USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 665 hydrogens (39 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 Single : A 1 ALA N :NH3+ -122:sc= 1.1 (180deg=-0.877!) USER MOD Single : A 2 LYS NZ :NH3+ -150:sc= -0.152 (180deg=-1.14!) USER MOD Single : A 3 LYS NZ :NH3+ 165:sc= -0.0116 (180deg=-0.288) USER MOD Single : A 5 THR OG1 : rot -128:sc= 0.298 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -80:sc= -0.491 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -123:sc= -1.57 (180deg=-4.62!) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.427 USER MOD Single : A 29 SER OG : rot -38:sc= 1.2 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00457) USER MOD Single : A 41 THR OG1 : rot 72:sc= 1.37 USER MOD Single : A 46 MET CE :methyl -115:sc= -0.419 (180deg=-2.17!) USER MOD Single : A 47 ASN : amide:sc= -1.8! X(o=-1.8!,f=-1.8) USER MOD Single : A 55 ASN : amide:sc= -0.69 X(o=-0.69,f=-0.57) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN :FLIP amide:sc= -17.6! C(o=-23!,f=-18!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 132:sc= 0.088 USER MOD Single : A 68 GLN :FLIP amide:sc= -1.5 F(o=-6.8!,f=-1.5) USER MOD Single : A 69 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.15) USER MOD Single : A 80 LYS NZ :NH3+ 162:sc= -0.0563 (180deg=-0.525) USER MOD Single : A 81 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.0134) USER MOD Single : A 101 PNS O33 : rot 109:sc= 0.528 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.499 -7.599 1.763 1.00 1.00 N ATOM 2 CA ALA A 1 -9.076 -7.537 0.335 1.00 1.00 C ATOM 3 C ALA A 1 -8.698 -8.937 -0.140 1.00 1.00 C ATOM 4 O ALA A 1 -8.294 -9.785 0.655 1.00 1.00 O ATOM 5 CB ALA A 1 -7.876 -6.598 0.203 1.00 1.00 C ATOM 0 H1 ALA A 1 -10.468 -7.232 1.854 1.00 1.00 H new ATOM 0 H2 ALA A 1 -9.470 -8.585 2.091 1.00 1.00 H new ATOM 0 H3 ALA A 1 -8.855 -7.023 2.341 1.00 1.00 H new ATOM 0 HA ALA A 1 -9.895 -7.160 -0.278 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -7.564 -6.551 -0.840 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.155 -5.601 0.544 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -7.052 -6.972 0.811 1.00 1.00 H new ATOM 13 N LYS A 2 -8.830 -9.173 -1.441 1.00 1.00 N ATOM 14 CA LYS A 2 -8.499 -10.476 -2.009 1.00 1.00 C ATOM 15 C LYS A 2 -6.986 -10.635 -2.106 1.00 1.00 C ATOM 16 O LYS A 2 -6.239 -9.669 -1.967 1.00 1.00 O ATOM 17 CB LYS A 2 -9.119 -10.611 -3.407 1.00 1.00 C ATOM 18 CG LYS A 2 -9.028 -9.258 -4.145 1.00 1.00 C ATOM 19 CD LYS A 2 -10.309 -8.432 -3.898 1.00 1.00 C ATOM 20 CE LYS A 2 -11.367 -8.813 -4.934 1.00 1.00 C ATOM 21 NZ LYS A 2 -10.880 -8.442 -6.291 1.00 1.00 N ATOM 0 H LYS A 2 -9.161 -8.486 -2.118 1.00 1.00 H new ATOM 0 HA LYS A 2 -8.901 -11.254 -1.360 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -8.598 -11.382 -3.974 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -10.160 -10.923 -3.326 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -8.156 -8.704 -3.798 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -8.895 -9.426 -5.214 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -10.686 -8.617 -2.892 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -10.087 -7.367 -3.964 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -11.570 -9.883 -4.887 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -12.305 -8.301 -4.719 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -11.691 -8.211 -6.900 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -10.253 -7.615 -6.221 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -10.355 -9.240 -6.702 1.00 1.00 H new ATOM 35 N LYS A 3 -6.546 -11.860 -2.350 1.00 1.00 N ATOM 36 CA LYS A 3 -5.120 -12.141 -2.467 1.00 1.00 C ATOM 37 C LYS A 3 -4.529 -11.432 -3.680 1.00 1.00 C ATOM 38 O LYS A 3 -3.344 -11.098 -3.696 1.00 1.00 O ATOM 39 CB LYS A 3 -4.898 -13.650 -2.605 1.00 1.00 C ATOM 40 CG LYS A 3 -5.898 -14.237 -3.636 1.00 1.00 C ATOM 41 CD LYS A 3 -7.027 -14.971 -2.908 1.00 1.00 C ATOM 42 CE LYS A 3 -8.088 -15.399 -3.916 1.00 1.00 C ATOM 43 NZ LYS A 3 -7.504 -16.404 -4.847 1.00 1.00 N ATOM 0 H LYS A 3 -7.151 -12.673 -2.471 1.00 1.00 H new ATOM 0 HA LYS A 3 -4.623 -11.776 -1.568 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -3.875 -13.849 -2.924 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -5.031 -14.136 -1.639 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -6.310 -13.437 -4.252 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -5.381 -14.922 -4.308 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -6.632 -15.843 -2.387 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -7.469 -14.322 -2.152 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -8.948 -15.823 -3.398 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -8.446 -14.534 -4.474 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -8.268 -16.883 -5.365 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -6.875 -15.926 -5.523 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -6.961 -17.105 -4.304 1.00 1.00 H new ATOM 57 N GLU A 4 -5.357 -11.212 -4.696 1.00 1.00 N ATOM 58 CA GLU A 4 -4.897 -10.549 -5.908 1.00 1.00 C ATOM 59 C GLU A 4 -4.520 -9.102 -5.618 1.00 1.00 C ATOM 60 O GLU A 4 -3.495 -8.616 -6.092 1.00 1.00 O ATOM 61 CB GLU A 4 -5.995 -10.584 -6.972 1.00 1.00 C ATOM 62 CG GLU A 4 -6.226 -12.029 -7.420 1.00 1.00 C ATOM 63 CD GLU A 4 -7.377 -12.088 -8.419 1.00 1.00 C ATOM 64 OE1 GLU A 4 -7.892 -11.037 -8.762 1.00 1.00 O ATOM 65 OE2 GLU A 4 -7.727 -13.184 -8.823 1.00 1.00 O ATOM 0 H GLU A 4 -6.341 -11.481 -4.704 1.00 1.00 H new ATOM 0 HA GLU A 4 -4.017 -11.077 -6.274 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -6.918 -10.164 -6.571 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -5.709 -9.969 -7.825 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -5.319 -12.427 -7.874 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -6.451 -12.655 -6.556 1.00 1.00 H new ATOM 72 N THR A 5 -5.356 -8.416 -4.845 1.00 1.00 N ATOM 73 CA THR A 5 -5.104 -7.020 -4.504 1.00 1.00 C ATOM 74 C THR A 5 -3.792 -6.875 -3.743 1.00 1.00 C ATOM 75 O THR A 5 -2.985 -5.996 -4.038 1.00 1.00 O ATOM 76 CB THR A 5 -6.251 -6.475 -3.649 1.00 1.00 C ATOM 77 OG1 THR A 5 -7.463 -6.560 -4.384 1.00 1.00 O ATOM 78 CG2 THR A 5 -5.978 -5.013 -3.289 1.00 1.00 C ATOM 0 H THR A 5 -6.211 -8.802 -4.444 1.00 1.00 H new ATOM 0 HA THR A 5 -5.036 -6.451 -5.431 1.00 1.00 H new ATOM 0 HB THR A 5 -6.332 -7.062 -2.734 1.00 1.00 H new ATOM 0 HG1 THR A 5 -7.911 -5.689 -4.378 1.00 1.00 H new ATOM 0 HG21 THR A 5 -6.797 -4.629 -2.681 1.00 1.00 H new ATOM 0 HG22 THR A 5 -5.046 -4.944 -2.728 1.00 1.00 H new ATOM 0 HG23 THR A 5 -5.897 -4.423 -4.202 1.00 1.00 H new ATOM 86 N ILE A 6 -3.585 -7.746 -2.762 1.00 1.00 N ATOM 87 CA ILE A 6 -2.368 -7.706 -1.962 1.00 1.00 C ATOM 88 C ILE A 6 -1.138 -7.823 -2.855 1.00 1.00 C ATOM 89 O ILE A 6 -0.108 -7.203 -2.591 1.00 1.00 O ATOM 90 CB ILE A 6 -2.369 -8.851 -0.947 1.00 1.00 C ATOM 91 CG1 ILE A 6 -3.637 -8.769 -0.089 1.00 1.00 C ATOM 92 CG2 ILE A 6 -1.137 -8.743 -0.046 1.00 1.00 C ATOM 93 CD1 ILE A 6 -3.759 -10.022 0.785 1.00 1.00 C ATOM 0 H ILE A 6 -4.240 -8.484 -2.503 1.00 1.00 H new ATOM 0 HA ILE A 6 -2.335 -6.753 -1.435 1.00 1.00 H new ATOM 0 HB ILE A 6 -2.346 -9.803 -1.477 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -3.604 -7.879 0.539 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -4.514 -8.675 -0.729 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -1.141 -9.560 0.676 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -0.235 -8.801 -0.655 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -1.156 -7.791 0.484 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -4.662 -9.956 1.391 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -3.813 -10.905 0.149 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -2.889 -10.097 1.437 1.00 1.00 H new ATOM 105 N ASP A 7 -1.251 -8.623 -3.909 1.00 1.00 N ATOM 106 CA ASP A 7 -0.142 -8.813 -4.833 1.00 1.00 C ATOM 107 C ASP A 7 0.199 -7.506 -5.538 1.00 1.00 C ATOM 108 O ASP A 7 1.370 -7.199 -5.762 1.00 1.00 O ATOM 109 CB ASP A 7 -0.503 -9.877 -5.871 1.00 1.00 C ATOM 110 CG ASP A 7 0.703 -10.173 -6.757 1.00 1.00 C ATOM 111 OD1 ASP A 7 1.789 -9.740 -6.408 1.00 1.00 O ATOM 112 OD2 ASP A 7 0.523 -10.829 -7.769 1.00 1.00 O ATOM 0 H ASP A 7 -2.094 -9.147 -4.143 1.00 1.00 H new ATOM 0 HA ASP A 7 0.727 -9.142 -4.264 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -0.829 -10.789 -5.371 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -1.337 -9.532 -6.482 1.00 1.00 H new ATOM 117 N LYS A 8 -0.829 -6.746 -5.896 1.00 1.00 N ATOM 118 CA LYS A 8 -0.617 -5.484 -6.588 1.00 1.00 C ATOM 119 C LYS A 8 0.103 -4.486 -5.695 1.00 1.00 C ATOM 120 O LYS A 8 1.121 -3.913 -6.084 1.00 1.00 O ATOM 121 CB LYS A 8 -1.960 -4.898 -7.005 1.00 1.00 C ATOM 122 CG LYS A 8 -2.771 -5.953 -7.786 1.00 1.00 C ATOM 123 CD LYS A 8 -3.731 -5.265 -8.772 1.00 1.00 C ATOM 124 CE LYS A 8 -2.985 -4.914 -10.064 1.00 1.00 C ATOM 125 NZ LYS A 8 -3.945 -4.366 -11.055 1.00 1.00 N ATOM 0 H LYS A 8 -1.806 -6.979 -5.721 1.00 1.00 H new ATOM 0 HA LYS A 8 -0.001 -5.677 -7.466 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -2.516 -4.577 -6.124 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -1.805 -4.014 -7.624 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -2.094 -6.614 -8.328 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -3.336 -6.575 -7.092 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -4.572 -5.922 -8.994 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -4.143 -4.362 -8.322 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -2.202 -4.184 -9.858 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -2.496 -5.801 -10.467 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -3.440 -4.127 -11.932 