USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 434 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 ASN : amide:sc= -1.41 K(o=-0.6,f=-1.2!) USER MOD Set 1.2: A 56 THR OG1 : rot -60:sc= 0.816 USER MOD Set 2.1: A 5 ASN : amide:sc= -2.37 K(o=-2.9,f=-13!) USER MOD Set 2.2: A 13 THR OG1 : rot 180:sc= -0.527 USER MOD Single : A 1 LEU N :NH3+ -145:sc= 0.0519 (180deg=0) USER MOD Single : A 4 HIS : no HE2:sc= -1.39 K(o=-1.4,f=-0.73) USER MOD Single : A 6 GLN : amide:sc= -0.565 K(o=-0.56,f=-1.7!) USER MOD Single : A 7 GLN : amide:sc= -3.02 X(o=-3,f=-2.9!) USER MOD Single : A 8 SER OG : rot -18:sc= -0.199 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -1.04! USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0661 USER MOD Single : A 22 ASN : amide:sc= -1.97! C(o=-2!,f=-5.1!) USER MOD Single : A 25 TYR OH : rot -4:sc= 0.322 USER MOD Single : A 26 LYS NZ :NH3+ -136:sc= -0.0118 (180deg=-0.409) USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00218) USER MOD Single : A 32 ASN : amide:sc= -2.21 K(o=-2.2,f=-1.7) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.439 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 149:sc= -0.359 (180deg=-1.16!) USER MOD Single : A 53 ASN : amide:sc= -2.17 K(o=-2.2,f=-7.4!) USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 61 ASN : amide:sc= -6 K(o=-6,f=-17!) USER MOD Single : A 62 ASN : amide:sc= -0.548 K(o=-0.55,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.837 13.517 2.215 1.00 0.00 N ATOM 2 CA LEU A 1 1.340 12.909 0.953 1.00 0.00 C ATOM 3 C LEU A 1 -0.117 12.474 1.086 1.00 0.00 C ATOM 4 O LEU A 1 -0.782 12.789 2.073 1.00 0.00 O ATOM 5 CB LEU A 1 2.221 11.707 0.609 1.00 0.00 C ATOM 6 CG LEU A 1 2.543 11.544 -0.879 1.00 0.00 C ATOM 7 CD1 LEU A 1 3.906 12.137 -1.198 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.491 10.076 -1.278 1.00 0.00 C ATOM 0 H1 LEU A 1 2.504 14.283 1.992 1.00 0.00 H new ATOM 0 H2 LEU A 1 1.035 13.901 2.754 1.00 0.00 H new ATOM 0 H3 LEU A 1 2.320 12.792 2.783 1.00 0.00 H new ATOM 0 HA LEU A 1 1.390 13.651 0.156 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.157 11.793 1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.726 10.801 0.959 1.00 0.00 H new ATOM 0 HG LEU A 1 1.791 12.083 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 1 4.118 12.012 -2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.908 13.198 -0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 1 4.671 11.626 -0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.722 9.979 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.221 9.514 -0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 1 1.493 9.682 -1.087 1.00 0.00 H new ATOM 22 N GLU A 2 -0.605 11.747 0.086 1.00 0.00 N ATOM 23 CA GLU A 2 -1.982 11.267 0.091 1.00 0.00 C ATOM 24 C GLU A 2 -2.131 10.041 -0.806 1.00 0.00 C ATOM 25 O GLU A 2 -2.031 10.139 -2.029 1.00 0.00 O ATOM 26 CB GLU A 2 -2.932 12.375 -0.371 1.00 0.00 C ATOM 27 CG GLU A 2 -4.028 12.694 0.633 1.00 0.00 C ATOM 28 CD GLU A 2 -5.381 12.887 -0.023 1.00 0.00 C ATOM 29 OE1 GLU A 2 -5.683 14.026 -0.436 1.00 0.00 O ATOM 30 OE2 GLU A 2 -6.139 11.899 -0.122 1.00 0.00 O ATOM 0 H GLU A 2 -0.067 11.478 -0.738 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.240 10.982 1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -2.355 13.279 -0.566 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.390 12.079 -1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -4.094 11.887 1.362 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -3.762 13.598 1.181 1.00 0.00 H new ATOM 37 N CYS A 3 -2.368 8.888 -0.189 1.00 0.00 N ATOM 38 CA CYS A 3 -2.529 7.643 -0.933 1.00 0.00 C ATOM 39 C CYS A 3 -3.967 7.139 -0.853 1.00 0.00 C ATOM 40 O CYS A 3 -4.829 7.781 -0.252 1.00 0.00 O ATOM 41 CB CYS A 3 -1.573 6.579 -0.394 1.00 0.00 C ATOM 42 SG CYS A 3 0.100 6.651 -1.111 1.00 0.00 S ATOM 0 H CYS A 3 -2.453 8.789 0.823 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.293 7.841 -1.979 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.498 6.688 0.688 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -1.997 5.594 -0.587 1.00 0.00 H new ATOM 47 N HIS A 4 -4.218 5.987 -1.467 1.00 0.00 N ATOM 48 CA HIS A 4 -5.546 5.394 -1.473 1.00 0.00 C ATOM 49 C HIS A 4 -5.737 4.470 -0.275 1.00 0.00 C ATOM 50 O HIS A 4 -4.770 3.936 0.271 1.00 0.00 O ATOM 51 CB HIS A 4 -5.759 4.620 -2.771 1.00 0.00 C ATOM 52 CG HIS A 4 -6.013 5.498 -3.956 1.00 0.00 C ATOM 53 ND1 HIS A 4 -7.272 5.927 -4.319 1.00 0.00 N ATOM 54 CD2 HIS A 4 -5.160 6.029 -4.864 1.00 0.00 C ATOM 55 CE1 HIS A 4 -7.183 6.683 -5.398 1.00 0.00 C ATOM 56 NE2 HIS A 4 -5.912 6.762 -5.748 1.00 0.00 N ATOM 0 H HIS A 4 -3.514 5.445 -1.968 1.00 0.00 H new ATOM 0 HA HIS A 4 -6.282 6.195 -1.404 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -4.880 4.005 -2.966 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -6.602 3.940 -2.645 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -8.137 5.696 -3.830 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -4.088 5.900 -4.888 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -8.009 7.156 -5.908 1.00 0.00 H new ATOM 65 N ASN A 5 -6.991 4.283 0.130 1.00 0.00 N ATOM 66 CA ASN A 5 -7.309 3.422 1.264 1.00 0.00 C ATOM 67 C ASN A 5 -8.110 2.199 0.824 1.00 0.00 C ATOM 68 O ASN A 5 -8.092 1.163 1.488 1.00 0.00 O ATOM 69 CB ASN A 5 -8.091 4.204 2.321 1.00 0.00 C ATOM 70 CG ASN A 5 -9.236 4.984 1.733 1.00 0.00 C ATOM 71 OD1 ASN A 5 -9.484 4.945 0.528 1.00 0.00 O ATOM 72 ND2 ASN A 5 -9.943 5.701 2.590 1.00 0.00 N ATOM 0 H ASN A 5 -7.802 4.716 -0.311 1.00 0.00 H new ATOM 0 HA ASN A 5 -6.369 3.077 1.695 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -8.475 3.512 3.070 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -7.416 4.888 2.835 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.734 6.255 2.261 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.697 5.700 3.580 1.00 0.00 H new ATOM 79 N GLN A 6 -8.817 2.324 -0.297 1.00 0.00 N ATOM 80 CA GLN A 6 -9.627 1.227 -0.821 1.00 0.00 C ATOM 81 C GLN A 6 -8.816 -0.062 -0.913 1.00 0.00 C ATOM 82 O GLN A 6 -7.592 -0.029 -1.041 1.00 0.00 O ATOM 83 CB GLN A 6 -10.181 1.589 -2.200 1.00 0.00 C ATOM 84 CG GLN A 6 -11.451 0.837 -2.563 1.00 0.00 C ATOM 85 CD GLN A 6 -11.723 0.836 -4.055 1.00 0.00 C ATOM 86 OE1 GLN A 6 -10.808 0.988 -4.864 1.00 0.00 O ATOM 87 NE2 GLN A 6 -12.986 0.666 -4.426 1.00 0.00 N ATOM 0 H GLN A 6 -8.845 3.174 -0.860 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.455 1.064 -0.131 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -10.381 2.660 -2.232 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.420 1.384 -2.953 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -11.373 -0.192 -2.211 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -12.297 1.288 -2.044 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -13.713 0.544 -3.721 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -13.230 0.658 -5.416 1.00 0.00 H