USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 634 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 Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0333) USER MOD Single : A 9 THR OG1 : rot -163:sc= 0.103 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0565 USER MOD Single : A 15 HIS :FLIP no HD1:sc= -1.78 F(o=-2.4,f=-1.8) USER MOD Single : A 20 THR OG1 : rot 78:sc= 0.944 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 25 THR OG1 : rot 84:sc= 0.36 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -1.68 USER MOD Single : A 34 ASN : amide:sc= -0.0622 K(o=-0.062,f=-1.2) USER MOD Single : A 37 TYR OH : rot 180:sc= -1.18 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0.35) USER MOD Single : A 40 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0495) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.8 K(o=-1.8,f=-3.7!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -45:sc= 1.27 USER MOD Single : A 57 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.238) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.181 X(o=-0.18,f=-0.028) USER MOD Single : A 75 ASN : amide:sc= -6.14 K(o=-6.1,f=-21!) USER MOD Single : A 80 THR OG1 : rot 73:sc= 1.11 USER MOD Single : A 81 MET CE :methyl -149:sc= -0.259 (180deg=-0.479) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -3:sc= -2.32 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 10.669 -1.130 10.354 1.00 0.00 N ATOM 2 CA ALA A 2 10.347 -2.002 9.182 1.00 0.00 C ATOM 3 C ALA A 2 8.885 -1.793 8.771 1.00 0.00 C ATOM 4 O ALA A 2 8.159 -2.738 8.514 1.00 0.00 O ATOM 5 CB ALA A 2 10.573 -3.471 9.558 1.00 0.00 C ATOM 0 HA ALA A 2 10.996 -1.740 8.347 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.338 -4.106 8.703 1.00 0.00 H new ATOM 0 HB2 ALA A 2 11.615 -3.617 9.843 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.927 -3.736 10.395 1.00 0.00 H new ATOM 11 N GLN A 3 8.451 -0.561 8.710 1.00 0.00 N ATOM 12 CA GLN A 3 7.039 -0.275 8.321 1.00 0.00 C ATOM 13 C GLN A 3 6.851 1.236 8.171 1.00 0.00 C ATOM 14 O GLN A 3 7.800 1.996 8.228 1.00 0.00 O ATOM 15 CB GLN A 3 6.096 -0.803 9.406 1.00 0.00 C ATOM 16 CG GLN A 3 6.515 -0.246 10.768 1.00 0.00 C ATOM 17 CD GLN A 3 5.610 -0.823 11.858 1.00 0.00 C ATOM 18 OE1 GLN A 3 4.423 -0.564 11.877 1.00 0.00 O ATOM 19 NE2 GLN A 3 6.123 -1.600 12.772 1.00 0.00 N ATOM 0 H GLN A 3 9.017 0.263 8.914 1.00 0.00 H new ATOM 0 HA GLN A 3 6.813 -0.765 7.374 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.070 -0.511 9.183 1.00 0.00 H new ATOM 0 HB3 GLN A 3 6.121 -1.893 9.424 1.00 0.00 H new ATOM 0 HG2 GLN A 3 7.555 -0.501 10.972 1.00 0.00 H new ATOM 0 HG3 GLN A 3 6.448 0.842 10.764 1.00 0.00 H new ATOM 0 HE21 GLN A 3 7.119 -1.817 12.756 1.00 0.00 H new ATOM 0 HE22 GLN A 3 5.528 -1.990 13.503 1.00 0.00 H new ATOM 28 N LYS A 4 5.634 1.673 7.979 1.00 0.00 N ATOM 29 CA LYS A 4 5.371 3.133 7.822 1.00 0.00 C ATOM 30 C LYS A 4 3.861 3.381 7.848 1.00 0.00 C ATOM 31 O LYS A 4 3.072 2.455 7.849 1.00 0.00 O ATOM 32 CB LYS A 4 5.946 3.616 6.486 1.00 0.00 C ATOM 33 CG LYS A 4 7.322 4.254 6.713 1.00 0.00 C ATOM 34 CD LYS A 4 7.486 5.480 5.798 1.00 0.00 C ATOM 35 CE LYS A 4 7.469 6.762 6.637 1.00 0.00 C ATOM 36 NZ LYS A 4 6.112 7.375 6.580 1.00 0.00 N ATOM 0 H LYS A 4 4.807 1.078 7.924 1.00 0.00 H new ATOM 0 HA LYS A 4 5.845 3.679 8.638 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.033 2.779 5.793 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.271 4.339 6.029 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.428 4.551 7.756 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.108 3.528 6.507 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.423 5.409 5.245 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.682 5.506 5.062 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.735 6.537 7.670 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.213 7.465 6.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.100 8.245 7.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.875 7.603 5.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.412 6.705 6.957 1.00 0.00 H new ATOM 50 N THR A 5 3.458 4.625 7.865 1.00 0.00 N ATOM 51 CA THR A 5 2.002 4.946 7.886 1.00 0.00 C ATOM 52 C THR A 5 1.706 5.994 6.812 1.00 0.00 C ATOM 53 O THR A 5 2.429 6.961 6.663 1.00 0.00 O ATOM 54 CB THR A 5 1.621 5.499 9.262 1.00 0.00 C ATOM 55 OG1 THR A 5 2.287 4.752 10.270 1.00 0.00 O ATOM 56 CG2 THR A 5 0.108 5.392 9.459 1.00 0.00 C ATOM 0 H THR A 5 4.078 5.435 7.865 1.00 0.00 H new ATOM 0 HA THR A 5 1.423 4.044 7.688 1.00 0.00 H new ATOM 0 HB THR A 5 1.918 6.546 9.328 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.046 5.105 11.152 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.160 5.786 10.439 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.401 5.966 8.685 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.194 4.347 9.393 1.00 0.00 H new ATOM 64 N PHE A 6 0.653 5.803 6.057 1.00 0.00 N ATOM 65 CA PHE A 6 0.310 6.781 4.984 1.00 0.00 C ATOM 66 C PHE A 6 -1.116 7.292 5.183 1.00 0.00 C ATOM 67 O PHE A 6 -1.962 6.608 5.728 1.00 0.00 O ATOM 68 CB PHE A 6 0.418 6.096 3.621 1.00 0.00 C ATOM 69 CG PHE A 6 1.848 5.679 3.381 1.00 0.00 C ATOM 70 CD1 PHE A 6 2.322 4.470 3.904 1.00 0.00 C ATOM 71 CD2 PHE A 6 2.701 6.502 2.635 1.00 0.00 C ATOM 72 CE1 PHE A 6 3.649 4.083 3.681 1.00 0.00 C ATOM 73 CE2 PHE A 6 4.028 6.114 2.412 1.00 0.00 C ATOM 74 CZ PHE A 6 4.501 4.905 2.935 1.00 0.00 C ATOM 0 H PHE A 6 0.016 5.010 6.139 1.00 0.00 H new ATOM 0 HA PHE A 6 1.002 7.622 5.030 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -0.237 5.225 3.586 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.088 6.774 2.834 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.664 3.836 4.480 1.00 0.00 H new ATOM 0 HD2 PHE A 6 2.336 7.435 2.232 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.015 3.150 4.085 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.686 6.748 1.836 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.524 4.606 2.763 1.00 0.00 H new ATOM 84 N LYS A 7 -1.386 8.493 4.741 1.00 0.00 N ATOM 85 CA LYS A 7 -2.755 9.065 4.890 1.00 0.00 C ATOM 86 C LYS A 7 -3.448 9.078 3.527 1.00 0.00 C ATOM 87 O LYS A 7 -3.159 9.908 2.685 1.00 0.00 O ATOM 88 CB LYS A 7 -2.654 10.496 5.427 1.00 0.00 C ATOM 89 CG LYS A 7 -4.060 11.052 5.692 1.00 0.00 C ATOM 90 CD LYS A 7 -4.357 11.017 7.193 1.00 0.00 C ATOM 91 CE LYS A 7 -5.842 11.301 7.428 1.00 0.00 C ATOM 92 NZ LYS A 7 -6.129 12.732 7.122 1.00 0.00 N ATOM 0 H LYS A 7 -0.712 9.105 4.281 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.332 8.457 5.587 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.069 10.509 6.346 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.132 11.128 4.708 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.132 12.075 5.321 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.802 10.464 5.151 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.093 10.042 7.604 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.748 11.757 7.712 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.451 10.654 6.797 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.107 11.079 8.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.123 12.942 7.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.509 13.340 7.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.956 12.913 6.112 1.00 0.00 H new ATOM 106 N VAL A 8 -4.359 8.164 3.302 1.00 0.00 N ATOM 107 CA VAL A 8 -5.075 8.115 1.992 1.00 0.00 C ATOM 108 C VAL A 8 -5.839 9.425 1.779 1.00 0.00 C ATOM 109 O VAL A 8 -6.725 9.769 2.539 1.00 0.00 O ATOM 110 CB VAL A 8 -6.060 6.940 1.989 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.722 6.826 0.612 1.00 0.00 C ATOM 112 CG2 VAL A 8 -5.309 5.642 2.300 1.00 0.00 C ATOM 0 H VAL A 8 -4.638 7.448 3.972 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.352 7.982 1.188 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.825 7.110 2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.422 5.990 0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.259 7.748 0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.957 6.659 -0.147 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.009 4.807 2.298 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.543 5.475 1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.840 5.719 3.281 1.00 0.00 H new ATOM 122 N THR A 9 -5.496 10.155 0.748 1.00 0.00 N ATOM 123 CA THR A 9 -6.190 11.449 0.474 1.00 0.00 C ATOM 124 C THR A 9 -6.873 11.411 -0.903 1.00 0.00 C ATOM 125 O THR A 9 -7.636 12.296 -1.240 1.00 0.00 O ATOM 126 CB THR A 9 -5.163 12.583 0.499 1.00 0.00 C ATOM 127 OG1 THR A 9 -4.361 12.467 1.666 1.00 0.00 O ATOM 128 CG2 THR A 9 -5.887 13.930 0.507 1.00 0.00 C ATOM 0 H THR A 9 -4.763 9.909 0.083 1.00 0.00 H new ATOM 0 HA THR A 9 -6.950 11.614 1.238 1.00 0.00 H new ATOM 0 HB THR A 9 -4.530 12.520 -0.386 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.900 13.316 1.832 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.154 14.737 0.525 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.502 14.018 -0.389 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.522 13.997 1.391 1.00 0.00 H new ATOM 136 N ALA A 10 -6.606 10.403 -1.705 1.00 0.00 N ATOM 137 CA ALA A 10 -7.241 10.324 -3.058 1.00 0.00 C ATOM 138 C ALA A 10 -8.767 10.304 -2.920 1.00 0.00 C ATOM 139 O ALA A 10 -9.326 9.446 -2.269 1.00 0.00 O ATOM 140 CB ALA A 10 -6.780 9.046 -3.761 1.00 0.00 C ATOM 0 H ALA A 10 -5.976 9.634 -1.479 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.945 11.195 -3.643 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.241 8.986 -4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.695 9.061 -3.868 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.074 8.179 -3.170 1.00 0.00 H new ATOM 146 N ASP A 11 -9.433 11.252 -3.531 1.00 0.00 N ATOM 147 CA ASP A 11 -10.926 11.310 -3.454 1.00 0.00 C ATOM 148 C ASP A 11 -11.529 10.170 -4.278 1.00 0.00 C ATOM 149 O ASP A 11 -11.860 10.336 -5.436 1.00 0.00 O ATOM 150 CB ASP A 11 -11.424 12.657 -4.000 1.00 0.00 C ATOM 151 CG ASP A 11 -10.776 12.964 -5.359 1.00 0.00 C ATOM 152 OD1 ASP A 11 -10.164 12.074 -5.930 1.00 0.00 O ATOM 153 OD2 ASP A 11 -10.905 14.092 -5.808 1.00 0.00 O ATOM 0 H ASP A 11 -9.003 11.994 -4.084 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.234 11.208 -2.413 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.509 12.634 -4.105 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.189 13.452 -3.292 1.00 0.00 H new ATOM 158 N SER A 12 -11.675 9.012 -3.686 1.00 0.00 N ATOM 159 CA SER A 12 -12.256 7.838 -4.411 1.00 0.00 C ATOM 160 C SER A 12 -12.050 6.590 -3.556 1.00 0.00 C ATOM 161 O SER A 12 -12.878 5.698 -3.531 1.00 0.00 O ATOM 162 CB SER A 12 -11.555 7.636 -5.762 1.00 0.00 C ATOM 163 OG SER A 12 -10.162 7.868 -5.608 1.00 0.00 O ATOM 0 H SER A 12 -11.413 8.826 -2.718 1.00 0.00 H new ATOM 0 HA SER A 12 -13.316 8.016 -4.589 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.728 6.624 -6.127 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.969 8.318 -6.505 1.00 0.00 H new ATOM 0 HG SER A 12 -9.712 7.738 -6.469 1.00 0.00 H new ATOM 169 N GLY A 13 -10.947 6.527 -2.854 1.00 0.00 N ATOM 170 CA GLY A 13 -10.670 5.345 -1.991 1.00 0.00 C ATOM 171 C GLY A 13 -9.607 4.466 -2.653 1.00 0.00 C ATOM 172 O GLY A 13 -8.862 4.913 -3.504 1.00 0.00 O ATOM 0 H GLY A 13 -10.225 7.248 -2.843 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.327 5.671 -1.009 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.585 4.773 -1.836 1.00 0.00 H new ATOM 176 N ILE A 14 -9.532 3.219 -2.262 1.00 0.00 N ATOM 177 CA ILE A 14 -8.519 2.301 -2.859 1.00 0.00 C ATOM 178 C ILE A 14 -9.228 1.121 -3.530 1.00 0.00 C ATOM 179 O ILE A 14 -9.751 0.245 -2.868 1.00 0.00 O ATOM 180 CB ILE A 14 -7.596 1.782 -1.752 1.00 0.00 C ATOM 181 CG1 ILE A 14 -7.004 2.968 -0.972 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.467 0.950 -2.370 1.00 0.00 C ATOM 183 CD1 ILE A 14 -6.182 3.870 -1.903 1.00 0.00 C ATOM 0 H ILE A 14 -10.131 2.797 -1.553 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.932 2.838 -3.604 1.00 0.00 H new ATOM 0 HB ILE A 14 -8.169 1.156 -1.069 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -7.807 3.545 -0.513 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.373 2.600 -0.163 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.812 0.582 -1.580 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -6.892 0.105 -2.912 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.893 1.570 -3.058 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.771 4.703 -1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.367 3.294 -2.342 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.823 4.254 -2.697 1.00 0.00 H new ATOM 195 N HIS A 15 -9.248 1.097 -4.839 1.00 0.00 N ATOM 196 CA HIS A 15 -9.924 -0.019 -5.564 1.00 0.00 C ATOM 197 C HIS A 15 -8.914 -0.703 -6.524 1.00 0.00 C ATOM 198 O HIS A 15 -7.871 -1.153 -6.084 1.00 0.00 O ATOM 199 CB HIS A 15 -11.167 0.525 -6.300 1.00 0.00 C ATOM 200 CG HIS A 15 -10.825 1.787 -7.049 1.00 0.00 C ATOM 201 ND1 HIS A 15 -10.556 3.062 -6.616 1.00 0.00 N flip ATOM 202 CD2 HIS A 15 -10.735 1.832 -8.432 1.00 0.00 C flip ATOM 203 CE1 HIS A 15 -10.302 3.886 -7.707 1.00 0.00 C flip ATOM 204 NE2 HIS A 15 -10.423 3.095 -8.776 1.00 0.00 N flip ATOM 0 H HIS A 15 -8.823 1.805 -5.438 1.00 0.00 H new ATOM 0 HA HIS A 15 -10.268 -0.779 -4.862 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.544 -0.226 -6.994 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.963 0.725 -5.583 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -10.887 1.005 -9.109 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.059 4.938 -7.693 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -10.294 3.410 -9.738 1.00 0.00 H new ATOM 212 N ALA A 16 -9.200 -0.817 -7.810 1.00 0.00 N ATOM 213 CA ALA A 16 -8.244 -1.505 -8.735 1.00 0.00 C ATOM 214 C ALA A 16 -7.185 -0.532 -9.263 1.00 0.00 C ATOM 215 O ALA A 16 -6.081 -0.934 -9.578 1.00 0.00 O ATOM 216 CB ALA A 16 -9.022 -2.090 -9.914 1.00 0.00 C ATOM 0 H ALA A 16 -10.050 -0.464 -8.250 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.738 -2.296 -8.182 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.332 -2.593 -10.592 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.756 -2.807 -9.546 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.534 -1.288 -10.446 1.00 0.00 H new ATOM 222 N ARG A 17 -7.504 0.732 -9.380 1.00 0.00 N ATOM 223 CA ARG A 17 -6.500 1.710 -9.905 1.00 0.00 C ATOM 224 C ARG A 17 -5.268 1.754 -8.976 1.00 0.00 C ATOM 225 O ARG A 17 -4.159 1.565 -9.439 1.00 0.00 O ATOM 226 CB ARG A 17 -7.132 3.104 -10.004 1.00 0.00 C ATOM 227 CG ARG A 17 -7.512 3.400 -11.458 1.00 0.00 C ATOM 228 CD ARG A 17 -7.795 4.895 -11.618 1.00 0.00 C ATOM 229 NE ARG A 17 -6.600 5.677 -11.193 1.00 0.00 N ATOM 230 CZ ARG A 17 -5.794 6.174 -12.091 1.00 0.00 C ATOM 231 NH1 ARG A 17 -4.993 5.387 -12.757 1.00 0.00 N ATOM 232 NH2 ARG A 17 -5.788 7.458 -12.323 1.00 0.00 N ATOM 0 H ARG A 17 -8.411 1.129 -9.136 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.182 1.393 -10.898 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.016 3.158 -9.369 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.433 3.857 -9.641 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.704 3.099 -12.125 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.391 2.821 -11.740 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.039 5.120 -12.656 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.660 5.178 -11.018 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.412 5.824 -10.201 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.997 4.383 -12.576 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.363 5.776 -13.459 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.413 8.073 -11.802 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.158 7.846 -13.025 1.00 0.00 H new ATOM 246 N PRO A 18 -5.473 2.001 -7.691 1.00 0.00 N ATOM 247 CA PRO A 18 -4.357 2.065 -6.731 1.00 0.00 C ATOM 248 C PRO A 18 -3.871 0.656 -6.368 1.00 0.00 C ATOM 249 O PRO A 18 -2.733 0.470 -5.981 1.00 0.00 O ATOM 250 CB PRO A 18 -4.960 2.766 -5.512 1.00 0.00 C ATOM 251 CG PRO A 18 -6.488 2.563 -5.603 1.00 0.00 C ATOM 252 CD PRO A 18 -6.804 2.233 -7.073 1.00 0.00 C ATOM 0 HA PRO A 18 -3.488 2.589 -7.129 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.567 2.344 -4.587 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.709 3.827 -5.510 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.811 1.755 -4.947 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.017 3.461 -5.286 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.440 1.351 -7.155 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.331 3.053 -7.560 1.00 0.00 H new ATOM 260 N ALA A 19 -4.722 -0.334 -6.491 1.00 0.00 N ATOM 261 CA ALA A 19 -4.305 -1.728 -6.155 1.00 0.00 C ATOM 262 C ALA A 19 -3.442 -2.309 -7.283 1.00 0.00 C ATOM 263 O ALA A 19 -2.730 -3.276 -7.083 1.00 0.00 O ATOM 264 CB ALA A 19 -5.545 -2.601 -5.964 1.00 0.00 C ATOM 0 H ALA A 19 -5.686 -0.235 -6.809 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.722 -1.710 -5.234 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.240 -3.618 -5.719 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.152 -2.199 -5.153 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.129 -2.609 -6.884 1.00 0.00 H new ATOM 270 N THR A 20 -3.496 -1.735 -8.464 1.00 0.00 N ATOM 271 CA THR A 20 -2.676 -2.264 -9.597 1.00 0.00 C ATOM 272 C THR A 20 -1.301 -1.591 -9.586 1.00 0.00 C ATOM 273 O THR A 20 -0.293 -2.217 -9.862 1.00 0.00 O ATOM 274 CB THR A 20 -3.381 -1.970 -10.925 1.00 0.00 C ATOM 275 OG1 THR A 20 -4.693 -2.513 -10.893 1.00 0.00 O ATOM 276 CG2 THR A 20 -2.595 -2.603 -12.076 1.00 0.00 C ATOM 0 H THR A 20 -4.073 -0.924 -8.689 1.00 0.00 H new ATOM 0 HA THR A 20 -2.555 -3.342 -9.486 1.00 0.00 H new ATOM 0 HB THR A 20 -3.435 -0.892 -11.075 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.276 -1.928 -10.366 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.099 -2.392 -13.020 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.588 -2.187 -12.101 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.538 -3.681 -11.928 1.00 0.00 H new ATOM 284 N VAL A 21 -1.250 -0.323 -9.268 1.00 0.00 N ATOM 285 CA VAL A 21 0.062 0.389 -9.237 1.00 0.00 C ATOM 286 C VAL A 21 0.810 0.021 -7.946 1.00 0.00 C ATOM 287 O VAL A 21 2.025 0.041 -7.897 1.00 0.00 O ATOM 288 CB VAL A 21 -0.179 1.907 -9.301 1.00 0.00 C ATOM 289 CG1 VAL A 21 -1.015 2.356 -8.100 1.00 0.00 C ATOM 290 CG2 VAL A 21 1.165 2.645 -9.292 1.00 0.00 C ATOM 0 H VAL A 21 -2.060 0.249 -9.029 1.00 0.00 H new ATOM 0 HA VAL A 21 0.666 0.091 -10.094 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.717 2.141 -10.220 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.181 3.432 -8.154 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.975 1.840 -8.112 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.485 2.116 -7.178 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.990 3.720 -9.337 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.706 2.404 -8.377 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.755 2.337 -10.155 1.00 0.00 H new ATOM 300 N LEU A 22 0.087 -0.311 -6.904 1.00 