USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 877 hydrogens (128 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 NoAdj-H: A 17 MLY H2 : A 17 MLY N : A 16 PRO C :(H bumps) USER MOD NoAdj-H: A 34 MLY H2 : A 34 MLY N : A 33 GLY C :(H bumps) USER MOD NoAdj-H: A 35 MLY H2 : A 35 MLY N : A 34 MLY C :(H bumps) USER MOD NoAdj-H: A 44 MLY H2 : A 44 MLY N : A 43 ASN C :(H bumps) USER MOD NoAdj-H: A 44 MLY H : A 44 MLY N : A 43 ASN C :(H bumps) USER MOD NoAdj-H: A 47 MLY H2 : A 47 MLY N : A 46 PHE C :(H bumps) USER MOD NoAdj-H: A 52 MLY H2 : A 52 MLY N : A 51 GLY C :(H bumps) USER MOD NoAdj-H: A 73 MLY H2 : A 73 MLY N : A 72 ALA C :(H bumps) USER MOD NoAdj-H: A 105 MLY H2 : A 105 MLY N : A 104 LEU C :(H bumps) USER MOD NoAdj-H: A 105 MLY H : A 105 MLY N : A 104 LEU C :(H bumps) USER MOD Set 1.1: A 25 HIS :FLIP no HD1:sc= -1.27 F(o=-0.38,f=0.22) USER MOD Set 1.2: A 39 SER OG : rot -71:sc= 1.49 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN :FLIP amide:sc= -0.0125 F(o=-2.3!,f=-0.013) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ -141:sc= -0.152 (180deg=-0.992) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.0325 F(o=-2,f=-0.033) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0106 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.167 USER MOD Single : A 26 TYR OH : rot -38:sc= 1.24 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0279 USER MOD Single : A 29 MET CE :methyl -170:sc= 0 (180deg=-0.0721) USER MOD Single : A 38 SER OG : rot -150:sc= -0.526 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl -128:sc= 0 (180deg=-1.62!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.696 K(o=-0.7,f=-1.5) USER MOD Single : A 66 MET CE :methyl -177:sc= -2.99! (180deg=-3.14!) USER MOD Single : A 67 SER OG : rot -100:sc= 0.481 USER MOD Single : A 70 GLN :FLIP amide:sc= -0.617 F(o=-1.4,f=-0.62) USER MOD Single : A 75 THR OG1 : rot 71:sc= 0.734 USER MOD Single : A 77 SER OG : rot -76:sc= 1.28 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.26 X(o=-0.26,f=-0.0014) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 102:sc= 0.144 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -13.041 -16.700 -4.795 1.00 23.20 N ATOM 2 CA GLY A -3 -12.449 -15.439 -5.200 1.00 43.12 C ATOM 3 C GLY A -3 -11.557 -15.581 -6.430 1.00 10.33 C ATOM 4 O GLY A -3 -10.331 -15.534 -6.293 1.00 34.23 O ATOM 0 H1 GLY A -3 -14.021 -16.540 -4.486 1.00 23.20 H new ATOM 0 H2 GLY A -3 -13.034 -17.360 -5.598 1.00 23.20 H new ATOM 0 H3 GLY A -3 -12.492 -17.105 -4.010 1.00 23.20 H new ATOM 0 HA2 GLY A -3 -13.241 -14.720 -5.411 1.00 43.12 H new ATOM 0 HA3 GLY A -3 -11.863 -15.035 -4.375 1.00 43.12 H new ATOM 8 N PRO A -2 -12.138 -15.757 -7.658 1.00 43.42 N ATOM 9 CA PRO A -2 -11.359 -15.904 -8.903 1.00 72.12 C ATOM 10 C PRO A -2 -10.785 -14.576 -9.403 1.00 24.33 C ATOM 11 O PRO A -2 -11.425 -13.529 -9.276 1.00 1.42 O ATOM 12 CB PRO A -2 -12.381 -16.452 -9.918 1.00 65.32 C ATOM 13 CG PRO A -2 -13.620 -16.749 -9.136 1.00 23.11 C ATOM 14 CD PRO A -2 -13.583 -15.847 -7.939 1.00 3.14 C ATOM 0 HA PRO A -2 -10.495 -16.552 -8.753 1.00 72.12 H new ATOM 0 HB2 PRO A -2 -12.581 -15.723 -10.703 1.00 65.32 H new ATOM 0 HB3 PRO A -2 -12.003 -17.350 -10.406 1.00 65.32 H new ATOM 0 HG2 PRO A -2 -14.512 -16.565 -9.735 1.00 23.11 H new ATOM 0 HG3 PRO A -2 -13.649 -17.796 -8.834 1.00 23.11 H new ATOM 0 HD2 PRO A -2 -14.017 -14.870 -8.152 1.00 3.14 H new ATOM 0 HD3 PRO A -2 -14.136 -16.265 -7.098 1.00 3.14 H new ATOM 22 N SER A -1 -9.564 -14.640 -9.978 1.00 54.30 N ATOM 23 CA SER A -1 -8.840 -13.465 -10.523 1.00 74.21 C ATOM 24 C SER A -1 -8.491 -12.442 -9.436 1.00 44.31 C ATOM 25 O SER A -1 -9.313 -12.142 -8.565 1.00 24.24 O ATOM 26 CB SER A -1 -9.635 -12.779 -11.649 1.00 35.31 C ATOM 27 OG SER A -1 -9.869 -13.671 -12.724 1.00 34.24 O ATOM 0 H SER A -1 -9.047 -15.514 -10.079 1.00 54.30 H new ATOM 0 HA SER A -1 -7.908 -13.850 -10.937 1.00 74.21 H new ATOM 0 HB2 SER A -1 -10.586 -12.417 -11.259 1.00 35.31 H new ATOM 0 HB3 SER A -1 -9.086 -11.908 -12.008 1.00 35.31 H new ATOM 0 HG SER A -1 -10.377 -13.212 -13.425 1.00 34.24 H new ATOM 33 N MET A 0 -7.264 -11.915 -9.506 1.00 71.24 N ATOM 34 CA MET A 0 -6.782 -10.924 -8.541 1.00 20.33 C ATOM 35 C MET A 0 -6.924 -9.510 -9.097 1.00 73.21 C ATOM 36 O MET A 0 -6.747 -9.290 -10.300 1.00 22.03 O ATOM 37 CB MET A 0 -5.318 -11.193 -8.177 1.00 31.50 C ATOM 38 CG MET A 0 -5.119 -12.388 -7.254 1.00 40.30 C ATOM 39 SD MET A 0 -5.584 -13.951 -8.024 1.00 23.03 S ATOM 40 CE MET A 0 -5.213 -15.103 -6.704 1.00 60.20 C ATOM 0 H MET A 0 -6.584 -12.161 -10.226 1.00 71.24 H new ATOM 0 HA MET A 0 -7.392 -11.009 -7.642 1.00 20.33 H new ATOM 0 HB2 MET A 0 -4.751 -11.356 -9.093 1.00 31.50 H new ATOM 0 HB3 MET A 0 -4.904 -10.305 -7.699 1.00 31.50 H new ATOM 0 HG2 MET A 0 -4.074 -12.435 -6.949 1.00 40.30 H new ATOM 0 HG3 MET A 0 -5.709 -12.244 -6.349 1.00 40.30 H new ATOM 0 HE1 MET A 0 -5.449 -16.117 -7.029 1.00 60.20 H new ATOM 0 HE2 MET A 0 -4.154 -15.039 -6.452 1.00 60.20 H new ATOM 0 HE3 MET A 0 -5.810 -14.855 -5.826 1.00 60.20 H new ATOM 50 N GLY A 1 -7.246 -8.562 -8.211 1.00 60.01 N ATOM 51 CA GLY A 1 -7.413 -7.173 -8.615 1.00 13.55 C ATOM 52 C GLY A 1 -6.338 -6.258 -8.053 1.00 3.14 C ATOM 53 O GLY A 1 -6.634 -5.135 -7.636 1.00 44.31 O ATOM 0 H GLY A 1 -7.394 -8.735 -7.217 1.00 60.01 H new ATOM 0 HA2 GLY A 1 -7.401 -7.113 -9.703 1.00 13.55 H new ATOM 0 HA3 GLY A 1 -8.391 -6.820 -8.287 1.00 13.55 H new ATOM 57 N VAL A 2 -5.091 -6.741 -8.044 1.00 52.34 N ATOM 58 CA VAL A 2 -3.959 -5.965 -7.535 1.00 33.20 C ATOM 59 C VAL A 2 -2.731 -6.135 -8.452 1.00 63.10 C ATOM 60 O VAL A 2 -2.159 -7.225 -8.549 1.00 55.34 O ATOM 61 CB VAL A 2 -3.645 -6.321 -6.034 1.00 71.54 C ATOM 62 CG1 VAL A 2 -3.275 -7.793 -5.830 1.00 32.31 C ATOM 63 CG2 VAL A 2 -2.566 -5.410 -5.450 1.00 64.22 C ATOM 0 H VAL A 2 -4.841 -7.669 -8.385 1.00 52.34 H new ATOM 0 HA VAL A 2 -4.230 -4.909 -7.548 1.00 33.20 H new ATOM 0 HB VAL A 2 -4.574 -6.149 -5.490 1.00 71.54 H new ATOM 0 HG11 VAL A 2 -3.070 -7.974 -4.775 1.00 32.31 H new ATOM 0 HG12 VAL A 2 -4.103 -8.424 -6.152 1.00 32.31 H new ATOM 0 HG13 VAL A 2 -2.388 -8.030 -6.418 1.00 32.31 H new ATOM 0 HG21 VAL A 2 -2.378 -5.687 -4.413 1.00 64.22 H new ATOM 0 HG22 VAL A 2 -1.647 -5.518 -6.027 1.00 64.22 H new ATOM 0 HG23 VAL A 2 -2.902 -4.374 -5.493 1.00 64.22 H new ATOM 73 N GLN A 3 -2.354 -5.039 -9.123 1.00 54.51 N ATOM 74 CA GLN A 3 -1.209 -5.037 -10.039 1.00 12.04 C ATOM 75 C GLN A 3 -0.090 -4.144 -9.507 1.00 65.23 C ATOM 76 O GLN A 3 -0.273 -2.934 -9.346 1.00 65.11 O ATOM 77 CB GLN A 3 -1.627 -4.566 -11.441 1.00 73.14 C ATOM 78 CG GLN A 3 -2.629 -5.482 -12.137 1.00 31.23 C ATOM 79 CD GLN A 3 -4.064 -5.037 -11.929 1.00 1.13 C ATOM 80 OE1 GLN A 3 -4.670 -5.479 -10.834 1.00 52.13 O flip ATOM 81 NE2 GLN A 3 -4.619 -4.294 -12.739 1.00 15.44 N flip ATOM 0 H GLN A 3 -2.828 -4.139 -9.047 1.00 54.51 H new ATOM 0 HA GLN A 3 -0.841 -6.061 -10.109 1.00 12.04 H new ATOM 0 HB2 GLN A 3 -2.058 -3.568 -11.363 1.00 73.14 H new ATOM 0 HB3 GLN A 3 -0.736 -4.481 -12.064 1.00 73.14 H new ATOM 0 HG2 GLN A 3 -2.411 -5.509 -13.205 1.00 31.23 H new ATOM 0 HG3 GLN A 3 -2.509 -6.498 -11.762 1.00 31.23 H new ATOM 0 HE21 GLN A 3 -4.116 -3.977 -13.568 1.00 15.44 H new ATOM 0 HE22 GLN A 3 -5.581 -3.995 -12.581 1.00 15.44 H new ATOM 90 N VAL A 4 1.066 -4.754 -9.240 1.00 15.11 N ATOM 91 CA VAL A 4 2.225 -4.031 -8.720 1.00 21.25 C ATOM 92 C VAL A 4 3.332 -3.927 -9.783 1.00 0.04 C ATOM 93 O VAL A 4 3.689 -4.922 -10.422 1.00 62.43 O ATOM 94 CB VAL A 4 2.741 -4.683 -7.393 1.00 41.33 C ATOM 95 CG1 VAL A 4 3.262 -6.102 -7.606 1.00 50.31 C ATOM 96 CG2 VAL A 4 3.798 -3.819 -6.713 1.00 13.43 C ATOM 0 H VAL A 4 1.224 -5.752 -9.377 1.00 15.11 H new ATOM 0 HA VAL A 4 1.916 -3.014 -8.479 1.00 21.25 H new ATOM 0 HB VAL A 4 1.878 -4.748 -6.730 1.00 41.33 H new ATOM 0 HG11 VAL A 4 3.608 -6.509 -6.656 1.00 50.31 H new ATOM 0 HG12 VAL A 4 2.461 -6.728 -7.999 1.00 50.31 H new ATOM 0 HG13 VAL A 4 4.089 -6.083 -8.315 1.00 50.31 H new ATOM 0 HG21 VAL A 4 4.131 -4.305 -5.796 1.00 13.43 H new ATOM 0 HG22 VAL A 4 4.648 -3.688 -7.383 1.00 13.43 H new ATOM 0 HG23 VAL A 4 3.372 -2.845 -6.473 1.00 13.43 H new ATOM 106 N GLU A 5 3.857 -2.710 -9.949 1.00 43.11 N ATOM 107 CA GLU A 5 4.921 -2.437 -10.923 1.00 1.02 C ATOM 108 C GLU A 5 6.162 -1.913 -10.212 1.00 74.44 C ATOM 109 O GLU A 5 6.096 -0.912 -9.495 1.00 42.12 O ATOM 110 CB GLU A 5 4.474 -1.409 -11.986 1.00 22.54 C ATOM 111 CG GLU A 5 2.967 -1.309 -12.193 1.00 62.44 C ATOM 112 CD GLU A 5 2.597 -0.449 -13.385 1.00 45.30 C ATOM 113 OE1 GLU A 5 2.480 -0.998 -14.500 1.00 72.23 O ATOM 114 OE2 GLU A 5 2.423 0.774 -13.203 1.00 20.43 O ATOM 0 H GLU A 5 3.561 -1.891 -9.418 1.00 43.11 H new ATOM 0 HA GLU A 5 5.148 -3.376 -11.427 1.00 1.02 H new ATOM 0 HB2 GLU A 5 4.852 -0.427 -11.702 1.00 22.54 H new ATOM 0 HB3 GLU A 5 4.940 -1.667 -12.937 1.00 22.54 H new ATOM 0 HG2 GLU A 5 2.556 -2.309 -12.330 1.00 62.44 H new ATOM 0 HG3 GLU A 5 2.508 -0.896 -11.295 1.00 62.44 H new ATOM 121 N THR A 6 7.297 -2.589 -10.432 1.00 42.11 N ATOM 122 CA THR A 6 8.571 -2.208 -9.813 1.00 74.15 C ATOM 123 C THR A 6 9.199 -1.020 -10.544 1.00 12.12 C ATOM 124 O THR A 6 9.373 -1.047 -11.766 1.00 51.21 O ATOM 125 CB THR A 6 9.565 -3.401 -9.789 1.00 0.24 C ATOM 126 OG1 THR A 6 8.888 -4.590 -9.364 1.00 2.23 O ATOM 127 CG2 THR A 6 10.750 -3.143 -8.854 1.00 50.35 C ATOM 0 H THR A 6 7.358 -3.407 -11.038 1.00 42.11 H new ATOM 0 HA THR A 6 8.359 -1.916 -8.784 1.00 74.15 H new ATOM 0 HB THR A 6 9.950 -3.522 -10.802 1.00 0.24 H new ATOM 0 HG1 THR A 6 9.519 -5.339 -9.352 1.00 2.23 H new ATOM 0 HG21 THR A 6 11.419 -4.003 -8.869 1.00 50.35 H new ATOM 0 HG22 THR A 6 11.291 -2.257 -9.188 1.00 50.35 H new ATOM 0 HG23 THR A 6 10.385 -2.985 -7.839 1.00 50.35 H new ATOM 135 N ILE A 7 9.531 0.010 -9.768 1.00 11.44 N ATOM 136 CA ILE A 7 10.133 1.232 -10.301 1.00 72.43 C ATOM 137 C ILE A 7 11.602 1.328 -9.880 1.00 45.55 C ATOM 138 O ILE A 7 12.458 1.717 -10.680 1.00 31.04 O ATOM 139 CB ILE A 7 9.371 2.512 -9.842 1.00 21.20 C ATOM 140 CG1 ILE A 7 7.860 2.223 -9.726 1.00 42.50 C ATOM 141 CG2 ILE A 7 9.629 3.664 -10.822 1.00 0.24 C ATOM 142 CD1 ILE A 7 7.083 3.215 -8.875 1.00 14.43 C ATOM 0 H ILE A 7 9.392 0.022 -8.758 1.00 11.44 H new ATOM 0 HA ILE A 7 10.064 1.176 -11.387 1.00 72.43 H new ATOM 0 HB ILE A 7 9.740 2.807 -8.860 1.00 21.20 H new ATOM 0 HG12 ILE A 7 7.429 2.210 -10.727 1.00 42.50 H new ATOM 0 HG13 ILE A 7 7.727 1.225 -9.308 1.00 42.50 H new ATOM 0 HG21 ILE A 7 9.091 4.552 -10.490 1.00 0.24 H new ATOM 0 HG22 ILE A 7 10.697 3.879 -10.858 1.00 0.24 H new ATOM 0 HG23 ILE A 7 9.283 3.381 -11.816 1.00 0.24 H new ATOM 0 HD11 ILE A 7 6.031 2.930 -8.853 1.00 14.43 H new ATOM 0 HD12 ILE A 7 7.481 3.214 -7.860 1.00 14.43 H new ATOM 0 HD13 ILE A 7 7.179 4.214 -9.301 1.00 14.43 H new ATOM 154 N SER A 8 11.874 0.969 -8.620 1.00 5.12 N ATOM 155 CA SER A 8 13.227 1.003 -8.076 1.00 32.42 C ATOM 156 C SER A 8 13.559 -0.322 -7.381 1.00 21.20 C ATOM 157 O SER A 8 12.886 -0.695 -6.416 1.00 31.34 O ATOM 158 CB SER A 8 13.379 2.166 -7.093 1.00 74.32 C ATOM 159 OG SER A 8 14.743 2.416 -6.799 1.00 64.33 O ATOM 0 H SER A 8 11.166 0.650 -7.958 1.00 5.12 H new ATOM 0 HA SER A 8 13.925 1.149 -8.901 1.00 32.42 H new ATOM 0 HB2 SER A 8 12.925 3.063 -7.514 1.00 74.32 H new ATOM 0 HB3 SER A 8 12.842 1.939 -6.172 1.00 74.32 H new ATOM 0 HG SER A 8 14.810 3.165 -6.170 1.00 64.33 H new ATOM 165 N PRO A 9 14.602 -1.061 -7.862 1.00 51.01 N ATOM 166 CA PRO A 9 15.002 -2.351 -7.267 1.00 23.32 C ATOM 167 C PRO A 9 15.674 -2.203 -5.895 1.00 51.21 C ATOM 168 O PRO A 9 16.611 -1.414 -5.734 1.00 32.12 O ATOM 169 CB PRO A 9 15.981 -2.924 -8.299 1.00 21.35 C ATOM 170 CG PRO A 9 16.547 -1.738 -8.999 1.00 44.13 C ATOM 171 CD PRO A 9 15.455 -0.711 -9.030 1.00 61.42 C ATOM 0 HA PRO A 9 14.140 -2.990 -7.072 1.00 23.32 H new ATOM 0 HB2 PRO A 9 16.765 -3.508 -7.817 1.00 21.35 H new ATOM 0 HB3 PRO A 9 15.473 -3.588 -8.998 1.00 21.35 H new ATOM 0 HG2 PRO A 9 17.424 -1.358 -8.475 1.00 44.13 H new ATOM 0 HG3 PRO A 9 16.866 -1.997 -10.008 1.00 44.13 H new ATOM 0 HD2 PRO A 9 15.854 0.300 -8.945 1.00 61.42 H new ATOM 0 HD3 PRO A 9 14.893 -0.754 -9.963 1.00 61.42 H new ATOM 179 N GLY A 10 15.176 -2.970 -4.918 1.00 11.52 N ATOM 180 CA GLY A 10 15.718 -2.931 -3.568 1.00 4.35 C ATOM 181 C GLY A 10 16.719 -4.044 -3.320 1.00 44.33 C ATOM 182 O GLY A 10 17.730 -4.134 -4.023 1.00 23.33 O ATOM 0 H GLY A 10 14.401 -3.621 -5.043 1.00 11.52 H new ATOM 0 HA2 GLY A 10 16.199 -1.968 -3.399 1.00 4.35 H new ATOM 0 HA3 GLY A 10 14.903 -3.011 -2.849 1.00 4.35 H new ATOM 186 N