new ATOM 96 N GLN A 7 -9.506 -1.196 -0.846 1.00 0.00 N ATOM 97 CA GLN A 7 -8.849 -2.495 -0.921 1.00 0.00 C ATOM 98 C GLN A 7 -9.827 -3.575 -1.378 1.00 0.00 C ATOM 99 O GLN A 7 -10.827 -3.843 -0.713 1.00 0.00 O ATOM 100 CB GLN A 7 -8.257 -2.867 0.438 1.00 0.00 C ATOM 101 CG GLN A 7 -9.241 -2.742 1.591 1.00 0.00 C ATOM 102 CD GLN A 7 -9.330 -1.328 2.129 1.00 0.00 C ATOM 103 OE1 GLN A 7 -8.456 -0.877 2.869 1.00 0.00 O ATOM 104 NE2 GLN A 7 -10.393 -0.621 1.761 1.00 0.00 N ATOM 0 H GLN A 7 -10.519 -1.241 -0.740 1.00 0.00 H new ATOM 0 HA GLN A 7 -8.045 -2.427 -1.654 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.890 -3.892 0.396 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.396 -2.228 0.636 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -10.228 -3.063 1.258 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.941 -3.415 2.395 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.093 -1.035 1.146 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.509 0.336 2.094 1.00 0.00 H new ATOM 113 N SER A 8 -9.532 -4.189 -2.519 1.00 0.00 N ATOM 114 CA SER A 8 -10.383 -5.239 -3.065 1.00 0.00 C ATOM 115 C SER A 8 -11.811 -4.738 -3.264 1.00 0.00 C ATOM 116 O SER A 8 -12.768 -5.505 -3.165 1.00 0.00 O ATOM 117 CB SER A 8 -10.384 -6.457 -2.140 1.00 0.00 C ATOM 118 OG SER A 8 -11.274 -6.271 -1.052 1.00 0.00 O ATOM 0 H SER A 8 -8.709 -3.977 -3.084 1.00 0.00 H new ATOM 0 HA SER A 8 -9.980 -5.527 -4.036 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.673 -7.345 -2.703 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.376 -6.632 -1.764 1.00 0.00 H new ATOM 0 HG SER A 8 -11.476 -5.317 -0.954 1.00 0.00 H new ATOM 124 N SER A 9 -11.945 -3.446 -3.544 1.00 0.00 N ATOM 125 CA SER A 9 -13.255 -2.842 -3.754 1.00 0.00 C ATOM 126 C SER A 9 -14.124 -2.977 -2.507 1.00 0.00 C ATOM 127 O SER A 9 -15.339 -3.153 -2.601 1.00 0.00 O ATOM 128 CB SER A 9 -13.954 -3.493 -4.950 1.00 0.00 C ATOM 129 OG SER A 9 -13.069 -3.623 -6.050 1.00 0.00 O ATOM 0 H SER A 9 -11.163 -2.797 -3.631 1.00 0.00 H new ATOM 0 HA SER A 9 -13.109 -1.782 -3.960 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.331 -4.475 -4.664 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.816 -2.893 -5.242 1.00 0.00 H new ATOM 0 HG SER A 9 -13.539 -4.043 -6.800 1.00 0.00 H new ATOM 135 N GLN A 10 -13.491 -2.896 -1.341 1.00 0.00 N ATOM 136 CA GLN A 10 -14.203 -3.011 -0.074 1.00 0.00 C ATOM 137 C GLN A 10 -14.959 -1.724 0.244 1.00 0.00 C ATOM 138 O GLN A 10 -16.077 -1.760 0.757 1.00 0.00 O ATOM 139 CB GLN A 10 -13.226 -3.334 1.056 1.00 0.00 C ATOM 140 CG GLN A 10 -12.953 -4.821 1.216 1.00 0.00 C ATOM 141 CD GLN A 10 -12.979 -5.266 2.665 1.00 0.00 C ATOM 142 OE1 GLN A 10 -11.942 -5.332 3.324 1.00 0.00 O ATOM 143 NE2 GLN A 10 -14.168 -5.577 3.167 1.00 0.00 N ATOM 0 H GLN A 10 -12.486 -2.751 -1.248 1.00 0.00 H new ATOM 0 HA GLN A 10 -14.925 -3.823 -0.164 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.284 -2.818 0.870 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.624 -2.943 1.992 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.696 -5.386 0.653 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -11.980 -5.056 0.785 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -15.002 -5.507 2.584 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -14.248 -5.885 4.136 1.00 0.00 H new ATOM 152 N THR A 11 -14.342 -0.589 -0.069 1.00 0.00 N ATOM 153 CA THR A 11 -14.948 0.708 0.176 1.00 0.00 C ATOM 154 C THR A 11 -14.137 1.819 -0.493 1.00 0.00 C ATOM 155 O THR A 11 -13.088 2.218 0.013 1.00 0.00 O ATOM 156 CB THR A 11 -15.063 0.978 1.680 1.00 0.00 C ATOM 157 OG1 THR A 11 -14.763 -0.186 2.430 1.00 0.00 O ATOM 158 CG2 THR A 11 -16.439 1.449 2.099 1.00 0.00 C ATOM 0 H THR A 11 -13.417 -0.545 -0.496 1.00 0.00 H new ATOM 0 HA THR A 11 -15.949 0.697 -0.255 1.00 0.00 H new ATOM 0 HB THR A 11 -14.344 1.772 1.883 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.842 0.012 3.387 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.452 1.622 3.175 1.00 0.00 H new ATOM 0 HG22 THR A 11 -16.680 2.376 1.579 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.177 0.688 1.845 1.00 0.00 H new ATOM 166 N PRO A 12 -14.610 2.336 -1.642 1.00 0.00 N ATOM 167 CA PRO A 12 -13.914 3.404 -2.369 1.00 0.00 C ATOM 168 C PRO A 12 -13.897 4.716 -1.593 1.00 0.00 C ATOM 169 O PRO A 12 -14.942 5.319 -1.350 1.00 0.00 O ATOM 170 CB PRO A 12 -14.728 3.554 -3.658 1.00 0.00 C ATOM 171 CG PRO A 12 -16.078 3.023 -3.323 1.00 0.00 C ATOM 172 CD PRO A 12 -15.852 1.924 -2.322 1.00 0.00 C ATOM 0 HA PRO A 12 -12.866 3.161 -2.541 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -14.780 4.596 -3.973 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -14.276 2.996 -4.478 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -16.713 3.805 -2.907 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -16.580 2.644 -4.213 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -16.684 1.839 -1.623 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -15.743 0.954 -2.807 1.00 0.00 H new ATOM 180 N THR A 13 -12.702 5.152 -1.207 1.00 0.00 N ATOM 181 CA THR A 13 -12.546 6.392 -0.457 1.00 0.00 C ATOM 182 C THR A 13 -11.130 6.942 -0.603 1.00 0.00 C ATOM 183 O THR A 13 -10.307 6.377 -1.323 1.00 0.00 O ATOM 184 CB THR A 13 -12.866 6.162 1.020 1.00 0.00 C ATOM 185 OG1 THR A 13 -12.258 4.971 1.485 1.00 0.00 O ATOM 186 CG2 THR A 13 -14.351 6.059 1.302 1.00 0.00 C ATOM 0 H THR A 13 -11.828 4.664 -1.402 1.00 0.00 H new ATOM 0 HA THR A 13 -13.244 7.124 -0.863 1.00 0.00 H new ATOM 0 HB THR A 13 -12.473 7.036 1.540 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.473 4.842 2.432 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.508 5.896 2.368 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.844 6.983 1.000 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.771 5.224 0.741 1.00 0.00 H new ATOM 194 N THR A 14 -10.855 8.045 0.085 1.00 0.00 N ATOM 195 CA THR A 14 -9.538 8.670 0.032 1.00 0.00 C ATOM 196 C THR A 14 -9.018 8.960 1.436 1.00 0.00 C ATOM 197 O THR A 14 -9.766 9.402 2.307 1.00 0.00 O ATOM 198 CB THR A 14 -9.598 9.965 -0.780 1.00 0.00 C ATOM 199 OG1 THR A 14 -10.797 10.669 -0.514 1.00 0.00 O ATOM 200 CG2 THR A 14 -9.519 9.739 -2.274 1.00 0.00 C ATOM 0 H THR A 14 -11.526 8.524 0.685 1.00 0.00 H new ATOM 0 HA THR A 14 -8.852 7.976 -0.454 1.00 0.00 H new ATOM 0 HB THR A 14 -8.726 10.541 -0.470 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.815 11.495 -1.041 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.567 10.698 -2.790 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.580 9.242 -2.518 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.353 9.114 -2.592 1.00 0.00 H new ATOM 208 N THR A 15 -7.730 8.707 1.648 1.00 0.00 N ATOM 209 CA THR A 15 -7.110 8.941 2.948 1.00 0.00 C ATOM 210 C THR A 15 -5.820 9.742 2.798 1.00 0.00 C ATOM 211 O THR A 15 -5.430 10.111 1.691 1.00 0.00 O ATOM 212 CB THR A 15 -6.820 7.610 3.644 1.00 0.00 C ATOM 