USER MOD reduce.3.24.130724 H: found=0, std=0, add=911, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 911 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 91 LYS NZ :NH3+ -171:sc= -0.0183 (180deg=-0.119) USER MOD Set 1.2: A 96 ASN : amide:sc= -0.764 K(o=-0.78,f=-3.6!) USER MOD Set 2.1: A 48 THR OG1 : rot 46:sc= 0.805 USER MOD Set 2.2: A 51 SER OG : rot 128:sc= 0.848 USER MOD Set 3.1: A 36 LYS NZ :NH3+ -176:sc= 0.0796 (180deg=0) USER MOD Set 3.2: A 44 GLN : amide:sc= -0.512 X(o=-0.43,f=-0.74) USER MOD Set 4.1: A 30 LYS NZ :NH3+ -110:sc= 1.28 (180deg=-0.0143) USER MOD Set 4.2: A 32 TYR OH : rot 180:sc= 0.863 USER MOD Set 5.1: A 28 GLN :FLIP amide:sc= -2.07! C(o=-0.91!,f=0.23!) USER MOD Set 5.2: A 55 TYR OH : rot 180:sc= 0.338 USER MOD Set 5.3: A 92 TYR OH : rot -161:sc= 1.38 USER MOD Set 5.4: A 99 TYR OH : rot -48:sc= 0.581 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -110:sc= 1.2 (180deg=0.652) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc=-0.00596 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0.411 K(o=0.41,f=-2.1) USER MOD Single : A 21 MET CE :methyl 169:sc= -0.0439 (180deg=-0.264) USER MOD Single : A 29 SER OG : rot 80:sc= 0.327 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 65:sc= 0.554 USER MOD Single : A 40 THR OG1 : rot -168:sc= -0.427 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -54:sc= 0.199 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -76:sc= 1.24 USER MOD Single : A 57 LYS NZ :NH3+ -142:sc= 0.338 (180deg=0.00338) USER MOD Single : A 61 LYS NZ :NH3+ 142:sc= -1.21 (180deg=-3.21!) USER MOD Single : A 62 GLN : amide:sc= -0.413 X(o=-0.41,f=-0.49) USER MOD Single : A 66 LYS NZ :NH3+ 142:sc= -0.673 (180deg=-2.56!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 CYS SG : rot 50:sc= -4.23! USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot -130:sc= -0.173 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.372 F(o=-0.96,f=-0.37) USER MOD Single : A 78 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0129) USER MOD Single : A 80 ASN : amide:sc= -0.0745 K(o=-0.074,f=-2.8!) USER MOD Single : A 81 LYS NZ :NH3+ -170:sc= 1.35 (180deg=1.05) USER MOD Single : A 82 LYS NZ :NH3+ 153:sc=-0.00935 (180deg=-0.109) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.758 K(o=-0.76,f=-1.6!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 120:sc= 0.431 USER MOD Single : A 107 MET CE :methyl -140:sc= -0.592 (180deg=-2.46!) USER MOD Single : A 108 ASN : amide:sc= -1.33 X(o=-1.3,f=-1.2) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 75:sc= 0.202 USER MOD Single : A 114 MET CE :methyl -141:sc= 0 (180deg=-0.0265) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.885 17.115 -3.545 1.00 41.44 N ATOM 2 CA GLY A 1 15.059 16.715 -4.350 1.00 34.34 C ATOM 3 C GLY A 1 15.139 15.203 -4.500 1.00 75.42 C ATOM 4 O GLY A 1 14.826 14.666 -5.567 1.00 31.43 O ATOM 0 H1 GLY A 1 13.858 18.151 -3.461 1.00 41.44 H new ATOM 0 H2 GLY A 1 13.016 16.783 -4.010 1.00 41.44 H new ATOM 0 H3 GLY A 1 13.954 16.693 -2.597 1.00 41.44 H new ATOM 0 HA2 GLY A 1 15.001 17.178 -5.335 1.00 34.34 H new ATOM 0 HA3 GLY A 1 15.969 17.084 -3.877 1.00 34.34 H new ATOM 10 N GLU A 2 15.522 14.509 -3.414 1.00 24.31 N ATOM 11 CA GLU A 2 15.685 13.043 -3.408 1.00 54.42 C ATOM 12 C GLU A 2 14.401 12.342 -2.921 1.00 11.00 C ATOM 13 O GLU A 2 13.715 12.825 -2.014 1.00 24.23 O ATOM 14 CB GLU A 2 16.880 12.648 -2.496 1.00 24.03 C ATOM 15 CG GLU A 2 17.188 11.126 -2.400 1.00 40.13 C ATOM 16 CD GLU A 2 17.577 10.476 -3.745 1.00 63.42 C ATOM 17 OE1 GLU A 2 16.674 10.091 -4.523 1.00 72.24 O ATOM 18 OE2 GLU A 2 18.785 10.344 -4.040 1.00 11.41 O ATOM 0 H GLU A 2 15.727 14.947 -2.516 1.00 24.31 H new ATOM 0 HA GLU A 2 15.883 12.719 -4.430 1.00 54.42 H new ATOM 0 HB2 GLU A 2 17.773 13.157 -2.859 1.00 24.03 H new ATOM 0 HB3 GLU A 2 16.685 13.024 -1.491 1.00 24.03 H new ATOM 0 HG2 GLU A 2 17.999 10.974 -1.687 1.00 40.13 H new ATOM 0 HG3 GLU A 2 16.313 10.614 -2.001 1.00 40.13 H new ATOM 25 N ILE A 3 14.093 11.214 -3.565 1.00 30.44 N ATOM 26 CA ILE A 3 13.068 10.257 -3.143 1.00 1.24 C ATOM 27 C ILE A 3 13.819 9.063 -2.514 1.00 4.32 C ATOM 28 O ILE A 3 14.482 8.296 -3.229 1.00 0.41 O ATOM 29 CB ILE A 3 12.199 9.788 -4.377 1.00 35.31 C ATOM 30 CG1 ILE A 3 11.596 11.018 -5.146 1.00 74.12 C ATOM 31 CG2 ILE A 3 11.086 8.800 -3.951 1.00 2.53 C ATOM 32 CD1 ILE A 3 10.570 11.832 -4.374 1.00 11.22 C ATOM 0 H ILE A 3 14.566 10.932 -4.424 1.00 30.44 H new ATOM 0 HA ILE A 3 12.380 10.707 -2.428 1.00 1.24 H new ATOM 0 HB ILE A 3 12.864 9.257 -5.058 1.00 35.31 H new ATOM 0 HG12 ILE A 3 12.413 11.678 -5.438 1.00 74.12 H new ATOM 0 HG13 ILE A 3 11.133 10.659 -6.065 1.00 74.12 H new ATOM 0 HG21 ILE A 3 10.510 8.501 -4.827 1.00 2.53 H new ATOM 0 HG22 ILE A 3 11.537 7.919 -3.495 1.00 2.53 H new ATOM 0 HG23 ILE A 3 10.426 9.284 -3.231 1.00 2.53 H new ATOM 0 HD11 ILE A 3 10.218 12.656 -4.995 1.00 11.22 H new ATOM 0 HD12 ILE A 3 9.728 11.195 -4.105 1.00 11.22 H new ATOM 0 HD13 ILE A 3 11.028 12.230 -3.468 1.00 11.22 H new ATOM 44 N LEU A 4 13.733 8.948 -1.179 1.00 65.45 N ATOM 45 CA LEU A 4 14.593 8.070 -0.372 1.00 62.15 C ATOM 46 C LEU A 4 14.365 6.572 -0.681 1.00 72.34 C ATOM 47 O LEU A 4 13.269 6.154 -1.070 1.00 3.13 O ATOM 48 CB LEU A 4 14.360 8.316 1.147 1.00 4.42 C ATOM 49 CG LEU A 4 14.478 9.781 1.677 1.00 55.44 C ATOM 50 CD1 LEU A 4 15.751 10.488 1.179 1.00 40.33 C ATOM 51 CD2 LEU A 4 13.223 10.614 1.406 1.00 70.44 C ATOM 0 H LEU A 4 13.055 9.469 -0.623 1.00 65.45 H new ATOM 0 HA LEU A 4 15.621 8.319 -0.637 1.00 62.15 H new ATOM 0 HB2 LEU A 4 13.364 7.949 1.396 1.00 4.42 H new ATOM 0 HB3 LEU A 4 15.073 7.703 1.698 1.00 4.42 H new ATOM 0 HG LEU A 4 14.566 9.696 2.760 1.00 55.44 H new ATOM 0 HD11 LEU A 4 15.783 11.502 1.577 1.00 40.33 H new ATOM 0 HD12 LEU A 4 16.629 9.938 1.517 1.00 40.33 H new ATOM 0 HD13 LEU A 4 15.744 10.525 0.090 1.00 40.33 H new ATOM 0 HD21 LEU A 4 13.364 11.622 1.797 1.00 70.44 H new ATOM 0 HD22 LEU A 4 13.044 10.663 0.332 1.00 70.44 H new ATOM 0 HD23 LEU A 4 12.366 10.151 1.896 1.00 70.44 H new ATOM 63 N LYS A 5 15.425 5.777 -0.453 1.00 24.44 N ATOM 64 CA LYS A 5 15.446 4.332 -0.724 1.00 11.24 C ATOM 65 C LYS A 5 15.100 3.554 0.571 1.00 33.43 C ATOM 66 O LYS A 5 15.366 2.354 0.689 1.00 23.44 O ATOM 67 CB LYS A 5 16.856 3.942 -1.249 1.00 35.45 C ATOM 68 CG LYS A 5 17.564 4.993 -2.148 1.00 73.34 C ATOM 69 CD LYS A 5 16.707 5.541 -3.320 1.00 61.25 C ATOM 70 CE LYS A 5 17.405 6.704 -4.048 1.00 64.44 C ATOM 71 NZ LYS A 5 16.533 7.324 -5.072 1.00 30.40 N ATOM 0 H LYS A 5 16.303 6.127 -0.070 1.00 24.44 H new ATOM 0 HA LYS A 5 14.704 4.077 -1.480 1.00 11.24 H new ATOM 0 HB2 LYS A 5 17.497 3.736 -0.392 1.00 35.45 H new ATOM 0 HB3 LYS A 5 16.768 3.013 -1.812 1.00 35.45 H new ATOM 0 HG2 LYS A 5 17.876 5.830 -1.524 1.00 73.34 H new ATOM 0 HG3 LYS A 5 18.470 4.546 -2.558 1.00 73.34 H new ATOM 0 HD2 LYS A 5 16.506 4.738 -4.029 1.00 61.25 H new ATOM 0 HD3 LYS A 5 15.743 5.878 -2.938 1.00 61.25 H new ATOM 0 HE2 LYS A 5 17.703 7.459 -3.321 1.00 64.44 H new ATOM 0 HE3 LYS A 5 18.317 6.340 -4.521 1.00 64.44 H new ATOM 0 HZ1 LYS A 5 16.895 7.097 -6.020 1.00 30.40 H new ATOM 0 HZ2 LYS A 5 15.566 6.955 -4.974 1.00 30.40 H new ATOM 0 HZ3 LYS A 5 16.525 8.356 -4.942 1.00 30.40 H new ATOM 85 N GLU A 6 14.415 4.260 1.485 1.00 74.44 N ATOM 86 CA GLU A 6 14.331 3.929 2.923 1.00 15.25 C ATOM 87 C GLU A 6 13.436 4.972 3.609 1.00 3.44 C ATOM 88 O GLU A 6 13.126 6.000 3.008 1.00 64.33 O ATOM 89 CB GLU A 6 15.733 3.962 3.588 1.00 52.44 C ATOM 90 CG GLU A 6 16.375 5.370 3.603 1.00 50.11 C ATOM 91 CD GLU A 6 17.774 5.414 4.239 1.00 44.41 C ATOM 92 OE1 GLU A 6 18.686 4.709 3.748 1.00 13.31 O ATOM 93 OE2 GLU A 6 17.997 6.192 5.191 1.00 73.22 O ATOM 0 H GLU A 6 13.889 5.099 1.241 1.00 74.44 H new ATOM 0 HA GLU A 6 13.921 2.925 3.029 1.00 15.25 H new ATOM 0 HB2 GLU A 6 15.649 3.598 4.612 1.00 52.44 H new ATOM 0 HB3 GLU A 6 16.394 3.275 3.059 1.00 52.44 H new ATOM 0 HG2 GLU A 6 16.441 5.739 2.579 1.00 50.11 H new ATOM 0 HG3 GLU A 6 15.719 6.051 4.145 1.00 50.11 H new ATOM 100 N LEU A 7 13.084 4.738 4.873 1.00 41.10 N ATOM 101 CA LEU A 7 12.299 5.690 5.669 1.00 63.42 C ATOM 102 C LEU A 7 13.176 6.891 6.105 1.00 52.33 C ATOM 103 O LEU A 7 14.222 6.685 6.721 1.00 14.43 O ATOM 104 CB LEU A 7 11.688 4.994 6.913 1.00 21.43 C ATOM 105 CG LEU A 7 10.668 3.867 6.622 1.00 64.22 C ATOM 106 CD1 LEU A 7 10.073 3.301 7.907 1.00 33.41 C ATOM 107 CD2 LEU A 7 9.563 4.332 5.655 1.00 63.51 C ATOM 0 H LEU A 7 13.333 3.886 5.376 1.00 41.10 H new ATOM 0 HA LEU A 7 11.485 6.061 5.046 1.00 63.42 H new ATOM 0 HB2 LEU A 7 12.501 4.578 7.509 1.00 21.43 H new ATOM 0 HB3 LEU A 7 11.199 5.751 7.526 1.00 21.43 H new ATOM 0 HG LEU A 7 11.215 3.063 6.130 1.00 64.22 H new ATOM 0 HD11 LEU A 7 9.362 2.512 7.662 1.00 33.41 H new ATOM 0 HD12 LEU A 7 10.870 2.891 8.527 1.00 33.41 H new ATOM 0 HD13 LEU A 7 9.561 4.095 8.452 1.00 33.41 H new ATOM 0 HD21 LEU A 7 8.867 3.512 5.476 1.00 63.51 H new ATOM 0 HD22 LEU A 7 9.027 5.174 6.093 1.00 63.51 H new ATOM 0 HD23 LEU A 7 10.012 4.639 4.710 1.00 63.51 H new ATOM 119 N PRO A 8 12.797 8.141 5.716 1.00 24.31 N ATOM 120 CA PRO A 8 13.324 9.382 6.335 1.00 14.54 C ATOM 121 C PRO A 8 12.899 9.523 7.821 1.00 43.23 C ATOM 122 O PRO A 8 12.357 8.589 8.433 1.00 13.14 O ATOM 123 CB PRO A 8 12.733 10.515 5.435 1.00 11.35 C ATOM 124 CG PRO A 8 11.554 9.891 4.744 1.00 10.31 C ATOM 125 CD PRO A 8 11.914 8.435 4.571 1.00 62.11 C ATOM 0 HA PRO A 8 14.413 9.404 6.373 1.00 14.54 H new ATOM 0 HB2 PRO A 8 12.430 11.375 6.032 1.00 11.35 H new ATOM 0 HB3 PRO A 8 13.469 10.871 4.714 1.00 11.35 H new ATOM 0 HG2 PRO A 8 10.646 10.003 5.337 1.00 10.31 H new ATOM 0 HG3 PRO A 8 11.366 10.366 3.781 1.00 10.31 H new ATOM 0 HD2 PRO A 8 11.027 7.802 4.580 1.00 62.11 H new ATOM 0 HD3 PRO A 8 12.421 8.260 3.622 1.00 62.11 H new ATOM 133 N GLU A 9 13.140 10.709 8.376 1.00 12.44 N ATOM 134 CA GLU A 9 13.027 10.961 9.822 1.00 52.41 C ATOM 135 C GLU A 9 11.570 10.953 10.298 1.00 12.04 C ATOM 136 O GLU A 9 10.692 11.518 9.641 1.00 73.04 O ATOM 137 CB GLU A 9 13.690 12.308 10.195 1.00 13.24 C ATOM 138 CG GLU A 9 15.202 12.384 9.894 1.00 5.21 C ATOM 139 CD GLU A 9 15.549 12.644 8.408 1.00 35.02 C ATOM 140 OE1 GLU A 9 15.536 13.814 7.986 1.00 61.24 O ATOM 141 OE2 GLU A 9 15.819 11.685 7.660 1.00 61.14 O ATOM 0 H GLU A 9 13.421 11.529 7.838 1.00 12.44 H new ATOM 0 HA GLU A 9 13.549 10.148 10.326 1.00 52.41 H new ATOM 0 HB2 GLU A 9 13.185 13.109 9.655 1.00 13.24 H new ATOM 0 HB3 GLU A 9 13.535 12.493 11.258 1.00 13.24 H new ATOM 0 HG2 GLU A 9 15.641 13.176 10.500 1.00 5.21 H new ATOM 0 HG3 GLU A 9 15.669 11.449 10.205 1.00 5.21 H new ATOM 148 N GLY A 10 11.335 10.286 11.439 1.00 41.41 N ATOM 149 CA GLY A 10 10.041 10.321 12.110 1.00 31.32 C ATOM 150 C GLY A 10 9.099 9.198 11.702 1.00 74.01 C ATOM 151 O GLY A 10 8.070 8.990 12.362 1.00 4.22 O ATOM 0 H GLY A 10 12.034 9.714 11.913 1.00 41.41 H new ATOM 0 HA2 GLY A 10 10.201 10.273 13.187 1.00 31.32 H new ATOM 0 HA3 GLY A 10 9.561 11.277 11.901 1.00 31.32 H new ATOM 155 N PHE A 11 9.438 8.465 10.621 1.00 60.33 N ATOM 156 CA PHE A 11 8.611 7.332 10.142 1.00 64.21 C ATOM 157 C PHE A 11 9.085 6.034 10.799 1.00 21.33 C ATOM 158 O PHE A 11 10.267 5.683 10.739 1.00 3.33 O ATOM 159 CB PHE A 11 8.638 7.193 8.602 1.00 60.55 C ATOM 160 CG PHE A 11 8.227 8.458 7.885 1.00 21.21 C ATOM 161 CD1 PHE A 11 9.173 9.418 7.659 1.00 71.12 C ATOM 162 CD2 PHE A 11 6.925 8.689 7.455 1.00 72.34 C ATOM 163 CE1 PHE A 11 8.868 10.594 7.022 1.00 1.23 C ATOM 164 CE2 PHE A 11 6.608 9.860 6.812 1.00 40.23 C ATOM 165 CZ PHE A 11 7.586 10.812 6.595 1.00 15.01 C ATOM 0 H PHE A 11 10.275 8.635 10.063 1.00 60.33 H new ATOM 0 HA PHE A 11 7.578 7.535 10.426 1.00 64.21 H new ATOM 0 HB2 PHE A 11 9.643 6.914 8.286 1.00 60.55 H new ATOM 0 HB3 PHE A 11 7.973 6.382 8.305 1.00 60.55 H new ATOM 0 HD1 PHE A 11 10.187 9.246 7.990 1.00 71.12 H new ATOM 0 HD2 PHE A 11 6.161 7.945 7.627 1.00 72.34 H new ATOM 0 HE1 PHE A 11 9.632 11.340 6.859 1.00 1.23 H new ATOM 0 HE2 PHE A 11 5.597 10.037 6.477 1.00 40.23 H new ATOM 0 HZ PHE A 11 7.338 11.732 6.086 1.00 15.01 H new ATOM 175 N ASP A 12 8.134 5.352 11.420 1.00 42.23 N ATOM 176 CA ASP A 12 8.352 4.105 12.173 1.00 70.10 C ATOM 177 C ASP A 12 8.165 2.896 11.250 1.00 60.44 C ATOM 178 O ASP A 12 7.112 2.761 10.633 1.00 21.21 O ATOM 179 CB ASP A 12 7.354 4.043 13.354 1.00 75.43 C ATOM 180 CG ASP A 12 7.560 5.186 14.363 1.00 63.03 C ATOM 181 OD1 ASP A 12 8.376 5.034 15.296 1.00 23.04 O ATOM 182 OD2 ASP A 12 6.926 6.256 14.215 1.00 1.24 O ATOM 0 H ASP A 12 7.159 5.651 11.420 1.00 42.23 H new ATOM 0 HA ASP A 12 9.370 4.085 12.563 1.00 70.10 H new ATOM 0 HB2 ASP A 12 6.336 4.084 12.967 1.00 75.43 H new ATOM 0 HB3 ASP A 12 7.462 3.087 13.866 1.00 75.43 H new ATOM 187 N LYS A 13 9.185 2.019 11.186 1.00 51.22 N ATOM 188 CA LYS A 13 9.221 0.837 10.313 1.00 43.13 C ATOM 189 C LYS A 13 8.047 -0.116 10.583 1.00 51.01 C ATOM 190 O LYS A 13 7.410 -0.612 9.652 1.00 45.51 O ATOM 191 CB LYS A 13 10.566 0.108 10.531 1.00 43.13 C ATOM 192 CG LYS A 13 11.811 0.997 10.284 1.00 0.33 C ATOM 193 CD LYS A 13 13.153 0.277 10.550 1.00 63.21 C ATOM 194 CE LYS A 13 13.421 -0.868 9.563 1.00 54.45 C ATOM 195 NZ LYS A 13 14.752 -1.492 9.785 1.00 22.24 N ATOM 