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -4.677 -5.076 -11.259 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -4.392 -3.510 -10.669 1.00 1.00 H new ATOM 139 N VAL A 9 -0.432 -4.280 -4.499 1.00 1.00 N ATOM 140 CA VAL A 9 0.171 -3.344 -3.563 1.00 1.00 C ATOM 141 C VAL A 9 1.543 -3.838 -3.117 1.00 1.00 C ATOM 142 O VAL A 9 2.508 -3.080 -3.094 1.00 1.00 O ATOM 143 CB VAL A 9 -0.733 -3.169 -2.338 1.00 1.00 C ATOM 144 CG1 VAL A 9 -0.260 -1.969 -1.504 1.00 1.00 C ATOM 145 CG2 VAL A 9 -2.178 -2.936 -2.796 1.00 1.00 C ATOM 0 H VAL A 9 -1.274 -4.744 -4.157 1.00 1.00 H new ATOM 0 HA VAL A 9 0.289 -2.385 -4.067 1.00 1.00 H new ATOM 0 HB VAL A 9 -0.684 -4.070 -1.727 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -0.908 -1.852 -0.635 1.00 1.00 H new ATOM 0 HG12 VAL A 9 0.765 -2.138 -1.172 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -0.301 -1.065 -2.112 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -2.820 -2.812 -1.924 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -2.224 -2.038 -3.412 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -2.518 -3.793 -3.378 1.00 1.00 H new ATOM 155 N SER A 10 1.620 -5.112 -2.765 1.00 1.00 N ATOM 156 CA SER A 10 2.879 -5.693 -2.316 1.00 1.00 C ATOM 157 C SER A 10 3.934 -5.605 -3.413 1.00 1.00 C ATOM 158 O SER A 10 5.110 -5.363 -3.139 1.00 1.00 O ATOM 159 CB SER A 10 2.669 -7.156 -1.929 1.00 1.00 C ATOM 160 OG SER A 10 2.294 -7.897 -3.081 1.00 1.00 O ATOM 0 H SER A 10 0.833 -5.761 -2.781 1.00 1.00 H new ATOM 0 HA SER A 10 3.225 -5.131 -1.448 1.00 1.00 H new ATOM 0 HB2 SER A 10 3.584 -7.566 -1.501 1.00 1.00 H new ATOM 0 HB3 SER A 10 1.896 -7.235 -1.164 1.00 1.00 H new ATOM 0 HG SER A 10 1.340 -7.763 -3.260 1.00 1.00 H new ATOM 166 N ASP A 11 3.507 -5.807 -4.654 1.00 1.00 N ATOM 167 CA ASP A 11 4.427 -5.752 -5.781 1.00 1.00 C ATOM 168 C ASP A 11 5.028 -4.357 -5.911 1.00 1.00 C ATOM 169 O ASP A 11 6.225 -4.209 -6.136 1.00 1.00 O ATOM 170 CB ASP A 11 3.686 -6.122 -7.074 1.00 1.00 C ATOM 171 CG ASP A 11 3.542 -7.639 -7.192 1.00 1.00 C ATOM 172 OD1 ASP A 11 4.093 -8.338 -6.355 1.00 1.00 O ATOM 173 OD2 ASP A 11 2.884 -8.080 -8.120 1.00 1.00 O ATOM 0 H ASP A 11 2.539 -6.008 -4.903 1.00 1.00 H new ATOM 0 HA ASP A 11 5.234 -6.465 -5.609 1.00 1.00 H new ATOM 0 HB2 ASP A 11 2.701 -5.655 -7.082 1.00 1.00 H new ATOM 0 HB3 ASP A 11 4.229 -5.734 -7.936 1.00 1.00 H new ATOM 178 N ILE A 12 4.195 -3.340 -5.774 1.00 1.00 N ATOM 179 CA ILE A 12 4.665 -1.967 -5.875 1.00 1.00 C ATOM 180 C ILE A 12 5.493 -1.588 -4.651 1.00 1.00 C ATOM 181 O ILE A 12 6.531 -0.941 -4.768 1.00 1.00 O ATOM 182 CB ILE A 12 3.473 -1.020 -5.997 1.00 1.00 C ATOM 183 CG1 ILE A 12 2.629 -1.415 -7.219 1.00 1.00 C ATOM 184 CG2 ILE A 12 3.976 0.416 -6.168 1.00 1.00 C ATOM 185 CD1 ILE A 12 1.234 -0.809 -7.088 1.00 1.00 C ATOM 0 H ILE A 12 3.196 -3.436 -5.594 1.00 1.00 H new ATOM 0 HA ILE A 12 5.293 -1.883 -6.762 1.00 1.00 H new ATOM 0 HB ILE A 12 2.863 -1.086 -5.096 1.00 1.00 H new ATOM 0 HG12 ILE A 12 3.106 -1.063 -8.134 1.00 1.00 H new ATOM 0 HG13 ILE A 12 2.561 -2.500 -7.292 1.00 1.00 H new ATOM 0 HG21 ILE A 12 3.125 1.092 -6.255 1.00 1.00 H new ATOM 0 HG22 ILE A 12 4.575 0.697 -5.302 1.00 1.00 H new ATOM 0 HG23 ILE A 12 4.586 0.483 -7.069 1.00 1.00 H new ATOM 0 HD11 ILE A 12 0.633 -1.088 -7.954 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.759 -1.183 -6.181 1.00 1.00 H new ATOM 0 HD13 ILE A 12 1.312 0.277 -7.035 1.00 1.00 H new ATOM 197 N VAL A 13 5.011 -1.972 -3.476 1.00 1.00 N ATOM 198 CA VAL A 13 5.705 -1.637 -2.238 1.00 1.00 C ATOM 199 C VAL A 13 7.091 -2.274 -2.186 1.00 1.00 C ATOM 200 O VAL A 13 8.086 -1.597 -1.928 1.00 1.00 O ATOM 201 CB VAL A 13 4.885 -2.123 -1.037 1.00 1.00 C ATOM 202 CG1 VAL A 13 5.684 -1.917 0.255 1.00 1.00 C ATOM 203 CG2 VAL A 13 3.572 -1.339 -0.958 1.00 1.00 C ATOM 0 H VAL A 13 4.153 -2.509 -3.353 1.00 1.00 H new ATOM 0 HA VAL A 13 5.820 -0.554 -2.202 1.00 1.00 H new ATOM 0 HB VAL A 13 4.666 -3.184 -1.159 1.00 1.00 H new ATOM 0 HG11 VAL A 13 5.097 -2.264 1.105 1.00 1.00 H new ATOM 0 HG12 VAL A 13 6.614 -2.483 0.202 1.00 1.00 H new ATOM 0 HG13 VAL A 13 5.910 -0.858 0.378 1.00 1.00 H new ATOM 0 HG21 VAL A 13 2.991 -1.687 -0.103 1.00 1.00 H new ATOM 0 HG22 VAL A 13 3.789 -0.277 -0.842 1.00 1.00 H new ATOM 0 HG23 VAL A 13 3.000 -1.494 -1.873 1.00 1.00 H new ATOM 213 N LYS A 14 7.150 -3.573 -2.425 1.00 1.00 N ATOM 214 CA LYS A 14 8.420 -4.284 -2.387 1.00 1.00 C ATOM 215 C LYS A 14 9.353 -3.783 -3.483 1.00 1.00 C ATOM 216 O LYS A 14 10.574 -3.769 -3.318 1.00 1.00 O ATOM 217 CB LYS A 14 8.170 -5.786 -2.550 1.00 1.00 C ATOM 218 CG LYS A 14 7.888 -6.115 -4.020 1.00 1.00 C ATOM 219 CD LYS A 14 7.209 -7.477 -4.130 1.00 1.00 C ATOM 220 CE LYS A 14 8.074 -8.536 -3.456 1.00 1.00 C ATOM 221 NZ LYS A 14 7.586 -9.887 -3.837 1.00 1.00 N ATOM 0 H LYS A 14 6.342 -4.154 -2.646 1.00 1.00 H new ATOM 0 HA LYS A 14 8.898 -4.099 -1.425 1.00 1.00 H new ATOM 0 HB2 LYS A 14 9.038 -6.347 -2.203 1.00 1.00 H new ATOM 0 HB3 LYS A 14 7.326 -6.091 -1.932 1.00 1.00 H new ATOM 0 HG2 LYS A 14 7.251 -5.346 -4.457 1.00 1.00 H new ATOM 0 HG3 LYS A 14 8.820 -6.117 -4.586 1.00 1.00 H new ATOM 0 HD2 LYS A 14 6.226 -7.443 -3.661 1.00 1.00 H new ATOM 0 HD3 LYS A 14 7.053 -7.733 -5.178 1.00 1.00 H new ATOM 0 HE2 LYS A 14 9.115 -8.415 -3.755 1.00 1.00 H new ATOM 0 HE3 LYS A 14 8.038 -8.416 -2.373 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 8.175 -10.611 -3.378 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 6.598 -9.999 -3.530 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 7.643 -9.998 -4.869 1.00 1.00 H new ATOM 235 N GLU A 15 8.769 -3.386 -4.605 1.00 1.00 N ATOM 236 CA GLU A 15 9.555 -2.893 -5.726 1.00 1.00 C ATOM 237 C GLU A 15 10.092 -1.496 -5.436 1.00 1.00 C ATOM 238 O GLU A 15 11.220 -1.162 -5.795 1.00 1.00 O ATOM 239 CB GLU A 15 8.704 -2.864 -6.996 1.00 1.00 C ATOM 240 CG GLU A 15 9.577 -2.511 -8.204 1.00 1.00 C ATOM 241 CD GLU A 15 10.528 -3.665 -8.511 1.00 1.00 C ATOM 242 OE1 GLU A 15 10.358 -4.721 -7.921 1.00 1.00 O ATOM 243 OE2 GLU A 15 11.413 -3.475 -9.327 1.00 1.00 O ATOM 0 H GLU A 15 7.761 -3.395 -4.762 1.00 1.00 H new ATOM 0 HA GLU A 15 10.398 -3.568 -5.873 1.00 1.00 H new ATOM 0 HB2 GLU A 15 8.232 -3.834 -7.149 1.00 1.00 H new ATOM 0 HB3 GLU A 15 7.903 -2.133 -6.890 1.00 1.00 H new ATOM 0 HG2 GLU A 15 8.949 -2.306 -9.071 1.00 1.00 H new ATOM 0 HG3 GLU A 15 10.146 -1.604 -8.000 1.00 1.00 H new ATOM 250 N LYS A 16 9.266 -0.679 -4.810 1.00 1.00 N ATOM 251 CA LYS A 16 9.656 0.684 -4.491 1.00 1.00 C ATOM 252 C LYS A 16 10.663 0.721 -3.355 1.00 1.00 C ATOM 253 O LYS A 16 11.521 1.602 -3.302 1.00 1.00 O ATOM 254 CB LYS A 16 8.422 1.496 -4.107 1.00 1.00 C ATOM 255 CG LYS A 16 7.500 1.661 -5.331 1.00 1.00 C ATOM 256 CD LYS A 16 7.939 2.875 -6.165 1.00 1.00 C ATOM 257 CE LYS A 16 7.720 4.177 -5.369 1.00 1.00 C ATOM 258 NZ LYS A 16 9.025 4.637 -4.817 1.00 1.00 N ATOM 0 H LYS A 16 8.324 -0.933 -4.513 1.00 1.00 H new ATOM 0 HA LYS A 16 10.125 1.116 -5.375 1.00 1.00 H new ATOM 0 HB2 LYS A 16 7.884 0.997 -3.301 1.00 1.00 H new ATOM 0 HB3 LYS A 16 8.722 2.475 -3.732 1.00 1.00 H new ATOM 0 HG2 LYS A 16 7.531 0.760 -5.943 1.00 1.00 H new ATOM 0 HG3 LYS A 16 6.468 1.789 -5.004 1.00 1.00 H new ATOM 0 HD2 LYS A 16 8.991 2.778 -6.435 1.00 1.00 H new ATOM 0 HD3 LYS A 16 7.373 2.910 -7.096 1.00 1.00 H new ATOM 0 HE2 LYS A 16 7.293 4.945 -6.014 1.00 1.00 H new ATOM 0 HE3 LYS A 16 7.008 4.008 -4.561 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 8.953 4.725 -3.783 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 9.765 3.947 -5.055 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 9.269 5.561 -5.227 1.00 1.00 H new ATOM 272 N LEU A 17 10.535 -0.223 -2.435 1.00 1.00 N ATOM 273 CA LEU A 17 11.425 -0.283 -1.277 1.00 1.00 C ATOM 274 C LEU A 17 12.601 -1.210 -1.541 1.00 1.00 C ATOM 275 O LEU A 17 13.473 -1.375 -0.689 1.00 1.00 O ATOM 276 CB LEU A 17 10.644 -0.774 -0.060 1.00 1.00 C ATOM 277 CG LEU A 17 9.453 0.162 0.204 1.00 1.00 C ATOM 278 CD1 LEU A 17 8.627 -0.384 1.372 1.00 1.00 C ATOM 279 CD2 LEU A 17 9.956 1.577 0.543 1.00 1.00 C ATOM 0 H LEU A 17 9.827 -0.957 -2.464 1.00 1.00 H new ATOM 0 HA LEU A 17 11.815 0.717 -1.087 1.00 1.00 H new ATOM 0 HB2 LEU A 17 10.289 -1.791 -0.229 1.00 1.00 H new ATOM 0 HB3 LEU A 17 11.295 -0.805 0.814 1.00 1.00 H new ATOM 0 HG LEU A 17 8.833 0.213 -0.691 1.00 1.00 H new ATOM 0 HD11 LEU A 17 7.782 0.278 1.561 1.00 1.00 H new ATOM 0 HD12 LEU A 17 8.259 -1.380 1.124 1.00 1.00 H new ATOM 0 HD13 LEU A 17 9.251 -0.440 2.264 1.00 1.00 H new ATOM 0 HD21 LEU A 17 9.104 2.231 0.728 1.00 1.00 H new ATOM 0 HD22 LEU A 17 10.583 1.537 1.434 1.00 1.00 H new ATOM 0 HD23 LEU A 17 10.538 1.966 -0.293 1.00 1.00 H new ATOM 291 N ALA A 18 12.625 -1.808 -2.726 1.00 1.00 N ATOM 292 CA ALA A 18 13.709 -2.717 -3.088 1.00 1.00 C ATOM 293 C ALA A 18 13.444 -3.349 -4.450 1.00 1.00 C ATOM 294 O ALA A 18 12.508 -2.972 -5.148 1.00 1.00 O ATOM 295 CB ALA A 18 13.842 -3.813 -2.023 1.00 1.00 C ATOM 0 H ALA A 18 11.915 -1.683 -3.447 1.00 1.00 H new ATOM 0 HA ALA A 18 14.638 -2.150 -3.143 1.00 1.00 H new ATOM 0 HB1 ALA A 18 14.652 -4.490 -2.296 1.00 1.00 H new ATOM 0 HB2 ALA A 18 14.060 -3.357 -1.057 1.00 1.00 H new ATOM 0 HB3 ALA A 18 12.909 -4.372 -1.958 1.00 1.00 H new ATOM 301 N LEU A 19 14.277 -4.311 -4.820 1.00 1.00 N ATOM 302 CA LEU A 19 14.120 -4.986 -6.104 1.00 1.00 C ATOM 303 C LEU A 19 12.911 -5.912 -6.074 1.00 1.00 C ATOM 304 O LEU A 19 12.328 -6.220 -7.113 1.00 1.00 O ATOM 305 CB LEU A 19 15.385 -5.795 -6.421 1.00 1.00 C ATOM 306 CG LEU A 19 16.473 -4.861 -6.955 1.00 1.00 C ATOM 307 CD1 LEU A 19 16.862 -3.855 -5.868 1.00 1.00 C ATOM 308 CD2 LEU A 19 17.699 -5.685 -7.352 1.00 1.00 C ATOM 0 H LEU A 19 15.061 -4.641 -4.257 1.00 1.00 H new ATOM 0 HA LEU A 19 13.966 -4.235 -6.878 1.00 1.00 H new ATOM 