USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 609 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -56:sc= 0.179 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0918 K(o=-0.092,f=-2!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -170:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 MET CE :methyl 139:sc= -2.78 (180deg=-6.76!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 70:sc= -1.43 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -1.08 K(o=-1.1,f=-2.8!) USER MOD Single : A 53 CYS SG : rot 180:sc= -0.17 USER MOD Single : A 58 THR OG1 : rot 76:sc= 0.499 USER MOD Single : A 62 ASN : amide:sc= -3.07 K(o=-3.1,f=-7!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 178:sc= -0.0239 (180deg=-0.0294) USER MOD Single : A 75 SER OG : rot 180:sc= -0.146 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.033 -17.909 3.797 1.00 0.00 N ATOM 2 CA GLY A 1 -11.406 -17.169 2.606 1.00 0.00 C ATOM 3 C GLY A 1 -10.832 -15.766 2.591 1.00 0.00 C ATOM 4 O GLY A 1 -9.645 -15.576 2.328 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.450 -18.861 3.759 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.997 -17.986 3.847 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.384 -17.411 4.640 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.061 -17.709 1.724 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.493 -17.114 2.542 1.00 0.00 H new ATOM 8 N SER A 2 -11.678 -14.780 2.874 1.00 0.00 N ATOM 9 CA SER A 2 -11.249 -13.386 2.887 1.00 0.00 C ATOM 10 C SER A 2 -10.921 -12.905 1.477 1.00 0.00 C ATOM 11 O SER A 2 -9.931 -12.206 1.263 1.00 0.00 O ATOM 12 CB SER A 2 -10.029 -13.214 3.794 1.00 0.00 C ATOM 13 OG SER A 2 -9.793 -11.846 4.078 1.00 0.00 O ATOM 0 H SER A 2 -12.663 -14.921 3.097 1.00 0.00 H new ATOM 0 HA SER A 2 -12.070 -12.783 3.276 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.184 -13.760 4.724 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.151 -13.646 3.313 1.00 0.00 H new ATOM 0 HG SER A 2 -9.699 -11.349 3.239 1.00 0.00 H new ATOM 19 N SER A 3 -11.759 -13.286 0.519 1.00 0.00 N ATOM 20 CA SER A 3 -11.557 -12.898 -0.872 1.00 0.00 C ATOM 21 C SER A 3 -12.846 -12.346 -1.475 1.00 0.00 C ATOM 22 O SER A 3 -13.914 -12.432 -0.870 1.00 0.00 O ATOM 23 CB SER A 3 -11.069 -14.094 -1.692 1.00 0.00 C ATOM 24 OG SER A 3 -10.320 -13.669 -2.817 1.00 0.00 O ATOM 0 H SER A 3 -12.584 -13.863 0.680 1.00 0.00 H new ATOM 0 HA SER A 3 -10.799 -12.115 -0.898 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.455 -14.742 -1.066 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.923 -14.685 -2.022 1.00 0.00 H new ATOM 0 HG SER A 3 -10.018 -14.452 -3.324 1.00 0.00 H new ATOM 30 N GLY A 4 -12.736 -11.778 -2.672 1.00 0.00 N ATOM 31 CA GLY A 4 -13.899 -11.220 -3.338 1.00 0.00 C ATOM 32 C GLY A 4 -14.067 -11.747 -4.749 1.00 0.00 C ATOM 33 O GLY A 4 -13.419 -12.718 -5.138 1.00 0.00 O ATOM 0 H GLY A 4 -11.863 -11.694 -3.192 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.792 -11.452 -2.758 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.811 -10.134 -3.367 1.00 0.00 H new ATOM 37 N SER A 5 -14.942 -11.106 -5.518 1.00 0.00 N ATOM 38 CA SER A 5 -15.199 -11.519 -6.892 1.00 0.00 C ATOM 39 C SER A 5 -14.796 -10.422 -7.873 1.00 0.00 C ATOM 40 O SER A 5 -14.501 -9.296 -7.475 1.00 0.00 O ATOM 41 CB SER A 5 -16.677 -11.866 -7.076 1.00 0.00 C ATOM 42 OG SER A 5 -17.505 -10.768 -6.734 1.00 0.00 O ATOM 0 H SER A 5 -15.485 -10.298 -5.212 1.00 0.00 H new ATOM 0 HA SER A 5 -14.598 -12.405 -7.097 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.860 -12.155 -8.111 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.932 -12.725 -6.455 1.00 0.00 H new ATOM 0 HG SER A 5 -18.445 -11.015 -6.862 1.00 0.00 H new ATOM 48 N SER A 6 -14.787 -10.761 -9.159 1.00 0.00 N ATOM 49 CA SER A 6 -14.417 -9.807 -10.198 1.00 0.00 C ATOM 50 C SER A 6 -15.652 -9.312 -10.945 1.00 0.00 C ATOM 51 O SER A 6 -16.623 -10.048 -11.119 1.00 0.00 O ATOM 52 CB SER A 6 -13.434 -10.446 -11.180 1.00 0.00 C ATOM 53 OG SER A 6 -12.101 -10.335 -10.713 1.00 0.00 O ATOM 0 H SER A 6 -15.032 -11.689 -9.506 1.00 0.00 H new ATOM 0 HA SER A 6 -13.937 -8.953 -9.719 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.687 -11.497 -11.320 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.523 -9.964 -12.154 1.00 0.00 H new ATOM 0 HG SER A 6 -11.493 -10.753 -11.358 1.00 0.00 H new ATOM 59 N GLY A 7 -15.607 -8.059 -11.387 1.00 0.00 N ATOM 60 CA GLY A 7 -16.727 -7.486 -12.110 1.00 0.00 C ATOM 61 C GLY A 7 -16.553 -6.003 -12.368 1.00 0.00 C ATOM 62 O GLY A 7 -15.960 -5.291 -11.558 1.00 0.00 O ATOM 0 H GLY A 7 -14.814 -7.430 -11.257 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.846 -8.006 -13.061 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.643 -7.648 -11.542 1.00 0.00 H new ATOM 66 N ALA A 8 -17.070 -5.535 -13.499 1.00 0.00 N ATOM 67 CA ALA A 8 -16.970 -4.127 -13.861 1.00 0.00 C ATOM 68 C ALA A 8 -17.741 -3.252 -12.878 1.00 0.00 C ATOM 69 O ALA A 8 -18.947 -3.050 -13.025 1.00 0.00 O ATOM 70 CB ALA A 8 -17.480 -3.908 -15.278 1.00 0.00 C ATOM 0 H ALA A 8 -17.563 -6.111 -14.181 1.00 0.00 H new ATOM 0 HA ALA A 8 -15.919 -3.840 -13.817 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -17.399 -2.852 -15.535 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -16.884 -4.497 -15.975 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -18.523 -4.218 -15.341 1.00 0.00 H new ATOM 76 N LEU A 9 -17.038 -2.735 -11.877 1.00 0.00 N ATOM 77 CA LEU A 9 -17.656 -1.881 -10.868 1.00 0.00 C ATOM 78 C LEU A 9 -16.854 -0.598 -10.675 1.00 0.00 C ATOM 79 O LEU A 9 -15.647 -0.569 -10.910 1.00 0.00 O ATOM 80 CB LEU A 9 -17.771 -2.629 -9.539 1.00 0.00 C ATOM 81 CG LEU A 9 -16.517 -3.372 -9.076 1.00 0.00 C ATOM 82 CD1 LEU A 9 -15.644 -2.465 -8.223 1.00 0.00 C ATOM 83 CD2 LEU A 9 -16.896 -4.629 -8.306 1.00 0.00 C ATOM 0 H LEU A 9 -16.039 -2.892 -11.742 1.00 0.00 H new ATOM 0 HA LEU A 9 -18.654 -1.615 -11.215 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -18.052 -1.914 -8.766 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -18.586 -3.348 -9.619 1.00 0.00 H new ATOM 0 HG LEU A 9 -15.947 -3.668 -9.957 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.756 -3.011 -7.903 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -15.344 -1.595 -8.807 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -16.205 -2.139 -7.347 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -15.991 -5.145 -7.984 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -17.488 -4.356 -7.433 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -17.480 -5.287 -8.949 1.00 0.00 H new ATOM 95 N GLN A 10 -17.534 0.460 -10.245 1.00 0.00 N ATOM 96 CA GLN A 10 -16.884 1.745 -10.018 1.00 0.00 C ATOM 97 C GLN A 10 -16.938 2.130 -8.544 1.00 0.00 C ATOM 98 O GLN A 10 -17.913 2.723 -8.082 1.00 0.00 O ATOM 99 CB GLN A 10 -17.548 2.832 -10.866 1.00 0.00 C ATOM 100 CG GLN A 10 -16.780 4.144 -10.882 1.00 0.00 C ATOM 101 CD GLN A 10 -17.059 4.968 -12.124 1.00 0.00 C ATOM 102 OE1 GLN A 10 -17.747 4.517 -13.040 1.00 0.00 O ATOM 103 NE2 GLN A 10 -16.525 6.183 -12.160 1.00 0.00 N ATOM 0 H GLN A 10 -18.535 0.452 -10.047 1.00 0.00 H new ATOM 0 HA GLN A 10 -15.838 1.652 -10.312 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -17.654 2.470 -11.889 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -18.554 3.014 -10.487 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -17.043 4.725 -9.998 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -15.712 3.936 -10.821 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -15.961 6.516 -11.378 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -16.678 6.784 -12.970 1.00 0.00 H new ATOM 112 N ASP A 11 -15.884 1.789 -7.810 1.00 0.00 N ATOM 113 CA ASP A 11 -15.810 2.100 -6.387 1.00 0.00 C ATOM 114 C ASP A 11 -14.368 2.355 -5.960 1.00 0.00 C ATOM 115 O ASP A 11 -13.447 1.676 -6.415 1.00 0.00 O ATOM 116 CB ASP A 11 -16.405 0.957 -5.562 1.00 0.00 C ATOM 117 CG ASP A 11 -17.761 0.517 -6.076 1.00 0.00 C ATOM 118 OD1 ASP A 11 -18.779 1.092 -5.636 1.00 0.00 O ATOM 119 OD2 ASP A 11 -17.806 -0.403 -6.920 1.00 0.00 O ATOM 0 H ASP A 11 -15.069 1.297 -8.177 1.00 0.00 H new ATOM 0 HA ASP A 11 -16.388 3.007 -6.208 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.721 0.108 -5.577 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -16.499 1.273 -4.523 1.00 0.00 H new ATOM 124 N ARG A 12 -14.180 3.338 -5.086 1.00 0.00 N ATOM 125 CA ARG A 12 -12.850 3.684 -4.600 1.00 0.00 C ATOM 126 C ARG A 12 -12.634 3.157 -3.184 1.00 0.00 C ATOM 127 O ARG A 12 -12.911 3.848 -2.203 1.00 0.00 O ATOM 128 CB ARG A 12 -12.653 5.201 -4.626 1.00 0.00 C ATOM 129 CG ARG A 12 -12.794 5.809 -6.012 1.00 0.00 C ATOM 130 CD ARG A 12 -12.682 7.325 -5.969 1.00 0.00 C ATOM 131 NE ARG A 12 -13.350 7.956 -7.104 1.00 0.00 N ATOM 132 CZ ARG A 12 -13.780 9.213 -7.099 1.00 0.00 C ATOM 133 NH1 ARG A 12 -13.612 9.970 -6.024 1.00 0.00 N ATOM 134 NH2 ARG A 12 -14.378 9.715 -8.172 1.00 0.00 N ATOM 0 H ARG A 12 -14.932 3.909 -4.700 1.00 0.00 H new ATOM 0 HA ARG A 12 -12.117 3.218 -5.259 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -13.380 5.665 -3.959 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.664 5.437 -4.234 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -12.023 5.405 -6.668 