USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 709 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 24 THR OG1 : rot 180:sc= 0.1 USER MOD Set 1.2: A 98 THR OG1 : rot -111:sc= -0.235 USER MOD Single : A 18 THR OG1 : rot -26:sc= 0.6 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -171:sc= -2.78 (180deg=-3.08) USER MOD Single : A 30 GLN : amide:sc= -1.16 K(o=-1.2,f=0) USER MOD Single : A 31 ASN : amide:sc= -0.581 X(o=-0.58,f=-0.088) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 28:sc= 0.0498 USER MOD Single : A 46 CYS SG : rot -44:sc= 0.0326 USER MOD Single : A 48 TYR OH : rot 165:sc= -0.867 USER MOD Single : A 51 GLN : amide:sc= -1.71 K(o=-1.7,f=-0.58) USER MOD Single : A 55 ASN : amide:sc= -2.3 K(o=-2.3,f=-0.41) USER MOD Single : A 56 THR OG1 : rot -75:sc= 1.1 USER MOD Single : A 63 THR OG1 : rot 127:sc= -0.385 USER MOD Single : A 71 THR OG1 : rot -52:sc= -0.295 USER MOD Single : A 74 ASN : amide:sc= -4.67! K(o=-4.7!,f=-2.2) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.15) USER MOD Single : A 81 LYS NZ :NH3+ -142:sc= 0 (180deg=-1.29) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0117 USER MOD Single : A 83 LYS NZ :NH3+ -141:sc= 0.864 (180deg=-0.152) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl -152:sc= -1.43 (180deg=-1.82!) USER MOD Single : A 91 GLN : amide:sc= -2.71! X(o=-2.7!,f=-3.1) USER MOD Single : A 94 LYS NZ :NH3+ 163:sc= -0.049 (180deg=-0.294) USER MOD Single : A 100 HIS : no HD1:sc= -1.16 X(o=-1.2,f=-1) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.636 K(o=-0.64,f=-4.1!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 122 SER OG : rot 180:sc= 0 USER MOD Single : B 124 LYS NZ :NH3+ -123:sc= -1.16 (180deg=-1.17) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 18 -0.182 -8.717 -8.913 1.00 0.00 N ATOM 2 CA THR A 18 0.097 -7.483 -8.190 1.00 0.00 C ATOM 3 C THR A 18 -0.197 -6.264 -9.058 1.00 0.00 C ATOM 4 O THR A 18 -0.005 -6.294 -10.272 1.00 0.00 O ATOM 5 CB THR A 18 1.556 -7.455 -7.730 1.00 0.00 C ATOM 6 OG1 THR A 18 2.384 -8.142 -8.649 1.00 0.00 O ATOM 7 CG2 THR A 18 1.764 -8.081 -6.367 1.00 0.00 C ATOM 0 HA THR A 18 -0.554 -7.450 -7.316 1.00 0.00 H new ATOM 0 HB THR A 18 1.822 -6.399 -7.672 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.856 -8.818 -9.123 1.00 0.00 H new ATOM 0 HG21 THR A 18 2.819 -8.029 -6.100 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.175 -7.542 -5.625 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.448 -9.124 -6.393 1.00 0.00 H new ATOM 15 N VAL A 19 -0.665 -5.193 -8.425 1.00 0.00 N ATOM 16 CA VAL A 19 -0.986 -3.962 -9.138 1.00 0.00 C ATOM 17 C VAL A 19 -0.025 -2.840 -8.755 1.00 0.00 C ATOM 18 O VAL A 19 -0.262 -2.111 -7.793 1.00 0.00 O ATOM 19 CB VAL A 19 -2.429 -3.507 -8.852 1.00 0.00 C ATOM 20 CG1 VAL A 19 -2.811 -2.343 -9.752 1.00 0.00 C ATOM 21 CG2 VAL A 19 -3.399 -4.665 -9.024 1.00 0.00 C ATOM 0 H VAL A 19 -0.830 -5.153 -7.419 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.886 -4.176 -10.202 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.485 -3.169 -7.817 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.834 -2.036 -9.535 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.135 -1.507 -9.572 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.738 -2.651 -10.795 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.413 -4.324 -8.818 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.343 -5.038 -10.047 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.137 -5.465 -8.331 1.00 0.00 H new ATOM 31 N PRO A 20 1.079 -2.685 -9.508 1.00 0.00 N ATOM 32 CA PRO A 20 2.077 -1.644 -9.240 1.00 0.00 C ATOM 33 C PRO A 20 1.452 -0.260 -9.113 1.00 0.00 C ATOM 34 O PRO A 20 0.846 0.248 -10.057 1.00 0.00 O ATOM 35 CB PRO A 20 2.994 -1.707 -10.464 1.00 0.00 C ATOM 36 CG PRO A 20 2.858 -3.103 -10.966 1.00 0.00 C ATOM 37 CD PRO A 20 1.442 -3.512 -10.675 1.00 0.00 C ATOM 0 HA PRO A 20 2.594 -1.809 -8.295 1.00 0.00 H new ATOM 0 HB2 PRO A 20 2.694 -0.983 -11.221 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.026 -1.481 -10.198 1.00 0.00 H new ATOM 0 HG2 PRO A 20 3.067 -3.155 -12.034 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.566 -3.767 -10.469 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.786 -3.319 -11.524 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.369 -4.576 -10.451 1.00 0.00 H new ATOM 45 N GLY A 21 1.603 0.347 -7.940 1.00 0.00 N ATOM 46 CA GLY A 21 1.048 1.667 -7.711 1.00 0.00 C ATOM 47 C GLY A 21 1.937 2.526 -6.833 1.00 0.00 C ATOM 48 O GLY A 21 2.384 2.087 -5.773 1.00 0.00 O ATOM 0 H GLY A 21 2.100 -0.053 -7.144 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.898 2.166 -8.669 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.067 1.570 -7.245 1.00 0.00 H new ATOM 52 N LYS A 22 2.194 3.753 -7.275 1.00 0.00 N ATOM 53 CA LYS A 22 3.037 4.675 -6.522 1.00 0.00 C ATOM 54 C LYS A 22 2.236 5.890 -6.063 1.00 0.00 C ATOM 55 O LYS A 22 1.712 6.646 -6.880 1.00 0.00 O ATOM 56 CB LYS A 22 4.225 5.125 -7.373 1.00 0.00 C ATOM 57 CG LYS A 22 3.819 5.825 -8.663 1.00 0.00 C ATOM 58 CD LYS A 22 4.044 7.326 -8.578 1.00 0.00 C ATOM 59 CE LYS A 22 3.588 8.029 -9.847 1.00 0.00 C ATOM 60 NZ LYS A 22 3.513 9.504 -9.667 1.00 0.00 N ATOM 0 H LYS A 22 1.831 4.132 -8.150 1.00 0.00 H new ATOM 0 HA LYS A 22 3.409 4.152 -5.641 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.849 5.798 -6.785 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.836 4.256 -7.617 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.392 5.417 -9.495 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.768 5.625 -8.871 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.502 7.729 -7.722 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.102 7.528 -8.409 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.278 7.797 -10.659 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.610 7.649 -10.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.199 9.946 -10.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.836 9.727 -8.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.452 9.871 -9.411 1.00 0.00 H new ATOM 74 N VAL A 23 2.147 6.070 -4.749 1.00 0.00 N ATOM 75 CA VAL A 23 1.409 7.192 -4.180 1.00 0.00 C ATOM 76 C VAL A 23 2.354 8.194 -3.523 1.00 0.00 C ATOM 77 O VAL A 23 3.387 7.817 -2.968 1.00 0.00 O ATOM 78 CB VAL A 23 0.375 6.714 -3.141 1.00 0.00 C ATOM 79 CG1 VAL A 23 1.059 5.977 -1.999 1.00 0.00 C ATOM 80 CG2 VAL A 23 -0.442 7.886 -2.617 1.00 0.00 C ATOM 0 H VAL A 23 2.576 5.454 -4.059 1.00 0.00 H new ATOM 0 HA VAL A 23 0.885 7.679 -5.003 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.306 6.019 -3.632 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.311 5.649 -1.278 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.589 5.110 -2.392 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.768 6.644 -1.508 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.166 7.527 -1.885 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.222 8.610 -2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.968 8.361 -3.445 1.00 0.00 H new ATOM 90 N THR A 24 1.993 9.471 -3.588 1.00 0.00 N ATOM 91 CA THR A 24 2.806 10.528 -2.999 1.00 0.00 C ATOM 92 C THR A 24 2.094 11.165 -1.810 1.00 0.00 C ATOM 93 O THR A 24 1.328 12.116 -1.970 1.00 0.00 O ATOM 94 CB THR A 24 3.130 11.595 -4.047 1.00 0.00 C ATOM 95 OG1 THR A 24 3.771 11.017 -5.170 1.00 0.00 O ATOM 96 CG2 THR A 24 4.026 12.696 -3.522 1.00 0.00 C ATOM 0 H THR A 24 1.141 9.799 -4.043 1.00 0.00 H new ATOM 0 HA THR A 24 3.736 10.082 -2.645 1.00 0.00 H new ATOM 0 HB THR A 24 2.170 12.031 -4.322 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.968 11.715 -5.829 1.00 0.00 H new ATOM 0 HG21 THR A 24 4.217 13.419 -4.315 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.537 13.195 -2.686 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.971 12.268 -3.187 1.00 0.00 H new ATOM 104 N LEU A 25 2.349 10.633 -0.619 1.00 0.00 N ATOM 105 CA LEU A 25 1.732 11.149 0.596 1.00 0.00 C ATOM 106 C LEU A 25 2.687 12.077 1.340 1.00 0.00 C ATOM 107 O LEU A 25 3.893 11.839 1.382 1.00 0.00 O ATOM 108 CB LEU A 25 1.313 9.995 1.508 1.00 0.00 C ATOM 109 CG LEU A 25 0.547 8.868 0.815 1.00 0.00 C ATOM 110 CD1 LEU A 25 0.872 7.528 1.457 1.00 0.00 C ATOM 111 CD2 LEU A 25 -0.950 9.133 0.861 1.00 0.00 C ATOM 0 H LEU A 25 2.979 9.845 -0.470 1.00 0.00 H new ATOM 0 HA LEU A 25 0.848 11.719 0.311 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.206 9.575 1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.694 10.394 2.312 1.00 0.00 H new ATOM 0 HG LEU A 25 0.858 8.833 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.318 6.738 0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.941 7.333 1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.591 7.551 2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.479 8.320 0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.277 9.196 1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.169 10.073 0.354 1.00 0.00 H new ATOM 123 N GLN A 26 2.137 13.136 1.926 1.00 0.00 N ATOM 124 CA GLN A 26 2.941 14.100 2.669 1.00 0.00 C ATOM 125 C GLN A 26 2.921 13.788 4.162 1.00 0.00 C ATOM 126 O GLN A 26 1.909 13.340 4.698 1.00 0.00 O ATOM 127 CB GLN A 26 2.424 15.520 2.427 1.00 0.00 C ATOM 128 CG GLN A 26 2.425 15.925 0.961 1.00 0.00 C ATOM 129 CD GLN A 26 1.030 15.968 0.368 1.00 0.00 C ATOM 130 OE1 GLN A 26 0.330 16.976 0.468 1.00 0.00 O ATOM 131 NE2 GLN A 26 0.617 14.871 -0.254 1.00 0.00 N ATOM 0 H GLN A 26 1.140 13.348 1.901 1.00 0.00 H new ATOM 0 HA GLN A 26 3.969 14.029 2.314 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.409 15.600 2.817 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.038 16.223 2.990 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.890 16.906 0.859 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.036 15.222 0.394 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.229 14.058 -0.314 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.313 14.841 -0.672 1.00 0.00 H new ATOM 140 N LYS A 27 4.047 14.026 4.826 1.00 0.00 N ATOM 141 CA LYS A 27 4.159 13.770 6.258 1.00 0.00 C ATOM 142 C LYS A 27 3.144 14.596 7.039 1.00 0.00 C ATOM 143 O LYS A 27 2.668 15.625 6.562 1.00 0.00 O ATOM 144 CB LYS A 27 5.575 14.086 6.744 1.00 0.00 C ATOM 145 CG LYS A 27 6.652 13.262 6.057 1.00 0.00 C ATOM 146 CD LYS A 27 7.224 12.201 6.983 1.00 0.00 C ATOM 147 CE LYS A 27 7.748 11.006 6.203 1.00 0.00 C ATOM 148 NZ LYS A 27 6.645 10.154 5.682 1.00 0.00 N ATOM 0 H LYS A 27 4.895 14.396 4.396 1.00 0.00 H new ATOM 0 HA LYS A 27 3.950 12.714 6.431 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.779 15.144 6.580 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.628 13.914 7.819 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.235 12.785 5.170 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.453 13.919 5.718 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.030 12.631 7.577 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.454 11.872 7.681 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.360 11.356 5.371 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.395 10.409 6.