USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 849 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 84 MET CE :methyl -118:sc= -0.264 (180deg=-0.00143) USER MOD Set 1.2: A 86 CYS SG : rot 86:sc= -2.64 USER MOD Set 2.1: A 50 ASN : amide:sc= -0.762 K(o=-0.79,f=0) USER MOD Set 2.2: A 69 MET CE :methyl -174:sc= -0.0308 (180deg=0) USER MOD Set 3.1: A 46 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 96 TYR OH : rot 180:sc= -0.107 USER MOD Set 4.1: A 28 ASN : amide:sc= -0.242 K(o=0.013,f=-0.83) USER MOD Set 4.2: A 35 THR OG1 : rot 79:sc= 0.161 USER MOD Set 4.3: A 76 LYS NZ :NH3+ 167:sc= 0.0943 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 28:sc= 0.847 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 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 33:sc= 0.229 USER MOD Single : A 16 CYS SG : rot -3:sc= -0.0254 USER MOD Single : A 22 ASN : amide:sc= -1.12 K(o=-1.1,f=-3.5!) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.6 USER MOD Single : A 31 LYS NZ :NH3+ -119:sc= 0.854 (180deg=-0.193) USER MOD Single : A 32 ASN : amide:sc= -1.93 K(o=-1.9,f=-7.2!) USER MOD Single : A 33 SER OG : rot -16:sc= 0.362 USER MOD Single : A 37 GLN : amide:sc= -0.441 K(o=-0.44,f=-1.9) USER MOD Single : A 39 LYS NZ :NH3+ 158:sc= -0.0963 (180deg=-0.759) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -3.07 X(o=-3.1,f=-3.3!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.787 K(o=-0.79,f=-0.0057) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc=-0.00367 X(o=-0.0037,f=-0.016) USER MOD Single : A 67 CYS SG : rot 109:sc= 0.64 USER MOD Single : A 68 TYR OH : rot 180:sc= -0.97 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0358 X(o=-0.036,f=-0.038) USER MOD Single : A 73 LYS NZ :NH3+ 141:sc= -0.668 (180deg=-2.43!) USER MOD Single : A 74 GLN : amide:sc= -0.0573 K(o=-0.057,f=-1.4!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.00169 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -136:sc= -0.244 (180deg=-1.17) USER MOD Single : A 91 SER OG : rot -141:sc= 1.59 USER MOD Single : A 94 ASN : amide:sc= -0.861 K(o=-0.86,f=-11!) USER MOD Single : A 98 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 99 SER OG : rot -61:sc= 0.189 USER MOD Single : A 102 SER OG : rot 180:sc= 0.468 USER MOD Single : A 107 TYR OH : rot 168:sc= -0.888 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -169:sc= 1.22 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 CYS SG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.584 33.445 25.955 1.00 0.00 N ATOM 2 CA GLY A 1 -17.526 32.798 25.201 1.00 0.00 C ATOM 3 C GLY A 1 -17.507 33.225 23.746 1.00 0.00 C ATOM 4 O GLY A 1 -18.555 33.332 23.110 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.555 33.120 26.943 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.451 34.476 25.925 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.505 33.203 25.538 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.564 33.031 25.657 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.652 31.717 25.258 1.00 0.00 H new ATOM 8 N SER A 2 -16.311 33.471 23.220 1.00 0.00 N ATOM 9 CA SER A 2 -16.160 33.894 21.832 1.00 0.00 C ATOM 10 C SER A 2 -14.726 33.684 21.354 1.00 0.00 C ATOM 11 O SER A 2 -13.774 34.121 22.000 1.00 0.00 O ATOM 12 CB SER A 2 -16.549 35.366 21.681 1.00 0.00 C ATOM 13 OG SER A 2 -17.030 35.634 20.375 1.00 0.00 O ATOM 0 H SER A 2 -15.434 33.385 23.733 1.00 0.00 H new ATOM 0 HA SER A 2 -16.823 33.285 21.217 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.315 35.620 22.414 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.685 35.997 21.891 1.00 0.00 H new ATOM 0 HG SER A 2 -17.274 36.581 20.304 1.00 0.00 H new ATOM 19 N SER A 3 -14.582 33.012 20.216 1.00 0.00 N ATOM 20 CA SER A 3 -13.265 32.740 19.652 1.00 0.00 C ATOM 21 C SER A 3 -13.367 32.425 18.162 1.00 0.00 C ATOM 22 O SER A 3 -14.463 32.302 17.616 1.00 0.00 O ATOM 23 CB SER A 3 -12.603 31.573 20.387 1.00 0.00 C ATOM 24 OG SER A 3 -11.982 32.010 21.583 1.00 0.00 O ATOM 0 H SER A 3 -15.360 32.646 19.667 1.00 0.00 H new ATOM 0 HA SER A 3 -12.652 33.633 19.776 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.350 30.814 20.618 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.862 31.104 19.739 1.00 0.00 H new ATOM 0 HG SER A 3 -12.443 32.807 21.918 1.00 0.00 H new ATOM 30 N GLY A 4 -12.215 32.296 17.510 1.00 0.00 N ATOM 31 CA GLY A 4 -12.196 31.997 16.090 1.00 0.00 C ATOM 32 C GLY A 4 -10.793 31.768 15.565 1.00 0.00 C ATOM 33 O GLY A 4 -10.314 32.511 14.708 1.00 0.00 O ATOM 0 H GLY A 4 -11.295 32.393 17.940 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.801 31.110 15.900 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.656 32.820 15.542 1.00 0.00 H new ATOM 37 N SER A 5 -10.130 30.738 16.081 1.00 0.00 N ATOM 38 CA SER A 5 -8.771 30.416 15.663 1.00 0.00 C ATOM 39 C SER A 5 -8.713 30.149 14.162 1.00 0.00 C ATOM 40 O SER A 5 -9.729 29.853 13.533 1.00 0.00 O ATOM 41 CB SER A 5 -8.254 29.197 16.429 1.00 0.00 C ATOM 42 OG SER A 5 -9.047 28.054 16.164 1.00 0.00 O ATOM 0 H SER A 5 -10.512 30.112 16.790 1.00 0.00 H new ATOM 0 HA SER A 5 -8.136 31.273 15.887 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.220 28.999 16.148 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.259 29.407 17.499 1.00 0.00 H new ATOM 0 HG SER A 5 -8.695 27.288 16.664 1.00 0.00 H new ATOM 48 N SER A 6 -7.516 30.257 13.594 1.00 0.00 N ATOM 49 CA SER A 6 -7.325 30.032 12.166 1.00 0.00 C ATOM 50 C SER A 6 -5.881 29.641 11.866 1.00 0.00 C ATOM 51 O SER A 6 -4.977 29.907 12.657 1.00 0.00 O ATOM 52 CB SER A 6 -7.700 31.287 11.375 1.00 0.00 C ATOM 53 OG SER A 6 -6.753 32.322 11.582 1.00 0.00 O ATOM 0 H SER A 6 -6.664 30.499 14.101 1.00 0.00 H new ATOM 0 HA SER A 6 -7.976 29.212 11.863 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.756 31.048 10.313 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.690 31.629 11.678 1.00 0.00 H new ATOM 0 HG SER A 6 -7.014 33.112 11.065 1.00 0.00 H new ATOM 59 N GLY A 7 -5.673 29.006 10.717 1.00 0.00 N ATOM 60 CA GLY A 7 -4.337 28.587 10.332 1.00 0.00 C ATOM 61 C GLY A 7 -4.278 28.080 8.904 1.00 