0.00 N ATOM 301 CA LEU A 22 0.744 -0.677 -5.616 1.00 0.00 C ATOM 302 C LEU A 22 1.214 -2.133 -5.668 1.00 0.00 C ATOM 303 O LEU A 22 2.237 -2.480 -5.108 1.00 0.00 O ATOM 304 CB LEU A 22 -0.255 -0.506 -4.469 1.00 0.00 C ATOM 305 CG LEU A 22 -0.495 0.982 -4.217 1.00 0.00 C ATOM 306 CD1 LEU A 22 -1.698 1.155 -3.287 1.00 0.00 C ATOM 307 CD2 LEU A 22 0.745 1.595 -3.562 1.00 0.00 C ATOM 0 H LEU A 22 -0.932 -0.344 -6.893 1.00 0.00 H new ATOM 0 HA LEU A 22 1.604 -0.027 -5.454 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.195 -1.000 -4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.128 -0.981 -3.566 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.692 1.483 -5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.869 2.216 -3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.582 0.718 -3.751 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.500 0.654 -2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.574 2.656 -3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.942 1.093 -2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.603 1.472 -4.222 1.00 0.00 H new ATOM 319 N VAL A 23 0.474 -2.985 -6.330 1.00 0.00 N ATOM 320 CA VAL A 23 0.873 -4.422 -6.417 1.00 0.00 C ATOM 321 C VAL A 23 2.116 -4.559 -7.307 1.00 0.00 C ATOM 322 O VAL A 23 2.927 -5.446 -7.123 1.00 0.00 O ATOM 323 CB VAL A 23 -0.292 -5.236 -7.003 1.00 0.00 C ATOM 324 CG1 VAL A 23 -0.613 -4.749 -8.417 1.00 0.00 C ATOM 325 CG2 VAL A 23 0.082 -6.720 -7.048 1.00 0.00 C ATOM 0 H VAL A 23 -0.391 -2.747 -6.815 1.00 0.00 H new ATOM 0 HA VAL A 23 1.110 -4.800 -5.422 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.169 -5.102 -6.369 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.440 -5.332 -8.824 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.893 -3.696 -8.384 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.264 -4.872 -9.052 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.747 -7.292 -7.464 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.965 -6.854 -7.673 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.295 -7.072 -6.039 1.00 0.00 H new ATOM 335 N GLN A 24 2.261 -3.688 -8.272 1.00 0.00 N ATOM 336 CA GLN A 24 3.440 -3.759 -9.185 1.00 0.00 C ATOM 337 C GLN A 24 4.705 -3.333 -8.438 1.00 0.00 C ATOM 338 O GLN A 24 5.720 -4.001 -8.492 1.00 0.00 O ATOM 339 CB GLN A 24 3.217 -2.825 -10.377 1.00 0.00 C ATOM 340 CG GLN A 24 2.049 -3.340 -11.221 1.00 0.00 C ATOM 341 CD GLN A 24 2.561 -4.375 -12.223 1.00 0.00 C ATOM 342 OE1 GLN A 24 3.278 -4.042 -13.145 1.00 0.00 O ATOM 343 NE2 GLN A 24 2.221 -5.627 -12.079 1.00 0.00 N ATOM 0 H GLN A 24 1.610 -2.927 -8.467 1.00 0.00 H new ATOM 0 HA GLN A 24 3.559 -4.784 -9.537 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.007 -1.815 -10.026 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.121 -2.771 -10.984 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.290 -3.785 -10.578 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.574 -2.512 -11.748 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.619 -5.906 -11.304 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.558 -6.326 -12.741 1.00 0.00 H new ATOM 352 N THR A 25 4.654 -2.221 -7.747 1.00 0.00 N ATOM 353 CA THR A 25 5.855 -1.740 -6.999 1.00 0.00 C ATOM 354 C THR A 25 6.268 -2.780 -5.953 1.00 0.00 C ATOM 355 O THR A 25 7.430 -3.120 -5.831 1.00 0.00 O ATOM 356 CB THR A 25 5.523 -0.419 -6.300 1.00 0.00 C ATOM 357 OG1 THR A 25 4.957 0.482 -7.241 1.00 0.00 O ATOM 358 CG2 THR A 25 6.799 0.186 -5.714 1.00 0.00 C ATOM 0 H THR A 25 3.830 -1.625 -7.669 1.00 0.00 H new ATOM 0 HA THR A 25 6.677 -1.589 -7.699 1.00 0.00 H new ATOM 0 HB THR A 25 4.810 -0.602 -5.496 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.996 0.307 -7.325 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.561 1.126 -5.217 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.232 -0.507 -4.992 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.515 0.370 -6.515 1.00 0.00 H new ATOM 366 N ALA A 26 5.326 -3.281 -5.196 1.00 0.00 N ATOM 367 CA ALA A 26 5.655 -4.295 -4.151 1.00 0.00 C ATOM 368 C ALA A 26 6.200 -5.561 -4.814 1.00 0.00 C ATOM 369 O ALA A 26 7.037 -6.249 -4.260 1.00 0.00 O ATOM 370 CB ALA A 26 4.391 -4.641 -3.362 1.00 0.00 C ATOM 0 H ALA A 26 4.339 -3.030 -5.257 1.00 0.00 H new ATOM 0 HA ALA A 26 6.408 -3.886 -3.477 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.630 -5.381 -2.599 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.002 -3.741 -2.886 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.639 -5.047 -4.039 1.00 0.00 H new ATOM 376 N SER A 27 5.730 -5.872 -5.994 1.00 0.00 N ATOM 377 CA SER A 27 6.212 -7.095 -6.701 1.00 0.00 C ATOM 378 C SER A 27 7.694 -6.933 -7.062 1.00 0.00 C ATOM 379 O SER A 27 8.418 -7.905 -7.182 1.00 0.00 O ATOM 380 CB SER A 27 5.385 -7.304 -7.976 1.00 0.00 C ATOM 381 OG SER A 27 4.635 -8.506 -7.855 1.00 0.00 O ATOM 0 H SER A 27 5.030 -5.329 -6.500 1.00 0.00 H new ATOM 0 HA SER A 27 6.098 -7.962 -6.050 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.716 -6.458 -8.133 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.041 -7.357 -8.845 1.00 0.00 H new ATOM 0 HG SER A 27 4.103 -8.643 -8.667 1.00 0.00 H new ATOM 387 N LYS A 28 8.145 -5.717 -7.240 1.00 0.00 N ATOM 388 CA LYS A 28 9.577 -5.488 -7.599 1.00 0.00 C ATOM 389 C LYS A 28 10.486 -5.914 -6.442 1.00 0.00 C ATOM 390 O LYS A 28 11.646 -6.220 -6.641 1.00 0.00 O ATOM 391 CB LYS A 28 9.794 -4.001 -7.892 1.00 0.00 C ATOM 392 CG LYS A 28 9.090 -3.632 -9.199 1.00 0.00 C ATOM 393 CD LYS A 28 9.890 -4.183 -10.383 1.00 0.00 C ATOM 394 CE LYS A 28 8.931 -4.613 -11.493 1.00 0.00 C ATOM 395 NZ LYS A 28 9.678 -5.392 -12.520 1.00 0.00 N ATOM 0 H LYS A 28 7.582 -4.871 -7.152 1.00 0.00 H new ATOM 0 HA LYS A 28 9.822 -6.080 -8.481 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.404 -3.397 -7.073 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.860 -3.786 -7.967 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.079 -4.040 -9.208 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.997 -2.549 -9.281 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.577 -3.423 -10.756 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.496 -5.031 -10.063 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.125 -5.218 -11.078 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.470 -3.737 -11.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.026 -5.685 -13.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.432 -4.801 -12.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.098 -6.235 -12.079 1.00 0.00 H new ATOM 409 N TYR A 29 9.974 -5.929 -5.236 1.00 0.00 N ATOM 410 CA TYR A 29 10.813 -6.328 -4.067 1.00 0.00 C ATOM 411 C TYR A 29 10.386 -7.712 -3.574 1.00 0.00 C ATOM 412 O TYR A 29 9.212 -7.988 -3.412 1.00 0.00 O ATOM 413 CB TYR A 29 10.639 -5.303 -2.944 1.00 0.00 C ATOM 414 CG TYR A 29 10.937 -3.923 -3.479 1.00 0.00 C ATOM 415 CD1 TYR A 29 9.939 -3.201 -4.143 1.00 0.00 C ATOM 416 CD2 TYR A 29 12.213 -3.370 -3.319 1.00 0.00 C ATOM 417 CE1 TYR A 29 10.215 -1.926 -4.648 1.00 0.00 C ATOM 418 CE2 TYR A 29 12.489 -2.093 -3.822 1.00 0.00 C ATOM 419 CZ TYR A 29 11.491 -1.371 -4.487 1.00 0.00 C ATOM 420 OH TYR A 29 11.765 -0.114 -4.986 1.00 0.00 O ATOM 0 H TYR A 29 9.010 -5.682 -5.012 1.00 0.00 H new ATOM 0 HA TYR A 29 11.860 -6.364 -4.367 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.622 -5.343 -2.554 1.00 0.00 H new ATOM 0 HB3 TYR A 29 11.308 -5.537 -2.116 1.00 0.00 H new ATOM 0 HD1 TYR A 29 8.955 -3.629 -4.266 1.00 0.00 H new ATOM 0 HD2 TYR A 29 12.984 -3.928 -2.808 1.00 0.00 H new ATOM 0 HE1 TYR A 29 9.445 -1.370 -5.162 1.00 0.00 H new ATOM 0 HE2 TYR A 29 13.472 -1.665 -3.697 1.00 0.00 H new ATOM 0 HH TYR A 29 12.696 0.121 -4.788 1.00 0.00 H new ATOM 430 N ASP A 30 11.335 -8.580 -3.337 1.00 0.00 N ATOM 431 CA ASP A 30 11.001 -9.954 -2.856 1.00 0.00 C ATOM 432 C ASP A 30 10.519 -9.906 -1.399 1.00 0.00 C ATOM 433 O ASP A 30 9.937 -10.856 -0.907 1.00 0.00 O ATOM 434 CB ASP A 30 12.246 -10.840 -2.946 1.00 0.00 C ATOM 435 CG ASP A 30 12.447 -11.293 -4.394 1.00 0.00 C ATOM 436 OD1 ASP A 30 12.282 -10.470 -5.279 1.00 0.00 O ATOM 437 OD2 ASP A 30 12.760 -12.455 -4.592 1.00 0.00 O ATOM 0 H ASP A 30 12.331 -8.396 -3.456 1.00 0.00 H new ATOM 0 HA ASP A 30 10.207 -10.363 -3.480 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.122 -10.291 -2.601 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.136 -11.707 -2.295 1.00 0.00 H new ATOM 442 N ALA A 31 10.754 -8.817 -0.702 1.00 0.00 N ATOM 443 CA ALA A 31 10.309 -8.720 0.722 1.00 0.00 C ATOM 444 C ALA A 31 8.790 -8.905 0.804 1.00 0.00 C ATOM 445 O ALA A 31 8.089 -8.791 -0.183 1.00 0.00 O ATOM 446 CB ALA A 31 10.686 -7.348 1.281 1.00 0.00 C ATOM 0 H ALA A 31 11.235 -7.992 -1.061 1.00 0.00 H new ATOM 0 HA ALA A 31 10.798 -9.499 1.306 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.362 -7.277 2.319 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.767 -7.218 1.229 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.198 -6.570 0.694 1.00 0.00 H new ATOM 452 N ASP A 32 8.285 -9.194 1.976 1.00 0.00 N ATOM 453 CA ASP A 32 6.815 -9.393 2.135 1.00 0.00 C ATOM 454 C ASP A 32 6.149 -8.056 2.464 1.00 0.00 C ATOM 455 O ASP A 32 6.259 -7.553 3.566 1.00 0.00 O ATOM 456 CB ASP A 32 6.557 -10.385 3.271 1.00 0.00 C ATOM 457 CG ASP A 32 7.245 -11.714 2.955 1.00 0.00 C ATOM 458 OD1 ASP A 32 6.786 -12.397 2.053 1.00 0.00 O ATOM 459 OD2 ASP A 32 8.220 -12.026 3.619 1.00 0.00 O ATOM 0 H ASP A 32 8.830 -9.301 2.832 1.00 0.00 H new ATOM 0 HA ASP A 32 6.399 -9.785 1.207 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.934 -9.983 4.211 