USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 443 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 56 SER OG : rot 54:sc= 1.2 USER MOD Set 1.2: A 60 HIS : no HE2:sc= -2.26 K(o=-1.1,f=-3.8!) USER MOD Set 2.1: A 47 ASN : amide:sc= 1.49 K(o=2.3,f=-3.7!) USER MOD Set 2.2: A 49 THR OG1 : rot -160:sc= 0.851 USER MOD Set 3.1: A 3 LYS NZ :NH3+ -152:sc= 0.672 (180deg=0.313) USER MOD Set 3.2: A 29 TYR OH : rot 165:sc= 1.29 USER MOD Set 4.1: A 9 SER OG : rot -61:sc= 1.14 USER MOD Set 4.2: A 10 HIS : no HD1:sc= -0.853 X(o=0.29,f=0.59) USER MOD Single : A 1 LEU N :NH3+ -119:sc= -0.0738 (180deg=-2.03!) USER MOD Single : A 2 THR OG1 : rot -177:sc= 1.43 USER MOD Single : A 5 GLN : amide:sc= -0.0646 K(o=-0.065,f=-2.9!) USER MOD Single : A 15 HIS : no HE2:sc= 0.664 K(o=0.66,f=-3.3!) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0186 USER MOD Single : A 22 LYS NZ :NH3+ -177:sc= 1.06 (180deg=1.05) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= 0.958 K(o=0.96,f=-0.0079) USER MOD Single : A 33 GLN : amide:sc= 1.89 K(o=1.9,f=-4.4!) USER MOD Single : A 35 TYR OH : rot 31:sc= 1.23 USER MOD Single : A 37 SER OG : rot 97:sc= 1.52 USER MOD Single : A 40 TYR OH : rot 100:sc= 0.635 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 54 THR OG1 : rot -101:sc= 1.76 USER MOD Single : A 59 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.22) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 14.676 10.528 -0.469 1.00 0.00 N ATOM 2 CA LEU A 1 13.747 9.458 -0.127 1.00 0.00 C ATOM 3 C LEU A 1 12.735 9.942 0.931 1.00 0.00 C ATOM 4 O LEU A 1 12.787 11.079 1.400 1.00 0.00 O ATOM 5 CB LEU A 1 14.528 8.204 0.337 1.00 0.00 C ATOM 6 CG LEU A 1 15.078 7.327 -0.808 1.00 0.00 C ATOM 7 CD1 LEU A 1 16.311 7.923 -1.494 1.00 0.00 C ATOM 8 CD2 LEU A 1 15.458 5.949 -0.257 1.00 0.00 C ATOM 0 H1 LEU A 1 14.589 10.753 -1.481 1.00 0.00 H new ATOM 0 H2 LEU A 1 14.454 11.374 0.094 1.00 0.00 H new ATOM 0 H3 LEU A 1 15.649 10.222 -0.265 1.00 0.00 H new ATOM 0 HA LEU A 1 13.175 9.178 -1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 1 15.360 8.523 0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 1 13.874 7.595 0.961 1.00 0.00 H new ATOM 0 HG LEU A 1 14.284 7.261 -1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 1 16.644 7.255 -2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 1 16.057 8.894 -1.919 1.00 0.00 H new ATOM 0 HD13 LEU A 1 17.111 8.045 -0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 1 15.847 5.329 -1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 1 16.221 6.063 0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 1 14.577 5.474 0.174 1.00 0.00 H new ATOM 20 N THR A 2 11.805 9.058 1.295 1.00 0.00 N ATOM 21 CA THR A 2 10.804 9.188 2.351 1.00 0.00 C ATOM 22 C THR A 2 10.691 7.852 3.088 1.00 0.00 C ATOM 23 O THR A 2 11.205 6.843 2.606 1.00 0.00 O ATOM 24 CB THR A 2 9.425 9.559 1.777 1.00 0.00 C ATOM 25 OG1 THR A 2 8.938 8.483 0.997 1.00 0.00 O ATOM 26 CG2 THR A 2 9.441 10.838 0.937 1.00 0.00 C ATOM 0 H THR A 2 11.728 8.159 0.819 1.00 0.00 H new ATOM 0 HA THR A 2 11.118 9.983 3.028 1.00 0.00 H new ATOM 0 HB THR A 2 8.769 9.752 2.626 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.079 8.732 0.597 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.437 11.041 0.564 1.00 0.00 H new ATOM 0 HG22 THR A 2 9.775 11.673 1.553 1.00 0.00 H new ATOM 0 HG23 THR A 2 10.123 10.712 0.096 1.00 0.00 H new ATOM 34 N LYS A 3 9.955 7.799 4.206 1.00 0.00 N ATOM 35 CA LYS A 3 9.644 6.542 4.908 1.00 0.00 C ATOM 36 C LYS A 3 9.003 5.498 3.978 1.00 0.00 C ATOM 37 O LYS A 3 9.325 4.314 4.071 1.00 0.00 O ATOM 38 CB LYS A 3 8.754 6.863 6.118 1.00 0.00 C ATOM 39 CG LYS A 3 8.643 5.696 7.111 1.00 0.00 C ATOM 40 CD LYS A 3 7.673 6.073 8.241 1.00 0.00 C ATOM 41 CE LYS A 3 7.478 4.954 9.267 1.00 0.00 C ATOM 42 NZ LYS A 3 6.715 3.822 8.709 1.00 0.00 N ATOM 0 H LYS A 3 9.557 8.626 4.651 1.00 0.00 H new ATOM 0 HA LYS A 3 10.572 6.088 5.255 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.154 7.735 6.635 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.757 7.130 5.768 1.00 0.00 H new ATOM 0 HG2 LYS A 3 8.290 4.801 6.598 1.00 0.00 H new ATOM 0 HG3 LYS A 3 9.624 5.461 7.523 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.046 6.962 8.749 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.707 6.334 7.810 1.00 0.00 H new ATOM 0 HE2 LYS A 3 8.451 4.602 9.609 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.957 5.348 10.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.204 3.337 9.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.033 4.175 8.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.369 3.155 8.252 1.00 0.00 H new ATOM 56 N CYS A 4 8.178 5.948 3.025 1.00 0.00 N ATOM 57 CA CYS A 4 7.666 5.115 1.944 1.00 0.00 C ATOM 58 C CYS A 4 8.805 4.586 1.063 1.00 0.00 C ATOM 59 O CYS A 4 9.012 3.376 1.011 1.00 0.00 O ATOM 60 CB CYS A 4 6.615 5.883 1.131 1.00 0.00 C ATOM 61 SG CYS A 4 5.797 4.841 -0.098 1.00 0.00 S ATOM 0 H CYS A 4 7.847 6.912 2.987 1.00 0.00 H new ATOM 0 HA CYS A 4 7.176 4.244 2.378 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.867 6.297 1.808 1.00 0.00 H new ATOM 0 HB3 CYS A 4 7.092 6.725 0.630 1.00 0.00 H new ATOM 66 N GLN A 5 9.562 5.472 0.399 1.00 0.00 N ATOM 67 CA GLN A 5 10.619 5.074 -0.545 1.00 0.00 C ATOM 68 C GLN A 5 11.710 4.216 0.124 1.00 0.00 C ATOM 69 O GLN A 5 12.242 3.296 -0.495 1.00 0.00 O ATOM 70 CB GLN A 5 11.243 6.319 -1.200 1.00 0.00 C ATOM 71 CG GLN A 5 10.266 7.197 -2.007 1.00 0.00 C ATOM 72 CD GLN A 5 9.886 6.617 -3.371 1.00 0.00 C ATOM 73 OE1 GLN A 5 9.688 5.428 -3.553 1.00 0.00 O ATOM 74 NE2 GLN A 5 9.754 7.445 -4.389 1.00 0.00 N ATOM 0 H GLN A 5 9.460 6.482 0.500 1.00 0.00 H new ATOM 0 HA GLN A 5 10.152 4.457 -1.313 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.697 6.931 -0.420 1.00 0.00 H new ATOM 0 HB3 GLN A 5 12.048 5.997 -1.861 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.359 7.345 -1.421 1.00 0.00 H new ATOM 0 HG3 GLN A 5 10.714 8.180 -2.154 1.00 0.00 H new ATOM 0 HE21 GLN A 5 9.915 8.444 -4.258 1.00 0.00 H new ATOM 0 HE22 GLN A 5 9.491 7.087 -5.307 1.00 0.00 H new ATOM 83 N GLU A 6 11.999 4.472 1.405 1.00 0.00 N ATOM 84 CA GLU A 6 12.839 3.633 2.255 1.00 0.00 C ATOM 85 C GLU A 6 12.245 2.227 2.342 1.00 0.00 C ATOM 86 O GLU A 6 12.884 1.271 1.907 1.00 0.00 O ATOM 87 CB GLU A 6 12.951 4.263 3.651 1.00 0.00 C ATOM 88 CG GLU A 6 13.849 5.511 3.673 1.00 0.00 C ATOM 89 CD GLU A 6 13.517 6.447 4.839 1.00 0.00 C ATOM 90 OE1 GLU A 6 13.257 5.929 5.948 1.00 0.00 O ATOM 91 OE2 GLU A 6 13.515 7.676 4.602 1.00 0.00 O ATOM 0 H GLU A 6 11.642 5.295 1.890 1.00 0.00 H new ATOM 0 HA GLU A 6 13.838 3.560 1.825 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.955 4.532 4.004 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.347 3.524 4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.892 5.204 3.743 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.738 6.052 2.733 1.00 0.00 H new ATOM 98 N GLU A 7 11.018 2.085 2.846 1.00 0.00 N ATOM 99 CA GLU A 7 10.390 0.775 3.032 1.00 0.00 C ATOM 100 C GLU A 7 