0 H LYS A 13 10.026 2.118 11.755 1.00 51.22 H new ATOM 0 HA LYS A 13 9.128 1.164 9.278 1.00 43.13 H new ATOM 0 HB2 LYS A 13 10.600 -0.272 11.552 1.00 43.13 H new ATOM 0 HB3 LYS A 13 10.611 -0.756 9.868 1.00 43.13 H new ATOM 0 HG2 LYS A 13 11.796 1.349 9.252 1.00 0.33 H new ATOM 0 HG3 LYS A 13 11.749 1.878 10.922 1.00 0.33 H new ATOM 0 HD2 LYS A 13 13.966 1.000 10.489 1.00 63.21 H new ATOM 0 HD3 LYS A 13 13.153 -0.118 11.566 1.00 63.21 H new ATOM 0 HE2 LYS A 13 12.644 -1.625 9.666 1.00 54.45 H new ATOM 0 HE3 LYS A 13 13.364 -0.489 8.543 1.00 54.45 H new ATOM 0 HZ1 LYS A 13 14.894 -2.260 9.099 1.00 22.24 H new ATOM 0 HZ2 LYS A 13 15.496 -0.776 9.662 1.00 22.24 H new ATOM 0 HZ3 LYS A 13 14.798 -1.877 10.750 1.00 22.24 H new ATOM 209 N GLU A 14 7.784 -0.345 11.877 1.00 31.35 N ATOM 210 CA GLU A 14 6.698 -1.218 12.345 1.00 21.10 C ATOM 211 C GLU A 14 5.311 -0.672 11.941 1.00 35.31 C ATOM 212 O GLU A 14 4.438 -1.438 11.507 1.00 71.23 O ATOM 213 CB GLU A 14 6.786 -1.399 13.877 1.00 73.02 C ATOM 214 CG GLU A 14 8.138 -1.959 14.361 1.00 45.02 C ATOM 215 CD GLU A 14 8.164 -2.224 15.868 1.00 32.41 C ATOM 216 OE1 GLU A 14 8.322 -1.265 16.642 1.00 53.52 O ATOM 217 OE2 GLU A 14 7.994 -3.390 16.287 1.00 42.40 O ATOM 0 H GLU A 14 8.323 0.074 12.635 1.00 31.35 H new ATOM 0 HA GLU A 14 6.818 -2.189 11.864 1.00 21.10 H new ATOM 0 HB2 GLU A 14 6.609 -0.437 14.358 1.00 73.02 H new ATOM 0 HB3 GLU A 14 5.989 -2.069 14.201 1.00 73.02 H new ATOM 0 HG2 GLU A 14 8.353 -2.886 13.830 1.00 45.02 H new ATOM 0 HG3 GLU A 14 8.930 -1.255 14.107 1.00 45.02 H new ATOM 224 N THR A 15 5.143 0.660 12.069 1.00 13.43 N ATOM 225 CA THR A 15 3.881 1.353 11.764 1.00 73.44 C ATOM 226 C THR A 15 3.630 1.399 10.238 1.00 12.02 C ATOM 227 O THR A 15 2.498 1.234 9.780 1.00 61.11 O ATOM 228 CB THR A 15 3.906 2.803 12.355 1.00 21.31 C ATOM 229 OG1 THR A 15 4.306 2.749 13.731 1.00 13.02 O ATOM 230 CG2 THR A 15 2.533 3.500 12.258 1.00 52.11 C ATOM 0 H THR A 15 5.883 1.285 12.388 1.00 13.43 H new ATOM 0 HA THR A 15 3.065 0.797 12.225 1.00 73.44 H new ATOM 0 HB THR A 15 4.617 3.383 11.766 1.00 21.31 H new ATOM 0 HG1 THR A 15 4.324 3.656 14.102 1.00 13.02 H new ATOM 0 HG21 THR A 15 2.603 4.502 12.681 1.00 52.11 H new ATOM 0 HG22 THR A 15 2.232 3.568 11.212 1.00 52.11 H new ATOM 0 HG23 THR A 15 1.792 2.923 12.812 1.00 52.11 H new ATOM 238 N VAL A 16 4.715 1.589 9.479 1.00 32.42 N ATOM 239 CA VAL A 16 4.703 1.619 8.009 1.00 23.31 C ATOM 240 C VAL A 16 4.292 0.237 7.467 1.00 20.52 C ATOM 241 O VAL A 16 3.259 0.126 6.797 1.00 34.31 O ATOM 242 CB VAL A 16 6.116 2.105 7.467 1.00 21.11 C ATOM 243 CG1 VAL A 16 6.352 1.751 5.983 1.00 21.01 C ATOM 244 CG2 VAL A 16 6.281 3.636 7.684 1.00 63.21 C ATOM 0 H VAL A 16 5.644 1.729 9.875 1.00 32.42 H new ATOM 0 HA VAL A 16 3.965 2.336 7.649 1.00 23.31 H new ATOM 0 HB VAL A 16 6.870 1.567 8.042 1.00 21.11 H new ATOM 0 HG11 VAL A 16 7.334 2.110 5.675 1.00 21.01 H new ATOM 0 HG12 VAL A 16 6.305 0.670 5.855 1.00 21.01 H new ATOM 0 HG13 VAL A 16 5.584 2.223 5.370 1.00 21.01 H new ATOM 0 HG21 VAL A 16 7.253 3.954 7.308 1.00 63.21 H new ATOM 0 HG22 VAL A 16 5.494 4.166 7.148 1.00 63.21 H new ATOM 0 HG23 VAL A 16 6.212 3.862 8.748 1.00 63.21 H new ATOM 254 N ARG A 17 5.041 -0.811 7.871 1.00 23.22 N ATOM 255 CA ARG A 17 4.800 -2.197 7.433 1.00 42.50 C ATOM 256 C ARG A 17 3.321 -2.587 7.620 1.00 70.33 C ATOM 257 O ARG A 17 2.650 -2.917 6.644 1.00 63.21 O ATOM 258 CB ARG A 17 5.686 -3.188 8.214 1.00 22.21 C ATOM 259 CG ARG A 17 5.617 -4.634 7.662 1.00 75.55 C ATOM 260 CD ARG A 17 6.016 -5.679 8.701 1.00 31.14 C ATOM 261 NE ARG A 17 7.361 -5.457 9.264 1.00 42.41 N ATOM 262 CZ ARG A 17 8.517 -5.863 8.721 1.00 63.04 C ATOM 263 NH1 ARG A 17 8.540 -6.544 7.581 1.00 53.40 N ATOM 264 NH2 ARG A 17 9.659 -5.578 9.331 1.00 64.34 N ATOM 0 H ARG A 17 5.830 -0.717 8.511 1.00 23.22 H new ATOM 0 HA ARG A 17 5.054 -2.248 6.374 1.00 42.50 H new ATOM 0 HB2 ARG A 17 6.720 -2.843 8.183 1.00 22.21 H new ATOM 0 HB3 ARG A 17 5.382 -3.191 9.261 1.00 22.21 H new ATOM 0 HG2 ARG A 17 4.604 -4.839 7.317 1.00 75.55 H new ATOM 0 HG3 ARG A 17 6.273 -4.720 6.796 1.00 75.55 H new ATOM 0 HD2 ARG A 17 5.286 -5.674 9.510 1.00 31.14 H new ATOM 0 HD3 ARG A 17 5.979 -6.668 8.244 1.00 31.14 H new ATOM 0 HE ARG A 17 7.416 -4.948 10.146 1.00 42.41 H new ATOM 0 HH11 ARG A 17 7.667 -6.767 7.102 1.00 53.40 H new ATOM 0 HH12 ARG A 17 9.430 -6.844 7.184 1.00 53.40 H new ATOM 0 HH21 ARG A 17 9.653 -5.054 10.206 1.00 64.34 H new ATOM 0 HH22 ARG A 17 10.544 -5.883 8.925 1.00 64.34 H new ATOM 278 N LYS A 18 2.823 -2.467 8.875 1.00 11.32 N ATOM 279 CA LYS A 18 1.462 -2.870 9.243 1.00 51.12 C ATOM 280 C LYS A 18 0.380 -2.039 8.515 1.00 61.31 C ATOM 281 O LYS A 18 -0.676 -2.577 8.185 1.00 3.25 O ATOM 282 CB LYS A 18 1.260 -2.796 10.777 1.00 33.03 C ATOM 283 CG LYS A 18 -0.114 -3.335 11.230 1.00 2.21 C ATOM 284 CD LYS A 18 -0.317 -3.346 12.759 1.00 40.54 C ATOM 285 CE LYS A 18 -1.736 -3.802 13.140 1.00 5.32 C ATOM 286 NZ LYS A 18 -1.954 -3.845 14.611 1.00 4.33 N ATOM 0 H LYS A 18 3.361 -2.087 9.654 1.00 11.32 H new ATOM 0 HA LYS A 18 1.344 -3.904 8.920 1.00 51.12 H new ATOM 0 HB2 LYS A 18 2.048 -3.365 11.270 1.00 33.03 H new ATOM 0 HB3 LYS A 18 1.364 -1.761 11.102 1.00 33.03 H new ATOM 0 HG2 LYS A 18 -0.897 -2.729 10.775 1.00 2.21 H new ATOM 0 HG3 LYS A 18 -0.236 -4.350 10.851 1.00 2.21 H new ATOM 0 HD2 LYS A 18 0.415 -4.010 13.219 1.00 40.54 H new ATOM 0 HD3 LYS A 18 -0.136 -2.348 13.158 1.00 40.54 H new ATOM 0 HE2 LYS A 18 -2.463 -3.126 12.690 1.00 5.32 H new ATOM 0 HE3 LYS A 18 -1.919 -4.792 12.721 1.00 5.32 H new ATOM 0 HZ1 LYS A 18 -2.926 -4.158 14.809 1.00 4.33 H new ATOM 0 HZ2 LYS A 18 -1.281 -4.510 15.042 1.00 4.33 H new ATOM 0 HZ3 LYS A 18 -1.808 -2.896 15.011 1.00 4.33 H new ATOM 300 N GLN A 19 0.645 -0.745 8.243 1.00 52.14 N ATOM 301 CA GLN A 19 -0.331 0.122 7.525 1.00 71.41 C ATOM 302 C GLN A 19 -0.483 -0.325 6.053 1.00 74.21 C ATOM 303 O GLN A 19 -1.566 -0.204 5.463 1.00 0.23 O ATOM 304 CB GLN A 19 0.073 1.617 7.609 1.00 54.33 C ATOM 305 CG GLN A 19 -0.905 2.612 6.919 1.00 75.14 C ATOM 306 CD GLN A 19 -2.355 2.516 7.423 1.00 73.35 C ATOM 307 OE1 GLN A 19 -2.720 3.122 8.425 1.00 21.14 O ATOM 308 NE2 GLN A 19 -3.199 1.788 6.710 1.00 20.31 N ATOM 0 H GLN A 19 1.513 -0.276 8.503 1.00 52.14 H new ATOM 0 HA GLN A 19 -1.297 0.012 8.017 1.00 71.41 H new ATOM 0 HB2 GLN A 19 0.164 1.893 8.660 1.00 54.33 H new ATOM 0 HB3 GLN A 19 1.060 1.735 7.162 1.00 54.33 H new ATOM 0 HG2 GLN A 19 -0.543 3.628 7.076 1.00 75.14 H new ATOM 0 HG3 GLN A 19 -0.892 2.431 5.844 1.00 75.14 H new ATOM 0 HE21 GLN A 19 -2.871 1.293 5.880 1.00 20.31 H new ATOM 0 HE22 GLN A 19 -4.178 1.722 6.990 1.00 20.31 H new ATOM 317 N ALA A 20 0.592 -0.900 5.494 1.00 1.03 N ATOM 318 CA ALA A 20 0.583 -1.407 4.134 1.00 54.35 C ATOM 319 C ALA A 20 -0.171 -2.729 4.158 1.00 74.22 C ATOM 320 O ALA A 20 -1.003 -2.972 3.303 1.00 52.14 O ATOM 321 CB ALA A 20 2.004 -1.592 3.621 1.00 34.34 C ATOM 0 H ALA A 20 1.482 -1.021 5.977 1.00 1.03 H new ATOM 0 HA ALA A 20 0.095 -0.704 3.459 1.00 54.35 H new ATOM 0 HB1 ALA A 20 1.976 -1.973 2.600 1.00 34.34 H new ATOM 0 HB2 ALA A 20 2.524 -0.634 3.637 1.00 34.34 H new ATOM 0 HB3 ALA A 20 2.531 -2.302 4.258 1.00 34.34 H new ATOM 327 N MET A 21 0.088 -3.526 5.233 1.00 20.35 N ATOM 328 CA MET A 21 -0.550 -4.819 5.458 1.00 5.04 C ATOM 329 C MET A 21 -2.081 -4.681 5.536 1.00 45.53 C ATOM 330 O MET A 21 -2.803 -5.512 4.985 1.00 22.54 O ATOM 331 CB MET A 21 0.008 -5.460 6.757 1.00 73.33 C ATOM 332 CG MET A 21 1.500 -5.800 6.705 1.00 0.24 C ATOM 333 SD MET A 21 2.230 -6.202 8.307 1.00 14.30 S ATOM 334 CE MET A 21 1.067 -7.394 8.941 1.00 53.50 C ATOM 0 H MET A 21 0.753 -3.271 5.963 1.00 20.35 H new ATOM 0 HA MET A 21 -0.322 -5.468 4.612 1.00 5.04 H new ATOM 0 HB2 MET A 21 -0.168 -4.778 7.589 1.00 73.33 H new ATOM 0 HB3 MET A 21 -0.552 -6.371 6.968 1.00 73.33 H new ATOM 0 HG2 MET A 21 1.644 -6.645 6.031 1.00 0.24 H new ATOM 0 HG3 MET A 21 2.038 -4.955 6.276 1.00 0.24 H new ATOM 0 HE1 MET A 21 1.484 -7.873 9.827 1.00 53.50 H new ATOM 0 HE2 MET A 21 0.137 -6.890 9.204 1.00 53.50 H new ATOM 0 HE3 MET A 21 0.868 -8.149 8.180 1.00 53.50 H new ATOM 344 N GLU A 22 -2.544 -3.601 6.210 1.00 73.31 N ATOM 345 CA GLU A 22 -3.971 -3.254 6.295 1.00 44.34 C ATOM 346 C GLU A 22 -4.527 -3.027 4.888 1.00 75.13 C ATOM 347 O GLU A 22 -5.408 -3.765 4.449 1.00 32.34 O ATOM 348 CB GLU A 22 -4.203 -1.983 7.171 1.00 1.02 C ATOM 349 CG GLU A 22 -3.806 -2.123 8.655 1.00 4.05 C ATOM 350 CD GLU A 22 -4.617 -3.184 9.428 1.00 43.21 C ATOM 351 OE1 GLU A 22 -5.813 -2.957 9.700 1.00 21.41 O ATOM 352 OE2 GLU A 22 -4.074 -4.245 9.769 1.00 12.22 O ATOM 0 H GLU A 22 -1.935 -2.951 6.707 1.00 73.31 H new ATOM 0 HA GLU A 22 -4.494 -4.084 6.770 1.00 44.34 H new ATOM 0 HB2 GLU A 22 -3.640 -1.156 6.738 1.00 1.02 H new ATOM 0 HB3 GLU A 22 -5.258 -1.713 7.118 1.00 1.02 H new ATOM 0 HG2 GLU A 22 -2.748 -2.376 8.714 1.00 4.05 H new ATOM 0 HG3 GLU A 22 -3.931 -1.158 9.146 1.00 4.05 H new ATOM 359 N ASP A 23 -3.943 -2.031 4.186 1.00 74.20 N ATOM 360 CA ASP A 23 -4.315 -1.632 2.810 1.00 53.10 C ATOM 361 C ASP A 23 -4.476 -2.854 1.886 1.00 32.41 C ATOM 362 O ASP A 23 -5.474 -2.973 1.171 1.00 43.45 O ATOM 363 CB ASP A 23 -3.222 -0.670 2.260 1.00 4.52 C ATOM 364 CG ASP A 23 -3.320 -0.424 0.745 1.00 62.52 C ATOM 365 OD1 ASP A 23 -4.018 0.523 0.330 1.00 20.35 O ATOM 366 OD2 ASP A 23 -2.704 -1.195 -0.027 1.00 4.12 O ATOM 0 H ASP A 23 -3.183 -1.469 4.569 1.00 74.20 H new ATOM 0 HA ASP A 23 -5.280 -1.126 2.837 1.00 53.10 H new ATOM 0 HB2 ASP A 23 -3.296 0.285 2.780 1.00 4.52 H new ATOM 0 HB3 ASP A 23 -2.239 -1.082 2.489 1.00 4.52 H new ATOM 371 N ILE A 24 -3.491 -3.761 1.968 1.00 23.22 N ATOM 372 CA ILE A 24 -3.423 -4.976 1.153 1.00 71.12 C ATOM 373 C ILE A 24 -4.661 -5.847 1.400 1.00 61.20 C ATOM 374 O ILE A 24 -5.385 -6.163 0.465 1.00 44.54 O ATOM 375 CB ILE A 24 -2.107 -5.779 1.484 1.00 73.42 C ATOM 376 CG1 ILE A 24 -0.854 -4.970 1.028 1.00 63.32 C ATOM 377 CG2 ILE A 24 -2.114 -7.199 0.865 1.00 41.33 C ATOM 378 CD1 ILE A 24 0.473 -5.486 1.567 1.00 1.01 C ATOM 0 H ILE A 24 -2.708 -3.666 2.614 1.00 23.22 H new ATOM 0 HA ILE A 24 -3.401 -4.695 0.100 1.00 71.12 H new ATOM 0 HB ILE A 24 -2.064 -5.912 2.565 1.00 73.42 H new ATOM 0 HG12 ILE A 24 -0.813 -4.974 -0.061 1.00 63.32 H new ATOM 0 HG13 ILE A 24 -0.977 -3.932 1.338 1.00 63.32 H new ATOM 0 HG21 ILE A 24 -1.187 -7.712 1.121 1.00 41.33 H new ATOM 0 HG22 ILE A 24 -2.961 -7.763 1.257 1.00 41.33 H new ATOM 0 HG23 ILE A 24 -2.199 -7.123 -0.219 1.00 41.33 H new ATOM 0 HD11 ILE A 24 1.285 -4.860 1.196 1.00 1.01 H new ATOM 0 HD12 ILE A 24 0.460 -5.455 2.656 1.00 1.01 H new ATOM 0 HD13 ILE A 24 0.626 -6.513 1.235 1.00 1.01 H new ATOM 390 N GLU A 25 -4.920 -6.156 2.683 1.00 72.23 N ATOM 391 CA GLU A 25 -5.972 -7.107 3.086 1.00 12.41 C ATOM 392 C GLU A 25 -7.385 -6.599 2.781 1.00 62.14 C ATOM 393 O GLU A 25 -8.271 -7.377 2.398 1.00 43.43 O ATOM 394 CB GLU A 25 -5.809 -7.484 4.578 1.00 2.31 C ATOM 395 CG GLU A 25 -4.476 -8.187 4.898 1.00 21.02 C ATOM 396 CD GLU A 25 -4.326 -8.514 6.391 1.00 15.14 C ATOM 397 OE1 GLU A 25 -3.972 -7.614 7.175 1.00 12.03 O ATOM 398 OE2 GLU A 25 -4.595 -9.668 6.787 1.00 30.23 O ATOM 0 H GLU A 25 -4.407 -5.755 3.468 1.00 72.23 H new ATOM 0 HA GLU A 25 -5.845 -8.006 2.483 1.00 12.41 H new ATOM 0 HB2 GLU A 25 -5.887 -6.580 5.182 1.00 2.31 H new ATOM 0 HB3 GLU A 25 -6.632 -8.135 4.871 1.00 2.31 H new ATOM 0 HG2 GLU A 25 -4.407 -9.108 4.319 1.00 21.02 H new ATOM 0 HG3 GLU A 25 -3.649 -7.550 4.584 1.00 21.02 H new ATOM 405 N ILE A 26 -7.555 -5.292 2.899 1.00 34.50 N ATOM 406 CA ILE A 26 -8.821 -4.604 2.634 1.00 30.21 C ATOM 407 C ILE A 26 -9.047 -4.493 1.096 1.00 40.34 C ATOM 408 O ILE A 26 -10.185 -4.470 0.620 1.00 70.24 O ATOM 409 CB ILE A 26 -8.775 -3.211 3.363 1.00 41.34 C ATOM 410 CG1 ILE A 26 -8.501 -3.439 4.893 1.00 41.30 C ATOM 411 CG2 ILE A 26 -10.067 -2.397 3.167 1.00 32.11 C ATOM 412 CD1 ILE A 26 -7.987 -2.225 5.629 1.00 51.43 C ATOM 0 H ILE A 26 -6.806 -4.662 3.187 1.00 34.50 H new ATOM 0 HA ILE A 26 -9.674 -5.159 3.024 1.00 30.21 H new ATOM 0 HB ILE A 26 -7.969 -2.628 2.918 1.00 41.34 H new ATOM 0 HG12 ILE A 26 -9.424 -3.771 5.368 1.00 41.30 H new ATOM 0 HG13 ILE A 26 -7.777 -4.247 5.002 1.00 41.30 H new ATOM 0 HG21 ILE A 26 -9.980 -1.445 3.691 1.00 32.11 H new ATOM 0 HG22 ILE A 26 -10.223 -2.213 2.104 1.00 32.11 H new ATOM 0 HG23 ILE A 26 -10.913 -2.956 3.567 1.00 32.11 H new ATOM 0 HD11 ILE A 26 -7.827 -2.476 6.678 1.00 51.43 H new ATOM 0 HD12 ILE A 26 -7.045 -1.902 5.185 1.00 51.43 H new ATOM 0 HD13 ILE A 26 -8.717 -1.419 5.557 1.00 51.43 H new ATOM 424 N ALA A 27 -7.934 -4.528 0.331 1.00 23.24 N ATOM 425 CA ALA A 27 -7.970 -4.552 -1.148 1.00 62.33 C ATOM 426 C ALA A 27 -8.285 -5.978 -1.646 1.00 41.32 C ATOM 427 O ALA A 27 -8.993 -6.153 -2.645 1.00 61.12 O ATOM 428 CB ALA A 27 -6.636 -4.046 -1.727 1.00 31.33 C ATOM 0 H ALA A 27 -6.991 -4.540 0.718 1.00 23.24 H new ATOM 0 HA ALA A 27 -8.760 -3.885 -1.494 1.00 62.33 H new ATOM 0 HB1 ALA A 27 -6.679 -4.070 -2.816 1.00 31.33 H new ATOM 0 HB2 ALA A 27 -6.459 -3.023 -1.394 1.00 31.33 H new ATOM 0 HB3 ALA A 27 -5.824 -4.686 -1.382 1.00 31.33 H new ATOM 434 N GLN A 28 -7.756 -6.994 -0.917 1.00 52.25 N ATOM 435 CA GLN A 28 -7.997 -8.428 -1.205 