0 HB2 LEU A 19 15.737 -6.304 -5.524 1.00 1.00 H new ATOM 0 HB3 LEU A 19 15.160 -6.566 -7.158 1.00 1.00 H new ATOM 0 HG LEU A 19 16.097 -4.324 -7.826 1.00 1.00 H new ATOM 0 HD11 LEU A 19 17.637 -3.190 -6.249 1.00 1.00 H new ATOM 0 HD12 LEU A 19 15.988 -3.269 -5.585 1.00 1.00 H new ATOM 0 HD13 LEU A 19 17.239 -4.389 -4.996 1.00 1.00 H new ATOM 0 HD21 LEU A 19 18.476 -5.022 -7.733 1.00 1.00 H new ATOM 0 HD22 LEU A 19 18.075 -6.221 -6.480 1.00 1.00 H new ATOM 0 HD23 LEU A 19 17.421 -6.400 -8.126 1.00 1.00 H new ATOM 320 N GLY A 20 12.537 -6.350 -4.878 1.00 1.00 N ATOM 321 CA GLY A 20 11.391 -7.239 -4.719 1.00 1.00 C ATOM 322 C GLY A 20 11.835 -8.697 -4.654 1.00 1.00 C ATOM 323 O GLY A 20 11.122 -9.550 -4.130 1.00 1.00 O ATOM 0 H GLY A 20 13.008 -6.106 -4.007 1.00 1.00 H new ATOM 0 HA2 GLY A 20 10.848 -6.980 -3.810 1.00 1.00 H new ATOM 0 HA3 GLY A 20 10.702 -7.102 -5.552 1.00 1.00 H new ATOM 327 N ALA A 21 13.018 -8.978 -5.196 1.00 1.00 N ATOM 328 CA ALA A 21 13.549 -10.340 -5.197 1.00 1.00 C ATOM 329 C ALA A 21 14.441 -10.573 -3.984 1.00 1.00 C ATOM 330 O ALA A 21 14.556 -11.695 -3.496 1.00 1.00 O ATOM 331 CB ALA A 21 14.354 -10.582 -6.472 1.00 1.00 C ATOM 0 H ALA A 21 13.624 -8.286 -5.637 1.00 1.00 H new ATOM 0 HA ALA A 21 12.710 -11.035 -5.154 1.00 1.00 H new ATOM 0 HB1 ALA A 21 14.747 -11.599 -6.467 1.00 1.00 H new ATOM 0 HB2 ALA A 21 13.709 -10.447 -7.340 1.00 1.00 H new ATOM 0 HB3 ALA A 21 15.181 -9.874 -6.520 1.00 1.00 H new ATOM 337 N ASP A 22 15.074 -9.505 -3.506 1.00 1.00 N ATOM 338 CA ASP A 22 15.963 -9.602 -2.348 1.00 1.00 C ATOM 339 C ASP A 22 15.226 -9.227 -1.070 1.00 1.00 C ATOM 340 O ASP A 22 15.836 -9.094 -0.012 1.00 1.00 O ATOM 341 CB ASP A 22 17.161 -8.673 -2.534 1.00 1.00 C ATOM 342 CG ASP A 22 18.158 -8.878 -1.401 1.00 1.00 C ATOM 343 OD1 ASP A 22 18.016 -9.855 -0.684 1.00 1.00 O ATOM 344 OD2 ASP A 22 19.047 -8.055 -1.265 1.00 1.00 O ATOM 0 H ASP A 22 14.990 -8.567 -3.898 1.00 1.00 H new ATOM 0 HA ASP A 22 16.307 -10.633 -2.266 1.00 1.00 H new ATOM 0 HB2 ASP A 22 17.641 -8.872 -3.492 1.00 1.00 H new ATOM 0 HB3 ASP A 22 16.828 -7.635 -2.553 1.00 1.00 H new ATOM 349 N VAL A 23 13.911 -9.054 -1.174 1.00 1.00 N ATOM 350 CA VAL A 23 13.097 -8.690 -0.013 1.00 1.00 C ATOM 351 C VAL A 23 11.864 -9.578 0.069 1.00 1.00 C ATOM 352 O VAL A 23 11.363 -10.050 -0.951 1.00 1.00 O ATOM 353 CB VAL A 23 12.666 -7.225 -0.124 1.00 1.00 C ATOM 354 CG1 VAL A 23 11.964 -6.993 -1.463 1.00 1.00 C ATOM 355 CG2 VAL A 23 11.711 -6.885 1.022 1.00 1.00 C ATOM 0 H VAL A 23 13.387 -9.159 -2.043 1.00 1.00 H new ATOM 0 HA VAL A 23 13.693 -8.829 0.889 1.00 1.00 H new ATOM 0 HB VAL A 23 13.546 -6.585 -0.065 1.00 1.00 H new ATOM 0 HG11 VAL A 23 11.659 -5.949 -1.538 1.00 1.00 H new ATOM 0 HG12 VAL A 23 12.648 -7.231 -2.278 1.00 1.00 H new ATOM 0 HG13 VAL A 23 11.085 -7.634 -1.529 1.00 1.00 H new ATOM 0 HG21 VAL A 23 11.404 -5.842 0.943 1.00 1.00 H new ATOM 0 HG22 VAL A 23 10.832 -7.527 0.966 1.00 1.00 H new ATOM 0 HG23 VAL A 23 12.215 -7.043 1.975 1.00 1.00 H new ATOM 365 N VAL A 24 11.375 -9.797 1.286 1.00 1.00 N ATOM 366 CA VAL A 24 10.187 -10.624 1.497 1.00 1.00 C ATOM 367 C VAL A 24 9.064 -9.785 2.086 1.00 1.00 C ATOM 368 O VAL A 24 9.213 -9.196 3.156 1.00 1.00 O ATOM 369 CB VAL A 24 10.518 -11.771 2.448 1.00 1.00 C ATOM 370 CG1 VAL A 24 9.281 -12.649 2.633 1.00 1.00 C ATOM 371 CG2 VAL A 24 11.655 -12.608 1.856 1.00 1.00 C ATOM 0 H VAL A 24 11.781 -9.415 2.140 1.00 1.00 H new ATOM 0 HA VAL A 24 9.865 -11.029 0.538 1.00 1.00 H new ATOM 0 HB VAL A 24 10.826 -11.369 3.413 1.00 1.00 H new ATOM 0 HG11 VAL A 24 9.515 -13.469 3.312 1.00 1.00 H new ATOM 0 HG12 VAL A 24 8.470 -12.052 3.051 1.00 1.00 H new ATOM 0 HG13 VAL A 24 8.974 -13.053 1.668 1.00 1.00 H new ATOM 0 HG21 VAL A 24 11.894 -13.428 2.533 1.00 1.00 H new ATOM 0 HG22 VAL A 24 11.346 -13.012 0.892 1.00 1.00 H new ATOM 0 HG23 VAL A 24 12.536 -11.981 1.721 1.00 1.00 H new ATOM 381 N VAL A 25 7.938 -9.734 1.377 1.00 1.00 N ATOM 382 CA VAL A 25 6.776 -8.963 1.827 1.00 1.00 C ATOM 383 C VAL A 25 5.584 -9.879 2.067 1.00 1.00 C ATOM 384 O VAL A 25 5.306 -10.773 1.268 1.00 1.00 O ATOM 385 CB VAL A 25 6.409 -7.915 0.781 1.00 1.00 C ATOM 386 CG1 VAL A 25 5.936 -8.611 -0.497 1.00 1.00 C ATOM 387 CG2 VAL A 25 5.285 -7.027 1.325 1.00 1.00 C ATOM 0 H VAL A 25 7.804 -10.217 0.489 1.00 1.00 H new ATOM 0 HA VAL A 25 7.035 -8.469 2.763 1.00 1.00 H new ATOM 0 HB VAL A 25 7.283 -7.303 0.557 1.00 1.00 H new ATOM 0 HG11 VAL A 25 5.674 -7.862 -1.244 1.00 1.00 H new ATOM 0 HG12 VAL A 25 6.735 -9.244 -0.883 1.00 1.00 H new ATOM 0 HG13 VAL A 25 5.062 -9.224 -0.276 1.00 1.00 H new ATOM 0 HG21 VAL A 25 5.021 -6.277 0.579 1.00 1.00 H new ATOM 0 HG22 VAL A 25 4.412 -7.641 1.548 1.00 1.00 H new ATOM 0 HG23 VAL A 25 5.622 -6.531 2.235 1.00 1.00 H new ATOM 397 N THR A 26 4.884 -9.651 3.174 1.00 1.00 N ATOM 398 CA THR A 26 3.712 -10.459 3.520 1.00 1.00 C ATOM 399 C THR A 26 2.603 -9.580 4.089 1.00 1.00 C ATOM 400 O THR A 26 2.855 -8.470 4.557 1.00 1.00 O ATOM 401 CB THR A 26 4.108 -11.538 4.544 1.00 1.00 C ATOM 402 OG1 THR A 26 5.088 -11.012 5.426 1.00 1.00 O ATOM 403 CG2 THR A 26 4.670 -12.759 3.820 1.00 1.00 C ATOM 0 H THR A 26 5.104 -8.917 3.847 1.00 1.00 H new ATOM 0 HA THR A 26 3.340 -10.940 2.616 1.00 1.00 H new ATOM 0 HB THR A 26 3.228 -11.837 5.113 1.00 1.00 H new ATOM 0 HG1 THR A 26 5.341 -11.697 6.080 1.00 1.00 H new ATOM 0 HG21 THR A 26 4.948 -13.519 4.550 1.00 1.00 H new ATOM 0 HG22 THR A 26 3.914 -13.163 3.147 1.00 1.00 H new ATOM 0 HG23 THR A 26 5.550 -12.468 3.246 1.00 1.00 H new ATOM 411 N ALA A 27 1.375 -10.087 4.044 1.00 1.00 N ATOM 412 CA ALA A 27 0.236 -9.347 4.555 1.00 1.00 C ATOM 413 C ALA A 27 0.444 -9.006 6.026 1.00 1.00 C ATOM 414 O ALA A 27 -0.129 -8.045 6.534 1.00 1.00 O ATOM 415 CB ALA A 27 -1.035 -10.182 4.390 1.00 1.00 C ATOM 0 H ALA A 27 1.148 -11.004 3.660 1.00 1.00 H new ATOM 0 HA ALA A 27 0.135 -8.419 3.992 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -1.889 -9.624 4.774 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -1.191 -10.402 3.334 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -0.932 -11.115 4.944 1.00 1.00 H new ATOM 421 N ASP A 28 1.258 -9.804 6.705 1.00 1.00 N ATOM 422 CA ASP A 28 1.529 -9.579 8.123 1.00 1.00 C ATOM 423 C ASP A 28 2.725 -8.649 8.300 1.00 1.00 C ATOM 424 O ASP A 28 3.000 -8.183 9.407 1.00 1.00 O ATOM 425 CB ASP A 28 1.817 -10.911 8.813 1.00 1.00 C ATOM 426 CG ASP A 28 1.762 -10.736 10.329 1.00 1.00 C ATOM 427 OD1 ASP A 28 1.647 -9.604 10.769 1.00 1.00 O ATOM 428 OD2 ASP A 28 1.833 -11.736 11.024 1.00 1.00 O ATOM 0 H ASP A 28 1.740 -10.608 6.302 1.00 1.00 H new ATOM 0 HA ASP A 28 0.651 -9.115 8.572 1.00 1.00 H new ATOM 0 HB2 ASP A 28 1.088 -11.658 8.498 1.00 1.00 H new ATOM 0 HB3 ASP A 28 2.799 -11.279 8.516 1.00 1.00 H new ATOM 433 N SER A 29 3.434 -8.382 7.205 1.00 1.00 N ATOM 434 CA SER A 29 4.598 -7.508 7.260 1.00 1.00 C ATOM 435 C SER A 29 4.168 -6.049 7.357 1.00 1.00 C ATOM 436 O SER A 29 3.217 -5.627 6.700 1.00 1.00 O ATOM 437 CB SER A 29 5.454 -7.705 6.009 1.00 1.00 C ATOM 438 OG SER A 29 4.780 -7.154 4.885 1.00 1.00 O ATOM 0 H SER A 29 3.224 -8.755 6.279 1.00 1.00 H new ATOM 0 HA SER A 29 5.180 -7.763 8.145 1.00 1.00 H new ATOM 0 HB2 SER A 29 6.423 -7.223 6.138 1.00 1.00 H new ATOM 0 HB3 SER A 29 5.645 -8.766 5.849 1.00 1.00 H new ATOM 0 HG SER A 29 3.819 -7.333 4.959 1.00 1.00 H new ATOM 444 N GLU A 30 4.880 -5.280 8.177 1.00 1.00 N ATOM 445 CA GLU A 30 4.572 -3.862 8.351 1.00 1.00 C ATOM 446 C GLU A 30 5.420 -3.018 7.409 1.00 1.00 C ATOM 447 O GLU A 30 6.547 -3.383 7.085 1.00 1.00 O ATOM 448 CB GLU A 30 4.840 -3.441 9.797 1.00 1.00 C ATOM 449 CG GLU A 30 3.841 -4.137 10.722 1.00 1.00 C ATOM 450 CD GLU A 30 4.172 -3.828 12.176 1.00 1.00 C ATOM 451 OE1 GLU A 30 5.114 -3.088 12.403 1.00 1.00 O ATOM 452 OE2 GLU A 30 3.476 -4.333 13.041 1.00 1.00 O ATOM 0 H GLU A 30 5.671 -5.612 8.729 1.00 1.00 H new ATOM 0 HA GLU A 30 3.519 -3.705 8.119 1.00 1.00 H new ATOM 0 HB2 GLU A 30 5.859 -3.703 10.081 1.00 1.00 H new ATOM 0 HB3 GLU A 30 4.750 -2.359 9.895 1.00 1.00 H new ATOM 0 HG2 GLU A 30 2.829 -3.805 10.493 1.00 1.00 H new ATOM 0 HG3 GLU A 30 3.868 -5.214 10.555 1.00 1.00 H new ATOM 459 N PHE A 31 4.871 -1.890 6.978 1.00 1.00 N ATOM 460 CA PHE A 31 5.586 -0.998 6.070 1.00 1.00 C ATOM 461 C PHE A 31 6.905 -0.548 6.690 1.00 1.00 C ATOM 462 O PHE A 31 7.898 -0.361 5.988 1.00 1.00 O ATOM 463 CB PHE A 31 4.723 0.226 5.755 1.00 1.00 C ATOM 464 CG PHE A 31 3.574 -0.181 4.862 1.00 1.00 C ATOM 465 CD1 PHE A 31 3.731 -0.170 3.470 1.00 1.00 C ATOM 466 CD2 PHE A 31 2.351 -0.566 5.425 1.00 1.00 C ATOM 467 CE1 PHE A 31 2.664 -0.543 2.647 1.00 1.00 C ATOM 468 CE2 PHE A 31 1.289 -0.939 4.598 1.00 1.00 C ATOM 469 CZ PHE A 31 1.445 -0.928 3.210 1.00 1.00 C ATOM 0 H PHE A 31 3.938 -1.571 7.240 1.00 1.00 H new ATOM 0 HA PHE A 31 5.798 -1.540 5.148 1.00 1.00 H new ATOM 0 HB2 PHE A 31 4.342 0.663 6.678 1.00 1.00 H new ATOM 0 HB3 PHE A 31 5.325 0.991 5.265 1.00 1.00 H new ATOM 0 HD1 PHE A 31 4.674 0.126 3.034 1.00 1.00 H new ATOM 0 HD2 PHE A 31 2.229 -0.575 6.498 1.00 1.00 H new ATOM 0 HE1 PHE A 31 2.783 -0.533 1.574 1.00 1.00 H new ATOM 0 HE2 PHE A 31 0.346 -1.236 5.032 1.00 1.00 H new ATOM 0 HZ PHE A 31 0.623 -1.217 2.572 1.00 1.00 H new ATOM 479 N SER A 32 6.906 -0.373 8.007 1.00 1.00 N ATOM 480 CA SER A 32 8.111 0.059 8.708 1.00 1.00 C ATOM 481 C SER A 32 9.238 -0.950 8.521 1.00 1.00 C ATOM 482 O SER A 32 10.383 -0.577 8.261 1.00 1.00 O ATOM 483 CB SER A 32 7.814 0.217 10.198 1.00 1.00 C ATOM 484 OG SER A 32 8.988 0.656 10.867 1.00 1.00 O ATOM 0 H SER A 32 6.094 -0.522 8.607 1.00 1.00 H new ATOM 0 HA SER A 32 8.425 1.016 8.291 1.00 1.00 H new ATOM 0 HB2 SER A 32 7.007 0.935 10.346 1.00 1.00 H new ATOM 0 HB3 SER A 32 7.477 -0.732 10.616 1.00 1.00 H new ATOM 0 