10.147 0.009 1.721 1.00 0.00 C ATOM 101 O GLU A 7 10.218 -1.220 1.726 1.00 0.00 O ATOM 102 CB GLU A 7 9.081 0.927 3.811 1.00 0.00 C ATOM 103 CG GLU A 7 9.338 1.297 5.280 1.00 0.00 C ATOM 104 CD GLU A 7 8.057 1.619 6.054 1.00 0.00 C ATOM 105 OE1 GLU A 7 7.004 1.859 5.416 1.00 0.00 O ATOM 106 OE2 GLU A 7 8.151 1.645 7.300 1.00 0.00 O ATOM 0 H GLU A 7 10.434 2.870 3.135 1.00 0.00 H new ATOM 0 HA GLU A 7 11.098 0.174 3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.466 1.696 3.344 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.518 -0.005 3.763 1.00 0.00 H new ATOM 0 HG2 GLU A 7 9.854 0.472 5.771 1.00 0.00 H new ATOM 0 HG3 GLU A 7 10.005 2.158 5.320 1.00 0.00 H new ATOM 113 N VAL A 8 9.937 0.707 0.597 1.00 0.00 N ATOM 114 CA VAL A 8 9.912 0.108 -0.748 1.00 0.00 C ATOM 115 C VAL A 8 11.260 -0.544 -1.095 1.00 0.00 C ATOM 116 O VAL A 8 11.292 -1.560 -1.788 1.00 0.00 O ATOM 117 CB VAL A 8 9.517 1.155 -1.809 1.00 0.00 C ATOM 118 CG1 VAL A 8 9.581 0.624 -3.248 1.00 0.00 C ATOM 119 CG2 VAL A 8 8.066 1.609 -1.620 1.00 0.00 C ATOM 0 H VAL A 8 9.778 1.714 0.594 1.00 0.00 H new ATOM 0 HA VAL A 8 9.155 -0.677 -0.748 1.00 0.00 H new ATOM 0 HB VAL A 8 10.236 1.962 -1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.290 1.414 -3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.598 0.301 -3.472 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.900 -0.221 -3.355 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.814 2.347 -2.381 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.401 0.750 -1.713 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.950 2.053 -0.631 1.00 0.00 H new ATOM 129 N SER A 9 12.370 0.016 -0.600 1.00 0.00 N ATOM 130 CA SER A 9 13.698 -0.612 -0.663 1.00 0.00 C ATOM 131 C SER A 9 13.928 -1.686 0.417 1.00 0.00 C ATOM 132 O SER A 9 14.675 -2.628 0.168 1.00 0.00 O ATOM 133 CB SER A 9 14.802 0.453 -0.622 1.00 0.00 C ATOM 134 OG SER A 9 15.035 0.958 0.678 1.00 0.00 O ATOM 0 H SER A 9 12.373 0.926 -0.140 1.00 0.00 H new ATOM 0 HA SER A 9 13.741 -1.137 -1.617 1.00 0.00 H new ATOM 0 HB2 SER A 9 15.726 0.025 -1.011 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.529 1.276 -1.282 1.00 0.00 H new ATOM 0 HG SER A 9 14.219 1.383 1.015 1.00 0.00 H new ATOM 140 N HIS A 10 13.283 -1.582 1.594 1.00 0.00 N ATOM 141 CA HIS A 10 13.378 -2.587 2.666 1.00 0.00 C ATOM 142 C HIS A 10 12.701 -3.901 2.253 1.00 0.00 C ATOM 143 O HIS A 10 13.272 -4.975 2.432 1.00 0.00 O ATOM 144 CB HIS A 10 12.721 -2.111 3.979 1.00 0.00 C ATOM 145 CG HIS A 10 13.276 -0.884 4.665 1.00 0.00 C ATOM 146 ND1 HIS A 10 12.857 -0.411 5.889 1.00 0.00 N ATOM 147 CD2 HIS A 10 14.215 -0.009 4.191 1.00 0.00 C ATOM 148 CE1 HIS A 10 13.528 0.727 6.141 1.00 0.00 C ATOM 149 NE2 HIS A 10 14.364 1.012 5.133 1.00 0.00 N ATOM 0 H HIS A 10 12.679 -0.794 1.828 1.00 0.00 H new ATOM 0 HA HIS A 10 14.444 -2.741 2.834 1.00 0.00 H new ATOM 0 HB2 HIS A 10 11.667 -1.926 3.773 1.00 0.00 H new ATOM 0 HB3 HIS A 10 12.767 -2.936 4.690 1.00 0.00 H new ATOM 0 HD2 HIS A 10 14.747 -0.093 3.255 1.00 0.00 H new ATOM 0 HE1 HIS A 10 13.410 1.327 7.031 1.00 0.00 H new ATOM 0 HE2 HIS A 10 14.987 1.817 5.067 1.00 0.00 H new ATOM 157 N ILE A 11 11.469 -3.815 1.735 1.00 0.00 N ATOM 158 CA ILE A 11 10.691 -4.958 1.255 1.00 0.00 C ATOM 159 C ILE A 11 11.008 -5.174 -0.232 1.00 0.00 C ATOM 160 O ILE A 11 10.635 -4.323 -1.036 1.00 0.00 O ATOM 161 CB ILE A 11 9.176 -4.721 1.459 1.00 0.00 C ATOM 162 CG1 ILE A 11 8.788 -4.351 2.909 1.00 0.00 C ATOM 163 CG2 ILE A 11 8.386 -5.961 0.996 1.00 0.00 C ATOM 164 CD1 ILE A 11 9.191 -5.387 3.964 1.00 0.00 C ATOM 0 H ILE A 11 10.977 -2.927 1.637 1.00 0.00 H new ATOM 0 HA ILE A 11 10.961 -5.847 1.825 1.00 0.00 H new ATOM 0 HB ILE A 11 8.916 -3.855 0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.250 -3.397 3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.709 -4.206 2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.320 -5.788 1.142 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.583 -6.144 -0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.696 -6.828 1.579 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.879 -5.043 4.950 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.708 -6.339 3.742 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.273 -5.517 3.951 1.00 0.00 H new ATOM 176 N PRO A 12 11.667 -6.275 -0.639 1.00 0.00 N ATOM 177 CA PRO A 12 11.866 -6.580 -2.054 1.00 0.00 C ATOM 178 C PRO A 12 10.558 -7.051 -2.711 1.00 0.00 C ATOM 179 O PRO A 12 9.629 -7.494 -2.035 1.00 0.00 O ATOM 180 CB PRO A 12 12.928 -7.684 -2.063 1.00 0.00 C ATOM 181 CG PRO A 12 12.638 -8.449 -0.772 1.00 0.00 C ATOM 182 CD PRO A 12 12.205 -7.344 0.192 1.00 0.00 C ATOM 0 HA PRO A 12 12.179 -5.706 -2.626 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.838 -8.324 -2.941 1.00 0.00 H new ATOM 0 HB3 PRO A 12 13.938 -7.273 -2.071 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.854 -9.193 -0.911 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.519 -8.978 -0.410 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.454 -7.709 0.892 1.00 0.00 H new ATOM 0 HD3 PRO A 12 13.049 -6.991 0.785 1.00 0.00 H new ATOM 190 N ALA A 13 10.523 -7.061 -4.049 1.00 0.00 N ATOM 191 CA ALA A 13 9.399 -7.594 -4.826 1.00 0.00 C ATOM 192 C ALA A 13 9.099 -9.083 -4.533 1.00 0.00 C ATOM 193 O ALA A 13 7.983 -9.549 -4.754 1.00 0.00 O ATOM 194 CB ALA A 13 9.689 -7.370 -6.314 1.00 0.00 C ATOM 0 H ALA A 13 11.280 -6.696 -4.627 1.00 0.00 H new ATOM 0 HA ALA A 13 8.498 -7.058 -4.528 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.863 -7.760 -6.908 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.802 -6.303 -6.506 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.609 -7.887 -6.587 1.00 0.00 H new ATOM 200 N VAL A 14 10.069 -9.821 -3.978 1.00 0.00 N ATOM 201 CA VAL A 14 9.897 -11.175 -3.442 1.00 0.00 C ATOM 202 C VAL A 14 9.208 -11.085 -2.070 1.00 0.00 C ATOM 203 O VAL A 14 9.817 -11.317 -1.028 1.00 0.00 O ATOM 204 CB VAL A 14 11.238 -11.944 -3.394 1.00 0.00 C ATOM 205 CG1 VAL A 14 11.014 -13.427 -3.056 1.00 0.00 C ATOM 206 CG2 VAL A 14 11.970 -11.899 -4.747 1.00 0.00 C ATOM 0 H VAL A 14 11.026 -9.480 -3.887 1.00 0.00 H new ATOM 0 HA VAL A 14 9.257 -11.754 -4.108 1.00 0.00 H new ATOM 0 HB VAL A 14 11.836 -11.456 -2.625 1.00 0.00 H new ATOM 0 HG11 VAL A 14 11.974 -13.943 -3.029 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.530 -13.509 -2.083 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.379 -13.882 -3.816 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.907 -12.450 -4.672 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.343 -12.352 -5.515 1.00 0.00 H new ATOM 0 HG23 VAL A 14 12.179 -10.863 -5.013 1.00 0.00 H new ATOM 216 N HIS A 15 7.910 -10.762 -2.091 1.00 0.00 N ATOM 217 CA HIS A 15 7.031 -10.724 -0.913 1.00 0.00 C ATOM 218 C HIS A 15 5.837 -11.723 -0.930 1.00 0.00 C ATOM 219 O HIS A 15 4.831 -11.433 -0.277 1.00 0.00 O ATOM 220 CB HIS A 15 6.593 -9.265 -0.676 1.00 0.00 C ATOM 221 CG HIS A 15 5.574 -8.744 -1.662 1.00 0.00 C ATOM 222 ND1 HIS A 15 4.206 -8.796 -1.513 1.00 0.00 N