ASP A 11 16.439 -4.892 -2.319 1.00 12.02 N ATOM 187 CA ASP A 11 17.315 -6.020 -1.984 1.00 21.40 C ATOM 188 C ASP A 11 17.010 -7.233 -2.871 1.00 61.45 C ATOM 189 O ASP A 11 17.928 -7.865 -3.403 1.00 53.40 O ATOM 190 CB ASP A 11 17.169 -6.392 -0.505 1.00 15.33 C ATOM 191 CG ASP A 11 17.869 -5.409 0.413 1.00 54.04 C ATOM 192 OD1 ASP A 11 19.117 -5.399 0.430 1.00 2.54 O ATOM 193 OD2 ASP A 11 17.169 -4.652 1.118 1.00 3.25 O ATOM 0 H ASP A 11 15.611 -4.816 -1.728 1.00 12.02 H new ATOM 0 HA ASP A 11 18.345 -5.714 -2.167 1.00 21.40 H new ATOM 0 HB2 ASP A 11 16.111 -6.435 -0.247 1.00 15.33 H new ATOM 0 HB3 ASP A 11 17.577 -7.390 -0.343 1.00 15.33 H new ATOM 198 N GLY A 12 15.713 -7.544 -3.018 1.00 11.03 N ATOM 199 CA GLY A 12 15.281 -8.667 -3.848 1.00 21.20 C ATOM 200 C GLY A 12 15.271 -10.003 -3.116 1.00 63.51 C ATOM 201 O GLY A 12 14.896 -11.025 -3.697 1.00 45.41 O ATOM 0 H GLY A 12 14.951 -7.032 -2.572 1.00 11.03 H new ATOM 0 HA2 GLY A 12 14.279 -8.463 -4.227 1.00 21.20 H new ATOM 0 HA3 GLY A 12 15.940 -8.742 -4.713 1.00 21.20 H new ATOM 205 N ARG A 13 15.684 -9.988 -1.843 1.00 44.41 N ATOM 206 CA ARG A 13 15.737 -11.203 -1.018 1.00 43.15 C ATOM 207 C ARG A 13 15.192 -10.954 0.399 1.00 71.41 C ATOM 208 O ARG A 13 15.171 -11.869 1.231 1.00 75.24 O ATOM 209 CB ARG A 13 17.181 -11.761 -0.959 1.00 13.14 C ATOM 210 CG ARG A 13 18.255 -10.741 -0.576 1.00 22.33 C ATOM 211 CD ARG A 13 19.653 -11.320 -0.730 1.00 60.10 C ATOM 212 NE ARG A 13 20.693 -10.346 -0.378 1.00 42.52 N ATOM 213 CZ ARG A 13 22.010 -10.545 -0.533 1.00 33.40 C ATOM 214 NH1 ARG A 13 22.480 -11.685 -1.037 1.00 20.42 N ATOM 215 NH2 ARG A 13 22.862 -9.593 -0.180 1.00 61.14 N ATOM 0 H ARG A 13 15.988 -9.143 -1.359 1.00 44.41 H new ATOM 0 HA ARG A 13 15.095 -11.947 -1.489 1.00 43.15 H new ATOM 0 HB2 ARG A 13 17.208 -12.581 -0.241 1.00 13.14 H new ATOM 0 HB3 ARG A 13 17.432 -12.181 -1.933 1.00 13.14 H new ATOM 0 HG2 ARG A 13 18.156 -9.854 -1.202 1.00 22.33 H new ATOM 0 HG3 ARG A 13 18.104 -10.421 0.455 1.00 22.33 H new ATOM 0 HD2 ARG A 13 19.752 -12.201 -0.096 1.00 60.10 H new ATOM 0 HD3 ARG A 13 19.798 -11.649 -1.759 1.00 60.10 H new ATOM 0 HE ARG A 13 20.392 -9.453 0.013 1.00 42.52 H new ATOM 0 HH11 ARG A 13 21.835 -12.425 -1.313 1.00 20.42 H new ATOM 0 HH12 ARG A 13 23.485 -11.818 -1.147 1.00 20.42 H new ATOM 0 HH21 ARG A 13 22.515 -8.716 0.207 1.00 61.14 H new ATOM 0 HH22 ARG A 13 23.865 -9.738 -0.295 1.00 61.14 H new ATOM 229 N THR A 14 14.742 -9.721 0.657 1.00 42.14 N ATOM 230 CA THR A 14 14.210 -9.348 1.961 1.00 3.41 C ATOM 231 C THR A 14 12.773 -8.832 1.820 1.00 32.20 C ATOM 232 O THR A 14 12.544 -7.645 1.564 1.00 15.22 O ATOM 233 CB THR A 14 15.107 -8.284 2.644 1.00 43.13 C ATOM 234 OG1 THR A 14 16.490 -8.571 2.395 1.00 71.40 O ATOM 235 CG2 THR A 14 14.875 -8.235 4.150 1.00 52.24 C ATOM 0 H THR A 14 14.738 -8.965 -0.028 1.00 42.14 H new ATOM 0 HA THR A 14 14.202 -10.236 2.594 1.00 3.41 H new ATOM 0 HB THR A 14 14.842 -7.315 2.220 1.00 43.13 H new ATOM 0 HG1 THR A 14 17.048 -7.892 2.829 1.00 71.40 H new ATOM 0 HG21 THR A 14 15.522 -7.478 4.593 1.00 52.24 H new ATOM 0 HG22 THR A 14 13.833 -7.985 4.350 1.00 52.24 H new ATOM 0 HG23 THR A 14 15.104 -9.208 4.585 1.00 52.24 H new ATOM 243 N PHE A 15 11.816 -9.748 1.972 1.00 33.20 N ATOM 244 CA PHE A 15 10.395 -9.416 1.869 1.00 11.33 C ATOM 245 C PHE A 15 9.747 -9.348 3.255 1.00 41.44 C ATOM 246 O PHE A 15 10.182 -10.054 4.170 1.00 72.11 O ATOM 247 CB PHE A 15 9.664 -10.455 1.011 1.00 23.11 C ATOM 248 CG PHE A 15 10.127 -10.505 -0.420 1.00 12.42 C ATOM 249 CD1 PHE A 15 11.280 -11.193 -0.767 1.00 65.13 C ATOM 250 CD2 PHE A 15 9.408 -9.864 -1.415 1.00 33.25 C ATOM 251 CE1 PHE A 15 11.707 -11.240 -2.079 1.00 21.24 C ATOM 252 CE2 PHE A 15 9.830 -9.907 -2.731 1.00 12.41 C ATOM 253 CZ PHE A 15 10.981 -10.596 -3.063 1.00 50.43 C ATOM 0 H PHE A 15 12.001 -10.732 2.168 1.00 33.20 H new ATOM 0 HA PHE A 15 10.314 -8.437 1.396 1.00 11.33 H new ATOM 0 HB2 PHE A 15 9.797 -11.439 1.459 1.00 23.11 H new ATOM 0 HB3 PHE A 15 8.596 -10.239 1.029 1.00 23.11 H new ATOM 0 HD1 PHE A 15 11.851 -11.698 -0.002 1.00 65.13 H new ATOM 0 HD2 PHE A 15 8.508 -9.325 -1.160 1.00 33.25 H new ATOM 0 HE1 PHE A 15 12.607 -11.779 -2.336 1.00 21.24 H new ATOM 0 HE2 PHE A 15 9.261 -9.403 -3.498 1.00 12.41 H new ATOM 0 HZ PHE A 15 11.313 -10.631 -4.090 1.00 50.43 H new ATOM 263 N PRO A 16 8.690 -8.497 3.439 1.00 13.34 N ATOM 264 CA PRO A 16 7.994 -8.367 4.733 1.00 31.25 C ATOM 265 C PRO A 16 7.276 -9.656 5.147 1.00 31.31 C ATOM 266 O PRO A 16 6.483 -10.214 4.381 1.00 15.10 O ATOM 267 CB PRO A 16 6.988 -7.226 4.520 1.00 64.23 C ATOM 268 CG PRO A 16 6.879 -7.026 3.043 1.00 2.14 C ATOM 269 CD PRO A 16 8.124 -7.592 2.412 1.00 35.24 C ATOM 0 HA PRO A 16 8.699 -8.165 5.540 1.00 31.25 H new ATOM 0 HB2 PRO A 16 6.019 -7.478 4.950 1.00 64.23 H new ATOM 0 HB3 PRO A 16 7.327 -6.314 5.011 1.00 64.23 H new ATOM 0 HG2 PRO A 16 5.992 -7.525 2.654 1.00 2.14 H new ATOM 0 HG3 PRO A 16 6.778 -5.967 2.807 1.00 2.14 H new ATOM 0 HD2 PRO A 16 7.892 -8.132 1.494 1.00 35.24 H new ATOM 0 HD3 PRO A 16 8.828 -6.803 2.149 1.00 35.24 H new HETATM 277 N MLY A 17 7.575 -10.113 6.367 1.00 65.54 N HETATM 278 CA MLY A 17 6.996 -11.344 6.918 1.00 1.40 C HETATM 279 CB MLY A 17 7.990 -12.012 7.882 1.00 3.13 C HETATM 280 CG MLY A 17 9.342 -12.338 7.259 1.00 4.51 C HETATM 281 CD MLY A 17 10.249 -13.065 8.244 1.00 62.24 C HETATM 282 CE MLY A 17 11.726 -12.801 7.967 1.00 72.30 C HETATM 283 NZ MLY A 17 12.185 -13.632 6.840 1.00 51.13 N HETATM 284 CH1 MLY A 17 13.270 -14.518 7.289 1.00 21.43 C HETATM 285 CH2 MLY A 17 12.680 -12.765 5.758 1.00 4.23 C HETATM 286 C MLY A 17 5.677 -11.068 7.637 1.00 62.13 C HETATM 287 O MLY A 17 5.418 -9.942 8.073 1.00 41.31 O HETATM 0 HH23 MLY A 17 11.877 -12.109 5.421 1.00 4.23 H new HETATM 0 HH22 MLY A 17 13.511 -12.162 6.126 1.00 4.23 H new HETATM 0 HH21 MLY A 17 13.019 -13.381 4.925 1.00 4.23 H new HETATM 0 HH13 MLY A 17 14.101 -13.917 7.657 1.00 21.43 H new HETATM 0 HH12 MLY A 17 12.906 -15.163 8.089 1.00 21.43 H new HETATM 0 HH11 MLY A 17 13.608 -15.132 6.454 1.00 21.43 H new HETATM 0 HG3 MLY A 17 9.196 -12.956 6.373 1.00 4.51 H new HETATM 0 HG2 MLY A 17 9.824 -11.417 6.930 1.00 4.51 H new HETATM 0 HE3 MLY A 17 11.878 -11.746 7.737 1.00 72.30 H new HETATM 0 HE2 MLY A 17 12.316 -13.022 8.856 1.00 72.30 H new HETATM 0 HD3 MLY A 17 10.009 -12.748 9.259 1.00 62.24 H new HETATM 0 HD2 MLY A 17 10.056 -14.137 8.190 1.00 62.24 H new HETATM 0 HB3 MLY A 17 8.146 -11.355 8.738 1.00 3.13 H new HETATM 0 HB2 MLY A 17 7.547 -12.932 8.263 1.00 3.13 H new HETATM 0 HA MLY A 17 6.792 -12.018 6.086 1.00 1.40 H new HETATM 0 H MLY A 17 8.513 -9.822 6.644 1.00 65.54 H new ATOM 304 N ARG A 18 4.850 -12.117 7.753 1.00 75.42 N ATOM 305 CA ARG A 18 3.542 -12.033 8.407 1.00 34.53 C ATOM 306 C ARG A 18 3.688 -12.030 9.938 1.00 50.25 C ATOM 307 O ARG A 18 4.306 -12.933 10.512 1.00 2.04 O ATOM 308 CB ARG A 18 2.675 -13.213 7.942 1.00 61.11 C ATOM 309 CG ARG A 18 1.181 -13.053 8.211 1.00 12.50 C ATOM 310 CD ARG A 18 0.406 -14.290 7.783 1.00 23.10 C ATOM 311 NE ARG A 18 -1.035 -14.147 8.019 1.00 72.31 N ATOM 312 CZ ARG A 18 -1.911 -15.162 8.036 1.00 24.01 C ATOM 313 NH1 ARG A 18 -1.514 -16.417 7.833 1.00 2.12 N ATOM 314 NH2 ARG A 18 -3.194 -14.915 8.260 1.00 35.44 N ATOM 0 H ARG A 18 5.072 -13.046 7.395 1.00 75.42 H new ATOM 0 HA ARG A 18 3.060 -11.096 8.127 1.00 34.53 H new ATOM 0 HB2 ARG A 18 2.824 -13.356 6.872 1.00 61.11 H new ATOM 0 HB3 ARG A 18 3.024 -14.120 8.436 1.00 61.11 H new ATOM 0 HG2 ARG A 18 1.018 -12.869 9.273 1.00 12.50 H new ATOM 0 HG3 ARG A 18 0.804 -12.182 7.675 1.00 12.50 H new ATOM 0 HD2 ARG A 18 0.583 -14.480 6.724 1.00 23.10 H new ATOM 0 HD3 ARG A 18 0.778 -15.157 8.329 1.00 23.10 H new ATOM 0 HE ARG A 18 -1.397 -13.207 8.182 1.00 72.31 H new ATOM 0 HH11 ARG A 18 -0.529 -16.619 7.661 1.00 2.12 H new ATOM 0 HH12 ARG A 18 -2.195 -17.176 7.850 1.00 2.12 H new ATOM 0 HH21 ARG A 18 -3.509 -13.958 8.418 1.00 35.44 H new ATOM 0 HH22 ARG A 18 -3.866 -15.682 8.274 1.00 35.44 H new ATOM 328 N GLY A 19 3.115 -11.003 10.575 1.00 24.02 N ATOM 329 CA GLY A 19 3.177 -10.878 12.027 1.00 64.12 C ATOM 330 C GLY A 19 3.974 -9.669 12.492 1.00 64.12 C ATOM 331 O GLY A 19 3.698 -9.120 13.562 1.00 0.22 O ATOM 0 H GLY A 19 2.607 -10.253 10.107 1.00 24.02 H new ATOM 0 HA2 GLY A 19 2.164 -10.811 12.423 1.00 64.12 H new ATOM 0 HA3 GLY A 19 3.623 -11.781 12.444 1.00 64.12 H new ATOM 335 N GLN A 20 4.961 -9.258 11.687 1.00 1.30 N ATOM 336 CA GLN A 20 5.813 -8.108 12.011 1.00 31.02 C ATOM 337 C GLN A 20 5.323 -6.844 11.298 1.00 45.43 C ATOM 338 O GLN A 20 4.589 -6.926 10.308 1.00 32.11 O ATOM 339 CB GLN A 20 7.291 -8.391 11.663 1.00 72.14 C ATOM 340 CG GLN A 20 7.512 -9.165 10.364 1.00 0.44 C ATOM 341 CD GLN A 20 8.668 -8.622 9.553 1.00 23.22 C ATOM 342 OE1 GLN A 20 8.373 -7.671 8.677 1.00 53.30 O flip ATOM 343 NE2 GLN A 20 9.811 -9.050 9.712 1.00 33.54 N flip ATOM 0 H GLN A 20 5.190 -9.708 10.801 1.00 1.30 H new ATOM 0 HA GLN A 20 5.746 -7.941 13.086 1.00 31.02 H new ATOM 0 HB2 GLN A 20 7.821 -7.441 11.597 1.00 72.14 H new ATOM 0 HB3 GLN A 20 7.741 -8.951 12.483 1.00 72.14 H new ATOM 0 HG2 GLN A 20 7.697 -10.214 10.597 1.00 0.44 H new ATOM 0 HG3 GLN A 20 6.603 -9.128 9.764 1.00 0.44 H new ATOM 0 HE21 GLN A 20 9.990 -9.783 10.398 1.00 33.54 H new ATOM 0 HE22 GLN A 20 10.579 -8.672 9.157 1.00 33.54 H new ATOM 352 N THR A 21 5.741 -5.678 11.813 1.00 41.53 N ATOM 353 CA THR A 21 5.349 -4.382 11.250 1.00 5.30 C ATOM 354 C THR A 21 6.221 -4.005 10.049 1.00 73.13 C ATOM 355 O THR A 21 7.416 -4.315 10.016 1.00 42.40 O ATOM 356 CB THR A 21 5.426 -3.250 12.303 1.00 62.42 C ATOM 357 OG1 THR A 21 5.343 -3.791 13.630 1.00 0.54 O ATOM 358 CG2 THR A 21 4.300 -2.241 12.105 1.00 71.14 C ATOM 0 H THR A 21 6.355 -5.609 12.625 1.00 41.53 H new ATOM 0 HA THR A 21 4.315 -4.491 10.923 1.00 5.30 H new ATOM 0 HB THR A 21 6.383 -2.745 12.174 1.00 62.42 H new ATOM 0 HG1 THR A 21 5.395 -3.063 14.284 1.00 0.54 H new ATOM 0 HG21 THR A 21 4.378 -1.457 12.858 1.00 71.14 H new ATOM 0 HG22 THR A 21 4.378 -1.799 11.112 1.00 71.14 H new ATOM 0 HG23 THR A 21 3.338 -2.745 12.204 1.00 71.14 H new ATOM 366 N CYS A 22 5.601 -3.334 9.074 1.00 42.51 N ATOM 367 CA CYS A 22 6.285 -2.902 7.862 1.00 32.11 C ATOM 368 C CYS A 22 6.229 -1.384 7.729 1.00 1.42 C ATOM 369 O CYS A 22 5.149 -0.795 7.608 1.00 21.41 O ATOM 370 CB CYS A 22 5.658 -3.566 6.630 1.00 52.32 C ATOM 371 SG CYS A 22 6.560 -3.271 5.091 1.00 70.12 S ATOM 0 H CYS A 22 4.614 -3.078 9.107 1.00 42.51 H new ATOM 0 HA CYS A 22 7.330 -3.206 7.929 1.00 32.11 H new ATOM 0 HB2 CYS A 22 5.596 -4.641 6.802 1.00 52.32 H new ATOM 0 HB3 CYS A 22 4.637 -3.203 6.515 1.00 52.32 H new ATOM 0 HG CYS A 22 5.955 -3.873 4.111 1.00 70.12 H new ATOM 377 N VAL A 23 7.409 -0.761 7.769 1.00 22.12 N ATOM 378 CA VAL A 23 7.539 0.697 7.647 1.00 41.54 C ATOM 379 C VAL A 23 7.697 1.079 6.173 1.00 42.33 C ATOM 380 O VAL A 23 8.726 0.786 5.554 1.00 53.12 O ATOM 381 CB VAL A 23 8.746 1.248 8.466 1.00 23.33 C ATOM 382 CG1 VAL A 23 8.719 2.772 8.546 1.00 63.04 C ATOM 383 CG2 VAL A 23 8.800 0.628 9.861 1.00 4.23 C ATOM 0 H VAL A 23 8.298 -1.247 7.886 1.00 22.12 H new ATOM 0 HA VAL A 23 6.633 1.145 8.054 1.00 41.54 H new ATOM 0 HB VAL A 23 9.655 0.961 7.937 1.00 23.33 H new ATOM 0 HG11 VAL A 23 9.575 3.121 9.124 1.00 63.04 H new ATOM 0 HG12 VAL A 23 8.765 3.190 7.540 1.00 63.04 H new ATOM 0 HG13 VAL A 23 7.798 3.095 9.031 1.00 63.04 H new ATOM 0 HG21 VAL A 23 9.653 1.033 10.406 1.00 4.23 H new ATOM 0 HG22 VAL A 23 7.881 0.862 10.399 1.00 4.23 H new ATOM 0 HG23 VAL A 23 8.905 -0.453 9.775 1.00 4.23 H new ATOM 393 N VAL A 24 6.664 1.728 5.620 1.00 14.00 N ATOM 394 CA VAL A 24 6.669 2.141 4.213 1.00 22.54 C ATOM 395 C VAL A 24 5.887 3.440 4.007 1.00 24.45 C ATOM 396 O VAL A 24 4.964 3.749 4.766 1.00 4.04 O ATOM 397 CB VAL A 24 6.098 1.041 3.250 1.00 30.52 C ATOM 398 CG1 VAL A 24 6.991 -0.191 3.219 1.00 13.53 C ATOM 399 CG2 VAL A 24 4.678 0.621 3.617 1.00 42.42 C ATOM 0 H VAL A 24 5.815 1.978 6.127 1.00 14.00 H new ATOM 0 HA VAL A 24 7.717 2.300 3.961 1.00 22.54 H new ATOM 0 HB VAL A 24 6.075 1.497 2.260 1.00 30.52 H new ATOM 0 HG11 VAL A 24 6.565 -0.932 2.542 1.00 13.53 H new ATOM 0 HG12 VAL A 24 7.985 0.089 2.871 1.00 13.53 H new ATOM 0 HG13 VAL A 24 7.063 -0.614 4.221 1.00 13.53 H new ATOM 0 HG21 VAL A 24 4.332 -0.141 2.919 1.00 42.42 H new ATOM 0 HG22 VAL A 24 4.668 0.217 4.629 1.00 42.42 H new ATOM 0 HG23 VAL A 24 4.018 1.487 3.565 1.00 42.42 H new ATOM 409 N HIS A 25 6.275 4.182 2.971 1.00 54.10 N ATOM 410 CA HIS A 25 5.622 5.436 2.610 1.00 74.10 C ATOM 