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.485 -10.539 3.397 1.00 0.00 H new ATOM 464 N VAL A 33 5.459 -7.481 1.513 1.00 0.00 N ATOM 465 CA VAL A 33 4.778 -6.175 1.758 1.00 0.00 C ATOM 466 C VAL A 33 3.294 -6.426 2.031 1.00 0.00 C ATOM 467 O VAL A 33 2.581 -6.944 1.192 1.00 0.00 O ATOM 468 CB VAL A 33 4.927 -5.279 0.524 1.00 0.00 C ATOM 469 CG1 VAL A 33 4.399 -3.879 0.844 1.00 0.00 C ATOM 470 CG2 VAL A 33 6.405 -5.186 0.133 1.00 0.00 C ATOM 0 H VAL A 33 5.338 -7.861 0.574 1.00 0.00 H new ATOM 0 HA VAL A 33 5.231 -5.681 2.618 1.00 0.00 H new ATOM 0 HB VAL A 33 4.358 -5.705 -0.303 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.505 -3.241 -0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.347 -3.942 1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.969 -3.456 1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.510 -4.548 -0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.974 -4.761 0.960 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.784 -6.182 -0.095 1.00 0.00 H new ATOM 480 N ASN A 34 2.827 -6.066 3.200 1.00 0.00 N ATOM 481 CA ASN A 34 1.389 -6.287 3.535 1.00 0.00 C ATOM 482 C ASN A 34 0.725 -4.948 3.861 1.00 0.00 C ATOM 483 O ASN A 34 1.388 -3.971 4.156 1.00 0.00 O ATOM 484 CB ASN A 34 1.280 -7.214 4.750 1.00 0.00 C ATOM 485 CG ASN A 34 2.110 -8.477 4.513 1.00 0.00 C ATOM 486 OD1 ASN A 34 2.257 -8.920 3.390 1.00 0.00 O ATOM 487 ND2 ASN A 34 2.664 -9.079 5.529 1.00 0.00 N ATOM 0 H ASN A 34 3.381 -5.628 3.937 1.00 0.00 H new ATOM 0 HA ASN A 34 0.889 -6.744 2.681 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.631 -6.699 5.644 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.237 -7.480 4.924 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.220 -9.921 5.381 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.541 -8.708 6.471 1.00 0.00 H new ATOM 494 N LEU A 35 -0.582 -4.904 3.812 1.00 0.00 N ATOM 495 CA LEU A 35 -1.310 -3.639 4.119 1.00 0.00 C ATOM 496 C LEU A 35 -2.217 -3.862 5.330 1.00 0.00 C ATOM 497 O LEU A 35 -2.969 -4.818 5.384 1.00 0.00 O ATOM 498 CB LEU A 35 -2.158 -3.232 2.912 1.00 0.00 C ATOM 499 CG LEU A 35 -2.406 -1.724 2.948 1.00 0.00 C ATOM 500 CD1 LEU A 35 -1.165 -0.990 2.440 1.00 0.00 C ATOM 501 CD2 LEU A 35 -3.600 -1.383 2.053 1.00 0.00 C ATOM 0 H LEU A 35 -1.178 -5.696 3.571 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.594 -2.848 4.339 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.649 -3.506 1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.107 -3.768 2.924 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.617 -1.415 3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.342 0.085 2.466 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.313 -1.233 3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.954 -1.298 1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.778 -0.308 2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.388 -1.692 1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.486 -1.906 2.413 1.00 0.00 H new ATOM 513 N GLU A 36 -2.149 -2.990 6.302 1.00 0.00 N ATOM 514 CA GLU A 36 -3.000 -3.145 7.517 1.00 0.00 C ATOM 515 C GLU A 36 -4.071 -2.053 7.537 1.00 0.00 C ATOM 516 O GLU A 36 -3.774 -0.878 7.424 1.00 0.00 O ATOM 517 CB GLU A 36 -2.129 -3.027 8.769 1.00 0.00 C ATOM 518 CG GLU A 36 -2.883 -3.600 9.972 1.00 0.00 C ATOM 519 CD GLU A 36 -2.137 -3.243 11.260 1.00 0.00 C ATOM 520 OE1 GLU A 36 -2.267 -2.114 11.702 1.00 0.00 O ATOM 521 OE2 GLU A 36 -1.449 -4.105 11.781 1.00 0.00 O ATOM 0 H GLU A 36 -1.537 -2.174 6.306 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.481 -4.123 7.499 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.192 -3.564 8.625 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.874 -1.983 8.950 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.896 -3.200 10.003 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.970 -4.682 9.878 1.00 0.00 H new ATOM 528 N TYR A 37 -5.314 -2.435 7.683 1.00 0.00 N ATOM 529 CA TYR A 37 -6.415 -1.427 7.713 1.00 0.00 C ATOM 530 C TYR A 37 -7.627 -2.004 8.449 1.00 0.00 C ATOM 531 O TYR A 37 -7.968 -3.160 8.290 1.00 0.00 O ATOM 532 CB TYR A 37 -6.817 -1.067 6.283 1.00 0.00 C ATOM 533 CG TYR A 37 -7.714 0.147 6.310 1.00 0.00 C ATOM 534 CD1 TYR A 37 -7.174 1.405 6.594 1.00 0.00 C ATOM 535 CD2 TYR A 37 -9.085 0.012 6.057 1.00 0.00 C ATOM 536 CE1 TYR A 37 -8.003 2.531 6.624 1.00 0.00 C ATOM 537 CE2 TYR A 37 -9.914 1.139 6.086 1.00 0.00 C ATOM 538 CZ TYR A 37 -9.373 2.399 6.370 1.00 0.00 C ATOM 539 OH TYR A 37 -10.191 3.510 6.400 1.00 0.00 O ATOM 0 H TYR A 37 -5.614 -3.405 7.783 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.068 -0.534 8.233 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.930 -0.865 5.683 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -7.334 -1.905 5.816 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.117 1.507 6.790 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.502 -0.960 5.840 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.586 3.503 6.843 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.971 1.037 5.889 1.00 0.00 H new ATOM 0 HH TYR A 37 -11.113 3.243 6.201 1.00 0.00 H new ATOM 549 N ASN A 38 -8.282 -1.199 9.249 1.00 0.00 N ATOM 550 CA ASN A 38 -9.481 -1.681 10.002 1.00 0.00 C ATOM 551 C ASN A 38 -9.083 -2.822 10.943 1.00 0.00 C ATOM 552 O ASN A 38 -9.846 -3.740 11.174 1.00 0.00 O ATOM 553 CB ASN A 38 -10.544 -2.180 9.016 1.00 0.00 C ATOM 554 CG ASN A 38 -11.937 -1.841 9.549 1.00 0.00 C ATOM 555 OD1 ASN A 38 -12.379 -2.406 10.530 1.00 0.00 O ATOM 556 ND2 ASN A 38 -12.654 -0.937 8.939 1.00 0.00 N ATOM 0 H ASN A 38 -8.036 -0.223 9.414 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.887 -0.857 10.588 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.395 -1.718 8.040 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.449 -3.257 8.877 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -13.585 -0.705 9.286 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -12.284 -0.462 8.116 1.00 0.00 H new ATOM 563 N GLY A 39 -7.895 -2.767 11.491 1.00 0.00 N ATOM 564 CA GLY A 39 -7.438 -3.842 12.424 1.00 0.00 C ATOM 565 C GLY A 39 -7.443 -5.191 11.709 1.00 0.00 C ATOM 566 O GLY A 39 -7.632 -6.227 12.319 1.00 0.00 O ATOM 0 H GLY A 39 -7.219 -2.020 11.331 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.435 -3.617 12.787 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.092 -3.881 13.295 1.00 0.00 H new ATOM 570 N LYS A 40 -7.222 -5.183 10.422 1.00 0.00 N ATOM 571 CA LYS A 40 -7.197 -6.459 9.656 1.00 0.00 C ATOM 572 C LYS A 40 -5.911 -6.523 8.841 1.00 0.00 C ATOM 573 O LYS A 40 -5.437 -5.527 8.332 1.00 0.00 O ATOM 574 CB LYS A 40 -8.396 -6.527 8.711 1.00 0.00 C ATOM 575 CG LYS A 40 -9.664 -6.827 9.512 1.00 0.00 C ATOM 576 CD LYS A 40 -9.921 -8.335 9.517 1.00 0.00 C ATOM 577 CE LYS A 40 -11.371 -8.606 9.923 1.00 0.00 C ATOM 578 NZ LYS A 40 -12.266 -8.379 8.753 1.00 0.00 N ATOM 0 H LYS A 40 -7.057 -4.343 9.867 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.243 -7.298 10.351 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.506 -5.583 8.178 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.237 -7.301 7.960 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.556 -6.463 10.534 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.515 -6.304 9.075 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.725 -8.751 8.529 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.240 -8.828 10.211 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.474 -9.631 10.280 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.658 -7.951 10.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.163 -7.966 9.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.806 -7.728 8.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.454 -9.285 8.279 1.00 0.00 H new ATOM 592 N THR A 41 -5.345 -7.689 8.717 1.00 0.00 N ATOM 593 CA THR A 41 -4.083 -7.833 7.936 1.00 0.00 C ATOM 594 C THR A 41 -4.400 -8.411 6.554 1.00 0.00 C ATOM 595 O THR A 41 -5.109 -9.391 6.432 1.00 0.00 O ATOM 596 CB THR A 41 -3.127 -8.771 8.676 1.00 0.00 C ATOM 597 OG1 THR A 41 -3.356 -8.670 10.075 1.00 0.00 O ATOM 598 CG2 THR A 41 -1.681 -8.382 8.363 1.00 0.00 C ATOM 0 H THR A 41 -5.702 -8.553 9.124 1.00 0.00 H new ATOM 0 HA THR A 41 -3.614 -6.856 7.821 1.00 0.00 H new ATOM 0 HB THR A 41 -3.301 -9.797 8.352 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.746 -9.271 10.551 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.002 -9.051 8.891 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.507 -8.461 7.290 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.502 -7.356 8.685 1.00 0.00 H new ATOM 606 N VAL A 42 -3.879 -7.806 5.517 1.00 0.00 N ATOM 607 CA VAL A 42 -4.144 -8.311 4.138 1.00 0.00 C ATOM 608 C VAL A 42 -2.845 -8.289 3.327 1.00 0.00 C ATOM 609 O VAL A 42 -1.781 -8.020 3.852 1.00 0.00 O ATOM 610 CB VAL A 42 -5.185 -7.417 3.459 1.00 0.00 C ATOM 611 CG1 VAL A 42 -6.524 -7.552 4.185 1.00 0.00 C ATOM 612 CG2 VAL A 42 -4.720 -5.959 3.517 1.00 0.00 C ATOM 0 H VAL A 42 -3.280 -6.982 5.567 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.521 -9.332 4.191 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.302 -7.721 2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.266 -6.916 3.702 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.856 -8.590 4.146 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.406 -7.247 5.225 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.460 -5.321 3.034 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.603 -5.655 4.557 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.765 -5.861 3.001 1.00 0.00 H new ATOM 