213 OG1 THR A 15 -6.340 7.827 4.960 1.00 0.00 O ATOM 214 CG2 THR A 15 -5.797 6.763 2.916 1.00 0.00 C ATOM 0 H THR A 15 -7.096 8.341 0.938 1.00 0.00 H new ATOM 0 HA THR A 15 -7.806 9.518 3.557 1.00 0.00 H new ATOM 0 HB THR A 15 -7.770 7.075 3.652 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.162 6.964 5.390 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.638 5.834 3.463 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.159 6.536 1.913 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.856 7.309 2.847 1.00 0.00 H new ATOM 222 N GLY A 16 -5.159 10.003 3.922 1.00 0.00 N ATOM 223 CA GLY A 16 -3.923 10.747 3.899 1.00 0.00 C ATOM 224 C GLY A 16 -3.096 10.540 5.152 1.00 0.00 C ATOM 225 O GLY A 16 -3.640 10.338 6.237 1.00 0.00 O ATOM 0 H GLY A 16 -5.463 9.709 4.850 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.339 10.448 3.029 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.144 11.808 3.785 1.00 0.00 H new ATOM 229 N CYS A 17 -1.776 10.592 5.003 1.00 0.00 N ATOM 230 CA CYS A 17 -0.871 10.409 6.132 1.00 0.00 C ATOM 231 C CYS A 17 -0.353 11.754 6.632 1.00 0.00 C ATOM 232 O CYS A 17 -0.528 12.781 5.976 1.00 0.00 O ATOM 233 CB CYS A 17 0.304 9.511 5.737 1.00 0.00 C ATOM 234 SG CYS A 17 -0.157 8.092 4.690 1.00 0.00 S ATOM 0 H CYS A 17 -1.309 10.759 4.112 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.427 9.929 6.937 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.044 10.112 5.209 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.783 9.139 6.643 1.00 0.00 H new ATOM 239 N SER A 18 0.286 11.741 7.798 1.00 0.00 N ATOM 240 CA SER A 18 0.830 12.961 8.383 1.00 0.00 C ATOM 241 C SER A 18 2.178 12.694 9.046 1.00 0.00 C ATOM 242 O SER A 18 2.712 11.588 8.965 1.00 0.00 O ATOM 243 CB SER A 18 -0.149 13.540 9.407 1.00 0.00 C ATOM 244 OG SER A 18 0.063 14.930 9.585 1.00 0.00 O ATOM 0 H SER A 18 0.439 10.900 8.355 1.00 0.00 H new ATOM 0 HA SER A 18 0.978 13.684 7.581 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.173 13.364 9.076 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.030 13.026 10.360 1.00 0.00 H new ATOM 0 HG SER A 18 -0.576 15.277 10.242 1.00 0.00 H new ATOM 250 N GLY A 19 2.721 13.715 9.700 1.00 0.00 N ATOM 251 CA GLY A 19 4.002 13.571 10.367 1.00 0.00 C ATOM 252 C GLY A 19 5.168 13.616 9.398 1.00 0.00 C ATOM 253 O GLY A 19 5.878 14.618 9.318 1.00 0.00 O ATOM 0 H GLY A 19 2.297 14.639 9.780 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.116 14.365 11.105 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.021 12.626 10.910 1.00 0.00 H new ATOM 257 N GLY A 20 5.365 12.528 8.661 1.00 0.00 N ATOM 258 CA GLY A 20 6.444 12.463 7.710 1.00 0.00 C ATOM 259 C GLY A 20 6.502 11.133 6.986 1.00 0.00 C ATOM 260 O GLY A 20 7.557 10.503 6.912 1.00 0.00 O ATOM 0 H GLY A 20 4.789 11.688 8.711 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.330 13.265 6.981 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.389 12.633 8.226 1.00 0.00 H new ATOM 264 N GLU A 21 5.364 10.703 6.450 1.00 0.00 N ATOM 265 CA GLU A 21 5.288 9.439 5.728 1.00 0.00 C ATOM 266 C GLU A 21 4.827 9.660 4.290 1.00 0.00 C ATOM 267 O GLU A 21 3.704 10.100 4.048 1.00 0.00 O ATOM 268 CB GLU A 21 4.334 8.477 6.438 1.00 0.00 C ATOM 269 CG GLU A 21 4.774 7.023 6.366 1.00 0.00 C ATOM 270 CD GLU A 21 4.671 6.316 7.704 1.00 0.00 C ATOM 271 OE1 GLU A 21 3.638 6.482 8.385 1.00 0.00 O ATOM 272 OE2 GLU A 21 5.625 5.597 8.070 1.00 0.00 O ATOM 0 H GLU A 21 4.482 11.212 6.502 1.00 0.00 H new ATOM 0 HA GLU A 21 6.286 9.001 5.708 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.247 8.771 7.484 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.342 8.570 5.997 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.161 6.498 5.633 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.804 6.976 6.013 1.00 0.00 H new ATOM 279 N ASN A 22 5.704 9.353 3.340 1.00 0.00 N ATOM 280 CA ASN A 22 5.390 9.520 1.926 1.00 0.00 C ATOM 281 C ASN A 22 5.273 8.169 1.224 1.00 0.00 C ATOM 282 O ASN A 22 4.611 8.050 0.194 1.00 0.00 O ATOM 283 CB ASN A 22 6.462 10.371 1.241 1.00 0.00 C ATOM 284 CG ASN A 22 6.323 11.845 1.563 1.00 0.00 C ATOM 285 OD1 ASN A 22 6.031 12.659 0.687 1.00 0.00 O ATOM 286 ND2 ASN A 22 6.531 12.197 2.826 1.00 0.00 N ATOM 0 H ASN A 22 6.638 8.987 3.524 1.00 0.00 H new ATOM 0 HA ASN A 22 4.428 10.028 1.854 1.00 0.00 H new ATOM 0 HB2 ASN A 22 7.448 10.026 1.551 1.00 0.00 H new ATOM 0 HB3 ASN A 22 6.399 10.230 0.162 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.451 13.175 3.103 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.771 11.489 3.520 1.00 0.00 H new ATOM 293 N ASN A 23 5.921 7.151 1.785 1.00 0.00 N ATOM 294 CA ASN A 23 5.887 5.814 1.206 1.00 0.00 C ATOM 295 C ASN A 23 4.608 5.080 1.593 1.00 0.00 C ATOM 296 O ASN A 23 4.189 5.106 2.751 1.00 0.00 O ATOM 297 CB ASN A 23 7.107 5.009 1.661 1.00 0.00 C ATOM 298 CG ASN A 23 8.376 5.429 0.947 1.00 0.00 C ATOM 299 OD1 ASN A 23 8.972 4.648 0.206 1.00 0.00 O ATOM 300 ND2 ASN A 23 8.795 6.670 1.167 1.00 0.00 N ATOM 0 H ASN A 23 6.475 7.228 2.638 1.00 0.00 H new ATOM 0 HA ASN A 23 5.908 5.917 0.121 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.240 5.133 2.736 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.927 3.949 1.482 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.643 7.010 0.713 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.269 7.283 1.790 1.00 0.00 H new ATOM 307 N CYS A 24 3.992 4.423 0.615 1.00 0.00 N ATOM 308 CA CYS A 24 2.761 3.676 0.847 1.00 0.00 C ATOM 309 C CYS A 24 2.946 2.207 0.478 1.00 0.00 C ATOM 310 O CYS A 24 3.232 1.877 -0.673 1.00 0.00 O ATOM 311 CB CYS A 24 1.613 4.282 0.042 1.00 0.00 C ATOM 312 SG CYS A 24 1.301 6.040 0.408 1.00 0.00 S ATOM 0 H CYS A 24 4.327 4.393 -0.348 1.00 0.00 H new ATOM 0 HA CYS A 24 2.517 3.737 1.908 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.832 4.176 -1.021 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.704 3.713 0.239 1.00 0.00 H new ATOM 317 N TYR A 25 2.798 1.332 1.468 1.00 0.00 N ATOM 318 CA TYR A 25 2.965 -0.091 1.265 1.00 0.00 C ATOM 319 C TYR A 25 1.725 -0.727 0.637 1.00 0.00 C ATOM 320 O TYR A 25 0.607 -0.530 1.111 1.00 0.00 O ATOM 321 CB TYR A 25 3.292 -0.770 2.600 1.00 0.00 C ATOM 322 CG TYR A 25 2.076 -1.171 3.406 1.00 0.00 C ATOM 323 CD1 TYR A 25 1.497 -2.422 3.241 1.00 0.00 C ATOM 324 CD2 TYR A 25 1.506 -0.301 4.327 1.00 0.00 C ATOM 325 CE1 TYR A 25 0.386 -2.797 3.971 1.00 0.00 C ATOM 326 CE2 TYR A 25 0.394 -0.669 5.062 1.00 0.00 C ATOM 327 CZ TYR A 25 -0.162 -1.917 4.880 1.00 0.00 C ATOM 328 OH TYR A 25 -1.269 -2.286 5.609 1.00 0.00 O ATOM 0 H TYR A 25 2.561 1.593 2.425 1.00 0.00 H new ATOM 0 HA TYR A 25 3.792 -0.235 0.569 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.894 -1.658 2.405 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.904 -0.095 3.198 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.923 -3.114 2.529 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.938 0.678 