HG SER A 32 8.800 0.760 11.823 1.00 1.00 H new ATOM 490 N LYS A 33 8.910 -2.228 8.651 1.00 1.00 N ATOM 491 CA LYS A 33 9.905 -3.282 8.495 1.00 1.00 C ATOM 492 C LYS A 33 10.490 -3.269 7.089 1.00 1.00 C ATOM 493 O LYS A 33 11.675 -3.543 6.898 1.00 1.00 O ATOM 494 CB LYS A 33 9.277 -4.646 8.772 1.00 1.00 C ATOM 495 CG LYS A 33 8.981 -4.791 10.271 1.00 1.00 C ATOM 496 CD LYS A 33 8.653 -6.252 10.593 1.00 1.00 C ATOM 497 CE LYS A 33 7.308 -6.636 9.975 1.00 1.00 C ATOM 498 NZ LYS A 33 6.875 -7.953 10.510 1.00 1.00 N ATOM 0 H LYS A 33 7.969 -2.560 8.863 1.00 1.00 H new ATOM 0 HA LYS A 33 10.706 -3.099 9.211 1.00 1.00 H new ATOM 0 HB2 LYS A 33 8.356 -4.755 8.199 1.00 1.00 H new ATOM 0 HB3 LYS A 33 9.951 -5.439 8.447 1.00 1.00 H new ATOM 0 HG2 LYS A 33 9.841 -4.464 10.855 1.00 1.00 H new ATOM 0 HG3 LYS A 33 8.145 -4.150 10.550 1.00 1.00 H new ATOM 0 HD2 LYS A 33 9.438 -6.903 10.208 1.00 1.00 H new ATOM 0 HD3 LYS A 33 8.620 -6.396 11.673 1.00 1.00 H new ATOM 0 HE2 LYS A 33 6.561 -5.876 10.202 1.00 1.00 H new ATOM 0 HE3 LYS A 33 7.395 -6.683 8.889 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 5.944 -8.199 10.116 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 7.568 -8.681 10.242 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 6.809 -7.902 11.547 1.00 1.00 H new ATOM 512 N LEU A 34 9.654 -2.963 6.108 1.00 1.00 N ATOM 513 CA LEU A 34 10.100 -2.929 4.720 1.00 1.00 C ATOM 514 C LEU A 34 11.094 -1.798 4.500 1.00 1.00 C ATOM 515 O LEU A 34 11.795 -1.767 3.493 1.00 1.00 O ATOM 516 CB LEU A 34 8.897 -2.742 3.794 1.00 1.00 C ATOM 517 CG LEU A 34 7.885 -3.870 4.035 1.00 1.00 C ATOM 518 CD1 LEU A 34 6.638 -3.639 3.168 1.00 1.00 C ATOM 519 CD2 LEU A 34 8.516 -5.231 3.683 1.00 1.00 C ATOM 0 H LEU A 34 8.669 -2.736 6.244 1.00 1.00 H new ATOM 0 HA LEU A 34 10.593 -3.874 4.493 1.00 1.00 H new ATOM 0 HB2 LEU A 34 8.430 -1.775 3.978 1.00 1.00 H new ATOM 0 HB3 LEU A 34 9.221 -2.746 2.753 1.00 1.00 H new ATOM 0 HG LEU A 34 7.600 -3.872 5.087 1.00 1.00 H new ATOM 0 HD11 LEU A 34 5.921 -4.441 3.341 1.00 1.00 H new ATOM 0 HD12 LEU A 34 6.184 -2.684 3.431 1.00 1.00 H new ATOM 0 HD13 LEU A 34 6.923 -3.628 2.116 1.00 1.00 H new ATOM 0 HD21 LEU A 34 7.790 -6.025 3.858 1.00 1.00 H new ATOM 0 HD22 LEU A 34 8.812 -5.234 2.634 1.00 1.00 H new ATOM 0 HD23 LEU A 34 9.393 -5.398 4.308 1.00 1.00 H new ATOM 531 N GLY A 35 11.155 -0.876 5.454 1.00 1.00 N ATOM 532 CA GLY A 35 12.077 0.255 5.360 1.00 1.00 C ATOM 533 C GLY A 35 11.348 1.520 4.927 1.00 1.00 C ATOM 534 O GLY A 35 11.952 2.588 4.826 1.00 1.00 O ATOM 0 H GLY A 35 10.582 -0.887 6.298 1.00 1.00 H new ATOM 0 HA2 GLY A 35 12.556 0.419 6.325 1.00 1.00 H new ATOM 0 HA3 GLY A 35 12.868 0.025 4.647 1.00 1.00 H new ATOM 538 N ALA A 36 10.051 1.395 4.672 1.00 1.00 N ATOM 539 CA ALA A 36 9.258 2.541 4.252 1.00 1.00 C ATOM 540 C ALA A 36 9.396 3.682 5.252 1.00 1.00 C ATOM 541 O ALA A 36 8.875 3.608 6.365 1.00 1.00 O ATOM 542 CB ALA A 36 7.785 2.141 4.137 1.00 1.00 C ATOM 0 H ALA A 36 9.531 0.521 4.748 1.00 1.00 H new ATOM 0 HA ALA A 36 9.623 2.876 3.281 1.00 1.00 H new ATOM 0 HB1 ALA A 36 7.197 3.003 3.822 1.00 1.00 H new ATOM 0 HB2 ALA A 36 7.681 1.343 3.402 1.00 1.00 H new ATOM 0 HB3 ALA A 36 7.426 1.791 5.105 1.00 1.00 H new ATOM 548 N ASP A 37 10.093 4.737 4.846 1.00 1.00 N ATOM 549 CA ASP A 37 10.289 5.898 5.712 1.00 1.00 C ATOM 550 C ASP A 37 9.190 6.926 5.481 1.00 1.00 C ATOM 551 O ASP A 37 8.235 6.677 4.745 1.00 1.00 O ATOM 552 CB ASP A 37 11.648 6.537 5.432 1.00 1.00 C ATOM 553 CG ASP A 37 12.002 7.526 6.534 1.00 1.00 C ATOM 554 OD1 ASP A 37 12.177 7.088 7.659 1.00 1.00 O ATOM 555 OD2 ASP A 37 12.094 8.705 6.237 1.00 1.00 O ATOM 0 H ASP A 37 10.531 4.814 3.928 1.00 1.00 H new ATOM 0 HA ASP A 37 10.251 5.564 6.749 1.00 1.00 H new ATOM 0 HB2 ASP A 37 12.414 5.765 5.367 1.00 1.00 H new ATOM 0 HB3 ASP A 37 11.627 7.047 4.469 1.00 1.00 H new ATOM 560 N SER A 38 9.335 8.079 6.115 1.00 1.00 N ATOM 561 CA SER A 38 8.347 9.147 5.974 1.00 1.00 C ATOM 562 C SER A 38 8.261 9.606 4.521 1.00 1.00 C ATOM 563 O SER A 38 7.171 9.749 3.969 1.00 1.00 O ATOM 564 CB SER A 38 8.724 10.332 6.864 1.00 1.00 C ATOM 0 H SER A 38 10.119 8.302 6.728 1.00 1.00 H new ATOM 0 HA SER A 38 7.375 8.760 6.281 1.00 1.00 H new ATOM 569 N LEU A 39 9.418 9.833 3.909 1.00 1.00 N ATOM 570 CA LEU A 39 9.464 10.272 2.519 1.00 1.00 C ATOM 571 C LEU A 39 8.963 9.174 1.590 1.00 1.00 C ATOM 572 O LEU A 39 8.220 9.439 0.646 1.00 1.00 O ATOM 573 CB LEU A 39 10.897 10.651 2.141 1.00 1.00 C ATOM 574 CG LEU A 39 11.455 11.640 3.169 1.00 1.00 C ATOM 575 CD1 LEU A 39 12.902 11.989 2.807 1.00 1.00 C ATOM 576 CD2 LEU A 39 10.605 12.921 3.175 1.00 1.00 C ATOM 0 H LEU A 39 10.331 9.721 4.350 1.00 1.00 H new ATOM 0 HA LEU A 39 8.816 11.142 2.411 1.00 1.00 H new ATOM 0 HB2 LEU A 39 11.522 9.759 2.103 1.00 1.00 H new ATOM 0 HB3 LEU A 39 10.916 11.096 1.146 1.00 1.00 H new ATOM 0 HG LEU A 39 11.425 11.185 4.159 1.00 1.00 H new ATOM 0 HD11 LEU A 39 13.300 12.693 3.538 1.00 1.00 H new ATOM 0 HD12 LEU A 39 13.507 11.082 2.810 1.00 1.00 H new ATOM 0 HD13 LEU A 39 12.930 12.441 1.815 1.00 1.00 H new ATOM 0 HD21 LEU A 39 11.007 13.621 3.908 1.00 1.00 H new ATOM 0 HD22 LEU A 39 10.629 13.378 2.186 1.00 1.00 H new ATOM 0 HD23 LEU A 39 9.576 12.674 3.435 1.00 1.00 H new ATOM 588 N ASP A 40 9.374 7.940 1.865 1.00 1.00 N ATOM 589 CA ASP A 40 8.963 6.808 1.046 1.00 1.00 C ATOM 590 C ASP A 40 7.457 6.613 1.124 1.00 1.00 C ATOM 591 O ASP A 40 6.809 6.354 0.116 1.00 1.00 O ATOM 592 CB ASP A 40 9.670 5.537 1.521 1.00 1.00 C ATOM 593 CG ASP A 40 11.144 5.585 1.131 1.00 1.00 C ATOM 594 OD1 ASP A 40 11.511 6.481 0.388 1.00 1.00 O ATOM 595 OD2 ASP A 40 11.884 4.726 1.581 1.00 1.00 O ATOM 0 H ASP A 40 9.987 7.701 2.644 1.00 1.00 H new ATOM 0 HA ASP A 40 9.239 7.011 0.011 1.00 1.00 H new ATOM 0 HB2 ASP A 40 9.574 5.440 2.602 1.00 1.00 H new ATOM 0 HB3 ASP A 40 9.196 4.660 1.079 1.00 1.00 H new ATOM 600 N THR A 41 6.907 6.746 2.325 1.00 1.00 N ATOM 601 CA THR A 41 5.474 6.570 2.521 1.00 1.00 C ATOM 602 C THR A 41 4.689 7.310 1.447 1.00 1.00 C ATOM 603 O THR A 41 3.670 6.822 0.960 1.00 1.00 O ATOM 604 CB THR A 41 5.069 7.093 3.906 1.00 1.00 C ATOM 605 OG1 THR A 41 5.667 6.285 4.910 1.00 1.00 O ATOM 606 CG2 THR A 41 3.543 7.051 4.055 1.00 1.00 C ATOM 0 H THR A 41 7.428 6.974 3.172 1.00 1.00 H new ATOM 0 HA THR A 41 5.245 5.507 2.451 1.00 1.00 H new ATOM 0 HB THR A 41 5.410 8.123 4.014 1.00 1.00 H new ATOM 0 HG1 THR A 41 6.629 6.470 4.949 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.263 7.424 5.040 1.00 1.00 H new ATOM 0 HG22 THR A 41 3.085 7.675 3.288 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.195 6.024 3.943 1.00 1.00 H new ATOM 614 N VAL A 42 5.170 8.484 1.081 1.00 1.00 N ATOM 615 CA VAL A 42 4.509 9.286 0.059 1.00 1.00 C ATOM 616 C VAL A 42 4.595 8.597 -1.297 1.00 1.00 C ATOM 617 O VAL A 42 3.625 8.570 -2.053 1.00 1.00 O ATOM 618 CB VAL A 42 5.154 10.676 -0.022 1.00 1.00 C ATOM 619 CG1 VAL A 42 4.593 11.437 -1.229 1.00 1.00 C ATOM 620 CG2 VAL A 42 4.837 11.459 1.253 1.00 1.00 C ATOM 0 H VAL A 42 6.013 8.905 1.472 1.00 1.00 H new ATOM 0 HA VAL A 42 3.459 9.395 0.332 1.00 1.00 H new ATOM 0 HB VAL A 42 6.233 10.565 -0.130 1.00 1.00 H new ATOM 0 HG11 VAL A 42 5.053 12.424 -1.283 1.00 1.00 H new ATOM 0 HG12 VAL A 42 4.812 10.884 -2.142 1.00 1.00 H new ATOM 0 HG13 VAL A 42 3.514 11.546 -1.121 1.00 1.00 H new ATOM 0 HG21 VAL A 42 5.295 12.447 1.197 1.00 1.00 H new ATOM 0 HG22 VAL A 42 3.757 11.565 1.356 1.00 1.00 H new ATOM 0 HG23 VAL A 42 5.233 10.924 2.116 1.00 1.00 H new ATOM 630 N GLU A 43 5.766 8.053 -1.605 1.00 1.00 N ATOM 631 CA GLU A 43 5.970 7.381 -2.877 1.00 1.00 C ATOM 632 C GLU A 43 5.051 6.171 -2.997 1.00 1.00 C ATOM 633 O GLU A 43 4.533 5.880 -4.075 1.00 1.00 O ATOM 634 CB GLU A 43 7.436 6.941 -2.995 1.00 1.00 C ATOM 635 CG GLU A 43 8.317 8.144 -3.340 1.00 1.00 C ATOM 636 CD GLU A 43 8.352 9.112 -2.166 1.00 1.00 C ATOM 637 OE1 GLU A 43 7.418 9.885 -2.034 1.00 1.00 O ATOM 638 OE2 GLU A 43 9.311 9.066 -1.414 1.00 1.00 O ATOM 0 H GLU A 43 6.583 8.065 -0.994 1.00 1.00 H new ATOM 0 HA GLU A 43 5.733 8.074 -3.684 1.00 1.00 H new ATOM 0 HB2 GLU A 43 7.767 6.494 -2.057 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.534 6.175 -3.765 1.00 1.00 H new ATOM 0 HG2 GLU A 43 9.327 7.810 -3.578 1.00 1.00 H new ATOM 0 HG3 GLU A 43 7.930 8.647 -4.226 1.00 1.00 H new ATOM 645 N ILE A 44 4.850 5.469 -1.888 1.00 1.00 N ATOM 646 CA ILE A 44 3.991 4.294 -1.893 1.00 1.00 C ATOM 647 C ILE A 44 2.558 4.682 -2.220 1.00 1.00 C ATOM 648 O ILE A 44 1.922 4.072 -3.076 1.00 1.00 O ATOM 649 CB ILE A 44 4.039 3.612 -0.522 1.00 1.00 C ATOM 650 CG1 ILE A 44 5.496 3.321 -0.139 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.264 2.303 -0.574 1.00 1.00 C ATOM 652 CD1 ILE A 44 6.198 2.529 -1.245 1.00 1.00 C ATOM 0 H ILE A 44 5.266 5.691 -0.983 1.00 1.00 H new ATOM 0 HA ILE A 44 4.350 3.604 -2.657 1.00 1.00 H new ATOM 0 HB ILE A 44 3.592 4.273 0.221 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.025 4.258 0.036 1.00 1.00 H new ATOM 0 HG13 ILE A 44 5.527 2.758 0.794 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.300 1.820 0.402 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.227 2.505 -0.841 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.710 1.646 -1.320 1.00 1.00 H new ATOM 0 HD11 ILE A 44 7.230 2.333 -0.953 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.679 1.583 -1.401 1.00 1.00 H new ATOM 0 HD13 ILE A 44 6.186 3.106 -2.170 1.00 1.00 H new ATOM 664 N VAL A 45 2.059 5.701 -1.537 1.00 1.00 N ATOM 665 CA VAL A 45 0.699 6.162 -1.766 1.00 1.00 C ATOM 666 C VAL A 45 0.577 6.787 -3.150 1.00 1.00 C ATOM 667 O VAL A 45 -0.401 6.562 -3.858 1.00 1.00 O ATOM 668 CB VAL A 45 0.306 7.189 -0.702 1.00 1.00 C ATOM 669 CG1 VAL A 45 -1.142 7.630 -0.924 1.00 