ATOM 223 CD2 HIS A 15 5.835 -8.095 -2.838 1.00 0.00 C ATOM 224 CE1 HIS A 15 3.657 -8.192 -2.581 1.00 0.00 C ATOM 225 NE2 HIS A 15 4.610 -7.750 -3.414 1.00 0.00 N ATOM 0 H HIS A 15 7.426 -10.512 -2.953 1.00 0.00 H new ATOM 0 HA HIS A 15 7.615 -11.083 -0.065 1.00 0.00 H new ATOM 0 HB2 HIS A 15 6.181 -9.183 0.330 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.474 -8.625 -0.713 1.00 0.00 H new ATOM 0 HD1 HIS A 15 3.701 -9.217 -0.733 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.812 -7.887 -3.247 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.596 -8.079 -2.745 1.00 0.00 H new ATOM 233 N PRO A 16 5.874 -12.888 -1.624 1.00 0.00 N ATOM 234 CA PRO A 16 4.703 -13.758 -1.782 1.00 0.00 C ATOM 235 C PRO A 16 4.199 -14.301 -0.436 1.00 0.00 C ATOM 236 O PRO A 16 4.909 -15.015 0.268 1.00 0.00 O ATOM 237 CB PRO A 16 5.136 -14.879 -2.735 1.00 0.00 C ATOM 238 CG PRO A 16 6.637 -14.987 -2.488 1.00 0.00 C ATOM 239 CD PRO A 16 7.036 -13.537 -2.224 1.00 0.00 C ATOM 0 HA PRO A 16 3.857 -13.205 -2.190 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.623 -15.815 -2.514 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.916 -14.632 -3.774 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.863 -15.631 -1.638 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.161 -15.401 -3.349 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.896 -13.487 -1.556 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.323 -13.039 -3.150 1.00 0.00 H new ATOM 247 N GLY A 17 2.970 -13.922 -0.070 1.00 0.00 N ATOM 248 CA GLY A 17 2.343 -14.211 1.227 1.00 0.00 C ATOM 249 C GLY A 17 2.320 -13.000 2.169 1.00 0.00 C ATOM 250 O GLY A 17 1.562 -12.987 3.140 1.00 0.00 O ATOM 0 H GLY A 17 2.362 -13.387 -0.690 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.322 -14.554 1.061 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.880 -15.028 1.709 1.00 0.00 H new ATOM 254 N SER A 18 3.084 -11.950 1.845 1.00 0.00 N ATOM 255 CA SER A 18 3.176 -10.685 2.573 1.00 0.00 C ATOM 256 C SER A 18 2.754 -9.492 1.699 1.00 0.00 C ATOM 257 O SER A 18 2.411 -9.639 0.517 1.00 0.00 O ATOM 258 CB SER A 18 4.601 -10.524 3.117 1.00 0.00 C ATOM 259 OG SER A 18 4.638 -9.480 4.072 1.00 0.00 O ATOM 0 H SER A 18 3.687 -11.964 1.022 1.00 0.00 H new ATOM 0 HA SER A 18 2.479 -10.703 3.411 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.933 -11.457 3.572 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.289 -10.306 2.300 1.00 0.00 H new ATOM 0 HG SER A 18 5.550 -9.384 4.416 1.00 0.00 H new ATOM 265 N PHE A 19 2.750 -8.311 2.318 1.00 0.00 N ATOM 266 CA PHE A 19 2.504 -6.992 1.740 1.00 0.00 C ATOM 267 C PHE A 19 3.826 -6.339 1.296 1.00 0.00 C ATOM 268 O PHE A 19 4.897 -6.677 1.801 1.00 0.00 O ATOM 269 CB PHE A 19 1.800 -6.149 2.824 1.00 0.00 C ATOM 270 CG PHE A 19 1.741 -4.650 2.579 1.00 0.00 C ATOM 271 CD1 PHE A 19 0.907 -4.127 1.576 1.00 0.00 C ATOM 272 CD2 PHE A 19 2.546 -3.775 3.335 1.00 0.00 C ATOM 273 CE1 PHE A 19 0.871 -2.744 1.330 1.00 0.00 C ATOM 274 CE2 PHE A 19 2.505 -2.390 3.098 1.00 0.00 C ATOM 275 CZ PHE A 19 1.664 -1.874 2.097 1.00 0.00 C ATOM 0 H PHE A 19 2.934 -8.249 3.319 1.00 0.00 H new ATOM 0 HA PHE A 19 1.878 -7.066 0.851 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.780 -6.518 2.936 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.307 -6.321 3.774 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.290 -4.792 0.991 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.198 -4.170 4.100 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.234 -2.350 0.552 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.119 -1.723 3.685 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.627 -0.810 1.918 1.00 0.00 H new ATOM 285 N ARG A 20 3.731 -5.358 0.388 1.00 0.00 N ATOM 286 CA ARG A 20 4.816 -4.464 -0.016 1.00 0.00 C ATOM 287 C ARG A 20 4.242 -3.061 -0.265 1.00 0.00 C ATOM 288 O ARG A 20 3.229 -2.963 -0.961 1.00 0.00 O ATOM 289 CB ARG A 20 5.497 -5.037 -1.268 1.00 0.00 C ATOM 290 CG ARG A 20 6.669 -4.165 -1.732 1.00 0.00 C ATOM 291 CD ARG A 20 7.481 -4.841 -2.834 1.00 0.00 C ATOM 292 NE ARG A 20 8.757 -4.134 -3.011 1.00 0.00 N ATOM 293 CZ ARG A 20 9.263 -3.589 -4.103 1.00 0.00 C ATOM 294 NH1 ARG A 20 8.677 -3.702 -5.271 1.00 0.00 N ATOM 295 NH2 ARG A 20 10.379 -2.902 -4.019 1.00 0.00 N ATOM 0 H ARG A 20 2.859 -5.161 -0.103 1.00 0.00 H new ATOM 0 HA ARG A 20 5.568 -4.385 0.769 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.856 -6.044 -1.057 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.766 -5.121 -2.072 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.289 -3.210 -2.095 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.318 -3.948 -0.884 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.664 -5.884 -2.577 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.919 -4.837 -3.768 1.00 0.00 H new ATOM 0 HE ARG A 20 9.333 -4.053 -2.173 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.804 -4.223 -5.355 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.094 -3.269 -6.095 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.845 -2.794 -3.118 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.780 -2.476 -4.855 1.00 0.00 H new ATOM 309 N PRO A 21 4.837 -1.987 0.294 1.00 0.00 N ATOM 310 CA PRO A 21 4.367 -0.626 0.062 1.00 0.00 C ATOM 311 C PRO A 21 4.714 -0.120 -1.345 1.00 0.00 C ATOM 312 O PRO A 21 5.505 -0.721 -2.069 1.00 0.00 O ATOM 313 CB PRO A 21 5.032 0.218 1.156 1.00 0.00 C ATOM 314 CG PRO A 21 6.351 -0.512 1.396 1.00 0.00 C ATOM 315 CD PRO A 21 5.978 -1.980 1.200 1.00 0.00 C ATOM 0 HA PRO A 21 3.280 -0.567 0.111 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.193 1.246 0.831 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.424 0.260 2.059 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.121 -0.195 0.692 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.738 -0.325 2.398 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.813 -2.542 0.781 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.724 -2.448 2.151 1.00 0.00 H new ATOM 323 N LYS A 22 4.119 1.017 -1.720 1.00 0.00 N ATOM 324 CA LYS A 22 4.392 1.787 -2.943 1.00 0.00 C ATOM 325 C LYS A 22 4.076 3.274 -2.722 1.00 0.00 C ATOM 326 O LYS A 22 3.282 3.610 -1.837 1.00 0.00 O ATOM 327 CB LYS A 22 3.633 1.194 -4.151 1.00 0.00 C ATOM 328 CG LYS A 22 2.179 0.742 -3.885 1.00 0.00 C ATOM 329 CD LYS A 22 2.121 -0.782 -3.676 1.00 0.00 C ATOM 330 CE LYS A 22 0.826 -1.268 -3.028 1.00 0.00 C ATOM 331 NZ LYS A 22 0.942 -2.714 -2.760 1.00 0.00 N ATOM 0 H LYS A 22 3.394 1.451 -1.149 1.00 0.00 H new ATOM 0 HA LYS A 22 5.454 1.714 -3.176 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.621 1.938 -4.947 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.196 0.338 -4.523 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.788 1.251 -3.004 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.544 1.025 -4.725 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.241 -1.276 -4.640 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.963 -1.086 -3.055 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.642 -0.726 -2.101 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.021 -1.073 -3.