411 C HIS A 25 4.705 5.198 1.410 1.00 33.22 C ATOM 412 O HIS A 25 5.151 4.687 0.377 1.00 41.11 O ATOM 413 CB HIS A 25 6.683 6.489 2.285 1.00 2.24 C ATOM 414 CG HIS A 25 7.044 7.373 3.440 1.00 65.32 C ATOM 415 ND1 HIS A 25 8.199 7.456 4.154 1.00 75.02 N flip ATOM 416 CD2 HIS A 25 6.195 8.309 3.986 1.00 75.31 C flip ATOM 417 CE1 HIS A 25 8.062 8.435 5.131 1.00 31.32 C flip ATOM 418 NE2 HIS A 25 6.845 8.916 4.989 1.00 4.31 N flip ATOM 0 H HIS A 25 7.051 3.929 2.359 1.00 54.10 H new ATOM 0 HA HIS A 25 5.020 5.799 3.443 1.00 74.10 H new ATOM 0 HB2 HIS A 25 7.583 5.985 1.932 1.00 2.24 H new ATOM 0 HB3 HIS A 25 6.323 7.110 1.465 1.00 2.24 H new ATOM 0 HD2 HIS A 25 5.185 8.517 3.664 1.00 75.31 H new ATOM 0 HE1 HIS A 25 8.802 8.739 5.857 1.00 31.32 H new ATOM 0 HE2 HIS A 25 6.447 9.656 5.568 1.00 4.31 H new ATOM 426 N TYR A 26 3.427 5.564 1.554 1.00 62.35 N ATOM 427 CA TYR A 26 2.442 5.358 0.490 1.00 21.44 C ATOM 428 C TYR A 26 1.899 6.671 -0.082 1.00 74.34 C ATOM 429 O TYR A 26 2.093 7.747 0.493 1.00 64.11 O ATOM 430 CB TYR A 26 1.291 4.466 1.004 1.00 4.12 C ATOM 431 CG TYR A 26 0.387 5.097 2.050 1.00 41.22 C ATOM 432 CD1 TYR A 26 -0.703 5.872 1.672 1.00 24.15 C ATOM 433 CD2 TYR A 26 0.619 4.907 3.404 1.00 5.22 C ATOM 434 CE1 TYR A 26 -1.536 6.441 2.613 1.00 73.10 C ATOM 435 CE2 TYR A 26 -0.212 5.475 4.354 1.00 12.01 C ATOM 436 CZ TYR A 26 -1.287 6.239 3.953 1.00 12.10 C ATOM 437 OH TYR A 26 -2.114 6.802 4.897 1.00 1.22 O ATOM 0 H TYR A 26 3.052 6.003 2.395 1.00 62.35 H new ATOM 0 HA TYR A 26 2.953 4.855 -0.331 1.00 21.44 H new ATOM 0 HB2 TYR A 26 0.679 4.168 0.153 1.00 4.12 H new ATOM 0 HB3 TYR A 26 1.720 3.556 1.422 1.00 4.12 H new ATOM 0 HD1 TYR A 26 -0.901 6.032 0.622 1.00 24.15 H new ATOM 0 HD2 TYR A 26 1.460 4.308 3.721 1.00 5.22 H new ATOM 0 HE1 TYR A 26 -2.378 7.041 2.301 1.00 73.10 H new ATOM 0 HE2 TYR A 26 -0.019 5.320 5.405 1.00 12.01 H new ATOM 0 HH TYR A 26 -2.386 7.696 4.602 1.00 1.22 H new ATOM 447 N THR A 27 1.214 6.546 -1.228 1.00 54.44 N ATOM 448 CA THR A 27 0.594 7.672 -1.919 1.00 13.54 C ATOM 449 C THR A 27 -0.658 7.185 -2.658 1.00 42.43 C ATOM 450 O THR A 27 -0.557 6.434 -3.636 1.00 34.01 O ATOM 451 CB THR A 27 1.574 8.344 -2.922 1.00 41.24 C ATOM 452 OG1 THR A 27 2.893 8.402 -2.364 1.00 5.33 O ATOM 453 CG2 THR A 27 1.125 9.756 -3.279 1.00 10.41 C ATOM 0 H THR A 27 1.077 5.652 -1.700 1.00 54.44 H new ATOM 0 HA THR A 27 0.322 8.420 -1.175 1.00 13.54 H new ATOM 0 HB THR A 27 1.579 7.738 -3.828 1.00 41.24 H new ATOM 0 HG1 THR A 27 3.501 8.826 -3.005 1.00 5.33 H new ATOM 0 HG21 THR A 27 1.833 10.196 -3.982 1.00 10.41 H new ATOM 0 HG22 THR A 27 0.136 9.719 -3.735 1.00 10.41 H new ATOM 0 HG23 THR A 27 1.085 10.364 -2.376 1.00 10.41 H new ATOM 461 N GLY A 28 -1.830 7.609 -2.173 1.00 62.24 N ATOM 462 CA GLY A 28 -3.092 7.203 -2.787 1.00 22.33 C ATOM 463 C GLY A 28 -3.613 8.214 -3.796 1.00 23.41 C ATOM 464 O GLY A 28 -3.895 9.362 -3.445 1.00 74.50 O ATOM 0 H GLY A 28 -1.928 8.226 -1.367 1.00 62.24 H new ATOM 0 HA2 GLY A 28 -2.956 6.241 -3.281 1.00 22.33 H new ATOM 0 HA3 GLY A 28 -3.839 7.058 -2.007 1.00 22.33 H new ATOM 468 N MET A 29 -3.743 7.766 -5.048 1.00 72.23 N ATOM 469 CA MET A 29 -4.218 8.608 -6.150 1.00 35.31 C ATOM 470 C MET A 29 -5.358 7.937 -6.900 1.00 35.15 C ATOM 471 O MET A 29 -5.269 6.758 -7.256 1.00 40.34 O ATOM 472 CB MET A 29 -3.069 8.901 -7.120 1.00 63.22 C ATOM 473 CG MET A 29 -2.038 9.886 -6.589 1.00 23.45 C ATOM 474 SD MET A 29 -0.497 9.869 -7.534 1.00 60.11 S ATOM 475 CE MET A 29 0.274 8.356 -6.948 1.00 24.43 C ATOM 0 H MET A 29 -3.522 6.810 -5.326 1.00 72.23 H new ATOM 0 HA MET A 29 -4.586 9.542 -5.725 1.00 35.31 H new ATOM 0 HB2 MET A 29 -2.568 7.965 -7.365 1.00 63.22 H new ATOM 0 HB3 MET A 29 -3.484 9.292 -8.049 1.00 63.22 H new ATOM 0 HG2 MET A 29 -2.459 10.891 -6.609 1.00 23.45 H new ATOM 0 HG3 MET A 29 -1.822 9.651 -5.547 1.00 23.45 H new ATOM 0 HE1 MET A 29 1.302 8.308 -7.308 1.00 24.43 H new ATOM 0 HE2 MET A 29 0.270 8.344 -5.858 1.00 24.43 H new ATOM 0 HE3 MET A 29 -0.282 7.496 -7.322 1.00 24.43 H new ATOM 485 N LEU A 30 -6.436 8.705 -7.132 1.00 40.05 N ATOM 486 CA LEU A 30 -7.617 8.221 -7.866 1.00 32.04 C ATOM 487 C LEU A 30 -7.258 7.746 -9.283 1.00 0.41 C ATOM 488 O LEU A 30 -6.131 7.952 -9.746 1.00 4.33 O ATOM 489 CB LEU A 30 -8.670 9.340 -7.954 1.00 20.24 C ATOM 490 CG LEU A 30 -9.659 9.419 -6.787 1.00 42.34 C ATOM 491 CD1 LEU A 30 -10.302 10.796 -6.728 1.00 34.14 C ATOM 492 CD2 LEU A 30 -10.732 8.343 -6.910 1.00 0.13 C ATOM 0 H LEU A 30 -6.513 9.672 -6.818 1.00 40.05 H new ATOM 0 HA LEU A 30 -8.018 7.369 -7.318 1.00 32.04 H new ATOM 0 HB2 LEU A 30 -8.151 10.296 -8.031 1.00 20.24 H new ATOM 0 HB3 LEU A 30 -9.236 9.209 -8.876 1.00 20.24 H new ATOM 0 HG LEU A 30 -9.106 9.249 -5.863 1.00 42.34 H new ATOM 0 HD11 LEU A 30 -11.002 10.835 -5.893 1.00 34.14 H new ATOM 0 HD12 LEU A 30 -9.530 11.553 -6.590 1.00 34.14 H new ATOM 0 HD13 LEU A 30 -10.836 10.988 -7.659 1.00 34.14 H new ATOM 0 HD21 LEU A 30 -11.422 8.420 -6.070 1.00 0.13 H new ATOM 0 HD22 LEU A 30 -11.279 8.480 -7.843 1.00 0.13 H new ATOM 0 HD23 LEU A 30 -10.263 7.359 -6.906 1.00 0.13 H new ATOM 504 N GLU A 31 -8.231 7.112 -9.966 1.00 10.33 N ATOM 505 CA GLU A 31 -8.052 6.609 -11.335 1.00 40.43 C ATOM 506 C GLU A 31 -7.615 7.719 -12.304 1.00 13.34 C ATOM 507 O GLU A 31 -6.972 7.447 -13.322 1.00 3.22 O ATOM 508 CB GLU A 31 -9.358 5.982 -11.821 1.00 23.24 C ATOM 509 CG GLU A 31 -9.148 4.749 -12.671 1.00 62.31 C ATOM 510 CD GLU A 31 -10.450 4.116 -13.121 1.00 4.43 C ATOM 511 OE1 GLU A 31 -10.964 3.238 -12.397 1.00 71.15 O ATOM 512 OE2 GLU A 31 -10.955 4.498 -14.197 1.00 72.00 O ATOM 0 H GLU A 31 -9.160 6.936 -9.582 1.00 10.33 H new ATOM 0 HA GLU A 31 -7.260 5.860 -11.316 1.00 40.43 H new ATOM 0 HB2 GLU A 31 -9.971 5.720 -10.958 1.00 23.24 H new ATOM 0 HB3 GLU A 31 -9.916 6.721 -12.396 1.00 23.24 H new ATOM 0 HG2 GLU A 31 -8.556 5.014 -13.547 1.00 62.31 H new ATOM 0 HG3 GLU A 31 -8.570 4.018 -12.106 1.00 62.31 H new ATOM 519 N ASP A 32 -7.977 8.962 -11.965 1.00 34.23 N ATOM 520 CA ASP A 32 -7.627 10.131 -12.767 1.00 2.24 C ATOM 521 C ASP A 32 -6.272 10.720 -12.350 1.00 23.33 C ATOM 522 O ASP A 32 -5.678 11.493 -13.109 1.00 53.30 O ATOM 523 CB ASP A 32 -8.716 11.197 -12.638 1.00 52.51 C ATOM 524 CG ASP A 32 -9.975 10.841 -13.406 1.00 32.21 C ATOM 525 OD1 ASP A 32 -10.863 10.188 -12.820 1.00 41.21 O ATOM 526 OD2 ASP A 32 -10.072 11.217 -14.593 1.00 44.13 O ATOM 0 H ASP A 32 -8.519 9.181 -11.129 1.00 34.23 H new ATOM 0 HA ASP A 32 -7.548 9.810 -13.806 1.00 2.24 H new ATOM 0 HB2 ASP A 32 -8.963 11.333 -11.585 1.00 52.51 H new ATOM 0 HB3 ASP A 32 -8.331 12.150 -13.001 1.00 52.51 H new ATOM 531 N GLY A 33 -5.788 10.356 -11.147 1.00 51.42 N ATOM 532 CA GLY A 33 -4.500 10.853 -10.678 1.00 4.22 C ATOM 533 C GLY A 33 -4.620 11.899 -9.585 1.00 24.43 C ATOM 534 O GLY A 33 -3.639 12.584 -9.278 1.00 35.01 O ATOM 0 H GLY A 33 -6.267 9.730 -10.499 1.00 51.42 H new ATOM 0 HA2 GLY A 33 -3.909 10.016 -10.306 1.00 4.22 H new ATOM 0 HA3 GLY A 33 -3.955 11.279 -11.520 1.00 4.22 H new HETATM 538 N MLY A 34 -5.818 12.024 -8.998 1.00 33.34 N HETATM 539 CA MLY A 34 -6.059 12.990 -7.928 1.00 10.41 C HETATM 540 CB MLY A 34 -7.486 13.542 -8.005 1.00 31.10 C HETATM 541 CG MLY A 34 -7.686 14.558 -9.125 1.00 32.53 C HETATM 542 CD MLY A 34 -8.801 15.548 -8.806 1.00 45.44 C HETATM 543 CE MLY A 34 -8.245 16.894 -8.357 1.00 24.42 C HETATM 544 NZ MLY A 34 -9.351 17.831 -8.097 1.00 25.53 N HETATM 545 CH1 MLY A 34 -9.227 18.999 -8.983 1.00 63.25 C HETATM 546 CH2 MLY A 34 -9.302 18.275 -6.695 1.00 35.50 C HETATM 547 C MLY A 34 -5.815 12.335 -6.574 1.00 13.44 C HETATM 548 O MLY A 34 -6.489 11.361 -6.219 1.00 42.22 O HETATM 0 HH23 MLY A 34 -9.396 17.412 -6.036 1.00 35.50 H new HETATM 0 HH22 MLY A 34 -8.352 18.774 -6.504 1.00 35.50 H new HETATM 0 HH21 MLY A 34 -10.121 18.968 -6.504 1.00 35.50 H new HETATM 0 HH13 MLY A 34 -8.277 19.499 -8.795 1.00 63.25 H new HETATM 0 HH12 MLY A 34 -9.266 18.673 -10.022 1.00 63.25 H new HETATM 0 HH11 MLY A 34 -10.046 19.691 -8.789 1.00 63.25 H new HETATM 0 HG3 MLY A 34 -6.756 15.101 -9.292 1.00 32.53 H new HETATM 0 HG2 MLY A 34 -7.920 14.034 -10.052 1.00 32.53 H new HETATM 0 HE3 MLY A 34 -7.645 16.767 -7.456 1.00 24.42 H new HETATM 0 HE2 MLY A 34 -7.586 17.300 -9.125 1.00 24.42 H new HETATM 0 HD3 MLY A 34 -9.427 15.688 -9.687 1.00 45.44 H new HETATM 0 HD2 MLY A 34 -9.439 15.138 -8.023 1.00 45.44 H new HETATM 0 HB3 MLY A 34 -8.180 12.714 -8.148 1.00 31.10 H new HETATM 0 HB2 MLY A 34 -7.738 14.008 -7.053 1.00 31.10 H new HETATM 0 HA MLY A 34 -5.367 13.823 -8.049 1.00 10.41 H new HETATM 0 H MLY A 34 -6.559 11.806 -9.664 1.00 33.34 H new HETATM 565 N MLY A 35 -4.839 12.867 -5.823 1.00 11.11 N HETATM 566 CA MLY A 35 -4.489 12.323 -4.513 1.00 61.33 C HETATM 567 CB MLY A 35 -3.219 12.953 -3.967 1.00 75.25 C HETATM 568 CG MLY A 35 -2.238 11.914 -3.467 1.00 53.41 C HETATM 569 CD MLY A 35 -1.228 12.504 -2.496 1.00 45.12 C HETATM 570 CE MLY A 35 -0.006 13.012 -3.232 1.00 62.43 C HETATM 571 NZ MLY A 35 0.935 13.663 -2.300 1.00 22.02 N HETATM 572 CH1 MLY A 35 1.041 15.095 -2.625 1.00 0.41 C HETATM 573 CH2 MLY A 35 2.264 13.043 -2.420 1.00 55.25 C HETATM 574 C MLY A 35 -5.596 12.487 -3.492 1.00 41.14 C HETATM 575 O MLY A 35 -6.344 13.469 -3.508 1.00 10.14 O HETATM 0 HH23 MLY A 35 2.194 11.982 -2.179 1.00 55.25 H new HETATM 0 HH22 MLY A 35 2.629 13.160 -3.440 1.00 55.25 H new HETATM 0 HH21 MLY A 35 2.955 13.527 -1.730 1.00 55.25 H new HETATM 0 HH13 MLY A 35 1.405 15.210 -3.646 1.00 0.41 H new HETATM 0 HH12 MLY A 35 0.060 15.562 -2.534 1.00 0.41 H new HETATM 0 HH11 MLY A 35 1.736 15.574 -1.936 1.00 0.41 H new HETATM 0 HG3 MLY A 35 -2.783 11.107 -2.977 1.00 53.41 H new HETATM 0 HG2 MLY A 35 -1.712 11.475 -4.315 1.00 53.41 H new HETATM 0 HE3 MLY A 35 0.490 12.183 -3.737 1.00 62.43 H new HETATM 0 HE2 MLY A 35 -0.309 13.720 -4.003 1.00 62.43 H new HETATM 0 HD3 MLY A 35 -1.687 13.320 -1.938 1.00 45.12 H new HETATM 0 HD2 MLY A 35 -0.932 11.748 -1.769 1.00 45.12 H new HETATM 0 HB3 MLY A 35 -2.747 13.551 -4.747 1.00 75.25 H new HETATM 0 HB2 MLY A 35 -3.473 13.633 -3.154 1.00 75.25 H new HETATM 0 HA MLY A 35 -4.329 11.257 -4.676 1.00 61.33 H new HETATM 0 H MLY A 35 -4.251 13.581 -6.252 1.00 11.11 H new ATOM 592 N PHE A 36 -5.675 11.498 -2.610 1.00 13.53 N ATOM 593 CA PHE A 36 -6.666 11.477 -1.551 1.00 33.32 C ATOM 594 C PHE A 36 -6.035 11.088 -0.207 1.00 4.15 C ATOM 595 O PHE A 36 -6.697 11.177 0.833 1.00 61.44 O ATOM 596 CB PHE A 36 -7.830 10.529 -1.924 1.00 44.41 C ATOM 597 CG PHE A 36 -7.447 9.090 -2.198 1.00 74.11 C ATOM 598 CD1 PHE A 36 -7.354 8.620 -3.497 1.00 13.01 C ATOM 599 CD2 PHE A 36 -7.209 8.210 -1.153 1.00 2.42 C ATOM 600 CE1 PHE A 36 -7.031 7.300 -3.751 1.00 1.12 C ATOM 601 CE2 PHE A 36 -6.881 6.892 -1.400 1.00 50.31 C ATOM 602 CZ PHE A 36 -6.793 6.435 -2.702 1.00 32.03 C ATOM 0 H PHE A 36 -5.052 10.690 -2.612 1.00 13.53 H new ATOM 0 HA PHE A 36 -7.070 12.483 -1.438 1.00 33.32 H new ATOM 0 HB2 PHE A 36 -8.559 10.543 -1.114 1.00 44.41 H new ATOM 0 HB3 PHE A 36 -8.329 10.927 -2.808 1.00 44.41 H new ATOM 0 HD1 PHE A 36 -7.536 9.293 -4.322 1.00 13.01 H new ATOM 0 HD2 PHE A 36 -7.281 8.560 -0.134 1.00 2.42 H new ATOM 0 HE1 PHE A 36 -6.965 6.946 -4.769 1.00 1.12 H new ATOM 0 HE2 PHE A 36 -6.693 6.218 -0.577 1.00 50.31 H new ATOM 0 HZ PHE A 36 -6.539 5.404 -2.898 1.00 32.03 H new ATOM 612 N ASP A 37 -4.749 10.658 -0.225 1.00 71.54 N ATOM 613 CA ASP A 37 -4.056 10.247 1.006 1.00 12.22 C ATOM 614 C ASP A 37 -2.546 10.150 0.793 1.00 5.44 C ATOM 615 O ASP A 37 -2.054 9.283 0.061 1.00 15.20 O ATOM 616 CB ASP A 37 -4.593 8.900 1.533 1.00 35.30 C ATOM 617 CG ASP A 37 -4.431 8.751 3.036 1.00 41.23 C ATOM 618 OD1 ASP A 37 -5.460 8.642 3.736 1.00 70.34 O ATOM 619 OD2 ASP A 37 -3.277 8.749 3.511 1.00 70.24 O ATOM 0 H ASP A 37 -4.183 10.590 -1.071 1.00 71.54 H new ATOM 0 HA ASP A 37 -4.254 11.018 1.750 1.00 12.22 H new ATOM 0 HB2 ASP A 37 -5.648 8.808 1.275 1.00 35.30 H new ATOM 0 HB3 ASP A 37 -4.070 8.085 1.033 1.00 35.30 H new ATOM 624 N SER A 38 -1.832 11.069 1.435 1.00 35.14 N ATOM 625 CA SER A 38 -0.368 11.111 1.384 1.00 72.05 C ATOM 626 C SER A 38 0.235 10.919 2.775 1.00 61.33 C ATOM 627 O SER A 38 -0.010 11.720 3.685 1.00 53.42 O ATOM 628 CB SER A 38 0.118 12.434 0.793 1.00 1.53 C ATOM 629 OG SER A 38 -0.621 13.532 1.304 1.00 1.21 O ATOM 0 H SER A 38 -2.247 11.806 2.005 1.00 35.14 H new ATOM 0 HA SER A 38 -0.039 10.294 0.742 1.00 72.05 H new ATOM 0 HB2 SER A 38 1.176 12.569 1.019 1.00 1.53 H new ATOM 0 HB3 SER A 38 0.026 12.405 -0.293 1.00 1.53 H new ATOM 0 HG SER A 38 -0.656 14.244 0.631 1.00 