0.00 C ATOM 62 O GLY A 7 -4.852 27.040 8.583 1.00 0.00 O ATOM 0 H GLY A 7 -6.405 28.774 10.046 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.650 29.425 10.445 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.997 27.802 11.007 1.00 0.00 H new ATOM 66 N ALA A 8 -3.582 28.818 8.045 1.00 0.00 N ATOM 67 CA ALA A 8 -3.449 28.437 6.644 1.00 0.00 C ATOM 68 C ALA A 8 -2.011 28.053 6.314 1.00 0.00 C ATOM 69 O ALA A 8 -1.130 28.118 7.170 1.00 0.00 O ATOM 70 CB ALA A 8 -3.915 29.570 5.743 1.00 0.00 C ATOM 0 H ALA A 8 -3.102 29.683 8.295 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.079 27.565 6.468 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -3.810 29.272 4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.961 29.795 5.953 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.309 30.456 5.930 1.00 0.00 H new ATOM 76 N GLU A 9 -1.782 27.651 5.067 1.00 0.00 N ATOM 77 CA GLU A 9 -0.450 27.255 4.626 1.00 0.00 C ATOM 78 C GLU A 9 0.176 28.335 3.747 1.00 0.00 C ATOM 79 O GLU A 9 -0.410 28.753 2.748 1.00 0.00 O ATOM 80 CB GLU A 9 -0.515 25.932 3.859 1.00 0.00 C ATOM 81 CG GLU A 9 -0.570 24.709 4.758 1.00 0.00 C ATOM 82 CD GLU A 9 -0.107 23.447 4.056 1.00 0.00 C ATOM 83 OE1 GLU A 9 1.030 23.438 3.540 1.00 0.00 O ATOM 84 OE2 GLU A 9 -0.882 22.469 4.023 1.00 0.00 O ATOM 0 H GLU A 9 -2.501 27.591 4.346 1.00 0.00 H new ATOM 0 HA GLU A 9 0.174 27.124 5.510 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.394 25.938 3.214 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.357 25.856 3.209 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.052 24.880 5.637 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.591 24.569 5.113 1.00 0.00 H new ATOM 91 N ILE A 10 1.368 28.781 4.128 1.00 0.00 N ATOM 92 CA ILE A 10 2.073 29.811 3.375 1.00 0.00 C ATOM 93 C ILE A 10 1.875 29.628 1.874 1.00 0.00 C ATOM 94 O ILE A 10 1.682 28.510 1.395 1.00 0.00 O ATOM 95 CB ILE A 10 3.581 29.804 3.688 1.00 0.00 C ATOM 96 CG1 ILE A 10 4.282 28.696 2.899 1.00 0.00 C ATOM 97 CG2 ILE A 10 3.811 29.626 5.181 1.00 0.00 C ATOM 98 CD1 ILE A 10 3.793 27.307 3.244 1.00 0.00 C ATOM 0 H ILE A 10 1.866 28.446 4.953 1.00 0.00 H new ATOM 0 HA ILE A 10 1.652 30.769 3.680 1.00 0.00 H new ATOM 0 HB ILE A 10 4.005 30.762 3.387 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.134 28.870 1.833 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.355 28.751 3.085 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.881 29.623 5.386 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.340 30.447 5.722 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.377 28.681 5.506 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.333 26.572 2.647 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.966 27.113 4.302 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.726 27.233 3.031 1.00 0.00 H new ATOM 110 N PHE A 11 1.927 30.732 1.137 1.00 0.00 N ATOM 111 CA PHE A 11 1.755 30.693 -0.311 1.00 0.00 C ATOM 112 C PHE A 11 3.106 30.644 -1.018 1.00 0.00 C ATOM 113 O PHE A 11 3.299 29.876 -1.962 1.00 0.00 O ATOM 114 CB PHE A 11 0.963 31.914 -0.784 1.00 0.00 C ATOM 115 CG PHE A 11 1.257 32.305 -2.205 1.00 0.00 C ATOM 116 CD1 PHE A 11 2.330 33.129 -2.502 1.00 0.00 C ATOM 117 CD2 PHE A 11 0.459 31.849 -3.242 1.00 0.00 C ATOM 118 CE1 PHE A 11 2.604 33.490 -3.808 1.00 0.00 C ATOM 119 CE2 PHE A 11 0.728 32.206 -4.549 1.00 0.00 C ATOM 120 CZ PHE A 11 1.801 33.029 -4.833 1.00 0.00 C ATOM 0 H PHE A 11 2.087 31.665 1.518 1.00 0.00 H new ATOM 0 HA PHE A 11 1.201 29.789 -0.562 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.103 31.707 -0.686 1.00 0.00 H new ATOM 0 HB3 PHE A 11 1.185 32.757 -0.130 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.960 33.494 -1.704 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.383 31.207 -3.026 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.445 34.132 -4.027 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.100 31.842 -5.349 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.011 33.311 -5.854 1.00 0.00 H new ATOM 130 N THR A 12 4.040 31.469 -0.556 1.00 0.00 N ATOM 131 CA THR A 12 5.373 31.522 -1.144 1.00 0.00 C ATOM 132 C THR A 12 5.819 30.144 -1.620 1.00 0.00 C ATOM 133 O THR A 12 6.362 29.999 -2.715 1.00 0.00 O ATOM 134 CB THR A 12 6.408 32.066 -0.141 1.00 0.00 C ATOM 135 OG1 THR A 12 7.698 32.136 -0.759 1.00 0.00 O ATOM 136 CG2 THR A 12 6.480 31.182 1.095 1.00 0.00 C ATOM 0 H THR A 12 3.898 32.110 0.224 1.00 0.00 H new ATOM 0 HA THR A 12 5.315 32.197 -1.998 1.00 0.00 H new ATOM 0 HB THR A 12 6.096 33.065 0.164 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.350 32.484 -0.116 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.217 31.586 1.789 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.504 31.153 1.579 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.771 30.173 0.804 1.00 0.00 H new ATOM 144 N THR A 13 5.584 29.132 -0.790 1.00 0.00 N ATOM 145 CA THR A 13 5.962 27.765 -1.127 1.00 0.00 C ATOM 146 C THR A 13 4.874 26.778 -0.720 1.00 0.00 C ATOM 147 O THR A 13 4.263 26.914 0.341 1.00 0.00 O ATOM 148 CB THR A 13 7.284 27.364 -0.445 1.00 0.00 C ATOM 149 OG1 THR A 13 7.173 27.523 0.973 1.00 0.00 O ATOM 150 CG2 THR A 13 8.439 28.206 -0.966 1.00 0.00 C ATOM 0 H THR A 13 5.134 29.233 0.120 1.00 0.00 H new ATOM 0 HA THR A 13 6.094 27.731 -2.208 1.00 0.00 H new ATOM 0 HB THR A 13 7.484 26.318 -0.678 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.017 27.264 1.398 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.362 27.905 -0.470 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.540 28.059 -2.041 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.244 29.258 -0.761 1.00 0.00 H new ATOM 158 N LEU A 14 4.637 25.784 -1.568 1.00 0.00 N ATOM 159 CA LEU A 14 3.622 24.772 -1.296 1.00 0.00 C ATOM 160 C LEU A 14 4.238 23.377 -1.261 1.00 0.00 C ATOM 161 O LEU A 14 4.971 22.989 -2.171 1.00 0.00 O ATOM 162 CB LEU A 14 2.520 24.828 -2.356 1.00 0.00 C ATOM 163 CG LEU A 14 2.968 24.611 -3.802 1.00 0.00 C ATOM 164 CD1 LEU A 14 1.787 24.210 -4.672 1.00 0.00 C ATOM 165 CD2 LEU A 14 3.634 25.865 -4.348 1.00 0.00 C ATOM 0 H