1.00 42.52 C ATOM 436 C GLN A 28 -9.485 -8.784 -1.037 1.00 51.55 C ATOM 437 O GLN A 28 -10.033 -9.595 -1.790 1.00 15.30 O ATOM 438 CB GLN A 28 -7.140 -9.333 -0.269 1.00 33.54 C ATOM 439 CG GLN A 28 -5.619 -9.140 -0.399 1.00 4.13 C ATOM 440 CD GLN A 28 -4.781 -9.862 0.675 1.00 12.04 C ATOM 441 OE1 GLN A 28 -5.341 -10.097 1.860 1.00 43.21 O flip ATOM 442 NE2 GLN A 28 -3.625 -10.208 0.443 1.00 62.44 N flip ATOM 0 H GLN A 28 -7.149 -6.839 -0.112 1.00 52.25 H new ATOM 0 HA GLN A 28 -7.706 -8.606 -2.240 1.00 42.52 H new ATOM 0 HB2 GLN A 28 -7.429 -9.140 0.764 1.00 33.54 H new ATOM 0 HB3 GLN A 28 -7.379 -10.376 -0.477 1.00 33.54 H new ATOM 0 HG2 GLN A 28 -5.305 -9.492 -1.382 1.00 4.13 H new ATOM 0 HG3 GLN A 28 -5.397 -8.074 -0.356 1.00 4.13 H new ATOM 0 HE21 GLN A 28 -3.210 -10.021 -0.470 1.00 62.44 H new ATOM 0 HE22 GLN A 28 -3.080 -10.682 1.163 1.00 62.44 H new ATOM 451 N SER A 29 -10.121 -8.145 -0.040 1.00 63.44 N ATOM 452 CA SER A 29 -11.527 -8.380 0.305 1.00 13.32 C ATOM 453 C SER A 29 -12.495 -7.545 -0.570 1.00 33.14 C ATOM 454 O SER A 29 -13.714 -7.581 -0.340 1.00 71.43 O ATOM 455 CB SER A 29 -11.739 -8.084 1.808 1.00 44.12 C ATOM 456 OG SER A 29 -10.902 -8.907 2.611 1.00 53.44 O ATOM 0 H SER A 29 -9.668 -7.447 0.551 1.00 63.44 H new ATOM 0 HA SER A 29 -11.758 -9.426 0.103 1.00 13.32 H new ATOM 0 HB2 SER A 29 -11.525 -7.034 2.010 1.00 44.12 H new ATOM 0 HB3 SER A 29 -12.783 -8.253 2.072 1.00 44.12 H new ATOM 0 HG SER A 29 -9.998 -8.530 2.634 1.00 53.44 H new ATOM 462 N LYS A 30 -11.941 -6.796 -1.565 1.00 73.11 N ATOM 463 CA LYS A 30 -12.721 -6.036 -2.558 1.00 44.31 C ATOM 464 C LYS A 30 -13.581 -4.966 -1.856 1.00 31.43 C ATOM 465 O LYS A 30 -14.794 -4.850 -2.070 1.00 12.20 O ATOM 466 CB LYS A 30 -13.539 -7.028 -3.459 1.00 44.23 C ATOM 467 CG LYS A 30 -14.196 -6.417 -4.718 1.00 31.22 C ATOM 468 CD LYS A 30 -14.954 -7.458 -5.579 1.00 24.30 C ATOM 469 CE LYS A 30 -16.132 -8.125 -4.845 1.00 11.51 C ATOM 470 NZ LYS A 30 -17.186 -7.146 -4.460 1.00 51.45 N ATOM 0 H LYS A 30 -10.933 -6.709 -1.693 1.00 73.11 H new ATOM 0 HA LYS A 30 -12.058 -5.489 -3.228 1.00 44.31 H new ATOM 0 HB2 LYS A 30 -12.875 -7.833 -3.774 1.00 44.23 H new ATOM 0 HB3 LYS A 30 -14.321 -7.481 -2.849 1.00 44.23 H new ATOM 0 HG2 LYS A 30 -14.890 -5.633 -4.414 1.00 31.22 H new ATOM 0 HG3 LYS A 30 -13.427 -5.943 -5.327 1.00 31.22 H new ATOM 0 HD2 LYS A 30 -15.327 -6.970 -6.479 1.00 24.30 H new ATOM 0 HD3 LYS A 30 -14.254 -8.229 -5.901 1.00 24.30 H new ATOM 0 HE2 LYS A 30 -16.568 -8.892 -5.485 1.00 11.51 H new ATOM 0 HE3 LYS A 30 -15.762 -8.628 -3.951 1.00 11.51 H new ATOM 0 HZ1 LYS A 30 -17.188 -7.026 -3.427 1.00 51.45 H new ATOM 0 HZ2 LYS A 30 -16.992 -6.231 -4.914 1.00 51.45 H new ATOM 0 HZ3 LYS A 30 -18.115 -7.496 -4.770 1.00 51.45 H new ATOM 484 N ASP A 31 -12.910 -4.205 -0.983 1.00 25.30 N ATOM 485 CA ASP A 31 -13.505 -3.071 -0.273 1.00 0.31 C ATOM 486 C ASP A 31 -13.258 -1.795 -1.049 1.00 53.21 C ATOM 487 O ASP A 31 -12.154 -1.562 -1.557 1.00 3.24 O ATOM 488 CB ASP A 31 -12.939 -2.928 1.155 1.00 1.02 C ATOM 489 CG ASP A 31 -13.453 -4.012 2.113 1.00 74.45 C ATOM 490 OD1 ASP A 31 -14.619 -3.915 2.556 1.00 3.21 O ATOM 491 OD2 ASP A 31 -12.707 -4.957 2.433 1.00 34.21 O ATOM 0 H ASP A 31 -11.930 -4.362 -0.749 1.00 25.30 H new ATOM 0 HA ASP A 31 -14.576 -3.255 -0.191 1.00 0.31 H new ATOM 0 HB2 ASP A 31 -11.851 -2.972 1.115 1.00 1.02 H new ATOM 0 HB3 ASP A 31 -13.204 -1.947 1.549 1.00 1.02 H new ATOM 496 N TYR A 32 -14.314 -1.003 -1.162 1.00 72.14 N ATOM 497 CA TYR A 32 -14.292 0.278 -1.866 1.00 31.03 C ATOM 498 C TYR A 32 -14.231 1.393 -0.820 1.00 74.12 C ATOM 499 O TYR A 32 -13.166 1.927 -0.583 1.00 53.12 O ATOM 500 CB TYR A 32 -15.543 0.390 -2.792 1.00 2.32 C ATOM 501 CG TYR A 32 -15.910 -0.934 -3.495 1.00 45.31 C ATOM 502 CD1 TYR A 32 -14.925 -1.752 -4.059 1.00 51.54 C ATOM 503 CD2 TYR A 32 -17.231 -1.381 -3.547 1.00 25.44 C ATOM 504 CE1 TYR A 32 -15.243 -2.952 -4.650 1.00 34.34 C ATOM 505 CE2 TYR A 32 -17.555 -2.581 -4.142 1.00 44.02 C ATOM 506 CZ TYR A 32 -16.563 -3.360 -4.691 1.00 41.31 C ATOM 507 OH TYR A 32 -16.891 -4.547 -5.295 1.00 62.30 O ATOM 0 H TYR A 32 -15.224 -1.232 -0.763 1.00 72.14 H new ATOM 0 HA TYR A 32 -13.417 0.363 -2.510 1.00 31.03 H new ATOM 0 HB2 TYR A 32 -16.394 0.726 -2.200 1.00 2.32 H new ATOM 0 HB3 TYR A 32 -15.359 1.154 -3.547 1.00 2.32 H new ATOM 0 HD1 TYR A 32 -13.893 -1.434 -4.030 1.00 51.54 H new ATOM 0 HD2 TYR A 32 -18.013 -0.776 -3.113 1.00 25.44 H new ATOM 0 HE1 TYR A 32 -14.468 -3.570 -5.078 1.00 34.34 H new ATOM 0 HE2 TYR A 32 -18.584 -2.909 -4.177 1.00 44.02 H new ATOM 0 HH TYR A 32 -17.859 -4.687 -5.237 1.00 62.30 H new ATOM 517 N GLU A 33 -15.366 1.652 -0.138 1.00 35.01 N ATOM 518 CA GLU A 33 -15.508 2.738 0.867 1.00 14.24 C ATOM 519 C GLU A 33 -14.671 2.502 2.154 1.00 10.42 C ATOM 520 O GLU A 33 -14.269 3.474 2.810 1.00 71.42 O ATOM 521 CB GLU A 33 -17.006 2.938 1.201 1.00 2.52 C ATOM 522 CG GLU A 33 -17.735 1.662 1.666 1.00 74.43 C ATOM 523 CD GLU A 33 -19.251 1.863 1.825 1.00 72.41 C ATOM 524 OE1 GLU A 33 -19.676 2.546 2.777 1.00 62.44 O ATOM 525 OE2 GLU A 33 -20.024 1.356 0.984 1.00 72.12 O ATOM 0 H GLU A 33 -16.221 1.111 -0.267 1.00 35.01 H new ATOM 0 HA GLU A 33 -15.105 3.648 0.422 1.00 14.24 H new ATOM 0 HB2 GLU A 33 -17.093 3.695 1.980 1.00 2.52 H new ATOM 0 HB3 GLU A 33 -17.513 3.329 0.319 1.00 2.52 H new ATOM 0 HG2 GLU A 33 -17.553 0.863 0.947 1.00 74.43 H new ATOM 0 HG3 GLU A 33 -17.315 1.336 2.618 1.00 74.43 H new ATOM 532 N SER A 34 -14.401 1.229 2.505 1.00 71.11 N ATOM 533 CA SER A 34 -13.523 0.885 3.651 1.00 43.22 C ATOM 534 C SER A 34 -12.049 1.193 3.314 1.00 34.44 C ATOM 535 O SER A 34 -11.348 1.847 4.084 1.00 2.12 O ATOM 536 CB SER A 34 -13.670 -0.604 4.020 1.00 30.34 C ATOM 537 OG SER A 34 -15.005 -0.924 4.348 1.00 52.55 O ATOM 0 H SER A 34 -14.777 0.418 2.013 1.00 71.11 H new ATOM 0 HA SER A 34 -13.827 1.492 4.504 1.00 43.22 H new ATOM 0 HB2 SER A 34 -13.341 -1.222 3.184 1.00 30.34 H new ATOM 0 HB3 SER A 34 -13.021 -0.837 4.864 1.00 30.34 H new ATOM 0 HG SER A 34 -15.067 -1.875 4.576 1.00 52.55 H new ATOM 543 N TRP A 35 -11.623 0.724 2.134 1.00 11.24 N ATOM 544 CA TRP A 35 -10.245 0.877 1.618 1.00 74.12 C ATOM 545 C TRP A 35 -9.929 2.364 1.337 1.00 40.13 C ATOM 546 O TRP A 35 -8.827 2.842 1.569 1.00 32.43 O ATOM 547 CB TRP A 35 -10.129 0.010 0.336 1.00 15.12 C ATOM 548 CG TRP A 35 -8.733 -0.197 -0.182 1.00 75.43 C ATOM 549 CD1 TRP A 35 -7.671 -0.689 0.519 1.00 3.22 C ATOM 550 CD2 TRP A 35 -8.257 0.041 -1.515 1.00 20.50 C ATOM 551 NE1 TRP A 35 -6.573 -0.764 -0.288 1.00 62.31 N ATOM 552 CE2 TRP A 35 -6.900 -0.314 -1.537 1.00 42.14 C ATOM 553 CE3 TRP A 35 -8.844 0.530 -2.686 1.00 31.42 C ATOM 554 CZ2 TRP A 35 -6.122 -0.217 -2.685 1.00 74.53 C ATOM 555 CZ3 TRP A 35 -8.069 0.640 -3.828 1.00 2.04 C ATOM 556 CH2 TRP A 35 -6.717 0.270 -3.818 1.00 61.34 C ATOM 0 H TRP A 35 -12.234 0.217 1.494 1.00 11.24 H new ATOM 0 HA TRP A 35 -9.515 0.542 2.355 1.00 74.12 H new ATOM 0 HB2 TRP A 35 -10.571 -0.966 0.537 1.00 15.12 H new ATOM 0 HB3 TRP A 35 -10.724 0.474 -0.450 1.00 15.12 H new ATOM 0 HD1 TRP A 35 -7.696 -0.977 1.560 1.00 3.22 H new ATOM 0 HE1 TRP A 35 -5.654 -1.102 -0.004 1.00 62.31 H new ATOM 0 HE3 TRP A 35 -9.885 0.817 -2.699 1.00 31.42 H new ATOM 0 HZ2 TRP A 35 -5.084 -0.515 -2.683 1.00 74.53 H new ATOM 0 HZ3 TRP A 35 -8.512 1.016 -4.738 1.00 2.04 H new ATOM 0 HH2 TRP A 35 -6.133 0.371 -4.721 1.00 61.34 H new ATOM 567 N LYS A 36 -10.967 3.044 0.871 1.00 31.30 N ATOM 568 CA LYS A 36 -11.038 4.497 0.608 1.00 40.35 C ATOM 569 C LYS A 36 -10.687 5.322 1.852 1.00 41.43 C ATOM 570 O LYS A 36 -9.958 6.311 1.759 1.00 11.32 O ATOM 571 CB LYS A 36 -12.505 4.731 0.168 1.00 30.32 C ATOM 572 CG LYS A 36 -13.029 6.155 -0.115 1.00 51.41 C ATOM 573 CD LYS A 36 -13.895 6.712 1.063 1.00 52.20 C ATOM 574 CE LYS A 36 -14.853 7.833 0.647 1.00 12.10 C ATOM 575 NZ LYS A 36 -15.518 8.460 1.822 1.00 15.53 N ATOM 0 H LYS A 36 -11.846 2.576 0.648 1.00 31.30 H new ATOM 0 HA LYS A 36 -10.319 4.812 -0.148 1.00 40.35 H new ATOM 0 HB2 LYS A 36 -12.665 4.145 -0.737 1.00 30.32 H new ATOM 0 HB3 LYS A 36 -13.143 4.303 0.941 1.00 30.32 H new ATOM 0 HG2 LYS A 36 -12.185 6.822 -0.290 1.00 51.41 H new ATOM 0 HG3 LYS A 36 -13.624 6.146 -1.028 1.00 51.41 H new ATOM 0 HD2 LYS A 36 -14.472 5.895 1.496 1.00 52.20 H new ATOM 0 HD3 LYS A 36 -13.233 7.084 1.845 1.00 52.20 H new ATOM 0 HE2 LYS A 36 -14.303 8.593 0.093 1.00 12.10 H new ATOM 0 HE3 LYS A 36 -15.610 7.432 -0.027 1.00 12.10 H new ATOM 0 HZ1 LYS A 36 -16.208 9.166 1.495 1.00 15.53 H new ATOM 0 HZ2 LYS A 36 -16.008 7.728 2.375 1.00 15.53 H new ATOM 0 HZ3 LYS A 36 -14.804 8.924 2.418 1.00 15.53 H new ATOM 589 N SER A 37 -11.216 4.877 3.015 1.00 12.32 N ATOM 590 CA SER A 37 -10.991 5.534 4.316 1.00 2.24 C ATOM 591 C SER A 37 -9.491 5.581 4.670 1.00 21.54 C ATOM 592 O SER A 37 -9.024 6.528 5.304 1.00 14.33 O ATOM 593 CB SER A 37 -11.760 4.780 5.416 1.00 43.13 C ATOM 594 OG SER A 37 -13.118 4.609 5.066 1.00 53.55 O ATOM 0 H SER A 37 -11.811 4.051 3.074 1.00 12.32 H new ATOM 0 HA SER A 37 -11.354 6.559 4.246 1.00 2.24 H new ATOM 0 HB2 SER A 37 -11.300 3.806 5.583 1.00 43.13 H new ATOM 0 HB3 SER A 37 -11.690 5.330 6.354 1.00 43.13 H new ATOM 0 HG SER A 37 -13.182 4.032 4.276 1.00 53.55 H new ATOM 600 N ARG A 38 -8.766 4.535 4.224 1.00 31.12 N ATOM 601 CA ARG A 38 -7.322 4.376 4.446 1.00 42.11 C ATOM 602 C ARG A 38 -6.518 5.405 3.620 1.00 51.11 C ATOM 603 O ARG A 38 -5.453 5.838 4.056 1.00 4.43 O ATOM 604 CB ARG A 38 -6.883 2.906 4.132 1.00 22.30 C ATOM 605 CG ARG A 38 -7.121 1.889 5.277 1.00 62.42 C ATOM 606 CD ARG A 38 -8.595 1.761 5.714 1.00 61.52 C ATOM 607 NE ARG A 38 -8.750 0.945 6.931 1.00 61.35 N ATOM 608 CZ ARG A 38 -9.896 0.374 7.347 1.00 35.30 C ATOM 609 NH1 ARG A 38 -11.019 0.499 6.647 1.00 13.45 N ATOM 610 NH2 ARG A 38 -9.906 -0.328 8.462 1.00 31.51 N ATOM 0 H ARG A 38 -9.177 3.768 3.692 1.00 31.12 H new ATOM 0 HA ARG A 38 -7.106 4.571 5.496 1.00 42.11 H new ATOM 0 HB2 ARG A 38 -7.419 2.565 3.247 1.00 22.30 H new ATOM 0 HB3 ARG A 38 -5.822 2.906 3.882 1.00 22.30 H new ATOM 0 HG2 ARG A 38 -6.762 0.910 4.959 1.00 62.42 H new ATOM 0 HG3 ARG A 38 -6.523 2.183 6.139 1.00 62.42 H new ATOM 0 HD2 ARG A 38 -9.006 2.755 5.891 1.00 61.52 H new ATOM 0 HD3 ARG A 38 -9.174 1.316 4.905 1.00 61.52 H new ATOM 0 HE ARG A 38 -7.920 0.801 7.506 1.00 61.35 H new ATOM 0 HH11 ARG A 38 -11.022 1.035 5.779 1.00 13.45 H new ATOM 0 HH12 ARG A 38 -11.878 0.059 6.978 1.00 13.45 H new ATOM 0 HH21 ARG A 38 -9.049 -0.436 9.004 1.00 31.51 H new ATOM 0 HH22 ARG A 38 -10.771 -0.763 8.783 1.00 31.51 H new ATOM 624 N PHE A 39 -7.048 5.802 2.444 1.00 64.02 N ATOM 625 CA PHE A 39 -6.456 6.864 1.585 1.00 53.03 C ATOM 626 C PHE A 39 -6.702 8.257 2.179 1.00 52.04 C ATOM 627 O PHE A 39 -7.414 8.397 3.190 1.00 31.33 O ATOM 628 CB PHE A 39 -7.047 6.796 0.144 1.00 52.52 C ATOM 629 CG PHE A 39 -6.524 5.630 -0.685 1.00 11.13 C ATOM 630 CD1 PHE A 39 -6.817 4.326 -0.319 1.00 2.44 C ATOM 631 CD2 PHE A 39 -5.706 5.835 -1.803 1.00 11.30 C ATOM 632 CE1 PHE A 39 -6.320 3.260 -1.034 1.00 50.52 C ATOM 633 CE2 PHE A 39 -5.204 4.769 -2.518 1.00 44.31 C ATOM 634 CZ PHE A 39 -5.508 3.480 -2.134 1.00 43.02 C ATOM 0 H PHE A 39 -7.901 5.398 2.057 1.00 64.02 H new ATOM 0 HA PHE A 39 -5.381 6.691 1.539 1.00 53.03 H new ATOM 0 HB2 PHE A 39 -8.133 6.723 0.210 1.00 52.52 H new ATOM 0 HB3 PHE A 39 -6.821 7.728 -0.375 1.00 52.52 H new ATOM 0 HD1 PHE A 39 -7.445 4.143 0.540 1.00 2.44 H new ATOM 0 HD2 PHE A 39 -5.465 6.842 -2.109 1.00 11.30 H new ATOM 0 HE1 PHE A 39 -6.564 2.251 -0.737 1.00 50.52 H new ATOM 0 HE2 PHE A 39 -4.574 4.943 -3.378 1.00 44.31 H new ATOM 0 HZ PHE A 39 -5.113 2.643 -2.691 1.00 43.02 H new ATOM 644 N THR A 40 -6.106 9.295 1.540 1.00 61.03 N ATOM 645 CA THR A 40 -6.321 10.694 1.947 1.00 40.32 C ATOM 646 C THR A 40 -7.779 11.064 1.666 1.00 40.35 C ATOM 647 O THR A 40 -8.399 10.512 0.759 1.00 35.43 O ATOM 648 CB THR A 40 -5.372 11.726 1.211 1.00 24.21 C ATOM 649 OG1 THR A 40 -5.956 12.168 -0.019 1.00 54.20 O ATOM 650 CG2 THR A 40 -3.992 11.142 0.889 1.00 74.31 C ATOM 0 H THR A 40 -5.477 9.184 0.745 1.00 61.03 H new ATOM 0 HA THR A 40 -6.083 10.759 3.009 1.00 40.32 H new ATOM 0 HB THR A 40 -5.249 12.557 1.905 1.00 24.21 H new ATOM 0 HG1 THR A 40 -5.284 12.650 -0.546 1.00 54.20 H new ATOM 0 HG21 THR A 40 -3.387 11.896 0.385 1.00 74.31 H new ATOM 0 HG22 THR A 40 -3.500 10.840 1.814 1.00 74.31 H new ATOM 0 HG23 THR A 40 -4.107 10.275 0.239 1.00 74.31 H new ATOM 658 N LYS A 41 -8.299 12.007 2.434 1.00 12.41 N ATOM 659 CA LYS A 41 -9.673 12.525 2.274 1.00 25.31 C ATOM 660 C LYS A 41 -9.888 13.211 0.903 1.00 63.25 C ATOM 661 O LYS A 41 -11.018 13.314 0.410 1.00 20.22 O ATOM 662 CB LYS A 41 -9.963 13.474 3.437 1.00 72.44 C ATOM 663 CG LYS A 41 -10.089 12.741 4.797 1.00 54.10 C ATOM 664 CD LYS A 41 -10.358 13.692 5.973 1.00 65.01 C ATOM 665 CE LYS A 41 -10.470 12.944 7.318 1.00 2.45 C ATOM 666 NZ LYS A 41 -10.793 13.850 8.448 1.00 60.23 N ATOM 0 H LYS A 41 -7.785 12.447 3.197 1.00 12.41 H new ATOM 0 HA LYS A 41 -10.376 11.692 2.293 1.00 25.31 H new ATOM 0 HB2 LYS A 41 -9.166 14.215 3.502 1.00 72.44 H new ATOM 0 HB3 LYS A 41 -10.887 14.016 3.235 1.00 72.44 H new ATOM 0 HG2 LYS A 41 -10.896 12.011 4.736 1.00 54.10 H new ATOM 0 