1.00 C ATOM 670 CG2 VAL A 45 0.446 6.561 0.684 1.00 1.00 C ATOM 0 H VAL A 45 2.571 6.221 -0.825 1.00 1.00 H new ATOM 0 HA VAL A 45 0.028 5.305 -1.704 1.00 1.00 H new ATOM 0 HB VAL A 45 0.960 8.058 -0.775 1.00 1.00 H new ATOM 0 HG11 VAL A 45 -1.420 8.361 -0.165 1.00 1.00 H new ATOM 0 HG12 VAL A 45 -1.238 8.078 -1.913 1.00 1.00 H new ATOM 0 HG13 VAL A 45 -1.801 6.765 -0.852 1.00 1.00 H new ATOM 0 HG21 VAL A 45 0.167 7.291 1.444 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -0.208 5.692 0.757 1.00 1.00 H new ATOM 0 HG23 VAL A 45 1.479 6.252 0.841 1.00 1.00 H new ATOM 680 N MET A 46 1.571 7.584 -3.523 1.00 1.00 N ATOM 681 CA MET A 46 1.547 8.252 -4.816 1.00 1.00 C ATOM 682 C MET A 46 1.447 7.234 -5.948 1.00 1.00 C ATOM 683 O MET A 46 0.631 7.387 -6.858 1.00 1.00 O ATOM 684 CB MET A 46 2.826 9.074 -5.000 1.00 1.00 C ATOM 685 CG MET A 46 2.640 10.084 -6.142 1.00 1.00 C ATOM 686 SD MET A 46 1.865 11.581 -5.483 1.00 1.00 S ATOM 687 CE MET A 46 3.243 12.147 -4.444 1.00 1.00 C ATOM 0 H MET A 46 2.395 7.781 -2.955 1.00 1.00 H new ATOM 0 HA MET A 46 0.675 8.906 -4.845 1.00 1.00 H new ATOM 0 HB2 MET A 46 3.068 9.598 -4.075 1.00 1.00 H new ATOM 0 HB3 MET A 46 3.664 8.413 -5.220 1.00 1.00 H new ATOM 0 HG2 MET A 46 3.603 10.325 -6.592 1.00 1.00 H new ATOM 0 HG3 MET A 46 2.020 9.654 -6.928 1.00 1.00 H new ATOM 0 HE1 MET A 46 2.946 12.114 -3.396 1.00 1.00 H new ATOM 0 HE2 MET A 46 4.105 11.498 -4.598 1.00 1.00 H new ATOM 0 HE3 MET A 46 3.506 13.170 -4.714 1.00 1.00 H new ATOM 697 N ASN A 47 2.282 6.203 -5.891 1.00 1.00 N ATOM 698 CA ASN A 47 2.274 5.177 -6.924 1.00 1.00 C ATOM 699 C ASN A 47 0.931 4.453 -6.949 1.00 1.00 C ATOM 700 O ASN A 47 0.374 4.200 -8.017 1.00 1.00 O ATOM 701 CB ASN A 47 3.395 4.167 -6.654 1.00 1.00 C ATOM 702 CG ASN A 47 4.741 4.753 -7.069 1.00 1.00 C ATOM 703 OD1 ASN A 47 5.428 4.190 -7.920 1.00 1.00 O ATOM 704 ND2 ASN A 47 5.157 5.860 -6.519 1.00 1.00 N ATOM 0 H ASN A 47 2.966 6.057 -5.149 1.00 1.00 H new ATOM 0 HA ASN A 47 2.433 5.654 -7.891 1.00 1.00 H new ATOM 0 HB2 ASN A 47 3.414 3.907 -5.596 1.00 1.00 H new ATOM 0 HB3 ASN A 47 3.205 3.246 -7.205 1.00 1.00 H new ATOM 0 HD21 ASN A 47 6.054 6.261 -6.794 1.00 1.00 H new ATOM 0 HD22 ASN A 47 4.586 6.325 -5.814 1.00 1.00 H new ATOM 711 N LEU A 48 0.418 4.114 -5.770 1.00 1.00 N ATOM 712 CA LEU A 48 -0.853 3.411 -5.680 1.00 1.00 C ATOM 713 C LEU A 48 -1.987 4.276 -6.203 1.00 1.00 C ATOM 714 O LEU A 48 -2.855 3.802 -6.935 1.00 1.00 O ATOM 715 CB LEU A 48 -1.120 3.030 -4.221 1.00 1.00 C ATOM 716 CG LEU A 48 -0.093 1.991 -3.757 1.00 1.00 C ATOM 717 CD1 LEU A 48 -0.061 1.953 -2.226 1.00 1.00 C ATOM 718 CD2 LEU A 48 -0.475 0.602 -4.279 1.00 1.00 C ATOM 0 H LEU A 48 0.860 4.313 -4.872 1.00 1.00 H new ATOM 0 HA LEU A 48 -0.800 2.511 -6.292 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -1.065 3.916 -3.589 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -2.128 2.628 -4.120 1.00 1.00 H new ATOM 0 HG LEU A 48 0.887 2.268 -4.145 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.669 1.214 -1.896 1.00 1.00 H new ATOM 0 HD12 LEU A 48 0.218 2.935 -1.843 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -1.047 1.683 -1.848 1.00 1.00 H new ATOM 0 HD21 LEU A 48 0.261 -0.128 -3.943 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -1.458 0.327 -3.897 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -0.500 0.617 -5.369 1.00 1.00 H new ATOM 730 N GLU A 49 -1.976 5.545 -5.828 1.00 1.00 N ATOM 731 CA GLU A 49 -3.016 6.462 -6.269 1.00 1.00 C ATOM 732 C GLU A 49 -3.065 6.534 -7.786 1.00 1.00 C ATOM 733 O GLU A 49 -4.142 6.575 -8.380 1.00 1.00 O ATOM 734 CB GLU A 49 -2.765 7.857 -5.687 1.00 1.00 C ATOM 735 CG GLU A 49 -3.172 7.887 -4.211 1.00 1.00 C ATOM 736 CD GLU A 49 -2.830 9.245 -3.606 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.291 10.072 -4.323 1.00 1.00 O ATOM 738 OE2 GLU A 49 -3.117 9.438 -2.437 1.00 1.00 O ATOM 0 H GLU A 49 -1.266 5.961 -5.225 1.00 1.00 H new ATOM 0 HA GLU A 49 -3.976 6.090 -5.911 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -1.712 8.119 -5.788 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -3.333 8.601 -6.245 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.241 7.695 -4.115 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -2.656 7.096 -3.666 1.00 1.00 H new ATOM 745 N GLU A 50 -1.900 6.548 -8.400 1.00 1.00 N ATOM 746 CA GLU A 50 -1.813 6.615 -9.854 1.00 1.00 C ATOM 747 C GLU A 50 -2.161 5.268 -10.480 1.00 1.00 C ATOM 748 O GLU A 50 -2.770 5.210 -11.550 1.00 1.00 O ATOM 749 CB GLU A 50 -0.402 7.027 -10.281 1.00 1.00 C ATOM 750 CG GLU A 50 -0.353 7.195 -11.804 1.00 1.00 C ATOM 751 CD GLU A 50 1.034 7.658 -12.233 1.00 1.00 C ATOM 752 OE1 GLU A 50 1.938 7.594 -11.415 1.00 1.00 O ATOM 753 OE2 GLU A 50 1.174 8.069 -13.373 1.00 1.00 O ATOM 0 H GLU A 50 -1.000 6.514 -7.922 1.00 1.00 H new ATOM 0 HA GLU A 50 -2.529 7.360 -10.202 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -0.122 7.960 -9.793 1.00 1.00 H new ATOM 0 HB3 GLU A 50 0.319 6.273 -9.965 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -0.597 6.250 -12.290 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -1.102 7.920 -12.122 1.00 1.00 H new ATOM 760 N GLU A 51 -1.757 4.187 -9.817 1.00 1.00 N ATOM 761 CA GLU A 51 -2.017 2.851 -10.331 1.00 1.00 C ATOM 762 C GLU A 51 -3.508 2.548 -10.327 1.00 1.00 C ATOM 763 O GLU A 51 -4.048 2.034 -11.305 1.00 1.00 O ATOM 764 CB GLU A 51 -1.288 1.817 -9.472 1.00 1.00 C ATOM 765 CG GLU A 51 -1.353 0.446 -10.149 1.00 1.00 C ATOM 766 CD GLU A 51 -0.468 0.438 -11.390 1.00 1.00 C ATOM 767 OE1 GLU A 51 0.249 1.407 -11.587 1.00 1.00 O ATOM 768 OE2 GLU A 51 -0.517 -0.535 -12.123 1.00 1.00 O ATOM 0 H GLU A 51 -1.253 4.212 -8.931 1.00 1.00 H new ATOM 0 HA GLU A 51 -1.654 2.803 -11.358 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -0.249 2.115 -9.331 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -1.742 1.767 -8.482 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -1.027 -0.328 -9.454 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -2.382 0.215 -10.424 1.00 1.00 H new ATOM 775 N PHE A 52 -4.172 2.865 -9.219 1.00 1.00 N ATOM 776 CA PHE A 52 -5.607 2.614 -9.095 1.00 1.00 C ATOM 777 C PHE A 52 -6.403 3.875 -9.408 1.00 1.00 C ATOM 778 O PHE A 52 -7.634 3.859 -9.407 1.00 1.00 O ATOM 779 CB PHE A 52 -5.927 2.137 -7.677 1.00 1.00 C ATOM 780 CG PHE A 52 -5.264 0.803 -7.432 1.00 1.00 C ATOM 781 CD1 PHE A 52 -5.872 -0.374 -7.884 1.00 1.00 C ATOM 782 CD2 PHE A 52 -4.041 0.743 -6.753 1.00 1.00 C ATOM 783 CE1 PHE A 52 -5.256 -1.610 -7.655 1.00 1.00 C ATOM 784 CE2 PHE A 52 -3.426 -0.491 -6.525 1.00 1.00 C ATOM 785 CZ PHE A 52 -4.035 -1.669 -6.976 1.00 1.00 C ATOM 0 H PHE A 52 -3.744 3.293 -8.398 1.00 1.00 H new ATOM 0 HA PHE A 52 -5.888 1.841 -9.811 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -5.577 2.868 -6.948 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -7.006 2.048 -7.547 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -6.815 -0.329 -8.409 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -3.572 1.652 -6.405 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -5.724 -2.519 -8.003 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -2.482 -0.536 -6.002 1.00 1.00 H new ATOM 0 HZ PHE A 52 -3.561 -2.623 -6.799 1.00 1.00 H new ATOM 795 N GLY A 53 -5.694 4.963 -9.689 1.00 1.00 N ATOM 796 CA GLY A 53 -6.352 6.223 -10.017 1.00 1.00 C ATOM 797 C GLY A 53 -7.303 6.652 -8.909 1.00 1.00 C ATOM 798 O GLY A 53 -8.450 7.008 -9.173 1.00 1.00 O ATOM 0 H GLY A 53 -4.675 4.999 -9.697 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -5.602 6.998 -10.176 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -6.903 6.116 -10.952 1.00 1.00 H new ATOM 802 N ILE A 54 -6.821 6.618 -7.670 1.00 1.00 N ATOM 803 CA ILE A 54 -7.637 7.009 -6.518 1.00 1.00 C ATOM 804 C ILE A 54 -6.979 8.159 -5.769 1.00 1.00 C ATOM 805 O ILE A 54 -6.041 8.778 -6.268 1.00 1.00 O ATOM 806 CB ILE A 54 -7.819 5.817 -5.578 1.00 1.00 C ATOM 807 CG1 ILE A 54 -6.448 5.301 -5.124 1.00 1.00 C ATOM 808 CG2 ILE A 54 -8.568 4.701 -6.313 1.00 1.00 C ATOM 809 CD1 ILE A 54 -6.626 4.231 -4.044 1.00 1.00 C ATOM 0 H ILE A 54 -5.873 6.325 -7.435 1.00 1.00 H new ATOM 0 HA ILE A 54 -8.613 7.335 -6.877 1.00 1.00 H new ATOM 0 HB ILE A 54 -8.392 6.129 -4.705 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -5.906 4.886 -5.974 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -5.849 6.125 -4.736 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -8.699 3.850 -5.645 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -9.544 5.066 -6.631 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -7.994 4.392 -7.187 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -5.648 3.869 -3.726 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.150 4.660 -3.190 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.207 3.401 -4.446 1.00 1.00 H new ATOM 821 N ASN A 55 -7.479 8.440 -4.572 1.00 1.00 N ATOM 822 CA ASN A 55 -6.933 9.524 -3.757 1.00 1.00 C ATOM 823 C ASN A 55 -6.939 9.138 -2.286 1.00 1.00 C ATOM 824 O ASN A 55 -7.998 8.953 -1.690 1.00 1.00 O ATOM 825 CB ASN A 55 -7.771 10.786 -3.952 1.00 1.00 C ATOM 826 CG ASN A 55 -7.979 11.047 -5.440 1.00 1.00 C ATOM 827 OD1 ASN A 55 -7.177 11.737 -6.069 1.00 1.00 O ATOM 828 ND2 ASN A 55 -9.013 10.526 -6.046 1.00 1.00 N ATOM 0 H ASN A 55 -8.257 7.937 -4.144 1.00 1.00 H new ATOM 0 HA ASN A 55 -5.906 9.711 -4.070 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -8.735 10.673 -3.456 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -7.273 11.639 -3.491 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -9.157 10.691 -7.042 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -9.676 9.955 -5.523 1.00 1.00 H new ATOM 835 N VAL A 56 -5.748 9.022 -1.704 1.00 1.00 N ATOM 836 CA VAL A 56 -5.617 8.664 -0.290 