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.756 5.526 -6.439 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -13.118 7.694 -5.041 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.630 7.611 -5.963 1.00 0.00 H new ATOM 0 HE ARG A 12 -13.494 7.401 -7.947 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.152 9.588 -5.198 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.943 10.935 -6.023 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.508 9.136 -9.001 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.708 10.680 -8.167 1.00 0.00 H new ATOM 148 N THR A 13 -12.138 1.927 -3.085 1.00 0.00 N ATOM 149 CA THR A 13 -11.886 1.307 -1.791 1.00 0.00 C ATOM 150 C THR A 13 -10.747 2.006 -1.058 1.00 0.00 C ATOM 151 O THR A 13 -9.578 1.669 -1.244 1.00 0.00 O ATOM 152 CB THR A 13 -11.544 -0.188 -1.942 1.00 0.00 C ATOM 153 OG1 THR A 13 -12.620 -0.874 -2.591 1.00 0.00 O ATOM 154 CG2 THR A 13 -11.277 -0.821 -0.584 1.00 0.00 C ATOM 0 H THR A 13 -11.903 1.341 -3.886 1.00 0.00 H new ATOM 0 HA THR A 13 -12.803 1.406 -1.209 1.00 0.00 H new ATOM 0 HB THR A 13 -10.642 -0.273 -2.549 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.394 -1.823 -2.685 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.038 -1.876 -0.715 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.438 -0.315 -0.106 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.164 -0.725 0.043 1.00 0.00 H new ATOM 162 N GLN A 14 -11.097 2.980 -0.224 1.00 0.00 N ATOM 163 CA GLN A 14 -10.102 3.727 0.538 1.00 0.00 C ATOM 164 C GLN A 14 -9.701 2.969 1.799 1.00 0.00 C ATOM 165 O GLN A 14 -10.501 2.229 2.372 1.00 0.00 O ATOM 166 CB GLN A 14 -10.644 5.108 0.908 1.00 0.00 C ATOM 167 CG GLN A 14 -10.634 6.096 -0.247 1.00 0.00 C ATOM 168 CD GLN A 14 -10.736 7.536 0.215 1.00 0.00 C ATOM 169 OE1 GLN A 14 -11.833 8.082 0.346 1.00 0.00 O ATOM 170 NE2 GLN A 14 -9.592 8.160 0.465 1.00 0.00 N ATOM 0 H GLN A 14 -12.061 3.270 -0.059 1.00 0.00 H new ATOM 0 HA GLN A 14 -9.217 3.848 -0.087 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -11.665 5.002 1.275 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -10.051 5.514 1.727 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -9.717 5.967 -0.822 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -11.464 5.874 -0.917 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.706 7.669 0.343 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -9.598 9.130 0.779 1.00 0.00 H new ATOM 179 N PHE A 15 -8.457 3.159 2.227 1.00 0.00 N ATOM 180 CA PHE A 15 -7.950 2.493 3.421 1.00 0.00 C ATOM 181 C PHE A 15 -8.333 3.265 4.680 1.00 0.00 C ATOM 182 O PHE A 15 -8.185 4.486 4.741 1.00 0.00 O ATOM 183 CB PHE A 15 -6.429 2.347 3.341 1.00 0.00 C ATOM 184 CG PHE A 15 -5.982 1.108 2.618 1.00 0.00 C ATOM 185 CD1 PHE A 15 -6.152 -0.143 3.190 1.00 0.00 C ATOM 186 CD2 PHE A 15 -5.394 1.194 1.367 1.00 0.00 C ATOM 187 CE1 PHE A 15 -5.741 -1.284 2.527 1.00 0.00 C ATOM 188 CE2 PHE A 15 -4.982 0.057 0.699 1.00 0.00 C ATOM 189 CZ PHE A 15 -5.157 -1.184 1.280 1.00 0.00 C ATOM 0 H PHE A 15 -7.782 3.768 1.765 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.402 1.502 3.473 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.014 3.221 2.838 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.020 2.336 4.351 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -6.611 -0.227 4.164 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.256 2.162 0.908 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.877 -2.253 2.984 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.524 0.138 -0.276 1.00 0.00 H new ATOM 0 HZ PHE A 15 -4.837 -2.075 0.760 1.00 0.00 H new ATOM 199 N SER A 16 -8.826 2.545 5.682 1.00 0.00 N ATOM 200 CA SER A 16 -9.234 3.162 6.938 1.00 0.00 C ATOM 201 C SER A 16 -8.018 3.561 7.769 1.00 0.00 C ATOM 202 O SER A 16 -6.960 2.937 7.680 1.00 0.00 O ATOM 203 CB SER A 16 -10.120 2.204 7.738 1.00 0.00 C ATOM 204 OG SER A 16 -11.334 1.943 7.055 1.00 0.00 O ATOM 0 H SER A 16 -8.953 1.533 5.648 1.00 0.00 H new ATOM 0 HA SER A 16 -9.803 4.062 6.703 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.587 1.269 7.910 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.334 2.633 8.717 1.00 0.00 H new ATOM 0 HG SER A 16 -11.882 1.327 7.585 1.00 0.00 H new ATOM 210 N ASP A 17 -8.177 4.604 8.575 1.00 0.00 N ATOM 211 CA ASP A 17 -7.093 5.087 9.423 1.00 0.00 C ATOM 212 C ASP A 17 -6.286 3.923 9.990 1.00 0.00 C ATOM 213 O ASP A 17 -5.069 3.855 9.814 1.00 0.00 O ATOM 214 CB ASP A 17 -7.650 5.940 10.564 1.00 0.00 C ATOM 215 CG ASP A 17 -8.730 6.897 10.097 1.00 0.00 C ATOM 216 OD1 ASP A 17 -9.916 6.506 10.112 1.00 0.00 O ATOM 217 OD2 ASP A 17 -8.389 8.036 9.717 1.00 0.00 O ATOM 0 H ASP A 17 -9.046 5.132 8.659 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.432 5.700 8.810 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.056 5.287 11.337 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.838 6.507 11.020 1.00 0.00 H new ATOM 222 N ARG A 18 -6.972 3.010 10.670 1.00 0.00 N ATOM 223 CA ARG A 18 -6.319 1.850 11.264 1.00 0.00 C ATOM 224 C ARG A 18 -5.455 1.126 10.236 1.00 0.00 C ATOM 225 O ARG A 18 -4.275 0.868 10.473 1.00 0.00 O ATOM 226 CB ARG A 18 -7.362 0.889 11.837 1.00 0.00 C ATOM 227 CG ARG A 18 -8.181 1.484 12.971 1.00 0.00 C ATOM 228 CD ARG A 18 -9.514 0.771 13.129 1.00 0.00 C ATOM 229 NE ARG A 18 -9.366 -0.531 13.775 1.00 0.00 N ATOM 230 CZ ARG A 18 -10.288 -1.486 13.725 1.00 0.00 C ATOM 231 NH1 ARG A 18 -11.418 -1.286 13.061 1.00 0.00 N ATOM 232 NH2 ARG A 18 -10.079 -2.644 14.338 1.00 0.00 N ATOM 0 H ARG A 18 -7.980 3.051 10.823 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.676 2.201 12.071 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.035 0.579 11.038 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.858 -0.008 12.196 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.618 1.416 13.902 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.354 2.543 12.780 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.190 1.392 13.717 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.973 0.639 12.149 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.507 -0.717 14.293 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.581 -0.397 12.587 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.125 -2.021 13.024 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.210 -2.801 14.848 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.787 -3.377 14.299 1.00 0.00 H new ATOM 246 N ASP A 19 -6.051 0.801 9.094 1.00 0.00 N ATOM 247 CA ASP A 19 -5.337 0.107 8.029 1.00 0.00 C ATOM 248 C ASP A 19 -4.142 0.927 7.553 1.00 0.00 C ATOM 249 O ASP A 19 -2.994 0.493 7.664 1.00 0.00 O ATOM 250 CB ASP A 19 -6.277 -0.176 6.856 1.00 0.00 C ATOM 251 CG ASP A 19 -7.408 -1.111 7.233 1.00 0.00 C ATOM 252 OD1 ASP A 19 -7.212 -2.342 7.154 1.00 0.00 O ATOM 253 OD2 ASP A 19 -8.490 -0.613 7.608 1.00 0.00 O ATOM 0 H ASP A 19 -7.027 1.007 8.882 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.971 -0.839 8.427 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.692 0.764 6.492 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.708 -0.612 6.035 1.00 0.00 H new ATOM 258 N LEU A 20 -4.418 2.112 7.021 1.00 0.00 N ATOM 259 CA LEU A 20 -3.365 2.993 6.527 1.00 0.00 C ATOM 260 C LEU A 20 -2.125 2.909 7.411 1.00 0.00 C ATOM 261 O LEU A 20 -1.017 2.688 6.924 1.00 0.00 O ATOM 262 CB LEU A 20 -3.867 4.437 6.468 1.00 0.00 C ATOM 263 CG LEU A 20 -4.689 4.812 5.235 1.00 0.00 C ATOM 264 CD1 LEU A 20 -5.342 6.173 5.422 1.00 0.00 C ATOM 265 CD2 LEU A 20 -3.816 4.804 3.989 1.00 0.00 C ATOM 0 H LEU A 20 -5.362 2.485 6.920 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.095 2.668 5.522 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.472 4.627 7.355 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.005 5.102 6.522 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.476 4.069 5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.923 6.423 4.534 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.000 6.144 6.290 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.571 6.928 5.576 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.418 5.073 3.121 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.007 5.525 4.107 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.397 3.808 3.845 1.00 0.00 H new ATOM 277 N ALA A 21 -2.320 3.086 8.714 1.00 0.00 N ATOM 278 CA ALA A 21 -1.219 3.026 9.667 1.00 0.00 C ATOM 279 C ALA A 21 -0.183 1.991 9.244 1.00 0.00 C ATOM 280 O ALA A 21 1.004 2.296 9.126 1.00 0.00 O ATOM 281 CB ALA A 21 -1.743 2.713 11.060 1.00 0.00 C ATOM 0 H ALA A 21 -3.231 3.272 9.133 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.733 4.001 9.685 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.910 2.671 11.761 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.440 3.492 11.370 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.256 1.751 11.048 1.00 0.00 H new ATOM 287 N THR A 22 -0.639 0.763 9.017 1.00 0.00 N ATOM 288 CA THR A 22 0.249 -0.319 8.609 1.00 0.00 C ATOM 289 C THR A 22 1.008 0.043 7.338 1.00 0.00 C ATOM 290 O THR A 22 2.227 -0.115 7.265 1.00 0.00 O ATOM 291 CB THR A 22 -0.531 -1.627 8.374 1.00 0.00 C ATOM 292 OG1 THR A 22 -1.246 -1.991 9.560 1.00 0.00 O ATOM 293 CG2 THR A 22 0.411 -2.754 7.976 1.00 0.00 C ATOM 0 H THR A 22 -1.618 0.493 