HG3 LYS A 41 -9.171 12.185 4.990 1.00 54.10 H new ATOM 0 HD2 LYS A 41 -9.555 14.427 6.034 1.00 65.01 H new ATOM 0 HD3 LYS A 41 -11.280 14.243 5.788 1.00 65.01 H new ATOM 0 HE2 LYS A 41 -11.240 12.177 7.240 1.00 2.45 H new ATOM 0 HE3 LYS A 41 -9.530 12.432 7.524 1.00 2.45 H new ATOM 0 HZ1 LYS A 41 -10.857 13.299 9.328 1.00 60.23 H new ATOM 0 HZ2 LYS A 41 -10.046 14.567 8.542 1.00 60.23 H new ATOM 0 HZ3 LYS A 41 -11.703 14.320 8.267 1.00 60.23 H new ATOM 680 N ASP A 42 -8.783 13.656 0.306 1.00 65.14 N ATOM 681 CA ASP A 42 -8.740 14.165 -1.072 1.00 35.22 C ATOM 682 C ASP A 42 -8.881 13.008 -2.088 1.00 21.43 C ATOM 683 O ASP A 42 -9.606 13.120 -3.086 1.00 41.21 O ATOM 684 CB ASP A 42 -7.413 14.923 -1.252 1.00 22.54 C ATOM 685 CG ASP A 42 -7.172 15.420 -2.687 1.00 72.53 C ATOM 686 OD1 ASP A 42 -7.838 16.386 -3.113 1.00 64.44 O ATOM 687 OD2 ASP A 42 -6.308 14.850 -3.388 1.00 64.22 O ATOM 0 H ASP A 42 -7.875 13.675 0.771 1.00 65.14 H new ATOM 0 HA ASP A 42 -9.574 14.842 -1.256 1.00 35.22 H new ATOM 0 HB2 ASP A 42 -7.398 15.777 -0.574 1.00 22.54 H new ATOM 0 HB3 ASP A 42 -6.590 14.270 -0.960 1.00 22.54 H new ATOM 692 N LEU A 43 -8.210 11.886 -1.788 1.00 14.12 N ATOM 693 CA LEU A 43 -8.261 10.658 -2.610 1.00 71.44 C ATOM 694 C LEU A 43 -9.602 9.939 -2.450 1.00 45.35 C ATOM 695 O LEU A 43 -10.009 9.191 -3.320 1.00 54.10 O ATOM 696 CB LEU A 43 -7.108 9.708 -2.246 1.00 20.24 C ATOM 697 CG LEU A 43 -5.687 10.229 -2.594 1.00 63.43 C ATOM 698 CD1 LEU A 43 -4.627 9.210 -2.227 1.00 2.51 C ATOM 699 CD2 LEU A 43 -5.558 10.590 -4.068 1.00 15.35 C ATOM 0 H LEU A 43 -7.613 11.800 -0.966 1.00 14.12 H new ATOM 0 HA LEU A 43 -8.154 10.957 -3.653 1.00 71.44 H new ATOM 0 HB2 LEU A 43 -7.151 9.504 -1.176 1.00 20.24 H new ATOM 0 HB3 LEU A 43 -7.265 8.759 -2.758 1.00 20.24 H new ATOM 0 HG LEU A 43 -5.533 11.134 -2.005 1.00 63.43 H new ATOM 0 HD11 LEU A 43 -3.642 9.602 -2.482 1.00 2.51 H new ATOM 0 HD12 LEU A 43 -4.671 9.008 -1.157 1.00 2.51 H new ATOM 0 HD13 LEU A 43 -4.804 8.286 -2.778 1.00 2.51 H new ATOM 0 HD21 LEU A 43 -4.549 10.950 -4.268 1.00 15.35 H new ATOM 0 HD22 LEU A 43 -5.756 9.708 -4.677 1.00 15.35 H new ATOM 0 HD23 LEU A 43 -6.277 11.371 -4.316 1.00 15.35 H new ATOM 711 N GLN A 44 -10.294 10.203 -1.337 1.00 70.43 N ATOM 712 CA GLN A 44 -11.664 9.730 -1.103 1.00 54.44 C ATOM 713 C GLN A 44 -12.673 10.342 -2.099 1.00 1.22 C ATOM 714 O GLN A 44 -13.817 9.879 -2.211 1.00 5.43 O ATOM 715 CB GLN A 44 -12.040 10.021 0.356 1.00 41.21 C ATOM 716 CG GLN A 44 -11.213 9.167 1.316 1.00 71.33 C ATOM 717 CD GLN A 44 -11.621 9.259 2.766 1.00 15.14 C ATOM 718 OE1 GLN A 44 -12.763 9.577 3.104 1.00 74.03 O ATOM 719 NE2 GLN A 44 -10.711 8.880 3.622 1.00 52.43 N ATOM 0 H GLN A 44 -9.917 10.755 -0.567 1.00 70.43 H new ATOM 0 HA GLN A 44 -11.705 8.655 -1.276 1.00 54.44 H new ATOM 0 HB2 GLN A 44 -11.879 11.077 0.573 1.00 41.21 H new ATOM 0 HB3 GLN A 44 -13.101 9.822 0.508 1.00 41.21 H new ATOM 0 HG2 GLN A 44 -11.280 8.126 1.001 1.00 71.33 H new ATOM 0 HG3 GLN A 44 -10.167 9.460 1.229 1.00 71.33 H new ATOM 0 HE21 GLN A 44 -9.779 8.626 3.296 1.00 52.43 H new ATOM 0 HE22 GLN A 44 -10.933 8.838 4.617 1.00 52.43 H new ATOM 728 N SER A 45 -12.220 11.373 -2.834 1.00 5.14 N ATOM 729 CA SER A 45 -12.977 12.001 -3.921 1.00 21.51 C ATOM 730 C SER A 45 -12.259 11.806 -5.280 1.00 11.42 C ATOM 731 O SER A 45 -12.826 12.121 -6.331 1.00 11.11 O ATOM 732 CB SER A 45 -13.154 13.493 -3.613 1.00 73.13 C ATOM 733 OG SER A 45 -13.690 13.690 -2.313 1.00 13.24 O ATOM 0 H SER A 45 -11.304 11.796 -2.684 1.00 5.14 H new ATOM 0 HA SER A 45 -13.956 11.527 -3.995 1.00 21.51 H new ATOM 0 HB2 SER A 45 -12.192 14.000 -3.693 1.00 73.13 H new ATOM 0 HB3 SER A 45 -13.815 13.944 -4.354 1.00 73.13 H new ATOM 0 HG SER A 45 -13.791 14.650 -2.143 1.00 13.24 H new ATOM 739 N SER A 46 -11.021 11.261 -5.249 1.00 43.32 N ATOM 740 CA SER A 46 -10.186 11.083 -6.450 1.00 14.13 C ATOM 741 C SER A 46 -9.561 9.662 -6.449 1.00 21.42 C ATOM 742 O SER A 46 -8.401 9.474 -6.833 1.00 54.53 O ATOM 743 CB SER A 46 -9.110 12.202 -6.486 1.00 20.54 C ATOM 744 OG SER A 46 -8.391 12.208 -7.710 1.00 2.51 O ATOM 0 H SER A 46 -10.577 10.934 -4.391 1.00 43.32 H new ATOM 0 HA SER A 46 -10.789 11.167 -7.354 1.00 14.13 H new ATOM 0 HB2 SER A 46 -9.589 13.170 -6.342 1.00 20.54 H new ATOM 0 HB3 SER A 46 -8.415 12.064 -5.658 1.00 20.54 H new ATOM 0 HG SER A 46 -8.015 11.318 -7.873 1.00 2.51 H new ATOM 750 N LEU A 47 -10.351 8.654 -6.014 1.00 14.22 N ATOM 751 CA LEU A 47 -9.943 7.236 -6.094 1.00 32.42 C ATOM 752 C LEU A 47 -9.941 6.743 -7.544 1.00 42.44 C ATOM 753 O LEU A 47 -10.914 6.933 -8.291 1.00 33.14 O ATOM 754 CB LEU A 47 -10.827 6.288 -5.231 1.00 51.45 C ATOM 755 CG LEU A 47 -10.402 6.089 -3.731 1.00 12.15 C ATOM 756 CD1 LEU A 47 -10.925 4.753 -3.227 1.00 54.34 C ATOM 757 CD2 LEU A 47 -8.871 6.174 -3.515 1.00 52.25 C ATOM 0 H LEU A 47 -11.274 8.798 -5.604 1.00 14.22 H new ATOM 0 HA LEU A 47 -8.932 7.201 -5.688 1.00 32.42 H new ATOM 0 HB2 LEU A 47 -11.848 6.669 -5.247 1.00 51.45 H new ATOM 0 HB3 LEU A 47 -10.844 5.310 -5.711 1.00 51.45 H new ATOM 0 HG LEU A 47 -10.842 6.908 -3.163 1.00 12.15 H new ATOM 0 HD11 LEU A 47 -10.630 4.616 -2.187 1.00 54.34 H new ATOM 0 HD12 LEU A 47 -12.012 4.737 -3.301 1.00 54.34 H new ATOM 0 HD13 LEU A 47 -10.508 3.948 -3.832 1.00 54.34 H new ATOM 0 HD21 LEU A 47 -8.644 6.028 -2.459 1.00 52.25 H new ATOM 0 HD22 LEU A 47 -8.377 5.400 -4.102 1.00 52.25 H new ATOM 0 HD23 LEU A 47 -8.513 7.154 -3.831 1.00 52.25 H new ATOM 769 N THR A 48 -8.845 6.089 -7.913 1.00 73.31 N ATOM 770 CA THR A 48 -8.738 5.361 -9.164 1.00 15.22 C ATOM 771 C THR A 48 -9.275 3.951 -8.920 1.00 53.32 C ATOM 772 O THR A 48 -8.615 3.109 -8.300 1.00 32.43 O ATOM 773 CB THR A 48 -7.275 5.339 -9.703 1.00 24.03 C ATOM 774 OG1 THR A 48 -6.361 5.118 -8.616 1.00 13.03 O ATOM 775 CG2 THR A 48 -6.902 6.646 -10.425 1.00 41.20 C ATOM 0 H THR A 48 -8.000 6.051 -7.344 1.00 73.31 H new ATOM 0 HA THR A 48 -9.325 5.858 -9.937 1.00 15.22 H new ATOM 0 HB THR A 48 -7.206 4.527 -10.427 1.00 24.03 H new ATOM 0 HG1 THR A 48 -6.692 4.386 -8.054 1.00 13.03 H new ATOM 0 HG21 THR A 48 -5.874 6.584 -10.783 1.00 41.20 H new ATOM 0 HG22 THR A 48 -7.572 6.798 -11.271 1.00 41.20 H new ATOM 0 HG23 THR A 48 -6.995 7.483 -9.733 1.00 41.20 H new ATOM 783 N GLU A 49 -10.513 3.732 -9.370 1.00 32.21 N ATOM 784 CA GLU A 49 -11.214 2.459 -9.208 1.00 43.33 C ATOM 785 C GLU A 49 -10.558 1.353 -10.039 1.00 44.25 C ATOM 786 O GLU A 49 -10.679 0.178 -9.707 1.00 45.24 O ATOM 787 CB GLU A 49 -12.707 2.613 -9.571 1.00 43.23 C ATOM 788 CG GLU A 49 -13.527 3.374 -8.513 1.00 73.11 C ATOM 789 CD GLU A 49 -15.011 3.512 -8.880 1.00 61.44 C ATOM 790 OE1 GLU A 49 -15.741 2.492 -8.831 1.00 5.14 O ATOM 791 OE2 GLU A 49 -15.461 4.634 -9.213 1.00 15.40 O ATOM 0 H GLU A 49 -11.060 4.440 -9.861 1.00 32.21 H new ATOM 0 HA GLU A 49 -11.144 2.167 -8.160 1.00 43.33 H new ATOM 0 HB2 GLU A 49 -12.788 3.135 -10.525 1.00 43.23 H new ATOM 0 HB3 GLU A 49 -13.141 1.623 -9.711 1.00 43.23 H new ATOM 0 HG2 GLU A 49 -13.443 2.857 -7.557 1.00 73.11 H new ATOM 0 HG3 GLU A 49 -13.099 4.367 -8.377 1.00 73.11 H new ATOM 798 N GLU A 50 -9.847 1.752 -11.105 1.00 72.22 N ATOM 799 CA GLU A 50 -9.073 0.839 -11.937 1.00 14.44 C ATOM 800 C GLU A 50 -7.914 0.220 -11.125 1.00 54.13 C ATOM 801 O GLU A 50 -7.573 -0.941 -11.322 1.00 10.23 O ATOM 802 CB GLU A 50 -8.549 1.603 -13.165 1.00 34.11 C ATOM 803 CG GLU A 50 -7.903 0.707 -14.230 1.00 10.14 C ATOM 804 CD GLU A 50 -7.256 1.499 -15.375 1.00 22.43 C ATOM 805 OE1 GLU A 50 -6.078 1.898 -15.235 1.00 5.55 O ATOM 806 OE2 GLU A 50 -7.916 1.744 -16.409 1.00 2.34 O ATOM 0 H GLU A 50 -9.797 2.724 -11.409 1.00 72.22 H new ATOM 0 HA GLU A 50 -9.708 0.020 -12.275 1.00 14.44 H new ATOM 0 HB2 GLU A 50 -9.375 2.151 -13.619 1.00 34.11 H new ATOM 0 HB3 GLU A 50 -7.819 2.342 -12.836 1.00 34.11 H new ATOM 0 HG2 GLU A 50 -7.147 0.080 -13.758 1.00 10.14 H new ATOM 0 HG3 GLU A 50 -8.660 0.039 -14.641 1.00 10.14 H new ATOM 813 N SER A 51 -7.355 0.999 -10.174 1.00 22.11 N ATOM 814 CA SER A 51 -6.250 0.534 -9.305 1.00 3.24 C ATOM 815 C SER A 51 -6.680 -0.592 -8.333 1.00 52.10 C ATOM 816 O SER A 51 -5.813 -1.237 -7.738 1.00 22.35 O ATOM 817 CB SER A 51 -5.633 1.716 -8.526 1.00 11.33 C ATOM 818 OG SER A 51 -5.092 2.680 -9.412 1.00 45.11 O ATOM 0 H SER A 51 -7.652 1.957 -9.987 1.00 22.11 H new ATOM 0 HA SER A 51 -5.494 0.108 -9.965 1.00 3.24 H new ATOM 0 HB2 SER A 51 -6.394 2.180 -7.899 1.00 11.33 H new ATOM 0 HB3 SER A 51 -4.852 1.349 -7.860 1.00 11.33 H new ATOM 0 HG SER A 51 -5.452 3.565 -9.192 1.00 45.11 H new ATOM 824 N TYR A 52 -8.006 -0.819 -8.135 1.00 43.44 N ATOM 825 CA TYR A 52 -8.487 -2.035 -7.436 1.00 32.43 C ATOM 826 C TYR A 52 -9.022 -3.054 -8.470 1.00 21.43 C ATOM 827 O TYR A 52 -8.831 -4.250 -8.308 1.00 61.34 O ATOM 828 CB TYR A 52 -9.539 -1.728 -6.300 1.00 62.25 C ATOM 829 CG TYR A 52 -11.006 -1.449 -6.711 1.00 34.21 C ATOM 830 CD1 TYR A 52 -11.869 -2.495 -7.081 1.00 64.42 C ATOM 831 CD2 TYR A 52 -11.543 -0.157 -6.710 1.00 31.34 C ATOM 832 CE1 TYR A 52 -13.179 -2.260 -7.444 1.00 51.03 C ATOM 833 CE2 TYR A 52 -12.858 0.071 -7.068 1.00 62.02 C ATOM 834 CZ TYR A 52 -13.669 -0.978 -7.439 1.00 62.34 C ATOM 835 OH TYR A 52 -14.980 -0.739 -7.808 1.00 22.30 O ATOM 0 H TYR A 52 -8.746 -0.188 -8.444 1.00 43.44 H new ATOM 0 HA TYR A 52 -7.636 -2.475 -6.916 1.00 32.43 H new ATOM 0 HB2 TYR A 52 -9.542 -2.574 -5.613 1.00 62.25 H new ATOM 0 HB3 TYR A 52 -9.181 -0.864 -5.740 1.00 62.25 H new ATOM 0 HD1 TYR A 52 -11.497 -3.509 -7.081 1.00 64.42 H new ATOM 0 HD2 TYR A 52 -10.919 0.677 -6.424 1.00 31.34 H new ATOM 0 HE1 TYR A 52 -13.817 -3.083 -7.731 1.00 51.03 H new ATOM 0 HE2 TYR A 52 -13.251 1.077 -7.057 1.00 62.02 H new ATOM 0 HH TYR A 52 -15.167 0.221 -7.748 1.00 22.30 H new ATOM 845 N ASP A 53 -9.639 -2.547 -9.554 1.00 43.31 N ATOM 846 CA ASP A 53 -10.396 -3.358 -10.541 1.00 13.34 C ATOM 847 C ASP A 53 -9.466 -4.243 -11.387 1.00 2.04 C ATOM 848 O ASP A 53 -9.667 -5.461 -11.468 1.00 73.44 O ATOM 849 CB ASP A 53 -11.222 -2.395 -11.432 1.00 22.21 C ATOM 850 CG ASP A 53 -12.063 -3.094 -12.516 1.00 72.34 C ATOM 851 OD1 ASP A 53 -13.207 -3.492 -12.230 1.00 72.41 O ATOM 852 OD2 ASP A 53 -11.590 -3.242 -13.664 1.00 73.22 O ATOM 0 H ASP A 53 -9.629 -1.552 -9.776 1.00 43.31 H new ATOM 0 HA ASP A 53 -11.064 -4.038 -10.012 1.00 13.34 H new ATOM 0 HB2 ASP A 53 -11.886 -1.810 -10.795 1.00 22.21 H new ATOM 0 HB3 ASP A 53 -10.542 -1.692 -11.914 1.00 22.21 H new ATOM 857 N SER A 54 -8.458 -3.615 -12.019 1.00 22.20 N ATOM 858 CA SER A 54 -7.406 -4.331 -12.758 1.00 73.11 C ATOM 859 C SER A 54 -6.625 -5.239 -11.796 1.00 73.21 C ATOM 860 O SER A 54 -6.349 -6.390 -12.110 1.00 22.54 O ATOM 861 CB SER A 54 -6.451 -3.331 -13.436 1.00 2.31 C ATOM 862 OG SER A 54 -5.728 -2.566 -12.486 1.00 21.54 O ATOM 0 H SER A 54 -8.351 -2.601 -12.031 1.00 22.20 H new ATOM 0 HA SER A 54 -7.871 -4.943 -13.531 1.00 73.11 H new ATOM 0 HB2 SER A 54 -5.752 -3.872 -14.075 1.00 2.31 H new ATOM 0 HB3 SER A 54 -7.022 -2.664 -14.081 1.00 2.31 H new ATOM 0 HG SER A 54 -6.313 -1.877 -12.107 1.00 21.54 H new ATOM 868 N TYR A 55 -6.317 -4.680 -10.600 1.00 41.52 N ATOM 869 CA TYR A 55 -5.651 -5.379 -9.487 1.00 54.52 C ATOM 870 C TYR A 55 -6.353 -6.714 -9.146 1.00 73.22 C ATOM 871 O TYR A 55 -5.677 -7.704 -8.832 1.00 11.11 O ATOM 872 CB TYR A 55 -5.595 -4.425 -8.249 1.00 72.30 C ATOM 873 CG TYR A 55 -5.450 -5.110 -6.884 1.00 53.21 C ATOM 874 CD1 TYR A 55 -4.214 -5.562 -6.433 1.00 14.41 C ATOM 875 CD2 TYR A 55 -6.565 -5.327 -6.053 1.00 21.54 C ATOM 876 CE1 TYR A 55 -4.094 -6.198 -5.219 1.00 64.22 C ATOM 877 CE2 TYR A 55 -6.442 -5.967 -4.842 1.00 12.33 C ATOM 878 CZ TYR A 55 -5.206 -6.399 -4.426 1.00 41.24 C ATOM 879 OH TYR A 55 -5.080 -7.041 -3.207 1.00 0.24 O ATOM 0 H TYR A 55 -6.532 -3.707 -10.383 1.00 41.52 H new ATOM 0 HA TYR A 55 -4.635 -5.637 -9.787 1.00 54.52 H new ATOM 0 HB2 TYR A 55 -4.759 -3.739 -8.381 1.00 72.30 H new ATOM 0 HB3 TYR A 55 -6.503 -3.822 -8.237 1.00 72.30 H new ATOM 0 HD1 TYR A 55 -3.337 -5.412 -7.044 1.00 14.41 H new ATOM 0 HD2 TYR A 55 -7.538 -4.984 -6.373 1.00 21.54 H new ATOM 0 HE1 TYR A 55 -3.126 -6.541 -4.885 1.00 64.22 H new ATOM 0 HE2 TYR A 55 -7.311 -6.129 -4.222 1.00 12.33 H new ATOM 0 HH TYR A 55 -5.958 -7.099 -2.776 1.00 0.24 H new ATOM 889 N LEU A 56 -7.703 -6.728 -9.216 1.00 22.20 N ATOM 890 CA LEU A 56 -8.502 -7.924 -8.910 1.00 43.45 C ATOM 891 C LEU A 56 -8.233 -9.055 -9.914 1.00 23.31 C ATOM 892 O LEU A 56 -8.331 -10.216 -9.557 1.00 50.34 O ATOM 893 CB LEU A 56 -10.026 -7.610 -8.854 1.00 13.43 C ATOM 894 CG LEU A 56 -10.509 -6.738 -7.653 1.00 24.13 C ATOM 895 CD1 LEU A 56 -12.007 -6.435 -7.748 1.00 73.12 C ATOM 896 CD2 LEU A 56 -10.162 -7.386 -6.298 1.00 72.40 C ATOM 0 H LEU A 56 -8.260 -5.916 -9.484 1.00 22.20 H new ATOM 0 HA LEU A 56 -8.190 -8.258 -7.920 1.00 43.45 H new ATOM 0 HB2 LEU A 56 -10.305 -7.104 -9.778 1.00 13.43 H new ATOM 0 HB3 LEU A 56 -10.569 -8.555 -8.831 1.00 13.43 H new ATOM 0 HG LEU A 56 -9.971 -5.792 -7.711 1.00 24.13 H new ATOM 0 HD11 LEU A 56 -12.310 -5.826 -6.896 1.00 73.12 H new ATOM 0 HD12 LEU A 56 -12.211 -5.894 -8.672 1.00 73.12 H new ATOM 0 HD13 LEU A 56 -12.568 -7.369 -7.744 1.00 73.12 H new ATOM 0 HD21 LEU A 56 -10.515 -6.748 -5.488 1.00 72.40 H new ATOM 0 HD22 