1.00 1.00 C ATOM 837 C VAL A 56 -4.719 9.664 0.427 1.00 1.00 C ATOM 838 O VAL A 56 -3.630 9.986 -0.047 1.00 1.00 O ATOM 839 CB VAL A 56 -5.027 7.255 -0.161 1.00 1.00 C ATOM 840 CG1 VAL A 56 -4.650 6.988 1.302 1.00 1.00 C ATOM 841 CG2 VAL A 56 -6.067 6.225 -0.619 1.00 1.00 C ATOM 0 H VAL A 56 -4.861 9.170 -2.186 1.00 1.00 H new ATOM 0 HA VAL A 56 -6.606 8.684 0.169 1.00 1.00 H new ATOM 0 HB VAL A 56 -4.136 7.175 -0.783 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -4.231 5.986 1.393 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -3.912 7.721 1.627 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -5.539 7.067 1.927 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -5.650 5.222 -0.528 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -6.958 6.305 0.004 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -6.333 6.415 -1.659 1.00 1.00 H new ATOM 851 N ASP A 57 -5.183 10.145 1.576 1.00 1.00 N ATOM 852 CA ASP A 57 -4.414 11.106 2.368 1.00 1.00 C ATOM 853 C ASP A 57 -3.744 10.405 3.545 1.00 1.00 C ATOM 854 O ASP A 57 -4.229 9.381 4.030 1.00 1.00 O ATOM 855 CB ASP A 57 -5.333 12.211 2.882 1.00 1.00 C ATOM 856 CG ASP A 57 -4.508 13.284 3.584 1.00 1.00 C ATOM 857 OD1 ASP A 57 -3.294 13.230 3.480 1.00 1.00 O ATOM 858 OD2 ASP A 57 -5.102 14.144 4.210 1.00 1.00 O ATOM 0 H ASP A 57 -6.083 9.888 1.980 1.00 1.00 H new ATOM 0 HA ASP A 57 -3.644 11.545 1.733 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -5.888 12.650 2.053 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -6.067 11.795 3.572 1.00 1.00 H new ATOM 863 N GLU A 58 -2.628 10.962 3.998 1.00 1.00 N ATOM 864 CA GLU A 58 -1.894 10.380 5.116 1.00 1.00 C ATOM 865 C GLU A 58 -2.790 10.289 6.347 1.00 1.00 C ATOM 866 O GLU A 58 -2.719 9.323 7.106 1.00 1.00 O ATOM 867 CB GLU A 58 -0.676 11.243 5.442 1.00 1.00 C ATOM 868 CG GLU A 58 0.199 10.530 6.474 1.00 1.00 C ATOM 869 CD GLU A 58 1.472 11.333 6.724 1.00 1.00 C ATOM 870 OE1 GLU A 58 1.526 12.474 6.296 1.00 1.00 O ATOM 871 OE2 GLU A 58 2.377 10.793 7.341 1.00 1.00 O ATOM 0 H GLU A 58 -2.213 11.810 3.612 1.00 1.00 H new ATOM 0 HA GLU A 58 -1.569 9.378 4.835 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -0.102 11.436 4.536 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -0.997 12.210 5.829 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -0.352 10.407 7.406 1.00 1.00 H new ATOM 0 HG3 GLU A 58 0.453 9.531 6.119 1.00 1.00 H new ATOM 878 N ASP A 59 -3.633 11.301 6.536 1.00 1.00 N ATOM 879 CA ASP A 59 -4.539 11.325 7.676 1.00 1.00 C ATOM 880 C ASP A 59 -5.582 10.229 7.553 1.00 1.00 C ATOM 881 O ASP A 59 -6.200 9.850 8.545 1.00 1.00 O ATOM 882 CB ASP A 59 -5.238 12.678 7.768 1.00 1.00 C ATOM 883 CG ASP A 59 -4.239 13.750 8.181 1.00 1.00 C ATOM 884 OD1 ASP A 59 -3.177 13.388 8.661 1.00 1.00 O ATOM 885 OD2 ASP A 59 -4.549 14.917 8.010 1.00 1.00 O ATOM 0 H ASP A 59 -3.706 12.109 5.918 1.00 1.00 H new ATOM 0 HA ASP A 59 -3.951 11.158 8.579 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -5.682 12.934 6.806 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -6.052 12.628 8.492 1.00 1.00 H new ATOM 890 N LYS A 60 -5.781 9.732 6.330 1.00 1.00 N ATOM 891 CA LYS A 60 -6.747 8.662 6.084 1.00 1.00 C ATOM 892 C LYS A 60 -6.059 7.301 6.064 1.00 1.00 C ATOM 893 O LYS A 60 -6.705 6.266 6.223 1.00 1.00 O ATOM 894 CB LYS A 60 -7.454 8.891 4.751 1.00 1.00 C ATOM 895 CG LYS A 60 -8.366 10.112 4.866 1.00 1.00 C ATOM 896 CD LYS A 60 -9.094 10.329 3.542 1.00 1.00 C ATOM 897 CE LYS A 60 -10.009 11.549 3.654 1.00 1.00 C ATOM 898 NZ LYS A 60 -10.724 11.757 2.363 1.00 1.00 N ATOM 0 H LYS A 60 -5.287 10.053 5.497 1.00 1.00 H new ATOM 0 HA LYS A 60 -7.477 8.674 6.893 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -6.721 9.044 3.959 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.038 8.011 4.480 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -9.087 9.966 5.670 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -7.779 10.995 5.120 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -8.372 10.476 2.738 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -9.679 9.445 3.288 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -10.728 11.404 4.460 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -9.423 12.434 3.904 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -11.346 12.587 2.440 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -10.031 11.913 1.604 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -11.295 10.916 2.143 1.00 1.00 H new ATOM 912 N ALA A 61 -4.742 7.312 5.859 1.00 1.00 N ATOM 913 CA ALA A 61 -3.958 6.073 5.803 1.00 1.00 C ATOM 914 C ALA A 61 -3.113 5.897 7.061 1.00 1.00 C ATOM 915 O ALA A 61 -2.131 5.156 7.066 1.00 1.00 O ATOM 916 CB ALA A 61 -3.052 6.085 4.575 1.00 1.00 C ATOM 0 H ALA A 61 -4.194 8.162 5.729 1.00 1.00 H new ATOM 0 HA ALA A 61 -4.654 5.237 5.737 1.00 1.00 H new ATOM 0 HB1 ALA A 61 -2.473 5.162 4.541 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -3.661 6.165 3.674 1.00 1.00 H new ATOM 0 HB3 ALA A 61 -2.374 6.936 4.632 1.00 1.00 H new ATOM 922 N GLN A 62 -3.490 6.596 8.113 1.00 1.00 N ATOM 923 CA GLN A 62 -2.758 6.526 9.374 1.00 1.00 C ATOM 924 C GLN A 62 -3.031 5.206 10.092 1.00 1.00 C ATOM 925 O GLN A 62 -2.210 4.731 10.878 1.00 1.00 O ATOM 926 CB GLN A 62 -3.166 7.699 10.277 1.00 1.00 C ATOM 927 CG GLN A 62 -4.552 7.448 10.885 1.00 1.00 C ATOM 928 CD GLN A 62 -5.525 6.991 9.810 1.00 1.00 C ATOM 929 OE1 GLN A 62 -5.637 7.682 8.723 1.00 1.00 O flip ATOM 930 NE2 GLN A 62 -6.199 5.975 9.962 1.00 1.00 N flip ATOM 0 H GLN A 62 -4.297 7.220 8.126 1.00 1.00 H new ATOM 0 HA GLN A 62 -1.692 6.585 9.155 1.00 1.00 H new ATOM 0 HB2 GLN A 62 -2.431 7.827 11.072 1.00 1.00 H new ATOM 0 HB3 GLN A 62 -3.177 8.624 9.700 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -4.482 6.692 11.667 1.00 1.00 H new ATOM 0 HG3 GLN A 62 -4.921 8.360 11.355 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -6.112 5.429 10.819 1.00 1.00 H new ATOM 0 HE22 GLN A 62 -6.846 5.678 9.231 1.00 1.00 H new ATOM 939 N ASP A 63 -4.197 4.626 9.822 1.00 1.00 N ATOM 940 CA ASP A 63 -4.579 3.366 10.450 1.00 1.00 C ATOM 941 C ASP A 63 -3.916 2.193 9.740 1.00 1.00 C ATOM 942 O ASP A 63 -4.143 1.034 10.087 1.00 1.00 O ATOM 943 CB ASP A 63 -6.102 3.200 10.414 1.00 1.00 C ATOM 944 CG ASP A 63 -6.490 1.823 10.940 1.00 1.00 C ATOM 945 OD1 ASP A 63 -6.372 1.613 12.135 1.00 1.00 O ATOM 946 OD2 ASP A 63 -6.902 1.000 10.138 1.00 1.00 O ATOM 0 H ASP A 63 -4.890 5.006 9.177 1.00 1.00 H new ATOM 0 HA ASP A 63 -4.245 3.383 11.487 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -6.575 3.975 11.017 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -6.465 3.324 9.394 1.00 1.00 H new ATOM 951 N ILE A 64 -3.100 2.499 8.739 1.00 1.00 N ATOM 952 CA ILE A 64 -2.414 1.460 7.981 1.00 1.00 C ATOM 953 C ILE A 64 -1.218 0.940 8.759 1.00 1.00 C ATOM 954 O ILE A 64 -0.375 1.714 9.207 1.00 1.00 O ATOM 955 CB ILE A 64 -1.943 2.017 6.636 1.00 1.00 C ATOM 956 CG1 ILE A 64 -3.145 2.587 5.882 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.301 0.907 5.807 1.00 1.00 C ATOM 958 CD1 ILE A 64 -4.228 1.515 5.678 1.00 1.00 C ATOM 0 H ILE A 64 -2.898 3.451 8.435 1.00 1.00 H new ATOM 0 HA ILE A 64 -3.112 0.640 7.810 1.00 1.00 H new ATOM 0 HB ILE A 64 -1.207 2.802 6.808 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -3.561 3.428 6.437 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -2.823 2.972 4.914 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -0.969 1.312 4.851 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -0.445 0.499 6.345 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.030 0.116 5.632 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -5.071 1.947 5.139 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -3.816 0.686 5.102 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -4.566 1.150 6.648 1.00 1.00 H new ATOM 970 N SER A 65 -1.153 -0.381 8.913 1.00 1.00 N ATOM 971 CA SER A 65 -0.052 -1.014 9.640 1.00 1.00 C ATOM 972 C SER A 65 0.620 -2.069 8.773 1.00 1.00 C ATOM 973 O SER A 65 1.843 -2.191 8.778 1.00 1.00 O ATOM 974 CB SER A 65 -0.577 -1.660 10.919 1.00 1.00 C ATOM 975 OG SER A 65 0.507 -2.247 11.622 1.00 1.00 O ATOM 0 H SER A 65 -1.847 -1.033 8.546 1.00 1.00 H new ATOM 0 HA SER A 65 0.681 -0.249 9.896 1.00 1.00 H new ATOM 0 HB2 SER A 65 -1.069 -0.914 11.542 1.00 1.00 H new ATOM 0 HB3 SER A 65 -1.323 -2.417 10.679 1.00 1.00 H new ATOM 0 HG SER A 65 0.176 -2.662 12.446 1.00 1.00 H new ATOM 981 N THR A 66 -0.185 -2.832 8.033 1.00 1.00 N ATOM 982 CA THR A 66 0.347 -3.885 7.163 1.00 1.00 C ATOM 983 C THR A 66 -0.213 -3.750 5.753 1.00 1.00 C ATOM 984 O THR A 66 -1.136 -2.975 5.513 1.00 1.00 O ATOM 985 CB THR A 66 -0.018 -5.259 7.732 1.00 1.00 C ATOM 986 OG1 THR A 66 -1.343 -5.590 7.344 1.00 1.00 O ATOM 987 CG2 THR A 66 0.077 -5.227 9.258 1.00 1.00 C ATOM 0 H THR A 66 -1.201 -2.743 8.017 1.00 1.00 H new ATOM 0 HA THR A 66 1.431 -3.784 7.119 1.00 1.00 H new ATOM 0 HB THR A 66 0.674 -6.008 7.346 1.00 1.00 H new ATOM 0 HG1 THR A 66 -1.361 -6.503 6.988 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.183 -6.206 9.659 1.00 1.00 H new ATOM 0 HG22 THR A 66 1.095 -4.972 9.554 1.00 1.00 H new ATOM 0 HG23 THR A 66 -0.613 -4.479 9.650 1.00 1.00 H new ATOM 995 N ILE A 67 0.355 -4.503 4.824 1.00 1.00 N ATOM 996 CA ILE A 67 -0.089 -4.445 3.438 1.00 1.00 C ATOM 997 C ILE A 67 -1.590 -4.673 3.354 1.00 1.00 C ATOM 998 O ILE A 67 -2.292 -3.959 2.643 1.00 1.00 O ATOM 999 CB ILE A 67 0.636 -5.511 2.615 1.00 1.00 C ATOM 1000 CG1 ILE A 67 2.155 -5.345 2.769 1.00 1.00 C ATOM 1001 CG2 ILE A 67 0.249 -5.391 1.147 1.00 1.00 C ATOM 1002 CD1 ILE A 67 2.583 -3.925 2.366 1.00 1.00 C ATOM 0 H ILE A 67 1.118 -5.157 5.001 1.00 1.00 H new ATOM 0 HA ILE A 67 0.143 -3.458 3.039 1.00 1.00 H new ATOM 0 HB ILE