9.109 1.00 0.00 H new ATOM 0 HA THR A 22 0.959 -0.470 9.422 1.00 0.00 H new ATOM 0 HB THR A 22 -1.238 -1.462 7.561 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.609 -2.896 9.459 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.162 -3.667 7.815 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.931 -2.486 7.057 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.139 -2.917 8.771 1.00 0.00 H new ATOM 301 N LEU A 23 0.280 0.528 6.338 1.00 0.00 N ATOM 302 CA LEU A 23 0.886 0.913 5.068 1.00 0.00 C ATOM 303 C LEU A 23 1.934 2.003 5.273 1.00 0.00 C ATOM 304 O LEU A 23 3.112 1.810 4.974 1.00 0.00 O ATOM 305 CB LEU A 23 -0.189 1.400 4.094 1.00 0.00 C ATOM 306 CG LEU A 23 -0.824 0.330 3.206 1.00 0.00 C ATOM 307 CD1 LEU A 23 -2.083 0.865 2.542 1.00 0.00 C ATOM 308 CD2 LEU A 23 0.169 -0.153 2.159 1.00 0.00 C ATOM 0 H LEU A 23 -0.730 0.664 6.382 1.00 0.00 H new ATOM 0 HA LEU A 23 1.378 0.036 4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.979 1.883 4.668 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.250 2.163 3.452 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.101 -0.517 3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.521 0.089 1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.801 1.160 3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.831 1.730 1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.301 -0.914 1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.478 0.686 1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.042 -0.577 2.654 1.00 0.00 H new ATOM 320 N LYS A 24 1.496 3.148 5.786 1.00 0.00 N ATOM 321 CA LYS A 24 2.396 4.268 6.035 1.00 0.00 C ATOM 322 C LYS A 24 3.645 3.808 6.779 1.00 0.00 C ATOM 323 O LYS A 24 4.738 4.331 6.561 1.00 0.00 O ATOM 324 CB LYS A 24 1.680 5.355 6.840 1.00 0.00 C ATOM 325 CG LYS A 24 0.945 6.367 5.979 1.00 0.00 C ATOM 326 CD LYS A 24 0.264 7.430 6.824 1.00 0.00 C ATOM 327 CE LYS A 24 -1.118 6.984 7.275 1.00 0.00 C ATOM 328 NZ LYS A 24 -1.895 8.104 7.874 1.00 0.00 N ATOM 0 H LYS A 24 0.523 3.325 6.037 1.00 0.00 H new ATOM 0 HA LYS A 24 2.700 4.679 5.072 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.969 4.884 7.518 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.410 5.878 7.457 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.648 6.841 5.294 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.201 5.855 5.369 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.879 7.651 7.697 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.180 8.353 6.251 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.664 6.578 6.424 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.020 6.180 8.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.831 7.759 8.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.387 8.475 8.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.011 8.861 7.171 1.00 0.00 H new ATOM 342 N LYS A 25 3.476 2.827 7.659 1.00 0.00 N ATOM 343 CA LYS A 25 4.590 2.294 8.434 1.00 0.00 C ATOM 344 C LYS A 25 5.744 1.891 7.523 1.00 0.00 C ATOM 345 O LYS A 25 6.896 2.250 7.768 1.00 0.00 O ATOM 346 CB LYS A 25 4.133 1.088 9.259 1.00 0.00 C ATOM 347 CG LYS A 25 5.041 0.777 10.436 1.00 0.00 C ATOM 348 CD LYS A 25 4.697 1.628 11.647 1.00 0.00 C ATOM 349 CE LYS A 25 5.728 1.466 12.753 1.00 0.00 C ATOM 350 NZ LYS A 25 5.436 2.349 13.916 1.00 0.00 N ATOM 0 H LYS A 25 2.578 2.385 7.853 1.00 0.00 H new ATOM 0 HA LYS A 25 4.939 3.077 9.107 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.124 1.272 9.628 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.081 0.214 8.610 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.953 -0.278 10.695 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.079 0.950 10.152 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.640 2.676 11.352 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.713 1.348 12.022 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.748 0.427 13.082 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.719 1.696 12.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.161 2.209 14.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.442 3.342 13.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.501 2.113 14.305 1.00 0.00 H new ATOM 364 N TYR A 26 5.428 1.146 6.470 1.00 0.00 N ATOM 365 CA TYR A 26 6.439 0.694 5.522 1.00 0.00 C ATOM 366 C TYR A 26 6.987 1.864 4.710 1.00 0.00 C ATOM 367 O TYR A 26 8.167 1.894 4.361 1.00 0.00 O ATOM 368 CB TYR A 26 5.853 -0.362 4.583 1.00 0.00 C ATOM 369 CG TYR A 26 5.803 -1.747 5.187 1.00 0.00 C ATOM 370 CD1 TYR A 26 4.758 -2.126 6.021 1.00 0.00 C ATOM 371 CD2 TYR A 26 6.799 -2.679 4.923 1.00 0.00 C ATOM 372 CE1 TYR A 26 4.708 -3.390 6.575 1.00 0.00 C ATOM 373 CE2 TYR A 26 6.757 -3.946 5.472 1.00 0.00 C ATOM 374 CZ TYR A 26 5.709 -4.296 6.298 1.00 0.00 C ATOM 375 OH TYR A 26 5.663 -5.557 6.847 1.00 0.00 O ATOM 0 H TYR A 26 4.479 0.842 6.251 1.00 0.00 H new ATOM 0 HA TYR A 26 7.259 0.252 6.088 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.845 -0.063 4.297 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.447 -0.394 3.670 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.971 -1.419 6.240 1.00 0.00 H new ATOM 0 HD2 TYR A 26 7.621 -2.408 4.277 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.889 -3.667 7.222 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.540 -4.658 5.256 1.00 0.00 H new ATOM 0 HH TYR A 26 6.443 -6.071 6.551 1.00 0.00 H new ATOM 385 N TRP A 27 6.121 2.826 4.414 1.00 0.00 N ATOM 386 CA TRP A 27 6.516 4.000 3.644 1.00 0.00 C ATOM 387 C TRP A 27 7.693 4.712 4.303 1.00 0.00 C ATOM 388 O TRP A 27 8.490 5.365 3.630 1.00 0.00 O ATOM 389 CB TRP A 27 5.336 4.963 3.501 1.00 0.00 C ATOM 390 CG TRP A 27 5.704 6.260 2.846 1.00 0.00 C ATOM 391 CD1 TRP A 27 6.531 7.225 3.345 1.00 0.00 C ATOM 392 CD2 TRP A 27 5.255 6.734 1.572 1.00 0.00 C ATOM 393 NE1 TRP A 27 6.624 8.270 2.458 1.00 0.00 N ATOM 394 CE2 TRP A 27 5.851 7.993 1.362 1.00 0.00 C ATOM 395 CE3 TRP A 27 4.410 6.216 0.586 1.00 0.00 C ATOM 396 CZ2 TRP A 27 5.626 8.739 0.208 1.00 0.00 C ATOM 397 CZ3 TRP A 27 4.188 6.958 -0.558 1.00 0.00 C ATOM 398 CH2 TRP A 27 4.794 8.208 -0.740 1.00 0.00 C ATOM 0 H TRP A 27 5.141 2.816 4.695 1.00 0.00 H new ATOM 0 HA TRP A 27 6.825 3.667 2.653 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.551 4.480 2.919 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.921 5.167 4.488 1.00 0.00 H new ATOM 0 HD1 TRP A 27 7.038 7.174 4.297 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.179 9.115 2.594 1.00 0.00 H new ATOM 0 HE3 TRP A 27 3.939 5.253 0.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.092 9.703 0.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.536 6.568 -1.325 1.00 0.00 H new ATOM 0 HH2 TRP A 27 4.601 8.763 -1.646 1.00 0.00 H new ATOM 409 N ASP A 28 7.795 4.582 5.621 1.00 0.00 N ATOM 410 CA ASP A 28 8.876 5.212 6.370 1.00 0.00 C ATOM 411 C ASP A 28 10.225 4.615 5.983 1.00 0.00 C ATOM 412 O ASP A 28 11.276 5.143 6.346 1.00 0.00 O ATOM 413 CB ASP A 28 8.645 5.050 7.873 1.00 0.00 C ATOM 414 CG ASP A 28 9.937 5.094 8.665 1.00 0.00 C ATOM 415 OD1 ASP A 28 10.606 4.044 8.769 1.00 0.00 O ATOM 416 OD2 ASP A 28 10.280 6.178 9.181 1.00 0.00 O ATOM 0 H ASP A 28 7.142 4.046 6.193 1.00 0.00 H new ATOM 0 HA ASP A 28 8.885 6.274 6.124 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.981 5.840 8.223 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.140 4.103 8.060 1.00 0.00 H new ATOM 421 N ASN A 29 10.188 3.511 5.243 1.00 0.00 N ATOM 422 CA ASN A 29 11.409 2.841 4.808 1.00 0.00 C ATOM 423 C ASN A 29 11.624 3.023 3.309 1.00 0.00 C ATOM 424 O ASN A 29 12.370 2.272 2.683 1.00 0.00 O ATOM 425 CB ASN A 29 11.347 1.351 5.150 1.00 0.00 C ATOM 426 CG ASN A 29 11.910 1.049 6.525 1.00 0.00 C ATOM 427 OD1 ASN A 29 11.260 1.293 7.541 1.00 0.00 O ATOM 428 ND2 ASN A 29 13.126 0.516 6.562 1.00 0.00 N ATOM 0 H ASN A 29 9.327 3.062 4.932 1.00 0.00 H new ATOM 0 HA ASN A 29 12.250 3.292 5.335 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.312 1.013 5.102 1.00 0.00 H new ATOM 0 HB3 ASN A 29 11.902 0.786 4.401 1.00 0.00 H new ATOM 0 HD21 ASN A 29 13.558 0.292 7.459 1.00 0.00 H new ATOM 0 HD22 ASN A 29 13.628 0.331 5.694 1.00 0.00 H new ATOM 435 N GLY A 30 10.963 4.026 2.738 1.00 0.00 N ATOM 436 CA GLY A 30 11.095 4.288 1.317 1.00 0.00 C ATOM 437 C GLY A 30 10.226 3.375 0.476 1.00 0.00 C ATOM 438 O GLY A 30 10.610 2.983 -0.626 1.00 0.00 O ATOM 0 H GLY A 30 10.339 4.662 3.235 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.828 5.325 1.116 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.137 4.164 1.023 1.00 0.00 H new ATOM 442 N MET A 31 9.051 3.034 0.996 1.00 0.00 N ATOM 443 CA MET A 31 8.126 2.160 0.284 1.00 0.00 C ATOM 444 C MET A 31 7.369 2.931 -0.792 1.00 0.00 C ATOM 445 O MET A 31 6.149 2.815 -0.913 1.00 0.00 O ATOM 446 CB MET A 31 7.136 1.524 1.263 1.00 0.00 C ATOM 447 CG MET A 31 6.648 0.152 0.828 1.00 0.00 C ATOM 448 SD MET A 31 5.031 -0.259 1.512 1.00 0.00 S ATOM 449 CE MET A 31 4.040 1.089 0.871 1.00 0.00 C ATOM 0 H MET A 31 8.717 3.349 1.907 1.00 0.00 H new ATOM 0 HA MET A 31 8.707 1.373 -0.198 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.609 1.439 2.241 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.278 2.186 1.380 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.597 0.117 -0.260 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.372 -0.602 1.138 1.00 0.00 H new ATOM 0 HE1 MET A 31 3.073 0.706 0.544 1.00 0.00 H new ATOM 0 HE2 MET A 31 3.890 1.834 1.652 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.553 1.548 0.026 1.00 0.00 H new ATOM 459 N THR A 32 8.100 3.719 -1.574 1.00 0.00 N ATOM 460 CA THR A 32 7.498 4.510 -2.640 1.00 0.00 C ATOM 461 C THR A 32 7.968 4.035 -4.010 1.00 0.00 C ATOM 462 O THR A 32 8.192 4.841 -4.914 1.00 0.00 O ATOM 463 CB THR A 32 7.831 6.006 -2.486 1.00 0.00 C ATOM 464 OG1 THR A 32 9.238 6.215 -2.653 1.00 0.00 O ATOM 465 CG2 THR A 32 7.396 6.520 -1.121 1.00 0.00 C ATOM 0 H THR A 32 9.111 3.826 -1.489 1.00 0.00 H new ATOM 0 HA THR A 32 6.419 4.375 -2.562 1.00 0.00 H new ATOM 0 HB THR A 32 7.288 6.557 -3.254 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.441 7.169 -2.555 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.642 7.579 -1.036 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.320 6.387 -1.008 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.914 5.963 -0.340 1.00 0.00 H new ATOM 473 N SER A 33 8.115 2.722 -4.158 1.00 0.00 N ATOM 474 CA SER A 33 8.562 2.140 -5.418 1.00 0.00 C ATOM 475 C SER A 33 7.767 0.880 -5.746 1.00 0.00 C ATOM 476 O SER A 33 7.278 0.189 -4.851 1.00 0.00 O ATOM 477 CB SER A 33 10.055 1.813 -5.352 1.00 0.00 C ATOM 478 OG SER A 33 10.791 2.896 -4.810 1.00 0.00 O ATOM 0 H SER A 33 7.931 2.041 -3.421 1.00 0.00 H new ATOM 0 HA SER A 33 8.393 2.871 -6.208 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.209 0.923 -4.742 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.424 1.582 -6.351 1.00 0.00 H new ATOM 0 HG SER A 33 11.742 2.661 -4.777 1.00 0.00 H new ATOM 484 N LEU A 34 7.642 0.586 -7.035 1.00 0.00 N ATOM 485 CA LEU A 34 6.907 -0.592 -7.484 1.00 0.00 C ATOM 486 C LEU A 34 7.858 -1.750 -7.772 1.00 0.00 C ATOM 487 O LEU A 34 7.471 -2.915 -7.702 1.00 0.00 O ATOM 488 CB LEU A 34 6.092 -0.262 -8.736 1.00 0.00 C ATOM 489 CG LEU A 34 4.792 0.509 -8.506 1.00 0.00 C ATOM 490 CD1 LEU A 34 4.458 1.365 -9.718 1.00 0.00 C ATOM 491 CD2 LEU A 34 3.651 -0.449 -8.196 1.00 0.00 C ATOM 0 H LEU A 34 8.040 1.147 -7.788 1.00 0.00 H new ATOM 0 HA LEU A 34 6.229 -0.893 -6.686 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.720 0.318 -9.412 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.852 -1.195 -9.246 1.00 0.00 H new ATOM 0 HG LEU A 34 4.929 1.168 -7.648 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.530 1.907 -9.536 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.265 2.077 -9.894 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.340 0.726 -10.593 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.734 0.118 -8.035 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.513 -1.133 -9.033 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.888 -1.018 -7.297 1.00 0.00 H new ATOM 503 N GLY A 35 9.104 -1.419 -8.095 1.00 0.00 N ATOM 504 CA GLY A 35 10.091 -2.443 -8.387 1.00 0.00 C ATOM 505 C GLY A 35 10.190 -3.483 -7.288 1.00 0.00 C ATOM 506 O GLY A 35 9.567 -3.345 -6.236 1.00 0.00 O ATOM 0 H GLY A 35 9.448 -0.461 -8.160 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.834 -2.934 -9.326 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.065 -1.975 -8.529 1.00 0.00 H new ATOM 510 N SER A 36 10.974 -4.528 -7.534 1.00 0.00 N ATOM 511 CA SER A 36 11.148 -5.598 -6.559 1.00 0.00 C ATOM 512 C SER A 36 11.753 -5.063 -5.266 1.00 0.00 C ATOM 513 O SER A 36 11.482 -5.576 -4.180 1.00 0.00 O ATOM 514 CB SER A 36 12.039 -6.701 -7.135 1.00 0.00 C ATOM 515 OG SER A 36 13.205 -6.156 -7.728 1.00 0.00 O ATOM 0 H SER A 36 11.498 -4.656 -8.399 1.00 0.00 H new ATOM 0 HA SER A 36 10.166 -6.014 -6.334 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.320 -7.396 -6.344 1.00 0.00 H new ATOM 0 HB3 SER A 36 11.482 -7.272 -7.878 1.00 0.00 H new ATOM 0 HG SER A 36 13.759 -6.881 -8.087 1.00 0.00 H new ATOM 521 N VAL A 37 12.576 -4.026 -5.390 1.00 0.00 N ATOM 522 CA VAL A 37 13.220 -3.418 -4.232 1.00 0.00 C ATOM 523 C VAL A 37 12.221 -3.189 -3.104 1.00 0.00 C ATOM 524 O VAL A 37 12.571 -3.263 -1.925 1.00 0.00 O ATOM 525 CB VAL A 37 13.882 -2.076 -4.597 1.00 0.00 C ATOM 526 CG1 VAL A 37 15.040 -2.296 -5.559 1.00 0.00 C ATOM 527 CG2 VAL A 37 12.857 -1.123 -5.193 1.00 0.00 C ATOM 0 H VAL A 37 12.812 -3.590 -6.281 1.00 0.00 H new ATOM 0 HA VAL A 37 13.989 -4.114 -3.897 1.00 0.00 H new ATOM 0 HB VAL A 37 14.278 -1.626 -3.687 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.495 -1.337 -5.806 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.784 -2.941 -5.092 1.00 0.00 H new ATOM 0 HG13 VAL A 37 14.672 -2.768 -6.470 1.00 0.00 H new ATOM 0 HG21 VAL A 37 13.341 -0.180 -5.445 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.430 -1.564 -6.094 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.064 -0.941 -4.467 1.00 0.00 H new ATOM 537 N CYS A 38 10.975 -2.912 -3.472 1.00 0.00 N ATOM 538 CA CYS A 38 9.923 -2.672 -2.491 1.00 0.00 C ATOM 539 C CYS A 38 8.920 -3.821 -2.477 1.00 0.00 C ATOM 540 O CYS A 38 8.365 -4.161 -1.432 1.00 0.00 O ATOM 541 CB CYS A 38 9.205 -1.356 -2.794 1.00 0.00 C ATOM 542 SG CYS A 38 10.073 0.113 -2.194 1.00 0.00 S ATOM 0 H CYS A 38 10.669 -2.848 -4.443 1.00 0.00 H new ATOM 0 HA CYS A 38 10.386 -2.606 -1.507 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.068 -1.269 -3.872 1.00 0.00 H new ATOM 0 HB3 CYS A 38 8.211 -1.385 -2.347 1.00 0.00 H new ATOM 0 HG CYS A 38 11.151 0.298 -2.897 1.00 0.00 H new ATOM 548 N ARG A 39 8.690 -4.413 -3.645 1.00 0.00 N ATOM 549 CA ARG A 39 7.751 -5.522 -3.767 1.00 0.00 C ATOM 550 C ARG A 39 7.835 -6.442 -2.553 1.00 0.00 C ATOM 551 O ARG A 39 6.828 -6.717 -1.901 1.00 0.00 O ATOM 552 CB ARG A 39 8.032 -6.317 -5.044 1.00 0.00 C ATOM 553 CG ARG A 39 6.889 -7.229 -5.457 1.00 0.00 C ATOM 554 CD ARG A 39 7.110 -7.805 -6.847 1.00 0.00 C ATOM 555 NE ARG A 39 5.916 -8.469 -7.361 1.00 0.00 N ATOM 556 CZ ARG A 39 5.932 -9.337 -8.367 1.00 0.00 C ATOM 557 NH1 ARG A 39 7.076 -9.644 -8.963 1.00 0.00 N ATOM 558 NH2 ARG A 39 4.803 -9.899 -8.778 1.00 0.00 N ATOM 0 H ARG A 39 9.141 -4.143 -4.519 1.00 0.00 H new ATOM 0 HA ARG A 39 6.744 -5.109 -3.818 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.242 -5.621 -5.856 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.930 -6.917 -4.898 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.792 -8.041 -4.737 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.952 -6.672 -5.438 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.402 -7.006 -7.528 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.936 -8.516 -6.818 1.00 0.00 H new ATOM 0 HE ARG A 39 5.020 -8.255 -6.924 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.946 -9.214 -8.649 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.086 -10.311 -9.735 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.921 -9.665 -8.322 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.817 -10.565 -9.550 1.00 0.00 H new ATOM 572 N GLU A 40 9.041 -6.915 -2.257 1.00 0.00 N ATOM 573 CA GLU A 40 9.255 -7.805 -1.122 1.00 0.00 C ATOM 574 C GLU A 40 8.530 -7.289 0.118 1.00 0.00 C ATOM 575 O GLU A 40 7.893 -8.054 0.842 1.00 0.00 O ATOM 576 CB GLU A 40 10.750 -7.946 -0.831 1.00 0.00 C ATOM 577 CG GLU A 40 11.512 -8.699 -1.909 1.00 0.00 C ATOM 578 CD GLU A 40 12.993 -8.812 -1.605 1.00 0.00 C ATOM 579 OE1 GLU A 40 13.734 -7.849 -1.897 1.00 0.00 O ATOM 580 OE2 GLU A 40 13.413 -9.862 -1.075 1.00 0.00 O ATOM 0 H GLU A 40 9.885 -6.697 -2.787 1.00 0.00 H new ATOM 0 HA GLU A 40 8.849 -8.783 -1.378 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.185 -6.953 -0.717 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.879 -8.461 0.121 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.090 -9.698 -2.017 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.379 -8.192 -2.865 1.00 0.00 H new ATOM 587 N LYS A 41 8.632 -5.986 0.356 1.00 0.00 N ATOM 588 CA LYS A 41 7.987 -5.366 1.507 1.00 0.00 C ATOM 589 C LYS A 41 6.470 -5.376 1.352 1.00 0.00 C ATOM 590 O LYS A 41 5.746 -5.767 2.268 1.00 0.00 O ATOM 591 CB LYS A 41 8.483 -3.928 1.682 1.00 0.00 C ATOM 592 CG LYS A 41 9.995 -3.811 1.763 1.00 0.00 C ATOM 593 CD LYS A 41 10.535 -4.441 3.035 1.00 0.00 C ATOM 594 CE LYS A 41 10.569 -3.441 4.181 1.00 0.00 C ATOM 595 NZ LYS A 41 10.775 -4.111 5.496 1.00 0.00 N ATOM 0 H LYS A 41 9.156 -5.339 -0.233 1.00 0.00 H new ATOM 0 HA LYS A 41 8.248 -5.945 2.393 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.125 -3.325 0.848 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.046 -3.510 2.589 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.445 -4.295 0.896 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.282 -2.760 1.726 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.914 -5.293 3.312 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.540 -4.824 2.855 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.369 -2.721 4.011 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.635 -2.880 4.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.792 -3.396 6.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.998 -4.780 5.