LEU A 56 -10.643 -8.361 -6.227 1.00 72.40 H new ATOM 0 HD23 LEU A 56 -9.082 -7.508 -6.219 1.00 72.40 H new ATOM 908 N LYS A 57 -7.893 -8.697 -11.167 1.00 54.42 N ATOM 909 CA LYS A 57 -7.590 -9.673 -12.226 1.00 64.41 C ATOM 910 C LYS A 57 -6.282 -10.425 -11.920 1.00 2.51 C ATOM 911 O LYS A 57 -6.184 -11.639 -12.149 1.00 64.42 O ATOM 912 CB LYS A 57 -7.521 -8.967 -13.592 1.00 72.14 C ATOM 913 CG LYS A 57 -8.757 -8.094 -13.950 1.00 23.42 C ATOM 914 CD LYS A 57 -10.139 -8.836 -13.994 1.00 61.55 C ATOM 915 CE LYS A 57 -10.895 -8.847 -12.648 1.00 65.20 C ATOM 916 NZ LYS A 57 -12.251 -9.440 -12.765 1.00 11.23 N ATOM 0 H LYS A 57 -7.821 -7.726 -11.471 1.00 54.42 H new ATOM 0 HA LYS A 57 -8.392 -10.411 -12.262 1.00 64.41 H new ATOM 0 HB2 LYS A 57 -6.633 -8.336 -13.612 1.00 72.14 H new ATOM 0 HB3 LYS A 57 -7.393 -9.722 -14.367 1.00 72.14 H new ATOM 0 HG2 LYS A 57 -8.826 -7.284 -13.224 1.00 23.42 H new ATOM 0 HG3 LYS A 57 -8.583 -7.636 -14.924 1.00 23.42 H new ATOM 0 HD2 LYS A 57 -10.769 -8.363 -14.748 1.00 61.55 H new ATOM 0 HD3 LYS A 57 -9.976 -9.865 -14.315 1.00 61.55 H new ATOM 0 HE2 LYS A 57 -10.317 -9.410 -11.915 1.00 65.20 H new ATOM 0 HE3 LYS A 57 -10.979 -7.827 -12.273 1.00 65.20 H new ATOM 0 HZ1 LYS A 57 -12.914 -8.912 -12.162 1.00 11.23 H new ATOM 0 HZ2 LYS A 57 -12.568 -9.390 -13.754 1.00 11.23 H new ATOM 0 HZ3 LYS A 57 -12.223 -10.434 -12.461 1.00 11.23 H new ATOM 930 N ILE A 58 -5.284 -9.684 -11.376 1.00 2.04 N ATOM 931 CA ILE A 58 -4.039 -10.291 -10.861 1.00 35.44 C ATOM 932 C ILE A 58 -4.392 -11.178 -9.647 1.00 62.42 C ATOM 933 O ILE A 58 -3.974 -12.329 -9.566 1.00 73.24 O ATOM 934 CB ILE A 58 -2.934 -9.230 -10.412 1.00 64.14 C ATOM 935 CG1 ILE A 58 -2.453 -8.314 -11.588 1.00 35.13 C ATOM 936 CG2 ILE A 58 -1.708 -9.921 -9.745 1.00 4.21 C ATOM 937 CD1 ILE A 58 -3.397 -7.193 -11.953 1.00 32.45 C ATOM 0 H ILE A 58 -5.321 -8.669 -11.285 1.00 2.04 H new ATOM 0 HA ILE A 58 -3.606 -10.863 -11.682 1.00 35.44 H new ATOM 0 HB ILE A 58 -3.424 -8.592 -9.676 1.00 64.14 H new ATOM 0 HG12 ILE A 58 -1.488 -7.883 -11.321 1.00 35.13 H new ATOM 0 HG13 ILE A 58 -2.292 -8.935 -12.469 1.00 35.13 H new ATOM 0 HG21 ILE A 58 -0.978 -9.165 -9.454 1.00 4.21 H new ATOM 0 HG22 ILE A 58 -2.035 -10.469 -8.862 1.00 4.21 H new ATOM 0 HG23 ILE A 58 -1.251 -10.613 -10.452 1.00 4.21 H new ATOM 0 HD11 ILE A 58 -2.976 -6.616 -12.776 1.00 32.45 H new ATOM 0 HD12 ILE A 58 -4.357 -7.610 -12.256 1.00 32.45 H new ATOM 0 HD13 ILE A 58 -3.540 -6.542 -11.090 1.00 32.45 H new ATOM 949 N LEU A 59 -5.219 -10.617 -8.753 1.00 21.42 N ATOM 950 CA LEU A 59 -5.623 -11.238 -7.471 1.00 43.11 C ATOM 951 C LEU A 59 -6.310 -12.593 -7.676 1.00 35.32 C ATOM 952 O LEU A 59 -6.135 -13.527 -6.887 1.00 24.20 O ATOM 953 CB LEU A 59 -6.602 -10.314 -6.731 1.00 22.13 C ATOM 954 CG LEU A 59 -6.763 -10.548 -5.199 1.00 74.32 C ATOM 955 CD1 LEU A 59 -5.449 -10.276 -4.454 1.00 64.43 C ATOM 956 CD2 LEU A 59 -7.911 -9.702 -4.637 1.00 1.12 C ATOM 0 H LEU A 59 -5.638 -9.699 -8.899 1.00 21.42 H new ATOM 0 HA LEU A 59 -4.713 -11.391 -6.891 1.00 43.11 H new ATOM 0 HB2 LEU A 59 -6.281 -9.284 -6.886 1.00 22.13 H new ATOM 0 HB3 LEU A 59 -7.583 -10.415 -7.196 1.00 22.13 H new ATOM 0 HG LEU A 59 -7.014 -11.597 -5.042 1.00 74.32 H new ATOM 0 HD11 LEU A 59 -5.593 -10.448 -3.387 1.00 64.43 H new ATOM 0 HD12 LEU A 59 -4.674 -10.945 -4.828 1.00 64.43 H new ATOM 0 HD13 LEU A 59 -5.146 -9.242 -4.617 1.00 64.43 H new ATOM 0 HD21 LEU A 59 -8.005 -9.882 -3.566 1.00 1.12 H new ATOM 0 HD22 LEU A 59 -7.704 -8.646 -4.811 1.00 1.12 H new ATOM 0 HD23 LEU A 59 -8.842 -9.976 -5.134 1.00 1.12 H new ATOM 968 N GLU A 60 -7.101 -12.662 -8.749 1.00 53.13 N ATOM 969 CA GLU A 60 -7.888 -13.827 -9.093 1.00 15.40 C ATOM 970 C GLU A 60 -7.013 -15.009 -9.558 1.00 74.30 C ATOM 971 O GLU A 60 -7.464 -16.155 -9.542 1.00 35.24 O ATOM 972 CB GLU A 60 -8.940 -13.440 -10.164 1.00 14.33 C ATOM 973 CG GLU A 60 -10.168 -12.700 -9.603 1.00 32.14 C ATOM 974 CD GLU A 60 -11.303 -12.514 -10.630 1.00 30.20 C ATOM 975 OE1 GLU A 60 -11.040 -11.980 -11.724 1.00 13.32 O ATOM 976 OE2 GLU A 60 -12.460 -12.885 -10.343 1.00 75.21 O ATOM 0 H GLU A 60 -7.208 -11.891 -9.409 1.00 53.13 H new ATOM 0 HA GLU A 60 -8.402 -14.170 -8.195 1.00 15.40 H new ATOM 0 HB2 GLU A 60 -8.463 -12.811 -10.916 1.00 14.33 H new ATOM 0 HB3 GLU A 60 -9.275 -14.345 -10.672 1.00 14.33 H new ATOM 0 HG2 GLU A 60 -10.553 -13.252 -8.745 1.00 32.14 H new ATOM 0 HG3 GLU A 60 -9.856 -11.721 -9.238 1.00 32.14 H new ATOM 983 N LYS A 61 -5.764 -14.719 -9.960 1.00 22.04 N ATOM 984 CA LYS A 61 -4.777 -15.763 -10.349 1.00 61.32 C ATOM 985 C LYS A 61 -3.681 -15.874 -9.281 1.00 32.10 C ATOM 986 O LYS A 61 -2.680 -16.574 -9.473 1.00 33.43 O ATOM 987 CB LYS A 61 -4.158 -15.488 -11.747 1.00 23.30 C ATOM 988 CG LYS A 61 -3.364 -14.178 -11.854 1.00 62.23 C ATOM 989 CD LYS A 61 -2.680 -13.944 -13.228 1.00 41.23 C ATOM 990 CE LYS A 61 -1.435 -14.835 -13.474 1.00 4.41 C ATOM 991 NZ LYS A 61 -1.758 -16.284 -13.601 1.00 61.44 N ATOM 0 H LYS A 61 -5.404 -13.767 -10.027 1.00 22.04 H new ATOM 0 HA LYS A 61 -5.307 -16.713 -10.417 1.00 61.32 H new ATOM 0 HB2 LYS A 61 -3.500 -16.317 -12.007 1.00 23.30 H new ATOM 0 HB3 LYS A 61 -4.959 -15.472 -12.486 1.00 23.30 H new ATOM 0 HG2 LYS A 61 -4.036 -13.344 -11.651 1.00 62.23 H new ATOM 0 HG3 LYS A 61 -2.600 -14.168 -11.077 1.00 62.23 H new ATOM 0 HD2 LYS A 61 -3.407 -14.127 -14.020 1.00 41.23 H new ATOM 0 HD3 LYS A 61 -2.385 -12.897 -13.302 1.00 41.23 H new ATOM 0 HE2 LYS A 61 -0.933 -14.502 -14.382 1.00 4.41 H new ATOM 0 HE3 LYS A 61 -0.732 -14.698 -12.653 1.00 4.41 H new ATOM 0 HZ1 LYS A 61 -1.154 -16.712 -14.331 1.00 61.44 H new ATOM 0 HZ2 LYS A 61 -1.590 -16.758 -12.691 1.00 61.44 H new ATOM 0 HZ3 LYS A 61 -2.757 -16.395 -13.870 1.00 61.44 H new ATOM 1005 N GLN A 62 -3.875 -15.159 -8.164 1.00 1.23 N ATOM 1006 CA GLN A 62 -2.990 -15.230 -7.009 1.00 35.14 C ATOM 1007 C GLN A 62 -3.410 -16.355 -6.062 1.00 63.05 C ATOM 1008 O GLN A 62 -2.565 -16.966 -5.437 1.00 12.12 O ATOM 1009 CB GLN A 62 -2.988 -13.889 -6.232 1.00 43.22 C ATOM 1010 CG GLN A 62 -2.392 -12.691 -6.958 1.00 0.24 C ATOM 1011 CD GLN A 62 -1.026 -12.993 -7.540 1.00 43.33 C ATOM 1012 OE1 GLN A 62 0.001 -12.840 -6.880 1.00 1.41 O ATOM 1013 NE2 GLN A 62 -1.006 -13.428 -8.785 1.00 23.00 N ATOM 0 H GLN A 62 -4.656 -14.514 -8.043 1.00 1.23 H new ATOM 0 HA GLN A 62 -1.986 -15.433 -7.382 1.00 35.14 H new ATOM 0 HB2 GLN A 62 -4.016 -13.649 -5.961 1.00 43.22 H new ATOM 0 HB3 GLN A 62 -2.439 -14.033 -5.301 1.00 43.22 H new ATOM 0 HG2 GLN A 62 -3.065 -12.382 -7.758 1.00 0.24 H new ATOM 0 HG3 GLN A 62 -2.313 -11.852 -6.266 1.00 0.24 H new ATOM 0 HE21 GLN A 62 -1.879 -13.542 -9.300 1.00 23.00 H new ATOM 0 HE22 GLN A 62 -0.117 -13.651 -9.233 1.00 23.00 H new ATOM 1022 N GLY A 63 -4.707 -16.625 -5.954 1.00 35.32 N ATOM 1023 CA GLY A 63 -5.213 -17.462 -4.867 1.00 64.30 C ATOM 1024 C GLY A 63 -5.648 -16.590 -3.696 1.00 24.41 C ATOM 1025 O GLY A 63 -6.056 -15.439 -3.897 1.00 45.42 O ATOM 0 H GLY A 63 -5.421 -16.282 -6.597 1.00 35.32 H new ATOM 0 HA2 GLY A 63 -6.054 -18.059 -5.218 1.00 64.30 H new ATOM 0 HA3 GLY A 63 -4.440 -18.159 -4.544 1.00 64.30 H new ATOM 1029 N GLU A 64 -5.554 -17.126 -2.474 1.00 53.40 N ATOM 1030 CA GLU A 64 -5.813 -16.365 -1.236 1.00 14.13 C ATOM 1031 C GLU A 64 -4.488 -16.136 -0.481 1.00 64.45 C ATOM 1032 O GLU A 64 -3.538 -16.928 -0.605 1.00 50.30 O ATOM 1033 CB GLU A 64 -6.848 -17.099 -0.346 1.00 14.01 C ATOM 1034 CG GLU A 64 -7.236 -16.374 0.972 1.00 14.22 C ATOM 1035 CD GLU A 64 -7.904 -14.997 0.753 1.00 1.45 C ATOM 1036 OE1 GLU A 64 -9.119 -14.949 0.454 1.00 23.44 O ATOM 1037 OE2 GLU A 64 -7.216 -13.949 0.865 1.00 24.24 O ATOM 0 H GLU A 64 -5.297 -18.099 -2.310 1.00 53.40 H new ATOM 0 HA GLU A 64 -6.236 -15.395 -1.496 1.00 14.13 H new ATOM 0 HB2 GLU A 64 -7.754 -17.260 -0.931 1.00 14.01 H new ATOM 0 HB3 GLU A 64 -6.451 -18.083 -0.095 1.00 14.01 H new ATOM 0 HG2 GLU A 64 -7.915 -17.011 1.540 1.00 14.22 H new ATOM 0 HG3 GLU A 64 -6.341 -16.241 1.580 1.00 14.22 H new ATOM 1044 N PHE A 65 -4.445 -15.011 0.247 1.00 31.53 N ATOM 1045 CA PHE A 65 -3.301 -14.570 1.059 1.00 35.24 C ATOM 1046 C PHE A 65 -2.977 -15.604 2.147 1.00 63.14 C ATOM 1047 O PHE A 65 -3.847 -15.985 2.938 1.00 44.23 O ATOM 1048 CB PHE A 65 -3.616 -13.162 1.655 1.00 75.24 C ATOM 1049 CG PHE A 65 -2.895 -12.774 2.954 1.00 22.12 C ATOM 1050 CD1 PHE A 65 -1.525 -12.581 2.974 1.00 64.32 C ATOM 1051 CD2 PHE A 65 -3.597 -12.585 4.148 1.00 54.01 C ATOM 1052 CE1 PHE A 65 -0.872 -12.222 4.127 1.00 65.51 C ATOM 1053 CE2 PHE A 65 -2.937 -12.226 5.309 1.00 51.33 C ATOM 1054 CZ PHE A 65 -1.576 -12.043 5.297 1.00 42.13 C ATOM 0 H PHE A 65 -5.231 -14.362 0.288 1.00 31.53 H new ATOM 0 HA PHE A 65 -2.411 -14.487 0.436 1.00 35.24 H new ATOM 0 HB2 PHE A 65 -3.377 -12.414 0.899 1.00 75.24 H new ATOM 0 HB3 PHE A 65 -4.690 -13.103 1.834 1.00 75.24 H new ATOM 0 HD1 PHE A 65 -0.958 -12.715 2.065 1.00 64.32 H new ATOM 0 HD2 PHE A 65 -4.668 -12.721 4.164 1.00 54.01 H new ATOM 0 HE1 PHE A 65 0.198 -12.079 4.116 1.00 65.51 H new ATOM 0 HE2 PHE A 65 -3.492 -12.090 6.225 1.00 51.33 H new ATOM 0 HZ PHE A 65 -1.059 -11.760 6.202 1.00 42.13 H new ATOM 1064 N LYS A 66 -1.720 -16.061 2.151 1.00 24.53 N ATOM 1065 CA LYS A 66 -1.220 -17.052 3.121 1.00 64.31 C ATOM 1066 C LYS A 66 -0.261 -16.377 4.111 1.00 73.50 C ATOM 1067 O LYS A 66 -0.341 -16.615 5.320 1.00 11.45 O ATOM 1068 CB LYS A 66 -0.514 -18.216 2.371 1.00 4.35 C ATOM 1069 CG LYS A 66 -1.401 -18.915 1.311 1.00 1.12 C ATOM 1070 CD LYS A 66 -2.711 -19.525 1.874 1.00 51.01 C ATOM 1071 CE LYS A 66 -2.524 -20.825 2.690 1.00 32.11 C ATOM 1072 NZ LYS A 66 -1.771 -20.628 3.960 1.00 21.11 N ATOM 0 H LYS A 66 -1.015 -15.755 1.480 1.00 24.53 H new ATOM 0 HA LYS A 66 -2.059 -17.464 3.683 1.00 64.31 H new ATOM 0 HB2 LYS A 66 0.381 -17.830 1.883 1.00 4.35 H new ATOM 0 HB3 LYS A 66 -0.185 -18.957 3.100 1.00 4.35 H new ATOM 0 HG2 LYS A 66 -1.655 -18.194 0.534 1.00 1.12 H new ATOM 0 HG3 LYS A 66 -0.822 -19.706 0.834 1.00 1.12 H new ATOM 0 HD2 LYS A 66 -3.198 -18.783 2.507 1.00 51.01 H new ATOM 0 HD3 LYS A 66 -3.387 -19.728 1.043 1.00 51.01 H new ATOM 0 HE2 LYS A 66 -3.504 -21.244 2.919 1.00 32.11 H new ATOM 0 HE3 LYS A 66 -2.000 -21.557 2.076 1.00 32.11 H new ATOM 0 HZ1 LYS A 66 -2.182 -21.228 4.704 1.00 21.11 H new ATOM 0 HZ2 LYS A 66 -0.774 -20.888 3.817 1.00 21.11 H new ATOM 0 HZ3 LYS A 66 -1.830 -19.630 4.247 1.00 21.11 H new ATOM 1086 N GLU A 67 0.610 -15.507 3.582 1.00 65.34 N ATOM 1087 CA GLU A 67 1.711 -14.884 4.335 1.00 52.31 C ATOM 1088 C GLU A 67 2.234 -13.652 3.554 1.00 33.32 C ATOM 1089 O GLU A 67 1.824 -13.436 2.421 1.00 61.22 O ATOM 1090 CB GLU A 67 2.832 -15.944 4.556 1.00 74.35 C ATOM 1091 CG GLU A 67 4.018 -15.444 5.387 1.00 2.42 C ATOM 1092 CD GLU A 67 5.091 -16.505 5.651 1.00 14.14 C ATOM 1093 OE1 GLU A 67 5.835 -16.851 4.713 1.00 50.24 O ATOM 1094 OE2 GLU A 67 5.205 -17.001 6.792 1.00 50.30 O ATOM 0 H GLU A 67 0.571 -15.211 2.607 1.00 65.34 H new ATOM 0 HA GLU A 67 1.366 -14.540 5.310 1.00 52.31 H new ATOM 0 HB2 GLU A 67 2.400 -16.815 5.049 1.00 74.35 H new ATOM 0 HB3 GLU A 67 3.198 -16.276 3.585 1.00 74.35 H new ATOM 0 HG2 GLU A 67 4.477 -14.599 4.873 1.00 2.42 H new ATOM 0 HG3 GLU A 67 3.647 -15.073 6.342 1.00 2.42 H new ATOM 1101 N PHE A 68 3.053 -12.799 4.203 1.00 4.12 N ATOM 1102 CA PHE A 68 3.851 -11.736 3.536 1.00 4.34 C ATOM 1103 C PHE A 68 5.333 -12.165 3.499 1.00 43.13 C ATOM 1104 O PHE A 68 5.791 -12.832 4.428 1.00 32.12 O ATOM 1105 CB PHE A 68 3.695 -10.389 4.306 1.00 72.33 C ATOM 1106 CG PHE A 68 2.307 -9.750 4.211 1.00 42.03 C ATOM 1107 CD1 PHE A 68 1.797 -9.362 2.976 1.00 33.41 C ATOM 1108 CD2 PHE A 68 1.515 -9.537 5.339 1.00 32.21 C ATOM 1109 CE1 PHE A 68 0.551 -8.792 2.865 1.00 74.32 C ATOM 1110 CE2 PHE A 68 0.259 -8.961 5.229 1.00 74.12 C ATOM 1111 CZ PHE A 68 -0.225 -8.592 3.991 1.00 72.23 C ATOM 0 H PHE A 68 3.184 -12.825 5.214 1.00 4.12 H new ATOM 0 HA PHE A 68 3.492 -11.593 2.517 1.00 4.34 H new ATOM 0 HB2 PHE A 68 3.930 -10.559 5.357 1.00 72.33 H new ATOM 0 HB3 PHE A 68 4.432 -9.682 3.925 1.00 72.33 H new ATOM 0 HD1 PHE A 68 2.392 -9.512 2.087 1.00 33.41 H new ATOM 0 HD2 PHE A 68 1.885 -9.825 6.312 1.00 32.21 H new ATOM 0 HE1 PHE A 68 0.177 -8.500 1.895 1.00 74.32 H new ATOM 0 HE2 PHE A 68 -0.341 -8.801 6.113 1.00 74.12 H new ATOM 0 HZ PHE A 68 -1.206 -8.149 3.902 1.00 72.23 H new ATOM 1121 N GLY A 69 6.085 -11.804 2.420 1.00 53.14 N ATOM 1122 CA GLY A 69 7.507 -12.154 2.318 1.00 72.20 C ATOM 1123 C GLY A 69 8.384 -11.248 3.173 1.00 2.43 C ATOM 1124 O GLY A 69 8.495 -11.442 4.387 1.00 73.25 O ATOM 0 H GLY A 69 5.723 -11.277 1.625 1.00 53.14 H new ATOM 0 HA2 GLY A 69 7.648 -13.190 2.627 1.00 72.20 H new ATOM 0 HA3 GLY A 69 7.823 -12.086 1.277 1.00 72.20 H new ATOM 1128 N LYS A 70 9.000 -10.255 2.528 1.00 74.31 N ATOM 1129 CA LYS A 70 9.801 -9.214 3.183 1.00 0.43 C ATOM 1130 C LYS A 70 9.265 -7.827 2.800 1.00 31.32 C ATOM 1131 O LYS A 70 8.611 -7.668 1.762 1.00 0.32 O ATOM 1132 CB LYS A 70 11.301 -9.358 2.785 1.00 63.01 C ATOM 1133 CG LYS A 70 12.227 -8.317 3.450 1.00 14.33 C ATOM 1134 CD LYS A 70 13.716 -8.463 3.074 1.00 10.00 C ATOM 1135 CE LYS A 70 14.590 -7.408 3.781 1.00 30.24 C ATOM 1136 NZ LYS A 70 16.032 -7.580 3.482 1.00 2.51 N ATOM 0 H LYS A 70 8.956 -10.148 