A 67 0.345 -6.497 2.978 1.00 1.00 H new ATOM 0 HG12 ILE A 67 2.446 -5.540 3.801 1.00 1.00 H new ATOM 0 HG13 ILE A 67 2.672 -6.077 2.149 1.00 1.00 H new ATOM 0 HG21 ILE A 67 0.771 -6.154 0.570 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -0.827 -5.529 1.042 1.00 1.00 H new ATOM 0 HG23 ILE A 67 0.526 -4.404 0.777 1.00 1.00 H new ATOM 0 HD11 ILE A 67 3.662 -3.824 2.481 1.00 1.00 H new ATOM 0 HD12 ILE A 67 2.310 -3.744 1.326 1.00 1.00 H new ATOM 0 HD13 ILE A 67 2.081 -3.199 3.005 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.079 -5.665 4.082 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.505 -5.961 4.069 1.00 1.00 C ATOM 1016 C GLN A 68 -4.310 -4.718 4.445 1.00 1.00 C ATOM 1017 O GLN A 68 -5.341 -4.430 3.837 1.00 1.00 O ATOM 1018 CB GLN A 68 -3.799 -7.108 5.066 1.00 1.00 C ATOM 1019 CG GLN A 68 -4.072 -8.410 4.307 1.00 1.00 C ATOM 1020 CD GLN A 68 -5.469 -8.356 3.695 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -5.602 -8.287 2.400 1.00 1.00 O flip ATOM 1022 NE2 GLN A 68 -6.467 -8.355 4.418 1.00 1.00 N flip ATOM 0 H GLN A 68 -1.520 -6.272 4.682 1.00 1.00 H new ATOM 0 HA GLN A 68 -3.798 -6.269 3.065 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -2.952 -7.241 5.739 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.659 -6.851 5.684 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -3.326 -8.552 3.525 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -3.992 -9.262 4.983 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -6.363 -8.409 5.431 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -7.397 -8.300 4.003 1.00 1.00 H new ATOM 1031 N GLN A 69 -3.838 -3.995 5.450 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.532 -2.798 5.897 1.00 1.00 C ATOM 1033 C GLN A 69 -4.662 -1.805 4.748 1.00 1.00 C ATOM 1034 O GLN A 69 -5.734 -1.249 4.516 1.00 1.00 O ATOM 1035 CB GLN A 69 -3.761 -2.149 7.048 1.00 1.00 C ATOM 1036 CG GLN A 69 -3.592 -3.155 8.187 1.00 1.00 C ATOM 1037 CD GLN A 69 -4.955 -3.556 8.734 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -5.743 -2.700 9.134 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -5.282 -4.815 8.768 1.00 1.00 N ATOM 0 H GLN A 69 -2.986 -4.214 5.966 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.528 -3.079 6.240 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -2.785 -1.812 6.700 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -4.294 -1.268 7.404 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -3.061 -4.037 7.829 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -2.986 -2.719 8.981 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -4.626 -5.522 8.435 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -6.195 -5.095 9.127 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.566 -1.595 4.028 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.572 -0.674 2.898 1.00 1.00 C ATOM 1050 C ALA A 70 -4.469 -1.200 1.784 1.00 1.00 C ATOM 1051 O ALA A 70 -5.178 -0.433 1.135 1.00 1.00 O ATOM 1052 CB ALA A 70 -2.150 -0.485 2.368 1.00 1.00 C ATOM 0 H ALA A 70 -2.668 -2.046 4.205 1.00 1.00 H new ATOM 0 HA ALA A 70 -3.960 0.286 3.238 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -2.165 0.205 1.524 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.518 -0.078 3.158 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -1.752 -1.446 2.044 1.00 1.00 H new ATOM 1058 N ALA A 71 -4.429 -2.508 1.565 1.00 1.00 N ATOM 1059 CA ALA A 71 -5.242 -3.119 0.520 1.00 1.00 C ATOM 1060 C ALA A 71 -6.724 -3.015 0.856 1.00 1.00 C ATOM 1061 O ALA A 71 -7.542 -2.691 -0.001 1.00 1.00 O ATOM 1062 CB ALA A 71 -4.857 -4.590 0.356 1.00 1.00 C ATOM 0 H ALA A 71 -3.849 -3.161 2.091 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.058 -2.586 -0.413 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -5.468 -5.041 -0.426 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -3.805 -4.662 0.081 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -5.024 -5.117 1.296 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.066 -3.294 2.108 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.457 -3.238 2.538 1.00 1.00 C ATOM 1070 C ASP A 72 -9.023 -1.834 2.364 1.00 1.00 C ATOM 1071 O ASP A 72 -10.131 -1.660 1.855 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.562 -3.652 4.004 1.00 1.00 C ATOM 1073 CG ASP A 72 -8.337 -5.154 4.147 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -8.391 -5.840 3.141 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -8.115 -5.594 5.263 1.00 1.00 O ATOM 0 H ASP A 72 -6.405 -3.559 2.838 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.035 -3.925 1.920 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -7.825 -3.109 4.596 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -9.544 -3.386 4.395 1.00 1.00 H new ATOM 1080 N VAL A 73 -8.256 -0.836 2.784 1.00 1.00 N ATOM 1081 CA VAL A 73 -8.695 0.549 2.664 1.00 1.00 C ATOM 1082 C VAL A 73 -8.885 0.923 1.198 1.00 1.00 C ATOM 1083 O VAL A 73 -9.886 1.539 0.829 1.00 1.00 O ATOM 1084 CB VAL A 73 -7.662 1.482 3.305 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -7.981 2.938 2.948 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -7.703 1.313 4.826 1.00 1.00 C ATOM 0 H VAL A 73 -7.336 -0.957 3.207 1.00 1.00 H new ATOM 0 HA VAL A 73 -9.649 0.657 3.181 1.00 1.00 H new ATOM 0 HB VAL A 73 -6.670 1.230 2.931 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -7.243 3.595 3.407 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -7.954 3.062 1.865 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -8.974 3.194 3.317 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -6.969 1.975 5.286 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -8.698 1.563 5.193 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -7.471 0.280 5.084 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.920 0.549 0.366 1.00 1.00 N ATOM 1097 CA ILE A 74 -8.002 0.859 -1.055 1.00 1.00 C ATOM 1098 C ILE A 74 -9.231 0.198 -1.671 1.00 1.00 C ATOM 1099 O ILE A 74 -10.001 0.849 -2.374 1.00 1.00 O ATOM 1100 CB ILE A 74 -6.740 0.360 -1.766 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.543 1.223 -1.353 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -6.928 0.442 -3.287 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -4.240 0.530 -1.766 1.00 1.00 C ATOM 0 H ILE A 74 -7.083 0.038 0.646 1.00 1.00 H new ATOM 0 HA ILE A 74 -8.085 1.939 -1.175 1.00 1.00 H new ATOM 0 HB ILE A 74 -6.558 -0.677 -1.483 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.610 2.204 -1.824 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.554 1.385 -0.275 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -6.026 0.085 -3.785 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -7.775 -0.177 -3.583 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -7.117 1.476 -3.575 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.391 1.146 -1.471 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -4.172 -0.440 -1.274 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -4.229 0.391 -2.847 1.00 1.00 H new ATOM 1115 N GLU A 75 -9.414 -1.087 -1.395 1.00 1.00 N ATOM 1116 CA GLU A 75 -10.560 -1.811 -1.931 1.00 1.00 C ATOM 1117 C GLU A 75 -11.843 -1.019 -1.717 1.00 1.00 C ATOM 1118 O GLU A 75 -12.740 -1.031 -2.561 1.00 1.00 O ATOM 1119 CB GLU A 75 -10.677 -3.173 -1.239 1.00 1.00 C ATOM 1120 CG GLU A 75 -9.612 -4.122 -1.777 1.00 1.00 C ATOM 1121 CD GLU A 75 -9.962 -4.531 -3.203 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -11.127 -4.441 -3.557 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -9.063 -4.929 -3.921 1.00 1.00 O ATOM 0 H GLU A 75 -8.792 -1.644 -0.810 1.00 1.00 H new ATOM 0 HA GLU A 75 -10.412 -1.954 -3.001 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -10.560 -3.054 -0.162 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -11.669 -3.592 -1.408 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -8.636 -3.638 -1.756 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -9.543 -5.005 -1.142 1.00 1.00 H new ATOM 1130 N GLY A 76 -11.925 -0.338 -0.586 1.00 1.00 N ATOM 1131 CA GLY A 76 -13.111 0.455 -0.276 1.00 1.00 C ATOM 1132 C GLY A 76 -13.325 1.552 -1.317 1.00 1.00 C ATOM 1133 O GLY A 76 -14.449 1.782 -1.765 1.00 1.00 O ATOM 0 H GLY A 76 -11.196 -0.315 0.127 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -13.987 -0.193 -0.240 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -13.005 0.902 0.712 1.00 1.00 H new ATOM 1137 N LEU A 77 -12.244 2.226 -1.697 1.00 1.00 N ATOM 1138 CA LEU A 77 -12.333 3.299 -2.682 1.00 1.00 C ATOM 1139 C LEU A 77 -12.802 2.758 -4.026 1.00 1.00 C ATOM 1140 O LEU A 77 -13.647 3.361 -4.687 1.00 1.00 O ATOM 1141 CB LEU A 77 -10.966 3.965 -2.841 1.00 1.00 C ATOM 1142 CG LEU A 77 -10.596 4.691 -1.539 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -9.134 5.134 -1.603 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -11.504 5.923 -1.332 1.00 1.00 C ATOM 0 H LEU A 77 -11.304 2.051 -1.342 1.00 1.00 H new ATOM 0 HA LEU A 77 -13.059 4.033 -2.333 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -10.210 3.217 -3.080 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -10.988 4.672 -3.670 1.00 1.00 H new ATOM 0 HG LEU A 77 -10.737 4.009 -0.701 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -8.869 5.650 -0.680 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -8.494 4.260 -1.727 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -8.995 5.808 -2.448 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -11.229 6.426 -0.405 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -11.381 6.611 -2.169 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -12.544 5.603 -1.276 1.00 1.00 H new ATOM 1156 N LEU A 78 -12.254 1.615 -4.421 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.629 0.999 -5.684 1.00 1.00 C ATOM 1158 C LEU A 78 -14.114 0.652 -5.684 1.00 1.00 C ATOM 1159 O LEU A 78 -14.803 0.822 -6.690 1.00 1.00 O ATOM 1160 CB LEU A 78 -11.793 -0.271 -5.911 1.00 1.00 C ATOM 1161 CG LEU A 78 -10.445 0.101 -6.530 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -9.717 1.092 -5.628 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -9.598 -1.163 -6.696 1.00 1.00 C ATOM 0 H LEU A 78 -11.553 1.100 -3.888 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.436 1.705 -6.492 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -11.638 -0.790 -4.965 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -12.328 -0.957 -6.567 1.00 1.00 H new ATOM 0 HG LEU A 78 -10.609 0.561 -7.504 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -8.757 1.353 -6.074 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -10.321 1.992 -5.514 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -9.551 0.640 -4.650 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -8.636 -0.901 -7.137 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -9.437 -1.624 -5.721 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -10.117 -1.866 -7.348 1.00 1.00 H new ATOM 1175 N GLU A 79 -14.601 0.162 -4.554 1.00 1.00 N ATOM 1176 CA GLU A 79 -16.006 -0.198 -4.439 1.00 1.00 C ATOM 1177 C GLU A 79 -16.878 1.054 -4.367 1.00 1.00 C ATOM 1178 O GLU A 79 -17.944 1.110 -4.981 1.00 1.00 O ATOM 1179 CB GLU A 79 -16.226 -1.051 -3.191 1.00 1.00 C ATOM 1180 CG GLU A 79 -15.548 -2.409 -3.375 1.00 1.00 C ATOM 1181 CD GLU A 79 -15.673 -3.230 -2.097 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -16.266 -2.735 -1.154 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -15.173 -4.344 -2.080 1.00 1.00 O ATOM 0 H GLU A 79 -14.050 0.005 -3.710 1.00 1.00 H new ATOM 0 HA GLU A 79 -16.288 -0.771 -5.323 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -15.819 -0.545 -2.315 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -17.293 -1.186 -3.014 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -16.006 -2.944 -4.207 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -14.497 -2.269 -3.626 1.00 1.00 H new ATOM 1190 N LYS A 80 -16.426 2.054 -3.607 1.00 1.00 N ATOM 1191 CA LYS A 80 -17.173 3.282 -3.461 1.00 1.00 C ATOM 1192 C LYS A 80 -17.080 4.135 -4.718 1.00 1.00 C ATOM 1193 O LYS A 80 -18.096 4.576 -5.252 1.00 1.00 O ATOM 1194 CB LYS A 80 -16.624 4.067 -2.275 1.00 1.00 C ATOM 1195 CG LYS A 80 -16.990 3.358 -0.970 1.00 1.00 C ATOM 1196 CD LYS A 80 -16.429 4.145 0.218 1.00 1.00 C ATOM 1197 CE LYS A 80 -16.861 3.473 1.523 1.00 1.00 C ATOM 1198 NZ LYS A 80 -16.299 2.094 1.579 1.00 1.00 N ATOM 0 H LYS A 80 -15.548 2.027 -3.089 1.00 1.00 H new ATOM 0 HA LYS A 80 -18.220 3.030 -3.295 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -15.541 4.159 -2.358 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -17.031 5.078 -2.277 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -18.073 3.272 -0.883 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -16.588 2.345 -0.970 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -15.341 4.186 0.160 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -16.789 5.174 0.189 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -16.513 4.054 2.377 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -17.949 3.437 1.584 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -16.323 1.749 2.560 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -16.866 1.464 0.976 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -15.316 2.106 1.240 1.00 1.00 H new ATOM 1212 N LYS A 81 -15.857 4.367 -5.184 1.00 1.00 N ATOM 1213 CA LYS A 81 -15.647 5.179 -6.379 1.00 1.00 C ATOM 1214 C LYS A 81 -16.598 6.368 -6.403 1.00 1.00 C ATOM 1215 O LYS A 81 -16.294 7.430 -5.862 1.00 1.00 O ATOM 1216 CB LYS A 81 -15.860 4.319 -7.632 1.00 1.00 C ATOM 1217 CG LYS A 81 -14.623 3.449 -7.885 1.00 1.00 C ATOM 1218 CD LYS A 81 -13.498 4.286 -8.522 1.00 1.00 C ATOM 1219 CE LYS A 81 -12.509 3.371 -9.239 1.00 1.00 C ATOM 1220 NZ LYS A 81 -13.057 3.019 -10.578 1.00 1.00 N ATOM 0 H LYS A 81 -15.003 4.008 -4.757 1.00 1.00 H new ATOM 0 HA LYS A 81 -14.625 5.557 -6.364 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -16.739 3.688 -7.505 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -16.048 4.958 -8.495 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -14.276 3.017 -6.946 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -14.883 2.618 -8.541 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -13.921 5.002 -9.227 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -12.982 4.862 -7.754 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -11.545 3.869 -9.346 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -12.338 2.468 -8.653 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -12.651 2.115 -10.893 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -14.092 2.932 -10.518 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -12.812 3.765 -11.260 1.00 1.00 H new ATOM 1234 N ALA A 82 -17.747 6.180 -7.038 1.00 1.00 N ATOM 1235 CA ALA A 82 -18.736 7.243 -7.130 1.00 1.00 C ATOM 1236 C ALA A 82 -20.041 6.711 -7.712 1.00 1.00 C ATOM 1237 O ALA A 82 -20.246 5.510 -7.655 1.00 1.00 O ATOM 1238 CB ALA A 82 -18.205 8.374 -8.011 1.00 1.00 C ATOM 1239 OXT ALA A 82 -20.817 7.514 -8.205 1.00 1.00 O ATOM 0 H ALA A 82 -18.015 5.308 -7.494 1.00 1.00 H new ATOM 0 HA ALA A 82 -18.928 7.624 -6.127 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -18.951 9.166 -8.075 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -17.288 8.773 -7.577 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -17.997 7.990 -9.010 1.00 1.00 H new TER 1245 ALA A 82 HETATM 1246 O23 PNS A 101 7.654 11.267 6.883 1.00 1.00 O HETATM 1247 P24 PNS A 101 7.478 12.282 8.121 1.00 1.00 P HETATM 1248 O25 PNS A 101 7.174 13.626 7.582 1.00 1.00 O HETATM 1249 O26 PNS A 101 8.624 12.096 9.039 1.00 1.00 O HETATM 1250 O27 PNS A 101 6.156 11.720 8.849 1.00 1.00 O HETATM 1251 C28 PNS A 101 6.262 10.777 9.906 1.00 1.00 C HETATM 1252 C29 PNS A 101 4.937 10.020 10.044 1.00 1.00 C HETATM 1253 C30 PNS A 101 5.015 9.055 11.224 1.00 1.00 C HETATM 1254 C31 PNS A 101 4.666 9.241 8.751 1.00 1.00 C HETATM 1255 C32 PNS A 101 3.804 11.004 10.304 1.00 1.00 C HETATM 1256 O33 PNS A 101 3.700 11.868 9.185 1.00 1.00 O HETATM 1257 C34 PNS A 101 2.486 10.258 10.496 1.00 1.00 C HETATM 1258 O35 PNS A 101 1.729 10.062 9.545 1.00 1.00 O HETATM 1259 N36 PNS A 101 2.222 9.847 11.730 1.00 1.00 N HETATM 1260 C37 PNS A 101 0.995 9.124 12.037 1.00 1.00 C HETATM 1261 C38 PNS A 101 1.151 8.350 13.347 1.00 1.00 C HETATM 1262 C39 PNS A 101 2.383 7.453 13.279 1.00 1.00 C HETATM 1263 O40 PNS A 101 3.493 7.881 13.595 1.00 1.00 O HETATM 1264 N41 PNS A 101 2.178 6.206 12.868 1.00 1.00 N HETATM 1265 C42 PNS A 101 3.280 5.256 12.765 1.00 1.00 C HETATM 1266 C43 PNS A 101 2.752 3.870 12.391 1.00 1.00 C HETATM 1267 S44 PNS A 101 1.807 3.981 10.875 1.00 1.00 S HETATM 0 H432 PNS A 101 3.582 3.175 12.265 1.00 1.00 H new HETATM 0 H431 PNS A 101 2.127 3.478 13.194 1.00 1.00 H new HETATM 0 H422 PNS A 101 3.815 5.205 13.713 1.00 1.00 H new HETATM 0 H421 PNS A 101 3.993 5.596 12.014 1.00 1.00 H new HETATM 0 H382 PNS A 101 0.262 7.747 13.531 1.00 1.00 H new HETATM 0 H381 PNS A 101 1.243 9.045 14.181 1.00 1.00 H new HETATM 0 H372 PNS A 101 0.757 8.436 11.226 1.00 1.00 H new HETATM 0 H371 PNS A 101 0.163 9.823 12.116 1.00 1.00 H new HETATM 0 H313 PNS A 101 3.724 8.700 8.843 1.00 1.00 H new HETATM 0 H312 PNS A 101 5.476 8.533 8.576 1.00 1.00 H new HETATM 0 H311 PNS A 101 4.605 9.936 7.913 1.00 1.00 H new HETATM 0 H303 PNS A 101 4.071 8.519 11.319 1.00 1.00 H new HETATM 0 H302 PNS A 101 5.208 9.614 12.139 1.00 1.00 H new HETATM 0 H301 PNS A 101 5.822 8.342 11.058 1.00 1.00 H new HETATM 0 H282 PNS A 101 6.503 11.285 10.840 1.00 1.00 H new HETATM 0 H281 PNS A 101 7.074 10.078 9.705 1.00 1.00 H new HETATM 0 H41 PNS A 101 1.234 5.908 12.620 1.00 1.00 H new HETATM 0 H36 PNS A 101 2.890 10.041 12.476 1.00 1.00 H new HETATM 0 H33 PNS A 101 2.881 11.662 8.687 1.00 1.00 H new HETATM 0 H32 PNS A 101 4.013 11.574 11.209 1.00 1.00 H new HETATM 1288 C1 DKA A 102 2.732 4.009 9.401 1.00 1.00 C HETATM 1289 O1 DKA A 102 3.940 3.959 9.374 1.00 1.00 O HETATM 1290 C2 DKA A 102 1.848 4.100 8.193 1.00 1.00 C HETATM 1291 C3 DKA A 102 2.620 3.661 6.947 1.00 1.00 C HETATM 1292 C4 DKA A 102 1.640 3.419 5.798 1.00 1.00 C HETATM 1293 C5 DKA A 102 2.421 3.107 4.520 1.00 1.00 C HETATM 1294 C6 DKA A 102 1.478 2.506 3.480 1.00 1.00 C HETATM 1295 C7 DKA A 102 0.312 3.467 3.222 1.00 1.00 C HETATM 1296 C8 DKA A 102 -0.383 3.097 1.904 1.00 1.00 C HETATM 1297 C9 DKA A 102 -1.809 3.653 1.900 1.00 1.00 C HETATM 1298 C10 DKA A 102 -2.384 3.570 0.487 1.00 1.00 C HETATM 0 H103 DKA A 102 -1.764 4.155 -0.193 1.00 1.00 H new HETATM 0 H102 DKA A 102 -2.399 2.530 0.161 1.00 1.00 H new HETATM 0 H101 DKA A 102 -3.400 3.966 0.484 1.00 1.00 H new HETATM 0 H92 DKA A 102 -2.433 3.088 2.592 1.00 1.00 H new HETATM 0 H91 DKA A 102 -1.808 4.687 2.244 1.00 1.00 H new HETATM 0 H82 DKA A 102 0.177 3.500 1.060 1.00 1.00 H new HETATM 0 H81 DKA A 102 -0.404 2.014 1.784 1.00 1.00 H new HETATM 0 H72 DKA A 102 -0.400 3.419 4.046 1.00 1.00 H new HETATM 0 H71 DKA A 102 0.677 4.493 3.176 1.00 1.00 H new HETATM 0 H62 DKA A 102 2.018 2.317 2.552 1.00 1.00 H new HETATM 0 H61 DKA A 102 1.100 1.546 3.830 1.00 1.00 H new HETATM 0 H52 DKA A 102 2.878 4.016 4.129 1.00 1.00 H new HETATM 0 H51 DKA A 102 3.231 2.411 4.737 1.00 1.00 H new HETATM 0 H42 DKA A 102 0.974 2.591 6.042 1.00 1.00 H new HETATM 0 H41 DKA A 102 1.013 4.298 5.649 1.00 1.00 H new HETATM 0 H32 DKA A 102 3.344 4.426 6.666 1.00 1.00 H new HETATM 0 H31 DKA A 102 3.183 2.751 7.157 1.00 1.00 H new HETATM 0 H22 DKA A 102 0.969 3.470 8.327 1.00 1.00 H new HETATM 0 H21 DKA A 102 1.492 5.123 8.069 1.00 1.00 H new