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.047 -3.067 -2.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.151 -3.216 -3.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.710 -2.880 -2.079 1.00 0.00 H new ATOM 345 N CYS A 23 4.671 4.157 -3.534 1.00 0.00 N ATOM 346 CA CYS A 23 4.672 5.614 -3.333 1.00 0.00 C ATOM 347 C CYS A 23 4.219 6.390 -4.576 1.00 0.00 C ATOM 348 O CYS A 23 4.347 5.915 -5.703 1.00 0.00 O ATOM 349 CB CYS A 23 6.082 6.066 -2.906 1.00 0.00 C ATOM 350 SG CYS A 23 6.965 4.981 -1.751 1.00 0.00 S ATOM 0 H CYS A 23 5.179 3.872 -4.371 1.00 0.00 H new ATOM 0 HA CYS A 23 3.948 5.838 -2.549 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.691 6.177 -3.803 1.00 0.00 H new ATOM 0 HB3 CYS A 23 6.001 7.054 -2.452 1.00 0.00 H new ATOM 355 N ASP A 24 3.677 7.590 -4.356 1.00 0.00 N ATOM 356 CA ASP A 24 3.160 8.488 -5.383 1.00 0.00 C ATOM 357 C ASP A 24 4.236 9.421 -5.974 1.00 0.00 C ATOM 358 O ASP A 24 5.389 9.430 -5.544 1.00 0.00 O ATOM 359 CB ASP A 24 1.926 9.247 -4.843 1.00 0.00 C ATOM 360 CG ASP A 24 2.176 10.173 -3.648 1.00 0.00 C ATOM 361 OD1 ASP A 24 3.314 10.679 -3.515 1.00 0.00 O ATOM 362 OD2 ASP A 24 1.203 10.400 -2.894 1.00 0.00 O ATOM 0 H ASP A 24 3.584 7.976 -3.416 1.00 0.00 H new ATOM 0 HA ASP A 24 2.839 7.881 -6.229 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.505 9.840 -5.655 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.170 8.515 -4.558 1.00 0.00 H new ATOM 367 N GLU A 25 3.847 10.257 -6.945 1.00 0.00 N ATOM 368 CA GLU A 25 4.730 11.227 -7.609 1.00 0.00 C ATOM 369 C GLU A 25 5.301 12.311 -6.674 1.00 0.00 C ATOM 370 O GLU A 25 6.245 13.001 -7.044 1.00 0.00 O ATOM 371 CB GLU A 25 4.039 11.848 -8.841 1.00 0.00 C ATOM 372 CG GLU A 25 2.976 12.942 -8.590 1.00 0.00 C ATOM 373 CD GLU A 25 1.620 12.468 -8.052 1.00 0.00 C ATOM 374 OE1 GLU A 25 1.423 11.239 -7.906 1.00 0.00 O ATOM 375 OE2 GLU A 25 0.781 13.359 -7.798 1.00 0.00 O ATOM 0 H GLU A 25 2.891 10.279 -7.299 1.00 0.00 H new ATOM 0 HA GLU A 25 5.597 10.656 -7.941 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.812 12.272 -9.482 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.566 11.042 -9.402 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.389 13.664 -7.885 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.805 13.473 -9.527 1.00 0.00 H new ATOM 382 N ASN A 26 4.758 12.432 -5.458 1.00 0.00 N ATOM 383 CA ASN A 26 5.239 13.295 -4.381 1.00 0.00 C ATOM 384 C ASN A 26 6.070 12.508 -3.341 1.00 0.00 C ATOM 385 O ASN A 26 6.301 13.002 -2.236 1.00 0.00 O ATOM 386 CB ASN A 26 4.027 14.020 -3.766 1.00 0.00 C ATOM 387 CG ASN A 26 3.373 14.963 -4.765 1.00 0.00 C ATOM 388 OD1 ASN A 26 3.918 15.997 -5.111 1.00 0.00 O ATOM 389 ND2 ASN A 26 2.195 14.649 -5.265 1.00 0.00 N ATOM 0 H ASN A 26 3.929 11.903 -5.188 1.00 0.00 H new ATOM 0 HA ASN A 26 5.926 14.042 -4.779 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.297 13.286 -3.426 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.346 14.582 -2.888 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.745 15.270 -5.937 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.734 13.785 -4.980 1.00 0.00 H new ATOM 396 N GLY A 27 6.477 11.266 -3.648 1.00 0.00 N ATOM 397 CA GLY A 27 7.294 10.397 -2.791 1.00 0.00 C ATOM 398 C GLY A 27 6.603 9.935 -1.502 1.00 0.00 C ATOM 399 O GLY A 27 7.227 9.268 -0.677 1.00 0.00 O ATOM 0 H GLY A 27 6.236 10.824 -4.535 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.589 9.518 -3.364 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.209 10.927 -2.527 1.00 0.00 H new ATOM 403 N ASN A 28 5.332 10.288 -1.321 1.00 0.00 N ATOM 404 CA ASN A 28 4.490 9.912 -0.194 1.00 0.00 C ATOM 405 C ASN A 28 3.859 8.545 -0.489 1.00 0.00 C ATOM 406 O ASN A 28 3.887 8.095 -1.637 1.00 0.00 O ATOM 407 CB ASN A 28 3.436 11.018 -0.013 1.00 0.00 C ATOM 408 CG ASN A 28 3.962 12.228 0.750 1.00 0.00 C ATOM 409 OD1 ASN A 28 3.534 12.509 1.857 1.00 0.00 O ATOM 410 ND2 ASN A 28 4.891 12.992 0.206 1.00 0.00 N ATOM 0 H ASN A 28 4.839 10.875 -1.994 1.00 0.00 H new ATOM 0 HA ASN A 28 5.056 9.818 0.733 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.084 11.339 -0.993 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.576 10.608 0.516 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.242 13.806 0.711 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.258 12.768 -0.719 1.00 0.00 H new ATOM 417 N TYR A 29 3.278 7.875 0.512 1.00 0.00 N ATOM 418 CA TYR A 29 2.629 6.579 0.286 1.00 0.00 C ATOM 419 C TYR A 29 1.513 6.732 -0.749 1.00 0.00 C ATOM 420 O TYR A 29 0.696 7.645 -0.631 1.00 0.00 O ATOM 421 CB TYR A 29 2.093 5.990 1.596 1.00 0.00 C ATOM 422 CG TYR A 29 3.169 5.529 2.563 1.00 0.00 C ATOM 423 CD1 TYR A 29 3.774 6.454 3.435 1.00 0.00 C ATOM 424 CD2 TYR A 29 3.558 4.173 2.605 1.00 0.00 C ATOM 425 CE1 TYR A 29 4.738 6.031 4.363 1.00 0.00 C ATOM 426 CE2 TYR A 29 4.532 3.743 3.529 1.00 0.00 C ATOM 427 CZ TYR A 29 5.114 4.676 4.418 1.00 0.00 C ATOM 428 OH TYR A 29 6.045 4.290 5.328 1.00 0.00 O ATOM 0 H TYR A 29 3.244 8.204 1.477 1.00 0.00 H new ATOM 0 HA TYR A 29 3.371 5.881 -0.101 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.474 6.739 2.090 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.446 5.145 1.362 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.494 7.496 3.389 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.108 3.463 1.927 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.191 6.745 5.035 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.832 2.706 3.558 1.00 0.00 H new ATOM 0 HH TYR A 29 6.035 3.314 5.412 1.00 0.00 H new ATOM 438 N LEU A 30 1.490 5.852 -1.763 1.00 0.00 N ATOM 439 CA LEU A 30 0.402 5.810 -2.739 1.00 0.00 C ATOM 440 C LEU A 30 -0.934 5.717 -1.988 1.00 0.00 C ATOM 441 O LEU A 30 -1.097 4.754 -1.239 1.00 0.00 O ATOM 442 CB LEU A 30 0.555 4.650 -3.752 1.00 0.00 C ATOM 443 CG LEU A 30 0.938 5.126 -5.162 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.448 3.970 -6.019 1.00 0.00 C ATOM 445 CD2 LEU A 30 -0.259 5.757 -5.870 1.00 0.00 C ATOM 0 H LEU A 30 2.220 5.158 -1.924 1.00 0.00 H new ATOM 0 HA LEU A 30 0.434 6.727 -3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.315 3.958 -3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.382 4.096 -3.804 1.00 0.00 H new ATOM 0 HG LEU A 30 1.729 5.866 -5.040 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.710 4.340 -7.010 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.329 3.531 -5.551 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.669 3.213 -6.109 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.039 6.085 -6.866 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.060 5.023 -5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.611 6.614 -5.296 1.00 0.00 H new ATOM 457 N PRO A 31 -1.872 6.671 -2.136 1.00 0.00 N ATOM 458 CA PRO A 31 -3.130 6.699 -1.386 1.00 0.00 C ATOM 459 C PRO A 31 -4.003 5.443 -1.450 1.00 0.00 C ATOM 460 O PRO A 31 -4.954 5.355 -0.685 1.00 0.00 O ATOM 461 CB PRO A 31 -3.875 