LEU A 14 5.134 25.657 -2.450 1.00 0.00 H new ATOM 0 HA LEU A 14 3.189 24.982 -0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.770 24.075 -2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.030 25.799 -2.291 1.00 0.00 H new ATOM 0 HG LEU A 14 3.697 23.801 -3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.125 24.060 -5.697 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.354 23.284 -4.293 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.034 24.998 -4.650 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.946 25.692 -5.378 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.928 26.695 -4.317 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.506 26.108 -3.740 1.00 0.00 H new ATOM 177 N SER A 15 3.935 22.627 -0.207 1.00 0.00 N ATOM 178 CA SER A 15 4.461 21.276 -0.052 1.00 0.00 C ATOM 179 C SER A 15 3.583 20.456 0.888 1.00 0.00 C ATOM 180 O SER A 15 3.416 20.802 2.058 1.00 0.00 O ATOM 181 CB SER A 15 5.895 21.322 0.479 1.00 0.00 C ATOM 182 OG SER A 15 5.979 22.111 1.653 1.00 0.00 O ATOM 0 H SER A 15 3.327 22.932 0.553 1.00 0.00 H new ATOM 0 HA SER A 15 4.460 20.797 -1.031 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.240 20.310 0.692 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.556 21.730 -0.285 1.00 0.00 H new ATOM 0 HG SER A 15 5.145 22.031 2.161 1.00 0.00 H new ATOM 188 N CYS A 16 3.026 19.368 0.369 1.00 0.00 N ATOM 189 CA CYS A 16 2.164 18.498 1.161 1.00 0.00 C ATOM 190 C CYS A 16 2.369 17.035 0.778 1.00 0.00 C ATOM 191 O CYS A 16 2.672 16.722 -0.373 1.00 0.00 O ATOM 192 CB CYS A 16 0.698 18.887 0.971 1.00 0.00 C ATOM 193 SG CYS A 16 0.319 20.591 1.441 1.00 0.00 S ATOM 0 H CYS A 16 3.156 19.067 -0.597 1.00 0.00 H new ATOM 0 HA CYS A 16 2.431 18.621 2.211 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.427 18.741 -0.075 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.075 18.212 1.559 1.00 0.00 H new ATOM 0 HG CYS A 16 1.386 21.155 1.924 1.00 0.00 H new ATOM 199 N GLU A 17 2.202 16.145 1.751 1.00 0.00 N ATOM 200 CA GLU A 17 2.371 14.716 1.515 1.00 0.00 C ATOM 201 C GLU A 17 1.564 14.266 0.301 1.00 0.00 C ATOM 202 O GLU A 17 0.537 14.850 -0.045 1.00 0.00 O ATOM 203 CB GLU A 17 1.944 13.919 2.749 1.00 0.00 C ATOM 204 CG GLU A 17 0.561 14.285 3.262 1.00 0.00 C ATOM 205 CD GLU A 17 -0.546 13.565 2.518 1.00 0.00 C ATOM 206 OE1 GLU A 17 -0.708 12.345 2.731 1.00 0.00 O ATOM 207 OE2 GLU A 17 -1.252 14.221 1.724 1.00 0.00 O ATOM 0 H GLU A 17 1.950 16.388 2.709 1.00 0.00 H new ATOM 0 HA GLU A 17 3.426 14.529 1.318 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.964 12.856 2.509 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.672 14.080 3.545 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.496 14.045 4.323 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.416 15.361 3.169 1.00 0.00 H new ATOM 214 N PRO A 18 2.039 13.202 -0.363 1.00 0.00 N ATOM 215 CA PRO A 18 1.378 12.649 -1.549 1.00 0.00 C ATOM 216 C PRO A 18 0.055 11.971 -1.212 1.00 0.00 C ATOM 217 O PRO A 18 -0.374 11.965 -0.058 1.00 0.00 O ATOM 218 CB PRO A 18 2.387 11.623 -2.072 1.00 0.00 C ATOM 219 CG PRO A 18 3.182 11.230 -0.875 1.00 0.00 C ATOM 220 CD PRO A 18 3.258 12.456 -0.007 1.00 0.00 C ATOM 0 HA PRO A 18 1.124 13.424 -2.272 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.884 10.763 -2.513 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.023 12.052 -2.846 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.706 10.405 -0.344 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.178 10.893 -1.162 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.276 12.198 1.052 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.158 13.037 -0.209 1.00 0.00 H new ATOM 228 N ASP A 19 -0.587 11.400 -2.225 1.00 0.00 N ATOM 229 CA ASP A 19 -1.861 10.717 -2.035 1.00 0.00 C ATOM 230 C ASP A 19 -1.646 9.299 -1.517 1.00 0.00 C ATOM 231 O ASP A 19 -0.625 8.672 -1.801 1.00 0.00 O ATOM 232 CB ASP A 19 -2.645 10.680 -3.349 1.00 0.00 C ATOM 233 CG ASP A 19 -4.126 10.440 -3.132 1.00 0.00 C ATOM 234 OD1 ASP A 19 -4.644 10.846 -2.071 1.00 0.00 O ATOM 235 OD2 ASP A 19 -4.768 9.845 -4.024 1.00 0.00 O ATOM 0 H ASP A 19 -0.246 11.397 -3.186 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.435 11.272 -1.293 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.506 11.623 -3.878 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.242 9.894 -3.987 1.00 0.00 H new ATOM 240 N ILE A 20 -2.614 8.799 -0.755 1.00 0.00 N ATOM 241 CA ILE A 20 -2.529 7.455 -0.197 1.00 0.00 C ATOM 242 C ILE A 20 -2.699 6.398 -1.283 1.00 0.00 C ATOM 243 O ILE A 20 -3.750 6.282 -1.913 1.00 0.00 O ATOM 244 CB ILE A 20 -3.594 7.231 0.893 1.00 0.00 C ATOM 245 CG1 ILE A 20 -3.502 8.325 1.959 1.00 0.00 C ATOM 246 CG2 ILE A 20 -3.426 5.856 1.522 1.00 0.00 C ATOM 247 CD1 ILE A 20 -4.765 8.478 2.777 1.00 0.00 C ATOM 0 H ILE A 20 -3.465 9.304 -0.510 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.539 7.359 0.248 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.581 7.281 0.432 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.671 8.101 2.627 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.275 9.275 1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.186 5.712 2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.536 5.089 0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.436 5.780 1.972 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.628 9.271 3.513 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.596 8.733 2.119 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.982 7.541 3.290 1.00 0.00 H new ATOM 259 N PRO A 21 -1.640 5.605 -1.507 1.00 0.00 N ATOM 260 CA PRO A 21 -1.647 4.541 -2.514 1.00 0.00 C ATOM 261 C PRO A 21 -2.558 3.381 -2.126 1.00 0.00 C ATOM 262 O PRO A 21 -2.878 3.197 -0.953 1.00 0.00 O ATOM 263 CB PRO A 21 -0.187 4.083 -2.558 1.00 0.00 C ATOM 264 CG PRO A 21 0.359 4.433 -1.217 1.00 0.00 C ATOM 265 CD PRO A 21 -0.355 5.687 -0.793 1.00 0.00 C ATOM 0 HA PRO A 21 -2.027 4.892 -3.474 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -0.113 3.012 -2.749 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.362 4.587 -3.353 