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.040 9.275 5.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.989 9.924 6.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.134 10.666 4.935 1.00 0.00 H new ATOM 162 N ASP A 28 2.815 14.137 8.243 1.00 0.00 N ATOM 163 CA ASP A 28 1.856 14.834 9.091 1.00 0.00 C ATOM 164 C ASP A 28 2.573 15.727 10.100 1.00 0.00 C ATOM 165 O ASP A 28 3.787 15.916 10.026 1.00 0.00 O ATOM 166 CB ASP A 28 0.960 13.828 9.818 1.00 0.00 C ATOM 167 CG ASP A 28 1.736 12.943 10.776 1.00 0.00 C ATOM 168 OD1 ASP A 28 2.962 13.147 10.917 1.00 0.00 O ATOM 169 OD2 ASP A 28 1.118 12.044 11.386 1.00 0.00 O ATOM 0 H ASP A 28 3.199 13.285 8.652 1.00 0.00 H new ATOM 0 HA ASP A 28 1.234 15.465 8.456 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.189 14.366 10.369 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.450 13.204 9.084 1.00 0.00 H new ATOM 174 N ALA A 29 1.813 16.275 11.044 1.00 0.00 N ATOM 175 CA ALA A 29 2.374 17.149 12.068 1.00 0.00 C ATOM 176 C ALA A 29 3.487 16.449 12.843 1.00 0.00 C ATOM 177 O ALA A 29 4.418 17.093 13.328 1.00 0.00 O ATOM 178 CB ALA A 29 1.281 17.617 13.017 1.00 0.00 C ATOM 0 H ALA A 29 0.806 16.129 11.121 1.00 0.00 H new ATOM 0 HA ALA A 29 2.807 18.017 11.571 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.713 18.269 13.777 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.523 18.165 12.457 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.823 16.753 13.498 1.00 0.00 H new ATOM 184 N GLN A 30 3.385 15.129 12.959 1.00 0.00 N ATOM 185 CA GLN A 30 4.387 14.346 13.676 1.00 0.00 C ATOM 186 C GLN A 30 5.450 13.801 12.725 1.00 0.00 C ATOM 187 O GLN A 30 6.191 12.883 13.074 1.00 0.00 O ATOM 188 CB GLN A 30 3.723 13.184 14.423 1.00 0.00 C ATOM 189 CG GLN A 30 2.377 13.533 15.035 1.00 0.00 C ATOM 190 CD GLN A 30 2.507 14.356 16.302 1.00 0.00 C ATOM 191 OE1 GLN A 30 2.181 13.891 17.395 1.00 0.00 O ATOM 192 NE2 GLN A 30 2.988 15.587 16.162 1.00 0.00 N ATOM 0 H GLN A 30 2.621 14.579 12.567 1.00 0.00 H new ATOM 0 HA GLN A 30 4.872 15.008 14.393 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.592 12.350 13.734 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.392 12.843 15.213 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.784 14.086 14.307 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.834 12.614 15.257 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.246 15.932 15.237 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.100 16.187 16.979 1.00 0.00 H new ATOM 201 N ASN A 31 5.521 14.368 11.522 1.00 0.00 N ATOM 202 CA ASN A 31 6.495 13.927 10.528 1.00 0.00 C ATOM 203 C ASN A 31 6.403 12.420 10.306 1.00 0.00 C ATOM 204 O ASN A 31 7.388 11.772 9.949 1.00 0.00 O ATOM 205 CB ASN A 31 7.910 14.303 10.971 1.00 0.00 C ATOM 206 CG ASN A 31 8.868 14.427 9.802 1.00 0.00 C ATOM 207 OD1 ASN A 31 8.977 15.486 9.183 1.00 0.00 O ATOM 208 ND2 ASN A 31 9.570 13.343 9.495 1.00 0.00 N ATOM 0 H ASN A 31 4.918 15.131 11.214 1.00 0.00 H new ATOM 0 HA ASN A 31 6.270 14.429 9.587 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.879 15.248 11.514 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.283 13.549 11.665 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.232 13.367 8.719 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.448 12.486 10.035 1.00 0.00 H new ATOM 215 N LEU A 32 5.213 11.866 10.526 1.00 0.00 N ATOM 216 CA LEU A 32 4.990 10.435 10.357 1.00 0.00 C ATOM 217 C LEU A 32 3.688 10.171 9.607 1.00 0.00 C ATOM 218 O LEU A 32 2.601 10.427 10.123 1.00 0.00 O ATOM 219 CB LEU A 32 4.953 9.744 11.721 1.00 0.00 C ATOM 220 CG LEU A 32 6.224 9.895 12.558 1.00 0.00 C ATOM 221 CD1 LEU A 32 5.882 10.011 14.036 1.00 0.00 C ATOM 222 CD2 LEU A 32 7.159 8.719 12.319 1.00 0.00 C ATOM 0 H LEU A 32 4.388 12.388 10.822 1.00 0.00 H new ATOM 0 HA LEU A 32 5.814 10.029 9.770 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.112 10.141 12.290 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.761 8.682 11.568 1.00 0.00 H new ATOM 0 HG LEU A 32 6.731 10.810 12.251 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.800 10.118 14.615 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.249 10.884 14.196 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.352 9.115 14.358 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.059 8.841 12.922 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.658 7.793 12.599 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.431 8.679 11.264 1.00 0.00 H new ATOM 234 N ILE A 33 3.804 9.654 8.388 1.00 0.00 N ATOM 235 CA ILE A 33 2.633 9.355 7.571 1.00 0.00 C ATOM 236 C ILE A 33 1.714 8.360 8.275 1.00 0.00 C ATOM 237 O ILE A 33 0.502 8.363 8.061 1.00 0.00 O ATOM 238 CB ILE A 33 3.027 8.794 6.190 1.00 0.00 C ATOM 239 CG1 ILE A 33 4.126 7.739 6.325 1.00 0.00 C ATOM 240 CG2 ILE A 33 3.480 9.921 5.273 1.00 0.00 C ATOM 241 CD1 ILE A 33 4.347 6.931 5.066 1.00 0.00 C ATOM 0 H ILE A 33 4.696 9.434 7.944 1.00 0.00 H new ATOM 0 HA ILE A 33 2.103 10.296 7.425 1.00 0.00 H new ATOM 0 HB ILE A 33 2.151 8.317 5.751 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.059 8.231 6.599 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.871 7.063 7.141 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.755 9.511 4.301 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.668 10.637 5.148 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.342 10.423 5.712 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.140 6.203 5.235 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.427 6.410 4.802 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.634 7.597 4.252 1.00 0.00 H new ATOM 253 N GLY A 34 2.298 7.515 9.118 1.00 0.00 N ATOM 254 CA GLY A 34 1.514 6.532 9.846 1.00 0.00 C ATOM 255 C GLY A 34 1.375 5.219 9.102 1.00 0.00 C ATOM 256 O GLY A 34 0.332 4.941 8.511 1.00 0.00 O ATOM 0 H GLY A 34 3.299 7.493 9.311 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.980 6.348 10.814 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.522 6.939 10.042 1.00 0.00 H new ATOM 260 N ILE A 35 2.427 4.407 9.136 1.00 0.00 N ATOM 261 CA ILE A 35 2.417 3.111 8.465 1.00 0.00 C ATOM 262 C ILE A 35 3.482 2.185 9.046 1.00 0.00 C ATOM 263 O ILE A 35 4.629 2.587 9.239 1.00 0.00 O ATOM 264 CB ILE A 35 2.652 3.255 6.950 1.00 0.00 C ATOM 265 CG1 ILE A 35 3.887 4.118 6.681 1.00 0.00 C ATOM 266 CG2 ILE A 35 1.427 3.850 6.275 1.00 0.00 C ATOM 267 CD1 ILE A 35 4.596 3.771 5.390 1.00 0.00 C ATOM 0 H ILE A 35 3.298 4.623 9.621 1.00 0.00 H new ATOM 0 HA ILE A 35 1.430 2.679 8.630 1.00 0.00 H new ATOM 0 HB ILE A 35 2.826 2.264 6.531 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.589 5.166 6.652 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.585 4.008 7.511 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.611 3.945 5.205 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.569 3.199 6.439 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.222 4.834 6.696 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.461 4.422 5.264 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.925 2.732 5.423 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.913 3.909 4.552 1.00 0.00 H new ATOM 279 N SER A 36 3.095 0.945 9.323 1.00 0.00 N ATOM 280 CA SER A 36 4.018 -0.037 9.881 1.00 0.00 C ATOM 281 C SER A 36 4.600 -0.922 8.785 1.00 0.00 C ATOM 282 O SER A 36 3.950 -1.185 7.774 1.00 0.00 O ATOM 283 CB SER A 36 3.307 -0.900 10.926 1.00 0.00 C ATOM 284 OG SER A 36 3.436 -0.341 12.222 1.00 0.00 O ATOM 0 H SER A 36 2.149 0.596 9.170 1.00 0.00 H new ATOM 0 HA SER A 36 4.836 0.502 10.360 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.252 -0.992 10.669 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.726 -1.906 10.917 1.00 0.00 H new ATOM 0 HG SER A 36 2.972 -0.910 12.871 1.00 0.00 H new ATOM 290 N ILE A 37 5.832 -1.378 8.992 1.00 0.00 N ATOM 291 CA ILE A 37 6.503 -2.234 8.021 1.00 0.00 C ATOM 292 C ILE A 37 7.278 -3.350 8.715 1.00 0.00 C ATOM 293 O ILE A 37 7.665 -3.220 9.876 1.00 0.00 O ATOM 294 CB ILE A 37 7.471 -1.428 7.133 1.00 0.00 C ATOM 295 CG1 ILE A 37 8.400 -0.570 7.996 1.00 0.00 C ATOM 296 CG2 ILE A 37 6.692 -0.559 6.155 1.00 0.00 C ATOM 297 CD1 ILE A 37 9.798 -1.135 8.123 1.00 0.00 C ATOM 0 H ILE A 37 6.385 -1.169 9.823 1.00 0.00 H new ATOM 0 HA ILE A 37 5.725 -2.670 7.394 1.00 0.00 H new ATOM 0 HB ILE A 37 8.083 -2.126 6.562 1.00 0.00 H new ATOM 0 HG12 ILE A 37 8.459 0.431 7.568 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.967 -0.467 8.991 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.389 0.005 5.534 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.071 -1.192 5.521 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.058 0.133 6.709 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.401 -0.476 8.748 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.751 -2.124 8.579 1.00 0.00 H new ATOM 0 HD13 ILE A 37 10.250 -1.212 7.134 1.00 0.00 H new ATOM 309 N GLY A 38 7.500 -4.445 7.996 1.00 0.00 N ATOM 310 CA GLY A 38 8.227 -5.567 8.561 1.00 0.00 C ATOM 311 C GLY A 38 8.954 -6.376 7.504 1.00 0.00 C ATOM 312 O GLY A 38 8.411 -6.642 6.432 1.00 0.00 O ATOM 0 H GLY A 38 7.190 -4.576 7.033 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.947 -5.199 9.292 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.532 -6.214 9.096 1.00 0.00 H new ATOM 316 N GLY A 39 10.186 -6.771 7.809 1.00 0.00 N ATOM 317 CA GLY A 39 10.970 -7.551 6.869 1.00 0.00 C ATOM 318 C GLY A 39 12.240 -8.100 7.490 1.00 0.00 C ATOM 319 O GLY A 39 12.608 -7.726 8.603 1.00 0.00 O ATOM 0 H GLY A 39 10.656 -6.565 8.691 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.366 -8.377 6.494 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.228 -6.929 6.011 1.00 0.00 H new ATOM 323 N GLY A 40 12.912 -8.990 6.767 1.00 0.00 N ATOM 324 CA GLY A 40 14.140 -9.577 7.267 1.00 0.00 C ATOM 325 C GLY A 40 15.377 -8.902 6.705 1.00 0.00 C ATOM 326 O GLY A 40 15.538 -7.689 6.827 1.00 0.00 O ATOM 0 H GLY A 40 12.627 -9.315 5.843 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.155 -9.509 8.355 1.00 0.00 H new ATOM 0 HA3 GLY A 40 14.162 -10.637 7.014 1.00 0.00 H new ATOM 330 N ALA A 41 16.252 -9.690 6.088 1.00 0.00 N ATOM 331 CA ALA A 41 17.479 -9.160 5.507 1.00 0.00 C ATOM 332 C ALA A 41 18.250 -10.245 4.762 1.00 0.00 C ATOM 333 O ALA A 41 18.578 -10.091 3.587 1.00 0.00 O ATOM 334 CB ALA A 41 18.349 -8.541 6.590 1.00 0.00 C ATOM 0 H ALA A 41 16.134 -10.697 5.978 1.00 0.00 H new ATOM 0 HA ALA A 41 17.207 -8.388 4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 41 19.262 -8.149 6.143 1.00 0.00 H new ATOM 0 HB2 ALA A 41 17.805 -7.730 7.075 1.00 0.00 H new ATOM 0 HB3 ALA A 41 18.604 -9.300 7.330 1.00 0.00 H new ATOM 340 N GLN A 42 18.538 -11.342 5.455 1.00 0.00 N ATOM 341 CA GLN A 42 19.272 -12.452 4.857 1.00 0.00 C ATOM 342 C GLN A 42 18.316 -13.502 4.300 1.00 0.00 C ATOM 343 O GLN A 42 18.303 -13.769 3.099 1.00 0.00 O ATOM 344 CB GLN A 42 20.204 -13.089 5.890 1.00 0.00 C ATOM 345 CG GLN A 42 21.468 -12.283 6.144 1.00 0.00 C ATOM 346 CD GLN A 42 21.831 -12.214 7.615 1.00 0.00 C ATOM 347 OE1 GLN A 42 22.280 -13.199 8.202 1.00 0.00 O ATOM 348 NE2 GLN A 42 21.637 -11.048 8.218 1.00 0.00 N ATOM 0 H GLN A 42 18.275 -11.486 6.430 1.00 0.00 H new ATOM 0 HA GLN A 42 19.868 -12.059 4.033 1.00 0.00 H new ATOM 0 HB2 GLN A 42 19.664 -13.209 6.829 1.00 0.00 H new ATOM 0 HB3 GLN A 42 20.481 -14.087 5.551 1.00 0.00 H new ATOM 0 HG2 GLN A 42 22.295 -12.727 5.590 1.00 0.00 H new ATOM 0 HG3 GLN A 42 21.333 -11.272 5.759 1.00 0.00 H new ATOM 0 HE21 GLN A 42 21.263 -10.258 7.692 1.00 0.00 H new ATOM 0 HE22 GLN A 42 21.862 -10.942 9.207 1.00 0.00 H new ATOM 357 N TYR A 43 17.516 -14.097 5.180 1.00 0.00 N ATOM 358 CA TYR A 43 16.557 -15.118 4.771 1.00 0.00 C ATOM 359 C TYR A 43 15.315 -14.485 4.154 1.00 0.00 C ATOM 360 O TYR A 43 14.613 -15.118 3.364 1.00 0.00 O ATOM 361 CB TYR A 43 16.163 -15.989 5.966 1.00 0.00 C ATOM 362 CG TYR A 43 15.774 -15.200 7.195 1.00 0.00 C ATOM 363 CD1 TYR A 43 14.478 -14.731 7.362 1.00 0.00 C ATOM 364 CD2 TYR A 43 16.704 -14.924 8.190 1.00 0.00 C ATOM 365 CE1 TYR A 43 14.119 -14.011 8.486 1.00 0.00 C ATOM 366 CE2 TYR A 43 16.353 -14.205 9.317 1.00 0.00 C ATOM 367 CZ TYR A 43 15.059 -13.751 9.460 1.00 0.00 C ATOM 368 OH TYR A 43 14.704 -13.034 10.580 1.00 0.00 O ATOM 0 H TYR A 43 17.513 -13.890 6.179 1.00 0.00 H new ATOM 0 HA TYR A 43 17.034 -15.745 4.017 1.00 0.00 H new ATOM 0 HB2 TYR A 43 15.329 -16.629 5.678 1.00 0.00 H new ATOM 0 HB3 TYR A 43 16.997 -16.645 6.216 1.00 0.00 H new ATOM 0 HD1 TYR A 43 13.738 -14.932 6.601 1.00 0.00 H new ATOM 0 HD2 TYR A 43 17.719 -15.277 8.081 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.106 -13.654 8.601 1.00 0.00 H new ATOM 0 HE2 TYR A 43 17.088 -14.000 10.081 1.00 0.00 H new ATOM 0 HH TYR A 43 15.482 -12.940 11.168 1.00 0.00 H new ATOM 378 N CYS A 44 15.045 -13.233 4.516 1.00 0.00 N ATOM 379 CA CYS A 44 13.885 -12.519 3.992 1.00 0.00 C ATOM 380 C CYS A 44 14.183 -11.029 3.843 1.00 0.00 C ATOM 381 O CYS A 44 13.715 -10.212 4.636 1.00 0.00 O ATOM 382 CB CYS A 44 12.679 -12.722 4.910 1.00 0.00 C ATOM 383 SG CYS A 44 11.661 -14.157 4.487 1.00 0.00 S ATOM 0 H CYS A 44 15.613 -12.693 5.169 1.00 0.00 H new ATOM 0 HA CYS A 44 13.655 -12.924 3.006 1.00 0.00 H new ATOM 0 HB2 CYS A 44 13.031 -12.830 5.936 1.00 0.00 H new ATOM 0 HB3 CYS A 44 12.057 -11.827 4.879 1.00 0.00 H new ATOM 0 HG CYS A 44 12.398 -15.055 3.902 1.00 0.00 H new ATOM 389 N PRO A 45 14.969 -10.655 2.819 1.00 0.00 N ATOM 390 CA PRO A 45 15.327 -9.254 2.570 1.00 0.00 C ATOM 391 C PRO A 45 14.130 -8.421 2.124 1.00 0.00 C ATOM 392 O PRO A 45 14.095 -7.207 2.327 1.00 0.00 O ATOM 393 CB PRO A 45 16.364 -9.344 1.446 1.00 0.00 C ATOM 394 CG PRO A 45 16.070 -10.632 0.758 1.00 0.00 C ATOM 395 CD PRO A 45 15.568 -11.565 1.825 1.00 0.00 C ATOM 0 HA PRO A 45 15.697 -8.763 3.470 1.00 0.00 H new ATOM 0 HB2 PRO A 45 16.278 -8.501 0.760 1.00 0.00 H new ATOM 0 HB3 PRO A 45 17.379 -9.330 1.843 1.00 0.00 H new ATOM 0 HG2 PRO A 45 15.323 -10.495 -0.024 1.00 0.00 H new ATOM 0 HG3 PRO A 45 16.964 -11.032 0.279 1.00 0.00 H new ATOM 0 HD2 PRO A 45 14.835 -12.269 1.431 1.00 0.00 H new ATOM 0 HD3 PRO A 45 16.377 -12.155 2.256 1.00 0.00 H new ATOM 403 N CYS A 46 13.149 -9.080 1.516 1.00 0.00 N ATOM 404 CA CYS A 46 11.950 -8.399 1.041 1.00 0.00 C ATOM 405 C CYS A 46 11.184 -7.770 2.200 1.00 0.00 C ATOM 406 O CYS A 46 10.971 -8.403 3.234 1.00 0.00 O ATOM 407 CB CYS A 46 11.045 -9.378 0.290 1.00 0.00 C ATOM 408 SG CYS A 46 9.624 -8.601 -0.514 1.00 0.00 S ATOM 0 H CYS A 46 13.161 -10.085 1.341 1.00 0.00 H new ATOM 0 HA CYS A 46 12.260 -7.606 0.361 1.00 0.00 H new ATOM 0 HB2 CYS A 46 11.636 -9.897 -0.464 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.685 -10.133 0.989 1.00 0.00 H new ATOM 0 HG CYS A 46 9.083 -7.742 0.297 1.00 0.00 H new ATOM 414 N LEU A 47 10.771 -6.519 2.019 1.00 0.00 N ATOM 415 CA LEU A 47 10.026 -5.803 3.047 1.00 0.00 C ATOM 416 C LEU A 47 8.527 -5.864 2.771 1.00 0.00 C ATOM 417 O LEU A 47 8.105 -6.156 1.652 1.00 0.00 O ATOM 418 CB LEU A 47 10.491 -4.344 3.120 1.00 0.00 C ATOM 419 CG LEU A 47 11.370 -4.004 4.325 1.00 0.00 C ATOM 420 CD1 LEU A 47 10.563 -4.073 5.612 1.00 0.00 C ATOM 421 CD2 LEU A 47 12.570 -4.939 4.393 1.00 0.00 C ATOM 0 H LEU A 47 10.940 -5.981 1.169 1.00 0.00 H new ATOM 0 HA LEU A 47 10.218 -6.284 4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.042 -4.108 2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.612 -3.699 3.137 1.00 0.00 H new ATOM 0 HG LEU A 47 11.737 -2.985 4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 47 11.205 -3.828 6.458 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.739 -3.361 5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.165 -5.080 5.738 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.183 -4.682 5.257 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.224 -5.968 4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.163 -4.837 3.484 1.00 0.00 H new ATOM 433 N TYR A 48 7.727 -5.586 3.795 1.00 0.00 N ATOM 434 CA TYR A 48 6.275 -5.615 3.657 1.00 0.00 C ATOM 435 C TYR A 48 5.613 -4.636 4.622 1.00 0.00 C ATOM 436 O TYR A 48 6.239 -4.165 5.572 1.00 0.00 O ATOM 437 CB TYR A 48 5.749 -7.030 3.904 1.00 0.00 C ATOM 438 CG TYR A 48 4.717 -7.479 2.893 1.00 0.00 C ATOM 439 CD1 TYR A 48 5.102 -8.059 1.690 1.00 0.00 C ATOM 440 CD2 TYR A 48 3.360 -7.321 3.141 1.00 0.00 C ATOM 441 CE1 TYR A 48 4.161 -8.472 0.765 1.00 0.00 C ATOM 442 CE2 TYR A 48 2.414 -7.730 2.220 1.00 0.00 C ATOM 443 CZ TYR A 48 2.820 -8.305 1.034 1.00 0.00 C ATOM 444 OH TYR A 48 1.881 -8.712 0.116 1.00 0.00 O ATOM 0 H TYR A 48 8.058 -5.339 4.727 1.00 0.00 H new ATOM 0 HA TYR A 48 6.026 -5.313 2.640 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.587 -7.727 3.890 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.312 -7.077 4.902 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.152 -8.189 1.474 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.038 -6.871 4.069 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.476 -8.923 -0.164 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.362 -7.600 2.428 1.00 0.00 H new ATOM 0 HH TYR A 48 1.000 -8.748 0.543 1.00 0.00 H new ATOM 454 N ILE A 49 4.342 -4.336 4.371 1.00 0.00 N ATOM 455 CA ILE A 49 3.589 -3.417 5.216 1.00 0.00 C ATOM 456 C ILE A 49 2.751 -4.177 6.237 1.00 0.00 C ATOM 457 O ILE A 49 2.471 -5.364 6.064 1.00 0.00 O ATOM 458 CB ILE A 49 2.663 -2.515 4.378 1.00 0.00 C ATOM 459 CG1 ILE A 49 3.438 -1.893 3.214 1.00 0.00 C ATOM 460 CG2 ILE A 49 2.045 -1.432 5.249 1.00 0.00 C ATOM 461 CD1 ILE A 49 2.590 -1.001 2.332 1.00 0.00 C ATOM 0 H ILE A 49 3.812 -4.717 3.587 1.00 0.00 H new ATOM 0 HA ILE A 49 4.317 -2.794 5.736 1.00 0.00 H new ATOM 0 HB ILE A 49 1.858 -3.127 3.969 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.270 -1.312 3.611 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.867 -2.690 2.606 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.394 -0.804 4.641 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.463 -1.894 6.046 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.835 -0.821 5.685 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.204 -0.595 1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.772 -1.582 1.906 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.182 -0.183 2.926 1.00 0.00 H new ATOM 473 N VAL A 50 2.353 -3.490 7.303 1.00 0.00 N ATOM 474 CA VAL A 50 1.547 -4.107 8.352 1.00 0.00 C ATOM 475 C VAL A 50 0.124 -3.560 8.347 1.00 0.00 C ATOM 476 O VAL A 50 -0.827 -4.282 8.047 1.00 0.00 O ATOM 477 CB VAL A 50 2.166 -3.881 9.743 1.00 0.00 C ATOM 478 CG1 VAL A 50 1.437 -4.706 10.792 1.00 0.00 C ATOM 479 CG2 VAL A 50 3.650 -4.214 9.727 1.00 0.00 C ATOM 0 H VAL A 50 2.575 -2.507 7.464 1.00 0.00 H new ATOM 0 HA VAL A 50 1.523 -5.176 8.143 1.00 0.00 H new ATOM 0 HB VAL A 50 2.057 -2.828 10.003 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.888 -4.533 11.769 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.387 -4.413 10.820 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.512 -5.764 10.540 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.071 -4.048 10.719 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.786 -5.258 9.445 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.159 -3.574 9.006 1.00 0.00 H new ATOM 489 N GLN A 51 -0.017 -2.282 8.686 1.00 0.00 N ATOM 490 CA GLN A 51 -1.326 -1.642 8.723 1.00 0.00 C ATOM 491 C GLN A 51 -1.190 -0.126 8.820 1.00 0.00 C ATOM 492 O GLN A 51 -0.081 0.409 8.823 1.00 0.00 O ATOM 493 CB GLN A 51 -2.140 -2.170 9.906 1.00 0.00 C ATOM 494 CG GLN A 51 -1.378 -2.159 11.222 1.00 0.00 C ATOM 495 CD GLN A 51 -1.813 -3.271 12.156 1.00 0.00 C ATOM 496 OE1 GLN A 51 -2.166 -3.026 13.308 1.00 0.00 O ATOM 497 NE2 GLN A 51 -1.788 -4.503 11.660 1.00 0.00 N ATOM 0 H GLN A 51 0.759 -1.670 8.939 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.846 -1.882 7.796 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.042 -1.568 10.013 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.461 -3.189 9.690 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.311 -2.255 11.021 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.524 -1.198 11.714 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.488 -4.659 10.698 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.069 -5.293 12.241 1.00 0.00 H new ATOM 506 N VAL A 52 -2.326 0.559 8.901 1.00 0.00 N ATOM 507 CA VAL A 52 -2.339 2.014 8.998 1.00 0.00 C ATOM 508 C VAL A 52 -2.988 2.470 10.298 1.00 0.00 C ATOM 509 O VAL A 52 -3.668 1.694 10.970 1.00 0.00 O ATOM 510 CB VAL A 52 -3.096 2.655 7.819 1.00 0.00 C ATOM 511 CG1 VAL A 52 -2.755 4.133 7.701 1.00 0.00 C ATOM 512 CG2 VAL A 52 -2.790 1.928 6.519 1.00 0.00 C ATOM 0 H VAL A 52 -3.251 0.129 8.901 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.298 2.337 8.973 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.165 2.565 8.014 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.300 4.566 6.862 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.036 4.646 8.621 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.684 4.247 7.535 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.336 2.399 5.702 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.720 1.978 6.317 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.094 0.885 6.605 1.00 0.00 H new ATOM 522 N PHE A 53 -2.779 3.734 10.643 1.00 0.00 N ATOM 523 CA PHE A 53 -3.351 4.301 11.857 1.00 0.00 C ATOM 524 C PHE A 53 -4.496 5.248 11.518 1.00 0.00 C ATOM 525 O PHE A 53 -4.557 5.790 10.415 1.00 0.00 O ATOM 526 CB PHE A 53 -2.277 5.041 12.656 1.00 0.00 C ATOM 527 CG PHE A 53 -1.437 4.138 13.513 1.00 0.00 C ATOM 528 CD1 PHE A 53 -1.841 3.805 14.796 1.00 0.00 C ATOM 529 CD2 PHE A 53 -0.243 3.621 13.035 1.00 0.00 C ATOM 530 CE1 PHE A 53 -1.071 2.974 15.587 1.00 0.00 C ATOM 531 CE2 PHE A 53 0.531 2.791 13.822 1.00 0.00 C ATOM 532 CZ PHE A 53 0.117 2.466 15.099 1.00 0.00 C ATOM 0 H PHE A 53 -2.216 4.387 10.098 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.742 3.485 12.465 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.628 5.579 11.965 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.757 5.787 13.290 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.769 4.200 15.182 1.00 0.00 H new ATOM 0 HD2 PHE A 53 0.085 3.870 12.037 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.398 2.722 16.585 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.460 2.396 13.439 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.721 1.816 15.715 1.00 0.00 H new ATOM 542 N ASP A 54 -5.400 5.442 12.468 1.00 0.00 N ATOM 543 CA ASP A 54 -6.542 6.324 12.263 1.00 0.00 C ATOM 544 C ASP A 54 -6.127 7.788 12.352 1.00 0.00 C ATOM 545 O ASP A 54 -5.165 8.132 13.038 1.00 0.00 O ATOM 546 CB ASP A 54 -7.633 6.030 13.294 1.00 0.00 C ATOM 547 CG ASP A 54 -9.011 6.438 12.810 1.00 0.00 C ATOM 548 OD1 ASP A 54 -9.125 7.507 12.175 1.00 0.00 O ATOM 549 OD2 ASP A 54 -9.976 5.688 13.068 1.00 0.00 O ATOM 0 H ASP A 54 -5.366 5.002 13.387 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.934 6.137 11.263 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.633 4.965 13.525 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.405 6.557 14.220 1.00 0.00 H new ATOM 554 N ASN A 55 -6.863 8.642 11.653 1.00 0.00 N ATOM 555 CA ASN A 55 -6.581 10.075 11.648 1.00 0.00 C ATOM 556 C ASN A 55 -5.189 10.366 11.091 1.00 0.00 C ATOM 557 O ASN A 55 -4.564 11.361 11.454 1.00 0.00 O ATOM 558 CB ASN A 55 -6.703 10.643 13.063 1.00 0.00 C ATOM 559 CG ASN A 55 -8.127 10.595 13.583 1.00 0.00 C ATOM 560 OD1 ASN A 55 -8.784 11.627 13.719 1.00 0.00 O ATOM 561 ND2 ASN A 55 -8.608 9.394 13.881 1.00 0.00 N ATOM 0 H ASN A 55 -7.662 8.368 11.081 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.314 10.556 11.001 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -6.054 10.081 13.735 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.351 11.675 13.069 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.559 9.300 14.239 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.027 8.566 13.752 1.00 0.00 H new ATOM 568 N THR A 56 -4.712 9.496 10.205 1.00 0.00 N ATOM 569 CA THR A 56 -3.397 9.671 9.600 1.00 0.00 C ATOM 570 C THR A 56 -3.525 9.989 8.111 1.00 0.00 C ATOM 571 O THR A 56 -4.518 9.636 7.479 1.00 0.00 O ATOM 572 CB THR A 56 -2.548 8.413 9.793 1.00 0.00 C ATOM 573 OG1 THR A 56 -3.122 7.313 9.113 1.00 0.00 O ATOM 574 CG2 THR A 56 -2.382 8.022 11.245 1.00 0.00 C ATOM 0 H THR A 56 -5.215 8.666 9.892 1.00 0.00 H new ATOM 0 HA THR A 56 -2.905 10.509 10.095 1.00 0.00 H new ATOM 0 HB THR A 56 -1.567 8.659 9.386 1.00 0.00 H new ATOM 0 HG1 THR A 56 -3.902 6.991 9.611 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.770 7.123 11.312 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.896 8.833 11.787 1.00 0.00 H new ATOM 0 HG23 THR A 56 -3.361 7.828 11.684 1.00 0.00 H new ATOM 582 N PRO A 57 -2.517 10.663 7.531 1.00 0.00 N ATOM 583 CA PRO A 57 -2.528 11.024 6.108 1.00 0.00 C ATOM 584 C PRO A 57 -2.567 9.800 5.203 1.00 0.00 C ATOM 585 O PRO A 57 -3.114 9.847 4.101 1.00 0.00 O ATOM 586 CB PRO A 57 -1.215 11.793 5.917 1.00 0.00 C ATOM 587 CG PRO A 57 -0.355 11.389 7.065 1.00 0.00 C ATOM 588 CD PRO A 57 -1.294 11.125 8.207 1.00 0.00 C ATOM 0 HA PRO A 57 -3.413 11.603 5.844 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.746 11.541 4.966 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.386 12.869 5.913 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.227 10.499 6.824 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.356 12.176 7.317 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.900 10.370 8.887 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.474 12.023 8.797 1.00 0.00 H new ATOM 596 N ALA A 58 -1.984 8.703 5.674 1.00 0.00 N ATOM 597 CA ALA A 58 -1.953 7.464 4.908 1.00 0.00 C ATOM 598 C ALA A 58 -3.326 6.802 4.874 1.00 0.00 C ATOM 599 O ALA A 58 -3.736 6.254 3.852 1.00 0.00 O ATOM 600 CB ALA A 58 -0.919 6.511 5.488 1.00 0.00 C ATOM 0 H ALA A 58 -1.526 8.647 6.584 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.673 7.708 3.883 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.907 5.589 4.906 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.066 6.977 5.451 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.174 6.283 6.523 1.00 0.00 H new ATOM 606 N ALA A 59 -4.033 6.859 5.999 1.00 0.00 N ATOM 607 CA ALA A 59 -5.361 6.266 6.097 1.00 0.00 C ATOM 608 C ALA A 59 -6.412 7.171 5.466 1.00 0.00 C ATOM 609 O ALA A 59 -7.246 6.718 4.682 1.00 0.00 O ATOM 610 CB ALA A 59 -5.706 5.982 7.550 1.00 0.00 C ATOM 0 H ALA A 59 -3.708 7.310 6.854 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.354 5.324 5.548 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.700 5.539 7.608 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.976 5.290 7.969 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.690 6.913 8.117 1.00 0.00 H new ATOM 616 N LEU A 60 -6.366 8.453 5.814 1.00 0.00 N ATOM 617 CA LEU A 60 -7.314 9.425 5.283 1.00 0.00 C ATOM 618 C LEU A 60 -7.253 9.468 3.760 1.00 0.00 C ATOM 619 O LEU A 60 -8.283 9.518 3.088 1.00 0.00 O ATOM 620 CB LEU A 60 -7.025 10.815 5.855 1.00 0.00 C ATOM 621 CG LEU A 60 -7.102 10.919 7.379 1.00 0.00 C ATOM 622 CD1 LEU A 60 -6.264 12.088 7.875 1.00 0.00 C ATOM 623 CD2 LEU A 60 -8.547 11.067 7.830 1.00 0.00 C ATOM 0 H LEU A 60 -5.682 8.843 6.462 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.317 9.118 5.581 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.029 11.122 5.535 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.732 11.523 5.422 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.701 10.001 7.809 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.330 12.148 8.961 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.225 11.941 7.582 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.637 13.014 7.437 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.583 11.140 8.917 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.974 11.969 7.392 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.120 10.199 7.505 1.00 0.00 H new ATOM 635 N ASP A 61 -6.038 9.448 3.221 1.00 0.00 N ATOM 636 CA ASP A 61 -5.842 9.484 1.775 1.00 0.00 C ATOM 637 C ASP A 61 -6.317 8.186 1.129 1.00 0.00 C ATOM 638 O ASP A 61 -6.764 8.178 -0.018 1.00 0.00 O ATOM 639 CB ASP A 61 -4.368 9.720 1.445 1.00 0.00 C ATOM 640 CG ASP A 61 -4.162 10.183 0.017 1.00 0.00 C ATOM 641 OD1 ASP A 61 -4.214 9.334 -0.897 1.00 0.00 O ATOM 642 OD2 ASP A 61 -3.948 11.397 -0.189 1.00 0.00 O ATOM 0 H ASP A 61 -5.175 9.407 3.763 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.434 10.307 1.374 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.961 10.465 2.128 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.810 8.798 1.609 1.00 0.00 H new ATOM 647 N GLY A 62 -6.217 7.089 1.874 1.00 0.00 N ATOM 648 CA GLY A 62 -6.639 5.801 1.356 1.00 0.00 C ATOM 649 C GLY A 62 -5.792 5.340 0.188 1.00 0.00 C ATOM 650 O GLY A 62 -6.137 5.581 -0.970 1.00 0.00 O ATOM 0 H GLY A 62 -5.852 7.070 2.826 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.589 5.059 2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.681 5.863 1.043 1.00 0.00 H new ATOM 654 N THR A 63 -4.681 4.675 0.488 1.00 0.00 N ATOM 655 CA THR A 63 -3.784 4.181 -0.549 1.00 0.00 C ATOM 656 C THR A 63 -2.983 2.982 -0.051 1.00 0.00 C ATOM 657 O THR A 63 -3.158 1.863 -0.532 1.00 0.00 O ATOM 658 CB THR A 63 -2.835 5.290 -1.003 1.00 0.00 C ATOM 659 OG1 THR A 63 -3.536 6.508 -1.180 1.00 0.00 O ATOM 660 CG2 THR A 63 -2.125 4.976 -2.302 1.00 0.00 C ATOM 0 H THR A 63 -4.381 4.466 1.440 1.00 0.00 H new ATOM 0 HA THR A 63 -4.391 3.862 -1.397 1.00 0.00 H new ATOM 0 HB THR A 63 -2.090 5.374 -0.212 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.098 7.216 -0.663 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.467 5.804 -2.567 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.535 4.067 -2.184 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.861 4.830 -3.093 1.00 0.00 H new ATOM 668 N VAL A 64 -2.102 3.225 0.915 1.00 0.00 N ATOM 669 CA VAL A 64 -1.274 2.165 1.476 1.00 0.00 C ATOM 670 C VAL A 64 -1.886 1.607 2.756 1.00 0.00 C ATOM 671 O VAL A 64 -2.493 2.342 3.536 1.00 0.00 O ATOM 672 CB VAL A 64 0.150 2.668 1.779 1.00 0.00 C ATOM 673 CG1 VAL A 64 0.867 3.045 0.492 1.00 0.00 C ATOM 674 CG2 VAL A 64 0.107 3.846 2.739 1.00 0.00 C ATOM 0 H VAL A 64 -1.944 4.146 1.324 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.222 