4.471 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.051 -3.775 3.830 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.037 0.018 5.775 1.00 0.00 H new ATOM 0 HH TYR A 25 -1.574 -3.170 5.315 1.00 0.00 H new ATOM 338 N LYS A 26 1.937 -1.505 -0.422 1.00 0.00 N ATOM 339 CA LYS A 26 0.843 -2.187 -1.102 1.00 0.00 C ATOM 340 C LYS A 26 1.108 -3.688 -1.143 1.00 0.00 C ATOM 341 O LYS A 26 2.053 -4.137 -1.789 1.00 0.00 O ATOM 342 CB LYS A 26 0.681 -1.645 -2.525 1.00 0.00 C ATOM 343 CG LYS A 26 -0.744 -1.721 -3.047 1.00 0.00 C ATOM 344 CD LYS A 26 -1.022 -0.625 -4.063 1.00 0.00 C ATOM 345 CE LYS A 26 -0.919 -1.144 -5.488 1.00 0.00 C ATOM 346 NZ LYS A 26 -1.831 -0.415 -6.412 1.00 0.00 N ATOM 0 H LYS A 26 2.857 -1.678 -0.826 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.079 -2.004 -0.550 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.013 -0.607 -2.549 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.334 -2.204 -3.194 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.914 -2.695 -3.505 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.443 -1.634 -2.215 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.019 -0.217 -3.895 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.315 0.192 -3.921 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.108 -1.043 -5.838 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.159 -2.207 -5.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.311 -1.096 -7.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.540 0.108 -5.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.280 0.253 -6.988 1.00 0.00 H new ATOM 360 N LYS A 27 0.287 -4.460 -0.434 1.00 0.00 N ATOM 361 CA LYS A 27 0.456 -5.901 -0.387 1.00 0.00 C ATOM 362 C LYS A 27 -0.876 -6.623 -0.563 1.00 0.00 C ATOM 363 O LYS A 27 -1.872 -6.267 0.065 1.00 0.00 O ATOM 364 CB LYS A 27 1.091 -6.311 0.940 1.00 0.00 C ATOM 365 CG LYS A 27 0.766 -5.392 2.106 1.00 0.00 C ATOM 366 CD LYS A 27 1.677 -5.664 3.295 1.00 0.00 C ATOM 367 CE LYS A 27 0.895 -6.160 4.501 1.00 0.00 C ATOM 368 NZ LYS A 27 1.551 -7.332 5.144 1.00 0.00 N ATOM 0 H LYS A 27 -0.499 -4.108 0.113 1.00 0.00 H new ATOM 0 HA LYS A 27 1.111 -6.187 -1.210 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.764 -7.321 1.188 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.173 -6.348 0.814 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.872 -4.353 1.794 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.274 -5.531 2.402 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.426 -6.405 3.017 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.213 -4.752 3.559 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.799 -5.354 5.228 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.114 -6.433 4.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.978 -7.651 5.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.636 -8.105 4.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.498 -7.060 5.477 1.00 0.00 H new ATOM 382 N GLU A 28 -0.882 -7.644 -1.414 1.00 0.00 N ATOM 383 CA GLU A 28 -2.083 -8.422 -1.667 1.00 0.00 C ATOM 384 C GLU A 28 -1.913 -9.851 -1.163 1.00 0.00 C ATOM 385 O GLU A 28 -1.030 -10.579 -1.618 1.00 0.00 O ATOM 386 CB GLU A 28 -2.399 -8.437 -3.162 1.00 0.00 C ATOM 387 CG GLU A 28 -1.166 -8.484 -4.054 1.00 0.00 C ATOM 388 CD GLU A 28 -1.503 -8.324 -5.523 1.00 0.00 C ATOM 389 OE1 GLU A 28 -2.079 -7.279 -5.890 1.00 0.00 O ATOM 390 OE2 GLU A 28 -1.191 -9.246 -6.306 1.00 0.00 O ATOM 0 H GLU A 28 -0.064 -7.950 -1.940 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.910 -7.956 -1.131 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.027 -9.300 -3.382 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.980 -7.549 -3.409 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.476 -7.695 -3.755 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.650 -9.432 -3.905 1.00 0.00 H new ATOM 397 N TRP A 29 -2.765 -10.251 -0.224 1.00 0.00 N ATOM 398 CA TRP A 29 -2.704 -11.596 0.334 1.00 0.00 C ATOM 399 C TRP A 29 -3.890 -12.433 -0.138 1.00 0.00 C ATOM 400 O TRP A 29 -4.995 -11.920 -0.308 1.00 0.00 O ATOM 401 CB TRP A 29 -2.658 -11.549 1.868 1.00 0.00 C ATOM 402 CG TRP A 29 -3.983 -11.311 2.519 1.00 0.00 C ATOM 403 CD1 TRP A 29 -4.734 -12.242 3.149 1.00 0.00 C ATOM 404 CD2 TRP A 29 -4.700 -10.074 2.619 1.00 0.00 C ATOM 405 NE1 TRP A 29 -5.890 -11.679 3.630 1.00 0.00 N ATOM 406 CE2 TRP A 29 -5.893 -10.344 3.318 1.00 0.00 C ATOM 407 CE3 TRP A 29 -4.457 -8.766 2.185 1.00 0.00 C ATOM 408 CZ2 TRP A 29 -6.837 -9.360 3.592 1.00 0.00 C ATOM 409 CZ3 TRP A 29 -5.398 -7.789 2.460 1.00 0.00 C ATOM 410 CH2 TRP A 29 -6.574 -8.090 3.157 1.00 0.00 C ATOM 0 H TRP A 29 -3.503 -9.664 0.165 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.788 -12.067 -0.023 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.250 -12.490 2.236 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.970 -10.762 2.175 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.463 -13.282 3.258 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.625 -12.173 4.136 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.553 -8.524 1.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.745 -9.590 4.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.222 -6.776 2.131 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.288 -7.304 3.355 1.00 0.00 H new ATOM 421 N ARG A 30 -3.651 -13.723 -0.349 1.00 0.00 N ATOM 422 CA ARG A 30 -4.701 -14.628 -0.804 1.00 0.00 C ATOM 423 C ARG A 30 -5.185 -15.517 0.337 1.00 0.00 C ATOM 424 O ARG A 30 -4.448 -15.784 1.286 1.00 0.00 O ATOM 425 CB ARG A 30 -4.207 -15.497 -1.968 1.00 0.00 C ATOM 426 CG ARG A 30 -2.703 -15.733 -1.975 1.00 0.00 C ATOM 427 CD ARG A 30 -2.260 -16.535 -0.762 1.00 0.00 C ATOM 428 NE ARG A 30 -1.235 -17.520 -1.101 1.00 0.00 N ATOM 429 CZ ARG A 30 -0.870 -18.515 -0.298 1.00 0.00 C ATOM 430 NH1 ARG A 30 -1.442 -18.663 0.892 1.00 0.00 N ATOM 431 NH2 ARG A 30 0.070 -19.368 -0.684 1.00 0.00 N ATOM 0 H ARG A 30 -2.742 -14.165 -0.213 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.535 -14.019 -1.151 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.715 -16.461 -1.928 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.494 -15.024 -2.907 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.421 -16.262 -2.885 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.183 -14.775 -1.989 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.874 -15.857 -0.001 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.122 -17.043 -0.329 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.773 -17.440 -2.007 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.166 -18.011 1.195 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.157 -19.428 1.503 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.513 -19.260 -1.597 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.350 -20.131 -0.068 1.00 0.00 H new ATOM 445 N ASP A 31 -6.428 -15.974 0.235 1.00 0.00 N ATOM 446 CA ASP