1.515 1.00 74.31 H new ATOM 0 HA LYS A 70 9.724 -9.330 4.264 1.00 0.43 H new ATOM 0 HB2 LYS A 70 11.643 -10.358 3.052 1.00 63.01 H new ATOM 0 HB3 LYS A 70 11.390 -9.270 1.702 1.00 63.01 H new ATOM 0 HG2 LYS A 70 11.890 -7.318 3.173 1.00 14.33 H new ATOM 0 HG3 LYS A 70 12.128 -8.398 4.532 1.00 14.33 H new ATOM 0 HD2 LYS A 70 14.063 -9.461 3.342 1.00 10.00 H new ATOM 0 HD3 LYS A 70 13.830 -8.365 1.994 1.00 10.00 H new ATOM 0 HE2 LYS A 70 14.274 -6.412 3.473 1.00 30.24 H new ATOM 0 HE3 LYS A 70 14.434 -7.473 4.858 1.00 30.24 H new ATOM 0 HZ1 LYS A 70 16.579 -6.849 3.979 1.00 2.51 H new ATOM 0 HZ2 LYS A 70 16.343 -8.520 3.800 1.00 2.51 H new ATOM 0 HZ3 LYS A 70 16.187 -7.492 2.457 1.00 2.51 H new ATOM 1150 N CYS A 71 9.535 -6.831 3.660 1.00 23.23 N ATOM 1151 CA CYS A 71 9.147 -5.442 3.430 1.00 51.52 C ATOM 1152 C CYS A 71 10.396 -4.539 3.370 1.00 61.02 C ATOM 1153 O CYS A 71 11.046 -4.292 4.396 1.00 24.21 O ATOM 1154 CB CYS A 71 8.222 -4.982 4.559 1.00 14.51 C ATOM 1155 SG CYS A 71 7.003 -6.223 5.051 1.00 74.03 S ATOM 0 H CYS A 71 10.032 -6.975 4.539 1.00 23.23 H new ATOM 0 HA CYS A 71 8.623 -5.370 2.477 1.00 51.52 H new ATOM 0 HB2 CYS A 71 8.826 -4.715 5.426 1.00 14.51 H new ATOM 0 HB3 CYS A 71 7.700 -4.078 4.244 1.00 14.51 H new ATOM 0 HG CYS A 71 7.600 -7.359 5.260 1.00 74.03 H new ATOM 1161 N THR A 72 10.740 -4.098 2.160 1.00 13.21 N ATOM 1162 CA THR A 72 11.625 -2.934 1.927 1.00 21.22 C ATOM 1163 C THR A 72 10.872 -1.679 2.393 1.00 65.23 C ATOM 1164 O THR A 72 9.660 -1.702 2.437 1.00 45.54 O ATOM 1165 CB THR A 72 11.982 -2.826 0.395 1.00 25.41 C ATOM 1166 OG1 THR A 72 12.796 -3.939 0.009 1.00 23.03 O ATOM 1167 CG2 THR A 72 12.682 -1.510 -0.013 1.00 10.22 C ATOM 0 H THR A 72 10.414 -4.537 1.299 1.00 13.21 H new ATOM 0 HA THR A 72 12.558 -3.042 2.480 1.00 21.22 H new ATOM 0 HB THR A 72 11.027 -2.833 -0.131 1.00 25.41 H new ATOM 0 HG1 THR A 72 13.014 -3.870 -0.944 1.00 23.03 H new ATOM 0 HG21 THR A 72 12.889 -1.525 -1.083 1.00 10.22 H new ATOM 0 HG22 THR A 72 12.033 -0.666 0.220 1.00 10.22 H new ATOM 0 HG23 THR A 72 13.618 -1.410 0.536 1.00 10.22 H new ATOM 1175 N TYR A 73 11.565 -0.611 2.774 1.00 25.44 N ATOM 1176 CA TYR A 73 10.932 0.663 3.101 1.00 1.13 C ATOM 1177 C TYR A 73 11.481 1.736 2.179 1.00 43.30 C ATOM 1178 O TYR A 73 12.589 1.609 1.660 1.00 63.10 O ATOM 1179 CB TYR A 73 11.139 1.040 4.577 1.00 64.54 C ATOM 1180 CG TYR A 73 10.619 -0.006 5.560 1.00 41.30 C ATOM 1181 CD1 TYR A 73 9.254 -0.149 5.773 1.00 75.21 C ATOM 1182 CD2 TYR A 73 11.481 -0.845 6.270 1.00 65.23 C ATOM 1183 CE1 TYR A 73 8.759 -1.088 6.655 1.00 43.24 C ATOM 1184 CE2 TYR A 73 10.991 -1.786 7.151 1.00 41.23 C ATOM 1185 CZ TYR A 73 9.636 -1.903 7.343 1.00 24.22 C ATOM 1186 OH TYR A 73 9.153 -2.836 8.230 1.00 61.30 O ATOM 0 H TYR A 73 12.581 -0.604 2.865 1.00 25.44 H new ATOM 0 HA TYR A 73 9.856 0.571 2.952 1.00 1.13 H new ATOM 0 HB2 TYR A 73 12.203 1.196 4.756 1.00 64.54 H new ATOM 0 HB3 TYR A 73 10.640 1.989 4.773 1.00 64.54 H new ATOM 0 HD1 TYR A 73 8.566 0.488 5.237 1.00 75.21 H new ATOM 0 HD2 TYR A 73 12.548 -0.755 6.127 1.00 65.23 H new ATOM 0 HE1 TYR A 73 7.694 -1.185 6.806 1.00 43.24 H new ATOM 0 HE2 TYR A 73 11.671 -2.430 7.689 1.00 41.23 H new ATOM 0 HH TYR A 73 9.629 -2.754 9.083 1.00 61.30 H new ATOM 1196 N LEU A 74 10.675 2.778 1.971 1.00 63.30 N ATOM 1197 CA LEU A 74 10.928 3.823 0.966 1.00 1.21 C ATOM 1198 C LEU A 74 10.613 5.182 1.585 1.00 41.51 C ATOM 1199 O LEU A 74 10.043 5.261 2.678 1.00 44.15 O ATOM 1200 CB LEU A 74 10.042 3.595 -0.296 1.00 22.42 C ATOM 1201 CG LEU A 74 10.022 2.144 -0.859 1.00 72.31 C ATOM 1202 CD1 LEU A 74 8.937 1.955 -1.905 1.00 44.43 C ATOM 1203 CD2 LEU A 74 11.385 1.730 -1.428 1.00 55.41 C ATOM 0 H LEU A 74 9.816 2.926 2.500 1.00 63.30 H new ATOM 0 HA LEU A 74 11.973 3.785 0.658 1.00 1.21 H new ATOM 0 HB2 LEU A 74 9.019 3.885 -0.055 1.00 22.42 H new ATOM 0 HB3 LEU A 74 10.386 4.265 -1.084 1.00 22.42 H new ATOM 0 HG LEU A 74 9.796 1.493 -0.014 1.00 72.31 H new ATOM 0 HD11 LEU A 74 8.959 0.928 -2.271 1.00 44.43 H new ATOM 0 HD12 LEU A 74 7.963 2.161 -1.461 1.00 44.43 H new ATOM 0 HD13 LEU A 74 9.109 2.640 -2.735 1.00 44.43 H new ATOM 0 HD21 LEU A 74 11.325 0.711 -1.810 1.00 55.41 H new ATOM 0 HD22 LEU A 74 11.662 2.405 -2.238 1.00 55.41 H new ATOM 0 HD23 LEU A 74 12.138 1.779 -0.641 1.00 55.41 H new ATOM 1215 N GLY A 75 11.000 6.246 0.895 1.00 22.42 N ATOM 1216 CA GLY A 75 10.713 7.586 1.345 1.00 62.31 C ATOM 1217 C GLY A 75 10.598 8.532 0.185 1.00 14.02 C ATOM 1218 O GLY A 75 11.019 8.218 -0.923 1.00 63.23 O ATOM 0 H GLY A 75 11.516 6.198 0.017 1.00 22.42 H new ATOM 0 HA2 GLY A 75 9.784 7.590 1.915 1.00 62.31 H new ATOM 0 HA3 GLY A 75 11.502 7.924 2.017 1.00 62.31 H new ATOM 1222 N GLN A 76 10.029 9.708 0.452 1.00 23.42 N ATOM 1223 CA GLN A 76 9.813 10.764 -0.553 1.00 25.20 C ATOM 1224 C GLN A 76 9.756 12.132 0.150 1.00 33.03 C ATOM 1225 O GLN A 76 9.455 12.220 1.337 1.00 34.14 O ATOM 1226 CB GLN A 76 8.491 10.516 -1.406 1.00 61.22 C ATOM 1227 CG GLN A 76 7.589 9.335 -0.939 1.00 22.05 C ATOM 1228 CD GLN A 76 6.223 9.256 -1.631 1.00 64.22 C ATOM 1229 OE1 GLN A 76 5.218 8.759 -0.911 1.00 13.11 O flip ATOM 1230 NE2 GLN A 76 6.063 9.641 -2.790 1.00 22.30 N flip ATOM 0 H GLN A 76 9.699 9.963 1.383 1.00 23.42 H new ATOM 0 HA GLN A 76 10.649 10.745 -1.253 1.00 25.20 H new ATOM 0 HB2 GLN A 76 7.896 11.429 -1.391 1.00 61.22 H new ATOM 0 HB3 GLN A 76 8.779 10.340 -2.442 1.00 61.22 H new ATOM 0 HG2 GLN A 76 8.122 8.400 -1.110 1.00 22.05 H new ATOM 0 HG3 GLN A 76 7.431 9.420 0.136 1.00 22.05 H new ATOM 0 HE21 GLN A 76 6.852 10.017 -3.316 1.00 22.30 H new ATOM 0 HE22 GLN A 76 5.142 9.584 -3.224 1.00 22.30 H new ATOM 1239 N ILE A 77 10.110 13.192 -0.583 1.00 53.54 N ATOM 1240 CA ILE A 77 9.726 14.576 -0.234 1.00 25.12 C ATOM 1241 C ILE A 77 8.990 15.137 -1.456 1.00 11.12 C ATOM 1242 O ILE A 77 9.548 15.145 -2.557 1.00 31.43 O ATOM 1243 CB ILE A 77 10.935 15.524 0.164 1.00 14.33 C ATOM 1244 CG1 ILE A 77 11.790 14.942 1.347 1.00 2.41 C ATOM 1245 CG2 ILE A 77 10.429 16.945 0.525 1.00 55.43 C ATOM 1246 CD1 ILE A 77 12.904 14.012 0.928 1.00 63.41 C ATOM 0 H ILE A 77 10.669 13.122 -1.433 1.00 53.54 H new ATOM 0 HA ILE A 77 9.106 14.545 0.662 1.00 25.12 H new ATOM 0 HB ILE A 77 11.582 15.585 -0.711 1.00 14.33 H new ATOM 0 HG12 ILE A 77 12.220 15.772 1.908 1.00 2.41 H new ATOM 0 HG13 ILE A 77 11.127 14.408 2.027 1.00 2.41 H new ATOM 0 HG21 ILE A 77 11.276 17.576 0.794 1.00 55.43 H new ATOM 0 HG22 ILE A 77 9.914 17.377 -0.333 1.00 55.43 H new ATOM 0 HG23 ILE A 77 9.741 16.883 1.368 1.00 55.43 H new ATOM 0 HD11 ILE A 77 13.437 13.662 1.812 1.00 63.41 H new ATOM 0 HD12 ILE A 77 12.484 13.159 0.395 1.00 63.41 H new ATOM 0 HD13 ILE A 77 13.595 14.544 0.274 1.00 63.41 H new ATOM 1258 N LYS A 78 7.746 15.580 -1.256 1.00 41.22 N ATOM 1259 CA LYS A 78 6.852 15.997 -2.358 1.00 13.21 C ATOM 1260 C LYS A 78 7.302 17.384 -2.865 1.00 54.40 C ATOM 1261 O LYS A 78 7.453 17.604 -4.069 1.00 53.33 O ATOM 1262 CB LYS A 78 5.371 15.979 -1.843 1.00 51.04 C ATOM 1263 CG LYS A 78 4.235 15.932 -2.913 1.00 62.11 C ATOM 1264 CD LYS A 78 4.021 17.256 -3.692 1.00 24.13 C ATOM 1265 CE LYS A 78 3.624 18.430 -2.780 1.00 3.23 C ATOM 1266 NZ LYS A 78 3.453 19.701 -3.532 1.00 13.43 N ATOM 0 H LYS A 78 7.324 15.662 -0.331 1.00 41.22 H new ATOM 0 HA LYS A 78 6.907 15.311 -3.203 1.00 13.21 H new ATOM 0 HB2 LYS A 78 5.253 15.115 -1.189 1.00 51.04 H new ATOM 0 HB3 LYS A 78 5.218 16.866 -1.229 1.00 51.04 H new ATOM 0 HG2 LYS A 78 4.460 15.139 -3.626 1.00 62.11 H new ATOM 0 HG3 LYS A 78 3.301 15.662 -2.420 1.00 62.11 H new ATOM 0 HD2 LYS A 78 4.937 17.510 -4.225 1.00 24.13 H new ATOM 0 HD3 LYS A 78 3.246 17.108 -4.444 1.00 24.13 H new ATOM 0 HE2 LYS A 78 2.694 18.188 -2.265 1.00 3.23 H new ATOM 0 HE3 LYS A 78 4.387 18.565 -2.013 1.00 3.23 H new ATOM 0 HZ1 LYS A 78 3.253 20.474 -2.866 1.00 13.43 H new ATOM 0 HZ2 LYS A 78 4.325 19.914 -4.057 1.00 13.43 H new ATOM 0 HZ3 LYS A 78 2.661 19.606 -4.200 1.00 13.43 H new ATOM 1280 N ASP A 79 7.522 18.297 -1.915 1.00 1.13 N ATOM 1281 CA ASP A 79 8.032 19.659 -2.178 1.00 13.14 C ATOM 1282 C ASP A 79 8.851 20.111 -0.966 1.00 24.13 C ATOM 1283 O ASP A 79 10.026 20.476 -1.084 1.00 65.15 O ATOM 1284 CB ASP A 79 6.863 20.648 -2.440 1.00 62.12 C ATOM 1285 CG ASP A 79 7.316 22.114 -2.606 1.00 20.54 C ATOM 1286 OD1 ASP A 79 7.783 22.483 -3.703 1.00 10.11 O ATOM 1287 OD2 ASP A 79 7.201 22.903 -1.642 1.00 54.51 O ATOM 0 H ASP A 79 7.351 18.115 -0.926 1.00 1.13 H new ATOM 0 HA ASP A 79 8.659 19.648 -3.070 1.00 13.14 H new ATOM 0 HB2 ASP A 79 6.331 20.337 -3.339 1.00 62.12 H new ATOM 0 HB3 ASP A 79 6.155 20.587 -1.613 1.00 62.12 H new ATOM 1292 N ASN A 80 8.194 20.078 0.199 1.00 11.21 N ATOM 1293 CA ASN A 80 8.810 20.395 1.497 1.00 73.33 C ATOM 1294 C ASN A 80 8.278 19.458 2.586 1.00 25.15 C ATOM 1295 O ASN A 80 8.718 19.515 3.734 1.00 1.33 O ATOM 1296 CB ASN A 80 8.555 21.870 1.875 1.00 52.22 C ATOM 1297 CG ASN A 80 7.087 22.194 2.125 1.00 54.34 C ATOM 1298 OD1 ASN A 80 6.185 21.659 1.479 1.00 22.10 O ATOM 1299 ND2 ASN A 80 6.833 23.059 3.081 1.00 32.41 N ATOM 0 H ASN A 80 7.208 19.828 0.270 1.00 11.21 H new ATOM 0 HA ASN A 80 9.887 20.247 1.412 1.00 73.33 H new ATOM 0 HB2 ASN A 80 9.128 22.111 2.770 1.00 52.22 H new ATOM 0 HB3 ASN A 80 8.928 22.510 1.076 1.00 52.22 H new ATOM 0 HD21 ASN A 80 5.868 23.303 3.305 1.00 32.41 H new ATOM 0 HD22 ASN A 80 7.601 23.486 3.599 1.00 32.41 H new ATOM 1306 N LYS A 81 7.317 18.602 2.214 1.00 22.55 N ATOM 1307 CA LYS A 81 6.691 17.633 3.126 1.00 52.24 C ATOM 1308 C LYS A 81 7.304 16.257 2.879 1.00 2.03 C ATOM 1309 O LYS A 81 7.532 15.882 1.727 1.00 43.25 O ATOM 1310 CB LYS A 81 5.153 17.596 2.891 1.00 40.22 C ATOM 1311 CG LYS A 81 4.286 17.726 4.153 1.00 72.12 C ATOM 1312 CD LYS A 81 4.355 16.477 5.066 1.00 53.25 C ATOM 1313 CE LYS A 81 3.516 16.614 6.343 1.00 12.10 C ATOM 1314 NZ LYS A 81 3.563 15.362 7.139 1.00 13.11 N ATOM 0 H LYS A 81 6.948 18.562 1.264 1.00 22.55 H new ATOM 0 HA LYS A 81 6.869 17.928 4.160 1.00 52.24 H new ATOM 0 HB2 LYS A 81 4.889 18.401 2.206 1.00 40.22 H new ATOM 0 HB3 LYS A 81 4.902 16.659 2.394 1.00 40.22 H new ATOM 0 HG2 LYS A 81 4.606 18.601 4.719 1.00 72.12 H new ATOM 0 HG3 LYS A 81 3.250 17.898 3.860 1.00 72.12 H new ATOM 0 HD2 LYS A 81 4.013 15.607 4.506 1.00 53.25 H new ATOM 0 HD3 LYS A 81 5.394 16.292 5.340 1.00 53.25 H new ATOM 0 HE2 LYS A 81 3.889 17.445 6.941 1.00 12.10 H new ATOM 0 HE3 LYS A 81 2.483 16.847 6.082 1.00 12.10 H new ATOM 0 HZ1 LYS A 81 2.861 15.411 7.905 1.00 13.11 H new ATOM 0 HZ2 LYS A 81 3.348 14.551 6.524 1.00 13.11 H new ATOM 0 HZ3 LYS A 81 4.513 15.245 7.546 1.00 13.11 H new ATOM 1328 N LYS A 82 7.501 15.497 3.954 1.00 24.44 N ATOM 1329 CA LYS A 82 8.153 14.181 3.900 1.00 41.32 C ATOM 1330 C LYS A 82 7.104 13.076 4.014 1.00 52.54 C ATOM 1331 O LYS A 82 6.120 13.203 4.752 1.00 21.13 O ATOM 1332 CB LYS A 82 9.234 14.032 5.001 1.00 72.14 C ATOM 1333 CG LYS A 82 10.343 15.102 4.924 1.00 32.04 C ATOM 1334 CD LYS A 82 11.555 14.772 5.818 1.00 22.02 C ATOM 1335 CE LYS A 82 12.611 15.883 5.827 1.00 24.43 C ATOM 1336 NZ LYS A 82 13.743 15.572 6.739 1.00 5.22 N ATOM 0 H LYS A 82 7.214 15.773 4.893 1.00 24.44 H new ATOM 0 HA LYS A 82 8.659 14.092 2.939 1.00 41.32 H new ATOM 0 HB2 LYS A 82 8.755 14.086 5.979 1.00 72.14 H new ATOM 0 HB3 LYS A 82 9.687 13.044 4.922 1.00 72.14 H new ATOM 0 HG2 LYS A 82 10.676 15.200 3.891 1.00 32.04 H new ATOM 0 HG3 LYS A 82 9.931 16.067 5.219 1.00 32.04 H new ATOM 0 HD2 LYS A 82 11.211 14.597 6.837 1.00 22.02 H new ATOM 0 HD3 LYS A 82 12.013 13.845 5.472 1.00 22.02 H new ATOM 0 HE2 LYS A 82 12.991 16.030 4.816 1.00 24.43 H new ATOM 0 HE3 LYS A 82 12.147 16.821 6.133 1.00 24.43 H new ATOM 0 HZ1 LYS A 82 14.601 16.056 6.405 1.00 5.22 H new ATOM 0 HZ2 LYS A 82 13.514 15.897 7.700 1.00 5.22 H new ATOM 0 HZ3 LYS A 82 13.907 14.545 6.751 1.00 5.22 H new ATOM 1350 N TYR A 83 7.350 11.998 3.271 1.00 55.13 N ATOM 1351 CA TYR A 83 6.436 10.858 3.104 1.00 15.03 C ATOM 1352 C TYR A 83 7.237 9.544 3.199 1.00 63.42 C ATOM 1353 O TYR A 83 8.430 9.514 2.871 1.00 70.13 O ATOM 1354 CB TYR A 83 5.717 10.948 1.726 1.00 63.22 C ATOM 1355 CG TYR A 83 4.713 12.105 1.602 1.00 2.20 C ATOM 1356 CD1 TYR A 83 5.123 13.411 1.311 1.00 50.01 C ATOM 1357 CD2 TYR A 83 3.358 11.894 1.805 1.00 10.32 C ATOM 1358 CE1 TYR A 83 4.210 14.440 1.238 1.00 42.25 C ATOM 1359 CE2 TYR A 83 2.452 12.918 1.727 1.00 12.51 C ATOM 1360 CZ TYR A 83 2.873 14.185 1.448 1.00 0.13 C ATOM 1361 OH TYR A 83 1.954 15.210 1.391 1.00 75.44 O ATOM 0 H TYR A 83 8.219 11.886 2.749 1.00 55.13 H new ATOM 0 HA TYR A 83 5.683 10.879 3.891 1.00 15.03 H new ATOM 0 HB2 TYR A 83 6.470 11.052 0.945 1.00 63.22 H new ATOM 0 HB3 TYR A 83 5.194 10.009 1.542 1.00 63.22 H new ATOM 0 HD1 TYR A 83 6.170 13.615 1.141 1.00 50.01 H new ATOM 0 HD2 TYR A 83 3.008 10.897 2.030 1.00 10.32 H new ATOM 0 HE1 TYR A 83 4.542 15.444 1.017 1.00 42.25 H new ATOM 0 HE2 TYR A 83 1.402 12.722 1.887 1.00 12.51 H new ATOM 0 HH TYR A 83 1.057 14.855 1.562 1.00 75.44 H new ATOM 1371 N GLY A 84 6.570 8.471 3.657 1.00 11.55 N ATOM 1372 CA GLY A 84 7.171 7.134 3.757 1.00 21.01 C ATOM 1373 C GLY A 84 6.676 6.200 2.656 1.00 13.44 C ATOM 1374 O GLY A 84 5.770 6.561 1.888 1.00 62.04 O ATOM 0 H GLY A 84 5.599 8.508 