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.679 -4.625 5.486 1.00 0.00 H new ATOM 609 N ILE A 42 5.996 -4.947 0.188 1.00 0.00 N ATOM 610 CA ILE A 42 4.565 -4.910 -0.087 1.00 0.00 C ATOM 611 C ILE A 42 3.928 -6.278 0.131 1.00 0.00 C ATOM 612 O ILE A 42 2.790 -6.378 0.589 1.00 0.00 O ATOM 613 CB ILE A 42 4.280 -4.448 -1.529 1.00 0.00 C ATOM 614 CG1 ILE A 42 4.691 -2.985 -1.709 1.00 0.00 C ATOM 615 CG2 ILE A 42 2.808 -4.636 -1.864 1.00 0.00 C ATOM 616 CD1 ILE A 42 5.053 -2.630 -3.134 1.00 0.00 C ATOM 0 H ILE A 42 6.582 -4.620 -0.580 1.00 0.00 H new ATOM 0 HA ILE A 42 4.129 -4.193 0.609 1.00 0.00 H new ATOM 0 HB ILE A 42 4.869 -5.058 -2.214 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.874 -2.343 -1.380 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.543 -2.773 -1.063 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.622 -4.305 -2.886 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.545 -5.690 -1.770 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.200 -4.048 -1.176 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.334 -1.578 -3.187 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.891 -3.246 -3.461 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.196 -2.810 -3.783 1.00 0.00 H new ATOM 628 N GLU A 43 4.671 -7.330 -0.199 1.00 0.00 N ATOM 629 CA GLU A 43 4.178 -8.693 -0.037 1.00 0.00 C ATOM 630 C GLU A 43 3.801 -8.967 1.416 1.00 0.00 C ATOM 631 O GLU A 43 3.019 -9.872 1.705 1.00 0.00 O ATOM 632 CB GLU A 43 5.234 -9.699 -0.500 1.00 0.00 C ATOM 633 CG GLU A 43 5.537 -9.624 -1.987 1.00 0.00 C ATOM 634 CD GLU A 43 4.634 -10.520 -2.812 1.00 0.00 C ATOM 635 OE1 GLU A 43 3.536 -10.066 -3.195 1.00 0.00 O ATOM 636 OE2 GLU A 43 5.027 -11.676 -3.076 1.00 0.00 O ATOM 0 H GLU A 43 5.615 -7.265 -0.580 1.00 0.00 H new ATOM 0 HA GLU A 43 3.285 -8.805 -0.653 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.155 -9.529 0.059 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.895 -10.706 -0.257 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.427 -8.594 -2.325 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.576 -9.906 -2.157 1.00 0.00 H new ATOM 643 N ALA A 44 4.365 -8.179 2.326 1.00 0.00 N ATOM 644 CA ALA A 44 4.087 -8.335 3.748 1.00 0.00 C ATOM 645 C ALA A 44 2.877 -7.506 4.166 1.00 0.00 C ATOM 646 O ALA A 44 1.867 -8.047 4.616 1.00 0.00 O ATOM 647 CB ALA A 44 5.307 -7.943 4.569 1.00 0.00 C ATOM 0 H ALA A 44 5.017 -7.427 2.103 1.00 0.00 H new ATOM 0 HA ALA A 44 3.857 -9.384 3.935 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.086 -8.064 5.629 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.148 -8.581 4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.562 -6.902 4.368 1.00 0.00 H new ATOM 653 N VAL A 45 2.986 -6.190 4.014 1.00 0.00 N ATOM 654 CA VAL A 45 1.900 -5.287 4.374 1.00 0.00 C ATOM 655 C VAL A 45 0.570 -5.772 3.808 1.00 0.00 C ATOM 656 O VAL A 45 -0.492 -5.483 4.358 1.00 0.00 O ATOM 657 CB VAL A 45 2.169 -3.856 3.870 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.061 -3.795 2.354 1.00 0.00 C ATOM 659 CG2 VAL A 45 1.208 -2.873 4.521 1.00 0.00 C ATOM 0 H VAL A 45 3.815 -5.726 3.644 1.00 0.00 H new ATOM 0 HA VAL A 45 1.845 -5.277 5.463 1.00 0.00 H new ATOM 0 HB VAL A 45 3.184 -3.575 4.150 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.254 -2.777 2.016 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.793 -4.470 1.910 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.059 -4.095 2.048 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.412 -1.867 4.154 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.183 -3.149 4.274 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.340 -2.898 5.603 1.00 0.00 H new ATOM 669 N ALA A 46 0.637 -6.511 2.706 1.00 0.00 N ATOM 670 CA ALA A 46 -0.561 -7.039 2.066 1.00 0.00 C ATOM 671 C ALA A 46 -1.096 -8.253 2.818 1.00 0.00 C ATOM 672 O ALA A 46 -2.299 -8.372 3.053 1.00 0.00 O ATOM 673 CB ALA A 46 -0.271 -7.400 0.617 1.00 0.00 C ATOM 0 H ALA A 46 1.509 -6.758 2.238 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.326 -6.263 2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.175 -7.793 0.152 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.057 -6.510 0.079 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.514 -8.156 0.580 1.00 0.00 H new ATOM 679 N THR A 47 -0.194 -9.155 3.195 1.00 0.00 N ATOM 680 CA THR A 47 -0.575 -10.361 3.918 1.00 0.00 C ATOM 681 C THR A 47 -0.939 -10.042 5.364 1.00 0.00 C ATOM 682 O THR A 47 -1.644 -10.810 6.019 1.00 0.00 O ATOM 683 CB THR A 47 0.557 -11.406 3.905 1.00 0.00 C ATOM 684 OG1 THR A 47 0.037 -12.696 4.246 1.00 0.00 O ATOM 685 CG2 THR A 47 1.659 -11.023 4.881 1.00 0.00 C ATOM 0 H THR A 47 0.806 -9.072 3.011 1.00 0.00 H new ATOM 0 HA THR A 47 -1.446 -10.773 3.408 1.00 0.00 H new ATOM 0 HB THR A 47 0.979 -11.439 2.901 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.762 -13.355 4.234 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.447 -11.776 4.854 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.073 -10.054 4.601 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.248 -10.964 5.889 1.00 0.00 H new ATOM 693 N GLU A 48 -0.455 -8.906 5.855 1.00 0.00 N ATOM 694 CA GLU A 48 -0.731 -8.487 7.224 1.00 0.00 C ATOM 695 C GLU A 48 -2.143 -7.921 7.346 1.00 0.00 C ATOM 696 O GLU A 48 -2.830 -8.143 8.344 1.00 0.00 O ATOM 697 CB GLU A 48 0.290 -7.442 7.677 1.00 0.00 C ATOM 698 CG GLU A 48 -0.142 -6.661 8.906 1.00 0.00 C ATOM 699 CD GLU A 48 -0.630 -7.559 10.026 1.00 0.00 C ATOM 700 OE1 GLU A 48 0.109 -8.492 10.403 1.00 0.00 O ATOM 701 OE2 GLU A 48 -1.751 -7.329 10.526 1.00 0.00 O ATOM 0 H GLU A 48 0.130 -8.259 5.326 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.653 -9.363 7.867 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.237 -7.939 7.887 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.471 -6.745 6.859 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.695 -6.062 9.264 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.936 -5.967 8.630 1.00 0.00 H new ATOM 708 N LEU A 49 -2.569 -7.187 6.324 1.00 0.00 N ATOM 709 CA LEU A 49 -3.899 -6.587 6.315 1.00 0.00 C ATOM 710 C LEU A 49 -4.929 -7.554 5.741 1.00 0.00 C ATOM 711 O LEU A 49 -6.130 -7.286 5.768 1.00 0.00 O ATOM 712 CB LEU A 49 -3.890 -5.291 5.503 1.00 0.00 C ATOM 713 CG LEU A 49 -3.102 -4.127 6.105 1.00 0.00 C ATOM 714 CD1 LEU A 49 -3.002 -2.980 5.111 1.00 0.00 C ATOM 715 CD2 LEU A 49 -3.749 -3.658 7.400 1.00 0.00 C ATOM 0 H LEU A 49 -2.013 -6.993 5.491 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.176 -6.361 7.345 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.482 -5.507 4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.921 -4.969 5.359 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.094 -4.474 6.331 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.438 -2.161 5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.493 -3.323 4.210 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.003 -2.634 4.853 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.175 -2.829 7.814 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.768 -3.328 7.199 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.768 -4.480 8.116 1.00 0.00 H new ATOM 727 N ASN A 50 -4.451 -8.681 5.222 1.00 0.00 N ATOM 728 CA ASN A 50 -5.330 -9.689 4.642 1.00 0.00 C ATOM 729 C ASN A 50 -6.042 -9.145 3.408 1.00 0.00 C ATOM 730 O ASN A 50 -7.225 -9.410 3.192 1.00 0.00 O ATOM 731 CB ASN A 50 -6.360 -10.153 5.675 1.00 0.00 C ATOM 732 CG ASN A 50 -5.772 -10.261 7.069 1.00 0.00 C ATOM 733 OD1 ASN A 50 -4.553 -10.303 7.239 1.00 0.00 O ATOM 734 ND2 ASN A 50 -6.638 -10.307 8.074 1.00 0.00 N ATOM 0 H ASN A 50 -3.460 -8.918 5.192 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.718 -10.539 4.341 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.196 -9.454 5.689 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.759 -11.122 5.376 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.302 -10.380 9.034 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.640 -10.269 7.886 1.00 0.00 H new ATOM 741 N VAL A 51 -5.313 -8.382 2.599 1.00 0.00 N ATOM 742 CA VAL A 51 -5.873 -7.802 1.384 1.00 0.00 C ATOM 743 C VAL A 51 -5.028 -8.156 0.166 1.00 0.00 C ATOM 744 O VAL A 51 -3.920 -8.677 0.296 1.00 0.00 O ATOM 745 CB VAL A 51 -5.981 -6.269 1.493 1.00 0.00 C ATOM 746 CG1 VAL A 51 -6.799 -5.877 2.714 1.00 0.00 C ATOM 747 CG2 VAL A 51 -4.597 -5.640 1.544 1.00 0.00 C ATOM 0 H VAL A 51 -4.333 -8.151 2.763 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.872 -8.222 1.263 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.493 -5.894 0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.864 -4.791 2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.801 -6.297 2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.318 -6.262 3.613 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.692 -4.557 1.621 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.057 -6.019 2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.049 -5.892 0.636 1.00 0.00 H new ATOM 757 N ASP A 52 -5.558 -7.868 -1.018 1.00 0.00 N ATOM 758 CA ASP A 52 -4.851 -8.154 -2.262 1.00 0.00 C ATOM 759 C ASP A 52 -3.641 -7.240 -2.422 1.00 0.00 C ATOM 760 O ASP A 52 -3.780 -6.020 -2.518 1.00 0.00 O ATOM 761 CB ASP A 52 -5.792 -7.990 -3.456 1.00 0.00 C ATOM 762 CG ASP A 52 -5.295 -8.720 -4.689 1.00 0.00 C ATOM 763 OD1 ASP A 52 -4.136 -8.484 -5.091 1.00 0.00 O ATOM 764 OD2 ASP A 52 -6.064 -9.527 -5.250 1.00 0.00 O ATOM 0 H ASP A 52 -6.474 -7.437 -1.143 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.501 -9.186 -2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.781 -8.364 -3.190 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.903 -6.930 -3.685 1.00 0.00 H new ATOM 769 N CYS A 53 -2.455 -7.837 -2.449 1.00 0.00 N ATOM 770 CA CYS A 53 -1.219 -7.075 -2.596 1.00 0.00 C ATOM 771 C CYS A 53 -1.385 -5.962 -3.625 1.00 0.00 C ATOM 772 O CYS A 53 -1.017 -4.815 -3.376 1.00 0.00 O ATOM 773 CB CYS A 53 -0.072 -8.000 -3.007 1.00 0.00 C ATOM 774 SG CYS A 53 0.082 -9.485 -1.987 1.00 0.00 S ATOM 0 H CYS A 53 -2.322 -8.845 -2.371 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.984 -6.622 -1.633 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -0.215 -8.299 -4.045 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.864 -7.443 -2.962 1.00 0.00 H new ATOM 0 HG CYS A 53 1.078 -10.204 -2.414 1.00 0.00 H new ATOM 780 N GLU A 54 -1.940 -6.310 -4.782 1.00 0.00 N ATOM 781 CA GLU A 54 -2.152 -5.340 -5.849 1.00 0.00 C ATOM 782 C GLU A 54 -2.673 -4.020 -5.289 1.00 0.00 C ATOM 783 O GLU A 54 -2.218 -2.944 -5.680 1.00 0.00 O ATOM 784 CB GLU A 54 -3.136 -5.892 -6.883 1.00 0.00 C ATOM 785 CG GLU A 54 -2.997 -5.257 -8.256 1.00 0.00 C ATOM 786 CD GLU A 54 -4.101 -5.675 -9.207 1.00 0.00 C ATOM 787 OE1 GLU A 54 -5.270 -5.315 -8.953 1.00 0.00 O ATOM 788 OE2 GLU A 54 -3.797 -6.363 -10.204 1.00 0.00 O ATOM 0 H GLU A 54 -2.251 -7.256 -5.004 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.193 -5.156 -6.333 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.989 -6.968 -6.973 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.153 -5.738 -6.522 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.003 -4.172 -8.153 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.032 -5.531 -8.683 1.00 0.00 H new ATOM 795 N ILE A 55 -3.630 -4.110 -4.371 1.00 0.00 N ATOM 796 CA ILE A 55 -4.213 -2.924 -3.757 1.00 0.00 C ATOM 797 C ILE A 55 -3.130 -2.001 -3.207 1.00 0.00 C ATOM 798 O ILE A 55 -3.199 -0.782 -3.364 1.00 0.00 O ATOM 799 CB ILE A 55 -5.181 -3.297 -2.618 1.00 0.00 C ATOM 800 CG1 ILE A 55 -6.396 -4.042 -3.176 1.00 0.00 C ATOM 801 CG2 ILE A 55 -5.617 -2.050 -1.864 1.00 0.00 C ATOM 802 CD1 ILE A 55 -7.083 -4.925 -2.158 1.00 0.00 C ATOM 0 H ILE A 55 -4.018 -4.992 -4.036 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.768 -2.405 -4.538 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.663 -3.956 -1.921 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.113 -3.316 -3.558 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.080 -4.653 -4.021 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.301 -2.330 -1.062 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.742 -1.557 -1.439 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.121 -1.368 -2.549 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.935 -5.422 -2.623 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.381 -5.674 -1.793 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.430 -4.316 -1.323 1.00 0.00 H new ATOM 814 N VAL A 56 -2.129 -2.592 -2.562 1.00 0.00 N ATOM 815 CA VAL A 56 -1.029 -1.823 -1.991 1.00 0.00 C ATOM 816 C VAL A 56 -0.154 -1.222 -3.084 1.00 0.00 C ATOM 817 O VAL A 56 0.024 -0.005 -3.152 1.00 0.00 O ATOM 818 CB VAL A 56 -0.155 -2.695 -1.069 1.00 0.00 C ATOM 819 CG1 VAL A 56 1.078 -1.926 -0.619 1.00 0.00 C ATOM 820 CG2 VAL A 56 -0.960 -3.177 0.128 1.00 0.00 C ATOM 0 H VAL A 56 -2.057 -3.600 -2.422 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.474 -1.020 -1.404 1.00 0.00 H new ATOM 0 HB VAL A 56 0.176 -3.569 -1.630 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.683 -2.557 0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.664 -1.636 -1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.771 -1.033 -0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.327 -3.791 0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.322 -2.318 0.693 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.808 -3.768 -0.218 1.00 0.00 H new ATOM 830 N ARG A 57 0.392 -2.081 -3.938 1.00 0.00 N ATOM 831 CA ARG A 57 1.250 -1.635 -5.028 1.00 0.00 C ATOM 832 C ARG A 57 0.637 -0.437 -5.748 1.00 0.00 C ATOM 833 O ARG A 57 1.322 0.544 -6.039 1.00 0.00 O ATOM 834 CB ARG A 57 1.484 -2.774 -6.022 1.00 0.00 C ATOM 835 CG ARG A 57 2.700 -3.626 -5.696 1.00 0.00 C ATOM 836 CD ARG A 57 2.793 -4.837 -6.611 1.00 0.00 C ATOM 837 NE ARG A 57 2.846 -4.456 -8.020 1.00 0.00 N ATOM 838 CZ ARG A 57 3.355 -5.230 -8.972 1.00 0.00 C ATOM 839 NH1 ARG A 57 3.852 -6.421 -8.668 1.00 0.00 N ATOM 840 NH2 ARG A 57 3.367 -4.813 -10.232 1.00 0.00 N ATOM 0 H ARG A 57 0.255 -3.091 -3.896 1.00 0.00 H new ATOM 0 HA ARG A 57 2.206 -1.332 -4.602 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.600 -3.411 -6.046 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.602 -2.355 -7.021 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.604 -3.025 -5.794 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.647 -3.956 -4.658 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.682 -5.415 -6.358 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.933 -5.485 -6.443 1.00 0.00 H new ATOM 0 HE ARG A 57 2.472 -3.546 -8.288 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.844 -6.745 -7.701 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.242 -7.013 -9.401 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.985 -3.898 -10.470 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.758 -5.408 -10.962 1.00 0.00 H new ATOM 854 N THR A 58 -0.659 -0.524 -6.032 1.00 0.00 N ATOM 855 CA THR A 58 -1.365 0.551 -6.718 1.00 0.00 C ATOM 856 C THR A 58 -1.475 1.789 -5.834 1.00 0.00 C ATOM 857 O THR A 58 -1.413 2.918 -6.321 1.00 0.00 O ATOM 858 CB THR A 58 -2.778 0.112 -7.146 1.00 0.00 C ATOM 859 OG1 THR A 58 -2.703 -1.085 -7.927 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.465 1.207 -7.949 1.00 0.00 C ATOM 0 H THR A 58 -1.241 -1.328 -5.797 1.00 0.00 H new ATOM 0 HA THR A 58 -0.783 0.794 -7.607 1.00 0.00 H new ATOM 0 HB THR A 58 -3.364 -0.078 -6.247 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.537 -1.850 -7.338 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.461 0.874 -8.240 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.547 2.108 -7.340 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.880 1.425 -8.842 1.00 0.00 H new ATOM 868 N TRP A 59 -1.638 1.569 -4.535 1.00 0.00 N ATOM 869 CA TRP A 59 -1.756 2.668 -3.583 1.00 0.00 C ATOM 870 C TRP A 59 -0.470 3.485 -3.533 1.00 0.00 C ATOM 871 O TRP A 59 -0.508 4.713 -3.446 1.00 0.00 O ATOM 872 CB TRP A 59 -2.088 2.129 -2.190 1.00 0.00 C ATOM 873 CG TRP A 59 -1.930 3.151 -1.105 1.00 0.00 C ATOM 874 CD1 TRP A 59 -2.882 4.020 -0.652 1.00 0.00 C ATOM 875 CD2 TRP A 59 -0.749 3.412 -0.339 1.00 0.00 C ATOM 876 NE1 TRP A 59 -2.364 4.805 0.349 1.00 0.00 N ATOM 877 CE2 TRP A 59 -1.058 4.451 0.561 1.00 0.00 C ATOM 878 CE3 TRP A 59 0.538 2.868 -0.324 1.00 0.00 C ATOM 879 CZ2 TRP A 59 -0.125 4.955 1.463 1.00 0.00 C ATOM 880 CZ3 TRP A 59 1.463 3.370 0.572 1.00 0.00 C ATOM 881 CH2 TRP A 59 1.128 4.404 1.456 1.00 0.00 C ATOM 0 H TRP A 59 -1.692 0.640 -4.116 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.565 3.319 -3.915 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -3.114 1.761 -2.186 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.443 1.278 -1.974 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.893 4.081 -1.026 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.870 5.533 0.853 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.805 2.070 -1.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.381 5.753 2.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.461 2.958 0.591 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.873 4.774 2.145 1.00 0.00 H new ATOM 892 N ILE A 60 0.665 2.797 -3.587 1.00 0.00 N ATOM 893 CA ILE A 60 1.962 3.461 -3.549 1.00 0.00 C ATOM 894 C ILE A 60 2.099 4.466 -4.688 1.00 0.00 C ATOM 895 O ILE A 60 2.286 5.660 -4.457 1.00 0.00 O ATOM 896 CB ILE A 60 3.117 2.445 -3.634 1.00 0.00 C ATOM 897 CG1 ILE A 60 3.093 1.510 -2.423 1.00 0.00 C ATOM 898 CG2 ILE A 60 4.453 3.169 -3.726 1.00 0.00 C ATOM 899 CD1 ILE A 60 4.013 0.317 -2.563 1.00 0.00 C ATOM 0 H ILE A 60 0.713 1.781 -3.657 1.00 0.00 H new ATOM 0 HA ILE A 60 2.020 3.986 -2.596 1.00 0.00 H new ATOM 0 HB ILE A 60 2.988 1.845 -4.535 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.375 2.073 -1.533 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.074 1.156 -2.267 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.260 2.438 -3.785 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.466 3.797 -4.617 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.591 3.791 -2.842 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.945 -0.302 -1.668 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.719 -0.269 -3.433 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.039 0.662 -2.688 1.00 0.00 H new ATOM 911 N GLY A 61 2.003 3.974 -5.919 1.00 0.00 N ATOM 912 CA GLY A 61 2.117 4.842 -7.076 1.00 0.00 C ATOM 913 C GLY A 61 1.162 6.018 -7.015 1.00 0.00 C ATOM 914 O GLY A 61 1.528 7.142 -7.354 1.00 0.00 O ATOM 0 H GLY A 61 1.848 2.989 -6.136 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.140 5.212 -7.149 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.921 4.265 -7.980 1.00 