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.188 3.627 -0.504 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.436 4.594 -1.264 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.497 5.723 0.287 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.203 6.581 -1.071 1.00 0.00 H new ATOM 273 N ASN A 22 -2.971 2.600 -3.119 1.00 0.00 N ATOM 274 CA ASN A 22 -3.844 1.457 -2.881 1.00 0.00 C ATOM 275 C ASN A 22 -3.115 0.368 -2.101 1.00 0.00 C ATOM 276 O ASN A 22 -1.885 0.302 -2.081 1.00 0.00 O ATOM 277 CB ASN A 22 -4.356 0.894 -4.208 1.00 0.00 C ATOM 278 CG ASN A 22 -3.321 0.986 -5.312 1.00 0.00 C ATOM 279 OD1 ASN A 22 -2.228 0.429 -5.201 1.00 0.00 O ATOM 280 ND2 ASN A 22 -3.661 1.690 -6.385 1.00 0.00 N ATOM 0 H ASN A 22 -2.715 2.738 -4.097 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.692 1.798 -2.287 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.645 -0.148 -4.070 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.253 1.436 -4.508 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.006 1.786 -7.161 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.578 2.135 -6.434 1.00 0.00 H new ATOM 287 N PRO A 23 -3.889 -0.508 -1.443 1.00 0.00 N ATOM 288 CA PRO A 23 -3.338 -1.611 -0.650 1.00 0.00 C ATOM 289 C PRO A 23 -2.693 -2.685 -1.521 1.00 0.00 C ATOM 290 O PRO A 23 -3.173 -3.008 -2.608 1.00 0.00 O ATOM 291 CB PRO A 23 -4.563 -2.175 0.073 1.00 0.00 C ATOM 292 CG PRO A 23 -5.717 -1.808 -0.795 1.00 0.00 C ATOM 293 CD PRO A 23 -5.361 -0.489 -1.423 1.00 0.00 C ATOM 0 HA PRO A 23 -2.547 -1.275 0.021 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.488 -3.255 0.196 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.666 -1.747 1.070 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.890 -2.569 -1.556 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.634 -1.727 -0.211 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.776 -0.397 -2.427 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.744 0.350 -0.842 1.00 0.00 H new ATOM 301 N PRO A 24 -1.580 -3.253 -1.034 1.00 0.00 N ATOM 302 CA PRO A 24 -0.846 -4.300 -1.751 1.00 0.00 C ATOM 303 C PRO A 24 -1.614 -5.616 -1.800 1.00 0.00 C ATOM 304 O PRO A 24 -2.358 -5.946 -0.877 1.00 0.00 O ATOM 305 CB PRO A 24 0.437 -4.459 -0.932 1.00 0.00 C ATOM 306 CG PRO A 24 0.070 -4.005 0.439 1.00 0.00 C ATOM 307 CD PRO A 24 -0.952 -2.917 0.255 1.00 0.00 C ATOM 0 HA PRO A 24 -0.671 -4.034 -2.794 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.778 -5.494 -0.928 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.247 -3.858 -1.345 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.337 -4.828 1.027 1.00 0.00 H new ATOM 0 HG3 PRO A 24 0.944 -3.633 0.974 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -1.680 -2.908 1.066 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.489 -1.931 0.231 1.00 0.00 H new ATOM 315 N ARG A 25 -1.428 -6.365 -2.882 1.00 0.00 N ATOM 316 CA ARG A 25 -2.104 -7.645 -3.051 1.00 0.00 C ATOM 317 C ARG A 25 -1.124 -8.803 -2.888 1.00 0.00 C ATOM 318 O ARG A 25 0.086 -8.596 -2.793 1.00 0.00 O ATOM 319 CB ARG A 25 -2.770 -7.717 -4.426 1.00 0.00 C ATOM 320 CG ARG A 25 -1.824 -7.419 -5.578 1.00 0.00 C ATOM 321 CD ARG A 25 -2.306 -8.053 -6.873 1.00 0.00 C ATOM 322 NE ARG A 25 -2.030 -9.487 -6.916 1.00 0.00 N ATOM 323 CZ ARG A 25 -2.384 -10.273 -7.927 1.00 0.00 C ATOM 324 NH1 ARG A 25 -3.024 -9.767 -8.972 1.00 0.00 N ATOM 325 NH2 ARG A 25 -2.098 -11.568 -7.892 1.00 0.00 N ATOM 0 H ARG A 25 -0.814 -6.107 -3.655 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.869 -7.727 -2.279 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.194 -8.712 -4.563 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.599 -7.010 -4.456 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.738 -6.340 -5.710 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.828 -7.791 -5.338 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.378 -7.887 -6.981 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.821 -7.565 -7.718 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.539 -9.908 -6.127 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.246 -8.772 -9.001 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.294 -10.373 -9.747 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.606 -11.960 -7.089 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.370 -12.171 -8.668 1.00 0.00 H new ATOM 339 N ILE A 26 -1.655 -10.021 -2.857 1.00 0.00 N ATOM 340 CA ILE A 26 -0.827 -11.211 -2.706 1.00 0.00 C ATOM 341 C ILE A 26 -0.530 -11.849 -4.059 1.00 0.00 C ATOM 342 O ILE A 26 -1.443 -12.213 -4.799 1.00 0.00 O ATOM 343 CB ILE A 26 -1.501 -12.254 -1.796 1.00 0.00 C ATOM 344 CG1 ILE A 26 -1.238 -11.926 -0.325 1.00 0.00 C ATOM 345 CG2 ILE A 26 -1.000 -13.651 -2.130 1.00 0.00 C ATOM 346 CD1 ILE A 26 0.193 -12.166 0.102 1.00 0.00 C ATOM 0 H ILE A 26 -2.654 -10.209 -2.934 1.00 0.00 H new ATOM 0 HA ILE A 26 0.107 -10.889 -2.246 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.577 -12.224 -1.969 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.492 -10.882 -0.143 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.900 -12.528 0.297 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.486 -14.377 -1.478 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.234 -13.883 -3.169 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.079 -13.696 -1.982 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.306 -11.912 1.156 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.446 -13.216 -0.048 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.860 -11.543 -0.494 1.00 0.00 H new ATOM 358 N ALA A 27 0.754 -11.983 -4.374 1.00 0.00 N ATOM 359 CA ALA A 27 1.172 -12.581 -5.636 1.00 0.00 C ATOM 360 C ALA A 27 1.789 -13.958 -5.414 1.00 0.00 C ATOM 361 O ALA A 27 1.924 -14.746 -6.348 1.00 0.00 O ATOM 362 CB ALA A 27 2.157 -11.668 -6.352 1.00 0.00 C ATOM 0 H ALA A 27 1.523 -11.686 -3.773 1.00 0.00 H new ATOM 0 HA ALA A 27 0.288 -12.705 -6.261 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.461 -12.127 -7.293 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.683 -10.708 -6.553 