1.21 H new ATOM 635 N SER A 39 1.017 9.841 2.933 1.00 34.10 N ATOM 636 CA SER A 39 1.679 9.527 4.211 1.00 3.40 C ATOM 637 C SER A 39 2.939 10.379 4.439 1.00 71.04 C ATOM 638 O SER A 39 3.232 10.773 5.571 1.00 14.42 O ATOM 639 CB SER A 39 2.045 8.043 4.263 1.00 71.12 C ATOM 640 OG SER A 39 2.871 7.683 3.171 1.00 65.25 O ATOM 0 H SER A 39 1.208 9.169 2.190 1.00 34.10 H new ATOM 0 HA SER A 39 0.972 9.763 5.006 1.00 3.40 H new ATOM 0 HB2 SER A 39 2.559 7.825 5.199 1.00 71.12 H new ATOM 0 HB3 SER A 39 1.137 7.441 4.250 1.00 71.12 H new ATOM 0 HG SER A 39 2.345 7.696 2.344 1.00 65.25 H new ATOM 646 N ARG A 40 3.670 10.652 3.348 1.00 52.53 N ATOM 647 CA ARG A 40 4.917 11.441 3.391 1.00 1.22 C ATOM 648 C ARG A 40 4.665 12.953 3.531 1.00 23.13 C ATOM 649 O ARG A 40 5.544 13.683 3.999 1.00 22.12 O ATOM 650 CB ARG A 40 5.778 11.156 2.148 1.00 50.10 C ATOM 651 CG ARG A 40 5.036 11.335 0.826 1.00 40.44 C ATOM 652 CD ARG A 40 5.640 12.447 -0.019 1.00 34.30 C ATOM 653 NE ARG A 40 5.323 13.782 0.505 1.00 13.41 N ATOM 654 CZ ARG A 40 5.684 14.936 -0.076 1.00 54.32 C ATOM 655 NH1 ARG A 40 6.381 14.947 -1.211 1.00 24.54 N ATOM 656 NH2 ARG A 40 5.343 16.087 0.487 1.00 51.01 N ATOM 0 H ARG A 40 3.417 10.335 2.412 1.00 52.53 H new ATOM 0 HA ARG A 40 5.455 11.126 4.285 1.00 1.22 H new ATOM 0 HB2 ARG A 40 6.644 11.817 2.159 1.00 50.10 H new ATOM 0 HB3 ARG A 40 6.155 10.135 2.206 1.00 50.10 H new ATOM 0 HG2 ARG A 40 5.061 10.400 0.266 1.00 40.44 H new ATOM 0 HG3 ARG A 40 3.988 11.559 1.026 1.00 40.44 H new ATOM 0 HD2 ARG A 40 6.722 12.323 -0.059 1.00 34.30 H new ATOM 0 HD3 ARG A 40 5.272 12.364 -1.042 1.00 34.30 H new ATOM 0 HE ARG A 40 4.790 13.836 1.373 1.00 13.41 H new ATOM 0 HH11 ARG A 40 6.649 14.068 -1.653 1.00 24.54 H new ATOM 0 HH12 ARG A 40 6.646 15.835 -1.638 1.00 24.54 H new ATOM 0 HH21 ARG A 40 4.810 16.091 1.356 1.00 51.01 H new ATOM 0 HH22 ARG A 40 5.614 16.968 0.051 1.00 51.01 H new ATOM 670 N ASP A 41 3.467 13.416 3.123 1.00 23.13 N ATOM 671 CA ASP A 41 3.100 14.842 3.216 1.00 52.45 C ATOM 672 C ASP A 41 3.052 15.307 4.675 1.00 31.20 C ATOM 673 O ASP A 41 3.204 16.498 4.964 1.00 42.45 O ATOM 674 CB ASP A 41 1.753 15.098 2.539 1.00 64.34 C ATOM 675 CG ASP A 41 1.894 15.358 1.051 1.00 34.14 C ATOM 676 OD1 ASP A 41 2.339 14.444 0.324 1.00 51.32 O ATOM 677 OD2 ASP A 41 1.558 16.478 0.611 1.00 2.32 O ATOM 0 H ASP A 41 2.738 12.823 2.726 1.00 23.13 H new ATOM 0 HA ASP A 41 3.869 15.416 2.699 1.00 52.45 H new ATOM 0 HB2 ASP A 41 1.102 14.238 2.695 1.00 64.34 H new ATOM 0 HB3 ASP A 41 1.269 15.953 3.010 1.00 64.34 H new ATOM 682 N ARG A 42 2.837 14.344 5.578 1.00 55.15 N ATOM 683 CA ARG A 42 2.801 14.599 7.019 1.00 51.54 C ATOM 684 C ARG A 42 4.190 14.354 7.622 1.00 4.45 C ATOM 685 O ARG A 42 4.399 14.523 8.828 1.00 25.12 O ATOM 686 CB ARG A 42 1.765 13.694 7.703 1.00 71.30 C ATOM 687 CG ARG A 42 0.337 13.906 7.216 1.00 51.14 C ATOM 688 CD ARG A 42 -0.684 13.292 8.166 1.00 2.40 C ATOM 689 NE ARG A 42 -0.835 14.071 9.402 1.00 12.24 N ATOM 690 CZ ARG A 42 -1.716 13.798 10.374 1.00 53.41 C ATOM 691 NH1 ARG A 42 -2.546 12.760 10.281 1.00 24.54 N ATOM 692 NH2 ARG A 42 -1.765 14.572 11.450 1.00 13.42 N ATOM 0 H ARG A 42 2.683 13.367 5.329 1.00 55.15 H new ATOM 0 HA ARG A 42 2.513 15.637 7.183 1.00 51.54 H new ATOM 0 HB2 ARG A 42 2.043 12.653 7.539 1.00 71.30 H new ATOM 0 HB3 ARG A 42 1.800 13.867 8.779 1.00 71.30 H new ATOM 0 HG2 ARG A 42 0.143 14.974 7.115 1.00 51.14 H new ATOM 0 HG3 ARG A 42 0.222 13.466 6.225 1.00 51.14 H new ATOM 0 HD2 ARG A 42 -1.649 13.222 7.663 1.00 2.40 H new ATOM 0 HD3 ARG A 42 -0.380 12.275 8.415 1.00 2.40 H new ATOM 0 HE ARG A 42 -0.225 14.878 9.530 1.00 12.24 H new ATOM 0 HH11 ARG A 42 -2.518 12.157 9.459 1.00 24.54 H new ATOM 0 HH12 ARG A 42 -3.210 12.569 11.032 1.00 24.54 H new ATOM 0 HH21 ARG A 42 -1.134 15.369 11.534 1.00 13.42 H new ATOM 0 HH22 ARG A 42 -2.433 14.370 12.194 1.00 13.42 H new ATOM 706 N ASN A 43 5.144 13.961 6.744 1.00 54.33 N ATOM 707 CA ASN A 43 6.546 13.664 7.115 1.00 4.33 C ATOM 708 C ASN A 43 6.639 12.458 8.067 1.00 11.11 C ATOM 709 O ASN A 43 7.498 12.416 8.958 1.00 34.31 O ATOM 710 CB ASN A 43 7.240 14.903 7.725 1.00 24.02 C ATOM 711 CG ASN A 43 7.450 16.013 6.711 1.00 72.44 C ATOM 712 OD1 ASN A 43 6.594 16.882 6.538 1.00 40.11 O ATOM 713 ND2 ASN A 43 8.592 15.989 6.035 1.00 53.22 N ATOM 0 H ASN A 43 4.958 13.840 5.748 1.00 54.33 H new ATOM 0 HA ASN A 43 7.073 13.401 6.198 1.00 4.33 H new ATOM 0 HB2 ASN A 43 6.639 15.281 8.552 1.00 24.02 H new ATOM 0 HB3 ASN A 43 8.204 14.608 8.140 1.00 24.02 H new ATOM 0 HD21 ASN A 43 8.789 16.709 5.340 1.00 53.22 H new ATOM 0 HD22 ASN A 43 9.273 15.250 6.210 1.00 53.22 H new HETATM 720 N MLY A 44 5.758 11.462 7.854 1.00 34.54 N HETATM 721 CA MLY A 44 5.737 10.261 8.704 1.00 24.12 C HETATM 722 CB MLY A 44 4.758 10.431 9.871 1.00 25.45 C HETATM 723 CG MLY A 44 5.366 11.127 11.077 1.00 5.24 C HETATM 724 CD MLY A 44 4.299 11.550 12.074 1.00 1.13 C HETATM 725 CE MLY A 44 4.887 11.766 13.462 1.00 34.53 C HETATM 726 NZ MLY A 44 3.975 12.595 14.269 1.00 51.05 N HETATM 727 CH1 MLY A 44 4.666 13.824 14.689 1.00 12.22 C HETATM 728 CH2 MLY A 44 3.548 11.844 15.461 1.00 50.43 C HETATM 729 C MLY A 44 5.374 8.999 7.913 1.00 2.04 C HETATM 730 O MLY A 44 4.348 8.973 7.226 1.00 74.11 O HETATM 0 HH23 MLY A 44 3.033 10.934 15.153 1.00 50.43 H new HETATM 0 HH22 MLY A 44 4.421 11.581 16.058 1.00 50.43 H new HETATM 0 HH21 MLY A 44 2.873 12.459 16.056 1.00 50.43 H new HETATM 0 HH13 MLY A 44 5.541 13.564 15.285 1.00 12.22 H new HETATM 0 HH12 MLY A 44 4.980 14.384 13.808 1.00 12.22 H new HETATM 0 HH11 MLY A 44 3.990 14.436 15.286 1.00 12.22 H new HETATM 0 HG3 MLY A 44 6.076 10.459 11.564 1.00 5.24 H new HETATM 0 HG2 MLY A 44 5.926 12.003 10.749 1.00 5.24 H new HETATM 0 HE3 MLY A 44 5.049 10.806 13.952 1.00 34.53 H new HETATM 0 HE2 MLY A 44 5.860 12.251 13.383 1.00 34.53 H new HETATM 0 HD3 MLY A 44 3.824 12.469 11.732 1.00 1.13 H new HETATM 0 HD2 MLY A 44 3.521 10.788 12.122 1.00 1.13 H new HETATM 0 HB3 MLY A 44 3.894 11.001 9.530 1.00 25.45 H new HETATM 0 HB2 MLY A 44 4.393 9.450 10.174 1.00 25.45 H new HETATM 0 HA MLY A 44 6.748 10.139 9.094 1.00 24.12 H new ATOM 747 N PRO A 45 6.221 7.925 7.997 1.00 62.03 N ATOM 748 CA PRO A 45 5.972 6.649 7.301 1.00 10.31 C ATOM 749 C PRO A 45 4.852 5.828 7.953 1.00 72.54 C ATOM 750 O PRO A 45 4.543 6.019 9.133 1.00 63.34 O ATOM 751 CB PRO A 45 7.312 5.913 7.394 1.00 65.23 C ATOM 752 CG PRO A 45 8.006 6.486 8.586 1.00 52.33 C ATOM 753 CD PRO A 45 7.496 7.892 8.757 1.00 64.14 C ATOM 0 HA PRO A 45 5.636 6.810 6.276 1.00 10.31 H new ATOM 0 HB2 PRO A 45 7.162 4.839 7.507 1.00 65.23 H new ATOM 0 HB3 PRO A 45 7.902 6.059 6.489 1.00 65.23 H new ATOM 0 HG2 PRO A 45 7.801 5.890 9.475 1.00 52.33 H new ATOM 0 HG3 PRO A 45 9.086 6.482 8.442 1.00 52.33 H new ATOM 0 HD2 PRO A 45 7.337 8.130 9.809 1.00 64.14 H new ATOM 0 HD3 PRO A 45 8.207 8.621 8.369 1.00 64.14 H new ATOM 761 N PHE A 46 4.259 4.923 7.171 1.00 52.43 N ATOM 762 CA PHE A 46 3.159 4.086 7.647 1.00 12.42 C ATOM 763 C PHE A 46 3.627 2.675 8.016 1.00 54.51 C ATOM 764 O PHE A 46 4.141 1.932 7.173 1.00 73.33 O ATOM 765 CB PHE A 46 2.064 4.024 6.577 1.00 50.23 C ATOM 766 CG PHE A 46 0.706 3.634 7.103 1.00 55.12 C ATOM 767 CD1 PHE A 46 -0.147 4.583 7.646 1.00 52.33 C ATOM 768 CD2 PHE A 46 0.288 2.314 7.053 1.00 4.32 C ATOM 769 CE1 PHE A 46 -1.391 4.220 8.128 1.00 34.13 C ATOM 770 CE2 PHE A 46 -0.953 1.946 7.533 1.00 4.13 C ATOM 771 CZ PHE A 46 -1.794 2.900 8.071 1.00 10.44 C ATOM 0 H PHE A 46 4.525 4.752 6.201 1.00 52.43 H new ATOM 0 HA PHE A 46 2.761 4.538 8.556 1.00 12.42 H new ATOM 0 HB2 PHE A 46 1.988 4.998 6.094 1.00 50.23 H new ATOM 0 HB3 PHE A 46 2.362 3.310 5.809 1.00 50.23 H new ATOM 0 HD1 PHE A 46 0.164 5.616 7.693 1.00 52.33 H new ATOM 0 HD2 PHE A 46 0.941 1.563 6.633 1.00 4.32 H new ATOM 0 HE1 PHE A 46 -2.047 4.968 8.549 1.00 34.13 H new ATOM 0 HE2 PHE A 46 -1.266 0.913 7.488 1.00 4.13 H new ATOM 0 HZ PHE A 46 -2.765 2.614 8.447 1.00 10.44 H new HETATM 781 N MLY A 47 3.445 2.333 9.295 1.00 21.12 N HETATM 782 CA MLY A 47 3.805 1.016 9.827 1.00 63.34 C HETATM 783 CB MLY A 47 4.601 1.174 11.129 1.00 43.31 C HETATM 784 CG MLY A 47 5.555 2.356 11.100 1.00 32.35 C HETATM 785 CD MLY A 47 6.522 2.363 12.258 1.00 72.20 C HETATM 786 CE MLY A 47 7.718 3.224 11.909 1.00 42.23 C HETATM 787 NZ MLY A 47 8.598 3.382 13.079 1.00 35.31 N HETATM 788 CH1 MLY A 47 8.570 4.782 13.533 1.00 43.20 C HETATM 789 CH2 MLY A 47 9.973 3.018 12.710 1.00 74.45 C HETATM 790 C MLY A 47 2.544 0.195 10.077 1.00 63.22 C HETATM 791 O MLY A 47 1.584 0.698 10.668 1.00 51.34 O HETATM 0 HH23 MLY A 47 9.997 1.981 12.375 1.00 74.45 H new HETATM 0 HH22 MLY A 47 10.318 3.668 11.906 1.00 74.45 H new HETATM 0 HH21 MLY A 47 10.625 3.135 13.576 1.00 74.45 H new HETATM 0 HH13 MLY A 47 8.916 5.432 12.729 1.00 43.20 H new HETATM 0 HH12 MLY A 47 7.551 5.055 13.807 1.00 43.20 H new HETATM 0 HH11 MLY A 47 9.222 4.897 14.399 1.00 43.20 H new HETATM 0 HG3 MLY A 47 6.116 2.340 10.166 1.00 32.35 H new HETATM 0 HG2 MLY A 47 4.979 3.281 11.110 1.00 32.35 H new HETATM 0 HE3 MLY A 47 8.273 2.770 11.088 1.00 42.23 H new HETATM 0 HE2 MLY A 47 7.382 4.202 11.565 1.00 42.23 H new HETATM 0 HD3 MLY A 47 6.032 2.747 13.153 1.00 72.20 H new HETATM 0 HD2 MLY A 47 6.845 1.346 12.483 1.00 72.20 H new HETATM 0 HB3 MLY A 47 3.907 1.294 11.961 1.00 43.31 H new HETATM 0 HB2 MLY A 47 5.167 0.261 11.316 1.00 43.31 H new HETATM 0 HA MLY A 47 4.426 0.496 9.098 1.00 63.34 H new HETATM 0 H MLY A 47 3.728 3.178 9.791 1.00 21.12 H new ATOM 808 N PHE A 48 2.552 -1.068 9.626 1.00 63.04 N ATOM 809 CA PHE A 48 1.397 -1.963 9.789 1.00 23.12 C ATOM 810 C PHE A 48 1.836 -3.427 9.931 1.00 45.43 C ATOM 811 O PHE A 48 2.944 -3.790 9.528 1.00 53.22 O ATOM 812 CB PHE A 48 0.420 -1.804 8.598 1.00 60.34 C ATOM 813 CG PHE A 48 0.960 -2.272 7.266 1.00 23.12 C ATOM 814 CD1 PHE A 48 1.789 -1.461 6.505 1.00 65.44 C ATOM 815 CD2 PHE A 48 0.637 -3.531 6.787 1.00 64.54 C ATOM 816 CE1 PHE A 48 2.283 -1.900 5.291 1.00 53.32 C ATOM 817 CE2 PHE A 48 1.127 -3.973 5.575 1.00 73.33 C ATOM 818 CZ PHE A 48 1.951 -3.158 4.826 1.00 3.21 C ATOM 0 H PHE A 48 3.345 -1.493 9.146 1.00 63.04 H new ATOM 0 HA PHE A 48 0.883 -1.680 10.708 1.00 23.12 H new ATOM 0 HB2 PHE A 48 -0.492 -2.358 8.819 1.00 60.34 H new ATOM 0 HB3 PHE A 48 0.142 -0.753 8.512 1.00 60.34 H new ATOM 0 HD1 PHE A 48 2.051 -0.477 6.865 1.00 65.44 H new ATOM 0 HD2 PHE A 48 -0.006 -4.174 7.369 1.00 64.54 H new ATOM 0 HE1 PHE A 48 2.928 -1.260 4.707 1.00 53.32 H new ATOM 0 HE2 PHE A 48 0.866 -4.956 5.213 1.00 73.33 H new ATOM 0 HZ PHE A 48 2.336 -3.503 3.878 1.00 3.21 H new ATOM 828 N MET A 49 0.951 -4.256 10.496 1.00 33.23 N ATOM 829 CA MET A 49 1.224 -5.678 10.683 1.00 71.14 C ATOM 830 C MET A 49 0.465 -6.513 9.657 1.00 22.43 C ATOM 831 O MET A 49 -0.735 -6.312 9.449 1.00 41.24 O ATOM 832 CB MET A 49 0.831 -6.115 12.094 1.00 22.35 C ATOM 833 CG MET A 49 2.009 -6.297 13.030 1.00 60.11 C ATOM 834 SD MET A 49 1.496 -6.516 14.743 1.00 51.55 S ATOM 835 CE MET A 49 3.083 -6.762 15.529 1.00 63.41 C ATOM 0 H MET A 49 0.035 -3.960 10.832 1.00 33.23 H new ATOM 0 HA MET A 49 2.293 -5.838 10.544 1.00 71.14 H new ATOM 0 HB2 MET A 49 0.154 -5.374 12.518 1.00 22.35 H new ATOM 0 HB3 MET A 49 0.279 -7.053 12.033 1.00 22.35 H new ATOM 0 HG2 MET A 49 2.591 -7.163 12.714 1.00 60.11 H new ATOM 0 HG3 MET A 49 2.665 -5.429 12.958 1.00 60.11 H new ATOM 0 HE1 MET A 49 3.055 -7.672 16.128 1.00 63.41 H new ATOM 0 HE2 MET A 49 3.857 -6.853 14.766 1.00 63.41 H new ATOM 0 HE3 MET A 49 3.306 -5.911 16.172 1.00 63.41 H new ATOM 845 N LEU A 50 1.179 -7.451 9.021 1.00 22.40 N ATOM 846 CA LEU A 50 0.595 -8.344 8.012 1.00 23.24 C ATOM 847 C LEU A 50 -0.219 -9.460 8.653 1.00 71.40 C ATOM 848 O LEU A 50 0.179 -10.021 9.679 1.00 63.44 O ATOM 849 CB LEU A 50 1.703 -8.967 7.143 1.00 74.22 C ATOM 850 CG LEU A 50 1.997 -8.315 5.776 1.00 62.03 C ATOM 851 CD1 LEU A 50 0.740 -8.143 4.938 1.00 23.44 C ATOM 852 CD2 LEU A 50 2.731 -6.990 5.942 1.00 72.11 C ATOM 0 H LEU A 50 2.172 -7.612 9.190 1.00 22.40 H new ATOM 0 HA LEU A 50 -0.069 -7.741 7.393 1.00 23.24 H new ATOM 0 HB2 LEU A 50 2.626 -8.961 7.722 1.00 74.22 H new ATOM 0 HB3 LEU A 50 1.444 -10.011 6.967 1.00 74.22 H new ATOM 0 HG LEU A 50 2.651 -8.999 5.234 1.00 62.03 H new ATOM 0 HD11 LEU A 50 0.998 -7.680 3.986 1.00 23.44 H new ATOM 0 HD12 LEU A 50 0.287 -9.118 4.757 1.00 23.44 H new ATOM 0 HD13 LEU A 50 0.032 -7.507 5.470 1.00 23.44 H new ATOM 0 HD21 LEU A 50 2.924 -6.555 4.961 1.00 72.11 H new ATOM 0 HD22 LEU A 50 2.118 -6.305 6.528 1.00 72.11 H new ATOM 0 HD23 LEU