1.374 0.727 1.00 0.00 H new ATOM 0 HB VAL A 64 0.707 1.862 2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.871 3.398 0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.931 2.172 -0.158 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.313 3.835 -0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.122 4.188 2.941 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.467 4.658 2.293 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.365 3.538 3.672 1.00 0.00 H new ATOM 684 N ALA A 65 -1.724 0.304 2.965 1.00 0.00 N ATOM 685 CA ALA A 65 -2.262 -0.350 4.152 1.00 0.00 C ATOM 686 C ALA A 65 -1.834 -1.813 4.213 1.00 0.00 C ATOM 687 O ALA A 65 -0.989 -2.256 3.434 1.00 0.00 O ATOM 688 CB ALA A 65 -3.780 -0.236 4.172 1.00 0.00 C ATOM 0 H ALA A 65 -1.225 -0.318 2.329 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.860 0.153 5.031 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.170 -0.728 5.063 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.066 0.816 4.184 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.193 -0.714 3.284 1.00 0.00 H new ATOM 694 N ALA A 66 -2.425 -2.559 5.141 1.00 0.00 N ATOM 695 CA ALA A 66 -2.107 -3.974 5.305 1.00 0.00 C ATOM 696 C ALA A 66 -2.280 -4.733 3.993 1.00 0.00 C ATOM 697 O ALA A 66 -3.270 -4.552 3.287 1.00 0.00 O ATOM 698 CB ALA A 66 -2.980 -4.587 6.388 1.00 0.00 C ATOM 0 H ALA A 66 -3.127 -2.207 5.792 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.062 -4.053 5.605 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.733 -5.643 6.500 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.805 -4.071 7.332 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.029 -4.488 6.109 1.00 0.00 H new ATOM 704 N GLY A 67 -1.308 -5.582 3.674 1.00 0.00 N ATOM 705 CA GLY A 67 -1.374 -6.354 2.447 1.00 0.00 C ATOM 706 C GLY A 67 -0.597 -5.712 1.316 1.00 0.00 C ATOM 707 O GLY A 67 0.036 -6.402 0.516 1.00 0.00 O ATOM 0 H GLY A 67 -0.477 -5.749 4.242 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.983 -7.355 2.630 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.416 -6.468 2.149 1.00 0.00 H new ATOM 711 N ASP A 68 -0.644 -4.385 1.247 1.00 0.00 N ATOM 712 CA ASP A 68 0.060 -3.647 0.204 1.00 0.00 C ATOM 713 C ASP A 68 1.561 -3.913 0.271 1.00 0.00 C ATOM 714 O ASP A 68 2.234 -3.491 1.210 1.00 0.00 O ATOM 715 CB ASP A 68 -0.211 -2.148 0.337 1.00 0.00 C ATOM 716 CG ASP A 68 -1.609 -1.772 -0.114 1.00 0.00 C ATOM 717 OD1 ASP A 68 -2.490 -2.657 -0.120 1.00 0.00 O ATOM 718 OD2 ASP A 68 -1.822 -0.591 -0.462 1.00 0.00 O ATOM 0 H ASP A 68 -1.162 -3.799 1.901 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.310 -3.990 -0.762 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.074 -1.847 1.376 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.520 -1.595 -0.254 1.00 0.00 H new ATOM 723 N GLU A 69 2.077 -4.616 -0.731 1.00 0.00 N ATOM 724 CA GLU A 69 3.498 -4.940 -0.785 1.00 0.00 C ATOM 725 C GLU A 69 4.317 -3.733 -1.234 1.00 0.00 C ATOM 726 O GLU A 69 4.267 -3.335 -2.398 1.00 0.00 O ATOM 727 CB GLU A 69 3.739 -6.114 -1.735 1.00 0.00 C ATOM 728 CG GLU A 69 5.196 -6.536 -1.825 1.00 0.00 C ATOM 729 CD GLU A 69 5.658 -6.741 -3.254 1.00 0.00 C ATOM 730 OE1 GLU A 69 5.178 -7.695 -3.903 1.00 0.00 O ATOM 731 OE2 GLU A 69 6.498 -5.946 -3.728 1.00 0.00 O ATOM 0 H GLU A 69 1.533 -4.972 -1.517 1.00 0.00 H new ATOM 0 HA GLU A 69 3.818 -5.220 0.219 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.143 -6.965 -1.406 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.386 -5.843 -2.730 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.820 -5.778 -1.351 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.338 -7.461 -1.265 1.00 0.00 H new ATOM 738 N ILE A 70 5.071 -3.158 -0.303 1.00 0.00 N ATOM 739 CA ILE A 70 5.904 -2.000 -0.604 1.00 0.00 C ATOM 740 C ILE A 70 7.166 -2.417 -1.351 1.00 0.00 C ATOM 741 O ILE A 70 7.827 -3.386 -0.979 1.00 0.00 O ATOM 742 CB ILE A 70 6.299 -1.245 0.682 1.00 0.00 C ATOM 743 CG1 ILE A 70 7.091 0.019 0.339 1.00 0.00 C ATOM 744 CG2 ILE A 70 7.105 -2.148 1.603 1.00 0.00 C ATOM 745 CD1 ILE A 70 7.389 0.889 1.540 1.00 0.00 C ATOM 0 H ILE A 70 5.122 -3.475 0.665 1.00 0.00 H new ATOM 0 HA ILE A 70 5.315 -1.335 -1.236 1.00 0.00 H new ATOM 0 HB ILE A 70 5.388 -0.949 1.202 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.030 -0.268 -0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 70 6.531 0.602 -0.392 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.375 -1.599 2.505 1.00 0.00 H new ATOM 0 HG22 ILE A 70 6.507 -3.019 1.873 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.011 -2.474 1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 70 7.952 1.766 1.223 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.453 1.206 2.001 1.00 0.00 H new ATOM 0 HD13 ILE A 70 7.976 0.323 2.263 1.00 0.00 H new ATOM 757 N THR A 71 7.495 -1.683 -2.409 1.00 0.00 N ATOM 758 CA THR A 71 8.678 -1.986 -3.207 1.00 0.00 C ATOM 759 C THR A 71 9.266 -0.719 -3.823 1.00 0.00 C ATOM 760 O THR A 71 9.649 -0.709 -4.993 1.00 0.00 O ATOM 761 CB THR A 71 8.329 -2.988 -4.309 1.00 0.00 C ATOM 762 OG1 THR A 71 9.469 -3.284 -5.095 1.00 0.00 O ATOM 763 CG2 THR A 71 7.244 -2.499 -5.242 1.00 0.00 C ATOM 0 H THR A 71 6.961 -0.877 -2.733 1.00 0.00 H new ATOM 0 HA THR A 71 9.426 -2.424 -2.547 1.00 0.00 H new ATOM 0 HB THR A 71 7.965 -3.874 -3.789 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.874 -2.449 -5.411 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.046 -3.258 -5.999 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.334 -2.308 -4.673 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.569 -1.579 -5.727 1.00 0.00 H new ATOM 771 N GLY A 72 9.338 0.343 -3.029 1.00 0.00 N ATOM 772 CA GLY A 72 9.886 1.593 -3.522 1.00 0.00 C ATOM 773 C GLY A 72 9.492 2.783 -2.668 1.00 0.00 C ATOM 774 O GLY A 72 8.414 2.803 -2.077 1.00 0.00 O ATOM 0 H GLY A 72 9.028 0.362 -2.057 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.973 1.520 -3.556 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.545 1.756 -4.544 1.00 0.00 H new ATOM 778 N VAL A 73 10.371 3.779 -2.608 1.00 0.00 N ATOM 779 CA VAL A 73 10.116 4.982 -1.824 1.00 0.00 C ATOM 780 C VAL A 73 10.885 6.173 -2.388 1.00 0.00 C ATOM 781 O VAL A 73 12.075 6.070 -2.681 1.00 0.00 O ATOM 782 CB VAL A 73 10.507 4.787 -0.348 1.00 0.00 C ATOM 783 CG1 VAL A 73 10.083 5.991 0.483 1.00 0.00 C ATOM 784 CG2 VAL A 73 9.895 3.510 0.205 1.00 0.00 C ATOM 0 H VAL A 73 11.268 3.776 -3.094 1.00 0.00 H new ATOM 0 HA VAL A 73 9.045 5.178 -1.883 1.00 0.00 H new ATOM 0 HB VAL A 73 11.592 4.697 -0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.368 5.834 1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.575 6.887 0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.002 6.115 0.418 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.184 3.391 1.249 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.809 3.566 0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 73 10.253 2.656 -0.370 1.00 0.00 H new ATOM 794 N ASN A 74 10.194 7.302 -2.534 1.00 0.00 N ATOM 795 CA ASN A 74 10.804 8.525 -3.060 1.00 0.00 C ATOM 796 C ASN A 74 11.680 8.233 -4.277 1.00 0.00 C ATOM 797 O ASN A 74 12.670 8.923 -4.520 1.00 0.00 O ATOM 798 CB ASN A 74 11.627 9.220 -1.973 1.00 0.00 C ATOM 799 CG ASN A 74 12.825 8.400 -1.534 1.00 0.00 C ATOM 800 OD1 ASN A 74 13.818 8.293 -2.254 1.00 0.00 O ATOM 801 ND2 ASN A 74 12.737 7.813 -0.346 1.00 0.00 N ATOM 0 H ASN A 74 9.207 7.397 -2.295 1.00 0.00 H new ATOM 0 HA ASN A 74 9.999 9.188 -3.376 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.969 10.186 -2.344 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.990 9.417 -1.110 1.00 0.00 H new ATOM 0 HD21 ASN A 74 13.511 7.247 0.002 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.895 7.928 0.219 1.00 0.00 H new ATOM 808 N GLY A 75 11.311 7.205 -5.034 1.00 0.00 N ATOM 809 CA GLY A 75 12.076 6.842 -6.213 1.00 0.00 C ATOM 810 C GLY A 75 13.332 6.066 -5.872 1.00 0.00 C ATOM 811 O GLY A 75 14.367 6.231 -6.519 1.00 0.00 O ATOM 0 H GLY A 75 10.497 6.617 -4.853 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.452 6.244 -6.877 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.348 7.746 -6.759 1.00 0.00 H new ATOM 815 N ARG A 76 13.244 5.218 -4.851 1.00 0.00 N ATOM 816 CA ARG A 76 14.384 4.414 -4.426 1.00 0.00 C ATOM 817 C ARG A 76 13.965 2.972 -4.164 1.00 0.00 C ATOM 818 O ARG A 76 12.830 2.706 -3.766 1.00 0.00 O ATOM 819 CB ARG A 76 15.015 5.013 -3.167 1.00 0.00 C ATOM 820 CG ARG A 76 16.228 5.884 -3.452 1.00 0.00 C ATOM 821 CD ARG A 76 17.419 5.487 -2.595 1.00 0.00 C ATOM 822 NE ARG A 76 17.489 6.266 -1.362 1.00 0.00 N ATOM 823 CZ ARG A 76 18.573 6.341 -0.593 1.00 0.00 C ATOM 824 NH1 ARG A 76 19.678 5.686 -0.927 1.00 0.00 N ATOM 825 NH2 ARG A 76 18.553 7.072 0.514 1.00 0.00 N ATOM 0 H ARG A 76 12.396 5.070 -4.304 1.00 0.00 H new ATOM 0 HA ARG A 76 15.120 4.418 -5.230 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.266 5.607 -2.642 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.307 4.205 -2.497 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.495 5.803 -4.506 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.978 6.928 -3.266 1.00 0.00 H new ATOM 0 HD2 ARG A 76 17.353 4.427 -2.351 1.00 0.00 H new ATOM 0 HD3 ARG A 76 18.338 5.626 -3.164 1.00 0.00 H new ATOM 0 HE ARG A 76 16.659 6.783 -1.073 1.00 0.00 H new ATOM 0 HH11 ARG A 76 19.699 5.122 -1.776 1.00 0.00 H new ATOM 0 HH12 ARG A 76 20.506 5.747 -0.334 1.00 0.00 H new ATOM 0 HH21 ARG A 76 17.707 7.577 0.776 1.00 0.00 H new ATOM 0 HH22 ARG A 76 19.384 7.129 1.103 1.00 0.00 H new ATOM 839 N SER A 77 14.888 2.043 -4.391 1.00 0.00 N ATOM 840 CA SER A 77 14.614 0.625 -4.182 1.00 0.00 C ATOM 841 C SER A 77 14.716 0.263 -2.703 1.00 0.00 C ATOM 842 O SER A 77 15.712 0.564 -2.046 1.00 0.00 O ATOM 843 CB SER A 77 15.588 -0.229 -4.996 1.00 0.00 C ATOM 844 OG SER A 77 15.907 0.394 -6.228 1.00 0.00 O ATOM 0 H SER A 77 15.832 2.246 -4.720 1.00 0.00 H new ATOM 0 HA SER A 77 13.597 0.424 -4.517 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.500 -0.394 -4.422 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.148 -1.209 -5.184 1.00 0.00 H new ATOM 0 HG SER A 77 16.532 -0.171 -6.728 1.00 0.00 H new ATOM 850 N ILE A 78 13.677 -0.386 -2.186 1.00 0.00 N ATOM 851 CA ILE A 78 13.647 -0.792 -0.785 1.00 0.00 C ATOM 852 C ILE A 78 13.695 -2.310 -0.642 1.00 0.00 C ATOM 853 O ILE A 78 14.094 -2.832 0.399 1.00 0.00 O ATOM 854 CB ILE A 78 12.391 -0.256 -0.070 1.00 0.00 C ATOM 855 CG1 ILE A 78 11.123 -0.838 -0.701 1.00 0.00 C ATOM 856 CG2 ILE A 78 12.362 1.264 -0.119 1.00 0.00 C ATOM 857 CD1 ILE A 78 10.623 -2.089 -0.011 1.00 0.00 C ATOM 0 H ILE A 78 12.844 -0.642 -2.717 1.00 0.00 H new ATOM 0 HA ILE A 78 14.533 -0.363 -0.317 1.00 0.00 H new ATOM 0 HB ILE A 78 12.428 -0.568 0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.337 -0.083 -0.680 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.320 -1.065 -1.749 1.00 0.00 H new ATOM 0 HG21 ILE A 78 11.469 1.627 0.390 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.249 1.661 0.375 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.347 1.594 -1.158 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.723 -2.445 -0.511 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.392 -2.860 -0.055 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.394 -1.863 1.031 1.00 0.00 H new ATOM 869 N LYS A 79 13.282 -3.018 -1.692 1.00 0.00 N ATOM 870 CA LYS A 79 13.276 -4.478 -1.679 1.00 0.00 C ATOM 871 C LYS A 79 14.643 -5.032 -1.285 1.00 0.00 C ATOM 872 O LYS A 79 14.741 -6.116 -0.712 1.00 0.00 O ATOM 873 CB LYS A 79 12.874 -5.017 -3.053 1.00 0.00 C ATOM 874 CG LYS A 79 11.371 -5.162 -3.234 1.00 0.00 C ATOM 875 CD LYS A 79 11.026 -6.384 -4.070 1.00 0.00 C ATOM 876 CE LYS A 79 11.132 -6.090 -5.557 1.00 0.00 C ATOM 877 NZ LYS A 79 12.525 -6.250 -6.058 1.00 0.00 N ATOM 0 H LYS A 79 12.947 -2.603 -2.562 1.00 0.00 H new ATOM 0 HA LYS A 79 12.548 -4.804 -0.936 1.00 0.00 H new ATOM 0 HB2 LYS A 79 13.262 -4.350 -3.823 1.00 0.00 H new ATOM 0 HB3 LYS A 79 13.345 -5.988 -3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.892 -5.240 -2.258 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.973 -4.268 -3.714 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.696 -7.204 -3.812 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.014 -6.713 -3.834 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.470 -6.758 -6.107 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.791 -5.073 -5.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.523 -6.242 -7.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.112 -5.467 -5.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.914 -7.153 -5.720 1.00 0.00 H new ATOM 891 N GLY A 80 15.694 -4.281 -1.597 1.00 0.00 N ATOM 892 CA GLY A 80 17.039 -4.717 -1.268 1.00 0.00 C ATOM 893 C GLY A 80 17.495 -4.228 0.094 1.00 0.00 C ATOM 894 O GLY A 80 18.374 -4.827 0.712 1.00 0.00 O ATOM 0 H GLY A 80 15.639 -3.380 -2.071 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.080 -5.806 -1.291 1.00 0.00 H new ATOM 0 HA3 GLY A 80 17.730 -4.356 -2.030 1.00 0.00 H new ATOM 898 N LYS A 81 16.896 -3.138 0.564 1.00 0.00 N ATOM 899 CA LYS A 81 17.249 -2.572 1.860 1.00 0.00 C ATOM 900 C LYS A 81 16.631 -3.381 2.996 1.00 0.00 C ATOM 901 O LYS A 81 15.680 -4.136 2.790 1.00 0.00 O ATOM 902 CB LYS A 81 16.788 -1.116 1.948 1.00 0.00 C ATOM 903 CG LYS A 81 17.197 -0.273 0.748 1.00 0.00 C ATOM 904 CD LYS A 81 18.242 0.767 1.121 1.00 0.00 C ATOM 905 CE LYS A 81 17.944 2.112 0.478 1.00 0.00 C ATOM 906 NZ LYS A 81 19.099 3.046 0.582 1.00 0.00 N ATOM 0 H LYS A 81 16.165 -2.630 0.067 1.00 0.00 H new ATOM 0 HA LYS A 81 18.334 -2.610 1.959 1.00 0.00 H new ATOM 0 HB2 LYS A 81 15.703 -1.093 2.045 1.00 0.00 H new ATOM 0 HB3 LYS A 81 17.198 -0.668 2.853 1.00 0.00 H new ATOM 0 HG2 LYS A 81 17.592 -0.921 -0.034 1.00 0.00 H new ATOM 0 HG3 LYS A 81 16.319 0.225 0.337 1.00 0.00 H new ATOM 0 HD2 LYS A 81 18.274 0.880 2.205 1.00 0.00 H new ATOM 0 HD3 LYS A 81 19.227 0.423 0.807 1.00 0.00 H new ATOM 0 HE2 LYS A 81 17.690 1.964 -0.572 1.00 0.00 H new ATOM 0 HE3 LYS A 81 17.072 2.558 0.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 18.751 4.010 0.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 19.715 2.751 1.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 19.639 3.031 -0.307 1.00 0.00 H new ATOM 920 N THR A 82 17.179 -3.218 4.196 1.00 0.00 N ATOM 921 CA THR A 82 16.684 -3.931 5.369 1.00 0.00 C ATOM 922 C THR A 82 15.498 -3.199 5.988 1.00 0.00 C ATOM 923 O THR A 82 15.176 -2.077 5.596 1.00 0.00 O ATOM 924 CB THR A 82 17.799 -4.083 6.405 1.00 0.00 C ATOM 925 OG1 THR A 82 19.071 -4.006 5.787 1.00 0.00 O ATOM 926 CG2 THR A 82 17.737 -5.389 7.166 1.00 0.00 C ATOM 0 H THR A 82 17.967 -2.598 4.382 1.00 0.00 H new ATOM 0 HA THR A 82 16.354 -4.920 5.051 1.00 0.00 H new ATOM 0 HB THR A 82 17.651 -3.264 7.109 1.00 0.00 H new ATOM 0 HG1 THR A 82 19.771 -4.104 6.466 1.00 0.00 H new ATOM 0 HG21 THR A 82 18.556 -5.431 7.884 1.00 0.00 H new ATOM 0 HG22 THR A 82 16.787 -5.457 7.696 1.00 0.00 H new ATOM 0 HG23 THR A 82 17.823 -6.221 6.468 1.00 0.00 H new ATOM 934 N LYS A 83 14.854 -3.840 6.959 1.00 0.00 N ATOM 935 CA LYS A 83 13.705 -3.246 7.635 1.00 0.00 C ATOM 936 C LYS A 83 14.087 -1.921 8.285 1.00 0.00 C ATOM 937 O LYS A 83 13.347 -0.941 8.203 1.00 0.00 O ATOM 938 CB LYS A 83 13.155 -4.205 8.691 1.00 0.00 C ATOM 939 CG LYS A 83 11.716 -3.913 9.086 1.00 0.00 C ATOM 940 CD LYS A 83 11.513 -4.037 10.588 1.00 0.00 C ATOM 941 CE LYS A 83 11.787 -5.452 11.073 1.00 0.00 C ATOM 942 NZ LYS A 83 12.402 -5.464 12.430 1.00 0.00 N ATOM 0 H LYS A 83 15.108 -4.769 7.295 1.00 0.00 H new ATOM 0 HA LYS A 83 12.932 -3.058 6.890 1.00 0.00 H new ATOM 0 HB2 LYS A 83 13.219 -5.225 8.312 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.785 -4.154 9.579 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.446 -2.907 8.763 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.049 -4.603 8.570 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.173 -3.340 11.104 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.491 -3.756 10.842 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.855 -6.016 11.092 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.450 -5.955 10.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.129 -6.207 12.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.839 -4.540 12.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.668 -5.654 13.142 1.00 0.00 H new ATOM 956 N VAL A 84 15.250 -1.898 8.929 1.00 0.00 N ATOM 957 CA VAL A 84 15.734 -0.692 9.590 1.00 0.00 C ATOM 958 C VAL A 84 16.061 0.393 8.571 1.00 0.00 C ATOM 959 O VAL A 84 15.898 1.583 8.841 1.00 0.00 O ATOM 960 CB VAL A 84 16.988 -0.981 10.439 1.00 0.00 C ATOM 961 CG1 VAL A 84 17.382 0.246 11.246 1.00 0.00 C ATOM 962 CG2 VAL A 84 16.753 -2.175 11.353 1.00 0.00 C ATOM 0 H VAL A 84 15.874 -2.701 9.007 1.00 0.00 H new ATOM 0 HA VAL A 84 14.935 -0.345 10.246 1.00 0.00 H new ATOM 0 HB VAL A 84 17.810 -1.224 9.766 1.00 0.00 H new ATOM 0 HG11 VAL A 84 18.269 0.022 11.839 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.597 1.073 10.569 1.00 0.00 H new ATOM 0 HG13 VAL A 84 16.563 0.524 11.909 1.00 0.00 H new ATOM 0 HG21 VAL A 84 17.649 -2.363 11.944 1.00 0.00 H new ATOM 0 HG22 VAL A 84 15.917 -1.964 12.020 1.00 0.00 H new ATOM 0 HG23 VAL A 84 16.524 -3.054 10.751 1.00 0.00 H new ATOM 972 N GLU A 85 16.523 -0.027 7.397 1.00 0.00 N ATOM 973 CA GLU A 85 16.873 0.908 6.334 1.00 0.00 C ATOM 974 C GLU A 85 15.630 1.612 5.798 1.00 0.00 C ATOM 975 O GLU A 85 15.592 2.839 5.705 1.00 0.00 O ATOM 976 CB GLU A 85 17.587 0.173 5.198 1.00 0.00 C ATOM 977 CG GLU A 85 18.915 -0.441 5.610 1.00 0.00 C ATOM 978 CD GLU A 85 20.013 0.594 5.759 1.00 0.00 C ATOM 979 OE1 GLU A 85 19.774 1.623 6.425 1.00 0.00 O ATOM 980 OE2 GLU A 85 21.113 0.375 5.211 1.00 0.00 O ATOM 0 H GLU A 85 16.664 -1.009 7.158 1.00 0.00 H new ATOM 0 HA GLU A 85 17.543 1.660 6.750 1.00 0.00 H new ATOM 0 HB2 GLU A 85 16.935 -0.614 4.819 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.757 0.869 4.377 1.00 0.00 H new ATOM 0 HG2 GLU A 85 18.789 -0.971 6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.216 -1.180 4.868 1.00 0.00 H new ATOM 987 N VAL A 86 14.616 0.828 5.450 1.00 0.00 N ATOM 988 CA VAL A 86 13.372 1.376 4.926 1.00 0.00 C ATOM 989 C VAL A 86 12.701 2.292 5.944 1.00 0.00 C ATOM 990 O VAL A 86 12.261 3.391 5.610 1.00 0.00 O ATOM 991 CB VAL A 86 12.386 0.260 4.529 1.00 0.00 C ATOM 992 CG1 VAL A 86 11.175 0.843 3.816 1.00 0.00 C ATOM 993 CG2 VAL A 86 13.077 -0.780 3.660 1.00 0.00 C ATOM 0 H VAL A 86 14.632 -0.189 5.522 1.00 0.00 H new ATOM 0 HA VAL A 86 13.633 1.952 4.038 1.00 0.00 H new ATOM 0 HB VAL A 86 12.040 -0.232 5.438 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.491 0.039 3.544 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.666 1.544 4.477 1.00 0.00 H new ATOM 0 HG13 VAL A 86 11.499 1.364 2.915 1.00 0.00 H new ATOM 0 HG21 VAL A 86 12.365 -1.560 3.390 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.455 -0.305 2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.907 -1.222 4.212 1.00 0.00 H new ATOM 1003 N ALA A 87 12.627 1.831 7.189 1.00 0.00 N ATOM 1004 CA ALA A 87 12.010 2.609 8.258 1.00 0.00 C ATOM 1005 C ALA A 87 12.676 3.973 8.399 1.00 0.00 C ATOM 1006 O ALA A 87 12.006 5.006 8.380 1.00 0.00 O ATOM 1007 CB ALA A 87 12.081 1.847 9.573 1.00 0.00 C ATOM 0 H ALA A 87 12.987 0.923 7.482 1.00 0.00 H new ATOM 0 HA ALA A 87 10.963 2.770 7.999 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.617 2.439 10.362 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.553 0.899 9.473 1.00 0.00 H new ATOM 0 HB3 ALA A 87 13.124 1.657 9.827 1.00 0.00 H new ATOM 1013 N LYS A 88 13.997 3.970 8.537 1.00 0.00 N ATOM 1014 CA LYS A 88 14.754 5.208 8.679 1.00 0.00 C ATOM 1015 C LYS A 88 14.611 6.075 7.432 1.00 0.00 C ATOM 1016 O LYS A 88 14.607 7.303 7.514 1.00 0.00 O ATOM 1017 CB LYS A 88 16.231 4.900 8.939 1.00 0.00 C ATOM 1018 CG LYS A 88 16.667 5.178 10.370 1.00 0.00 C ATOM 1019 CD LYS A 88 17.410 3.996 10.968 1.00 0.00 C ATOM 1020 CE LYS A 88 18.572 4.448 11.839 1.00 0.00 C ATOM 1021 NZ LYS A 88 19.779 3.600 11.639 1.00 0.00 N ATOM 0 H LYS A 88 14.566 3.124 8.554 1.00 0.00 H new ATOM 0 HA LYS A 88 14.352 5.758 9.530 1.00 0.00 H new ATOM 0 HB2 LYS A 88 16.422 3.852 8.707 1.00 0.00 H new ATOM 0 HB3 LYS A 88 16.843 5.494 8.260 1.00 0.00 H new ATOM 0 HG2 LYS A 88 17.308 6.060 10.391 1.00 0.00 H new ATOM 0 HG3 LYS A 88 15.793 5.405 10.980 1.00 0.00 H new ATOM 0 HD2 LYS A 88 16.721 3.395 11.562 1.00 0.00 H new ATOM 0 HD3 LYS A 88 17.782 3.356 10.168 1.00 0.00 H new ATOM 0 HE2 LYS A 88 18.815 5.485 11.610 1.00 0.00 H new ATOM 0 HE3 LYS A 88 18.274 4.414 12.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 20.548 3.941 12.