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.034 -11.515 -5.723 1.00 0.00 H new ATOM 368 N ASN A 28 2.163 -14.239 -4.170 1.00 0.00 N ATOM 369 CA ASN A 28 2.768 -15.521 -3.825 1.00 0.00 C ATOM 370 C ASN A 28 3.005 -15.624 -2.322 1.00 0.00 C ATOM 371 O ASN A 28 3.776 -14.852 -1.750 1.00 0.00 O ATOM 372 CB ASN A 28 4.089 -15.703 -4.575 1.00 0.00 C ATOM 373 CG ASN A 28 4.489 -17.161 -4.695 1.00 0.00 C ATOM 374 OD1 ASN A 28 3.638 -18.041 -4.821 1.00 0.00 O ATOM 375 ND2 ASN A 28 5.791 -17.422 -4.656 1.00 0.00 N ATOM 0 H ASN A 28 2.058 -13.597 -3.384 1.00 0.00 H new ATOM 0 HA ASN A 28 2.078 -16.311 -4.121 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.001 -15.270 -5.571 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.876 -15.154 -4.058 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.121 -18.384 -4.732 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.461 -16.660 -4.550 1.00 0.00 H new ATOM 382 N ARG A 29 2.337 -16.582 -1.687 1.00 0.00 N ATOM 383 CA ARG A 29 2.475 -16.785 -0.250 1.00 0.00 C ATOM 384 C ARG A 29 2.578 -18.271 0.081 1.00 0.00 C ATOM 385 O ARG A 29 1.845 -19.094 -0.469 1.00 0.00 O ATOM 386 CB ARG A 29 1.286 -16.168 0.490 1.00 0.00 C ATOM 387 CG ARG A 29 -0.054 -16.764 0.093 1.00 0.00 C ATOM 388 CD ARG A 29 -1.051 -16.707 1.240 1.00 0.00 C ATOM 389 NE ARG A 29 -2.176 -17.616 1.033 1.00 0.00 N ATOM 390 CZ ARG A 29 -3.150 -17.391 0.158 1.00 0.00 C ATOM 391 NH1 ARG A 29 -3.137 -16.295 -0.587 1.00 0.00 N ATOM 392 NH2 ARG A 29 -4.140 -18.265 0.028 1.00 0.00 N ATOM 0 H ARG A 29 1.695 -17.229 -2.145 1.00 0.00 H new ATOM 0 HA ARG A 29 3.392 -16.293 0.075 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.429 -16.299 1.563 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.268 -15.095 0.300 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.454 -16.224 -0.765 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.085 -17.799 -0.219 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.546 -16.961 2.172 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.423 -15.688 1.347 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.216 -18.469 1.590 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.378 -15.621 -0.490 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.886 -16.125 -1.258 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.153 -19.109 0.600 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.888 -18.092 -0.644 1.00 0.00 H new ATOM 406 N THR A 30 3.493 -18.609 0.984 1.00 0.00 N ATOM 407 CA THR A 30 3.694 -19.995 1.388 1.00 0.00 C ATOM 408 C THR A 30 3.484 -20.167 2.888 1.00 0.00 C ATOM 409 O THR A 30 3.125 -19.220 3.587 1.00 0.00 O ATOM 410 CB THR A 30 5.105 -20.489 1.018 1.00 0.00 C ATOM 411 OG1 THR A 30 6.028 -20.160 2.063 1.00 0.00 O ATOM 412 CG2 THR A 30 5.571 -19.868 -0.290 1.00 0.00 C ATOM 0 H THR A 30 4.107 -17.941 1.450 1.00 0.00 H new ATOM 0 HA THR A 30 2.956 -20.591 0.851 1.00 0.00 H new ATOM 0 HB THR A 30 5.066 -21.571 0.894 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.923 -20.479 1.822 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.570 -20.232 -0.530 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.883 -20.143 -1.089 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.595 -18.783 -0.189 1.00 0.00 H new ATOM 420 N LYS A 31 3.711 -21.381 3.377 1.00 0.00 N ATOM 421 CA LYS A 31 3.548 -21.678 4.795 1.00 0.00 C ATOM 422 C LYS A 31 4.539 -20.878 5.635 1.00 0.00 C ATOM 423 O LYS A 31 4.280 -20.582 6.801 1.00 0.00 O ATOM 424 CB LYS A 31 3.740 -23.175 5.049 1.00 0.00 C ATOM 425 CG LYS A 31 2.921 -24.059 4.125 1.00 0.00 C ATOM 426 CD LYS A 31 1.552 -24.361 4.711 1.00 0.00 C ATOM 427 CE LYS A 31 1.628 -25.448 5.773 1.00 0.00 C ATOM 428 NZ LYS A 31 0.280 -25.973 6.126 1.00 0.00 N ATOM 0 H LYS A 31 4.009 -22.176 2.812 1.00 0.00 H new ATOM 0 HA LYS A 31 2.537 -21.393 5.087 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.795 -23.422 4.933 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.472 -23.397 6.082 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.804 -23.568 3.159 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.455 -24.992 3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.133 -23.454 5.147 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.876 -24.674 3.916 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.253 -26.265 5.412 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.108 -25.050 6.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.093 -25.799 7.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.441 -25.491 5.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.246 -26.995 5.939 1.00 0.00 H new ATOM 442 N ASN A 32 5.672 -20.530 5.034 1.00 0.00 N ATOM 443 CA ASN A 32 6.700 -19.763 5.727 1.00 0.00 C ATOM 444 C ASN A 32 7.213 -18.625 4.851 1.00 0.00 C ATOM 445 O ASN A 32 8.412 -18.346 4.816 1.00 0.00 O ATOM 446 CB ASN A 32 7.861 -20.675 6.130 1.00 0.00 C ATOM 447 CG ASN A 32 7.405 -21.860 6.958 1.00 0.00 C ATOM 448 OD1 ASN A 32 6.458 -22.558 6.595 1.00 0.00 O ATOM 449 ND2 ASN A 32 8.078 -22.093 8.079 1.00 0.00 N ATOM 0 H ASN A 32 5.901 -20.767 4.069 1.00 0.00 H new ATOM 0 HA ASN A 32 6.255 -19.334 6.625 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.365 -21.035 5.233 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.592 -20.099 6.697 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.816 -22.876 8.678 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.857 -21.489 8.341 1.00 0.00 H new ATOM 456 N SER A 33 6.298 -17.970 4.144 1.00 0.00 N ATOM 457 CA SER A 33 6.657 -16.864 3.265 1.00 0.00 C ATOM 458 C SER A 33 5.416 -16.094 2.825 1.00 0.00 C ATOM 459 O SER A 33 4.300 -16.613 2.872 1.00 0.00 O ATOM 460 CB SER A 33 7.410 -17.383 2.039 1.00 0.00 C ATOM 461 OG SER A 33 8.643 -17.976 2.410 1.00 0.00 O ATOM 0 H SER A 33 5.301 -18.187 4.163 1.00 0.00 H new ATOM 0 HA SER A 33 7.305 -16.187 3.821 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.795 -18.114 1.513 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.592 -16.562 1.346 1.00 0.00 H new ATOM 0 HG SER A 33 8.872 -17.709 3.325 1.00 0.00 H new ATOM 467 N LEU A 34 5.618 -14.853 