A 50 3.677 -7.160 6.456 1.00 72.11 H new ATOM 864 N GLY A 51 -1.360 -9.771 8.031 1.00 35.24 N ATOM 865 CA GLY A 51 -2.242 -10.818 8.529 1.00 71.31 C ATOM 866 C GLY A 51 -3.164 -10.348 9.650 1.00 50.01 C ATOM 867 O GLY A 51 -4.095 -11.065 10.029 1.00 31.34 O ATOM 0 H GLY A 51 -1.690 -9.310 7.183 1.00 35.24 H new ATOM 0 HA2 GLY A 51 -2.847 -11.196 7.705 1.00 71.31 H new ATOM 0 HA3 GLY A 51 -1.638 -11.651 8.890 1.00 71.31 H new HETATM 871 N MLY A 52 -2.899 -9.140 10.178 1.00 22.42 N HETATM 872 CA MLY A 52 -3.710 -8.551 11.252 1.00 50.33 C HETATM 873 CB MLY A 52 -2.888 -7.547 12.080 1.00 33.52 C HETATM 874 CG MLY A 52 -1.858 -8.170 13.025 1.00 64.24 C HETATM 875 CD MLY A 52 -2.500 -9.072 14.078 1.00 72.22 C HETATM 876 CE MLY A 52 -1.790 -8.968 15.423 1.00 30.34 C HETATM 877 NZ MLY A 52 -2.360 -7.857 16.206 1.00 33.24 N HETATM 878 CH1 MLY A 52 -1.300 -6.896 16.544 1.00 11.24 C HETATM 879 CH2 MLY A 52 -2.955 -8.381 17.446 1.00 42.22 C HETATM 880 C MLY A 52 -4.940 -7.850 10.678 1.00 12.24 C HETATM 881 O MLY A 52 -5.880 -7.527 11.410 1.00 14.32 O HETATM 0 HH23 MLY A 52 -3.744 -9.092 17.199 1.00 42.22 H new HETATM 0 HH22 MLY A 52 -2.187 -8.882 18.035 1.00 42.22 H new HETATM 0 HH21 MLY A 52 -3.376 -7.558 18.024 1.00 42.22 H new HETATM 0 HH13 MLY A 52 -0.530 -7.395 17.132 1.00 11.24 H new HETATM 0 HH12 MLY A 52 -0.859 -6.504 15.628 1.00 11.24 H new HETATM 0 HH11 MLY A 52 -1.724 -6.075 17.123 1.00 11.24 H new HETATM 0 HG3 MLY A 52 -1.140 -8.749 12.444 1.00 64.24 H new HETATM 0 HG2 MLY A 52 -1.300 -7.377 13.522 1.00 64.24 H new HETATM 0 HE3 MLY A 52 -1.895 -9.903 15.973 1.00 30.34 H new HETATM 0 HE2 MLY A 52 -0.723 -8.806 15.269 1.00 30.34 H new HETATM 0 HD3 MLY A 52 -3.549 -8.800 14.199 1.00 72.22 H new HETATM 0 HD2 MLY A 52 -2.476 -10.106 13.734 1.00 72.22 H new HETATM 0 HB3 MLY A 52 -2.370 -6.875 11.396 1.00 33.52 H new HETATM 0 HB2 MLY A 52 -3.574 -6.937 12.668 1.00 33.52 H new HETATM 0 HA MLY A 52 -4.032 -9.364 11.903 1.00 50.33 H new HETATM 0 H MLY A 52 -1.924 -8.864 10.065 1.00 22.42 H new ATOM 898 N GLN A 53 -4.907 -7.615 9.350 1.00 64.22 N ATOM 899 CA GLN A 53 -6.003 -6.960 8.593 1.00 1.55 C ATOM 900 C GLN A 53 -6.133 -5.463 8.937 1.00 54.20 C ATOM 901 O GLN A 53 -7.213 -4.871 8.814 1.00 41.22 O ATOM 902 CB GLN A 53 -7.354 -7.689 8.792 1.00 51.25 C ATOM 903 CG GLN A 53 -7.356 -9.130 8.299 1.00 51.21 C ATOM 904 CD GLN A 53 -8.754 -9.700 8.168 1.00 32.32 C ATOM 905 OE1 GLN A 53 -9.383 -9.598 7.114 1.00 62.40 O ATOM 906 NE2 GLN A 53 -9.249 -10.307 9.241 1.00 1.32 N ATOM 0 H GLN A 53 -4.113 -7.875 8.764 1.00 64.22 H new ATOM 0 HA GLN A 53 -5.735 -7.032 7.539 1.00 1.55 H new ATOM 0 HB2 GLN A 53 -7.609 -7.677 9.852 1.00 51.25 H new ATOM 0 HB3 GLN A 53 -8.135 -7.136 8.270 1.00 51.25 H new ATOM 0 HG2 GLN A 53 -6.855 -9.180 7.332 1.00 51.21 H new ATOM 0 HG3 GLN A 53 -6.779 -9.747 8.989 1.00 51.21 H new ATOM 0 HE21 GLN A 53 -8.693 -10.369 10.094 1.00 1.32 H new ATOM 0 HE22 GLN A 53 -10.185 -10.711 9.212 1.00 1.32 H new ATOM 915 N GLU A 54 -5.007 -4.854 9.345 1.00 41.31 N ATOM 916 CA GLU A 54 -4.960 -3.421 9.688 1.00 72.24 C ATOM 917 C GLU A 54 -4.944 -2.556 8.424 1.00 75.25 C ATOM 918 O GLU A 54 -5.152 -1.340 8.485 1.00 34.30 O ATOM 919 CB GLU A 54 -3.717 -3.108 10.530 1.00 53.34 C ATOM 920 CG GLU A 54 -3.753 -3.700 11.928 1.00 11.31 C ATOM 921 CD GLU A 54 -2.540 -3.319 12.755 1.00 20.35 C ATOM 922 OE1 GLU A 54 -1.534 -4.058 12.708 1.00 44.02 O ATOM 923 OE2 GLU A 54 -2.597 -2.283 13.450 1.00 15.22 O ATOM 0 H GLU A 54 -4.113 -5.334 9.446 1.00 41.31 H new ATOM 0 HA GLU A 54 -5.855 -3.190 10.265 1.00 72.24 H new ATOM 0 HB2 GLU A 54 -2.835 -3.483 10.010 1.00 53.34 H new ATOM 0 HB3 GLU A 54 -3.606 -2.026 10.607 1.00 53.34 H new ATOM 0 HG2 GLU A 54 -4.656 -3.363 12.438 1.00 11.31 H new ATOM 0 HG3 GLU A 54 -3.813 -4.786 11.857 1.00 11.31 H new ATOM 930 N VAL A 55 -4.697 -3.211 7.287 1.00 22.22 N ATOM 931 CA VAL A 55 -4.638 -2.549 5.983 1.00 23.14 C ATOM 932 C VAL A 55 -5.551 -3.265 4.973 1.00 5.11 C ATOM 933 O VAL A 55 -6.212 -4.250 5.321 1.00 74.45 O ATOM 934 CB VAL A 55 -3.169 -2.460 5.454 1.00 71.05 C ATOM 935 CG1 VAL A 55 -2.353 -1.509 6.324 1.00 61.41 C ATOM 936 CG2 VAL A 55 -2.484 -3.828 5.387 1.00 43.13 C ATOM 0 H VAL A 55 -4.532 -4.217 7.245 1.00 22.22 H new ATOM 0 HA VAL A 55 -5.000 -1.528 6.106 1.00 23.14 H new ATOM 0 HB VAL A 55 -3.220 -2.075 4.435 1.00 71.05 H new ATOM 0 HG11 VAL A 55 -1.332 -1.455 5.946 1.00 61.41 H new ATOM 0 HG12 VAL A 55 -2.802 -0.516 6.298 1.00 61.41 H new ATOM 0 HG13 VAL A 55 -2.341 -1.875 7.351 1.00 61.41 H new ATOM 0 HG21 VAL A 55 -1.467 -3.708 5.013 1.00 43.13 H new ATOM 0 HG22 VAL A 55 -2.455 -4.269 6.383 1.00 43.13 H new ATOM 0 HG23 VAL A 55 -3.042 -4.482 4.717 1.00 43.13 H new ATOM 946 N ILE A 56 -5.582 -2.768 3.729 1.00 52.14 N ATOM 947 CA ILE A 56 -6.419 -3.354 2.669 1.00 1.25 C ATOM 948 C ILE A 56 -5.810 -4.643 2.101 1.00 22.44 C ATOM 949 O ILE A 56 -4.603 -4.873 2.222 1.00 40.42 O ATOM 950 CB ILE A 56 -6.710 -2.345 1.518 1.00 14.41 C ATOM 951 CG1 ILE A 56 -5.446 -1.561 1.095 1.00 4.24 C ATOM 952 CG2 ILE A 56 -7.817 -1.390 1.957 1.00 53.42 C ATOM 953 CD1 ILE A 56 -5.548 -0.898 -0.270 1.00 34.03 C ATOM 0 H ILE A 56 -5.036 -1.960 3.430 1.00 52.14 H new ATOM 0 HA ILE A 56 -7.368 -3.605 3.143 1.00 1.25 H new ATOM 0 HB ILE A 56 -7.034 -2.909 0.643 1.00 14.41 H new ATOM 0 HG12 ILE A 56 -5.240 -0.796 1.843 1.00 4.24 H new ATOM 0 HG13 ILE A 56 -4.595 -2.241 1.093 1.00 4.24 H new ATOM 0 HG21 ILE A 56 -8.025 -0.681 1.155 1.00 53.42 H new ATOM 0 HG22 ILE A 56 -8.719 -1.958 2.182 1.00 53.42 H new ATOM 0 HG23 ILE A 56 -7.498 -0.848 2.847 1.00 53.42 H new ATOM 0 HD11 ILE A 56 -4.620 -0.370 -0.488 1.00 34.03 H new ATOM 0 HD12 ILE A 56 -5.721 -1.658 -1.032 1.00 34.03 H new ATOM 0 HD13 ILE A 56 -6.377 -0.190 -0.270 1.00 34.03 H new ATOM 965 N ARG A 57 -6.665 -5.474 1.480 1.00 73.41 N ATOM 966 CA ARG A 57 -6.248 -6.759 0.892 1.00 3.13 C ATOM 967 C ARG A 57 -5.193 -6.569 -0.205 1.00 73.31 C ATOM 968 O ARG A 57 -4.216 -7.321 -0.271 1.00 3.15 O ATOM 969 CB ARG A 57 -7.467 -7.496 0.328 1.00 41.00 C ATOM 970 CG ARG A 57 -7.324 -9.009 0.339 1.00 54.31 C ATOM 971 CD ARG A 57 -8.623 -9.692 -0.052 1.00 33.13 C ATOM 972 NE ARG A 57 -8.576 -11.140 0.177 1.00 45.05 N ATOM 973 CZ ARG A 57 -9.606 -11.977 -0.011 1.00 12.11 C ATOM 974 NH1 ARG A 57 -10.787 -11.532 -0.437 1.00 21.43 N ATOM 975 NH2 ARG A 57 -9.450 -13.272 0.228 1.00 4.55 N ATOM 0 H ARG A 57 -7.660 -5.275 1.372 1.00 73.41 H new ATOM 0 HA ARG A 57 -5.795 -7.355 1.684 1.00 3.13 H new ATOM 0 HB2 ARG A 57 -8.348 -7.219 0.907 1.00 41.00 H new ATOM 0 HB3 ARG A 57 -7.640 -7.164 -0.695 1.00 41.00 H new ATOM 0 HG2 ARG A 57 -6.533 -9.306 -0.350 1.00 54.31 H new ATOM 0 HG3 ARG A 57 -7.022 -9.340 1.333 1.00 54.31 H new ATOM 0 HD2 ARG A 57 -9.445 -9.261 0.520 1.00 33.13 H new ATOM 0 HD3 ARG A 57 -8.831 -9.498 -1.104 1.00 33.13 H new ATOM 0 HE ARG A 57 -7.696 -11.539 0.503 1.00 45.05 H new ATOM 0 HH11 ARG A 57 -10.920 -10.539 -0.626 1.00 21.43 H new ATOM 0 HH12 ARG A 57 -11.559 -12.185 -0.574 1.00 21.43 H new ATOM 0 HH21 ARG A 57 -8.550 -13.626 0.553 1.00 4.55 H new ATOM 0 HH22 ARG A 57 -10.230 -13.914 0.087 1.00 4.55 H new ATOM 989 N GLY A 58 -5.407 -5.557 -1.058 1.00 75.12 N ATOM 990 CA GLY A 58 -4.470 -5.246 -2.139 1.00 3.21 C ATOM 991 C GLY A 58 -3.091 -4.820 -1.636 1.00 15.14 C ATOM 992 O GLY A 58 -2.111 -4.890 -2.384 1.00 21.04 O ATOM 0 H GLY A 58 -6.220 -4.943 -1.018 1.00 75.12 H new ATOM 0 HA2 GLY A 58 -4.362 -6.121 -2.780 1.00 3.21 H new ATOM 0 HA3 GLY A 58 -4.887 -4.449 -2.755 1.00 3.21 H new ATOM 996 N TRP A 59 -3.023 -4.377 -0.365 1.00 34.52 N ATOM 997 CA TRP A 59 -1.759 -3.961 0.255 1.00 11.53 C ATOM 998 C TRP A 59 -1.000 -5.159 0.817 1.00 15.11 C ATOM 999 O TRP A 59 0.203 -5.278 0.609 1.00 30.32 O ATOM 1000 CB TRP A 59 -1.994 -2.944 1.383 1.00 30.13 C ATOM 1001 CG TRP A 59 -1.954 -1.492 0.953 1.00 24.41 C ATOM 1002 CD1 TRP A 59 -2.186 -0.981 -0.299 1.00 50.03 C ATOM 1003 CD2 TRP A 59 -1.661 -0.361 1.791 1.00 23.30 C ATOM 1004 NE1 TRP A 59 -2.059 0.386 -0.285 1.00 12.30 N ATOM 1005 CE2 TRP A 59 -1.738 0.790 0.983 1.00 64.24 C ATOM 1006 CE3 TRP A 59 -1.343 -0.209 3.146 1.00 10.45 C ATOM 1007 CZ2 TRP A 59 -1.510 2.068 1.485 1.00 44.24 C ATOM 1008 CZ3 TRP A 59 -1.117 1.061 3.641 1.00 4.50 C ATOM 1009 CH2 TRP A 59 -1.202 2.184 2.812 1.00 20.34 C ATOM 0 H TRP A 59 -3.833 -4.300 0.250 1.00 34.52 H new ATOM 0 HA TRP A 59 -1.164 -3.492 -0.529 1.00 11.53 H new ATOM 0 HB2 TRP A 59 -2.964 -3.146 1.838 1.00 30.13 H new ATOM 0 HB3 TRP A 59 -1.241 -3.100 2.155 1.00 30.13 H new ATOM 0 HD1 TRP A 59 -2.433 -1.569 -1.170 1.00 50.03 H new ATOM 0 HE1 TRP A 59 -2.184 1.001 -1.089 1.00 12.30 H new ATOM 0 HE3 TRP A 59 -1.275 -1.071 3.794 1.00 10.45 H new ATOM 0 HZ2 TRP A 59 -1.574 2.938 0.848 1.00 44.24 H new ATOM 0 HZ3 TRP A 59 -0.871 1.188 4.685 1.00 4.50 H new ATOM 0 HH2 TRP A 59 -1.021 3.164 3.229 1.00 20.34 H new ATOM 1020 N GLU A 60 -1.719 -6.051 1.520 1.00 64.02 N ATOM 1021 CA GLU A 60 -1.109 -7.247 2.131 1.00 11.50 C ATOM 1022 C GLU A 60 -0.573 -8.215 1.069 1.00 31.21 C ATOM 1023 O GLU A 60 0.478 -8.834 1.259 1.00 2.33 O ATOM 1024 CB GLU A 60 -2.116 -7.982 3.036 1.00 15.25 C ATOM 1025 CG GLU A 60 -2.683 -7.127 4.157 1.00 64.33 C ATOM 1026 CD GLU A 60 -3.391 -7.949 5.217 1.00 71.32 C ATOM 1027 OE1 GLU A 60 -2.790 -8.184 6.285 1.00 12.21 O ATOM 1028 OE2 GLU A 60 -4.548 -8.355 4.978 1.00 23.02 O ATOM 0 H GLU A 60 -2.723 -5.967 1.680 1.00 64.02 H new ATOM 0 HA GLU A 60 -0.272 -6.900 2.737 1.00 11.50 H new ATOM 0 HB2 GLU A 60 -2.939 -8.349 2.422 1.00 15.25 H new ATOM 0 HB3 GLU A 60 -1.628 -8.854 3.470 1.00 15.25 H new ATOM 0 HG2 GLU A 60 -1.875 -6.561 4.621 1.00 64.33 H new ATOM 0 HG3 GLU A 60 -3.381 -6.402 3.738 1.00 64.33 H new ATOM 1035 N GLU A 61 -1.310 -8.331 -0.043 1.00 13.22 N ATOM 1036 CA GLU A 61 -0.927 -9.209 -1.155 1.00 4.04 C ATOM 1037 C GLU A 61 0.057 -8.522 -2.110 1.00 23.14 C ATOM 1038 O GLU A 61 0.843 -9.195 -2.780 1.00 64.00 O ATOM 1039 CB GLU A 61 -2.169 -9.659 -1.935 1.00 12.20 C ATOM 1040 CG GLU A 61 -3.045 -10.652 -1.184 1.00 33.24 C ATOM 1041 CD GLU A 61 -4.248 -11.095 -1.994 1.00 73.22 C ATOM 1042 OE1 GLU A 61 -4.132 -12.099 -2.728 1.00 24.44 O ATOM 1043 OE2 GLU A 61 -5.305 -10.438 -1.893 1.00 21.23 O ATOM 0 H GLU A 61 -2.181 -7.823 -0.196 1.00 13.22 H new ATOM 0 HA GLU A 61 -0.431 -10.079 -0.724 1.00 4.04 H new ATOM 0 HB2 GLU A 61 -2.765 -8.782 -2.186 1.00 12.20 H new ATOM 0 HB3 GLU A 61 -1.852 -10.109 -2.876 1.00 12.20 H new ATOM 0 HG2 GLU A 61 -2.450 -11.525 -0.916 1.00 33.24 H new ATOM 0 HG3 GLU A 61 -3.385 -10.199 -0.253 1.00 33.24 H new ATOM 1050 N GLY A 62 0.007 -7.180 -2.155 1.00 2.32 N ATOM 1051 CA GLY A 62 0.879 -6.407 -3.036 1.00 34.53 C ATOM 1052 C GLY A 62 2.221 -6.043 -2.414 1.00 41.44 C ATOM 1053 O GLY A 62 3.261 -6.195 -3.060 1.00 71.54 O ATOM 0 H GLY A 62 -0.628 -6.615 -1.591 1.00 2.32 H new ATOM 0 HA2 GLY A 62 1.055 -6.978 -3.948 1.00 34.53 H new ATOM 0 HA3 GLY A 62 0.365 -5.491 -3.327 1.00 34.53 H new ATOM 1057 N VAL A 63 2.197 -5.563 -1.158 1.00 13.21 N ATOM 1058 CA VAL A 63 3.421 -5.162 -0.434 1.00 21.10 C ATOM 1059 C VAL A 63 4.365 -6.360 -0.199 1.00 62.21 C ATOM 1060 O VAL A 63 5.579 -6.190 -0.059 1.00 10.30 O ATOM 1061 CB VAL A 63 3.065 -4.460 0.918 1.00 1.44 C ATOM 1062 CG1 VAL A 63 2.780 -5.455 2.050 1.00 73.30 C ATOM 1063 CG2 VAL A 63 4.163 -3.485 1.324 1.00 1.13 C ATOM 0 H VAL A 63 1.339 -5.442 -0.619 1.00 13.21 H new ATOM 0 HA VAL A 63 3.951 -4.447 -1.063 1.00 21.10 H new ATOM 0 HB VAL A 63 2.142 -3.906 0.748 1.00 1.44 H new ATOM 0 HG11 VAL A 63 2.539 -4.909 2.962 1.00 73.30 H new ATOM 0 HG12 VAL A 63 1.938 -6.089 1.774 1.00 73.30 H new ATOM 0 HG13 VAL A 63 3.660 -6.075 2.220 1.00 73.30 H new ATOM 0 HG21 VAL A 63 3.895 -3.008 2.267 1.00 1.13 H new ATOM 0 HG22 VAL A 63 5.102 -4.024 1.444 1.00 1.13 H new ATOM 0 HG23 VAL A 63 4.278 -2.724 0.552 1.00 1.13 H new ATOM 1073 N ALA A 64 3.772 -7.558 -0.162 1.00 31.45 N ATOM 1074 CA ALA A 64 4.508 -8.811 0.040 1.00 31.03 C ATOM 1075 C ALA A 64 5.261 -9.238 -1.228 1.00 33.41 C ATOM 1076 O ALA A 64 6.021 -10.212 -1.215 1.00 20.51 O ATOM 1077 CB ALA A 64 3.542 -9.903 0.477 1.00 31.20 C ATOM 0 H ALA A 64 2.766 -7.687 -0.271 1.00 31.45 H new ATOM 0 HA ALA A 64 5.252 -8.648 0.819 1.00 31.03 H new ATOM 0 HB1 ALA A 64 4.089 -10.834 0.627 1.00 31.20 H new ATOM 0 HB2 ALA A 64 3.060 -9.611 1.410 1.00 31.20 H new ATOM 0 HB3 ALA A 64 2.784 -10.048 -0.293 1.00 31.20 H new ATOM 1083 N GLN A 65 5.041 -8.486 -2.313 1.00 10.14 N ATOM 1084 CA GLN A 65 5.676 -8.751 -3.606 1.00 4.44 C ATOM 1085 C GLN A 65 6.943 -7.905 -3.786 1.00 1.34 C ATOM 1086 