3.968 1.00 11.55 H new ATOM 0 HA2 GLY A 84 8.256 7.219 3.699 1.00 21.01 H new ATOM 0 HA3 GLY A 84 6.936 6.703 4.730 1.00 21.01 H new ATOM 1378 N GLY A 85 7.275 5.000 2.592 1.00 42.23 N ATOM 1379 CA GLY A 85 6.925 3.972 1.615 1.00 53.23 C ATOM 1380 C GLY A 85 7.350 2.589 2.089 1.00 60.15 C ATOM 1381 O GLY A 85 7.926 2.452 3.173 1.00 40.24 O ATOM 0 H GLY A 85 8.023 4.719 3.226 1.00 42.23 H new ATOM 0 HA2 GLY A 85 5.849 3.984 1.441 1.00 53.23 H new ATOM 0 HA3 GLY A 85 7.404 4.195 0.662 1.00 53.23 H new ATOM 1385 N VAL A 86 7.096 1.576 1.243 1.00 75.24 N ATOM 1386 CA VAL A 86 7.378 0.161 1.547 1.00 3.42 C ATOM 1387 C VAL A 86 7.196 -0.695 0.276 1.00 34.23 C ATOM 1388 O VAL A 86 6.326 -0.405 -0.529 1.00 22.33 O ATOM 1389 CB VAL A 86 6.432 -0.362 2.700 1.00 61.25 C ATOM 1390 CG1 VAL A 86 4.958 -0.181 2.322 1.00 63.32 C ATOM 1391 CG2 VAL A 86 6.704 -1.825 3.107 1.00 32.23 C ATOM 0 H VAL A 86 6.685 1.717 0.320 1.00 75.24 H new ATOM 0 HA VAL A 86 8.410 0.077 1.888 1.00 3.42 H new ATOM 0 HB VAL A 86 6.661 0.250 3.573 1.00 61.25 H new ATOM 0 HG11 VAL A 86 4.327 -0.548 3.131 1.00 63.32 H new ATOM 0 HG12 VAL A 86 4.753 0.876 2.153 1.00 63.32 H new ATOM 0 HG13 VAL A 86 4.744 -0.742 1.412 1.00 63.32 H new ATOM 0 HG21 VAL A 86 6.018 -2.115 3.903 1.00 32.23 H new ATOM 0 HG22 VAL A 86 6.556 -2.476 2.245 1.00 32.23 H new ATOM 0 HG23 VAL A 86 7.731 -1.919 3.461 1.00 32.23 H new ATOM 1401 N ILE A 87 8.055 -1.705 0.078 1.00 74.23 N ATOM 1402 CA ILE A 87 7.843 -2.773 -0.915 1.00 53.03 C ATOM 1403 C ILE A 87 7.665 -4.067 -0.134 1.00 41.45 C ATOM 1404 O ILE A 87 8.636 -4.752 0.205 1.00 43.43 O ATOM 1405 CB ILE A 87 9.018 -2.898 -1.959 1.00 23.11 C ATOM 1406 CG1 ILE A 87 9.135 -1.590 -2.791 1.00 41.35 C ATOM 1407 CG2 ILE A 87 8.816 -4.128 -2.892 1.00 5.42 C ATOM 1408 CD1 ILE A 87 10.395 -1.457 -3.632 1.00 12.45 C ATOM 0 H ILE A 87 8.923 -1.806 0.605 1.00 74.23 H new ATOM 0 HA ILE A 87 6.963 -2.539 -1.514 1.00 53.03 H new ATOM 0 HB ILE A 87 9.947 -3.050 -1.410 1.00 23.11 H new ATOM 0 HG12 ILE A 87 8.270 -1.522 -3.451 1.00 41.35 H new ATOM 0 HG13 ILE A 87 9.083 -0.741 -2.109 1.00 41.35 H new ATOM 0 HG21 ILE A 87 9.642 -4.187 -3.600 1.00 5.42 H new ATOM 0 HG22 ILE A 87 8.786 -5.038 -2.293 1.00 5.42 H new ATOM 0 HG23 ILE A 87 7.878 -4.021 -3.437 1.00 5.42 H new ATOM 0 HD11 ILE A 87 10.374 -0.510 -4.171 1.00 12.45 H new ATOM 0 HD12 ILE A 87 11.270 -1.487 -2.983 1.00 12.45 H new ATOM 0 HD13 ILE A 87 10.445 -2.279 -4.346 1.00 12.45 H new ATOM 1420 N ILE A 88 6.415 -4.334 0.228 1.00 65.11 N ATOM 1421 CA ILE A 88 6.032 -5.511 1.002 1.00 71.12 C ATOM 1422 C ILE A 88 5.410 -6.549 0.068 1.00 73.35 C ATOM 1423 O ILE A 88 4.334 -6.339 -0.499 1.00 50.32 O ATOM 1424 CB ILE A 88 5.052 -5.144 2.182 1.00 10.04 C ATOM 1425 CG1 ILE A 88 4.503 -6.434 2.868 1.00 43.21 C ATOM 1426 CG2 ILE A 88 3.905 -4.216 1.718 1.00 60.24 C ATOM 1427 CD1 ILE A 88 3.654 -6.184 4.090 1.00 13.22 C ATOM 0 H ILE A 88 5.628 -3.731 -0.011 1.00 65.11 H new ATOM 0 HA ILE A 88 6.927 -5.931 1.461 1.00 71.12 H new ATOM 0 HB ILE A 88 5.626 -4.586 2.922 1.00 10.04 H new ATOM 0 HG12 ILE A 88 3.914 -6.993 2.141 1.00 43.21 H new ATOM 0 HG13 ILE A 88 5.345 -7.066 3.150 1.00 43.21 H new ATOM 0 HG21 ILE A 88 3.255 -3.990 2.564 1.00 60.24 H new ATOM 0 HG22 ILE A 88 4.323 -3.290 1.324 1.00 60.24 H new ATOM 0 HG23 ILE A 88 3.327 -4.713 0.939 1.00 60.24 H new ATOM 0 HD11 ILE A 88 3.317 -7.136 4.500 1.00 13.22 H new ATOM 0 HD12 ILE A 88 4.242 -5.654 4.839 1.00 13.22 H new ATOM 0 HD13 ILE A 88 2.789 -5.581 3.815 1.00 13.22 H new ATOM 1439 N VAL A 89 6.125 -7.655 -0.133 1.00 74.21 N ATOM 1440 CA VAL A 89 5.603 -8.792 -0.884 1.00 15.34 C ATOM 1441 C VAL A 89 4.663 -9.625 -0.009 1.00 1.45 C ATOM 1442 O VAL A 89 4.731 -9.584 1.219 1.00 31.43 O ATOM 1443 CB VAL A 89 6.750 -9.654 -1.510 1.00 0.34 C ATOM 1444 CG1 VAL A 89 7.726 -10.152 -0.485 1.00 73.45 C ATOM 1445 CG2 VAL A 89 6.236 -10.796 -2.421 1.00 21.51 C ATOM 0 H VAL A 89 7.074 -7.786 0.217 1.00 74.21 H new ATOM 0 HA VAL A 89 5.022 -8.407 -1.722 1.00 15.34 H new ATOM 0 HB VAL A 89 7.295 -8.971 -2.161 1.00 0.34 H new ATOM 0 HG11 VAL A 89 8.499 -10.743 -0.976 1.00 73.45 H new ATOM 0 HG12 VAL A 89 8.185 -9.304 0.022 1.00 73.45 H new ATOM 0 HG13 VAL A 89 7.204 -10.771 0.244 1.00 73.45 H new ATOM 0 HG21 VAL A 89 7.084 -11.352 -2.821 1.00 21.51 H new ATOM 0 HG22 VAL A 89 5.603 -11.467 -1.841 1.00 21.51 H new ATOM 0 HG23 VAL A 89 5.659 -10.373 -3.244 1.00 21.51 H new ATOM 1455 N VAL A 90 3.751 -10.317 -0.677 1.00 65.31 N ATOM 1456 CA VAL A 90 2.793 -11.242 -0.093 1.00 75.03 C ATOM 1457 C VAL A 90 2.912 -12.580 -0.819 1.00 71.33 C ATOM 1458 O VAL A 90 3.033 -12.600 -2.039 1.00 2.22 O ATOM 1459 CB VAL A 90 1.333 -10.681 -0.249 1.00 63.42 C ATOM 1460 CG1 VAL A 90 1.109 -10.156 -1.646 1.00 43.32 C ATOM 1461 CG2 VAL A 90 0.251 -11.716 0.129 1.00 4.43 C ATOM 0 H VAL A 90 3.655 -10.244 -1.690 1.00 65.31 H new ATOM 0 HA VAL A 90 3.002 -11.369 0.969 1.00 75.03 H new ATOM 0 HB VAL A 90 1.236 -9.856 0.457 1.00 63.42 H new ATOM 0 HG11 VAL A 90 0.092 -9.773 -1.732 1.00 43.32 H new ATOM 0 HG12 VAL A 90 1.818 -9.354 -1.851 1.00 43.32 H new ATOM 0 HG13 VAL A 90 1.255 -10.962 -2.365 1.00 43.32 H new ATOM 0 HG21 VAL A 90 -0.737 -11.273 0.002 1.00 4.43 H new ATOM 0 HG22 VAL A 90 0.342 -12.590 -0.516 1.00 4.43 H new ATOM 0 HG23 VAL A 90 0.383 -12.017 1.168 1.00 4.43 H new ATOM 1471 N LYS A 91 2.927 -13.678 -0.074 1.00 71.32 N ATOM 1472 CA LYS A 91 2.834 -14.999 -0.627 1.00 34.34 C ATOM 1473 C LYS A 91 1.372 -15.472 -0.603 1.00 63.44 C ATOM 1474 O LYS A 91 0.802 -15.760 0.458 1.00 61.31 O ATOM 1475 CB LYS A 91 3.768 -15.921 0.166 1.00 34.04 C ATOM 1476 CG LYS A 91 3.778 -17.377 -0.311 1.00 20.35 C ATOM 1477 CD LYS A 91 4.895 -18.217 0.344 1.00 34.21 C ATOM 1478 CE LYS A 91 6.308 -17.695 0.003 1.00 11.05 C ATOM 1479 NZ LYS A 91 6.538 -17.601 -1.468 1.00 54.31 N ATOM 0 H LYS A 91 3.005 -13.663 0.943 1.00 71.32 H new ATOM 0 HA LYS A 91 3.149 -15.012 -1.670 1.00 34.34 H new ATOM 0 HB2 LYS A 91 4.782 -15.526 0.109 1.00 34.04 H new ATOM 0 HB3 LYS A 91 3.476 -15.898 1.216 1.00 34.04 H new ATOM 0 HG2 LYS A 91 2.812 -17.832 -0.092 1.00 20.35 H new ATOM 0 HG3 LYS A 91 3.902 -17.398 -1.394 1.00 20.35 H new ATOM 0 HD2 LYS A 91 4.761 -18.212 1.426 1.00 34.21 H new ATOM 0 HD3 LYS A 91 4.805 -19.253 0.016 1.00 34.21 H new ATOM 0 HE2 LYS A 91 6.448 -16.713 0.454 1.00 11.05 H new ATOM 0 HE3 LYS A 91 7.053 -18.357 0.443 1.00 11.05 H new ATOM 0 HZ1 LYS A 91 7.541 -17.394 -1.650 1.00 54.31 H new ATOM 0 HZ2 LYS A 91 6.283 -18.504 -1.918 1.00 54.31 H new ATOM 0 HZ3 LYS A 91 5.950 -16.839 -1.863 1.00 54.31 H new ATOM 1493 N TYR A 92 0.752 -15.435 -1.784 1.00 22.30 N ATOM 1494 CA TYR A 92 -0.546 -16.072 -2.052 1.00 3.34 C ATOM 1495 C TYR A 92 -0.331 -17.560 -2.413 1.00 1.44 C ATOM 1496 O TYR A 92 0.812 -18.040 -2.433 1.00 5.35 O ATOM 1497 CB TYR A 92 -1.263 -15.358 -3.220 1.00 72.32 C ATOM 1498 CG TYR A 92 -1.747 -13.930 -2.950 1.00 54.32 C ATOM 1499 CD1 TYR A 92 -3.008 -13.687 -2.408 1.00 54.14 C ATOM 1500 CD2 TYR A 92 -0.966 -12.832 -3.267 1.00 61.11 C ATOM 1501 CE1 TYR A 92 -3.460 -12.408 -2.191 1.00 4.53 C ATOM 1502 CE2 TYR A 92 -1.422 -11.555 -3.047 1.00 3.44 C ATOM 1503 CZ TYR A 92 -2.653 -11.344 -2.511 1.00 14.21 C ATOM 1504 OH TYR A 92 -3.079 -10.050 -2.305 1.00 70.03 O ATOM 0 H TYR A 92 1.141 -14.955 -2.596 1.00 22.30 H new ATOM 0 HA TYR A 92 -1.164 -15.998 -1.157 1.00 3.34 H new ATOM 0 HB2 TYR A 92 -0.585 -15.334 -4.073 1.00 72.32 H new ATOM 0 HB3 TYR A 92 -2.123 -15.961 -3.513 1.00 72.32 H new ATOM 0 HD1 TYR A 92 -3.643 -14.522 -2.153 1.00 54.14 H new ATOM 0 HD2 TYR A 92 0.015 -12.981 -3.693 1.00 61.11 H new ATOM 0 HE1 TYR A 92 -4.441 -12.241 -1.772 1.00 4.53 H new ATOM 0 HE2 TYR A 92 -0.797 -10.712 -3.302 1.00 3.44 H new ATOM 0 HH TYR A 92 -2.539 -9.438 -2.847 1.00 70.03 H new ATOM 1514 N GLU A 93 -1.439 -18.272 -2.711 1.00 32.43 N ATOM 1515 CA GLU A 93 -1.434 -19.688 -3.133 1.00 61.54 C ATOM 1516 C GLU A 93 -0.537 -19.933 -4.375 1.00 5.31 C ATOM 1517 O GLU A 93 0.288 -20.847 -4.387 1.00 20.05 O ATOM 1518 CB GLU A 93 -2.887 -20.116 -3.480 1.00 63.14 C ATOM 1519 CG GLU A 93 -3.021 -21.594 -3.882 1.00 63.54 C ATOM 1520 CD GLU A 93 -4.412 -21.964 -4.416 1.00 32.23 C ATOM 1521 OE1 GLU A 93 -4.653 -21.810 -5.632 1.00 74.31 O ATOM 1522 OE2 GLU A 93 -5.278 -22.389 -3.625 1.00 15.33 O ATOM 0 H GLU A 93 -2.376 -17.872 -2.664 1.00 32.43 H new ATOM 0 HA GLU A 93 -1.031 -20.275 -2.308 1.00 61.54 H new ATOM 0 HB2 GLU A 93 -3.527 -19.924 -2.619 1.00 63.14 H new ATOM 0 HB3 GLU A 93 -3.254 -19.493 -4.296 1.00 63.14 H new ATOM 0 HG2 GLU A 93 -2.276 -21.823 -4.644 1.00 63.54 H new ATOM 0 HG3 GLU A 93 -2.795 -22.219 -3.018 1.00 63.54 H new ATOM 1529 N GLU A 94 -0.748 -19.100 -5.400 1.00 40.02 N ATOM 1530 CA GLU A 94 -0.174 -19.259 -6.756 1.00 14.51 C ATOM 1531 C GLU A 94 0.957 -18.242 -7.034 1.00 45.42 C ATOM 1532 O GLU A 94 1.956 -18.574 -7.687 1.00 11.54 O ATOM 1533 CB GLU A 94 -1.308 -19.071 -7.803 1.00 60.24 C ATOM 1534 CG GLU A 94 -2.548 -19.957 -7.572 1.00 1.42 C ATOM 1535 CD GLU A 94 -3.689 -19.667 -8.557 1.00 62.25 C ATOM 1536 OE1 GLU A 94 -3.637 -20.149 -9.707 1.00 44.33 O ATOM 1537 OE2 GLU A 94 -4.648 -18.957 -8.185 1.00 50.13 O ATOM 0 H GLU A 94 -1.337 -18.272 -5.315 1.00 40.02 H new ATOM 0 HA GLU A 94 0.260 -20.256 -6.826 1.00 14.51 H new ATOM 0 HB2 GLU A 94 -1.618 -18.026 -7.799 1.00 60.24 H new ATOM 0 HB3 GLU A 94 -0.907 -19.281 -8.795 1.00 60.24 H new ATOM 0 HG2 GLU A 94 -2.259 -21.005 -7.658 1.00 1.42 H new ATOM 0 HG3 GLU A 94 -2.908 -19.808 -6.554 1.00 1.42 H new ATOM 1544 N GLY A 95 0.795 -17.000 -6.532 1.00 64.21 N ATOM 1545 CA GLY A 95 1.692 -15.888 -6.900 1.00 11.04 C ATOM 1546 C GLY A 95 2.160 -15.065 -5.705 1.00 1.21 C ATOM 1547 O GLY A 95 1.742 -15.304 -4.568 1.00 72.13 O ATOM 0 H GLY A 95 0.057 -16.744 -5.876 1.00 64.21 H new ATOM 0 HA2 GLY A 95 2.563 -16.290 -7.418 1.00 11.04 H new ATOM 0 HA3 GLY A 95 1.177 -15.233 -7.603 1.00 11.04 H new ATOM 1551 N ASN A 96 3.048 -14.097 -5.981 1.00 64.21 N ATOM 1552 CA ASN A 96 3.565 -13.137 -4.983 1.00 44.11 C ATOM 1553 C ASN A 96 3.420 -11.728 -5.530 1.00 22.42 C ATOM 1554 O ASN A 96 3.668 -11.504 -6.716 1.00 65.31 O ATOM 1555 CB ASN A 96 5.065 -13.366 -4.672 1.00 4.31 C ATOM 1556 CG ASN A 96 5.403 -14.745 -4.106 1.00 31.35 C ATOM 1557 OD1 ASN A 96 4.619 -15.349 -3.374 1.00 54.21 O ATOM 1558 ND2 ASN A 96 6.576 -15.262 -4.439 1.00 13.32 N ATOM 0 H ASN A 96 3.434 -13.954 -6.914 1.00 64.21 H new ATOM 0 HA ASN A 96 2.991 -13.280 -4.067 1.00 44.11 H new ATOM 0 HB2 ASN A 96 5.638 -13.215 -5.587 1.00 4.31 H new ATOM 0 HB3 ASN A 96 5.393 -12.607 -3.961 1.00 4.31 H new ATOM 0 HD21 ASN A 96 6.847 -16.180 -4.087 1.00 13.32 H new ATOM 0 HD22 ASN A 96 7.208 -14.742 -5.047 1.00 13.32 H new ATOM 1565 N VAL A 97 3.045 -10.765 -4.677 1.00 13.25 N ATOM 1566 CA VAL A 97 2.889 -9.364 -5.109 1.00 4.21 C ATOM 1567 C VAL A 97 3.736 -8.440 -4.219 1.00 40.00 C ATOM 1568 O VAL A 97 3.417 -8.256 -3.044 1.00 62.13 O ATOM 1569 CB VAL A 97 1.394 -8.881 -5.055 1.00 31.53 C ATOM 1570 CG1 VAL A 97 1.214 -7.554 -5.805 1.00 1.32 C ATOM 1571 CG2 VAL A 97 0.415 -9.933 -5.578 1.00 54.21 C ATOM 0 H VAL A 97 2.845 -10.926 -3.690 1.00 13.25 H new ATOM 0 HA VAL A 97 3.225 -9.316 -6.145 1.00 4.21 H new ATOM 0 HB VAL A 97 1.159 -8.722 -4.003 1.00 31.53 H new ATOM 0 HG11 VAL A 97 0.170 -7.244 -5.751 1.00 1.32 H new ATOM 0 HG12 VAL A 97 1.843 -6.790 -5.349 1.00 1.32 H new ATOM 0 HG13 VAL A 97 1.500 -7.684 -6.849 1.00 1.32 H new ATOM 0 HG21 VAL A 97 -0.602 -9.546 -5.517 1.00 54.21 H new ATOM 0 HG22 VAL A 97 0.653 -10.167 -6.616 1.00 54.21 H new ATOM 0 HG23 VAL A 97 0.496 -10.837 -4.974 1.00 54.21 H new ATOM 1581 N ASN A 98 4.799 -7.860 -4.792 1.00 21.14 N ATOM 1582 CA ASN A 98 5.722 -6.947 -4.075 1.00 3.22 C ATOM 1583 C ASN A 98 5.114 -5.531 -4.014 1.00 32.41 C ATOM 1584 O ASN A 98 5.541 -4.638 -4.737 1.00 21.11 O ATOM 1585 CB ASN A 98 7.109 -6.920 -4.779 1.00 51.20 C ATOM 1586 CG ASN A 98 7.833 -8.261 -4.775 1.00 12.54 C ATOM 1587 OD1 ASN A 98 8.682 -8.526 -3.926 1.00 63.52 O ATOM 1588 ND2 ASN A 98 7.492 -9.128 -5.710 1.00 3.42 N ATOM 0 H ASN A 98 5.051 -8.006 -5.770 1.00 21.14 H new ATOM 0 HA ASN A 98 5.864 -7.310 -3.057 1.00 3.22 H new ATOM 0 HB2 ASN A 98 6.975 -6.594 -5.811 1.00 51.20 H new ATOM 0 HB3 ASN A 98 7.739 -6.177 -4.289 1.00 51.20 H new ATOM 0 HD21 ASN A 98 7.936 -10.046 -5.741 1.00 3.42 H new ATOM 0 HD22 ASN A 98 6.784 -8.880 -6.401 1.00 3.42 H new ATOM 1595 N TYR A 99 4.101 -5.361 -3.152 1.00 44.11 N ATOM 1596 CA TYR A 99 3.321 -4.113 -3.033 1.00 42.40 C ATOM 1597 C TYR A 99 4.208 -2.899 -2.658 1.00 1.24 C ATOM 1598 O TYR A 99 4.596 -2.747 -1.495 1.00 71.50 O ATOM 1599 CB TYR A 99 2.224 -4.287 -1.957 1.00 14.25 C ATOM 1600 CG TYR A 99 1.042 -5.170 -2.353 1.00 24.54 C ATOM 1601 CD1 TYR A 99 0.101 -4.733 -3.284 1.00 63.43 C ATOM 1602 CD2 TYR A 99 0.846 -6.413 -1.777 1.00 15.40 C ATOM 1603 CE1 TYR A 99 -0.984 -5.519 -3.620 1.00 74.11 C ATOM 1604 CE2 TYR A 99 -0.231 -7.186 -2.114 1.00 22.15 C ATOM 1605 CZ TYR A 99 -1.136 -6.748 -3.022 1.00 44.14 C ATOM 1606 OH TYR A 99 -2.193 -7.560 -3.335 1.00 33.24 O ATOM 0 H TYR A 99 3.794 -6.092 -2.510 1.00 44.11 H new ATOM 0 HA TYR A 99 2.876 -3.915 -4.008 1.00 42.40 H new ATOM 0 HB2 TYR A 99 2.683 -4.706 -1.061 1.00 14.25 H new