7.944 -1.861 1.00 0.00 C ATOM 462 CG PRO A 31 -2.702 8.873 -2.139 1.00 0.00 C ATOM 463 CD PRO A 31 -1.691 7.951 -2.800 1.00 0.00 C ATOM 0 HA PRO A 31 -2.885 6.728 -0.324 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.475 7.755 -2.751 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.548 8.341 -1.101 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.985 9.698 -2.793 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.309 9.314 -1.223 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.870 7.870 -3.872 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.674 8.323 -2.674 1.00 0.00 H new ATOM 471 N LEU A 32 -3.679 4.475 -2.314 1.00 0.00 N ATOM 472 CA LEU A 32 -4.218 3.121 -2.362 1.00 0.00 C ATOM 473 C LEU A 32 -3.053 2.157 -2.081 1.00 0.00 C ATOM 474 O LEU A 32 -2.051 2.183 -2.797 1.00 0.00 O ATOM 475 CB LEU A 32 -4.832 2.868 -3.751 1.00 0.00 C ATOM 476 CG LEU A 32 -5.436 1.458 -3.897 1.00 0.00 C ATOM 477 CD1 LEU A 32 -6.776 1.322 -3.183 1.00 0.00 C ATOM 478 CD2 LEU A 32 -5.656 1.136 -5.376 1.00 0.00 C ATOM 0 H LEU A 32 -2.986 4.632 -3.046 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.004 2.973 -1.621 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.608 3.610 -3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.064 3.009 -4.512 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.727 0.766 -3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.158 0.310 -3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.644 1.522 -2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.485 2.036 -3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.083 0.138 -5.471 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.339 1.866 -5.810 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.702 1.174 -5.902 1.00 0.00 H new ATOM 490 N GLN A 33 -3.186 1.295 -1.068 1.00 0.00 N ATOM 491 CA GLN A 33 -2.220 0.232 -0.769 1.00 0.00 C ATOM 492 C GLN A 33 -2.931 -1.125 -0.799 1.00 0.00 C ATOM 493 O GLN A 33 -4.094 -1.236 -0.410 1.00 0.00 O ATOM 494 CB GLN A 33 -1.566 0.464 0.603 1.00 0.00 C ATOM 495 CG GLN A 33 -0.733 1.749 0.726 1.00 0.00 C ATOM 496 CD GLN A 33 0.560 1.775 -0.090 1.00 0.00 C ATOM 497 OE1 GLN A 33 1.401 0.892 -0.024 1.00 0.00 O ATOM 498 NE2 GLN A 33 0.797 2.836 -0.829 1.00 0.00 N ATOM 0 H GLN A 33 -3.977 1.316 -0.424 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.434 0.243 -1.524 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.349 0.485 1.361 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.925 -0.388 0.830 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.352 2.593 0.421 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.483 1.900 1.776 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.102 3.580 -0.891 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.676 2.916 -1.340 1.00 0.00 H new ATOM 507 N CYS A 34 -2.221 -2.160 -1.257 1.00 0.00 N ATOM 508 CA CYS A 34 -2.780 -3.492 -1.483 1.00 0.00 C ATOM 509 C CYS A 34 -1.856 -4.603 -0.976 1.00 0.00 C ATOM 510 O CYS A 34 -0.701 -4.703 -1.390 1.00 0.00 O ATOM 511 CB CYS A 34 -3.069 -3.686 -2.977 1.00 0.00 C ATOM 512 SG CYS A 34 -4.292 -2.574 -3.722 1.00 0.00 S ATOM 0 H CYS A 34 -1.229 -2.093 -1.484 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.708 -3.561 -0.915 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.132 -3.575 -3.522 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.406 -4.712 -3.128 1.00 0.00 H new ATOM 517 N TYR A 35 -2.387 -5.494 -0.135 1.00 0.00 N ATOM 518 CA TYR A 35 -1.743 -6.741 0.276 1.00 0.00 C ATOM 519 C TYR A 35 -2.044 -7.776 -0.819 1.00 0.00 C ATOM 520 O TYR A 35 -2.820 -8.716 -0.643 1.00 0.00 O ATOM 521 CB TYR A 35 -2.219 -7.098 1.697 1.00 0.00 C ATOM 522 CG TYR A 35 -1.600 -8.281 2.433 1.00 0.00 C ATOM 523 CD1 TYR A 35 -0.721 -9.194 1.813 1.00 0.00 C ATOM 524 CD2 TYR A 35 -1.938 -8.469 3.791 1.00 0.00 C ATOM 525 CE1 TYR A 35 -0.233 -10.299 2.533 1.00 0.00 C ATOM 526 CE2 TYR A 35 -1.431 -9.565 4.517 1.00 0.00 C ATOM 527 CZ TYR A 35 -0.578 -10.493 3.884 1.00 0.00 C ATOM 528 OH TYR A 35 -0.084 -11.561 4.570 1.00 0.00 O ATOM 0 H TYR A 35 -3.305 -5.362 0.291 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.658 -6.681 0.358 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.072 -6.216 2.320 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.293 -7.275 1.644 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.423 -9.044 0.786 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.594 -7.764 4.280 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.416 -11.009 2.042 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.695 -9.694 5.556 1.00 0.00 H new ATOM 0 HH TYR A 35 0.801 -11.793 4.220 1.00 0.00 H new ATOM 538 N GLY A 36 -1.412 -7.561 -1.982 1.00 0.00 N ATOM 539 CA GLY A 36 -1.665 -8.277 -3.237 1.00 0.00 C ATOM 540 C GLY A 36 -1.656 -9.801 -3.103 1.00 0.00 C ATOM 541 O GLY A 36 -2.492 -10.461 -3.712 1.00 0.00 O ATOM 0 H GLY A 36 -0.682 -6.855 -2.076 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.631 -7.964 -3.632 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.912 -7.983 -3.968 1.00 0.00 H new ATOM 545 N SER A 37 -0.785 -10.345 -2.241 1.00 0.00 N ATOM 546 CA SER A 37 -0.702 -11.771 -1.900 1.00 0.00 C ATOM 547 C SER A 37 -2.027 -12.400 -1.436 1.00 0.00 C ATOM 548 O SER A 37 -2.174 -13.614 -1.544 1.00 0.00 O ATOM 549 CB SER A 37 0.322 -11.973 -0.783 1.00 0.00 C ATOM 550 OG SER A 37 1.608 -11.487 -1.126 1.00 0.00 O ATOM 0 H SER A 37 -0.094 -9.783 -1.744 1.00 0.00 H new ATOM 0 HA SER A 37 -0.415 -12.269 -2.826 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.025 -11.467 0.118 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.391 -13.035 -0.546 1.00 0.00 H new ATOM 0 HG SER A 37 1.728 -10.588 -0.755 1.00 0.00 H new ATOM 556 N ILE A 38 -2.984 -11.604 -0.934 1.00 0.00 N ATOM 557 CA ILE A 38 -4.331 -12.026 -0.547 1.00 0.00 C ATOM 558 C ILE A 38 -5.438 -11.250 -1.291 1.00 0.00 C ATOM 559 O ILE A 38 -6.617 -11.463 -1.024 1.00 0.00 O ATOM 560 CB ILE A 38 -4.489 -11.938 0.986 1.00 0.00 C ATOM 561 CG1 ILE A 38 -4.265 -10.512 1.533 1.00 0.00 C ATOM 562 CG2 ILE A 38 -3.571 -12.956 1.687 1.00 0.00 C ATOM 563 CD1 ILE A 38 -4.740 -10.318 2.978 1.00 0.00 C ATOM 0 H ILE A 38 -2.829 -10.607 -0.782 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.454 -13.066 -0.849 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.525 -12.190 1.211 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.203 -10.274 1.475 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.786 -9.801 0.891 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.698 -12.877 2.767 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.831 -13.964 1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.533 -12.749 1.428 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.548 -9.291 3.289 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.809 -10.522 3.040 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.201 -11.002 3.633 1.00 0.00 H new ATOM 575 N GLY A 39 -5.079 -10.345 -2.212 1.00 0.00 N ATOM 576 CA GLY A 39 -6.004 -9.582 -3.058 1.00 0.00 C ATOM 577 