O GLN A 65 7.723 -8.141 -4.715 1.00 54.10 O ATOM 1087 CB GLN A 65 4.686 -8.465 -4.746 1.00 23.01 C ATOM 1088 CG GLN A 65 3.318 -9.123 -4.557 1.00 41.22 C ATOM 1089 CD GLN A 65 2.388 -8.961 -5.749 1.00 21.44 C ATOM 1090 OE1 GLN A 65 2.808 -9.033 -6.907 1.00 10.20 O ATOM 1091 NE2 GLN A 65 1.108 -8.730 -5.468 1.00 4.02 N ATOM 0 H GLN A 65 4.418 -7.678 -2.318 1.00 10.14 H new ATOM 0 HA GLN A 65 5.964 -9.802 -3.633 1.00 4.44 H new ATOM 0 HB2 GLN A 65 4.551 -7.387 -4.835 1.00 23.01 H new ATOM 0 HB3 GLN A 65 5.118 -8.811 -5.685 1.00 23.01 H new ATOM 0 HG2 GLN A 65 3.461 -10.186 -4.361 1.00 41.22 H new ATOM 0 HG3 GLN A 65 2.840 -8.698 -3.675 1.00 41.22 H new ATOM 0 HE21 GLN A 65 0.800 -8.678 -4.497 1.00 4.02 H new ATOM 0 HE22 GLN A 65 0.434 -8.605 -6.224 1.00 4.02 H new ATOM 1100 N MET A 66 7.140 -6.925 -2.890 1.00 51.30 N ATOM 1101 CA MET A 66 8.306 -6.037 -2.939 1.00 45.42 C ATOM 1102 C MET A 66 9.308 -6.396 -1.840 1.00 14.24 C ATOM 1103 O MET A 66 8.936 -6.984 -0.820 1.00 42.21 O ATOM 1104 CB MET A 66 7.907 -4.553 -2.801 1.00 54.20 C ATOM 1105 CG MET A 66 6.408 -4.266 -2.733 1.00 71.10 C ATOM 1106 SD MET A 66 5.992 -2.568 -3.205 1.00 71.25 S ATOM 1107 CE MET A 66 7.042 -1.610 -2.108 1.00 23.31 C ATOM 0 H MET A 66 6.501 -6.729 -2.120 1.00 51.30 H new ATOM 0 HA MET A 66 8.769 -6.178 -3.916 1.00 45.42 H new ATOM 0 HB2 MET A 66 8.374 -4.154 -1.901 1.00 54.20 H new ATOM 0 HB3 MET A 66 8.324 -4.005 -3.646 1.00 54.20 H new ATOM 0 HG2 MET A 66 5.881 -4.959 -3.388 1.00 71.10 H new ATOM 0 HG3 MET A 66 6.053 -4.453 -1.719 1.00 71.10 H new ATOM 0 HE1 MET A 66 6.848 -0.547 -2.255 1.00 23.31 H new ATOM 0 HE2 MET A 66 6.828 -1.879 -1.073 1.00 23.31 H new ATOM 0 HE3 MET A 66 8.088 -1.822 -2.329 1.00 23.31 H new ATOM 1117 N SER A 67 10.574 -6.023 -2.058 1.00 4.44 N ATOM 1118 CA SER A 67 11.651 -6.295 -1.101 1.00 50.24 C ATOM 1119 C SER A 67 12.145 -4.995 -0.462 1.00 5.23 C ATOM 1120 O SER A 67 11.834 -3.909 -0.951 1.00 51.25 O ATOM 1121 CB SER A 67 12.808 -7.016 -1.803 1.00 21.11 C ATOM 1122 OG SER A 67 13.199 -6.328 -2.980 1.00 40.45 O ATOM 0 H SER A 67 10.879 -5.528 -2.896 1.00 4.44 H new ATOM 0 HA SER A 67 11.261 -6.938 -0.312 1.00 50.24 H new ATOM 0 HB2 SER A 67 13.657 -7.094 -1.124 1.00 21.11 H new ATOM 0 HB3 SER A 67 12.507 -8.033 -2.055 1.00 21.11 H new ATOM 0 HG SER A 67 12.806 -6.769 -3.762 1.00 40.45 H new ATOM 1128 N VAL A 68 12.929 -5.116 0.628 1.00 33.02 N ATOM 1129 CA VAL A 68 13.481 -3.953 1.355 1.00 53.10 C ATOM 1130 C VAL A 68 14.288 -3.040 0.415 1.00 12.43 C ATOM 1131 O VAL A 68 15.240 -3.486 -0.233 1.00 21.20 O ATOM 1132 CB VAL A 68 14.365 -4.407 2.561 1.00 34.11 C ATOM 1133 CG1 VAL A 68 15.136 -3.243 3.183 1.00 30.52 C ATOM 1134 CG2 VAL A 68 13.512 -5.085 3.628 1.00 13.21 C ATOM 0 H VAL A 68 13.196 -6.016 1.028 1.00 33.02 H new ATOM 0 HA VAL A 68 12.637 -3.383 1.744 1.00 53.10 H new ATOM 0 HB VAL A 68 15.092 -5.118 2.169 1.00 34.11 H new ATOM 0 HG11 VAL A 68 15.736 -3.608 4.017 1.00 30.52 H new ATOM 0 HG12 VAL A 68 15.790 -2.798 2.433 1.00 30.52 H new ATOM 0 HG13 VAL A 68 14.433 -2.492 3.543 1.00 30.52 H new ATOM 0 HG21 VAL A 68 14.146 -5.394 4.459 1.00 13.21 H new ATOM 0 HG22 VAL A 68 12.757 -4.387 3.988 1.00 13.21 H new ATOM 0 HG23 VAL A 68 13.023 -5.960 3.201 1.00 13.21 H new ATOM 1144 N GLY A 69 13.882 -1.767 0.358 1.00 54.02 N ATOM 1145 CA GLY A 69 14.544 -0.787 -0.493 1.00 71.34 C ATOM 1146 C GLY A 69 13.926 -0.684 -1.882 1.00 5.22 C ATOM 1147 O GLY A 69 14.422 0.072 -2.724 1.00 23.21 O ATOM 0 H GLY A 69 13.097 -1.396 0.894 1.00 54.02 H new ATOM 0 HA2 GLY A 69 14.503 0.190 -0.011 1.00 71.34 H new ATOM 0 HA3 GLY A 69 15.597 -1.051 -0.589 1.00 71.34 H new ATOM 1151 N GLN A 70 12.845 -1.444 -2.120 1.00 55.02 N ATOM 1152 CA GLN A 70 12.162 -1.445 -3.415 1.00 4.10 C ATOM 1153 C GLN A 70 10.997 -0.457 -3.431 1.00 65.14 C ATOM 1154 O GLN A 70 10.289 -0.294 -2.433 1.00 64.15 O ATOM 1155 CB GLN A 70 11.654 -2.853 -3.760 1.00 54.10 C ATOM 1156 CG GLN A 70 11.428 -3.077 -5.251 1.00 53.24 C ATOM 1157 CD GLN A 70 10.699 -4.372 -5.553 1.00 75.44 C ATOM 1158 OE1 GLN A 70 9.390 -4.278 -5.761 1.00 62.23 O flip ATOM 1159 NE2 GLN A 70 11.308 -5.440 -5.623 1.00 4.25 N flip ATOM 0 H GLN A 70 12.428 -2.066 -1.428 1.00 55.02 H new ATOM 0 HA GLN A 70 12.887 -1.133 -4.167 1.00 4.10 H new ATOM 0 HB2 GLN A 70 12.373 -3.588 -3.396 1.00 54.10 H new ATOM 0 HB3 GLN A 70 10.719 -3.032 -3.229 1.00 54.10 H new ATOM 0 HG2 GLN A 70 10.856 -2.242 -5.655 1.00 53.24 H new ATOM 0 HG3 GLN A 70 12.391 -3.081 -5.762 1.00 53.24 H new ATOM 0 HE21 GLN A 70 12.314 -5.465 -5.456 1.00 4.25 H new ATOM 0 HE22 GLN A 70 10.807 -6.299 -5.848 1.00 4.25 H new ATOM 1168 N ARG A 71 10.822 0.191 -4.583 1.00 33.42 N ATOM 1169 CA ARG A 71 9.743 1.155 -4.790 1.00 34.40 C ATOM 1170 C ARG A 71 8.871 0.697 -5.966 1.00 60.34 C ATOM 1171 O ARG A 71 9.306 0.731 -7.123 1.00 3.51 O ATOM 1172 CB ARG A 71 10.328 2.555 -5.047 1.00 73.14 C ATOM 1173 CG ARG A 71 9.354 3.702 -4.788 1.00 14.30 C ATOM 1174 CD ARG A 71 9.184 4.571 -6.023 1.00 71.52 C ATOM 1175 NE ARG A 71 8.187 5.628 -5.819 1.00 3.22 N ATOM 1176 CZ ARG A 71 8.173 6.801 -6.468 1.00 32.00 C ATOM 1177 NH1 ARG A 71 9.100 7.097 -7.378 1.00 54.01 N ATOM 1178 NH2 ARG A 71 7.221 7.684 -6.203 1.00 42.24 N ATOM 0 H ARG A 71 11.423 0.062 -5.397 1.00 33.42 H new ATOM 0 HA ARG A 71 9.122 1.210 -3.896 1.00 34.40 H new ATOM 0 HB2 ARG A 71 11.206 2.690 -4.415 1.00 73.14 H new ATOM 0 HB3 ARG A 71 10.668 2.609 -6.081 1.00 73.14 H new ATOM 0 HG2 ARG A 71 8.386 3.300 -4.488 1.00 14.30 H new ATOM 0 HG3 ARG A 71 9.717 4.310 -3.960 1.00 14.30 H new ATOM 0 HD2 ARG A 71 10.142 5.022 -6.284 1.00 71.52 H new ATOM 0 HD3 ARG A 71 8.885 3.948 -6.866 1.00 71.52 H new ATOM 0 HE ARG A 71 7.451 5.458 -5.134 1.00 3.22 H new ATOM 0 HH11 ARG A 71 9.838 6.426 -7.592 1.00 54.01 H new ATOM 0 HH12 ARG A 71 9.072 7.995 -7.861 1.00 54.01 H new ATOM 0 HH21 ARG A 71 6.505 7.469 -5.509 1.00 42.24 H new ATOM 0 HH22 ARG A 71 7.204 8.578 -6.693 1.00 42.24 H new ATOM 1192 N ALA A 72 7.646 0.255 -5.655 1.00 5.10 N ATOM 1193 CA ALA A 72 6.712 -0.229 -6.675 1.00 53.23 C ATOM 1194 C ALA A 72 5.319 0.384 -6.512 1.00 61.04 C ATOM 1195 O ALA A 72 4.949 0.816 -5.416 1.00 32.53 O ATOM 1196 CB ALA A 72 6.631 -1.751 -6.625 1.00 53.11 C ATOM 0 H ALA A 72 7.280 0.223 -4.704 1.00 5.10 H new ATOM 0 HA ALA A 72 7.092 0.082 -7.648 1.00 53.23 H new ATOM 0 HB1 ALA A 72 5.935 -2.104 -7.386 1.00 53.11 H new ATOM 0 HB2 ALA A 72 7.618 -2.174 -6.812 1.00 53.11 H new ATOM 0 HB3 ALA A 72 6.282 -2.065 -5.641 1.00 53.11 H new HETATM 1202 N MLY A 73 4.554 0.413 -7.616 1.00 72.40 N HETATM 1203 CA MLY A 73 3.199 0.960 -7.619 1.00 10.44 C HETATM 1204 CB MLY A 73 3.016 1.871 -8.839 1.00 42.22 C HETATM 1205 CG MLY A 73 1.927 2.932 -8.680 1.00 32.23 C HETATM 1206 CD MLY A 73 1.937 3.940 -9.827 1.00 43.41 C HETATM 1207 CE MLY A 73 1.137 3.447 -11.030 1.00 12.10 C HETATM 1208 NZ MLY A 73 1.230 4.423 -12.129 1.00 24.53 N HETATM 1209 CH1 MLY A 73 -0.118 4.892 -12.487 1.00 62.33 C HETATM 1210 CH2 MLY A 73 1.853 3.790 -13.302 1.00 20.10 C HETATM 1211 C MLY A 73 2.170 -0.173 -7.632 1.00 30.22 C HETATM 1212 O MLY A 73 2.195 -1.031 -8.519 1.00 52.40 O HETATM 0 HH23 MLY A 73 2.853 3.444 -13.041 1.00 20.10 H new HETATM 0 HH22 MLY A 73 1.248 2.942 -13.622 1.00 20.10 H new HETATM 0 HH21 MLY A 73 1.920 4.515 -14.114 1.00 20.10 H new HETATM 0 HH13 MLY A 73 -0.725 4.045 -12.805 1.00 62.33 H new HETATM 0 HH12 MLY A 73 -0.581 5.365 -11.621 1.00 62.33 H new HETATM 0 HH11 MLY A 73 -0.048 5.614 -13.300 1.00 62.33 H new HETATM 0 HG3 MLY A 73 0.952 2.446 -8.633 1.00 32.23 H new HETATM 0 HG2 MLY A 73 2.068 3.457 -7.735 1.00 32.23 H new HETATM 0 HE3 MLY A 73 1.517 2.480 -11.358 1.00 12.10 H new HETATM 0 HE2 MLY A 73 0.094 3.301 -10.749 1.00 12.10 H new HETATM 0 HD3 MLY A 73 1.524 4.887 -9.481 1.00 43.41 H new HETATM 0 HD2 MLY A 73 2.966 4.133 -10.131 1.00 43.41 H new HETATM 0 HB3 MLY A 73 3.962 2.369 -9.050 1.00 42.22 H new HETATM 0 HB2 MLY A 73 2.780 1.253 -9.706 1.00 42.22 H new HETATM 0 HA MLY A 73 3.046 1.548 -6.714 1.00 10.44 H new HETATM 0 H MLY A 73 5.206 0.662 -8.360 1.00 72.40 H new ATOM 1229 N LEU A 74 1.271 -0.160 -6.644 1.00 74.52 N ATOM 1230 CA LEU A 74 0.232 -1.189 -6.524 1.00 74.33 C ATOM 1231 C LEU A 74 -1.125 -0.638 -6.953 1.00 30.42 C ATOM 1232 O LEU A 74 -1.508 0.467 -6.560 1.00 24.14 O ATOM 1233 CB LEU A 74 0.129 -1.723 -5.080 1.00 54.31 C ATOM 1234 CG LEU A 74 1.406 -1.643 -4.236 1.00 51.21 C ATOM 1235 CD1 LEU A 74 1.431 -0.341 -3.453 1.00 53.33 C ATOM 1236 CD2 LEU A 74 1.513 -2.840 -3.300 1.00 45.42 C ATOM 0 H LEU A 74 1.241 0.552 -5.914 1.00 74.52 H new ATOM 0 HA LEU A 74 0.516 -2.011 -7.181 1.00 74.33 H new ATOM 0 HB2 LEU A 74 -0.657 -1.170 -4.566 1.00 54.31 H new ATOM 0 HB3 LEU A 74 -0.189 -2.765 -5.122 1.00 54.31 H new ATOM 0 HG LEU A 74 2.267 -1.665 -4.904 1.00 51.21 H new ATOM 0 HD11 LEU A 74 2.342 -0.293 -2.856 1.00 53.33 H new ATOM 0 HD12 LEU A 74 1.406 0.500 -4.145 1.00 53.33 H new ATOM 0 HD13 LEU A 74 0.563 -0.295 -2.795 1.00 53.33 H new ATOM 0 HD21 LEU A 74 2.427 -2.761 -2.711 1.00 45.42 H new ATOM 0 HD22 LEU A 74 0.652 -2.858 -2.632 1.00 45.42 H new ATOM 0 HD23 LEU A 74 1.537 -3.759 -3.886 1.00 45.42 H new ATOM 1248 N THR A 75 -1.838 -1.424 -7.762 1.00 22.43 N ATOM 1249 CA THR A 75 -3.163 -1.058 -8.255 1.00 34.30 C ATOM 1250 C THR A 75 -4.233 -1.765 -7.421 1.00 11.12 C ATOM 1251 O THR A 75 -4.338 -2.995 -7.446 1.00 0.33 O ATOM 1252 CB THR A 75 -3.331 -1.427 -9.753 1.00 53.12 C ATOM 1253 OG1 THR A 75 -2.150 -1.068 -10.483 1.00 4.44 O ATOM 1254 CG2 THR A 75 -4.534 -0.722 -10.376 1.00 22.41 C ATOM 0 H THR A 75 -1.511 -2.332 -8.093 1.00 22.43 H new ATOM 0 HA THR A 75 -3.276 0.022 -8.161 1.00 34.30 H new ATOM 0 HB THR A 75 -3.494 -2.503 -9.808 1.00 53.12 H new ATOM 0 HG1 THR A 75 -1.419 -1.675 -10.242 1.00 4.44 H new ATOM 0 HG21 THR A 75 -4.619 -1.005 -11.425 1.00 22.41 H new ATOM 0 HG22 THR A 75 -5.441 -1.014 -9.847 1.00 22.41 H new ATOM 0 HG23 THR A 75 -4.402 0.357 -10.301 1.00 22.41 H new ATOM 1262 N ILE A 76 -5.012 -0.976 -6.683 1.00 31.12 N ATOM 1263 CA ILE A 76 -6.070 -1.513 -5.830 1.00 1.42 C ATOM 1264 C ILE A 76 -7.436 -1.239 -6.452 1.00 60.35 C ATOM 1265 O ILE A 76 -7.709 -0.129 -6.912 1.00 13.12 O ATOM 1266 CB ILE A 76 -6.018 -0.921 -4.382 1.00 70.02 C ATOM 1267 CG1 ILE A 76 -4.552 -0.765 -3.871 1.00 70.21 C ATOM 1268 CG2 ILE A 76 -6.858 -1.761 -3.408 1.00 75.11 C ATOM 1269 CD1 ILE A 76 -3.762 -2.057 -3.671 1.00 11.52 C ATOM 0 H ILE A 76 -4.930 0.040 -6.659 1.00 31.12 H new ATOM 0 HA ILE A 76 -5.910 -2.588 -5.753 1.00 1.42 H new ATOM 0 HB ILE A 76 -6.453 0.077 -4.426 1.00 70.02 H new ATOM 0 HG12 ILE A 76 -4.009 -0.138 -4.578 1.00 70.21 H new ATOM 0 HG13 ILE A 76 -4.576 -0.229 -2.922 1.00 70.21 H new ATOM 0 HG21 ILE A 76 -6.802 -1.325 -2.410 1.00 75.11 H new ATOM 0 HG22 ILE A 76 -7.896 -1.774 -3.741 1.00 75.11 H new ATOM 0 HG23 ILE A 76 -6.473 -2.780 -3.381 1.00 75.11 H new ATOM 0 HD11 ILE A 76 -2.760 -1.819 -3.315 1.00 11.52 H new ATOM 0 HD12 ILE A 76 -4.269 -2.684 -2.937 1.00 11.52 H new ATOM 0 HD13 ILE A 76 -3.693 -2.591 -4.618 1.00 11.52 H new ATOM 1281 N SER A 77 -8.278 -2.271 -6.459 1.00 11.11 N ATOM 1282 CA SER A 77 -9.629 -2.180 -7.011 1.00 42.11 C ATOM 1283 C SER A 77 -10.661 -1.984 -5.893 1.00 43.15 C ATOM 1284 O SER A 77 -10.356 -2.252 -4.729 1.00 74.23 O ATOM 1285 CB SER A 77 -9.960 -3.442 -7.828 1.00 53.42 C ATOM 1286 OG SER A 77 -9.215 -4.566 -7.389 1.00 32.12 O ATOM 0 H SER A 77 -8.044 -3.190 -6.084 1.00 11.11 H new ATOM 0 HA SER A 77 -9.671 -1.314 -7.672 1.00 42.11 H new ATOM 0 HB2 SER A 77 -11.025 -3.658 -7.747 1.00 53.42 H new ATOM 0 HB3 SER A 77 -9.752 -3.257 -8.882 1.00 53.42 H new ATOM 0 HG SER A 77 -8.294 -4.496 -7.716 1.00 32.12 H new ATOM 1292 N PRO A 78 -11.910 -1.512 -6.218 1.00 14.41 N ATOM 1293 CA PRO A 78 -12.968 -1.298 -5.205 1.00 50.11 C ATOM 1294 C PRO A 78 -13.370 -2.586 -4.472 1.00 62.43 C ATOM 1295 O PRO A 78 -13.985 -2.530 -3.410 1.00 15.12 O ATOM 1296 CB PRO A 78 -14.156 -0.749 -6.011 1.00 32.31 C ATOM 1297 CG PRO A 78 -13.874 -1.092 -7.434 1.00 23.43 C ATOM 1298 CD PRO A 78 -12.382 -1.146 -7.573 1.00 55.53 C ATOM 0 HA PRO A 78 -12.624 -0.625 -4.419 1.00 50.11 H new ATOM 0 HB2 PRO A 78 -15.093 -1.196 -5.679 1.00 32.31 H new ATOM 0 HB3 PRO A 78 -14.253 0.329 -5.880 1.00 32.31 H new ATOM 0 HG2 PRO A 78 -14.323 -2.050 -7.698 1.00 23.43 H new ATOM 0 HG3 PRO A 78 -14.299 -0.345 -8.104 1.00 23.43 H new ATOM 0 HD2 PRO A 78 -12.077 -1.884 -8.315 1.00 55.53 H new ATOM 0 HD3 PRO A 78 -11.976 -0.186 -7.892 1.00 55.53 H new ATOM 1306 N ASP A 79 -13.007 -3.736 -5.055 1.00 12.13 N ATOM 1307 CA ASP A 79 -13.300 -5.046 -4.472 1.00 63.51 C ATOM 1308 C ASP A 79 -12.204 -5.474 -3.488 1.00 41.14 C ATOM 1309 O ASP A 79 -12.457 -6.269 -2.578 1.00 2.04 O ATOM 1310 CB ASP A 79 -13.446 -6.084 -5.581 1.00 74.51 C ATOM 1311 CG ASP A 79 -14.884 -6.260 -6.026 1.00 73.03 C ATOM 1312 OD1 ASP A 79 -15.585 -7.114 -5.445 1.00 41.30 O ATOM 1313 OD2 ASP A 79 -15.310 -5.542 -6.955 1.00 45.33 O ATOM 0 H ASP A 79 -12.504 -3.782 -5.941 1.00 12.13 H new ATOM 0 HA ASP A 79 -14.236 -4.973 -3.919 1.00 63.51 H new ATOM 0 HB2 ASP A 79 -12.839 -5.786 -6.436 1.00 74.51 H new ATOM 0 HB3 ASP A 79 -13.057 -7.041 -5.232 1.00 74.51 H new ATOM 1318 N TYR A 80 -10.992 -4.939 -3.687 1.00 23.22 N ATOM 1319 CA TYR A 80 -9.846 -5.241 -2.821 1.00 53.15 C ATOM 1320 C TYR A 80 -9.587 -4.111 -1.823 1.00 65.53 C ATOM 1321 O TYR A 80 -8.907 -4.316 -0.813 1.00 12.33 O ATOM 1322 CB TYR A 80 -8.580 -5.485 -3.658 1.00 14.24 C ATOM 1323 CG TYR A 80 -8.352 -6.939 -4.034 1.00 54.54 C ATOM 1324 CD1 TYR A 80 -7.244 -7.631 -3.557 1.00 24.12 C ATOM 1325 CD2 TYR A 80 -9.244 -7.620 -4.859 1.00 35.12 C ATOM 1326 CE1 TYR A 80 -7.032 -8.955 -3.891 1.00 2.42 C ATOM 1327 CE2 TYR A 80 -9.037 -8.942 -5.195 1.00 30.14 C ATOM 1328 CZ TYR A 80 -7.930 -9.605 -4.709 1.00 23.34 C ATOM 1329 OH TYR A 80 -7.722 -10.924 -5.043 1.00 73.03 O ATOM 0 H TYR A 80 -10.780 -4.291 -4.445 1.00 23.22 H new ATOM 0 HA TYR A 80 -10.090 -6.146 -2.265 1.00 53.15 H new ATOM 0 HB2 TYR A 80 -8.641 -4.891 -4.570 1.00 14.24 H new ATOM 0 HB3 TYR A 80 -7.715 -5.126 -3.101 1.00 14.24 H new ATOM 0 HD1 TYR A 80 -6.538 -7.125 -2.915 1.00 24.12 H new ATOM 0 HD2 TYR A 80 -10.112 -7.105 -5.242 1.00 35.12 H new ATOM 0 HE1 TYR A 80 -6.166 -9.478 -3.512 1.00 2.42 H new ATOM 0 HE2 TYR A 80 -9.739 -9.455 -5.836 1.00 30.14 H new ATOM 0 HH TYR A 80 -8.447 -11.232 -5.625 1.00 73.03 H new ATOM 1339 N ALA A 81 -10.135 -2.921 -2.114 1.00 54.11 N ATOM 1340 CA ALA A 81 -9.958 -1.746 -1.258 1.00 1.04 C ATOM 1341 C ALA A 81 -10.993 -1.679 -0.123 1.00 31.52 C ATOM 1342 O ALA A 81 -10.623 -1.732 1.051 1.00 11.01 O ATOM 1343 CB ALA A 81 -9.995 -0.476 -2.102 1.00 23.45 C ATOM 0 H ALA A 81 -10.707 -2.751 -2.941 1.00 54.11 H new ATOM 0 HA ALA A 81 -8.982 -1.834 -0.781 1.00 1.04 H new ATOM 0 HB1 ALA A 81 -9.863 0.393 -1.458 1.00 23.45 H new ATOM 0 HB2 ALA A 81 -9.193 -0.506 -2.840 1.00 23.45 H new ATOM 0 HB3 ALA A 81 -10.956 -0.406 -2.612 1.00 23.45 H new ATOM 1349 N TYR A 82 -12.284 -1.571 -0.472 1.00 35.34 N ATOM 1350 CA TYR A 82 -13.348 -1.476 0.536 1.00 21.22 C ATOM 1351 C TYR A 82 -14.518 -2.408 0.211 1.00 64.31 C ATOM 1352 O TYR A 82 -14.918 -3.222 1.048 1.00 12.00 O ATOM 1353 CB TYR A 82 -13.841 -0.022 0.655 1.00 60.11 C ATOM 1354 CG TYR A 82 -12.770 0.961 1.091 1.00 23.55 C ATOM 1355 CD1 TYR A 82 -12.623 1.310 2.428 1.00 60.20 C ATOM 1356 CD2 TYR A 82 -11.906 1.540 0.164 1.00 2.31 C ATOM 1357 CE1 TYR A 82 -11.651 2.206 2.830 1.00 51.12 C ATOM 1358 CE2 TYR A 82 -10.931 2.436 0.560 1.00 74.54 C ATOM 1359 CZ TYR A 82 -10.808 2.766 1.893 1.00 74.23 C ATOM 1360 OH TYR A 82 -9.838 3.658 2.291 1.00 54.35 O ATOM 0 H TYR A 82 -12.614 -1.547 -1.437 1.00 35.34 H new ATOM 0 HA TYR A 82 -12.929 -1.791 1.492 1.00 21.22 H new ATOM 0 HB2 TYR A 82 -14.240 0.295 -0.309 1.00 60.11 H new ATOM 0 HB3 TYR A 82 -14.664 0.014 1.368 1.00 60.11 H new ATOM 0 HD1 TYR A 82 -13.280 0.873 3.166 1.00 60.20 H new ATOM 0 HD2 TYR A 82 -12.000 1.285 -0.881 1.00 2.31 H new ATOM 0 HE1 TYR A 82 -11.552 2.467 3.873 1.00 51.12 H new ATOM 0 HE2 TYR A 82 -10.269 2.876 -0.171 1.00 74.54 H new ATOM 0 HH TYR A 82 -9.329 3.958 1.509 1.00 54.35 H new ATOM 1370 N GLY A 83 -15.054 -2.277 -1.007 1.00 3.43 N ATOM 1371 CA GLY A 83 -16.174 -3.099 -1.441 1.00 10.01 C ATOM 1372 C GLY A 83 -17.022 -2.399 -2.484 1.00 71.34 C ATOM 1373 O GLY A 83 -16.488 -1.732 -3.375 1.00 23.23 O ATOM 0 H GLY A 83 -14.726 -1.609 -1.705 1.00 3.43 H new ATOM 0 HA2 GLY A 83 -15.798 -4.037 -1.849 1.00 10.01 H new ATOM 0 HA3 GLY A 83 -16.793 -3.351 -0.580 1.00 10.01 H new ATOM 1377 N ALA A 84 -18.343 -2.553 -2.370 1.00 25.11 N ATOM 1378 CA ALA A 84 -19.284 -1.928 -3.302 1.00 33.53 C ATOM 1379 C ALA A 84 -19.831 -0.607 -2.750 1.00 20.43 C ATOM 1380 O ALA A 84 -20.477 0.155 -3.478 1.00 51.55 O ATOM 1381 CB ALA A 84 -20.423 -2.887 -3.619 1.00 43.40 C ATOM 0 H ALA A 84 -18.787 -3.108 -1.638 1.00 25.11 H new ATOM 0 HA ALA A 84 -18.745 -1.701 -4.221 1.00 33.53 H new ATOM 0 HB1 ALA A 84 -21.116 -2.412 -4.313 1.00 43.40 H new ATOM 0 HB2 ALA A 84 -20.020 -3.793 -4.072 1.00 43.40 H new ATOM 0 HB3 ALA A 84 -20.949 -3.144 -2.699 1.00 43.40 H new ATOM 1387 N THR A 85 -19.564 -0.345 -1.464 1.00 42.23 N ATOM 1388 CA THR A 85 -20.020 0.877 -0.804 1.00 52.23 C ATOM 1389 C THR A 85 -18.878 1.900 -0.716 1.00 53.03 C ATOM 1390 O THR A 85 -18.988 3.003 -1.259 1.00 62.14 O ATOM 1391 CB THR A 85 -20.578 0.573 0.615 1.00 63.55 C ATOM 1392 OG1 THR A 85 -21.341 -0.640 0.595 1.00 4.10 O ATOM 1393 CG2 THR A 85 -21.462 1.707 1.129 1.00 23.54 C ATOM 0 H THR A 85 -19.031 -0.970 -0.860 1.00 42.23 H new ATOM 0 HA THR A 85 -20.826 1.300 -1.404 1.00 52.23 H new ATOM 0 HB THR A 85 -19.724 0.469 1.285 1.00 63.55 H new ATOM 0 HG1 THR A 85 -21.687 -0.824 1.493 1.00 4.10 H new ATOM 0 HG21 THR A 85 -21.833 1.457 2.123 1.00 23.54 H new ATOM 0 HG22 THR A 85 -20.880 2.628 1.179 1.00 23.54 H new ATOM 0 HG23 THR A 85 -22.305 1.847 0.452 1.00 23.54 H new ATOM 1401 N GLY A 86 -17.785 1.520 -0.029 1.00 73.04 N ATOM 1402 CA GLY A 86 -16.628 2.401 0.129 1.00 62.01 C ATOM 1403 C GLY A 86 -16.873 3.541 1.107 1.00 41.14 C ATOM 1404 O GLY A 86 -17.857 3.524 1.853 1.00 62.55 O ATOM 0 H GLY A 86 -17.685 0.611 0.422 1.00 73.04 H new ATOM 0 HA2 GLY A 86 -15.776 1.814 0.471 1.00 62.01 H new ATOM 0 HA3 GLY A 86 -16.359 2.816 -0.843 1.00 62.01 H new ATOM 1408 N HIS A 87 -15.970 4.528 1.098 1.00 12.34 N ATOM 1409 CA HIS A 87 -16.082 5.696 1.972 1.00 52.22 C ATOM 1410 C HIS A 87 -16.717 6.868 1.203 1.00 53.50 C ATOM 1411 O HIS A 87 -16.196 7.263 0.156 1.00 4.31 O ATOM 1412 CB HIS A 87 -14.701 6.093 2.514 1.00 33.04 C ATOM 1413 CG HIS A 87 -14.748 6.875 3.796 1.00 43.33 C ATOM 1414 ND1 HIS A 87 -14.361 6.369 5.017 1.00 62.14 N ATOM 1415 CD2 HIS A 87 -15.144 8.154 4.030 1.00 34.33 C ATOM 1416 CE1 HIS A 87 -14.529 7.333 5.934 1.00 71.03 C ATOM 1417 NE2 HIS A 87 -15.001 8.436 5.386 1.00 2.31 N ATOM 0 H HIS A 87 -15.150 4.539 0.491 1.00 12.34 H new ATOM 0 HA HIS A 87 -16.722 5.444 2.818 1.00 52.22 H new ATOM 0 HB2 HIS A 87 -14.111 5.190 2.673 1.00 33.04 H new ATOM 0 HB3 HIS A 87 -14.182 6.684 1.759 1.00 33.04 H new ATOM 0 HD2 HIS A 87 -15.511 8.842 3.283 1.00 34.33 H new ATOM 0 HE1 HIS A 87 -14.307 7.221 6.985 1.00 71.03 H new ATOM 0 HE2 HIS A 87 -15.217 9.314 5.858 1.00 2.31 H new ATOM 1425 N PRO A 88 -17.847 7.457 1.707 1.00 43.33 N ATOM 1426 CA PRO A 88 -18.530 8.570 1.016 1.00 44.10 C ATOM 1427 C PRO A 88 -17.733 9.883 1.027 1.00 24.12 C ATOM 1428 O PRO A 88 -17.353 10.383 2.092 1.00 52.53 O ATOM 1429 CB PRO A 88 -19.847 8.724 1.791 1.00 3.31 C ATOM 1430 CG PRO A 88 -19.579 8.165 3.147 1.00 11.32 C ATOM 1431 CD PRO A 88 -18.543 7.088 2.969 1.00 31.53 C ATOM 0 HA PRO A 88 -18.664 8.352 -0.044 1.00 44.10 H new ATOM 0 HB2 PRO A 88 -20.148 9.770 1.850 1.00 3.31 H new ATOM 0 HB3 PRO A 88 -20.657 8.187 1.298 1.00 3.31 H new ATOM 0 HG2 PRO A 88 -19.219 8.941 3.822 1.00 11.32 H new ATOM 0 HG3 PRO A 88 -20.490 7.758 3.586 1.00 11.32 H new ATOM 0 HD2 PRO A 88 -17.851 7.057 3.811 1.00 31.53 H new ATOM 0 HD3 PRO A 88 -19.002 6.102 2.897 1.00 31.53 H new ATOM 1439 N GLY A 89 -17.485 10.417 -0.173 1.00 63.23 N ATOM 1440 CA GLY A 89 -16.751 11.666 -0.311 1.00 34.40 C ATOM 1441 C GLY A 89 -15.350 11.483 -0.866 1.00 12.22 C ATOM 1442 O GLY A 89 -14.955 12.195 -1.794 1.00 23.13 O ATOM 0 H GLY A 89 -17.783 10.001 -1.056 1.00 63.23 H new ATOM 0 HA2 GLY A 89 -17.308 12.336 -0.965 1.00 34.40 H new ATOM 0 HA3 GLY A 89 -16.688 12.151 0.663 1.00 34.40 H new ATOM 1446 N ILE A 90 -14.602 10.529 -0.300 1.00 11.03 N ATOM 1447 CA ILE A 90 -13.223 10.267 -0.729 1.00 12.54 C ATOM 1448 C ILE A 90 -13.145 9.056 -1.671 1.00 61.23 C ATOM 1449 O ILE A 90 -12.563 9.152 -2.756 1.00 42.54 O ATOM 1450 CB ILE A 90 -12.266 10.049 0.483 1.00 64.12 C ATOM 1451 CG1 ILE A 90 -12.575 11.048 1.610 1.00 73.33 C ATOM 1452 CG2 ILE A 90 -10.803 10.192 0.049 1.00 3.31 C ATOM 1453 CD1 ILE A 90 -12.389 10.477 2.999 1.00 60.20 C ATOM 0 H ILE A 90 -14.928 9.926 0.455 1.00 11.03 H new ATOM 0 HA ILE A 90 -12.897 11.155 -1.270 1.00 12.54 H new ATOM 0 HB ILE A 90 -12.426 9.038 0.858 1.00 64.12 H new ATOM 0 HG12 ILE A 90 -11.931 11.920 1.496 1.00 73.33 H new ATOM 0 HG13 ILE A 90 -13.603 11.395 1.504 1.00 73.33 H new ATOM 0 HG21 ILE A 90 -10.152 10.036 0.909 1.00 3.31 H new ATOM 0 HG22 ILE A 90 -10.576 9.450 -0.717 1.00 3.31 H new ATOM 0 HG23 ILE A 90 -10.639 11.191 -0.354 1.00 3.31 H new ATOM 0 HD11 ILE A 90 -12.626 11.240 3.741 1.00 60.20 H new ATOM 0 HD12 ILE A 90 -13.052 9.623 3.133 1.00 60.20 H new ATOM 0 HD13 ILE A 90 -11.355 10.157 3.125 1.00 60.20 H new ATOM 1465 N ILE A 91 -13.730 7.927 -1.251 1.00 33.14 N ATOM 1466 CA ILE A 91 -13.699 6.695 -2.044 1.00 30.21 C ATOM 1467 C ILE A 91 -15.098 6.362 -2.610 1.00 51.24 C ATOM 1468 O ILE A 91 -15.929 5.781 -1.903 1.00 52.40 O ATOM 1469 CB ILE A 91 -13.153 5.483 -1.210 1.00 70.43 C ATOM 1470 CG1 ILE A 91 -11.869 5.849 -0.409 1.00 74.32 C ATOM 1471 CG2 ILE A 91 -12.902 4.256 -2.099 1.00 53.23 C ATOM 1472 CD1 ILE A 91 -10.695 6.391 -1.224 1.00 2.32 C ATOM 0 H ILE A 91 -14.230 7.843 -0.366 1.00 33.14 H new ATOM 0 HA ILE A 91 -13.017 6.868 -2.877 1.00 30.21 H new ATOM 0 HB ILE A 91 -13.929 5.230 -0.488 1.00 70.43 H new ATOM 0 HG12 ILE A 91 -12.135 6.591 0.344 1.00 74.32 H new ATOM 0 HG13 ILE A 91 -11.534 4.960 0.125 1.00 74.32 H new ATOM 0 HG21 ILE A 91 -12.524 3.436 -1.489 1.00 53.23 H new ATOM 0 HG22 ILE A 91 -13.835 3.955 -2.575 1.00 53.23 H new ATOM 0 HG23 ILE A 91 -12.168 4.506 -2.865 1.00 53.23 H new ATOM 0 HD11 ILE A 91 -9.860 6.610 -0.558 1.00 2.32 H new ATOM 0 HD12 ILE A 91 -10.388 5.647 -1.959 1.00 2.32 H new ATOM 0 HD13 ILE A 91 -10.999 7.304 -1.737 1.00 2.32 H new ATOM 1484 N PRO A 92 -15.385 6.725 -3.898 1.00 65.32 N ATOM 1485 CA PRO A 92 -16.686 6.430 -4.532 1.00 52.13 C ATOM 1486 C PRO A 92 -16.871 4.927 -4.846 1.00 22.44 C ATOM 1487 O PRO A 92 -15.893 4.173 -4.815 1.00 33.23 O ATOM 1488 CB PRO A 92 -16.649 7.261 -5.823 1.00 2.33 C ATOM 1489 CG PRO A 92 -15.207 7.424 -6.141 1.00 52.44 C ATOM 1490 CD PRO A 92 -14.487 7.470 -4.820 1.00 13.45 C ATOM 0 HA PRO A 92 -17.522 6.676 -3.878 1.00 52.13 H new ATOM 0 HB2 PRO A 92 -17.176 6.755 -6.632 1.00 2.33 H new ATOM 0 HB3 PRO A 92 -17.133 8.228 -5.683 1.00 2.33 H new ATOM 0 HG2 PRO A 92 -14.847 6.596 -6.752 1.00 52.44 H new ATOM 0 HG3 PRO A 92 -15.035 8.338 -6.710 1.00 52.44 H new ATOM 0 HD2 PRO A 92 -13.504 7.003 -4.884 1.00 13.45 H new ATOM 0 HD3 PRO A 92 -14.332 8.496 -4.485 1.00 13.45 H new ATOM 1498 N PRO A 93 -18.123 4.466 -5.153 1.00 53.53 N ATOM 1499 CA PRO A 93 -18.397 3.047 -5.459 1.00 52.41 C ATOM 1500 C PRO A 93 -17.922 2.626 -6.856 1.00 70.11 C ATOM 1501 O PRO A 93 -18.003 3.409 -7.807 1.00 21.32 O ATOM 1502 CB PRO A 93 -19.924 2.956 -5.358 1.00 64.31 C ATOM 1503 CG PRO A 93 -20.421 4.323 -5.691 1.00 30.24 C ATOM 1504 CD PRO A 93 -19.362 5.285 -5.217 1.00 73.21 C ATOM 0 HA PRO A 93 -17.864 2.380 -4.781 1.00 52.41 H new ATOM 0 HB2 PRO A 93 -20.321 2.213 -6.050 1.00 64.31 H new ATOM 0 HB3 PRO A 93 -20.235 2.657 -4.357 1.00 64.31 H new ATOM 0 HG2 PRO A 93 -20.588 4.426 -6.763 1.00 30.24 H new ATOM 0 HG3 PRO A 93 -21.374 4.521 -5.200 1.00 30.24 H new ATOM 0 HD2 PRO A 93 -19.250 6.123 -5.905 1.00 73.21 H new ATOM 0 HD3 PRO A 93 -19.613 5.704 -4.242 1.00 73.21 H new ATOM 1512 N HIS A 94 -17.427 1.374 -6.964 1.00 21.21 N ATOM 1513 CA HIS A 94 -16.928 0.793 -8.237 1.00 45.34 C ATOM 1514 C HIS A 94 -15.810 1.656 -8.862 1.00 60.20 C ATOM 1515 O HIS A 94 -15.757 1.851 -10.084 1.00 61.45 O ATOM 1516 CB HIS A 94 -18.085 0.583 -9.241 1.00 53.42 C ATOM 1517 CG HIS A 94 -19.167 -0.327 -8.739 1.00 13.53 C ATOM 1518 ND1 HIS A 94 -19.101 -1.701 -8.788 1.00 25.22 N ATOM 1519 CD2 HIS A 94 -20.359 -0.030 -8.160 1.00 61.31 C ATOM 1520 CE1 HIS A 94 -20.229 -2.187 -8.250 1.00 14.10 C ATOM 1521 NE2 HIS A 94 -21.025 -1.213 -7.853 1.00 70.34 N ATOM 0 H HIS A 94 -17.361 0.734 -6.172 1.00 21.21 H new ATOM 0 HA HIS A 94 -16.497 -0.180 -8.001 1.00 45.34 H new ATOM 0 HB2 HIS A 94 -18.522 1.551 -9.485 1.00 53.42 H new ATOM 0 HB3 HIS A 94 -17.680 0.174 -10.167 1.00 53.42 H new ATOM 0 HD2 HIS A 94 -20.731 0.966 -7.968 1.00 61.31 H new ATOM 0 HE1 HIS A 94 -20.456 -3.239 -8.154 1.00 14.10 H new