622 N ASN A 43 -2.929 -8.570 2.052 1.00 0.00 N ATOM 623 CA ASN A 43 -1.706 -8.569 1.197 1.00 0.00 C ATOM 624 C ASN A 43 -1.739 -7.354 0.264 1.00 0.00 C ATOM 625 O ASN A 43 -2.754 -7.048 -0.333 1.00 0.00 O ATOM 626 CB ASN A 43 -1.668 -9.857 0.367 1.00 0.00 C ATOM 627 CG ASN A 43 -0.373 -9.912 -0.448 1.00 0.00 C ATOM 628 OD1 ASN A 43 -0.398 -10.210 -1.625 1.00 0.00 O ATOM 629 ND2 ASN A 43 0.764 -9.640 0.131 1.00 0.00 N ATOM 0 H ASN A 43 -3.795 -8.801 1.565 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.817 -8.517 1.826 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.733 -10.725 1.023 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.530 -9.896 -0.299 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.631 -9.678 -0.405 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.786 -9.390 1.120 1.00 0.00 H new ATOM 636 N LEU A 44 -0.635 -6.663 0.139 1.00 0.00 N ATOM 637 CA LEU A 44 -0.590 -5.466 -0.753 1.00 0.00 C ATOM 638 C LEU A 44 -0.694 -5.899 -2.221 1.00 0.00 C ATOM 639 O LEU A 44 -1.029 -5.105 -3.080 1.00 0.00 O ATOM 640 CB LEU A 44 0.726 -4.715 -0.533 1.00 0.00 C ATOM 641 CG LEU A 44 0.713 -3.410 -1.332 1.00 0.00 C ATOM 642 CD1 LEU A 44 -0.370 -2.480 -0.780 1.00 0.00 C ATOM 643 CD2 LEU A 44 2.076 -2.727 -1.214 1.00 0.00 C ATOM 0 H LEU A 44 0.240 -6.877 0.618 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.429 -4.812 -0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.862 -4.502 0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.567 -5.335 -0.844 1.00 0.00 H new ATOM 0 HG LEU A 44 0.503 -3.630 -2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.377 -1.551 -1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.343 -2.965 -0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.162 -2.261 0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.068 -1.797 -1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.285 -2.510 -0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.849 -3.387 -1.608 1.00 0.00 H new ATOM 655 N LYS A 45 -0.410 -7.146 -2.518 1.00 0.00 N ATOM 656 CA LYS A 45 -0.496 -7.621 -3.931 1.00 0.00 C ATOM 657 C LYS A 45 -1.853 -8.289 -4.171 1.00 0.00 C ATOM 658 O LYS A 45 -1.974 -9.189 -4.981 1.00 0.00 O ATOM 659 CB LYS A 45 0.624 -8.630 -4.200 1.00 0.00 C ATOM 660 CG LYS A 45 1.982 -7.961 -3.973 1.00 0.00 C ATOM 661 CD LYS A 45 3.081 -9.026 -3.969 1.00 0.00 C ATOM 662 CE LYS A 45 3.356 -9.473 -2.532 1.00 0.00 C ATOM 663 NZ LYS A 45 4.611 -10.276 -2.493 1.00 0.00 N ATOM 0 H LYS A 45 -0.123 -7.853 -1.841 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.390 -6.770 -4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.517 -9.492 -3.541 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.556 -9.000 -5.223 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.174 -7.228 -4.757 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.980 -7.422 -3.026 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.776 -9.880 -4.574 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.991 -8.626 -4.417 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.447 -8.604 -1.881 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.521 -10.065 -2.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.798 -10.580 -1.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.507 -11.112 -3.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.405 -9.696 -2.833 1.00 0.00 H new ATOM 677 N SER A 46 -2.874 -7.857 -3.473 1.00 0.00 N ATOM 678 CA SER A 46 -4.225 -8.459 -3.654 1.00 0.00 C ATOM 679 C SER A 46 -5.212 -7.371 -4.081 1.00 0.00 C ATOM 680 O SER A 46 -5.300 -6.327 -3.464 1.00 0.00 O ATOM 681 CB SER A 46 -4.686 -9.072 -2.332 1.00 0.00 C ATOM 682 OG SER A 46 -5.557 -10.162 -2.598 1.00 0.00 O ATOM 0 H SER A 46 -2.826 -7.108 -2.782 1.00 0.00 H new ATOM 0 HA SER A 46 -4.181 -9.233 -4.420 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.825 -9.412 -1.756 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.197 -8.322 -1.729 1.00 0.00 H new ATOM 0 HG SER A 46 -5.853 -10.558 -1.752 1.00 0.00 H new ATOM 688 N ILE A 47 -5.957 -7.612 -5.130 1.00 0.00 N ATOM 689 CA ILE A 47 -6.944 -6.597 -5.601 1.00 0.00 C ATOM 690 C ILE A 47 -8.273 -6.810 -4.873 1.00 0.00 C ATOM 691 O ILE A 47 -8.973 -5.869 -4.554 1.00 0.00 O ATOM 692 CB ILE A 47 -7.156 -6.752 -7.110 1.00 0.00 C ATOM 693 CG1 ILE A 47 -5.805 -6.664 -7.825 1.00 0.00 C ATOM 694 CG2 ILE A 47 -8.073 -5.636 -7.617 1.00 0.00 C ATOM 695 CD1 ILE A 47 -5.248 -8.073 -8.036 1.00 0.00 C ATOM 0 H ILE A 47 -5.923 -8.470 -5.681 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.568 -5.596 -5.390 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.616 -7.719 -7.314 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.921 -6.160 -8.784 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.107 -6.070 -7.235 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.223 -5.748 -8.691 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -9.035 -5.696 -7.108 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.615 -4.668 -7.413 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.286 -8.012 -8.545 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.117 -8.561 -7.070 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.944 -8.652 -8.643 1.00 0.00 H new ATOM 707 N MET A 48 -8.620 -8.044 -4.611 1.00 0.00 N ATOM 708 CA MET A 48 -9.901 -8.334 -3.902 1.00 0.00 C ATOM 709 C MET A 48 -9.682 -8.237 -2.390 1.00 0.00 C ATOM 710 O MET A 48 -10.591 -7.929 -1.642 1.00 0.00 O ATOM 711 CB MET A 48 -10.372 -9.745 -4.261 1.00 0.00 C ATOM 712 CG MET A 48 -11.894 -9.824 -4.135 1.00 0.00 C ATOM 713 SD MET A 48 -12.537 -11.037 -5.316 1.00 0.00 S ATOM 714 CE MET A 48 -13.544 -11.982 -4.147 1.00 0.00 C ATOM 0 H MET A 48 -8.069 -8.866 -4.859 1.00 0.00 H new ATOM 0 HA MET A 48 -10.657 -7.610 -4.205 1.00 0.00 H new ATOM 0 HB2 MET A 48 -10.068 -9.993 -5.278 1.00 0.00 H new ATOM 0 HB3 MET A 48 -9.904 -10.475 -3.601 1.00 0.00 H new ATOM 0 HG2 MET A 48 -12.171 -10.107 -3.120 1.00 0.00 H new ATOM 0 HG3 MET A 48 -12.336 -8.846 -4.325 1.00 0.00 H new ATOM 0 HE1 MET A 48 -14.042 -12.798 -4.672 1.00 0.00 H new ATOM 0 HE2 MET A 48 -12.905 -12.391 -3.364 1.00 0.00 H new ATOM 0 HE3 MET A 48 -14.293 -11.328 -3.700 1.00 0.00 H new ATOM 724 N GLY A 49 -8.481 -8.501 -1.936 1.00 0.00 N ATOM 725 CA GLY A 49 -8.191 -8.430 -0.473 1.00 0.00 C ATOM 726 C GLY A 49 -8.440 -7.008 0.037 1.00 0.00 C ATOM 727 O GLY A 49 -9.045 -6.810 1.074 1.00 0.00 O ATOM 0 H GLY A 49 -7.687 -8.764 -2.520 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.823 -9.136 0.067 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.157 -8.718 -0.284 1.00 0.00 H new ATOM 731 N VAL A 50 -7.973 -6.020 -0.684 1.00 0.00 N ATOM 732 CA VAL A 50 -8.175 -4.607 -0.247 1.00 0.00 C ATOM 733 C VAL A 50 -9.657 -4.234 -0.384 1.00 0.00 C ATOM 734 O VAL A 50 -10.184 -3.462 0.395 1.00 0.00 O ATOM 735 CB VAL A 50 -7.308 -3.679 -1.115 1.00 0.00 C ATOM 736 CG1 VAL A 50 -7.715 -3.806 -2.587 1.00 0.00 C ATOM 737 CG2 VAL A 50 -7.487 -2.228 -0.660 1.00 0.00 C ATOM 0 H VAL A 50 -7.460 -6.132 -1.558 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.881 -4.496 0.797 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.263 -3.968 -1.006 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.096 -3.145 -3.194 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.576 -4.836 -2.915 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.763 -3.527 -2.700 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.871 -1.574 -1.278 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.534 -1.942 -0.761 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.184 -2.134 0.383 1.00 0.00 H new ATOM 747 N VAL A 51 -10.328 -4.775 -1.370 1.00 0.00 N ATOM 748 CA VAL A 51 -11.774 -4.455 -1.566 1.00 0.00 C ATOM 749 C VAL A 51 -12.571 -4.923 -0.344 1.00 0.00 C ATOM 750 O VAL A 51 -13.543 -4.305 0.046 1.00 0.00 O ATOM 751 CB VAL A 51 -12.291 -5.165 -2.822 1.00 0.00 C ATOM 752 CG1 VAL A 51 -13.745 -4.761 -3.082 1.00 0.00 C ATOM 753 CG2 VAL A 51 -11.431 -4.767 -4.026 1.00 0.00 C ATOM 0 H VAL A 51 -9.935 -5.426 -2.049 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.895 -3.378 -1.686 1.00 0.00 H new ATOM 0 HB VAL A 51 -12.235 -6.243 -2.673 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -14.109 -5.268 -3.976 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -14.360 -5.045 -2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -13.802 -3.682 -3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -11.799 -5.272 -4.919 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.485 -3.688 -4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.396 -5.057 -3.846 1.00 0.00 H new ATOM 763 N SER A 52 -12.165 -6.012 0.258 1.00 0.00 N ATOM 764 CA SER A 52 -12.893 -6.527 1.456 1.00 0.00 C ATOM 765 C SER A 52 -12.712 -5.552 2.621 1.00 0.00 C ATOM 766 O SER A 52 -13.576 -5.415 3.465 1.00 0.00 O ATOM 767 CB SER A 52 -12.333 -7.895 1.844 1.00 0.00 C ATOM 768 OG SER A 52 -11.016 -7.736 2.354 1.00 0.00 O ATOM 0 H SER A 52 -11.359 -6.567 -0.029 1.00 0.00 H new ATOM 0 HA SER A 52 -13.954 -6.622 1.223 1.00 0.00 H new ATOM 0 HB2 SER A 52 -12.971 -8.363 2.593 1.00 0.00 H new ATOM 0 HB3 SER A 52 -12.322 -8.556 0.977 1.00 0.00 H new ATOM 0 HG SER A 52 -10.513 -7.124 1.777 1.00 0.00 H new ATOM 774 N LEU A 53 -11.592 -4.876 2.670 1.00 0.00 N ATOM 775 CA LEU A 53 -11.343 -3.907 3.777 1.00 0.00 C ATOM 776 C LEU A 53 -12.333 -2.746 3.671 1.00 0.00 C ATOM 777 O LEU A 53 -12.891 -2.303 4.657 1.00 0.00 O ATOM 778 CB LEU A 53 -9.915 -3.367 3.669 1.00 0.00 C ATOM 779 CG LEU A 53 -8.943 -4.364 4.300 1.00 0.00 C ATOM 780 CD1 LEU A 53 -7.574 -4.234 3.632 1.00 0.00 C ATOM 