2.397 1.00 0.00 N ATOM 468 CA LEU A 34 4.516 -14.009 1.948 1.00 0.00 C ATOM 469 C LEU A 34 5.005 -12.956 0.958 1.00 0.00 C ATOM 470 O LEU A 34 5.883 -12.152 1.272 1.00 0.00 O ATOM 471 CB LEU A 34 3.848 -13.329 3.144 1.00 0.00 C ATOM 472 CG LEU A 34 2.661 -14.071 3.760 1.00 0.00 C ATOM 473 CD1 LEU A 34 2.300 -13.473 5.111 1.00 0.00 C ATOM 474 CD2 LEU A 34 1.463 -14.034 2.822 1.00 0.00 C ATOM 0 H LEU A 34 6.535 -14.409 2.351 1.00 0.00 H new ATOM 0 HA LEU A 34 3.787 -14.644 1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.600 -13.180 3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.511 -12.340 2.833 1.00 0.00 H new ATOM 0 HG LEU A 34 2.947 -15.112 3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.453 -14.014 5.534 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.154 -13.552 5.784 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.034 -12.424 4.985 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.628 -14.567 3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.176 -12.998 2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.726 -14.510 1.877 1.00 0.00 H new ATOM 486 N THR A 35 4.428 -12.964 -0.240 1.00 0.00 N ATOM 487 CA THR A 35 4.804 -12.010 -1.276 1.00 0.00 C ATOM 488 C THR A 35 3.714 -10.963 -1.480 1.00 0.00 C ATOM 489 O THR A 35 2.551 -11.299 -1.708 1.00 0.00 O ATOM 490 CB THR A 35 5.079 -12.716 -2.617 1.00 0.00 C ATOM 491 OG1 THR A 35 5.944 -13.838 -2.411 1.00 0.00 O ATOM 492 CG2 THR A 35 5.714 -11.757 -3.613 1.00 0.00 C ATOM 0 H THR A 35 3.698 -13.621 -0.517 1.00 0.00 H new ATOM 0 HA THR A 35 5.717 -11.520 -0.938 1.00 0.00 H new ATOM 0 HB THR A 35 4.128 -13.060 -3.023 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.425 -14.591 -2.060 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.899 -12.278 -4.552 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.041 -10.918 -3.790 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.657 -11.387 -3.211 1.00 0.00 H new ATOM 500 N LEU A 36 4.097 -9.694 -1.398 1.00 0.00 N ATOM 501 CA LEU A 36 3.153 -8.597 -1.575 1.00 0.00 C ATOM 502 C LEU A 36 3.614 -7.654 -2.681 1.00 0.00 C ATOM 503 O LEU A 36 4.756 -7.196 -2.683 1.00 0.00 O ATOM 504 CB LEU A 36 2.988 -7.823 -0.265 1.00 0.00 C ATOM 505 CG LEU A 36 2.589 -8.650 0.957 1.00 0.00 C ATOM 506 CD1 LEU A 36 3.043 -7.964 2.237 1.00 0.00 C ATOM 507 CD2 LEU A 36 1.085 -8.879 0.978 1.00 0.00 C ATOM 0 H LEU A 36 5.055 -9.399 -1.210 1.00 0.00 H new ATOM 0 HA LEU A 36 2.191 -9.022 -1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.928 -7.316 -0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.236 -7.049 -0.416 1.00 0.00 H new ATOM 0 HG LEU A 36 3.083 -9.619 0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.750 -8.567 3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.127 -7.852 2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.577 -6.981 2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.819 -9.469 1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.571 -7.919 1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.786 -9.413 0.076 1.00 0.00 H new ATOM 519 N GLN A 37 2.717 -7.367 -3.619 1.00 0.00 N ATOM 520 CA GLN A 37 3.032 -6.477 -4.731 1.00 0.00 C ATOM 521 C GLN A 37 2.144 -5.238 -4.704 1.00 0.00 C ATOM 522 O GLN A 37 1.060 -5.252 -4.122 1.00 0.00 O ATOM 523 CB GLN A 37 2.865 -7.211 -6.062 1.00 0.00 C ATOM 524 CG GLN A 37 3.936 -8.259 -6.318 1.00 0.00 C ATOM 525 CD GLN A 37 3.753 -8.969 -7.645 1.00 0.00 C ATOM 526 OE1 GLN A 37 2.627 -9.199 -8.089 1.00 0.00 O ATOM 527 NE2 GLN A 37 4.860 -9.321 -8.287 1.00 0.00 N ATOM 0 H GLN A 37 1.767 -7.738 -3.631 1.00 0.00 H new ATOM 0 HA GLN A 37 4.070 -6.160 -4.628 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.887 -7.691 -6.082 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.880 -6.483 -6.873 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.917 -7.783 -6.297 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.920 -8.993 -5.512 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.773 -9.111 -7.883 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.798 -9.802 -9.185 1.00 0.00 H new ATOM 536 N TRP A 38 2.612 -4.168 -5.338 1.00 0.00 N ATOM 537 CA TRP A 38 1.859 -2.920 -5.387 1.00 0.00 C ATOM 538 C TRP A 38 2.404 -1.998 -6.472 1.00 0.00 C ATOM 539 O TRP A 38 3.355 -2.342 -7.174 1.00 0.00 O ATOM 540 CB TRP A 38 1.910 -2.216 -4.030 1.00 0.00 C ATOM 541 CG TRP A 38 3.302 -1.883 -3.585 1.00 0.00 C ATOM 542 CD1 TRP A 38 3.980 -0.720 -3.816 1.00 0.00 C ATOM 543 CD2 TRP A 38 4.186 -2.723 -2.835 1.00 0.00 C ATOM 544 NE1 TRP A 38 5.233 -0.787 -3.255 1.00 0.00 N ATOM 545 CE2 TRP A 38 5.383 -2.005 -2.646 1.00 0.00 C ATOM 546 CE3 TRP A 38 4.083 -4.011 -2.303 1.00 0.00 C ATOM 547 CZ2 TRP A 38 6.466 -2.534 -1.950 1.00 0.00 C ATOM 548 CZ3 TRP A 38 5.159 -4.535 -1.612 1.00 0.00 C ATOM 549 CH2 TRP A 38 6.338 -3.797 -1.439 1.00 0.00 C ATOM 0 H TRP A 38 3.508 -4.140 -5.824 1.00 0.00 H new ATOM 0 HA TRP A 38 0.823 -3.159 -5.626 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.324 -1.298 -4.083 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.439 -2.852 -3.281 1.00 0.00 H new ATOM 0 HD1 TRP A 38 3.589 0.127 -4.359 1.00 0.00 H new ATOM 0 HE1 TRP A 38 5.937 -0.050 -3.287 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.178 -4.587 -2.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 7.376 -1.967 -1.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 5.090 -5.530 -1.198 1.00 0.00 H new ATOM 0 HH2 TRP A 38 7.161 -4.233 -0.892 1.00 0.00 H new ATOM 560 N LYS A 39 1.797 -0.823 -6.605 1.00 0.00 N ATOM 561 CA LYS A 39 2.222 0.150 -7.603 1.00 0.00 C ATOM 562 C LYS A 39 2.484 1.509 -6.962 1.00 0.00 C ATOM 563 O LYS A 39 2.206 1.712 -5.781 1.00 0.00 O ATOM 564 CB LYS A 39 1.160 0.287 -8.697 1.00 0.00 C ATOM 565 CG LYS A 39 -0.245 0.494 -8.157 1.00 0.00 C ATOM 566 CD LYS A 39 -0.953 -0.830 -7.922 1.00 0.00 C ATOM 567 CE LYS A 39 -1.718 -1.280 -9.156 1.00 0.00 C ATOM 568 NZ LYS A 39 -0.861 -2.072 -10.082 1.00 0.00 N ATOM 0 H LYS A 39 1.008 -0.522 -6.033 1.00 0.00 H new ATOM 0 HA LYS A 39 3.151 -0.207 -8.049 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.420 1.127 -9.341 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.173 -0.608 -9.319 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.198 1.053 -7.223 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.821 1.096 -8.860 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.222 -1.591 -7.648 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.641 -0.732 -7.082 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.576 -1.880 -8.853 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.108 -0.407 -9.