C GLY A 39 -6.689 -8.386 -2.381 1.00 0.00 C ATOM 578 O GLY A 39 -7.487 -7.708 -3.022 1.00 0.00 O ATOM 0 H GLY A 39 -4.102 -10.117 -2.394 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.457 -9.220 -3.928 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.775 -10.259 -3.425 1.00 0.00 H new ATOM 582 N TYR A 40 -6.395 -8.115 -1.105 1.00 0.00 N ATOM 583 CA TYR A 40 -7.027 -7.022 -0.357 1.00 0.00 C ATOM 584 C TYR A 40 -6.331 -5.678 -0.592 1.00 0.00 C ATOM 585 O TYR A 40 -5.104 -5.617 -0.690 1.00 0.00 O ATOM 586 CB TYR A 40 -7.043 -7.333 1.147 1.00 0.00 C ATOM 587 CG TYR A 40 -8.156 -8.268 1.574 1.00 0.00 C ATOM 588 CD1 TYR A 40 -8.018 -9.662 1.439 1.00 0.00 C ATOM 589 CD2 TYR A 40 -9.342 -7.733 2.108 1.00 0.00 C ATOM 590 CE1 TYR A 40 -9.047 -10.526 1.855 1.00 0.00 C ATOM 591 CE2 TYR A 40 -10.379 -8.589 2.514 1.00 0.00 C ATOM 592 CZ TYR A 40 -10.232 -9.988 2.405 1.00 0.00 C ATOM 593 OH TYR A 40 -11.235 -10.820 2.807 1.00 0.00 O ATOM 0 H TYR A 40 -5.714 -8.646 -0.562 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.049 -6.940 -0.726 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -6.086 -7.774 1.426 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.137 -6.398 1.699 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.114 -10.072 1.012 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -9.455 -6.663 2.206 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -8.932 -11.595 1.755 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -11.293 -8.174 2.912 1.00 0.00 H new ATOM 0 HH TYR A 40 -11.195 -10.934 3.779 1.00 0.00 H new ATOM 603 N CYS A 41 -7.110 -4.590 -0.568 1.00 0.00 N ATOM 604 CA CYS A 41 -6.618 -3.213 -0.561 1.00 0.00 C ATOM 605 C CYS A 41 -7.330 -2.352 0.485 1.00 0.00 C ATOM 606 O CYS A 41 -8.406 -2.695 0.974 1.00 0.00 O ATOM 607 CB CYS A 41 -6.784 -2.560 -1.942 1.00 0.00 C ATOM 608 SG CYS A 41 -6.104 -3.447 -3.368 1.00 0.00 S ATOM 0 H CYS A 41 -8.128 -4.648 -0.553 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.560 -3.266 -0.305 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.849 -2.407 -2.117 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.321 -1.574 -1.906 1.00 0.00 H new ATOM 613 N TRP A 42 -6.722 -1.209 0.792 1.00 0.00 N ATOM 614 CA TRP A 42 -7.276 -0.114 1.584 1.00 0.00 C ATOM 615 C TRP A 42 -6.714 1.207 1.043 1.00 0.00 C ATOM 616 O TRP A 42 -5.681 1.226 0.365 1.00 0.00 O ATOM 617 CB TRP A 42 -6.931 -0.307 3.066 1.00 0.00 C ATOM 618 CG TRP A 42 -5.471 -0.428 3.358 1.00 0.00 C ATOM 619 CD1 TRP A 42 -4.640 0.588 3.681 1.00 0.00 C ATOM 620 CD2 TRP A 42 -4.638 -1.623 3.261 1.00 0.00 C ATOM 621 NE1 TRP A 42 -3.354 0.096 3.820 1.00 0.00 N ATOM 622 CE2 TRP A 42 -3.289 -1.249 3.522 1.00 0.00 C ATOM 623 CE3 TRP A 42 -4.883 -2.977 2.945 1.00 0.00 C ATOM 624 CZ2 TRP A 42 -2.228 -2.161 3.445 1.00 0.00 C ATOM 625 CZ3 TRP A 42 -3.829 -3.905 2.867 1.00 0.00 C ATOM 626 CH2 TRP A 42 -2.503 -3.499 3.110 1.00 0.00 C ATOM 0 H TRP A 42 -5.773 -1.011 0.476 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.363 -0.098 1.504 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.332 0.535 3.631 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.435 -1.203 3.428 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -4.933 1.619 3.810 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.553 0.659 4.107 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -5.895 -3.305 2.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.215 -1.841 3.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.038 -4.935 2.619 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -1.697 -4.215 3.039 1.00 0.00 H new ATOM 637 N CYS A 43 -7.362 2.326 1.371 1.00 0.00 N ATOM 638 CA CYS A 43 -6.768 3.632 1.103 1.00 0.00 C ATOM 639 C CYS A 43 -5.865 4.004 2.282 1.00 0.00 C ATOM 640 O CYS A 43 -6.139 3.623 3.423 1.00 0.00 O ATOM 641 CB CYS A 43 -7.822 4.732 0.916 1.00 0.00 C ATOM 642 SG CYS A 43 -8.931 4.623 -0.509 1.00 0.00 S ATOM 0 H CYS A 43 -8.280 2.354 1.814 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.205 3.559 0.173 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.438 4.759 1.815 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.300 5.687 0.859 1.00 0.00 H new ATOM 647 N VAL A 44 -4.846 4.825 2.039 1.00 0.00 N ATOM 648 CA VAL A 44 -4.016 5.448 3.074 1.00 0.00 C ATOM 649 C VAL A 44 -3.948 6.958 2.858 1.00 0.00 C ATOM 650 O VAL A 44 -4.079 7.447 1.736 1.00 0.00 O ATOM 651 CB VAL A 44 -2.581 4.875 3.121 1.00 0.00 C ATOM 652 CG1 VAL A 44 -2.563 3.380 3.450 1.00 0.00 C ATOM 653 CG2 VAL A 44 -1.792 5.100 1.827 1.00 0.00 C ATOM 0 H VAL A 44 -4.565 5.084 1.093 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.491 5.222 4.029 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.094 5.432 3.922 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.533 3.025 3.471 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.024 3.216 4.424 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.120 2.833 2.689 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.794 4.673 1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.309 4.618 0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.710 6.169 1.632 1.00 0.00 H new ATOM 663 N PHE A 45 -3.724 7.700 3.938 1.00 0.00 N ATOM 664 CA PHE A 45 -3.349 9.106 3.855 1.00 0.00 C ATOM 665 C PHE A 45 -1.870 9.157 3.393 1.00 0.00 C ATOM 666 O PHE A 45 -1.158 8.158 3.535 1.00 0.00 O ATOM 667 CB PHE A 45 -3.567 9.757 5.229 1.00 0.00 C ATOM 668 CG PHE A 45 -5.009 9.731 5.714 1.00 0.00 C ATOM 669 CD1 PHE A 45 -5.969 10.584 5.134 1.00 0.00 C ATOM 670 CD2 PHE A 45 -5.397 8.852 6.744 1.00 0.00 C ATOM 671 CE1 PHE A 45 -7.301 10.560 5.587 1.00 0.00 C ATOM 672 CE2 PHE A 45 -6.729 8.822 7.193 1.00 0.00 C ATOM 673 CZ PHE A 45 -7.682 9.680 6.617 1.00 0.00 C ATOM 0 H PHE A 45 -3.797 7.345 4.891 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.956 9.662 3.140 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.940 9.249 5.962 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.230 10.793 5.185 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.682 11.258 4.340 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.666 8.196 7.192 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -8.033 11.219 5.143 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.020 8.141 7.979 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.705 9.664 6.964 1.00 0.00 H new ATOM 683 N PRO A 46 -1.357 10.284 2.858 1.00 0.00 N ATOM 684 CA PRO A 46 0.000 10.369 2.292 1.00 0.00 C ATOM 685 C PRO A 46 1.145 9.881 3.206 1.00 0.00 C ATOM 686 O PRO A 46 2.177 9.423 2.713 1.00 0.00 O ATOM 687 CB PRO A 46 0.175 11.843 1.910 1.00 0.00 C ATOM 688 CG PRO A 46 -1.247 12.295 1.592 1.00 0.00 C ATOM 689 CD PRO A 46 -2.088 11.518 2.602 1.00 0.00 C ATOM 0 HA PRO A 46 0.076 9.685 1.447 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.608 12.421 2.726 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.836 11.960 1.051 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.365 13.372 1.712 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.526 12.057 0.566 