ATOM 0 HB3 TYR A 99 1.844 -3.301 -1.689 1.00 14.25 H new ATOM 0 HD1 TYR A 99 0.222 -3.766 -3.749 1.00 63.43 H new ATOM 0 HD2 TYR A 99 1.555 -6.779 -1.049 1.00 15.40 H new ATOM 0 HE1 TYR A 99 -1.706 -5.172 -4.345 1.00 74.11 H new ATOM 0 HE2 TYR A 99 -0.361 -8.154 -1.652 1.00 22.15 H new ATOM 0 HH TYR A 99 -3.024 -7.042 -3.302 1.00 33.24 H new ATOM 1616 N SER A 100 4.529 -2.051 -3.653 1.00 32.50 N ATOM 1617 CA SER A 100 5.225 -0.780 -3.424 1.00 61.13 C ATOM 1618 C SER A 100 4.206 0.303 -2.979 1.00 54.45 C ATOM 1619 O SER A 100 3.706 1.097 -3.780 1.00 3.34 O ATOM 1620 CB SER A 100 6.010 -0.356 -4.681 1.00 3.12 C ATOM 1621 OG SER A 100 6.850 0.754 -4.417 1.00 63.40 O ATOM 0 H SER A 100 4.312 -2.231 -4.633 1.00 32.50 H new ATOM 0 HA SER A 100 5.953 -0.905 -2.622 1.00 61.13 H new ATOM 0 HB2 SER A 100 6.612 -1.193 -5.035 1.00 3.12 H new ATOM 0 HB3 SER A 100 5.312 -0.104 -5.480 1.00 3.12 H new ATOM 0 HG SER A 100 7.335 0.998 -5.233 1.00 63.40 H new ATOM 1627 N LEU A 101 3.878 0.269 -1.686 1.00 33.13 N ATOM 1628 CA LEU A 101 2.906 1.181 -1.037 1.00 41.42 C ATOM 1629 C LEU A 101 3.606 2.440 -0.486 1.00 14.52 C ATOM 1630 O LEU A 101 4.826 2.425 -0.288 1.00 14.13 O ATOM 1631 CB LEU A 101 2.131 0.395 0.075 1.00 0.45 C ATOM 1632 CG LEU A 101 0.746 -0.168 -0.369 1.00 30.31 C ATOM 1633 CD1 LEU A 101 -0.229 0.969 -0.552 1.00 40.13 C ATOM 1634 CD2 LEU A 101 0.849 -1.016 -1.641 1.00 23.34 C ATOM 0 H LEU A 101 4.285 -0.405 -1.037 1.00 33.13 H new ATOM 0 HA LEU A 101 2.185 1.533 -1.775 1.00 41.42 H new ATOM 0 HB2 LEU A 101 2.752 -0.433 0.415 1.00 0.45 H new ATOM 0 HB3 LEU A 101 1.983 1.054 0.930 1.00 0.45 H new ATOM 0 HG LEU A 101 0.382 -0.829 0.417 1.00 30.31 H new ATOM 0 HD11 LEU A 101 -1.196 0.573 -0.862 1.00 40.13 H new ATOM 0 HD12 LEU A 101 -0.342 1.506 0.390 1.00 40.13 H new ATOM 0 HD13 LEU A 101 0.146 1.650 -1.316 1.00 40.13 H new ATOM 0 HD21 LEU A 101 -0.140 -1.387 -1.912 1.00 23.34 H new ATOM 0 HD22 LEU A 101 1.243 -0.406 -2.454 1.00 23.34 H new ATOM 0 HD23 LEU A 101 1.516 -1.859 -1.463 1.00 23.34 H new ATOM 1646 N ALA A 102 2.825 3.529 -0.250 1.00 22.13 N ATOM 1647 CA ALA A 102 3.359 4.817 0.243 1.00 31.23 C ATOM 1648 C ALA A 102 2.247 5.683 0.878 1.00 10.24 C ATOM 1649 O ALA A 102 1.083 5.631 0.478 1.00 2.33 O ATOM 1650 CB ALA A 102 4.076 5.583 -0.881 1.00 24.12 C ATOM 0 H ALA A 102 1.816 3.534 -0.397 1.00 22.13 H new ATOM 0 HA ALA A 102 4.090 4.594 1.021 1.00 31.23 H new ATOM 0 HB1 ALA A 102 4.459 6.526 -0.492 1.00 24.12 H new ATOM 0 HB2 ALA A 102 4.904 4.983 -1.259 1.00 24.12 H new ATOM 0 HB3 ALA A 102 3.374 5.783 -1.690 1.00 24.12 H new ATOM 1656 N TYR A 103 2.652 6.469 1.895 1.00 53.54 N ATOM 1657 CA TYR A 103 1.767 7.261 2.764 1.00 43.14 C ATOM 1658 C TYR A 103 2.533 8.424 3.389 1.00 62.12 C ATOM 1659 O TYR A 103 3.743 8.543 3.224 1.00 30.44 O ATOM 1660 CB TYR A 103 1.113 6.370 3.879 1.00 64.54 C ATOM 1661 CG TYR A 103 1.791 5.029 4.128 1.00 52.43 C ATOM 1662 CD1 TYR A 103 3.140 4.939 4.474 1.00 53.21 C ATOM 1663 CD2 TYR A 103 1.082 3.844 3.949 1.00 22.34 C ATOM 1664 CE1 TYR A 103 3.735 3.717 4.631 1.00 21.45 C ATOM 1665 CE2 TYR A 103 1.676 2.627 4.096 1.00 33.30 C ATOM 1666 CZ TYR A 103 2.996 2.571 4.436 1.00 21.32 C ATOM 1667 OH TYR A 103 3.589 1.356 4.563 1.00 21.44 O ATOM 0 H TYR A 103 3.637 6.572 2.140 1.00 53.54 H new ATOM 0 HA TYR A 103 0.964 7.663 2.146 1.00 43.14 H new ATOM 0 HB2 TYR A 103 1.107 6.933 4.812 1.00 64.54 H new ATOM 0 HB3 TYR A 103 0.073 6.187 3.610 1.00 64.54 H new ATOM 0 HD1 TYR A 103 3.718 5.840 4.619 1.00 53.21 H new ATOM 0 HD2 TYR A 103 0.035 3.891 3.687 1.00 22.34 H new ATOM 0 HE1 TYR A 103 4.777 3.651 4.906 1.00 21.45 H new ATOM 0 HE2 TYR A 103 1.110 1.720 3.946 1.00 33.30 H new ATOM 0 HH TYR A 103 3.145 0.848 5.274 1.00 21.44 H new ATOM 1677 N ASP A 104 1.796 9.281 4.094 1.00 43.02 N ATOM 1678 CA ASP A 104 2.365 10.424 4.830 1.00 24.10 C ATOM 1679 C ASP A 104 2.583 10.072 6.307 1.00 24.04 C ATOM 1680 O ASP A 104 2.330 8.938 6.740 1.00 62.54 O ATOM 1681 CB ASP A 104 1.394 11.638 4.664 1.00 55.40 C ATOM 1682 CG ASP A 104 1.871 12.975 5.272 1.00 2.43 C ATOM 1683 OD1 ASP A 104 3.027 13.364 5.022 1.00 12.32 O ATOM 1684 OD2 ASP A 104 1.122 13.619 6.032 1.00 13.32 O ATOM 0 H ASP A 104 0.782 9.207 4.175 1.00 43.02 H new ATOM 0 HA ASP A 104 3.344 10.683 4.426 1.00 24.10 H new ATOM 0 HB2 ASP A 104 1.213 11.790 3.600 1.00 55.40 H new ATOM 0 HB3 ASP A 104 0.437 11.377 5.116 1.00 55.40 H new ATOM 1689 N GLU A 105 3.083 11.062 7.049 1.00 61.40 N ATOM 1690 CA GLU A 105 3.047 11.090 8.519 1.00 44.21 C ATOM 1691 C GLU A 105 1.576 11.123 9.029 1.00 2.34 C ATOM 1692 O GLU A 105 1.314 10.856 10.207 1.00 53.22 O ATOM 1693 CB GLU A 105 3.802 12.338 9.043 1.00 13.35 C ATOM 1694 CG GLU A 105 5.287 12.389 8.645 1.00 53.51 C ATOM 1695 CD GLU A 105 5.996 13.695 9.030 1.00 0.44 C ATOM 1696 OE1 GLU A 105 6.369 13.843 10.208 1.00 64.35 O ATOM 1697 OE2 GLU A 105 6.169 14.582 8.165 1.00 64.04 O ATOM 0 H GLU A 105 3.533 11.882 6.642 1.00 61.40 H new ATOM 0 HA GLU A 105 3.531 10.188 8.892 1.00 44.21 H new ATOM 0 HB2 GLU A 105 3.306 13.233 8.668 1.00 13.35 H new ATOM 0 HB3 GLU A 105 3.728 12.364 10.130 1.00 13.35 H new ATOM 0 HG2 GLU A 105 5.807 11.554 9.115 1.00 53.51 H new ATOM 0 HG3 GLU A 105 5.368 12.249 7.567 1.00 53.51 H new ATOM 1704 N ASP A 106 0.624 11.483 8.122 1.00 32.21 N ATOM 1705 CA ASP A 106 -0.831 11.430 8.394 1.00 13.44 C ATOM 1706 C ASP A 106 -1.292 9.960 8.456 1.00 34.12 C ATOM 1707 O ASP A 106 -2.290 9.642 9.123 1.00 70.12 O ATOM 1708 CB ASP A 106 -1.598 12.192 7.275 1.00 0.15 C ATOM 1709 CG ASP A 106 -3.106 12.409 7.558 1.00 35.23 C ATOM 1710 OD1 ASP A 106 -3.921 11.475 7.382 1.00 74.54 O ATOM 1711 OD2 ASP A 106 -3.488 13.530 7.949 1.00 2.41 O ATOM 0 H ASP A 106 0.850 11.817 7.185 1.00 32.21 H new ATOM 0 HA ASP A 106 -1.042 11.905 9.352 1.00 13.44 H new ATOM 0 HB2 ASP A 106 -1.126 13.163 7.127 1.00 0.15 H new ATOM 0 HB3 ASP A 106 -1.493 11.641 6.341 1.00 0.15 H new ATOM 1716 N MET A 107 -0.552 9.094 7.702 1.00 64.10 N ATOM 1717 CA MET A 107 -0.717 7.623 7.670 1.00 53.21 C ATOM 1718 C MET A 107 -1.871 7.231 6.708 1.00 3.43 C ATOM 1719 O MET A 107 -2.402 6.114 6.736 1.00 33.33 O ATOM 1720 CB MET A 107 -0.878 7.039 9.111 1.00 14.33 C ATOM 1721 CG MET A 107 -0.695 5.516 9.253 1.00 4.23 C ATOM 1722 SD MET A 107 1.021 4.978 9.548 1.00 65.20 S ATOM 1723 CE MET A 107 1.798 5.116 7.935 1.00 53.55 C ATOM 0 H MET A 107 0.194 9.417 7.086 1.00 64.10 H new ATOM 0 HA MET A 107 0.190 7.169 7.270 1.00 53.21 H new ATOM 0 HB2 MET A 107 -0.157 7.533 9.763 1.00 14.33 H new ATOM 0 HB3 MET A 107 -1.871 7.300 9.477 1.00 14.33 H new ATOM 0 HG2 MET A 107 -1.318 5.164 10.075 1.00 4.23 H new ATOM 0 HG3 MET A 107 -1.062 5.034 8.347 1.00 4.23 H new ATOM 0 HE1 MET A 107 2.463 4.267 7.778 1.00 53.55 H new ATOM 0 HE2 MET A 107 1.031 5.125 7.161 1.00 53.55 H new ATOM 0 HE3 MET A 107 2.373 6.041 7.886 1.00 53.55 H new ATOM 1733 N ASN A 108 -2.221 8.175 5.813 1.00 52.44 N ATOM 1734 CA ASN A 108 -3.155 7.954 4.710 1.00 11.42 C ATOM 1735 C ASN A 108 -2.394 7.504 3.466 1.00 34.40 C ATOM 1736 O ASN A 108 -1.325 8.057 3.182 1.00 0.21 O ATOM 1737 CB ASN A 108 -3.954 9.243 4.388 1.00 73.11 C ATOM 1738 CG ASN A 108 -3.149 10.544 4.302 1.00 51.11 C ATOM 1739 OD1 ASN A 108 -1.941 10.566 4.074 1.00 11.21 O ATOM 1740 ND2 ASN A 108 -3.844 11.661 4.434 1.00 51.44 N ATOM 0 H ASN A 108 -1.852 9.126 5.843 1.00 52.44 H new ATOM 0 HA ASN A 108 -3.857 7.178 5.013 1.00 11.42 H new ATOM 0 HB2 ASN A 108 -4.468 9.097 3.438 1.00 73.11 H new ATOM 0 HB3 ASN A 108 -4.722 9.367 5.151 1.00 73.11 H new ATOM 0 HD21 ASN A 108 -3.379 12.564 4.347 1.00 51.44 H new ATOM 0 HD22 ASN A 108 -4.845 11.619 4.623 1.00 51.44 H new ATOM 1747 N LEU A 109 -2.945 6.523 2.718 1.00 53.14 N ATOM 1748 CA LEU A 109 -2.368 6.101 1.437 1.00 13.20 C ATOM 1749 C LEU A 109 -2.352 7.284 0.497 1.00 11.20 C ATOM 1750 O LEU A 109 -3.392 7.860 0.187 1.00 41.21 O ATOM 1751 CB LEU A 109 -3.131 4.906 0.792 1.00 44.51 C ATOM 1752 CG LEU A 109 -2.883 3.515 1.434 1.00 70.02 C ATOM 1753 CD1 LEU A 109 -1.391 3.257 1.605 1.00 31.14 C ATOM 1754 CD2 LEU A 109 -3.633 3.329 2.755 1.00 71.22 C ATOM 0 H LEU A 109 -3.787 6.013 2.985 1.00 53.14 H new ATOM 0 HA LEU A 109 -1.354 5.749 1.626 1.00 13.20 H new ATOM 0 HB2 LEU A 109 -4.199 5.118 0.833 1.00 44.51 H new ATOM 0 HB3 LEU A 109 -2.857 4.852 -0.262 1.00 44.51 H new ATOM 0 HG LEU A 109 -3.287 2.773 0.745 1.00 70.02 H new ATOM 0 HD11 LEU A 109 -1.241 2.276 2.057 1.00 31.14 H new ATOM 0 HD12 LEU A 109 -0.903 3.287 0.631 1.00 31.14 H new ATOM 0 HD13 LEU A 109 -0.961 4.023 2.250 1.00 31.14 H new ATOM 0 HD21 LEU A 109 -3.421 2.338 3.157 1.00 71.22 H new ATOM 0 HD22 LEU A 109 -3.308 4.087 3.468 1.00 71.22 H new ATOM 0 HD23 LEU A 109 -4.705 3.429 2.582 1.00 71.22 H new ATOM 1766 N VAL A 110 -1.137 7.666 0.138 1.00 54.03 N ATOM 1767 CA VAL A 110 -0.845 8.815 -0.694 1.00 30.25 C ATOM 1768 C VAL A 110 -0.417 8.290 -2.084 1.00 1.03 C ATOM 1769 O VAL A 110 -0.520 8.994 -3.097 1.00 2.11 O ATOM 1770 CB VAL A 110 0.266 9.699 0.033 1.00 72.41 C ATOM 1771 CG1 VAL A 110 1.711 9.419 -0.457 1.00 75.22 C ATOM 1772 CG2 VAL A 110 -0.090 11.195 -0.004 1.00 12.21 C ATOM 0 H VAL A 110 -0.299 7.164 0.430 1.00 54.03 H new ATOM 0 HA VAL A 110 -1.709 9.463 -0.841 1.00 30.25 H new ATOM 0 HB VAL A 110 0.261 9.387 1.077 1.00 72.41 H new ATOM 0 HG11 VAL A 110 2.409 10.058 0.084 1.00 75.22 H new ATOM 0 HG12 VAL A 110 1.961 8.374 -0.275 1.00 75.22 H new ATOM 0 HG13 VAL A 110 1.780 9.628 -1.525 1.00 75.22 H new ATOM 0 HG21 VAL A 110 0.689 11.767 0.500 1.00 12.21 H new ATOM 0 HG22 VAL A 110 -0.169 11.525 -1.040 1.00 12.21 H new ATOM 0 HG23 VAL A 110 -1.042 11.355 0.501 1.00 12.21 H new ATOM 1782 N SER A 111 0.043 7.019 -2.097 1.00 71.12 N ATOM 1783 CA SER A 111 0.373 6.256 -3.307 1.00 14.21 C ATOM 1784 C SER A 111 0.176 4.750 -3.004 1.00 33.51 C ATOM 1785 O SER A 111 0.590 4.268 -1.947 1.00 14.52 O ATOM 1786 CB SER A 111 1.836 6.531 -3.752 1.00 41.34 C ATOM 1787 OG SER A 111 2.065 7.911 -4.016 1.00 63.41 O ATOM 0 H SER A 111 0.197 6.488 -1.240 1.00 71.12 H new ATOM 0 HA SER A 111 -0.282 6.562 -4.122 1.00 14.21 H new ATOM 0 HB2 SER A 111 2.521 6.193 -2.974 1.00 41.34 H new ATOM 0 HB3 SER A 111 2.058 5.949 -4.647 1.00 41.34 H new ATOM 0 HG SER A 111 2.997 8.041 -4.291 1.00 63.41 H new ATOM 1793 N PHE A 112 -0.454 4.021 -3.932 1.00 31.51 N ATOM 1794 CA PHE A 112 -0.626 2.559 -3.850 1.00 71.31 C ATOM 1795 C PHE A 112 -0.152 1.973 -5.172 1.00 1.24 C ATOM 1796 O PHE A 112 -0.634 2.373 -6.240 1.00 52.02 O ATOM 1797 CB PHE A 112 -2.109 2.154 -3.532 1.00 13.30 C ATOM 1798 CG PHE A 112 -2.500 0.705 -3.935 1.00 34.00 C ATOM 1799 CD1 PHE A 112 -2.278 -0.371 -3.072 1.00 50.14 C ATOM 1800 CD2 PHE A 112 -3.072 0.418 -5.185 1.00 42.34 C ATOM 1801 CE1 PHE A 112 -2.613 -1.666 -3.429 1.00 5.25 C ATOM 1802 CE2 PHE A 112 -3.404 -0.885 -5.538 1.00 64.53 C ATOM 1803 CZ PHE A 112 -3.175 -1.924 -4.659 1.00 53.14 C ATOM 0 H PHE A 112 -0.864 4.430 -4.771 1.00 31.51 H new ATOM 0 HA PHE A 112 -0.036 2.161 -3.025 1.00 71.31 H new ATOM 0 HB2 PHE A 112 -2.281 2.275 -2.462 1.00 13.30 H new ATOM 0 HB3 PHE A 112 -2.776 2.849 -4.043 1.00 13.30 H new ATOM 0 HD1 PHE A 112 -1.835 -0.188 -2.104 1.00 50.14 H new ATOM 0 HD2 PHE A 112 -3.257 1.222 -5.883 1.00 42.34 H new ATOM 0 HE1 PHE A 112 -2.433 -2.477 -2.739 1.00 5.25 H new ATOM 0 HE2 PHE A 112 -3.843 -1.085 -6.504 1.00 64.53 H new ATOM 0 HZ PHE A 112 -3.436 -2.935 -4.935 1.00 53.14 H new ATOM 1813 N THR A 113 0.811 1.060 -5.090 1.00 70.41 N ATOM 1814 CA THR A 113 1.337 0.352 -6.256 1.00 42.23 C ATOM 1815 C THR A 113 1.675 -1.075 -5.829 1.00 43.02 C ATOM 1816 O THR A 113 1.855 -1.350 -4.638 1.00 32.13 O ATOM 1817 CB THR A 113 2.630 1.051 -6.854 1.00 50.11 C ATOM 1818 OG1 THR A 113 2.766 2.391 -6.338 1.00 5.20 O ATOM 1819 CG2 THR A 113 2.618 1.121 -8.386 1.00 24.11 C ATOM 0 H THR A 113 1.251 0.788 -4.211 1.00 70.41 H new ATOM 0 HA THR A 113 0.580 0.363 -7.040 1.00 42.23 H new ATOM 0 HB THR A 113 3.474 0.432 -6.548 1.00 50.11 H new ATOM 0 HG1 THR A 113 3.074 2.354 -5.408 1.00 5.20 H new ATOM 0 HG21 THR A 113 3.528 1.609 -8.735 1.00 24.11 H new ATOM 0 HG22 THR A 113 2.567 0.112 -8.796 1.00 24.11 H new ATOM 0 HG23 THR A 113 1.750 1.691 -8.717 1.00 24.11 H new ATOM 1827 N MET A 114 1.748 -1.988 -6.789 1.00 22.34 N ATOM 1828 CA MET A 114 2.150 -3.371 -6.524 1.00 30.31 C ATOM 1829 C MET A 114 3.583 -3.617 -7.076 1.00 24.15 C ATOM 1830 O MET A 114 3.812 -4.594 -7.820 1.00 55.42 O ATOM 1831 CB MET A 114 1.090 -4.331 -7.117 1.00 24.33 C ATOM 1832 CG MET A 114 -0.374 -3.991 -6.761 1.00 14.13 C ATOM 1833 SD MET A 114 -1.183 -2.900 -7.952 1.00 64.33 S ATOM 1834 CE MET A 114 -1.520 -4.061 -9.270 1.00 4.11 C ATOM 1835 OXT MET A 114 4.477 -2.803 -6.754 1.00 37.38 O ATOM 0 H MET A 114 1.533 -1.797 -7.768 1.00 22.34 H new ATOM 0 HA MET A 114 2.194 -3.565 -5.452 1.00 30.31 H new ATOM 0 HB2 MET A 114 1.192 -4.335 -8.202 1.00 24.33 H new ATOM 0 HB3 MET A 114 1.306 -5.343 -6.773 1.00 24.33 H new ATOM 0 HG2 MET A 114 -0.944 -4.917 -6.686 1.00 14.13 H new ATOM 0 HG3 MET A 114 -0.399 -3.521 -5.778 1.00 14.13 H new ATOM 0 HE1 MET A 114 -1.351 -3.578 -10.232 1.00 4.11 H new ATOM 0 HE2 MET A 114 -0.858 -4.922 -9.175 1.00 4.11 H new ATOM 0 HE3 MET A 114 -2.557 -4.392 -9.207 1.00 4.11 H new TER 1845 MET A 114