A 31 -7.014 -16.835 1.256 1.00 0.00 C ATOM 447 C ASP A 31 -7.155 -18.264 0.742 1.00 0.00 C ATOM 448 O ASP A 31 -6.885 -19.223 1.466 1.00 0.00 O ATOM 449 CB ASP A 31 -8.380 -16.297 1.683 1.00 0.00 C ATOM 450 CG ASP A 31 -9.310 -16.082 0.506 1.00 0.00 C ATOM 451 OD1 ASP A 31 -10.031 -17.033 0.136 1.00 0.00 O ATOM 452 OD2 ASP A 31 -9.317 -14.962 -0.049 1.00 0.00 O ATOM 0 H ASP A 31 -7.050 -15.762 -0.545 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.349 -16.841 2.119 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.840 -16.995 2.383 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.246 -15.354 2.214 1.00 0.00 H new ATOM 457 N ASN A 32 -7.580 -18.397 -0.510 1.00 0.00 N ATOM 458 CA ASN A 32 -7.758 -19.708 -1.122 1.00 0.00 C ATOM 459 C ASN A 32 -7.899 -19.585 -2.635 1.00 0.00 C ATOM 460 O ASN A 32 -7.222 -20.283 -3.391 1.00 0.00 O ATOM 461 CB ASN A 32 -8.988 -20.406 -0.538 1.00 0.00 C ATOM 462 CG ASN A 32 -8.671 -21.171 0.732 1.00 0.00 C ATOM 463 OD1 ASN A 32 -8.098 -22.259 0.689 1.00 0.00 O ATOM 464 ND2 ASN A 32 -9.045 -20.604 1.875 1.00 0.00 N ATOM 0 H ASN A 32 -7.808 -17.612 -1.121 1.00 0.00 H new ATOM 0 HA ASN A 32 -6.873 -20.306 -0.904 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -9.758 -19.664 -0.329 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.399 -21.092 -1.279 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.859 -21.073 2.762 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -9.518 -19.700 1.865 1.00 0.00 H new ATOM 471 N ARG A 33 -8.782 -18.692 -3.070 1.00 0.00 N ATOM 472 CA ARG A 33 -9.013 -18.474 -4.493 1.00 0.00 C ATOM 473 C ARG A 33 -8.547 -17.083 -4.909 1.00 0.00 C ATOM 474 O ARG A 33 -7.740 -16.935 -5.826 1.00 0.00 O ATOM 475 CB ARG A 33 -10.499 -18.648 -4.827 1.00 0.00 C ATOM 476 CG ARG A 33 -11.434 -18.358 -3.663 1.00 0.00 C ATOM 477 CD ARG A 33 -12.863 -18.762 -3.982 1.00 0.00 C ATOM 478 NE ARG A 33 -13.049 -20.210 -3.923 1.00 0.00 N ATOM 479 CZ ARG A 33 -13.008 -20.917 -2.796 1.00 0.00 C ATOM 480 NH1 ARG A 33 -12.789 -20.314 -1.634 1.00 0.00 N ATOM 481 NH2 ARG A 33 -13.185 -22.231 -2.831 1.00 0.00 N ATOM 0 H ARG A 33 -9.350 -18.107 -2.457 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.436 -19.215 -5.047 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.754 -17.989 -5.657 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.667 -19.670 -5.168 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.092 -18.895 -2.778 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.400 -17.295 -3.424 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.542 -18.280 -3.278 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.128 -18.403 -4.976 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.220 -20.708 -4.796 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.651 -19.304 -1.602 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.759 -20.861 -0.773 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.352 -22.700 -3.721 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.154 -22.773 -1.967 1.00 0.00 H new ATOM 495 N GLY A 34 -9.061 -16.064 -4.225 1.00 0.00 N ATOM 496 CA GLY A 34 -8.685 -14.697 -4.536 1.00 0.00 C ATOM 497 C GLY A 34 -7.814 -14.078 -3.461 1.00 0.00 C ATOM 498 O GLY A 34 -7.496 -14.722 -2.462 1.00 0.00 O ATOM 0 H GLY A 34 -9.731 -16.161 -3.462 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.153 -14.677 -5.487 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.585 -14.095 -4.662 1.00 0.00 H new ATOM 502 N TYR A 35 -7.425 -12.823 -3.668 1.00 0.00 N ATOM 503 CA TYR A 35 -6.586 -12.118 -2.708 1.00 0.00 C ATOM 504 C TYR A 35 -7.024 -10.666 -2.560 1.00 0.00 C ATOM 505 O TYR A 35 -7.526 -10.057 -3.504 1.00 0.00 O ATOM 506 CB TYR A 35 -5.114 -12.175 -3.133 1.00 0.00 C ATOM 507 CG TYR A 35 -4.906 -12.138 -4.632 1.00 0.00 C ATOM 508 CD1 TYR A 35 -5.300 -11.037 -5.381 1.00 0.00 C ATOM 509 CD2 TYR A 35 -4.315 -13.206 -5.295 1.00 0.00 C ATOM 510 CE1 TYR A 35 -5.112 -11.001 -6.750 1.00 0.00 C ATOM 511 CE2 TYR A 35 -4.122 -13.177 -6.663 1.00 0.00 C ATOM 512 CZ TYR A 35 -4.523 -12.073 -7.386 1.00 0.00 C ATOM 513 OH TYR A 35 -4.333 -12.040 -8.748 1.00 0.00 O ATOM 0 H TYR A 35 -7.678 -12.276 -4.491 1.00 0.00 H new ATOM 0 HA TYR A 35 -6.697 -12.614 -1.744 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.583 -11.337 -2.682 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.667 -13.086 -2.736 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.761 -10.195 -4.886 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.001 -14.073 -4.732 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.425 -10.138 -7.318 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -3.659 -14.015 -7.164 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.905 -12.872 -9.039 1.00 0.00 H new ATOM 523 N ARG A 36 -6.827 -10.119 -1.366 1.00 0.00 N ATOM 524 CA ARG A 36 -7.198 -8.738 -1.087 1.00 0.00 C ATOM 525 C ARG A 36 -5.966 -7.840 -1.085 1.00 0.00 C ATOM 526 O ARG A 36 -4.989 -8.113 -0.389 1.00 0.00 O ATOM 527 CB ARG A 36 -7.917 -8.643 0.261 1.00 0.00 C ATOM 528 CG ARG A 36 -9.289 -9.295 0.263 1.00 0.00 C ATOM 529 CD ARG A 36 -10.050 -8.988 1.543 1.00 0.00 C ATOM 530 NE ARG A 36 -11.292 -9.752 1.638 1.00 0.00 N ATOM 531 CZ ARG A 36 -11.352 -11.028 2.012 1.00 0.00 C ATOM 532 NH1 ARG A 36 -10.245 -11.685 2.332 1.00 0.00 N ATOM 533 NH2 ARG A 36 -12.522 -11.648 2.066 1.00 0.00 N ATOM 0 H ARG A 36 -6.412 -10.612 -0.575 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.873 -8.400 -1.873 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.299 -9.112 1.027 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.022 -7.593 0.535 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.861 -8.943 -0.595 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.180 -10.374 0.153 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.419 -9.213 2.403 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.276 -7.922 1.584 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.165 -9.279 1.404 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.342 -11.212 2.292 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.297 -12.663 2.618 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.376 -11.147 1.821 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.568 -12.626 2.353 1.00 0.00 H new ATOM 547 N THR A 37 -6.017 -6.768 -1.868 1.00 0.00 N ATOM 548 CA THR A 37 -4.901 -5.834 -1.955 1.00 0.00 C ATOM 549 C THR A 37 -5.047 -4.713 -0.931 1.00 0.00 C ATOM 550 O THR A 37 -5.864 -3.809 -1.100 1.00 0.00 O ATOM 551 CB THR A 37 -4.810 -5.244 -3.363 1.00 0.00 C ATOM 552 OG1 THR A 37 -4.721 -6.273 -4.333 1.00 0.00 O ATOM 553 CG2 THR A 37 -3.618 -4.330 -3.553 1.00 0.00 C ATOM 0 H THR A 37 -6.818 -6.525 -2.451 1.00 0.00 H new ATOM 0 HA THR A 37 -3.985 -6.383 -1.738 1.00 0.00 H new ATOM 0 HB THR A 37 -5.721 -4.659 -3.490 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.665 -5.876 -5.227 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.613 -3.946 -4.573 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.682 -3.498 -2.852 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.699 -4.888 -3.371 1.00 0.00 H new ATOM 561 N GLU A 38 -4.249 -4.778 0.130 1.00 0.00 N ATOM 562 CA GLU A 38 -4.291 -3.767 1.176 1.00 0.00 C ATOM 563 C GLU A 38 -3.316 -2.634 0.881 1.00 0.00 C ATOM 564 O GLU A 38 -2.328 -2.816 0.164 1.00 0.00 O ATOM 565 CB GLU A 38 -3.975 -4.378 2.542 1.00 0.00 C ATOM 566 CG GLU A 38 -2.942 -5.494 2.504 1.00 0.00 C ATOM 567 CD GLU A 38 -2.518 -5.943 3.888 1.00 0.00 C ATOM 568 OE1 GLU A 38 -2.232 -5.068 4.733 1.00 0.00 O ATOM 569 OE2 GLU A 38 -2.471 -7.167 4.127 1.00 0.00 O ATOM 0 H GLU A 38 -3.567 -5.520 0.286 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.303 -3.362 1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.618 -3.590 3.206 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.897 -4.766 2.975 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.352 -6.345 1.960 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.066 -5.154 1.952 1.00 0.00 H new ATOM 576 N ARG A 39 -3.607 -1.467 1.440 1.00 0.00 N ATOM 577 CA ARG A 39 -2.769 -0.290 1.244 1.00 0.00 C ATOM 578 C ARG A 39 -2.458 0.392 2.574 1.00 0.00 C ATOM 579 O ARG A 39 -2.835 -0.099 3.638 1.00 0.00 O ATOM 580 CB ARG A 39 -3.466 0.695 0.304 1.00 0.00 C ATOM 581 CG ARG A 39 -3.261 0.380 -1.170 1.00 0.00 C ATOM 582 CD ARG A 39 -4.314 -0.591 -1.681 1.00 0.00 C ATOM 583 NE ARG A 39 -5.400 0.094 -2.381 1.00 0.00 N ATOM 584 CZ ARG A 39 -5.523 0.145 -3.708 1.00 0.00 C ATOM 585 NH1 ARG A 39 -4.625 -0.438 -4.493 1.00 0.00 N ATOM 586 NH2 ARG A 39 -6.549 0.785 -4.252 1.00 0.00 N ATOM 0 H ARG A 39 -4.420 -1.309 2.035 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.828 -0.613 0.799 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.534 0.697 0.521 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.097 1.700 0.507 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.302 1.302 -1.750 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.269 -0.046 -1.318 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.847 -1.311 -2.353 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.723 -1.156 -0.843 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.109 0.563 -1.818 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.832 -0.931 -4.082 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.728 -0.393 -5.507 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.242 1.237 -3.656 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.645 0.825 -5.267 1.00 0.00 H new ATOM 600 N GLY A 40 -1.769 1.527 2.503 1.00 0.00 N ATOM 601 CA GLY A 40 -1.419 2.261 3.705 1.00 0.00 C ATOM 602 C GLY A 40 -0.020 2.842 3.642 1.00 0.00 C ATOM 603 O GLY A 40 0.765 2.493 2.760 1.00 0.00 O ATOM 0 H GLY A 40 -1.447 1.952 1.633 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.137 3.067 3.857 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.496 1.598 4.567 1.00 0.00 H new ATOM 607 N CYS A 41 0.294 3.729 4.581 1.00 0.00 N ATOM 608 CA CYS A 41 1.610 4.357 4.627 1.00 0.00 C ATOM 609 C CYS A 41 2.630 3.421 5.270 1.00 0.00 C ATOM 610 O CYS A 41 2.268 2.518 6.024 1.00 0.00 O ATOM 611 CB CYS A 41 1.544 5.678 5.398 1.00 0.00 C ATOM 612 SG CYS A 41 1.609 7.156 4.334 1.00 0.00 S ATOM 0 H CYS A 41 -0.343 4.029 5.319 1.00 0.00 H new ATOM 0 HA CYS A 41 1.927 4.564 3.605 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.623 5.702 5.981 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.371 5.716 6.107 1.00 0.00 H new ATOM 617 N GLY A 42 3.905 3.639 4.962 1.00 0.00 N ATOM 618 CA GLY A 42 4.951 2.800 5.517 1.00 0.00 C ATOM 619 C GLY A 42 5.342 1.675 4.583 1.00 0.00 C ATOM 620 O GLY A 42 5.048 1.718 3.389 1.00 0.00 O ATOM 0 H GLY A 42 4.231 4.379 4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.827 3.411 5.733 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.613 2.381 6.465 1.00 0.00 H new ATOM 624 N CYS A 43 6.008 0.669 5.132 1.00 0.00 N ATOM 625 CA CYS A 43 6.444 -0.482 4.348 1.00 0.00 C ATOM 626 C CYS A 43 7.085 -1.541 5.242 1.00 0.00 C ATOM 627 O CYS A 43 8.287 -1.493 5.509 1.00 0.00 O ATOM 628 CB CYS A 43 7.433 -0.046 3.265 1.00 0.00 C ATOM 629 SG CYS A 43 7.876 -1.370 2.093 1.00 0.00 S ATOM 0 H CYS A 43 6.260 0.625 6.120 1.00 0.00 H new ATOM 0 HA CYS A 43 5.565 -0.917 3.873 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.004 0.789 2.710 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.341 0.322 3.743 1.00 0.00 H new ATOM 634 N PRO A 44 6.291 -2.516 5.717 1.00 0.00 N ATOM 635 CA PRO A 44 6.792 -3.589 6.584 1.00 0.00 C ATOM 636 C PRO A 44 7.990 -4.311 5.975 1.00 0.00 C ATOM 637 O PRO A 44 8.515 -3.899 4.941 1.00 0.00 O ATOM 638 CB PRO A 44 5.600 -4.541 6.702 1.00 0.00 C ATOM 639 CG PRO A 44 4.406 -3.689 6.443 1.00 0.00 C ATOM 640 CD PRO A 44 4.847 -2.651 5.450 1.00 0.00 C ATOM 0 HA PRO A 44 7.144 -3.207 7.542 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.670 -5.354 5.979 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.554 -4.997 7.691 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.581 -4.282 6.048 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.051 -3.224 7.363 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.656 -2.968 4.425 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.321 -1.707 5.595 1.00 0.00 H new ATOM 648 N SER A 45 8.419 -5.389 6.623 1.00 0.00 N ATOM 649 CA SER A 45 9.555 -6.166 6.143 1.00 0.00 C ATOM 650 C SER A 45 9.115 -7.557 5.697 1.00 0.00 C ATOM 651 O SER A 45 9.739 -8.561 6.043 1.00 0.00 O ATOM 652 CB SER A 45 10.622 -6.277 7.235 1.00 0.00 C ATOM 653 OG SER A 45 11.925 -6.157 6.689 1.00 0.00 O ATOM 0 H SER A 45 7.997 -5.744 7.481 1.00 0.00 H new ATOM 0 HA SER A 45 9.980 -5.649 5.283 1.00 0.00 H new ATOM 0 HB2 SER A 45 10.464 -5.499 7.982 1.00 0.00 H new ATOM 0 HB3 SER A 45 10.525 -7.235 7.746 1.00 0.00 H new ATOM 0 HG SER A 45 12.588 -6.230 7.407 1.00 0.00 H new ATOM 659 N VAL A 46 8.034 -7.607 4.926 1.00 0.00 N ATOM 660 CA VAL A 46 7.504 -8.869 4.430 1.00 0.00 C ATOM 661 C VAL A 46 7.468 -8.885 2.904 1.00 0.00 C ATOM 662 O VAL A 46 6.991 -7.939 2.277 1.00 0.00 O ATOM 663 CB VAL A 46 6.085 -9.143 4.969 1.00 0.00 C ATOM 664 CG1 VAL A 46 6.137 -10.096 6.153 1.00 0.00 C ATOM 665 CG2 VAL A 46 5.385 -7.846 5.352 1.00 0.00 C ATOM 0 H VAL A 46 7.507 -6.785 4.631 1.00 0.00 H new ATOM 0 HA VAL A 46 8.173 -9.652 4.787 1.00 0.00 H new ATOM 0 HB VAL A 46 5.507 -9.614 4.174 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.126 -10.277 6.519 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.584 -11.040 5.841 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.738 -9.655 6.949 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.387 -8.069 5.729 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.960 -7.337 6.126 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.307 -7.202 4.476 1.00 0.00 H new ATOM 675 N LYS A 47 7.974 -9.963 2.315 1.00 0.00 N ATOM 676 CA LYS A 47 7.998 -10.099 0.863 1.00 0.00 C ATOM 677 C LYS A 47 8.153 -11.561 0.455 1.00 0.00 C ATOM 678 O LYS A 47 9.231 -11.991 0.045 1.00 0.00 O ATOM 679 CB LYS A 47 9.138 -9.268 0.270 1.00 0.00 C ATOM 680 CG LYS A 47 10.484 -9.522 0.933 1.00 0.00 C ATOM 681 CD LYS A 47 11.564 -9.829 -0.092 1.00 0.00 C ATOM 682 CE LYS A 47 12.954 -9.597 0.477 1.00 0.00 C ATOM 683 NZ LYS A 47 13.964 -9.377 -0.595 1.00 0.00 N ATOM 0 H LYS A 47 8.373 -10.755 2.820 1.00 0.00 H new ATOM 0 HA LYS A 47 7.049 -9.731 0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.220 -9.486 -0.795 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.891 -8.210 0.361 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.773 -8.648 1.517 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.395 -10.356 1.630 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.472 -10.864 -0.420 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.421 -9.202 -0.972 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.935 -8.732 1.141 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.247 -10.456 1.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.898 -9.223 -0.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.001 -10.212 -1.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.699 -8.542 -1.156 1.00 0.00 H new ATOM 697 N LYS A 48 7.068 -12.320 0.570 1.00 0.00 N ATOM 698 CA LYS A 48 7.083 -13.734 0.214 1.00 0.00 C ATOM 699 C LYS A 48 5.664 -14.273 0.063 1.00 0.00 C ATOM 700 O LYS A 48 4.952 -14.462 1.050 1.00 0.00 O ATOM 701 CB LYS A 48 7.839 -14.541 1.272 1.00 0.00 C ATOM 702 CG LYS A 48 9.309 -14.745 0.946 1.00 0.00 C ATOM 703 CD LYS A 48 9.909 -15.877 1.765 1.00 0.00 C ATOM 704 CE LYS A 48 9.748 -17.217 1.065 1.00 0.00 C ATOM 705 NZ LYS A 48 10.313 -17.195 -0.313 1.00 0.00 N ATOM 0 H LYS A 48 6.167 -11.979 0.907 1.00 0.00 H new ATOM 0 HA LYS A 48 7.594 -13.836 -0.743 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.756 -14.033 2.233 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.362 -15.515 1.384 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.420 -14.964 -0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.857 -13.823 1.141 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.967 -15.681 1.939 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.427 -15.916 2.742 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.244 -17.993 1.648 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.691 -17.478 1.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.668 -18.141 -0.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.572 -16.918 -0.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.094 -16.510 -0.357 1.00 0.00 H new ATOM 719 N GLY A 49 5.258 -14.517 -1.179 1.00 0.00 N ATOM 720 CA GLY A 49 3.925 -15.032 -1.436 1.00 0.00 C ATOM 721 C GLY A 49 2.934 -13.933 -1.769 1.00 0.00 C ATOM 722 O GLY A 49 2.079 -14.102 -2.639 1.00 0.00 O ATOM 0 H GLY A 49 5.828 -14.367 -2.012 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.966 -15.743 -2.261 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.575 -15.580 -0.561 1.00 0.00 H new ATOM 726 N ILE A 50 3.049 -12.807 -1.075 1.00 0.00 N ATOM 727 CA ILE A 50 2.158 -11.675 -1.300 1.00 0.00 C ATOM 728 C ILE A 50 2.557 -10.905 -2.554 1.00 0.00 C ATOM 729 O ILE A 50 3.741 -10.674 -2.804 1.00 0.00 O ATOM 730 CB ILE A 50 2.155 -10.718 -0.090 1.00 0.00 C ATOM 731 CG1 ILE A 50 1.836 -11.490 1.193 1.00 0.00 C ATOM 732 CG2 ILE A 50 1.154 -9.590 -0.302 1.00 0.00 C ATOM 733 CD1 ILE A 50 1.668 -10.605 2.410 1.00 0.00 C ATOM 0 H ILE A 50 3.751 -12.653 -0.351 1.00 0.00 H new ATOM 0 HA ILE A 50 1.154 -12.077 -1.434 1.00 0.00 H new ATOM 0 HB ILE A 50 3.147 -10.277 0.008 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.922 -12.064 1.043 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.635 -12.207 1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.166 -8.925 0.562 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.423 -9.028 -1.196 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.155 -10.008 -0.424 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.444 -11.222 3.280 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.589 -10.050 2.586 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.850 -9.905 2.241 1.00 0.00 H new ATOM 745 N GLY A 51 1.560 -10.511 -3.341 1.00 0.00 N ATOM 746 CA GLY A 51 1.825 -9.772 -4.562 1.00 0.00 C ATOM 747 C GLY A 51 1.997 -8.286 -4.316 1.00 0.00 C ATOM 748 O GLY A 51 1.706 -7.796 -3.227 1.00 0.00 O ATOM 0 H GLY A 51 0.573 -10.690 -3.155 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.726 -10.166 -5.033 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.005 -9.928 -5.263 1.00 0.00 H new ATOM 752 N ILE A 52 2.471 -7.573 -5.337 1.00 0.00 N ATOM 753 CA ILE A 52 2.692 -6.130 -5.252 1.00 0.00 C ATOM 754 C ILE A 52 3.566 -5.764 -4.048 1.00 0.00 C ATOM 755 O ILE A 52 3.839 -6.601 -3.189 1.00 0.00 O ATOM 756 CB ILE A 52 1.352 -5.349 -5.218 1.00 0.00 C ATOM 757 CG1 ILE A 52 1.546 -3.939 -5.782 1.00 0.00 C ATOM 758 CG2 ILE A 52 0.755 -5.288 -3.815 1.00 0.00 C ATOM 759 CD1 ILE A 52 0.518 -3.562 -6.827 1.00 0.00 C ATOM 0 H ILE A 52 2.712 -7.977 -6.242 1.00 0.00 H new ATOM 0 HA ILE A 52 3.227 -5.836 -6.155 1.00 0.00 H new ATOM 0 HB ILE A 52 0.643 -5.890 -5.844 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.502 -3.220 -4.964 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.542 -3.865 -6.219 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.182 -4.731 -3.842 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.566 -6.300 -3.456 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.454 -4.789 -3.144 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.715 -2.551 -7.183 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.576 -4.259 -7.663 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.479 -3.604 -6.388 1.00 0.00 H new ATOM 771 N ASN A 53 4.020 -4.512 -4.005 1.00 0.00 N ATOM 772 CA ASN A 53 4.879 -4.045 -2.919 1.00 0.00 C ATOM 773 C ASN A 53 4.574 -2.594 -2.553 1.00 0.00 C ATOM 774 O ASN A 53 3.515 -2.063 -2.887 1.00 0.00 O ATOM 775 CB ASN A 53 6.349 -4.198 -3.327 1.00 0.00 C ATOM 776 CG ASN A 53 6.712 -3.343 -4.526 1.00 0.00 C ATOM 777 OD1 ASN A 53 6.219 -2.225 -4.681 1.00 0.00 O ATOM 778 ND2 ASN A 53 7.580 -3.866 -5.384 1.00 0.00 N ATOM 0 H ASN A 53 3.808 -3.805 -4.708 1.00 0.00 H new ATOM 0 HA ASN A 53 4.683 -4.654 -2.036 1.00 0.00 H new ATOM 0 HB2 ASN A 53 6.986 -3.927 -2.485 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.552 -5.244 -3.556 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.862 -3.338 -6.210 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.964 -4.796 -5.217 1.00 0.00 H new ATOM 785 N CYS A 54 5.508 -1.963 -1.853 1.00 0.00 N ATOM 786 CA CYS A 54 5.344 -0.575 -1.432 1.00 0.00 C ATOM 787 C CYS A 54 5.780 0.385 -2.536 1.00 0.00 C ATOM 788 O CYS A 54 6.365 -0.028 -3.538 1.00 0.00 O ATOM 789 CB CYS A 54 6.154 -0.299 -0.161 1.00 0.00 C ATOM 790 SG CYS A 54 6.169 -1.673 