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.462 -2.661 -10.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.297 -1.426 -10.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.225 -2.682 -9.530 1.00 0.00 H new ATOM 582 N ALA A 40 3.020 2.436 -7.749 1.00 0.00 N ATOM 583 CA ALA A 40 3.316 3.776 -7.258 1.00 0.00 C ATOM 584 C ALA A 40 2.130 4.712 -7.467 1.00 0.00 C ATOM 585 O ALA A 40 1.524 4.756 -8.538 1.00 0.00 O ATOM 586 CB ALA A 40 4.555 4.329 -7.947 1.00 0.00 C ATOM 0 H ALA A 40 3.258 2.284 -8.729 1.00 0.00 H new ATOM 0 HA ALA A 40 3.508 3.709 -6.187 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.764 5.330 -7.571 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.406 3.679 -7.742 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.384 4.374 -9.022 1.00 0.00 H new ATOM 592 N PRO A 41 1.789 5.479 -6.421 1.00 0.00 N ATOM 593 CA PRO A 41 0.672 6.428 -6.466 1.00 0.00 C ATOM 594 C PRO A 41 0.961 7.621 -7.371 1.00 0.00 C ATOM 595 O PRO A 41 2.010 7.685 -8.013 1.00 0.00 O ATOM 596 CB PRO A 41 0.534 6.882 -5.011 1.00 0.00 C ATOM 597 CG PRO A 41 1.887 6.681 -4.421 1.00 0.00 C ATOM 598 CD PRO A 41 2.467 5.479 -5.114 1.00 0.00 C ATOM 0 HA PRO A 41 -0.232 5.975 -6.873 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.227 7.926 -4.950 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.219 6.296 -4.483 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.514 7.560 -4.574 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.823 6.518 -3.345 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.549 5.561 -5.222 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.270 4.562 -4.559 1.00 0.00 H new ATOM 606 N SER A 42 0.026 8.563 -7.417 1.00 0.00 N ATOM 607 CA SER A 42 0.179 9.753 -8.247 1.00 0.00 C ATOM 608 C SER A 42 0.928 10.848 -7.493 1.00 0.00 C ATOM 609 O SER A 42 0.442 11.370 -6.490 1.00 0.00 O ATOM 610 CB SER A 42 -1.190 10.270 -8.692 1.00 0.00 C ATOM 611 OG SER A 42 -1.608 9.641 -9.891 1.00 0.00 O ATOM 0 H SER A 42 -0.846 8.526 -6.889 1.00 0.00 H new ATOM 0 HA SER A 42 0.760 9.479 -9.128 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.924 10.087 -7.907 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.144 11.349 -8.841 1.00 0.00 H new ATOM 0 HG SER A 42 -2.486 9.988 -10.153 1.00 0.00 H new ATOM 617 N ASP A 43 2.114 11.189 -7.984 1.00 0.00 N ATOM 618 CA ASP A 43 2.932 12.222 -7.359 1.00 0.00 C ATOM 619 C ASP A 43 2.345 13.607 -7.613 1.00 0.00 C ATOM 620 O ASP A 43 2.655 14.249 -8.616 1.00 0.00 O ATOM 621 CB ASP A 43 4.366 12.158 -7.887 1.00 0.00 C ATOM 622 CG ASP A 43 4.425 12.145 -9.402 1.00 0.00 C ATOM 623 OD1 ASP A 43 4.440 13.239 -10.003 1.00 0.00 O ATOM 624 OD2 ASP A 43 4.455 11.042 -9.986 1.00 0.00 O ATOM 0 H ASP A 43 2.531 10.765 -8.813 1.00 0.00 H new ATOM 0 HA ASP A 43 2.941 12.042 -6.284 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.927 13.014 -7.512 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.853 11.263 -7.500 1.00 0.00 H new ATOM 629 N ASN A 44 1.496 14.062 -6.698 1.00 0.00 N ATOM 630 CA ASN A 44 0.864 15.370 -6.824 1.00 0.00 C ATOM 631 C ASN A 44 1.784 16.471 -6.303 1.00 0.00 C ATOM 632 O ASN A 44 2.126 17.403 -7.028 1.00 0.00 O ATOM 633 CB ASN A 44 -0.462 15.395 -6.061 1.00 0.00 C ATOM 634 CG ASN A 44 -0.323 14.880 -4.642 1.00 0.00 C ATOM 635 OD1 ASN A 44 -0.018 15.639 -3.721 1.00 0.00 O ATOM 636 ND2 ASN A 44 -0.546 13.584 -4.458 1.00 0.00 N ATOM 0 H ASN A 44 1.230 13.544 -5.861 1.00 0.00 H new ATOM 0 HA ASN A 44 0.671 15.552 -7.881 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.846 16.415 -6.038 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.196 14.790 -6.594 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.467 13.180 -3.525 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.796 12.992 -5.250 1.00 0.00 H new ATOM 643 N GLY A 45 2.181 16.354 -5.039 1.00 0.00 N ATOM 644 CA GLY A 45 3.057 17.345 -4.443 1.00 0.00 C ATOM 645 C GLY A 45 4.445 17.334 -5.053 1.00 0.00 C ATOM 646 O GLY A 45 4.863 18.309 -5.678 1.00 0.00 O ATOM 0 H GLY A 45 1.912 15.591 -4.418 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.617 18.335 -4.566 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.133 17.161 -3.371 1.00 0.00 H new ATOM 650 N SER A 46 5.161 16.230 -4.871 1.00 0.00 N ATOM 651 CA SER A 46 6.512 16.098 -5.404 1.00 0.00 C ATOM 652 C SER A 46 6.870 14.631 -5.623 1.00 0.00 C ATOM 653 O SER A 46 6.228 13.735 -5.075 1.00 0.00 O ATOM 654 CB SER A 46 7.523 16.745 -4.455 1.00 0.00 C ATOM 655 OG SER A 46 8.668 17.193 -5.158 1.00 0.00 O ATOM 0 H SER A 46 4.828 15.413 -4.358 1.00 0.00 H new ATOM 0 HA SER A 46 6.547 16.610 -6.366 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.057 17.585 -3.940 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.820 16.027 -3.690 1.00 0.00 H new ATOM 0 HG SER A 46 9.298 17.604 -4.530 1.00 0.00 H new ATOM 661 N LYS A 47 7.898 14.394 -6.430 1.00 0.00 N ATOM 662 CA LYS A 47 8.344 13.037 -6.723 1.00 0.00 C ATOM 663 C LYS A 47 8.549 12.242 -5.437 1.00 0.00 C ATOM 664 O LYS A 47 9.176 12.723 -4.493 1.00 0.00 O ATOM 665 CB LYS A 47 9.645 13.068 -7.528 1.00 0.00 C ATOM 666 CG LYS A 47 10.218 11.690 -7.813 1.00 0.00 C ATOM 667 CD LYS A 47 9.571 11.059 -9.034 1.00 0.00 C ATOM 668 CE LYS A 47 10.514 10.084 -9.723 1.00 0.00 C ATOM 669 NZ LYS A 47 11.456 10.780 -10.643 1.00 0.00 N ATOM 0 H LYS A 47 8.439 15.124 -6.893 1.00 0.00 H new ATOM 0 HA LYS A 47 7.570 12.547 -7.313 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.465 13.580 -8.473 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.385 13.654 -6.984 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.294 11.768 -7.969 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.067 11.046 -6.947 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.661 10.538 -8.737 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.277 11.840 -9.736 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.080 9.534 -8.971 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.933 9.352 -10.