781 CD2 LEU A 53 -8.810 -4.066 5.796 1.00 0.00 C ATOM 0 H LEU A 53 -10.838 -4.955 1.988 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.472 -4.410 4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.655 -3.202 2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.841 -2.403 4.172 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.320 -5.377 4.162 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.881 -4.945 4.082 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.668 -4.443 2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.196 -3.221 3.771 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.117 -4.776 6.248 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.432 -3.053 5.933 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.786 -4.157 6.273 1.00 0.00 H new ATOM 793 N GLY A 54 -12.554 -2.253 2.478 1.00 0.00 N ATOM 794 CA GLY A 54 -13.507 -1.120 2.295 1.00 0.00 C ATOM 795 C GLY A 54 -12.805 0.198 2.624 1.00 0.00 C ATOM 796 O GLY A 54 -13.313 1.009 3.378 1.00 0.00 O ATOM 0 H GLY A 54 -12.113 -2.589 1.622 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.874 -1.102 1.269 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.375 -1.253 2.941 1.00 0.00 H new ATOM 800 N ILE A 55 -11.642 0.419 2.063 1.00 0.00 N ATOM 801 CA ILE A 55 -10.900 1.682 2.335 1.00 0.00 C ATOM 802 C ILE A 55 -11.540 2.822 1.545 1.00 0.00 C ATOM 803 O ILE A 55 -11.969 2.647 0.419 1.00 0.00 O ATOM 804 CB ILE A 55 -9.438 1.524 1.909 1.00 0.00 C ATOM 805 CG1 ILE A 55 -8.850 0.263 2.549 1.00 0.00 C ATOM 806 CG2 ILE A 55 -8.641 2.745 2.370 1.00 0.00 C ATOM 807 CD1 ILE A 55 -7.463 -0.011 1.963 1.00 0.00 C ATOM 0 H ILE A 55 -11.175 -0.226 1.426 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.941 1.905 3.401 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.384 1.439 0.824 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.781 0.390 3.629 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.507 -0.588 2.369 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.600 2.635 2.068 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.058 3.644 1.916 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -8.697 2.828 3.455 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.046 -0.909 2.420 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.545 -0.156 0.886 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.808 0.837 2.166 1.00 0.00 H new ATOM 819 N ALA A 56 -11.604 3.984 2.131 1.00 0.00 N ATOM 820 CA ALA A 56 -12.213 5.153 1.433 1.00 0.00 C ATOM 821 C ALA A 56 -11.306 6.375 1.596 1.00 0.00 C ATOM 822 O ALA A 56 -10.306 6.328 2.287 1.00 0.00 O ATOM 823 CB ALA A 56 -13.586 5.451 2.040 1.00 0.00 C ATOM 0 H ALA A 56 -11.258 4.177 3.071 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.326 4.925 0.373 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -14.032 6.305 1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.232 4.581 1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.473 5.679 3.100 1.00 0.00 H new ATOM 829 N LYS A 57 -11.651 7.467 0.962 1.00 0.00 N ATOM 830 CA LYS A 57 -10.816 8.702 1.067 1.00 0.00 C ATOM 831 C LYS A 57 -10.727 9.150 2.530 1.00 0.00 C ATOM 832 O LYS A 57 -11.619 8.902 3.320 1.00 0.00 O ATOM 833 CB LYS A 57 -11.448 9.819 0.224 1.00 0.00 C ATOM 834 CG LYS A 57 -12.879 10.092 0.705 1.00 0.00 C ATOM 835 CD LYS A 57 -13.545 11.110 -0.222 1.00 0.00 C ATOM 836 CE LYS A 57 -15.032 10.776 -0.364 1.00 0.00 C ATOM 837 NZ LYS A 57 -15.668 10.756 0.985 1.00 0.00 N ATOM 0 H LYS A 57 -12.479 7.557 0.373 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.813 8.489 0.698 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.850 10.727 0.301 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.457 9.532 -0.827 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.453 9.165 0.717 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.864 10.471 1.727 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.424 12.116 0.179 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.064 11.097 -1.200 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.523 11.514 -0.998 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.153 9.808 -0.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.703 10.767 0.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.380 9.895 1.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.366 11.593 1.524 1.00 0.00 H new ATOM 851 N GLY A 58 -9.655 9.810 2.892 1.00 0.00 N ATOM 852 CA GLY A 58 -9.497 10.283 4.299 1.00 0.00 C ATOM 853 C GLY A 58 -9.374 9.079 5.236 1.00 0.00 C ATOM 854 O GLY A 58 -10.063 8.988 6.234 1.00 0.00 O ATOM 0 H GLY A 58 -8.880 10.042 2.270 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.612 10.914 4.384 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.353 10.894 4.586 1.00 0.00 H new ATOM 858 N ALA A 59 -8.499 8.157 4.921 1.00 0.00 N ATOM 859 CA ALA A 59 -8.326 6.956 5.790 1.00 0.00 C ATOM 860 C ALA A 59 -6.858 6.830 6.202 1.00 0.00 C ATOM 861 O ALA A 59 -6.005 7.547 5.715 1.00 0.00 O ATOM 862 CB ALA A 59 -8.747 5.704 5.017 1.00 0.00 C ATOM 0 H ALA A 59 -7.897 8.186 4.098 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.945 7.060 6.681 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.621 4.826 5.650 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.793 5.792 4.723 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.127 5.601 4.126 1.00 0.00 H new ATOM 868 N GLU A 60 -6.561 5.924 7.098 1.00 0.00 N ATOM 869 CA GLU A 60 -5.151 5.741 7.551 1.00 0.00 C ATOM 870 C GLU A 60 -4.759 4.268 7.418 1.00 0.00 C ATOM 871 O GLU A 60 -5.481 3.385 7.843 1.00 0.00 O ATOM 872 CB GLU A 60 -5.024 6.172 9.014 1.00 0.00 C ATOM 873 CG GLU A 60 -4.990 7.700 9.095 1.00 0.00 C ATOM 874 CD GLU A 60 -4.961 8.133 10.561 1.00 0.00 C ATOM 875 OE1 GLU A 60 -5.608 7.482 11.365 1.00 0.00 O ATOM 876 OE2 GLU A 60 -4.290 9.109 10.857 1.00 0.00 O ATOM 0 H GLU A 60 -7.239 5.301 7.537 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.490 6.350 6.934 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.863 5.785 9.592 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.117 5.754 9.450 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.112 8.083 8.574 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.864 8.121 8.598 1.00 0.00 H new ATOM 883 N ILE A 61 -3.622 3.999 6.829 1.00 0.00 N ATOM 884 CA ILE A 61 -3.175 2.583 6.660 1.00 0.00 C ATOM 885 C ILE A 61 -1.741 2.433 7.171 1.00 0.00 C ATOM 886 O ILE A 61 -1.052 3.406 7.411 1.00 0.00 O ATOM 887 CB ILE A 61 -3.231 2.204 5.179 1.00 0.00 C ATOM 888 CG1 ILE A 61 -2.440 3.228 4.359 1.00 0.00 C ATOM 889 CG2 ILE A 61 -4.686 2.189 4.709 1.00 0.00 C ATOM 890 CD1 ILE A 61 -1.772 2.531 3.173 1.00 0.00 C ATOM 0 H ILE A 61 -2.982 4.701 6.457 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.832 1.926 7.229 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.796 1.214 5.042 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.105 4.016 4.004 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.686 3.705 4.985 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.725 1.919 3.654 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.249 1.459 5.291 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.123 3.178 4.847 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.210 3.261 2.591 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.094 1.760 3.539 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.535 2.074 2.542 1.00 0.00 H new ATOM 902 N THR A 62 -1.289 1.215 7.335 1.00 0.00 N ATOM 903 CA THR A 62 0.099 0.985 7.829 1.00 0.00 C ATOM 904 C THR A 62 0.753 -0.121 7.000 1.00 0.00 C ATOM 905 O THR A 62 0.305 -1.252 7.001 1.00 0.00 O ATOM 906 CB THR A 62 0.055 0.563 9.300 1.00 0.00 C ATOM 907 OG1 THR A 62 -0.854 1.399 10.002 1.00 0.00 O ATOM 908 CG2 THR A 62 1.450 0.693 9.911 1.00 0.00 C ATOM 0 H THR A 62 -1.825 0.368 7.147 1.00 0.00 H new ATOM 0 HA THR A 62 0.678 1.904 7.734 1.00 0.00 H new ATOM 0 HB THR A 62 -0.274 -0.474 9.373 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.885 1.130 10.944 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.418 0.392 10.958 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.145 0.051 9.370 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.783 1.729 9.841 1.00 0.00 H new ATOM 916 N ILE A 63 1.805 0.197 6.291 1.00 0.00 N ATOM 917 CA ILE A 63 2.487 -0.833 5.453 1.00 0.00 C ATOM 918 C ILE A 63 3.606 -1.493 6.265 1.00 0.00 C ATOM 919 O ILE A 63 4.119 -0.928 7.210 1.00 0.00 O ATOM 920 CB ILE A 63 3.072 -0.160 4.203 1.00 0.00 C ATOM 921 CG1 ILE A 63 1.936 0.482 3.402 1.00 0.00 C ATOM 922 CG2 ILE A 63 3.784 -1.199 3.332 1.00 0.00 C ATOM 923 CD1 ILE A 63 2.518 1.283 2.236 1.00 0.00 C ATOM 0 H ILE A 63 2.222 1.127 6.256 1.00 0.00 H new ATOM 0 HA ILE A 63 1.771 -1.596 5.149 1.00 0.00 H new ATOM 0 HB ILE A 63 3.790 0.602 4.506 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.262 -0.288 3.027 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.347 1.135 4.046 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.196 -0.712 2.448 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.591 -1.660 3.902 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.073 -1.966 3.026 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.708 1.739 1.667 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.174 2.063 2.622 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.088 0.618 1.587 1.00 0.00 H new ATOM 935 N SER A 64 3.983 -2.691 5.893 1.00 0.00 N ATOM 936 CA SER A 64 5.067 -3.405 6.627 1.00 0.00 C ATOM 937 C SER A 64 5.871 -4.254 5.641 1.00 0.00 C ATOM 938 O SER A 64 5.325 -4.832 4.721 1.00 0.00 O ATOM 939 CB SER