1.036 1.00 0.00 S ATOM 0 H CYS A 54 6.388 -2.390 -1.564 1.00 0.00 H new ATOM 0 HA CYS A 54 4.286 -0.413 -1.224 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.181 -0.067 -0.443 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.750 0.588 0.327 1.00 0.00 H new ATOM 795 N CYS A 55 5.494 1.667 -2.341 1.00 0.00 N ATOM 796 CA CYS A 55 5.858 2.692 -3.313 1.00 0.00 C ATOM 797 C CYS A 55 6.142 4.019 -2.617 1.00 0.00 C ATOM 798 O CYS A 55 5.903 4.164 -1.418 1.00 0.00 O ATOM 799 CB CYS A 55 4.744 2.872 -4.347 1.00 0.00 C ATOM 800 SG CYS A 55 3.063 2.892 -3.642 1.00 0.00 S ATOM 0 H CYS A 55 5.010 2.022 -1.517 1.00 0.00 H new ATOM 0 HA CYS A 55 6.763 2.366 -3.825 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.911 3.805 -4.885 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.809 2.066 -5.078 1.00 0.00 H new ATOM 805 N THR A 56 6.655 4.984 -3.372 1.00 0.00 N ATOM 806 CA THR A 56 6.971 6.295 -2.820 1.00 0.00 C ATOM 807 C THR A 56 6.528 7.414 -3.761 1.00 0.00 C ATOM 808 O THR A 56 7.335 8.245 -4.178 1.00 0.00 O ATOM 809 CB THR A 56 8.472 6.405 -2.546 1.00 0.00 C ATOM 810 OG1 THR A 56 8.810 7.711 -2.115 1.00 0.00 O ATOM 811 CG2 THR A 56 9.325 6.085 -3.755 1.00 0.00 C ATOM 0 H THR A 56 6.860 4.883 -4.366 1.00 0.00 H new ATOM 0 HA THR A 56 6.426 6.405 -1.883 1.00 0.00 H new ATOM 0 HB THR A 56 8.678 5.668 -1.770 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.563 8.358 -2.808 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.379 6.182 -3.493 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.125 5.065 -4.082 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.087 6.778 -4.562 1.00 0.00 H new ATOM 819 N THR A 57 5.240 7.429 -4.087 1.00 0.00 N ATOM 820 CA THR A 57 4.691 8.448 -4.974 1.00 0.00 C ATOM 821 C THR A 57 3.231 8.734 -4.635 1.00 0.00 C ATOM 822 O THR A 57 2.530 7.879 -4.094 1.00 0.00 O ATOM 823 CB THR A 57 4.814 8.008 -6.433 1.00 0.00 C ATOM 824 OG1 THR A 57 4.914 6.598 -6.527 1.00 0.00 O ATOM 825 CG2 THR A 57 6.015 8.599 -7.138 1.00 0.00 C ATOM 0 H THR A 57 4.558 6.749 -3.751 1.00 0.00 H new ATOM 0 HA THR A 57 5.264 9.364 -4.832 1.00 0.00 H new ATOM 0 HB THR A 57 3.910 8.373 -6.920 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.990 6.338 -7.469 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.042 8.246 -8.169 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.944 9.687 -7.129 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.926 8.291 -6.625 1.00 0.00 H new ATOM 833 N ASP A 58 2.780 9.943 -4.955 1.00 0.00 N ATOM 834 CA ASP A 58 1.406 10.344 -4.685 1.00 0.00 C ATOM 835 C ASP A 58 0.419 9.419 -5.390 1.00 0.00 C ATOM 836 O ASP A 58 0.501 9.216 -6.602 1.00 0.00 O ATOM 837 CB ASP A 58 1.186 11.788 -5.138 1.00 0.00 C ATOM 838 CG ASP A 58 1.737 12.052 -6.526 1.00 0.00 C ATOM 839 OD1 ASP A 58 2.969 12.217 -6.654 1.00 0.00 O ATOM 840 OD2 ASP A 58 0.938 12.092 -7.485 1.00 0.00 O ATOM 0 H ASP A 58 3.348 10.662 -5.402 1.00 0.00 H new ATOM 0 HA ASP A 58 1.233 10.273 -3.611 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.119 12.011 -5.126 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.661 12.465 -4.427 1.00 0.00 H new ATOM 845 N ARG A 59 -0.511 8.858 -4.624 1.00 0.00 N ATOM 846 CA ARG A 59 -1.513 7.951 -5.176 1.00 0.00 C ATOM 847 C ARG A 59 -0.847 6.780 -5.892 1.00 0.00 C ATOM 848 O ARG A 59 -1.398 6.227 -6.844 1.00 0.00 O ATOM 849 CB ARG A 59 -2.432 8.701 -6.142 1.00 0.00 C ATOM 850 CG ARG A 59 -3.310 9.740 -5.464 1.00 0.00 C ATOM 851 CD ARG A 59 -4.500 10.115 -6.331 1.00 0.00 C ATOM 852 NE ARG A 59 -4.128 11.040 -7.400 1.00 0.00 N ATOM 853 CZ ARG A 59 -4.905 11.316 -8.445 1.00 0.00 C ATOM 854 NH1 ARG A 59 -6.095 10.742 -8.567 1.00 0.00 N ATOM 855 NH2 ARG A 59 -4.489 12.169 -9.372 1.00 0.00 N ATOM 0 H ARG A 59 -0.592 9.015 -3.619 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.109 7.559 -4.352 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.824 9.192 -6.902 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.068 7.981 -6.658 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.663 9.352 -4.508 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.721 10.631 -5.248 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.931 9.213 -6.766 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.272 10.570 -5.710 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.220 11.501 -7.342 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.419 10.085 -7.858 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.685 10.958 -9.370 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.575 12.612 -9.284 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.083 12.381 -10.173 1.00 0.00 H new ATOM 869 N CYS A 60 0.343 6.412 -5.430 1.00 0.00 N ATOM 870 CA CYS A 60 1.092 5.315 -6.022 1.00 0.00 C ATOM 871 C CYS A 60 0.392 3.975 -5.802 1.00 0.00 C ATOM 872 O CYS A 60 0.728 2.980 -6.446 1.00 0.00 O ATOM 873 CB CYS A 60 2.500 5.276 -5.432 1.00 0.00 C ATOM 874 SG CYS A 60 2.556 4.857 -3.659 1.00 0.00 S ATOM 0 H CYS A 60 0.810 6.862 -4.643 1.00 0.00 H new ATOM 0 HA CYS A 60 1.151 5.485 -7.097 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.093 4.548 -5.985 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.971 6.248 -5.579 1.00 0.00 H new ATOM 879 N ASN A 61 -0.580 3.948 -4.894 1.00 0.00 N ATOM 880 CA ASN A 61 -1.315 2.723 -4.604 1.00 0.00 C ATOM 881 C ASN A 61 -2.754 2.817 -5.106 1.00 0.00 C ATOM 882 O ASN A 61 -3.696 2.469 -4.394 1.00 0.00 O ATOM 883 CB ASN A 61 -1.295 2.433 -3.099 1.00 0.00 C ATOM 884 CG ASN A 61 -2.111 3.431 -2.299 1.00 0.00 C ATOM 885 OD1 ASN A 61 -2.672 4.377 -2.850 1.00 0.00 O ATOM 886 ND2 ASN A 61 -2.175 3.220 -0.990 1.00 0.00 N ATOM 0 H ASN A 61 -0.875 4.758 -4.349 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.825 1.902 -5.127 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.681 1.429 -2.922 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.264 2.446 -2.744 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.706 3.857 -0.396 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.693 2.421 -0.578 1.00 0.00 H new ATOM 893 N ASN A 62 -2.913 3.288 -6.339 1.00 0.00 N ATOM 894 CA ASN A 62 -4.230 3.429 -6.941 1.00 0.00 C ATOM 895 C ASN A 62 -4.873 2.066 -7.172 1.00 0.00 C ATOM 896 O ASN A 62 -6.065 1.911 -6.834 1.00 0.00 O ATOM 897 CB ASN A 62 -4.119 4.186 -8.264 1.00 0.00 C ATOM 898 CG ASN A 62 -3.043 3.617 -9.168 1.00 0.00 C ATOM 899 OD1 ASN A 62 -2.312 2.703 -8.786 1.00 0.00 O ATOM 900 ND2 ASN A 62 -2.940 4.156 -10.377 1.00 0.00 N ATOM 901 OXT ASN A 62 -4.179 1.165 -7.690 1.00 0.00 O ATOM 0 H ASN A 62 -2.142 3.579 -6.941 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.862 3.992 -6.255 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.078 4.152 -8.780 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.902 5.235 -8.062 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.235 3.814 -11.029 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.566 4.912 -10.653 1.00 0.00 H new