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.224 12.090 3.520 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.082 11.309 2.206 1.00 0.00 H new ATOM 697 N ASN A 47 0.954 9.924 4.532 1.00 0.00 N ATOM 698 CA ASN A 47 1.874 9.425 5.549 1.00 0.00 C ATOM 699 C ASN A 47 1.893 7.887 5.710 1.00 0.00 C ATOM 700 O ASN A 47 2.743 7.379 6.437 1.00 0.00 O ATOM 701 CB ASN A 47 1.519 10.090 6.893 1.00 0.00 C ATOM 702 CG ASN A 47 0.351 9.393 7.582 1.00 0.00 C ATOM 703 OD1 ASN A 47 -0.640 9.041 6.960 1.00 0.00 O ATOM 704 ND2 ASN A 47 0.464 9.113 8.862 1.00 0.00 N ATOM 0 H ASN A 47 0.111 10.329 4.938 1.00 0.00 H new ATOM 0 HA ASN A 47 2.879 9.687 5.218 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.390 10.072 7.548 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.268 11.137 6.725 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.277 8.600 9.339 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.293 9.409 9.377 1.00 0.00 H new ATOM 711 N GLY A 48 0.954 7.159 5.087 1.00 0.00 N ATOM 712 CA GLY A 48 0.814 5.702 5.164 1.00 0.00 C ATOM 713 C GLY A 48 -0.255 5.194 6.142 1.00 0.00 C ATOM 714 O GLY A 48 -0.457 3.983 6.222 1.00 0.00 O ATOM 0 H GLY A 48 0.245 7.589 4.493 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.581 5.323 4.169 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.776 5.276 5.450 1.00 0.00 H new ATOM 718 N THR A 49 -0.957 6.068 6.878 1.00 0.00 N ATOM 719 CA THR A 49 -2.032 5.668 7.803 1.00 0.00 C ATOM 720 C THR A 49 -3.283 5.290 7.009 1.00 0.00 C ATOM 721 O THR A 49 -3.734 6.078 6.183 1.00 0.00 O ATOM 722 CB THR A 49 -2.360 6.803 8.791 1.00 0.00 C ATOM 723 OG1 THR A 49 -1.248 7.046 9.627 1.00 0.00 O ATOM 724 CG2 THR A 49 -3.523 6.479 9.731 1.00 0.00 C ATOM 0 H THR A 49 -0.796 7.075 6.850 1.00 0.00 H new ATOM 0 HA THR A 49 -1.690 4.806 8.376 1.00 0.00 H new ATOM 0 HB THR A 49 -2.625 7.658 8.169 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.542 7.518 10.434 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.698 7.323 10.398 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.422 6.288 9.145 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.279 5.595 10.320 1.00 0.00 H new ATOM 732 N GLU A 50 -3.858 4.108 7.258 1.00 0.00 N ATOM 733 CA GLU A 50 -5.095 3.662 6.606 1.00 0.00 C ATOM 734 C GLU A 50 -6.275 4.628 6.823 1.00 0.00 C ATOM 735 O GLU A 50 -6.502 5.114 7.930 1.00 0.00 O ATOM 736 CB GLU A 50 -5.446 2.236 7.078 1.00 0.00 C ATOM 737 CG GLU A 50 -6.765 1.722 6.466 1.00 0.00 C ATOM 738 CD GLU A 50 -7.081 0.251 6.750 1.00 0.00 C ATOM 739 OE1 GLU A 50 -6.127 -0.540 6.922 1.00 0.00 O ATOM 740 OE2 GLU A 50 -8.293 -0.060 6.776 1.00 0.00 O ATOM 0 H GLU A 50 -3.477 3.431 7.920 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.913 3.654 5.531 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.636 1.558 6.810 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.525 2.225 8.165 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.585 2.333 6.843 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.728 1.868 5.386 1.00 0.00 H new ATOM 747 N VAL A 51 -7.067 4.833 5.764 1.00 0.00 N ATOM 748 CA VAL A 51 -8.363 5.517 5.802 1.00 0.00 C ATOM 749 C VAL A 51 -9.400 4.463 6.234 1.00 0.00 C ATOM 750 O VAL A 51 -9.619 3.504 5.476 1.00 0.00 O ATOM 751 CB VAL A 51 -8.744 6.105 4.431 1.00 0.00 C ATOM 752 CG1 VAL A 51 -10.040 6.919 4.533 1.00 0.00 C ATOM 753 CG2 VAL A 51 -7.650 7.012 3.849 1.00 0.00 C ATOM 0 H VAL A 51 -6.815 4.517 4.828 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.323 6.356 6.496 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.876 5.253 3.765 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.292 7.326 3.554 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.849 6.274 4.877 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.902 7.736 5.241 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.973 7.398 2.882 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.467 7.844 4.529 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.732 6.439 3.722 1.00 0.00 H new ATOM 763 N PRO A 52 -9.987 4.572 7.447 1.00 0.00 N ATOM 764 CA PRO A 52 -10.830 3.535 8.041 1.00 0.00 C ATOM 765 C PRO A 52 -11.933 3.005 7.123 1.00 0.00 C ATOM 766 O PRO A 52 -12.477 3.732 6.292 1.00 0.00 O ATOM 767 CB PRO A 52 -11.430 4.158 9.305 1.00 0.00 C ATOM 768 CG PRO A 52 -10.364 5.159 9.731 1.00 0.00 C ATOM 769 CD PRO A 52 -9.826 5.670 8.396 1.00 0.00 C ATOM 0 HA PRO A 52 -10.218 2.657 8.248 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.383 4.645 9.101 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.613 3.410 10.076 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.784 5.965 10.333 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.583 4.688 10.328 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.374 6.553 8.067 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.779 5.959 8.483 1.00 0.00 H new ATOM 777 N ASN A 53 -12.274 1.725 7.310 1.00 0.00 N ATOM 778 CA ASN A 53 -13.346 1.005 6.614 1.00 0.00 C ATOM 779 C ASN A 53 -13.204 0.928 5.078 1.00 0.00 C ATOM 780 O ASN A 53 -14.098 0.390 4.429 1.00 0.00 O ATOM 781 CB ASN A 53 -14.716 1.552 7.070 1.00 0.00 C ATOM 782 CG ASN A 53 -14.929 1.409 8.570 1.00 0.00 C ATOM 783 OD1 ASN A 53 -14.473 2.210 9.370 1.00 0.00 O ATOM 784 ND2 ASN A 53 -15.616 0.370 9.000 1.00 0.00 N ATOM 0 H ASN A 53 -11.786 1.135 7.984 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.261 -0.041 6.910 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.794 2.603 6.793 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.509 1.023 6.541 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -15.766 0.236 10.000 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.998 -0.300 8.333 1.00 0.00 H new ATOM 791 N THR A 54 -12.087 1.381 4.484 1.00 0.00 N ATOM 792 CA THR A 54 -11.820 1.184 3.050 1.00 0.00 C ATOM 793 C THR A 54 -11.424 -0.257 2.752 1.00 0.00 C ATOM 794 O THR A 54 -11.682 -0.727 1.645 1.00 0.00 O ATOM 795 CB THR A 54 -10.742 2.134 2.501 1.00 0.00 C ATOM 796 OG1 THR A 54 -9.554 2.098 3.274 1.00 0.00 O ATOM 797 CG2 THR A 54 -11.268 3.571 2.480 1.00 0.00 C ATOM 0 H THR A 54 -11.352 1.888 4.977 1.00 0.00 H new ATOM 0 HA THR A 54 -12.756 1.417 2.543 1.00 0.00 H new ATOM 0 HB THR A 54 -10.507 1.798 1.491 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.527 2.876 3.869 1.00 0.00 H new ATOM 0 HG21 THR A 54 -10.497 4.235 2.090 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.151 3.626 1.843 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.532 3.877 3.492 1.00 0.00 H new ATOM 805 N ARG A 55 -10.859 -0.970 3.742 1.00 0.00 N ATOM 806 CA ARG A 55 -10.368 -2.345 3.650 1.00 0.00 C ATOM 807 C ARG A 55 -11.344 -3.233 2.858 1.00 0.00 C ATOM 808 O ARG A 55 -12.450 -3.519 3.323 1.00 0.00 O ATOM 809 CB ARG A 55 -10.027 -2.874 5.060 1.00 0.00 C ATOM 810 CG ARG A 55 -9.392 -4.286 5.082 1.00 0.00 C ATOM 811 CD ARG A 55 -10.276 -5.366 5.736 1.00 0.00 C ATOM 812 NE ARG A 55 -11.579 -5.421 5.073 1.00 0.00 N ATOM 813 CZ ARG A 55 -12.351 -6.442 4.759 1.00 0.00 C ATOM 814 NH1 ARG A 55 -12.175 -7.654 5.220 1.00 0.00 N