0.00 H new ATOM 918 N ASN A 62 -0.067 5.757 -6.582 1.00 0.00 N ATOM 919 CA ASN A 62 -1.079 6.803 -6.480 1.00 0.00 C ATOM 920 C ASN A 62 -0.589 7.950 -5.602 1.00 0.00 C ATOM 921 O ASN A 62 -0.512 9.096 -6.045 1.00 0.00 O ATOM 922 CB ASN A 62 -2.379 6.230 -5.911 1.00 0.00 C ATOM 923 CG ASN A 62 -3.058 5.273 -6.872 1.00 0.00 C ATOM 924 OD1 ASN A 62 -3.461 4.174 -6.490 1.00 0.00 O ATOM 925 ND2 ASN A 62 -3.189 5.689 -8.127 1.00 0.00 N ATOM 0 H ASN A 62 -0.386 4.831 -6.296 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.268 7.190 -7.481 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.166 5.712 -4.976 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.060 7.047 -5.674 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.639 5.089 -8.819 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.840 6.608 -8.399 1.00 0.00 H new ATOM 932 N ARG A 63 -0.258 7.633 -4.354 1.00 0.00 N ATOM 933 CA ARG A 63 0.225 8.637 -3.413 1.00 0.00 C ATOM 934 C ARG A 63 1.323 9.489 -4.043 1.00 0.00 C ATOM 935 O ARG A 63 1.176 10.702 -4.187 1.00 0.00 O ATOM 936 CB ARG A 63 0.750 7.966 -2.143 1.00 0.00 C ATOM 937 CG ARG A 63 1.260 8.948 -1.101 1.00 0.00 C ATOM 938 CD ARG A 63 1.080 8.408 0.309 1.00 0.00 C ATOM 939 NE ARG A 63 -0.329 8.309 0.682 1.00 0.00 N ATOM 940 CZ ARG A 63 -0.756 8.287 1.940 1.00 0.00 C ATOM 941 NH1 ARG A 63 0.112 8.358 2.939 1.00 0.00 N ATOM 942 NH2 ARG A 63 -2.054 8.196 2.199 1.00 0.00 N ATOM 0 H ARG A 63 -0.315 6.689 -3.971 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.611 9.287 -3.153 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.046 7.365 -1.704 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.555 7.282 -2.410 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.315 9.155 -1.280 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.728 9.894 -1.200 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.544 7.425 0.382 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.597 9.058 1.015 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.023 8.254 -0.064 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.110 8.430 2.743 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.218 8.341 3.904 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.725 8.143 1.432 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.381 8.179 3.165 1.00 0.00 H new ATOM 956 N ARG A 64 2.424 8.844 -4.415 1.00 0.00 N ATOM 957 CA ARG A 64 3.548 9.543 -5.027 1.00 0.00 C ATOM 958 C ARG A 64 3.060 10.653 -5.953 1.00 0.00 C ATOM 959 O ARG A 64 3.355 11.828 -5.738 1.00 0.00 O ATOM 960 CB ARG A 64 4.422 8.560 -5.808 1.00 0.00 C ATOM 961 CG ARG A 64 5.268 7.660 -4.922 1.00 0.00 C ATOM 962 CD ARG A 64 5.693 6.397 -5.655 1.00 0.00 C ATOM 963 NE ARG A 64 6.704 6.668 -6.673 1.00 0.00 N ATOM 964 CZ ARG A 64 6.946 5.864 -7.702 1.00 0.00 C ATOM 965 NH1 ARG A 64 6.252 4.744 -7.849 1.00 0.00 N ATOM 966 NH2 ARG A 64 7.883 6.180 -8.587 1.00 0.00 N ATOM 0 H ARG A 64 2.562 7.840 -4.303 1.00 0.00 H new ATOM 0 HA ARG A 64 4.141 9.993 -4.231 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.783 7.940 -6.437 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.078 9.120 -6.474 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.152 8.203 -4.588 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.703 7.391 -4.029 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.085 5.676 -4.938 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.822 5.939 -6.123 1.00 0.00 H new ATOM 0 HE ARG A 64 7.255 7.522 -6.589 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.531 4.498 -7.171 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.439 4.128 -8.640 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.418 7.041 -8.477 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.068 5.562 -9.377 1.00 0.00 H new ATOM 980 N ARG A 65 2.312 10.270 -6.983 1.00 0.00 N ATOM 981 CA ARG A 65 1.784 11.233 -7.942 1.00 0.00 C ATOM 982 C ARG A 65 0.926 12.284 -7.243 1.00 0.00 C ATOM 983 O ARG A 65 1.181 13.483 -7.355 1.00 0.00 O ATOM 984 CB ARG A 65 0.959 10.517 -9.013 1.00 0.00 C ATOM 985 CG ARG A 65 0.976 11.216 -10.363 1.00 0.00 C ATOM 986 CD ARG A 65 0.037 10.541 -11.351 1.00 0.00 C ATOM 987 NE ARG A 65 0.699 9.469 -12.090 1.00 0.00 N ATOM 988 CZ ARG A 65 0.817 8.227 -11.635 1.00 0.00 C ATOM 989 NH1 ARG A 65 0.321 7.902 -10.449 1.00 0.00 N ATOM 990 NH2 ARG A 65 1.433 7.307 -12.366 1.00 0.00 N ATOM 0 H ARG A 65 2.058 9.301 -7.175 1.00 0.00 H new ATOM 0 HA ARG A 65 2.627 11.735 -8.416 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.338 9.502 -9.134 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.072 10.433 -8.670 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.686 12.259 -10.238 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.990 11.213 -10.763 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -0.822 10.136 -10.816 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.345 11.283 -12.052 1.00 0.00 H new ATOM 0 HE ARG A 65 1.092 9.686 -13.006 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.153 8.607 -9.884 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.413 6.947 -10.102 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.817 7.553 -13.278 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.523 6.353 -12.016 1.00 0.00 H new ATOM 1004 N LYS A 66 -0.091 11.825 -6.521 1.00 0.00 N ATOM 1005 CA LYS A 66 -0.986 12.724 -5.802 1.00 0.00 C ATOM 1006 C LYS A 66 -0.230 13.942 -5.280 1.00 0.00 C ATOM 1007 O LYS A 66 -0.569 15.080 -5.603 1.00 0.00 O ATOM 1008 CB LYS A 66 -1.655 11.988 -4.639 1.00 0.00 C ATOM 1009 CG LYS A 66 -2.908 11.229 -5.039 1.00 0.00 C ATOM 1010 CD LYS A 66 -4.088 12.166 -5.234 1.00 0.00 C ATOM 1011 CE LYS A 66 -5.408 11.468 -4.940 1.00 0.00 C ATOM 1012 NZ LYS A 66 -6.563 12.192 -5.539 1.00 0.00 N ATOM 0 H LYS A 66 -0.316 10.835 -6.418 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.753 13.065 -6.497 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.941 11.289 -4.203 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.910 12.709 -3.862 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.723 10.679 -5.962 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.149 10.493 -4.272 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.979 13.031 -4.580 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.093 12.539 -6.258 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.376 10.450 -5.330 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.547 11.392 -3.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.444 11.685 -5.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.609 13.155 -5.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.444 12.242 -6.571 1.00 0.00 H new ATOM 1026 N TYR A 67 0.796 13.694 -4.473 1.00 0.00 N ATOM 1027 CA TYR A 67 1.599 14.771 -3.905 1.00 0.00 C ATOM 1028 C TYR A 67 2.127 15.692 -5.001 1.00 0.00 C ATOM 1029 O TYR A 67 1.954 16.910 -4.940 1.00 0.00 O ATOM 1030 CB TYR A 67 2.766 14.196 -3.101 1.00 0.00 C ATOM 1031 CG TYR A 67 2.399 13.825 -1.682 1.00 0.00 C ATOM 1032 CD1 TYR A 67 1.687 12.664 -1.407 1.00 0.00 C ATOM 1033 CD2 TYR A 67 2.765 14.637 -0.615 1.00 0.00 C ATOM 1034 CE1 TYR A 67 1.349 12.323 -0.112 1.00 0.00 C ATOM 1035 CE2 TYR A 67 2.432 14.303 0.684 1.00 0.00 C ATOM 1036 CZ TYR A 67 1.724 13.145 0.930 1.00 0.00 C ATOM 1037 OH TYR A 67 1.390 12.808 2.221 1.00 0.00 O ATOM 0 H TYR A 67 1.091 12.757 -4.198 1.00 0.00 H new ATOM 0 HA TYR A 67 0.961 15.354 -3.241 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.147 13.312 -3.612 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.576 14.926 -3.079 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.393 12.017 -2.220 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.319 15.544 -0.804 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.794 11.417 0.084 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.724 14.945 1.502 1.00 0.00 H new ATOM 0 HH TYR A 67 1.730 13.492 2.836 1.00 0.00 H new ATOM 1047 N ARG A 68 2.771 15.101 -6.002 1.00 0.00 N ATOM 1048 CA ARG A 68 3.325 15.868 -7.112 1.00 0.00 C ATOM 1049 C ARG A 68 2.262 16.767 -7.737 1.00 0.00 C ATOM 1050 O ARG A 68 2.497 17.952 -7.975 1.00 0.00 O ATOM 1051 CB ARG A 68 3.900 14.927 -8.172 1.00 0.00 C ATOM 1052 CG ARG A 68 4.808 15.621 -9.174 1.00 0.00 C ATOM 1053 CD ARG A 68 4.007 16.388 -10.214 1.00 0.00 C ATOM 1054 NE ARG A 68 4.771 16.610 -11.439 1.00 0.00 N ATOM 1055 CZ ARG A 68 5.778 17.472 -11.532 1.00 0.00 C ATOM 1056 NH1 ARG A 68 6.140 18.189 -10.477 1.00 0.00 N ATOM 1057 NH2 ARG A 68 6.424 17.617 -12.681 1.00 0.00 N ATOM 0 H ARG A 68 2.922 14.094 -6.067 1.00 0.00 H new ATOM 0 HA ARG A 68 4.125 16.498 -6.722 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.459 14.134 -7.676 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.078 14.451 -8.708 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.475 16.305 -8.649 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.437 14.881 -9.670 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.097 15.837 -10.449 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.700 17.348 -9.799 1.00 0.00 H new ATOM 0 HE ARG A 68 4.518 16.074 -12.269 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.645 18.079 -9.592 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.913 18.850 -10.551 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.148 