ATOM 0 HE2 HIS A 94 -21.940 -1.307 -7.412 1.00 70.34 H new ATOM 1529 N ALA A 95 -14.908 2.150 -8.003 1.00 4.51 N ATOM 1530 CA ALA A 95 -13.800 2.996 -8.436 1.00 71.05 C ATOM 1531 C ALA A 95 -12.453 2.398 -8.057 1.00 4.34 C ATOM 1532 O ALA A 95 -12.241 1.974 -6.917 1.00 71.42 O ATOM 1533 CB ALA A 95 -13.946 4.392 -7.848 1.00 13.05 C ATOM 0 H ALA A 95 -14.929 1.974 -6.999 1.00 4.51 H new ATOM 0 HA ALA A 95 -13.835 3.060 -9.524 1.00 71.05 H new ATOM 0 HB1 ALA A 95 -13.114 5.014 -8.178 1.00 13.05 H new ATOM 0 HB2 ALA A 95 -14.884 4.832 -8.185 1.00 13.05 H new ATOM 0 HB3 ALA A 95 -13.944 4.330 -6.760 1.00 13.05 H new ATOM 1539 N THR A 96 -11.554 2.378 -9.042 1.00 34.22 N ATOM 1540 CA THR A 96 -10.194 1.853 -8.884 1.00 13.14 C ATOM 1541 C THR A 96 -9.267 2.909 -8.266 1.00 22.22 C ATOM 1542 O THR A 96 -9.329 4.090 -8.622 1.00 73.11 O ATOM 1543 CB THR A 96 -9.634 1.389 -10.253 1.00 32.40 C ATOM 1544 OG1 THR A 96 -10.625 0.624 -10.951 1.00 74.25 O ATOM 1545 CG2 THR A 96 -8.372 0.540 -10.099 1.00 64.35 C ATOM 0 H THR A 96 -11.749 2.728 -9.980 1.00 34.22 H new ATOM 0 HA THR A 96 -10.237 0.997 -8.210 1.00 13.14 H new ATOM 0 HB THR A 96 -9.376 2.285 -10.817 1.00 32.40 H new ATOM 0 HG1 THR A 96 -11.045 1.182 -11.639 1.00 74.25 H new ATOM 0 HG21 THR A 96 -8.015 0.237 -11.083 1.00 64.35 H new ATOM 0 HG22 THR A 96 -7.600 1.123 -9.596 1.00 64.35 H new ATOM 0 HG23 THR A 96 -8.600 -0.347 -9.507 1.00 64.35 H new ATOM 1553 N LEU A 97 -8.415 2.457 -7.342 1.00 71.52 N ATOM 1554 CA LEU A 97 -7.469 3.329 -6.645 1.00 52.44 C ATOM 1555 C LEU A 97 -6.025 2.933 -6.963 1.00 25.12 C ATOM 1556 O LEU A 97 -5.751 1.780 -7.311 1.00 65.13 O ATOM 1557 CB LEU A 97 -7.704 3.255 -5.128 1.00 65.44 C ATOM 1558 CG LEU A 97 -9.143 3.518 -4.659 1.00 4.14 C ATOM 1559 CD1 LEU A 97 -9.439 2.728 -3.396 1.00 14.14 C ATOM 1560 CD2 LEU A 97 -9.380 5.002 -4.427 1.00 45.25 C ATOM 0 H LEU A 97 -8.362 1.479 -7.057 1.00 71.52 H new ATOM 0 HA LEU A 97 -7.632 4.351 -6.988 1.00 52.44 H new ATOM 0 HB2 LEU A 97 -7.404 2.266 -4.781 1.00 65.44 H new ATOM 0 HB3 LEU A 97 -7.046 3.976 -4.642 1.00 65.44 H new ATOM 0 HG LEU A 97 -9.822 3.188 -5.445 1.00 4.14 H new ATOM 0 HD11 LEU A 97 -10.462 2.924 -3.075 1.00 14.14 H new ATOM 0 HD12 LEU A 97 -9.320 1.663 -3.596 1.00 14.14 H new ATOM 0 HD13 LEU A 97 -8.748 3.029 -2.608 1.00 14.14 H new ATOM 0 HD21 LEU A 97 -10.406 5.159 -4.096 1.00 45.25 H new ATOM 0 HD22 LEU A 97 -8.693 5.365 -3.663 1.00 45.25 H new ATOM 0 HD23 LEU A 97 -9.211 5.547 -5.356 1.00 45.25 H new ATOM 1572 N VAL A 98 -5.114 3.903 -6.837 1.00 33.31 N ATOM 1573 CA VAL A 98 -3.686 3.684 -7.098 1.00 60.04 C ATOM 1574 C VAL A 98 -2.873 4.089 -5.864 1.00 55.00 C ATOM 1575 O VAL A 98 -3.051 5.185 -5.331 1.00 63.34 O ATOM 1576 CB VAL A 98 -3.195 4.489 -8.346 1.00 0.44 C ATOM 1577 CG1 VAL A 98 -1.738 4.176 -8.688 1.00 51.44 C ATOM 1578 CG2 VAL A 98 -4.079 4.217 -9.560 1.00 72.32 C ATOM 0 H VAL A 98 -5.342 4.856 -6.553 1.00 33.31 H new ATOM 0 HA VAL A 98 -3.540 2.625 -7.309 1.00 60.04 H new ATOM 0 HB VAL A 98 -3.265 5.545 -8.086 1.00 0.44 H new ATOM 0 HG11 VAL A 98 -1.436 4.756 -9.560 1.00 51.44 H new ATOM 0 HG12 VAL A 98 -1.102 4.436 -7.842 1.00 51.44 H new ATOM 0 HG13 VAL A 98 -1.636 3.113 -8.906 1.00 51.44 H new ATOM 0 HG21 VAL A 98 -3.713 4.790 -10.412 1.00 72.32 H new ATOM 0 HG22 VAL A 98 -4.052 3.154 -9.799 1.00 72.32 H new ATOM 0 HG23 VAL A 98 -5.104 4.512 -9.337 1.00 72.32 H new ATOM 1588 N PHE A 99 -1.989 3.192 -5.424 1.00 53.41 N ATOM 1589 CA PHE A 99 -1.140 3.440 -4.258 1.00 43.43 C ATOM 1590 C PHE A 99 0.315 3.118 -4.572 1.00 54.24 C ATOM 1591 O PHE A 99 0.610 2.069 -5.150 1.00 52.42 O ATOM 1592 CB PHE A 99 -1.596 2.594 -3.067 1.00 34.44 C ATOM 1593 CG PHE A 99 -2.910 3.011 -2.468 1.00 35.13 C ATOM 1594 CD1 PHE A 99 -4.100 2.520 -2.976 1.00 2.50 C ATOM 1595 CD2 PHE A 99 -2.954 3.874 -1.386 1.00 32.20 C ATOM 1596 CE1 PHE A 99 -5.310 2.880 -2.419 1.00 43.45 C ATOM 1597 CE2 PHE A 99 -4.163 4.242 -0.825 1.00 71.30 C ATOM 1598 CZ PHE A 99 -5.342 3.742 -1.343 1.00 42.42 C ATOM 0 H PHE A 99 -1.842 2.282 -5.861 1.00 53.41 H new ATOM 0 HA PHE A 99 -1.227 4.496 -4.004 1.00 43.43 H new ATOM 0 HB2 PHE A 99 -1.671 1.554 -3.385 1.00 34.44 H new ATOM 0 HB3 PHE A 99 -0.829 2.637 -2.293 1.00 34.44 H new ATOM 0 HD1 PHE A 99 -4.081 1.846 -3.820 1.00 2.50 H new ATOM 0 HD2 PHE A 99 -2.034 4.264 -0.976 1.00 32.20 H new ATOM 0 HE1 PHE A 99 -6.231 2.487 -2.825 1.00 43.45 H new ATOM 0 HE2 PHE A 99 -4.186 4.919 0.016 1.00 71.30 H new ATOM 0 HZ PHE A 99 -6.288 4.026 -0.906 1.00 42.42 H new ATOM 1608 N ASP A 100 1.212 4.030 -4.195 1.00 61.54 N ATOM 1609 CA ASP A 100 2.643 3.844 -4.419 1.00 40.34 C ATOM 1610 C ASP A 100 3.387 3.770 -3.081 1.00 51.50 C ATOM 1611 O ASP A 100 3.606 4.794 -2.421 1.00 33.42 O ATOM 1612 CB ASP A 100 3.196 4.980 -5.295 1.00 33.13 C ATOM 1613 CG ASP A 100 4.461 4.589 -6.039 1.00 31.24 C ATOM 1614 OD1 ASP A 100 5.561 4.766 -5.475 1.00 54.54 O ATOM 1615 OD2 ASP A 100 4.350 4.105 -7.185 1.00 62.02 O ATOM 0 H ASP A 100 0.970 4.906 -3.732 1.00 61.54 H new ATOM 0 HA ASP A 100 2.798 2.902 -4.945 1.00 40.34 H new ATOM 0 HB2 ASP A 100 2.435 5.280 -6.015 1.00 33.13 H new ATOM 0 HB3 ASP A 100 3.402 5.848 -4.669 1.00 33.13 H new ATOM 1620 N VAL A 101 3.752 2.546 -2.677 1.00 2.04 N ATOM 1621 CA VAL A 101 4.474 2.334 -1.419 1.00 60.42 C ATOM 1622 C VAL A 101 5.954 2.065 -1.678 1.00 12.12 C ATOM 1623 O VAL A 101 6.329 1.570 -2.746 1.00 50.32 O ATOM 1624 CB VAL A 101 3.871 1.184 -0.543 1.00 11.15 C ATOM 1625 CG1 VAL A 101 2.406 1.452 -0.217 1.00 31.41 C ATOM 1626 CG2 VAL A 101 4.021 -0.194 -1.195 1.00 41.23 C ATOM 0 H VAL A 101 3.560 1.692 -3.201 1.00 2.04 H new ATOM 0 HA VAL A 101 4.363 3.259 -0.853 1.00 60.42 H new ATOM 0 HB VAL A 101 4.445 1.172 0.383 1.00 11.15 H new ATOM 0 HG11 VAL A 101 2.014 0.637 0.392 1.00 31.41 H new ATOM 0 HG12 VAL A 101 2.321 2.389 0.333 1.00 31.41 H new ATOM 0 HG13 VAL A 101 1.834 1.521 -1.142 1.00 31.41 H new ATOM 0 HG21 VAL A 101 3.586 -0.953 -0.545 1.00 41.23 H new ATOM 0 HG22 VAL A 101 3.506 -0.200 -2.155 1.00 41.23 H new ATOM 0 HG23 VAL A 101 5.078 -0.410 -1.349 1.00 41.23 H new ATOM 1636 N GLU A 102 6.778 2.394 -0.688 1.00 33.11 N ATOM 1637 CA GLU A 102 8.222 2.186 -0.777 1.00 1.22 C ATOM 1638 C GLU A 102 8.721 1.423 0.447 1.00 51.22 C ATOM 1639 O GLU A 102 8.491 1.844 1.583 1.00 12.21 O ATOM 1640 CB GLU A 102 8.978 3.524 -0.943 1.00 41.11 C ATOM 1641 CG GLU A 102 8.623 4.605 0.077 1.00 34.12 C ATOM 1642 CD GLU A 102 9.412 5.884 -0.128 1.00 72.23 C ATOM 1643 OE1 GLU A 102 10.511 6.003 0.453 1.00 62.13 O ATOM 1644 OE2 GLU A 102 8.931 6.765 -0.871 1.00 41.33 O ATOM 0 H GLU A 102 6.469 2.809 0.191 1.00 33.11 H new ATOM 0 HA GLU A 102 8.424 1.588 -1.666 1.00 1.22 H new ATOM 0 HB2 GLU A 102 10.048 3.328 -0.882 1.00 41.11 H new ATOM 0 HB3 GLU A 102 8.781 3.912 -1.942 1.00 41.11 H new ATOM 0 HG2 GLU A 102 7.558 4.825 0.011 1.00 34.12 H new ATOM 0 HG3 GLU A 102 8.808 4.226 1.082 1.00 34.12 H new ATOM 1651 N LEU A 103 9.421 0.311 0.196 1.00 24.24 N ATOM 1652 CA LEU A 103 9.962 -0.545 1.258 1.00 4.34 C ATOM 1653 C LEU A 103 11.163 0.135 1.937 1.00 3.51 C ATOM 1654 O LEU A 103 12.268 0.167 1.384 1.00 64.00 O ATOM 1655 CB LEU A 103 10.384 -1.902 0.648 1.00 3.14 C ATOM 1656 CG LEU A 103 9.912 -3.210 1.341 1.00 43.24 C ATOM 1657 CD1 LEU A 103 10.323 -3.279 2.808 1.00 32.51 C ATOM 1658 CD2 LEU A 103 8.407 -3.407 1.197 1.00 21.32 C ATOM 0 H LEU A 103 9.628 -0.020 -0.746 1.00 24.24 H new ATOM 0 HA LEU A 103 9.196 -0.711 2.015 1.00 4.34 H new ATOM 0 HB2 LEU A 103 10.028 -1.927 -0.382 1.00 3.14 H new ATOM 0 HB3 LEU A 103 11.473 -1.923 0.609 1.00 3.14 H new ATOM 0 HG LEU A 103 10.418 -4.026 0.826 1.00 43.24 H new ATOM 0 HD11 LEU A 103 9.967 -4.213 3.242 1.00 32.51 H new ATOM 0 HD12 LEU A 103 11.409 -3.234 2.884 1.00 32.51 H new ATOM 0 HD13 LEU A 103 9.887 -2.439 3.348 1.00 32.51 H new ATOM 0 HD21 LEU A 103 8.112 -4.331 1.693 1.00 21.32 H new ATOM 0 HD22 LEU A 103 7.885 -2.567 1.654 1.00 21.32 H new ATOM 0 HD23 LEU A 103 8.147 -3.464 0.140 1.00 21.32 H new ATOM 1670 N LEU A 104 10.924 0.706 3.126 1.00 4.14 N ATOM 1671 CA LEU A 104 11.967 1.403 3.880 1.00 44.13 C ATOM 1672 C LEU A 104 12.703 0.450 4.828 1.00 0.54 C ATOM 1673 O LEU A 104 13.924 0.297 4.730 1.00 14.41 O ATOM 1674 CB LEU A 104 11.354 2.584 4.661 1.00 71.51 C ATOM 1675 CG LEU A 104 10.448 3.523 3.843 1.00 54.14 C ATOM 1676 CD1 LEU A 104 9.451 4.235 4.743 1.00 73.51 C ATOM 1677 CD2 LEU A 104 11.276 4.537 3.065 1.00 62.23 C ATOM 0 H LEU A 104 10.013 0.697 3.585 1.00 4.14 H new ATOM 0 HA LEU A 104 12.699 1.790 3.171 1.00 44.13 H new ATOM 0 HB2 LEU A 104 10.775 2.184 5.494 1.00 71.51 H new ATOM 0 HB3 LEU A 104 12.165 3.173 5.090 1.00 71.51 H new ATOM 0 HG LEU A 104 9.894 2.912 3.130 1.00 54.14 H new ATOM 0 HD11 LEU A 104 8.823 4.892 4.142 1.00 73.51 H new ATOM 0 HD12 LEU A 104 8.826 3.498 5.248 1.00 73.51 H new ATOM 0 HD13 LEU A 104 9.988 4.826 5.485 1.00 73.51 H new ATOM 0 HD21 LEU A 104 10.613 5.188 2.496 1.00 62.23 H new ATOM 0 HD22 LEU A 104 11.864 5.136 3.760 1.00 62.23 H new ATOM 0 HD23 LEU A 104 11.945 4.013 2.382 1.00 62.23 H new HETATM 1689 N MLY A 105 11.950 -0.187 5.743 1.00 1.45 N HETATM 1690 CA MLY A 105 12.513 -1.132 6.722 1.00 43.20 C HETATM 1691 CB MLY A 105 13.359 -0.392 7.791 1.00 74.32 C HETATM 1692 CG MLY A 105 12.595 0.631 8.636 1.00 22.12 C HETATM 1693 CD MLY A 105 13.531 1.610 9.340 1.00 71.52 C HETATM 1694 CE MLY A 105 13.663 1.287 10.822 1.00 2.14 C HETATM 1695 NZ MLY A 105 14.567 2.256 11.466 1.00 24.33 N HETATM 1696 CH1 MLY A 105 15.720 1.547 12.043 1.00 41.55 C HETATM 1697 CH2 MLY A 105 13.848 2.968 12.533 1.00 22.51 C HETATM 1698 C MLY A 105 11.399 -1.970 7.375 1.00 74.02 C HETATM 1699 O MLY A 105 10.211 -1.696 7.177 1.00 23.23 O HETATM 0 HH23 MLY A 105 12.995 3.496 12.107 1.00 22.51 H new HETATM 0 HH22 MLY A 105 13.497 2.252 13.276 1.00 22.51 H new HETATM 0 HH21 MLY A 105 14.518 3.684 13.008 1.00 22.51 H new HETATM 0 HH13 MLY A 105 15.371 0.829 12.785 1.00 41.55 H new HETATM 0 HH12 MLY A 105 16.256 1.021 11.253 1.00 41.55 H new HETATM 0 HH11 MLY A 105 16.388 2.265 12.519 1.00 41.55 H new HETATM 0 HG3 MLY A 105 11.906 1.184 7.998 1.00 22.12 H new HETATM 0 HG2 MLY A 105 11.992 0.109 9.379 1.00 22.12 H new HETATM 0 HE3 MLY A 105 12.683 1.317 11.299 1.00 2.14 H new HETATM 0 HE2 MLY A 105 14.049 0.276 10.950 1.00 2.14 H new HETATM 0 HD3 MLY A 105 14.514 1.577 8.870 1.00 71.52 H new HETATM 0 HD2 MLY A 105 13.154 2.626 9.220 1.00 71.52 H new HETATM 0 HB3 MLY A 105 13.800 -1.133 8.458 1.00 74.32 H new HETATM 0 HB2 MLY A 105 14.183 0.117 7.290 1.00 74.32 H new HETATM 0 HA MLY A 105 13.178 -1.813 6.190 1.00 43.20 H new ATOM 1716 N LEU A 106 11.802 -2.982 8.149 1.00 51.44 N ATOM 1717 CA LEU A 106 10.854 -3.866 8.836 1.00 50.34 C ATOM 1718 C LEU A 106 11.101 -3.860 10.341 1.00 15.14 C ATOM 1719 O LEU A 106 12.245 -3.735 10.788 1.00 24.35 O ATOM 1720 CB LEU A 106 10.958 -5.305 8.299 1.00 64.41 C ATOM 1721 CG LEU A 106 10.903 -5.465 6.769 1.00 43.31 C ATOM 1722 CD1 LEU A 106 11.504 -6.799 6.355 1.00 23.33 C ATOM 1723 CD2 LEU A 106 9.472 -5.352 6.256 1.00 3.23 C ATOM 0 H LEU A 106 12.782 -3.210 8.316 1.00 51.44 H new ATOM 0 HA LEU A 106 9.850 -3.490 8.641 1.00 50.34 H new ATOM 0 HB2 LEU A 106 11.893 -5.737 8.655 1.00 64.41 H new ATOM 0 HB3 LEU A 106 10.149 -5.892 8.734 1.00 64.41 H new ATOM 0 HG LEU A 106 11.488 -4.659 6.325 1.00 43.31 H new ATOM 0 HD11 LEU A 106 11.458 -6.898 5.270 1.00 23.33 H new ATOM 0 HD12 LEU A 106 12.543 -6.846 6.680 1.00 23.33 H new ATOM 0 HD13 LEU A 106 10.942 -7.610 6.817 1.00 23.33 H new ATOM 0 HD21 LEU A 106 9.464 -5.469 5.172 1.00 3.23 H new ATOM 0 HD22 LEU A 106 8.860 -6.132 6.710 1.00 3.23 H new ATOM 0 HD23 LEU A 106 9.067 -4.374 6.519 1.00 3.23 H new ATOM 1735 N GLU A 107 10.017 -3.995 11.114 1.00 12.24 N ATOM 1736 CA GLU A 107 10.101 -4.010 12.577 1.00 25.05 C ATOM 1737 C GLU A 107 9.387 -5.230 13.148 1.00 14.04 C ATOM 1738 O GLU A 107 10.001 -6.069 13.807 1.00 15.01 O ATOM 1739 CB GLU A 107 9.501 -2.731 13.173 1.00 65.53 C ATOM 1740 CG GLU A 107 10.293 -1.469 12.867 1.00 41.44 C ATOM 1741 CD GLU A 107 9.816 -0.275 13.670 1.00 62.30 C ATOM 1742 OE1 GLU A 107 10.505 0.102 14.641 1.00 0.45 O ATOM 1743 OE2 GLU A 107 8.750 0.283 13.330 1.00 25.40 O ATOM 0 H GLU A 107 9.070 -4.096 10.749 1.00 12.24 H new ATOM 0 HA GLU A 107 11.156 -4.061 12.847 1.00 25.05 H new ATOM 0 HB2 GLU A 107 8.486 -2.610 12.796 1.00 65.53 H new ATOM 0 HB3 GLU A 107 9.428 -2.847 14.254 1.00 65.53 H new ATOM 0 HG2 GLU A 107 11.348 -1.646 13.077 1.00 41.44 H new ATOM 0 HG3 GLU A 107 10.213 -1.243 11.804 1.00 41.44 H new TER 1750 GLU A 107