ATOM 815 NH2 ARG A 55 -13.331 -6.222 3.918 1.00 0.00 N ATOM 0 H ARG A 55 -10.728 -0.577 4.674 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.440 -2.370 3.078 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.343 -2.175 5.541 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.938 -2.890 5.658 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.167 -4.587 4.059 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.443 -4.237 5.616 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.785 -6.337 5.671 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.408 -5.146 6.795 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.955 -4.511 4.808 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.405 -7.849 5.860 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.808 -8.403 4.939 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.473 -5.288 3.533 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.952 -6.985 3.648 1.00 0.00 H new ATOM 829 N SER A 56 -10.951 -3.632 1.648 1.00 0.00 N ATOM 830 CA SER A 56 -11.801 -4.325 0.676 1.00 0.00 C ATOM 831 C SER A 56 -11.023 -5.392 -0.094 1.00 0.00 C ATOM 832 O SER A 56 -9.798 -5.366 -0.155 1.00 0.00 O ATOM 833 CB SER A 56 -12.378 -3.324 -0.339 1.00 0.00 C ATOM 834 OG SER A 56 -13.140 -2.303 0.268 1.00 0.00 O ATOM 0 H SER A 56 -10.003 -3.478 1.305 1.00 0.00 H new ATOM 0 HA SER A 56 -12.603 -4.803 1.238 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.561 -2.874 -0.903 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.002 -3.859 -1.055 1.00 0.00 H new ATOM 0 HG SER A 56 -12.608 -1.870 0.968 1.00 0.00 H new ATOM 840 N ARG A 57 -11.762 -6.284 -0.764 1.00 0.00 N ATOM 841 CA ARG A 57 -11.294 -7.387 -1.617 1.00 0.00 C ATOM 842 C ARG A 57 -10.841 -6.916 -3.016 1.00 0.00 C ATOM 843 O ARG A 57 -10.749 -7.706 -3.951 1.00 0.00 O ATOM 844 CB ARG A 57 -12.412 -8.453 -1.696 1.00 0.00 C ATOM 845 CG ARG A 57 -12.638 -9.219 -0.379 1.00 0.00 C ATOM 846 CD ARG A 57 -13.556 -8.537 0.650 1.00 0.00 C ATOM 847 NE ARG A 57 -13.498 -9.252 1.931 1.00 0.00 N ATOM 848 CZ ARG A 57 -14.254 -9.087 3.003 1.00 0.00 C ATOM 849 NH1 ARG A 57 -15.272 -8.260 3.009 1.00 0.00 N ATOM 850 NH2 ARG A 57 -13.969 -9.759 4.095 1.00 0.00 N ATOM 0 H ARG A 57 -12.781 -6.253 -0.722 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.402 -7.823 -1.167 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.344 -7.968 -1.987 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -12.165 -9.167 -2.482 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -13.057 -10.197 -0.618 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -11.668 -9.393 0.088 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.251 -7.500 0.790 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -14.581 -8.521 0.280 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.779 -9.972 2.004 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -15.498 -7.723 2.172 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -15.838 -8.153 3.851 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.174 -10.397 4.108 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.543 -9.642 4.930 1.00 0.00 H new ATOM 864 N GLY A 58 -10.607 -5.610 -3.164 1.00 0.00 N ATOM 865 CA GLY A 58 -10.191 -4.941 -4.393 1.00 0.00 C ATOM 866 C GLY A 58 -9.963 -3.440 -4.189 1.00 0.00 C ATOM 867 O GLY A 58 -10.087 -2.930 -3.074 1.00 0.00 O ATOM 0 H GLY A 58 -10.709 -4.958 -2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.273 -5.399 -4.761 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.951 -5.090 -5.160 1.00 0.00 H new ATOM 871 N HIS A 59 -9.605 -2.753 -5.279 1.00 0.00 N ATOM 872 CA HIS A 59 -9.244 -1.331 -5.326 1.00 0.00 C ATOM 873 C HIS A 59 -10.403 -0.374 -4.976 1.00 0.00 C ATOM 874 O HIS A 59 -11.572 -0.762 -4.973 1.00 0.00 O ATOM 875 CB HIS A 59 -8.730 -1.007 -6.743 1.00 0.00 C ATOM 876 CG HIS A 59 -7.791 -2.033 -7.337 1.00 0.00 C ATOM 877 ND1 HIS A 59 -8.019 -2.756 -8.488 1.00 0.00 N ATOM 878 CD2 HIS A 59 -6.587 -2.437 -6.827 1.00 0.00 C ATOM 879 CE1 HIS A 59 -6.967 -3.577 -8.664 1.00 0.00 C ATOM 880 NE2 HIS A 59 -6.075 -3.418 -7.677 1.00 0.00 N ATOM 0 H HIS A 59 -9.557 -3.194 -6.197 1.00 0.00 H new ATOM 0 HA HIS A 59 -8.480 -1.171 -4.565 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -9.587 -0.895 -7.407 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -8.220 -0.044 -6.716 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -6.118 -2.064 -5.929 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -6.857 -4.268 -9.487 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -5.192 -3.917 -7.568 1.00 0.00 H new ATOM 888 N HIS A 60 -10.077 0.907 -4.750 1.00 0.00 N ATOM 889 CA HIS A 60 -11.039 1.998 -4.540 1.00 0.00 C ATOM 890 C HIS A 60 -10.430 3.364 -4.927 1.00 0.00 C ATOM 891 O HIS A 60 -9.220 3.499 -5.112 1.00 0.00 O ATOM 892 CB HIS A 60 -11.615 1.976 -3.103 1.00 0.00 C ATOM 893 CG HIS A 60 -10.845 1.147 -2.103 1.00 0.00 C ATOM 894 ND1 HIS A 60 -11.213 -0.079 -1.600 1.00 0.00 N ATOM 895 CD2 HIS A 60 -9.605 1.431 -1.612 1.00 0.00 C ATOM 896 CE1 HIS A 60 -10.205 -0.505 -0.820 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.204 0.379 -0.804 1.00 0.00 N ATOM 0 H HIS A 60 -9.108 1.221 -4.707 1.00 0.00 H new ATOM 0 HA HIS A 60 -11.885 1.838 -5.208 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -11.666 3.001 -2.736 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -12.638 1.602 -3.147 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -12.087 -0.572 -1.784 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -9.033 2.324 -1.818 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.204 -1.439 -0.278 1.00 0.00 H new ATOM 905 N ASN A 61 -11.284 4.386 -5.056 1.00 0.00 N ATOM 906 CA ASN A 61 -11.005 5.699 -5.629 1.00 0.00 C ATOM 907 C ASN A 61 -10.398 6.661 -4.597 1.00 0.00 C ATOM 908 O ASN A 61 -11.004 7.668 -4.231 1.00 0.00 O ATOM 909 CB ASN A 61 -12.306 6.246 -6.251 1.00 0.00 C ATOM 910 CG ASN A 61 -12.900 5.307 -7.290 1.00 0.00 C ATOM 911 OD1 ASN A 61 -13.566 4.338 -6.963 1.00 0.00 O ATOM 912 ND2 ASN A 61 -12.671 5.554 -8.564 1.00 0.00 N ATOM 0 H ASN A 61 -12.251 4.308 -4.741 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.250 5.603 -6.409 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.038 6.417 -5.461 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -12.105 7.212 -6.713 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -13.051 4.935 -9.280 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.114 6.365 -8.834 1.00 0.00 H new ATOM 919 N CYS A 62 -9.209 6.322 -4.101 1.00 0.00 N ATOM 920 CA CYS A 62 -8.552 7.081 -3.039 1.00 0.00 C ATOM 921 C CYS A 62 -8.122 8.503 -3.467 1.00 0.00 C ATOM 922 O CYS A 62 -8.007 8.810 -4.656 1.00 0.00 O ATOM 923 CB CYS A 62 -7.341 6.286 -2.539 1.00 0.00 C ATOM 924 SG CYS A 62 -7.685 4.562 -2.117 1.00 0.00 S ATOM 0 H CYS A 62 -8.675 5.515 -4.424 1.00 0.00 H new ATOM 0 HA CYS A 62 -9.281 7.220 -2.241 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.567 6.310 -3.306 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -6.934 6.786 -1.660 1.00 0.00 H new