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 19.555 2.614 11.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 20.079 3.652 10.644 1.00 0.00 H new ATOM 1035 N MET A 89 14.491 5.426 6.278 1.00 0.00 N ATOM 1036 CA MET A 89 14.345 6.137 5.013 1.00 0.00 C ATOM 1037 C MET A 89 13.102 7.020 5.026 1.00 0.00 C ATOM 1038 O MET A 89 13.181 8.222 4.771 1.00 0.00 O ATOM 1039 CB MET A 89 14.268 5.144 3.852 1.00 0.00 C ATOM 1040 CG MET A 89 14.522 5.776 2.492 1.00 0.00 C ATOM 1041 SD MET A 89 15.723 4.859 1.509 1.00 0.00 S ATOM 1042 CE MET A 89 14.640 3.845 0.506 1.00 0.00 C ATOM 0 H MET A 89 14.492 4.410 6.193 1.00 0.00 H new ATOM 0 HA MET A 89 15.219 6.774 4.879 1.00 0.00 H new ATOM 0 HB2 MET A 89 14.996 4.349 4.016 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.283 4.678 3.848 1.00 0.00 H new ATOM 0 HG2 MET A 89 13.582 5.838 1.944 1.00 0.00 H new ATOM 0 HG3 MET A 89 14.877 6.797 2.632 1.00 0.00 H new ATOM 0 HE1 MET A 89 15.154 2.923 0.234 1.00 0.00 H new ATOM 0 HE2 MET A 89 13.739 3.605 1.071 1.00 0.00 H new ATOM 0 HE3 MET A 89 14.367 4.389 -0.398 1.00 0.00 H new ATOM 1052 N ILE A 90 11.958 6.418 5.326 1.00 0.00 N ATOM 1053 CA ILE A 90 10.697 7.149 5.376 1.00 0.00 C ATOM 1054 C ILE A 90 10.769 8.293 6.382 1.00 0.00 C ATOM 1055 O ILE A 90 10.400 9.427 6.076 1.00 0.00 O ATOM 1056 CB ILE A 90 9.522 6.222 5.748 1.00 0.00 C ATOM 1057 CG1 ILE A 90 9.487 5.007 4.818 1.00 0.00 C ATOM 1058 CG2 ILE A 90 8.204 6.980 5.683 1.00 0.00 C ATOM 1059 CD1 ILE A 90 9.440 5.368 3.349 1.00 0.00 C ATOM 0 H ILE A 90 11.877 5.424 5.539 1.00 0.00 H new ATOM 0 HA ILE A 90 10.524 7.554 4.379 1.00 0.00 H new ATOM 0 HB ILE A 90 9.668 5.872 6.770 1.00 0.00 H new ATOM 0 HG12 ILE A 90 10.368 4.392 5.004 1.00 0.00 H new ATOM 0 HG13 ILE A 90 8.616 4.399 5.062 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.386 6.311 5.948 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.230 7.816 6.382 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.051 7.357 4.672 1.00 0.00 H new ATOM 0 HD11 ILE A 90 9.417 4.457 2.751 1.00 0.00 H new ATOM 0 HD12 ILE A 90 8.545 5.957 3.148 1.00 0.00 H new ATOM 0 HD13 ILE A 90 10.324 5.950 3.089 1.00 0.00 H new ATOM 1071 N GLN A 91 11.248 7.988 7.583 1.00 0.00 N ATOM 1072 CA GLN A 91 11.370 8.992 8.633 1.00 0.00 C ATOM 1073 C GLN A 91 12.369 10.074 8.237 1.00 0.00 C ATOM 1074 O GLN A 91 12.288 11.209 8.708 1.00 0.00 O ATOM 1075 CB GLN A 91 11.806 8.335 9.946 1.00 0.00 C ATOM 1076 CG GLN A 91 10.650 7.801 10.774 1.00 0.00 C ATOM 1077 CD GLN A 91 11.109 6.901 11.903 1.00 0.00 C ATOM 1078 OE1 GLN A 91 12.302 6.651 12.067 1.00 0.00 O ATOM 1079 NE2 GLN A 91 10.159 6.406 12.690 1.00 0.00 N ATOM 0 H GLN A 91 11.558 7.055 7.853 1.00 0.00 H new ATOM 0 HA GLN A 91 10.394 9.457 8.773 1.00 0.00 H new ATOM 0 HB2 GLN A 91 12.490 7.516 9.723 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.361 9.062 10.539 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.087 8.638 11.187 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.970 7.248 10.127 1.00 0.00 H new ATOM 0 HE21 GLN A 91 9.181 6.639 12.518 1.00 0.00 H new ATOM 0 HE22 GLN A 91 10.408 5.793 13.466 1.00 0.00 H new ATOM 1088 N GLU A 92 13.311 9.717 7.368 1.00 0.00 N ATOM 1089 CA GLU A 92 14.324 10.659 6.910 1.00 0.00 C ATOM 1090 C GLU A 92 13.767 11.574 5.823 1.00 0.00 C ATOM 1091 O GLU A 92 14.064 12.768 5.790 1.00 0.00 O ATOM 1092 CB GLU A 92 15.547 9.907 6.379 1.00 0.00 C ATOM 1093 CG GLU A 92 16.569 9.572 7.455 1.00 0.00 C ATOM 1094 CD GLU A 92 17.993 9.834 7.007 1.00 0.00 C ATOM 1095 OE1 GLU A 92 18.289 9.620 5.813 1.00 0.00 O ATOM 1096 OE2 GLU A 92 18.814 10.253 7.852 1.00 0.00 O ATOM 0 H GLU A 92 13.393 8.782 6.968 1.00 0.00 H new ATOM 0 HA GLU A 92 14.622 11.273 7.760 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.217 8.984 5.903 1.00 0.00 H new ATOM 0 HB3 GLU A 92 16.027 10.509 5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 92 16.358 10.161 8.347 1.00 0.00 H new ATOM 0 HG3 GLU A 92 16.467 8.523 7.734 1.00 0.00 H new ATOM 1103 N VAL A 93 12.958 11.005 4.935 1.00 0.00 N ATOM 1104 CA VAL A 93 12.359 11.769 3.846 1.00 0.00 C ATOM 1105 C VAL A 93 11.517 12.919 4.383 1.00 0.00 C ATOM 1106 O VAL A 93 10.838 12.784 5.400 1.00 0.00 O ATOM 1107 CB VAL A 93 11.477 10.879 2.951 1.00 0.00 C ATOM 1108 CG1 VAL A 93 11.072 11.624 1.686 1.00 0.00 C ATOM 1109 CG2 VAL A 93 12.197 9.583 2.609 1.00 0.00 C ATOM 0 H VAL A 93 12.702 10.018 4.948 1.00 0.00 H new ATOM 0 HA VAL A 93 13.181 12.167 3.251 1.00 0.00 H new ATOM 0 HB VAL A 93 10.570 10.629 3.502 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.449 10.978 1.067 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.511 12.519 1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 93 11.965 11.908 1.130 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.558 8.968 1.976 1.00 0.00 H new ATOM 0 HG22 VAL A 93 13.122 9.810 2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 93 12.428 9.042 3.527 1.00 0.00 H new ATOM 1119 N LYS A 94 11.565 14.054 3.691 1.00 0.00 N ATOM 1120 CA LYS A 94 10.805 15.229 4.101 1.00 0.00 C ATOM 1121 C LYS A 94 9.889 15.704 2.978 1.00 0.00 C ATOM 1122 O LYS A 94 10.100 15.375 1.810 1.00 0.00 O ATOM 1123 CB LYS A 94 11.751 16.356 4.517 1.00 0.00 C ATOM 1124 CG LYS A 94 12.747 15.950 5.592 1.00 0.00 C ATOM 1125 CD LYS A 94 12.724 16.912 6.768 1.00 0.00 C ATOM 1126 CE LYS A 94 13.854 16.626 7.745 1.00 0.00 C ATOM 1127 NZ LYS A 94 15.188 16.891 7.143 1.00 0.00 N ATOM 0 H LYS A 94 12.121 14.184 2.846 1.00 0.00 H new ATOM 0 HA LYS A 94 10.187 14.951 4.955 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.297 16.703 3.640 1.00 0.00 H new ATOM 0 HB3 LYS A 94 11.162 17.198 4.879 1.00 0.00 H new ATOM 0 HG2 LYS A 94 12.517 14.943 5.940 1.00 0.00 H new ATOM 0 HG3 LYS A 94 13.750 15.919 5.166 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.807 17.936 6.403 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.767 16.834 7.284 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.729 17.242 8.635 1.00 0.00 H new ATOM 0 HE3 LYS A 94 13.801 15.586 8.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 15.900 16.967 7.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 15.442 16.111 6.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 15.156 17.781 6.606 1.00 0.00 H new ATOM 1141 N GLY A 95 8.871 16.478 3.339 1.00 0.00 N ATOM 1142 CA GLY A 95 7.938 16.986 2.350 1.00 0.00 C ATOM 1143 C GLY A 95 6.967 15.924 1.874 1.00 0.00 C ATOM 1144 O GLY A 95 6.482 15.115 2.666 1.00 0.00 O ATOM 0 H GLY A 95 8.675 16.763 4.299 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.380 17.820 2.775 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.493 17.376 1.497 1.00 0.00 H new ATOM 1148 N GLU A 96 6.681 15.926 0.576 1.00 0.00 N ATOM 1149 CA GLU A 96 5.761 14.953 -0.005 1.00 0.00 C ATOM 1150 C GLU A 96 6.473 13.634 -0.286 1.00 0.00 C ATOM 1151 O GLU A 96 7.137 13.482 -1.312 1.00 0.00 O ATOM 1152 CB GLU A 96 5.151 15.504 -1.296 1.00 0.00 C ATOM 1153 CG GLU A 96 6.182 15.829 -2.364 1.00 0.00 C ATOM 1154 CD GLU A 96 5.848 17.096 -3.129 1.00 0.00 C ATOM 1155 OE1 GLU A 96 5.681 18.152 -2.483 1.00 0.00 O ATOM 1156 OE2 GLU A 96 5.755 17.032 -4.372 1.00 0.00 O ATOM 0 H GLU A 96 7.072 16.589 -0.093 1.00 0.00 H new ATOM 0 HA GLU A 96 4.963 14.768 0.714 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.444 14.776 -1.694 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.583 16.405 -1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.161 15.938 -1.898 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.252 14.995 -3.062 1.00 0.00 H new ATOM 1163 N VAL A 97 6.328 12.683 0.630 1.00 0.00 N ATOM 1164 CA VAL A 97 6.957 11.375 0.479 1.00 0.00 C ATOM 1165 C VAL A 97 6.155 10.485 -0.463 1.00 0.00 C ATOM 1166 O VAL A 97 4.930 10.576 -0.526 1.00 0.00 O ATOM 1167 CB VAL A 97 7.104 10.665 1.838 1.00 0.00 C ATOM 1168 CG1 VAL A 97 7.919 9.388 1.689 1.00 0.00 C ATOM 1169 CG2 VAL A 97 7.736 11.595 2.863 1.00 0.00 C ATOM 0 H VAL A 97 5.781 12.792 1.484 1.00 0.00 H new ATOM 0 HA VAL A 97 7.947 11.546 0.057 1.00 0.00 H new ATOM 0 HB VAL A 97 6.110 10.394 2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.012 8.900 2.659 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.418 8.716 0.992 1.00 0.00 H new ATOM 0 HG13 VAL A 97 8.911 9.632 1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 97 7.831 11.075 3.816 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.723 11.901 2.517 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.107 12.476 2.992 1.00 0.00 H new ATOM 1179 N THR A 98 6.855 9.626 -1.196 1.00 0.00 N ATOM 1180 CA THR A 98 6.207 8.719 -2.136 1.00 0.00 C ATOM 1181 C THR A 98 6.627 7.276 -1.878 1.00 0.00 C ATOM 1182 O THR A 98 7.782 7.004 -1.556 1.00 0.00 O ATOM 1183 CB THR A 98 6.549 9.113 -3.575 1.00 0.00 C ATOM 1184 OG1 THR A 98 6.494 10.519 -3.736 1.00 0.00 O ATOM 1185 CG2 THR A 98 5.623 8.495 -4.601 1.00 0.00 C ATOM 0 H THR A 98 7.871 9.539 -1.157 1.00 0.00 H new ATOM 0 HA THR A 98 5.129 8.795 -1.992 1.00 0.00 H new ATOM 0 HB THR A 98 7.557 8.736 -3.747 1.00 0.00 H new ATOM 0 HG1 THR A 98 5.735 10.753 -4.309 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.921 8.815 -5.599 1.00 0.00 H new ATOM 0 HG22 THR A 98 5.681 7.408 -4.536 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.599 8.816 -4.407 1.00 0.00 H new ATOM 1193 N ILE A 99 5.679 6.355 -2.020 1.00 0.00 N ATOM 1194 CA ILE A 99 5.950 4.941 -1.802 1.00 0.00 C ATOM 1195 C ILE A 99 5.288 4.081 -2.875 1.00 0.00 C ATOM 1196 O ILE A 99 4.093 4.213 -3.141 1.00 0.00 O ATOM 1197 CB ILE A 99 5.458 4.481 -0.415 1.00 0.00 C ATOM 1198 CG1 ILE A 99 6.041 5.379 0.678 1.00 0.00 C ATOM 1199 CG2 ILE A 99 5.834 3.027 -0.169 1.00 0.00 C ATOM 1200 CD1 ILE A 99 5.275 6.668 0.874 1.00 0.00 C ATOM 0 H ILE A 99 4.717 6.564 -2.285 1.00 0.00 H new ATOM 0 HA ILE A 99 7.031 4.815 -1.856 1.00 0.00 H new ATOM 0 HB ILE A 99 4.371 4.561 -0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.057 4.829 1.619 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.076 5.615 0.429 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.478 2.721 0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.376 2.398 -0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.918 2.919 -0.213 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.745 7.254 1.664 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.281 7.239 -0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.246 