17.067 -13.494 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.197 18.279 -12.752 1.00 0.00 H new ATOM 1071 N LEU A 69 1.092 16.195 -8.000 1.00 0.00 N ATOM 1072 CA LEU A 69 -0.008 16.944 -8.598 1.00 0.00 C ATOM 1073 C LEU A 69 -0.267 18.237 -7.831 1.00 0.00 C ATOM 1074 O LEU A 69 -0.533 19.281 -8.426 1.00 0.00 O ATOM 1075 CB LEU A 69 -1.278 16.091 -8.624 1.00 0.00 C ATOM 1076 CG LEU A 69 -1.206 14.806 -9.450 1.00 0.00 C ATOM 1077 CD1 LEU A 69 -2.478 13.991 -9.281 1.00 0.00 C ATOM 1078 CD2 LEU A 69 -0.968 15.129 -10.918 1.00 0.00 C ATOM 0 H LEU A 69 0.881 15.216 -7.809 1.00 0.00 H new ATOM 0 HA LEU A 69 0.273 17.199 -9.620 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.535 15.826 -7.598 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.094 16.702 -9.009 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.367 14.211 -9.089 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.408 13.080 -9.876 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.606 13.729 -8.231 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.333 14.578 -9.615 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.919 14.203 -11.491 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.786 15.745 -11.292 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.028 15.671 -11.024 1.00 0.00 H new ATOM 1090 N MET A 70 -0.184 18.160 -6.506 1.00 0.00 N ATOM 1091 CA MET A 70 -0.405 19.326 -5.658 1.00 0.00 C ATOM 1092 C MET A 70 0.783 20.279 -5.723 1.00 0.00 C ATOM 1093 O MET A 70 0.642 21.479 -5.491 1.00 0.00 O ATOM 1094 CB MET A 70 -0.647 18.891 -4.211 1.00 0.00 C ATOM 1095 CG MET A 70 -1.176 20.005 -3.323 1.00 0.00 C ATOM 1096 SD MET A 70 -1.350 19.498 -1.601 1.00 0.00 S ATOM 1097 CE MET A 70 0.351 19.590 -1.048 1.00 0.00 C ATOM 0 H MET A 70 0.034 17.303 -5.997 1.00 0.00 H new ATOM 0 HA MET A 70 -1.288 19.850 -6.025 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.356 18.063 -4.203 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.287 18.516 -3.792 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.502 20.860 -3.380 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.144 20.336 -3.700 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.403 19.339 0.011 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.958 18.886 -1.618 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.729 20.601 -1.200 1.00 0.00 H new ATOM 1107 N GLY A 71 1.955 19.737 -6.041 1.00 0.00 N ATOM 1108 CA GLY A 71 3.151 20.554 -6.130 1.00 0.00 C ATOM 1109 C GLY A 71 4.369 19.865 -5.546 1.00 0.00 C ATOM 1110 O GLY A 71 5.489 20.068 -6.016 1.00 0.00 O ATOM 0 H GLY A 71 2.097 18.746 -6.239 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.342 20.800 -7.175 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.984 21.495 -5.606 1.00 0.00 H new ATOM 1114 N ILE A 72 4.151 19.051 -4.519 1.00 0.00 N ATOM 1115 CA ILE A 72 5.240 18.332 -3.871 1.00 0.00 C ATOM 1116 C ILE A 72 5.713 17.162 -4.728 1.00 0.00 C ATOM 1117 O ILE A 72 5.183 16.055 -4.631 1.00 0.00 O ATOM 1118 CB ILE A 72 4.820 17.802 -2.487 1.00 0.00 C ATOM 1119 CG1 ILE A 72 4.355 18.956 -1.595 1.00 0.00 C ATOM 1120 CG2 ILE A 72 5.971 17.052 -1.835 1.00 0.00 C ATOM 1121 CD1 ILE A 72 3.650 18.500 -0.337 1.00 0.00 C ATOM 0 H ILE A 72 3.230 18.873 -4.118 1.00 0.00 H new ATOM 0 HA ILE A 72 6.057 19.043 -3.747 1.00 0.00 H new ATOM 0 HB ILE A 72 3.988 17.109 -2.616 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.218 19.562 -1.319 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.684 19.598 -2.166 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.658 16.684 -0.858 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.260 16.210 -2.464 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.821 17.724 -1.715 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.348 19.370 0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.768 17.919 -0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.325 17.882 0.255 1.00 0.00 H new ATOM 1133 N GLU A 73 6.713 17.416 -5.565 1.00 0.00 N ATOM 1134 CA GLU A 73 7.258 16.383 -6.439 1.00 0.00 C ATOM 1135 C GLU A 73 8.103 15.390 -5.646 1.00 0.00 C ATOM 1136 O GLU A 73 9.049 15.773 -4.957 1.00 0.00 O ATOM 1137 CB GLU A 73 8.102 17.015 -7.548 1.00 0.00 C ATOM 1138 CG GLU A 73 9.417 17.595 -7.057 1.00 0.00 C ATOM 1139 CD GLU A 73 10.527 16.563 -7.005 1.00 0.00 C ATOM 1140 OE1 GLU A 73 10.508 15.629 -7.833 1.00 0.00 O ATOM 1141 OE2 GLU A 73 11.414 16.691 -6.136 1.00 0.00 O ATOM 0 H GLU A 73 7.162 18.327 -5.657 1.00 0.00 H new ATOM 0 HA GLU A 73 6.423 15.846 -6.889 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.308 16.263 -8.309 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.523 17.804 -8.028 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.717 18.412 -7.713 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.274 18.020 -6.063 1.00 0.00 H new ATOM 1148 N VAL A 74 7.753 14.111 -5.747 1.00 0.00 N ATOM 1149 CA VAL A 74 8.478 13.062 -5.040 1.00 0.00 C ATOM 1150 C VAL A 74 8.739 11.867 -5.949 1.00 0.00 C ATOM 1151 O VAL A 74 7.881 11.476 -6.740 1.00 0.00 O ATOM 1152 CB VAL A 74 7.706 12.587 -3.795 1.00 0.00 C ATOM 1153 CG1 VAL A 74 6.301 12.146 -4.174 1.00 0.00 C ATOM 1154 CG2 VAL A 74 8.458 11.462 -3.099 1.00 0.00 C ATOM 0 H VAL A 74 6.972 13.777 -6.312 1.00 0.00 H new ATOM 0 HA VAL A 74 9.430 13.491 -4.726 1.00 0.00 H new ATOM 0 HB VAL A 74 7.623 13.422 -3.100 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.771 11.814 -3.282 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.766 12.982 -4.624 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.358 11.325 -4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.898 11.139 -2.221 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.574 10.623 -3.785 1.00 0.00 H new ATOM 0 HG23 VAL A 74 9.441 11.818 -2.791 1.00 0.00 H new ATOM 1164 N SER A 75 9.930 11.288 -5.830 1.00 0.00 N ATOM 1165 CA SER A 75 10.307 10.138 -6.644 1.00 0.00 C ATOM 1166 C SER A 75 10.785 8.985 -5.767 1.00 0.00 C ATOM 1167 O SER A 75 10.254 7.878 -5.834 1.00 0.00 O ATOM 1168 CB SER A 75 11.403 10.527 -7.638 1.00 0.00 C ATOM 1169 OG SER A 75 12.531 11.062 -6.969 1.00 0.00 O ATOM 0 H SER A 75 10.651 11.597 -5.177 1.00 0.00 H new ATOM 0 HA SER A 75 9.426 9.810 -7.196 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.700 9.653 -8.217 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.014 11.260 -8.345 1.00 0.00 H new ATOM 0 HG SER A 75 13.218 11.301 -7.626 1.00 0.00 H new ATOM 1175 N GLY A 76 11.793 9.255 -4.943 1.00 0.00 N ATOM 1176 CA GLY A 76 12.327 8.232 -4.064 1.00 0.00 C ATOM 1177 C GLY A 76 12.809 8.796 -2.742 1.00 0.00 C ATOM 1178 O GLY A 76 12.443 9.903 -2.345 1.00 0.00 O ATOM 0 H GLY A 76 12.249 10.164 -4.869 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.559 7.481 -3.877 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.153 7.725 -4.562 1.00 0.00 H new ATOM 1182 N PRO A 77 13.650 8.026 -2.036 1.00 0.00 N ATOM 1183 CA PRO A 77 14.200 8.435 -0.740 1.00 0.00 C ATOM 1184 C PRO A 77 15.201 9.578 -0.870 1.00 0.00 C ATOM 1185 O PRO A 77 15.782 10.022 0.120 1.00 0.00 O ATOM 1186 CB PRO A 77 14.897 7.169 -0.235 1.00 0.00 C ATOM 1187 CG PRO A 77 15.230 6.402 -1.468 1.00 0.00 C ATOM 1188 CD PRO A 77 14.129 6.696 -2.449 1.00 0.00 C ATOM 0 HA PRO A 77 13.427 8.809 -0.069 1.00 0.00 H new ATOM 0 HB2 PRO A 77 15.794 7.412 0.335 1.00 0.00 H new ATOM 0 HB3 PRO A 77 14.246 6.595 0.425 1.00 0.00 H new ATOM 0 HG2 PRO A 77 16.198 6.705 -1.866 1.00 0.00 H new ATOM 0 HG3 PRO A 77 15.291 5.334 -1.259 1.00 0.00 H new ATOM 0 HD2 PRO A 77 14.496 6.702 -3.475 1.00 0.00 H new ATOM 0 HD3 PRO A 77 13.336 5.950 -2.399 1.00 0.00 H new ATOM 1196 N SER A 78 15.397 10.050 -2.097 1.00 0.00 N ATOM 1197 CA SER A 78 16.330 11.140 -2.356 1.00 0.00 C ATOM 1198 C SER A 78 15.584 12.420 -2.721 1.00 0.00 C ATOM 1199 O SER A 78 14.633 12.396 -3.502 1.00 0.00 O ATOM 1200 CB SER A 78 17.292 10.759 -3.483 1.00 0.00 C ATOM 1201 OG SER A 78 16.651 10.825 -4.745 1.00 0.00 O ATOM 0 H SER A 78 14.922 9.695 -2.927 1.00 0.00 H new ATOM 0 HA SER A 78 16.901 11.320 -1.445 1.00 0.00 H new ATOM 0 HB2 SER A 78 18.152 11.429 -3.473 1.00 0.00 H new ATOM 0 HB3 SER A 78 17.671 9.751 -3.316 1.00 0.00 H new ATOM 0 HG SER A 78 17.287 10.579 -5.448 1.00 0.00 H new ATOM 1207 N SER A 79 16.022 13.536 -2.148 1.00 0.00 N ATOM 1208 CA SER A 79 15.393 14.826 -2.408 1.00 0.00 C ATOM 1209 C SER A 79 16.277 15.690 -3.303 1.00 0.00 C ATOM 1210 O SER A 79 17.451 15.388 -3.513 1.00 0.00 O ATOM 1211 CB SER A 79 15.112 15.556 -1.093 1.00 0.00 C ATOM 1212 OG SER A 79 16.318 15.922 -0.446 1.00 0.00 O ATOM 0 H SER A 79 16.810 13.573 -1.501 1.00 0.00 H new ATOM 0 HA SER A 79 14.450 14.645 -2.923 1.00 0.00 H new ATOM 0 HB2 SER A 79 14.515 16.447 -1.288 1.00 0.00 H new ATOM 0 HB3 SER A 79 14.523 14.916 -0.436 1.00 0.00 H new ATOM 0 HG SER A 79 16.112 16.388 0.391 1.00 0.00 H new ATOM 1218 N GLY A 80 15.703 16.768 -3.829 1.00 0.00 N ATOM 1219 CA GLY A 80 16.451 17.659 -4.696 1.00 0.00 C ATOM 1220 C GLY A 80 16.804 17.017 -6.022 1.00 0.00 C ATOM 1221 O GLY A 80 17.967 16.704 -6.278 1.00 0.00 O ATOM 0 H GLY A 80 14.733 17.040 -3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 80 15.866 18.561 -4.877 1.00 0.00 H new ATOM 0 HA3 GLY A 80 17.366 17.969 -4.191 1.00 0.00 H new TER 1225 GLY A 80