A 64 4.449 -4.310 7.694 1.00 0.00 C ATOM 940 OG SER A 64 3.406 -5.080 7.109 1.00 0.00 O ATOM 0 H SER A 64 3.583 -3.206 5.108 1.00 0.00 H new ATOM 0 HA SER A 64 5.725 -2.679 7.104 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.210 -4.967 8.115 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.057 -3.709 8.515 1.00 0.00 H new ATOM 0 HG SER A 64 3.008 -5.663 7.789 1.00 0.00 H new ATOM 946 N ALA A 65 7.165 -4.329 5.826 1.00 0.00 N ATOM 947 CA ALA A 65 8.012 -5.138 4.901 1.00 0.00 C ATOM 948 C ALA A 65 8.928 -6.056 5.714 1.00 0.00 C ATOM 949 O ALA A 65 9.509 -5.647 6.702 1.00 0.00 O ATOM 950 CB ALA A 65 8.862 -4.201 4.040 1.00 0.00 C ATOM 0 H ALA A 65 7.671 -3.864 6.579 1.00 0.00 H new ATOM 0 HA ALA A 65 7.372 -5.743 4.259 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.481 -4.790 3.364 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.210 -3.549 3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.501 -3.596 4.683 1.00 0.00 H new ATOM 956 N SER A 66 9.059 -7.291 5.303 1.00 0.00 N ATOM 957 CA SER A 66 9.935 -8.245 6.044 1.00 0.00 C ATOM 958 C SER A 66 10.654 -9.156 5.048 1.00 0.00 C ATOM 959 O SER A 66 10.096 -10.122 4.564 1.00 0.00 O ATOM 960 CB SER A 66 9.081 -9.094 6.987 1.00 0.00 C ATOM 961 OG SER A 66 8.447 -8.248 7.937 1.00 0.00 O ATOM 0 H SER A 66 8.595 -7.680 4.483 1.00 0.00 H new ATOM 0 HA SER A 66 10.671 -7.688 6.623 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.333 -9.647 6.419 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.703 -9.830 7.496 1.00 0.00 H new ATOM 0 HG SER A 66 7.898 -8.789 8.542 1.00 0.00 H new ATOM 967 N GLY A 67 11.890 -8.854 4.741 1.00 0.00 N ATOM 968 CA GLY A 67 12.656 -9.696 3.777 1.00 0.00 C ATOM 969 C GLY A 67 14.075 -9.145 3.630 1.00 0.00 C ATOM 970 O GLY A 67 14.664 -8.667 4.581 1.00 0.00 O ATOM 0 H GLY A 67 12.402 -8.057 5.119 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.690 -10.728 4.127 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.156 -9.704 2.808 1.00 0.00 H new ATOM 974 N ALA A 68 14.626 -9.208 2.444 1.00 0.00 N ATOM 975 CA ALA A 68 16.009 -8.690 2.226 1.00 0.00 C ATOM 976 C ALA A 68 15.947 -7.200 1.883 1.00 0.00 C ATOM 977 O ALA A 68 16.625 -6.389 2.486 1.00 0.00 O ATOM 978 CB ALA A 68 16.663 -9.453 1.073 1.00 0.00 C ATOM 0 H ALA A 68 14.175 -9.597 1.616 1.00 0.00 H new ATOM 0 HA ALA A 68 16.597 -8.829 3.133 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.673 -9.075 0.913 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.707 -10.514 1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 68 16.076 -9.314 0.165 1.00 0.00 H new ATOM 984 N ASP A 69 15.139 -6.837 0.920 1.00 0.00 N ATOM 985 CA ASP A 69 15.027 -5.400 0.532 1.00 0.00 C ATOM 986 C ASP A 69 13.749 -4.808 1.133 1.00 0.00 C ATOM 987 O ASP A 69 13.047 -4.044 0.497 1.00 0.00 O ATOM 988 CB ASP A 69 14.983 -5.277 -0.997 1.00 0.00 C ATOM 989 CG ASP A 69 13.921 -6.221 -1.569 1.00 0.00 C ATOM 990 OD1 ASP A 69 12.935 -6.459 -0.890 1.00 0.00 O ATOM 991 OD2 ASP A 69 14.112 -6.692 -2.678 1.00 0.00 O ATOM 0 H ASP A 69 14.551 -7.476 0.385 1.00 0.00 H new ATOM 0 HA ASP A 69 15.892 -4.855 0.910 1.00 0.00 H new ATOM 0 HB2 ASP A 69 14.758 -4.249 -1.281 1.00 0.00 H new ATOM 0 HB3 ASP A 69 15.959 -5.518 -1.418 1.00 0.00 H new ATOM 996 N GLU A 70 13.448 -5.159 2.356 1.00 0.00 N ATOM 997 CA GLU A 70 12.219 -4.627 3.016 1.00 0.00 C ATOM 998 C GLU A 70 12.328 -3.107 3.164 1.00 0.00 C ATOM 999 O GLU A 70 11.331 -2.410 3.197 1.00 0.00 O ATOM 1000 CB GLU A 70 12.065 -5.264 4.399 1.00 0.00 C ATOM 1001 CG GLU A 70 13.356 -5.070 5.200 1.00 0.00 C ATOM 1002 CD GLU A 70 13.083 -5.329 6.682 1.00 0.00 C ATOM 1003 OE1 GLU A 70 12.366 -6.272 6.976 1.00 0.00 O ATOM 1004 OE2 GLU A 70 13.594 -4.580 7.498 1.00 0.00 O ATOM 0 H GLU A 70 14.003 -5.794 2.929 1.00 0.00 H new ATOM 0 HA GLU A 70 11.350 -4.868 2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.226 -4.812 4.927 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.843 -6.327 4.299 1.00 0.00 H new ATOM 0 HG2 GLU A 70 14.127 -5.750 4.837 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.734 -4.057 5.061 1.00 0.00 H new ATOM 1011 N ASN A 71 13.527 -2.590 3.258 1.00 0.00 N ATOM 1012 CA ASN A 71 13.704 -1.116 3.410 1.00 0.00 C ATOM 1013 C ASN A 71 13.447 -0.426 2.068 1.00 0.00 C ATOM 1014 O ASN A 71 12.744 0.562 1.997 1.00 0.00 O ATOM 1015 CB ASN A 71 15.132 -0.817 3.872 1.00 0.00 C ATOM 1016 CG ASN A 71 15.182 -0.802 5.401 1.00 0.00 C ATOM 1017 OD1 ASN A 71 15.940 -1.536 6.003 1.00 0.00 O ATOM 1018 ND2 ASN A 71 14.400 0.011 6.058 1.00 0.00 N ATOM 0 H ASN A 71 14.393 -3.128 3.236 1.00 0.00 H new ATOM 0 HA ASN A 71 12.997 -0.742 4.150 1.00 0.00 H new ATOM 0 HB2 ASN A 71 15.817 -1.571 3.483 1.00 0.00 H new ATOM 0 HB3 ASN A 71 15.459 0.145 3.478 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.425 0.030 7.078 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.764 0.627 5.552 1.00 0.00 H new ATOM 1025 N ASP A 72 14.018 -0.937 1.009 1.00 0.00 N ATOM 1026 CA ASP A 72 13.815 -0.313 -0.333 1.00 0.00 C ATOM 1027 C ASP A 72 12.359 -0.482 -0.789 1.00 0.00 C ATOM 1028 O ASP A 72 11.905 0.206 -1.683 1.00 0.00 O ATOM 1029 CB ASP A 72 14.743 -0.983 -1.348 1.00 0.00 C ATOM 1030 CG ASP A 72 16.197 -0.642 -1.015 1.00 0.00 C ATOM 1031 OD1 ASP A 72 16.631 -0.987 0.072 1.00 0.00 O ATOM 1032 OD2 ASP A 72 16.852 -0.041 -1.851 1.00 0.00 O ATOM 0 H ASP A 72 14.618 -1.762 1.015 1.00 0.00 H new ATOM 0 HA ASP A 72 14.042 0.751 -0.265 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.599 -2.063 -1.330 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.501 -0.645 -2.356 1.00 0.00 H new ATOM 1037 N ALA A 73 11.628 -1.395 -0.194 1.00 0.00 N ATOM 1038 CA ALA A 73 10.209 -1.610 -0.607 1.00 0.00 C ATOM 1039 C ALA A 73 9.296 -0.559 0.036 1.00 0.00 C ATOM 1040 O ALA A 73 8.498 0.067 -0.635 1.00 0.00 O ATOM 1041 CB ALA A 73 9.761 -3.006 -0.168 1.00 0.00 C ATOM 0 H ALA A 73 11.955 -1.999 0.560 1.00 0.00 H new ATOM 0 HA ALA A 73 10.141 -1.519 -1.691 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.725 -3.167 -0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.396 -3.757 -0.639 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.842 -3.090 0.916 1.00 0.00 H new ATOM 1047 N LEU A 74 9.388 -0.379 1.332 1.00 0.00 N ATOM 1048 CA LEU A 74 8.504 0.613 2.018 1.00 0.00 C ATOM 1049 C LEU A 74 8.797 2.038 1.530 1.00 0.00 C ATOM 1050 O LEU A 74 7.884 2.806 1.287 1.00 0.00 O ATOM 1051 CB LEU A 74 8.704 0.530 3.537 1.00 0.00 C ATOM 1052 CG LEU A 74 10.177 0.750 3.889 1.00 0.00 C ATOM 1053 CD1 LEU A 74 10.416 2.228 4.208 1.00 0.00 C ATOM 1054 CD2 LEU A 74 10.537 -0.098 5.114 1.00 0.00 C ATOM 0 H LEU A 74 10.036 -0.876 1.943 1.00 0.00 H new ATOM 0 HA LEU A 74 7.469 0.373 1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.088 1.280 4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.377 -0.444 3.902 1.00 0.00 H new ATOM 0 HG LEU A 74 10.799 0.458 3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.466 2.381 4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.158 2.834 3.340 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.795 2.523 5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.586 0.056 5.368 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.912 0.197 5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.369 -1.151 4.889 1.00 0.00 H new ATOM 1066 N ASN A 75 10.049 2.405 1.388 1.00 0.00 N ATOM 1067 CA ASN A 75 10.366 3.791 0.918 1.00 0.00 C ATOM 1068 C ASN A 75 10.070 3.915 -0.579 1.00 0.00 C ATOM 1069 O ASN A 75 9.774 4.986 -1.072 1.00 0.00 O ATOM 1070 CB ASN A 75 11.837 4.134 1.186 1.00 0.00 C ATOM 1071 CG ASN A 75 12.754 2.996 0.738 1.00 0.00 C ATOM 1072 OD1 ASN A 75 12.453 2.287 -0.199 1.00 0.00 O ATOM 1073 ND2 ASN A 75 13.877 2.799 1.375 1.00 0.00 N ATOM 0 H ASN A 75 10.857 1.812 1.575 1.00 0.00 H new ATOM 0 HA ASN A 75 9.741 4.492 1.470 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.103 5.050 0.658 1.00 0.00 H new ATOM 0 HB3 ASN A 75 11.982 4.326 2.249 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.503 2.048 1.085 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.128 3.396 2.163 1.00 0.00 H new ATOM 1080 N ALA A 76 10.136 2.826 -1.301 1.00 0.00 N ATOM 1081 CA ALA A 76 9.846 2.873 -2.765 1.00 0.00 C ATOM 1082 C ALA A 76 8.345 3.091 -2.978 1.00 0.00 C ATOM 1083 O ALA A 76 7.925 3.644 -3.978 1.00 0.00 O ATOM 1084 CB ALA A 76 10.265 1.553 -3.413 1.00 0.00 C ATOM 0 H ALA A 76 10.379 1.904 -0.938 1.00 0.00 H new ATOM 0 HA ALA A 76 10.403 3.692 -3.220 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.053 1.589 -4.482 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.333 1.395 -3.260 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.709 0.732 -2.960 1.00 0.00 H new ATOM 1090 N LEU A 77 7.537 2.666 -2.039 1.00 0.00 N ATOM 1091 CA LEU A 77 6.063 2.851 -2.172 1.00 0.00 C ATOM 1092 C LEU A 77 5.700 4.278 -1.758 1.00 0.00 C ATOM 1093 O LEU A 77 4.722 4.834 -2.216 1.00 0.00 O ATOM 1094 CB LEU A 77 5.340 1.852 -1.266 1.00 0.00 C ATOM 1095 CG LEU A 77 5.382 0.462 -1.904 1.00 0.00 C ATOM 1096 CD1 LEU A 77 5.469 -0.602 -0.809 1.00 0.00 C ATOM 1097 CD2 LEU A 77 4.113 0.242 -2.729 1.00 0.00 C ATOM 0 H LEU A 77 7.838 2.198 -1.184 1.00 0.00 H new ATOM 0 HA LEU A 77 5.761 2.682 -3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.812 1.828 -0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.306 2.164 -1.115 1.00 0.00 H new ATOM 0 HG LEU A 77 6.255 0.387 -2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.499 -1.592 -1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.373 -0.446 -0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.597 -0.528 -0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.142 -0.748 -3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.240 0.318 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.052 0.999 -3.511 1.00 0.00 H new ATOM 1109 N GLU A 78 6.488 4.872 -0.898 1.00 0.00 N ATOM 1110 CA GLU A 78 6.209 6.265 -0.447 1.00 0.00 C ATOM 1111 C GLU A 78 6.343 7.221 -1.641 1.00 0.00 C ATOM 1112 O GLU A 78 5.471 8.029 -1.899 1.00 0.00 O ATOM 1113 CB GLU A 78 7.223 6.636 0.643 1.00 0.00 C ATOM 1114 CG GLU A 78 7.003 8.080 1.113 1.00 0.00 C ATOM 1115 CD GLU A 78 8.196 8.528 1.958 1.00 0.00 C ATOM 1116 OE1 GLU A 78 9.316 8.355 1.506 1.00 0.00 O ATOM 1117 OE2 GLU A 78 7.971 9.036 3.045 1.00 0.00 O ATOM 0 H GLU A 78 7.319 4.446 -0.487 1.00 0.00 H new ATOM 0 HA GLU A 78 5.198 6.341 -0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.124 5.954 1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.237 6.523 0.259 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.884 8.740 0.253 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.085 8.148 1.696 1.00 0.00 H new ATOM 1124 N GLU A 79 7.433 7.137 -2.361 1.00 0.00 N ATOM 1125 CA GLU A 79 7.639 8.042 -3.532 1.00 0.00 C ATOM 1126 C GLU A 79 6.635 7.701 -4.638 1.00 0.00 C ATOM 1127 O GLU A 79 6.220 8.561 -5.392 1.00 0.00 O ATOM 1128 CB GLU A 79 9.066 7.873 -4.067 1.00 0.00 C ATOM 1129 CG GLU A 79 9.318 6.402 -4.421 1.00 0.00 C ATOM 1130 CD GLU A 79 9.213 6.207 -5.937 1.00 0.00 C ATOM 1131 OE1 GLU A 79 8.432 6.913 -6.554 1.00 0.00 O ATOM 1132 OE2 GLU A 79 9.916 5.355 -6.454 1.00 0.00 O ATOM 0 H GLU A 79 8.192 6.478 -2.187 1.00 0.00 H new ATOM 0 HA GLU A 79 7.488 9.074 -3.216 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.210 8.498 -4.948 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.786 8.205 -3.319 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.306 6.099 -4.074 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.593 5.767 -3.912 1.00 0.00 H new ATOM 1139 N THR A 80 6.246 6.455 -4.742 1.00 0.00 N ATOM 1140 CA THR A 80 5.271 6.056 -5.801 1.00 0.00 C ATOM 1141 C THR A 80 3.885 6.618 -5.467 1.00 0.00 C ATOM 1142 O THR A 80 3.087 6.882 -6.347 1.00 0.00 O ATOM 1143 CB THR A 80 5.198 4.528 -5.869 1.00 0.00 C ATOM 1144 OG1 THR A 80 6.509 3.999 -6.011 1.00 0.00 O ATOM 1145 CG2 THR A 80 4.343 4.110 -7.067 1.00 0.00 C ATOM 0 H THR A 80 6.562 5.696 -4.138 1.00 0.00 H new ATOM 0 HA THR A 80 5.597 6.453 -6.762 1.00 0.00 H new ATOM 0 HB THR A 80 4.749 4.143 -4.953 1.00 0.00 H new ATOM 0 HG1 THR A 80 6.991 4.086 -5.162 1.00 0.00 H new ATOM 0 HG21 THR A 80 4.291 3.022 -7.115 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.338 4.517 -6.956 1.00 0.00 H new ATOM 0 HG23 THR A 80 4.790 4.493 -7.984 1.00 0.00 H new ATOM 1153 N MET A 81 3.596 6.795 -4.204 1.00 0.00 N ATOM 1154 CA MET A 81 2.265 7.335 -3.799 1.00 0.00 C ATOM 1155 C MET A 81 2.176 8.821 -4.152 1.00 0.00 C ATOM 1156 O MET A 81 1.383 9.226 -4.981 1.00 0.00 O ATOM 1157 CB MET A 81 2.084 7.161 -2.288 1.00 0.00 C ATOM 1158 CG MET A 81 2.130 5.670 -1.926 1.00 0.00 C ATOM 1159 SD MET A 81 0.467 5.074 -1.514 1.00 0.00 S ATOM 1160 CE MET A 81 0.885 4.310 0.074 1.00 0.00 C ATOM 0 H MET A 81 4.229 6.587 -3.432 1.00 0.00 H new ATOM 0 HA MET A 81 1.482 6.792 -4.329 1.00 0.00 H new ATOM 0 HB2 MET A 81 2.868 7.698 -1.755 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.133 7.591 -1.975 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.533 5.098 -2.762 1.00 0.00 H new ATOM 0 HG3 MET A 81 2.800 5.514 -1.081 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.232 3.455 0.250 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.922 3.976 0.055 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.753 5.038 0.874 1.00 0.00 H new ATOM 1170 N LYS A 82 2.977 9.637 -3.515 1.00 0.00 N ATOM 1171 CA LYS A 82 2.942 11.105 -3.789 1.00 0.00 C ATOM 1172 C LYS A 82 3.256 11.382 -5.263 1.00 0.00 C ATOM 1173 O LYS A 82 2.849 12.391 -5.808 1.00 0.00 O ATOM 1174 CB LYS A 82 3.976 11.806 -2.905 1.00 0.00 C ATOM 1175 CG LYS A 82 3.654 11.543 -1.429 1.00 0.00 C ATOM 1176 CD LYS A 82 4.951 11.296 -0.652 1.00 0.00 C ATOM 1177 CE LYS A 82 5.388 12.586 0.045 1.00 0.00 C ATOM 1178 NZ LYS A 82 6.832 12.489 0.405 1.00 0.00 N ATOM 0 H LYS A 82 3.658 9.347 -2.813 1.00 0.00 H new ATOM 0 HA LYS A 82 1.945 11.484 -3.567 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.976 11.442 -3.140 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.972 12.878 -3.103 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.122 12.395 -1.006 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.995 10.679 -1.339 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.800 10.506 0.084 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.733 10.955 -1.330 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.222 13.441 -0.610 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.789 12.750 0.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.131 13.365 0.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.977 11.682 1.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.396 12.352 -0.458 1.00 0.00 H new ATOM 1192 N SER A 83 3.975 10.499 -5.910 1.00 0.00 N ATOM 1193 CA SER A 83 4.316 10.716 -7.347 1.00 0.00 C ATOM 1194 C SER A 83 3.038 10.677 -8.189 1.00 0.00 C ATOM 1195 O SER A 83 2.899 11.407 -9.153 1.00 0.00 O ATOM 1196 CB SER A 83 5.271 9.619 -7.819 1.00 0.00 C ATOM 1197 OG SER A 83 4.703 8.348 -7.536 1.00 0.00 O ATOM 0 H SER A 83 4.340 9.637 -5.504 1.00 0.00 H new ATOM 0 HA SER A 83 4.796 11.688 -7.461 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.456 9.717 -8.889 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.234 9.719 -7.319 1.00 0.00 H new ATOM 0 HG SER A 83 3.856 8.467 -7.057 1.00 0.00 H new ATOM 1203 N GLU A 84 2.105 9.831 -7.831 1.00 0.00 N ATOM 1204 CA GLU A 84 0.832 9.739 -8.607 1.00 0.00 C ATOM 1205 C GLU A 84 -0.319 10.414 -7.842 1.00 0.00 C ATOM 1206 O GLU A 84 -1.446 10.420 -8.302 1.00 0.00 O ATOM 1207 CB GLU A 84 0.487 8.267 -8.841 1.00 0.00 C ATOM 1208 CG GLU A 84 1.437 7.681 -9.889 1.00 0.00 C ATOM 1209 CD GLU A 84 0.791 6.454 -10.535 1.00 0.00 C ATOM 1210 OE1 GLU A 84 -0.355 6.557 -10.940 1.00 0.00 O ATOM 1211 OE2 GLU A 84 1.454 5.433 -10.615 1.00 0.00 O ATOM 0 H GLU A 84 2.171 9.199 -7.033 1.00 0.00 H new ATOM 0 HA GLU A 84 0.966 10.249 -9.561 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.570 7.710 -7.908 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.545 8.173 -9.178 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.663 8.429 -10.649 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.383 7.404 -9.423 1.00 0.00 H new ATOM 1218 N GLY A 85 -0.055 10.982 -6.686 1.00 0.00 N ATOM 1219 CA GLY A 85 -1.142 11.651 -5.912 1.00 0.00 C ATOM 1220 C GLY A 85 -2.166 10.608 -5.459 1.00 0.00 C ATOM 1221 O GLY A 85 -3.341 10.710 -5.758 1.00 0.00 O ATOM 0 H GLY A 85 0.866 11.009 -6.249 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.723 12.164 -5.046 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.627 12.409 -6.527 1.00 0.00 H new ATOM 1225 N LEU A 86 -1.726 9.608 -4.740 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.663 8.551 -4.260 1.00 0.00 C ATOM 1227 C LEU A 86 -2.732 8.583 -2.733 1.00 0.00 C ATOM 1228 O LEU A 86 -3.765 8.321 -2.144 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.161 7.180 -4.719 1.00 0.00 C ATOM 1230 CG LEU A 86 -2.118 7.136 -6.247 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -1.338 5.901 -6.701 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -3.546 7.063 -6.793 1.00 0.00 C ATOM 0 H LEU A 86 -0.753 9.478 -4.464 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.656 8.732 -4.671 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.168 6.990 -4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.817 6.396 -4.341 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.628 8.034 -6.623 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.308 5.870 -7.790 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.321 5.949 -6.311 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.828 5.003 -6.326 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.518 7.032 -7.882 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.034 6.164 -6.416 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.105 7.941 -6.470 1.00 0.00 H new ATOM 1244 N GLY A 87 -1.637 8.902 -2.086 1.00 0.00 N ATOM 1245 CA GLY A 87 -1.630 8.952 -0.596 1.00 0.00 C ATOM 1246 C GLY A 87 -0.572 9.951 -0.124 1.00 0.00 C ATOM 1247 O GLY A 87 0.042 10.639 -0.918 1.00 0.00 O ATOM 0 H GLY A 87 -0.747 9.130 -2.530 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.613 9.245 -0.227 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.419 7.963 -0.189 1.00 0.00 H new ATOM 1251 N GLU A 88 -0.356 10.035 1.166 1.00 0.00 N ATOM 1252 CA GLU A 88 0.661 10.990 1.703 1.00 0.00 C ATOM 1253 C GLU A 88 0.711 10.877 3.230 1.00 0.00 C ATOM 1254 O GLU A 88 1.494 10.080 3.718 1.00 0.00 O ATOM 1255 CB GLU A 88 0.294 12.427 1.303 1.00 0.00 C ATOM 1256 CG GLU A 88 -1.189 12.694 1.596 1.00 0.00 C ATOM 1257 CD GLU A 88 -1.355 14.091 2.198 1.00 0.00 C ATOM 1258 OE1 GLU A 88 -0.597 14.991 1.894 1.00 0.00 O ATOM 1259 OE2 GLU A 88 -2.323 14.312 3.045 1.00 0.00 O ATOM 1260 OXT GLU A 88 -0.032 11.590 3.885 1.00 0.00 O ATOM 0 H GLU A 88 -0.842 9.481 1.872 1.00 0.00 H new ATOM 0 HA GLU A 88 1.638 10.744 1.287 1.00 0.00 H new ATOM 0 HB2 GLU A 88 0.914 13.135 1.852 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.497 12.581 0.243 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.771 12.612 0.678 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.574 11.943 2.286 1.00 0.00 H new TER 1267 GLU A 88