6.441 1.154 1.00 0.00 H new ATOM 1212 N HIS A 100 6.074 3.202 -3.488 1.00 0.00 N ATOM 1213 CA HIS A 100 5.565 2.319 -4.531 1.00 0.00 C ATOM 1214 C HIS A 100 5.020 1.028 -3.928 1.00 0.00 C ATOM 1215 O HIS A 100 5.765 0.079 -3.690 1.00 0.00 O ATOM 1216 CB HIS A 100 6.669 1.999 -5.541 1.00 0.00 C ATOM 1217 CG HIS A 100 7.354 3.215 -6.083 1.00 0.00 C ATOM 1218 ND1 HIS A 100 7.289 3.589 -7.410 1.00 0.00 N ATOM 1219 CD2 HIS A 100 8.123 4.147 -5.470 1.00 0.00 C ATOM 1220 CE1 HIS A 100 7.987 4.696 -7.588 1.00 0.00 C ATOM 1221 NE2 HIS A 100 8.503 5.054 -6.428 1.00 0.00 N ATOM 0 H HIS A 100 7.065 3.082 -3.281 1.00 0.00 H new ATOM 0 HA HIS A 100 4.752 2.832 -5.045 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.410 1.356 -5.066 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.240 1.434 -6.369 1.00 0.00 H new ATOM 0 HD2 HIS A 100 8.388 4.172 -4.423 1.00 0.00 H new ATOM 0 HE1 HIS A 100 8.114 5.219 -8.524 1.00 0.00 H new ATOM 0 HE2 HIS A 100 9.090 5.873 -6.268 1.00 0.00 H new ATOM 1230 N TYR A 101 3.713 1.002 -3.683 1.00 0.00 N ATOM 1231 CA TYR A 101 3.068 -0.173 -3.106 1.00 0.00 C ATOM 1232 C TYR A 101 2.521 -1.087 -4.198 1.00 0.00 C ATOM 1233 O TYR A 101 2.424 -0.696 -5.361 1.00 0.00 O ATOM 1234 CB TYR A 101 1.938 0.254 -2.164 1.00 0.00 C ATOM 1235 CG TYR A 101 0.745 0.853 -2.876 1.00 0.00 C ATOM 1236 CD1 TYR A 101 0.755 2.177 -3.299 1.00 0.00 C ATOM 1237 CD2 TYR A 101 -0.391 0.093 -3.125 1.00 0.00 C ATOM 1238 CE1 TYR A 101 -0.333 2.725 -3.951 1.00 0.00 C ATOM 1239 CE2 TYR A 101 -1.483 0.636 -3.777 1.00 0.00 C ATOM 1240 CZ TYR A 101 -1.450 1.951 -4.187 1.00 0.00 C ATOM 1241 OH TYR A 101 -2.536 2.492 -4.838 1.00 0.00 O ATOM 0 H TYR A 101 3.081 1.779 -3.875 1.00 0.00 H new ATOM 0 HA TYR A 101 3.816 -0.727 -2.539 1.00 0.00 H new ATOM 0 HB2 TYR A 101 1.610 -0.612 -1.589 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.327 0.981 -1.451 1.00 0.00 H new ATOM 0 HD1 TYR A 101 1.627 2.787 -3.115 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.422 -0.938 -2.804 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -0.309 3.755 -4.274 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.358 0.032 -3.964 1.00 0.00 H new ATOM 0 HH TYR A 101 -3.237 1.813 -4.925 1.00 0.00 H new ATOM 1251 N ASN A 102 2.163 -2.308 -3.813 1.00 0.00 N ATOM 1252 CA ASN A 102 1.620 -3.281 -4.755 1.00 0.00 C ATOM 1253 C ASN A 102 0.408 -3.993 -4.163 1.00 0.00 C ATOM 1254 O ASN A 102 0.526 -4.735 -3.189 1.00 0.00 O ATOM 1255 CB ASN A 102 2.692 -4.305 -5.137 1.00 0.00 C ATOM 1256 CG ASN A 102 3.456 -3.905 -6.383 1.00 0.00 C ATOM 1257 OD1 ASN A 102 3.311 -4.520 -7.438 1.00 0.00 O ATOM 1258 ND2 ASN A 102 4.278 -2.868 -6.266 1.00 0.00 N ATOM 0 H ASN A 102 2.239 -2.648 -2.854 1.00 0.00 H new ATOM 0 HA ASN A 102 1.303 -2.746 -5.650 1.00 0.00 H new ATOM 0 HB2 ASN A 102 3.390 -4.422 -4.308 1.00 0.00 H new ATOM 0 HB3 ASN A 102 2.222 -5.275 -5.298 1.00 0.00 H new ATOM 0 HD21 ASN A 102 4.820 -2.553 -7.071 1.00 0.00 H new ATOM 0 HD22 ASN A 102 4.368 -2.387 -5.371 1.00 0.00 H new ATOM 1265 N LYS A 103 -0.758 -3.759 -4.757 1.00 0.00 N ATOM 1266 CA LYS A 103 -1.993 -4.377 -4.288 1.00 0.00 C ATOM 1267 C LYS A 103 -2.017 -5.867 -4.615 1.00 0.00 C ATOM 1268 O LYS A 103 -1.575 -6.286 -5.684 1.00 0.00 O ATOM 1269 CB LYS A 103 -3.205 -3.687 -4.916 1.00 0.00 C ATOM 1270 CG LYS A 103 -3.407 -2.258 -4.436 1.00 0.00 C ATOM 1271 CD LYS A 103 -4.881 -1.939 -4.241 1.00 0.00 C ATOM 1272 CE LYS A 103 -5.286 -2.055 -2.781 1.00 0.00 C ATOM 1273 NZ LYS A 103 -6.676 -2.567 -2.630 1.00 0.00 N ATOM 0 H LYS A 103 -0.873 -3.146 -5.564 1.00 0.00 H new ATOM 0 HA LYS A 103 -2.037 -4.261 -3.205 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -3.090 -3.685 -6.000 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.100 -4.267 -4.691 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -2.874 -2.110 -3.497 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -2.976 -1.566 -5.159 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -5.087 -0.930 -4.598 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -5.484 -2.619 -4.842 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -4.595 -2.722 -2.264 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.205 -1.079 -2.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.914 -2.632 -1.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.338 -1.918 -3.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.748 -3.510 -3.064 1.00 0.00 H new ATOM 1287 N LEU A 104 -2.538 -6.662 -3.685 1.00 0.00 N ATOM 1288 CA LEU A 104 -2.622 -8.106 -3.873 1.00 0.00 C ATOM 1289 C LEU A 104 -3.959 -8.642 -3.369 1.00 0.00 C ATOM 1290 O LEU A 104 -4.499 -8.159 -2.374 1.00 0.00 O ATOM 1291 CB LEU A 104 -1.473 -8.806 -3.144 1.00 0.00 C ATOM 1292 CG LEU A 104 -0.082 -8.232 -3.424 1.00 0.00 C ATOM 1293 CD1 LEU A 104 0.358 -7.321 -2.288 1.00 0.00 C ATOM 1294 CD2 LEU A 104 0.927 -9.352 -3.632 1.00 0.00 C ATOM 0 H LEU A 104 -2.908 -6.330 -2.794 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.545 -8.313 -4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.660 -8.757 -2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.477 -9.860 -3.420 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.132 -7.641 -4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.349 -6.922 -2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.350 -6.498 -2.186 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.391 -7.889 -1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.910 -8.924 -3.830 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.974 -9.970 -2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.621 -9.965 -4.480 1.00 0.00 H new TER 1306 LEU A 104 ATOM 1307 N GLU B 121 8.448 -8.221 15.265 1.00 0.00 N ATOM 1308 CA GLU B 121 9.182 -6.978 15.468 1.00 0.00 C ATOM 1309 C GLU B 121 9.038 -6.056 14.261 1.00 0.00 C ATOM 1310 O GLU B 121 9.852 -6.094 13.337 1.00 0.00 O ATOM 1311 CB GLU B 121 10.662 -7.274 15.731 1.00 0.00 C ATOM 1312 CG GLU B 121 11.191 -6.641 17.009 1.00 0.00 C ATOM 1313 CD GLU B 121 12.635 -7.009 17.285 1.00 0.00 C ATOM 1314 OE1 GLU B 121 12.985 -8.198 17.136 1.00 0.00 O ATOM 1315 OE2 GLU B 121 13.417 -6.106 17.652 1.00 0.00 O ATOM 0 HA GLU B 121 8.760 -6.472 16.337 1.00 0.00 H new ATOM 0 HB2 GLU B 121 10.804 -8.353 15.784 1.00 0.00 H new ATOM 0 HB3 GLU B 121 11.251 -6.916 14.887 1.00 0.00 H new ATOM 0 HG2 GLU B 121 11.103 -5.557 16.937 1.00 0.00 H new ATOM 0 HG3 GLU B 121 10.572 -6.956 17.849 1.00 0.00 H new ATOM 1322 N SER B 122 7.997 -5.230 14.275 1.00 0.00 N ATOM 1323 CA SER B 122 7.744 -4.299 13.182 1.00 0.00 C ATOM 1324 C SER B 122 8.112 -2.874 13.584 1.00 0.00 C ATOM 1325 O SER B 122 7.875 -2.457 14.717 1.00 0.00 O ATOM 1326 CB SER B 122 6.276 -4.360 12.761 1.00 0.00 C ATOM 1327 OG SER B 122 5.438 -3.783 13.746 1.00 0.00 O ATOM 0 H SER B 122 7.315 -5.187 15.032 1.00 0.00 H new ATOM 0 HA SER B 122 8.368 -4.591 12.338 1.00 0.00 H new ATOM 0 HB2 SER B 122 6.144 -3.836 11.815 1.00 0.00 H new ATOM 0 HB3 SER B 122 5.985 -5.397 12.594 1.00 0.00 H new ATOM 0 HG SER B 122 4.505 -3.833 13.452 1.00 0.00 H new ATOM 1333 N VAL B 123 8.692 -2.131 12.646 1.00 0.00 N ATOM 1334 CA VAL B 123 9.091 -0.752 12.899 1.00 0.00 C ATOM 1335 C VAL B 123 8.041 0.226 12.384 1.00 0.00 C ATOM 1336 O VAL B 123 7.782 0.297 11.182 1.00 0.00 O ATOM 1337 CB VAL B 123 10.446 -0.431 12.242 1.00 0.00 C ATOM 1338 CG1 VAL B 123 10.932 0.948 12.664 1.00 0.00 C ATOM 1339 CG2 VAL B 123 11.474 -1.495 12.587 1.00 0.00 C ATOM 0 H VAL B 123 8.896 -2.462 11.703 1.00 0.00 H new ATOM 0 HA VAL B 123 9.186 -0.641 13.979 1.00 0.00 H new ATOM 0 HB VAL B 123 10.311 -0.428 11.160 1.00 0.00 H new ATOM 0 HG11 VAL B 123 11.891 1.157 12.190 1.00 0.00 H new ATOM 0 HG12 VAL B 123 10.204 1.700 12.358 1.00 0.00 H new ATOM 0 HG13 VAL B 123 11.049 0.977 13.747 1.00 0.00 H new ATOM 0 HG21 VAL B 123 12.425 -1.250 12.113 1.00 0.00 H new ATOM 0 HG22 VAL B 123 11.607 -1.535 13.668 1.00 0.00 H new ATOM 0 HG23 VAL B 123 11.129 -2.464 12.228 1.00 0.00 H new ATOM 1349 N LYS B 124 7.442 0.981 13.299 1.00 0.00 N ATOM 1350 CA LYS B 124 6.420 1.956 12.935 1.00 0.00 C ATOM 1351 C LYS B 124 7.056 3.237 12.404 1.00 0.00 C ATOM 1352 O LYS B 124 8.037 3.731 12.960 1.00 0.00 O ATOM 1353 CB LYS B 124 5.538 2.275 14.144 1.00 0.00 C ATOM 1354 CG LYS B 124 4.112 2.652 13.774 1.00 0.00 C ATOM 1355 CD LYS B 124 3.693 3.960 14.428 1.00 0.00 C ATOM 1356 CE LYS B 124 4.241 5.161 13.678 1.00 0.00 C ATOM 1357 NZ LYS B 124 3.276 5.675 12.667 1.00 0.00 N ATOM 0 H LYS B 124 7.646 0.937 14.297 1.00 0.00 H new ATOM 0 HA LYS B 124 5.803 1.523 12.147 1.00 0.00 H new ATOM 0 HB2 LYS B 124 5.516 1.409 14.806 1.00 0.00 H new ATOM 0 HB3 LYS B 124 5.988 3.094 14.705 1.00 0.00 H new ATOM 0 HG2 LYS B 124 4.028 2.742 12.691 1.00 0.00 H new ATOM 0 HG3 LYS B 124 3.433 1.857 14.081 1.00 0.00 H new ATOM 0 HD2 LYS B 124 2.605 4.018 14.463 1.00 0.00 H new ATOM 0 HD3 LYS B 124 4.047 3.982 15.459 1.00 0.00 H new ATOM 0 HE2 LYS B 124 4.479 5.954 14.387 1.00 0.00 H new ATOM 0 HE3 LYS B 124 5.172 4.885 13.183 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 3.724 5.675 11.728 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 2.434 5.065 12.649 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 2.996 6.645 12.916 1.00 0.00 H new ATOM 1371 N ILE B 125 6.490 3.769 11.326 1.00 0.00 N ATOM 1372 CA ILE B 125 7.002 4.993 10.720 1.00 0.00 C ATOM 1373 C ILE B 125 5.886 5.776 10.037 1.00 0.00 C ATOM 1374 O ILE B 125 4.838 5.168 9.731 1.00 0.00 O ATOM 1375 CB ILE B 125 8.107 4.692 9.690 1.00 0.00 C ATOM 1376 CG1 ILE B 125 7.624 3.656 8.674 1.00 0.00 C ATOM 1377 CG2 ILE B 125 9.367 4.207 10.393 1.00 0.00 C ATOM 1378 CD1 ILE B 125 7.068 4.267 7.407 1.00 0.00 C ATOM 1379 OXT ILE B 125 6.070 6.991 9.813 1.00 0.00 O ATOM 0 H ILE B 125 5.677 3.372 10.854 1.00 0.00 H new ATOM 0 HA ILE B 125 7.423 5.593 11.527 1.00 0.00 H new ATOM 0 HB ILE B 125 8.343 5.612 9.155 1.00 0.00 H new ATOM 0 HG12 ILE B 125 8.453 2.997 8.417 1.00 0.00 H new ATOM 0 HG13 ILE B 125 6.856 3.036 9.136 1.00 0.00 H new ATOM 0 HG21 ILE B 125 10.139 3.998 9.653 1.00 0.00 H new ATOM 0 HG22 ILE B 125 9.720 4.977 11.079 1.00 0.00 H new ATOM 0 HG23 ILE B 125 9.145 3.298 10.952 1.00 0.00 H new ATOM 0 HD11 ILE B 125 6.745 3.474 6.732 1.00 0.00 H new ATOM 0 HD12 ILE B 125 6.218 4.904 7.653 1.00 0.00 H new ATOM 0 HD13 ILE B 125 7.840 4.864 6.922 1.00 0.00 H new TER 1391 ILE B 125