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.082 10.082 -11.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.917 11.284 -11.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.028 11.461 -10.104 1.00 0.00 H new ATOM 683 N ILE A 48 8.018 11.025 -5.409 1.00 0.00 N ATOM 684 CA ILE A 48 8.145 10.163 -4.240 1.00 0.00 C ATOM 685 C ILE A 48 9.560 9.609 -4.117 1.00 0.00 C ATOM 686 O ILE A 48 10.134 9.126 -5.092 1.00 0.00 O ATOM 687 CB ILE A 48 7.149 8.990 -4.294 1.00 0.00 C ATOM 688 CG1 ILE A 48 5.712 9.513 -4.330 1.00 0.00 C ATOM 689 CG2 ILE A 48 7.352 8.067 -3.102 1.00 0.00 C ATOM 690 CD1 ILE A 48 4.751 8.593 -5.051 1.00 0.00 C ATOM 0 H ILE A 48 7.496 10.613 -6.182 1.00 0.00 H new ATOM 0 HA ILE A 48 7.921 10.778 -3.369 1.00 0.00 H new ATOM 0 HB ILE A 48 7.331 8.420 -5.205 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.362 9.661 -3.308 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.701 10.489 -4.816 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.641 7.243 -3.155 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.367 7.671 -3.117 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.194 8.625 -2.179 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.752 9.028 -5.037 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.076 8.464 -6.083 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.732 7.624 -4.553 1.00 0.00 H new ATOM 702 N GLN A 49 10.115 9.681 -2.911 1.00 0.00 N ATOM 703 CA GLN A 49 11.463 9.185 -2.661 1.00 0.00 C ATOM 704 C GLN A 49 11.486 7.660 -2.635 1.00 0.00 C ATOM 705 O GLN A 49 12.171 7.026 -3.437 1.00 0.00 O ATOM 706 CB GLN A 49 11.995 9.737 -1.337 1.00 0.00 C ATOM 707 CG GLN A 49 12.226 11.239 -1.354 1.00 0.00 C ATOM 708 CD GLN A 49 12.916 11.738 -0.099 1.00 0.00 C ATOM 709 OE1 GLN A 49 12.339 11.722 0.989 1.00 0.00 O ATOM 710 NE2 GLN A 49 14.159 12.183 -0.245 1.00 0.00 N ATOM 0 H GLN A 49 9.652 10.078 -2.093 1.00 0.00 H new ATOM 0 HA GLN A 49 12.105 9.526 -3.473 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.289 9.495 -0.542 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.932 9.236 -1.094 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.829 11.500 -2.224 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.269 11.749 -1.465 1.00 0.00 H new ATOM 0 HE21 GLN A 49 14.598 12.178 -1.166 1.00 0.00 H new ATOM 0 HE22 GLN A 49 14.675 12.530 0.564 1.00 0.00 H new ATOM 719 N ASN A 50 10.734 7.077 -1.708 1.00 0.00 N ATOM 720 CA ASN A 50 10.669 5.626 -1.577 1.00 0.00 C ATOM 721 C ASN A 50 9.373 5.199 -0.894 1.00 0.00 C ATOM 722 O ASN A 50 8.601 6.035 -0.424 1.00 0.00 O ATOM 723 CB ASN A 50 11.871 5.110 -0.784 1.00 0.00 C ATOM 724 CG ASN A 50 12.370 6.120 0.231 1.00 0.00 C ATOM 725 OD1 ASN A 50 13.563 6.419 0.291 1.00 0.00 O ATOM 726 ND2 ASN A 50 11.457 6.651 1.036 1.00 0.00 N ATOM 0 H ASN A 50 10.161 7.587 -1.036 1.00 0.00 H new ATOM 0 HA ASN A 50 10.691 5.194 -2.578 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.596 4.189 -0.271 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.678 4.862 -1.473 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.734 7.336 1.739 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.479 6.374 0.951 1.00 0.00 H new ATOM 733 N PHE A 51 9.142 3.891 -0.841 1.00 0.00 N ATOM 734 CA PHE A 51 7.940 3.352 -0.215 1.00 0.00 C ATOM 735 C PHE A 51 8.234 2.874 1.204 1.00 0.00 C ATOM 736 O PHE A 51 9.355 2.472 1.517 1.00 0.00 O ATOM 737 CB PHE A 51 7.379 2.198 -1.048 1.00 0.00 C ATOM 738 CG PHE A 51 6.893 2.620 -2.405 1.00 0.00 C ATOM 739 CD1 PHE A 51 5.705 3.321 -2.543 1.00 0.00 C ATOM 740 CD2 PHE A 51 7.623 2.317 -3.543 1.00 0.00 C ATOM 741 CE1 PHE A 51 5.255 3.709 -3.791 1.00 0.00 C ATOM 742 CE2 PHE A 51 7.179 2.703 -4.793 1.00 0.00 C ATOM 743 CZ PHE A 51 5.993 3.401 -4.917 1.00 0.00 C ATOM 0 H PHE A 51 9.771 3.185 -1.224 1.00 0.00 H new ATOM 0 HA PHE A 51 7.198 4.149 -0.165 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.151 1.438 -1.167 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.556 1.734 -0.504 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.125 3.567 -1.666 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.551 1.772 -3.452 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.327 4.253 -3.886 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.758 2.460 -5.672 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.644 3.705 -5.893 1.00 0.00 H new ATOM 753 N VAL A 52 7.218 2.921 2.060 1.00 0.00 N ATOM 754 CA VAL A 52 7.366 2.493 3.446 1.00 0.00 C ATOM 755 C VAL A 52 6.328 1.435 3.808 1.00 0.00 C ATOM 756 O VAL A 52 5.139 1.732 3.928 1.00 0.00 O ATOM 757 CB VAL A 52 7.233 3.680 4.418 1.00 0.00 C ATOM 758 CG1 VAL A 52 7.395 3.214 5.857 1.00 0.00 C ATOM 759 CG2 VAL A 52 8.249 4.760 4.081 1.00 0.00 C ATOM 0 H VAL A 52 6.284 3.251 1.818 1.00 0.00 H new ATOM 0 HA VAL A 52 8.365 2.066 3.540 1.00 0.00 H new ATOM 0 HB VAL A 52 6.235 4.105 4.310 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.298 4.067 6.529 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.625 2.479 6.090 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.379 2.762 5.985 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.141 5.591 4.778 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.256 4.350 4.159 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.080 5.114 3.064 1.00 0.00 H new ATOM 769 N LEU A 53 6.786 0.200 3.980 1.00 0.00 N ATOM 770 CA LEU A 53 5.898 -0.903 4.329 1.00 0.00 C ATOM 771 C LEU A 53 5.986 -1.223 5.818 1.00 0.00 C ATOM 772 O LEU A 53 7.043 -1.077 6.432 1.00 0.00 O ATOM 773 CB LEU A 53 6.248 -2.145 3.507 1.00 0.00 C ATOM 774 CG LEU A 53 5.374 -3.377 3.747 1.00 0.00 C ATOM 775 CD1 LEU A 53 3.974 -3.153 3.196 1.00 0.00 C ATOM 776 CD2 LEU A 53 6.006 -4.609 3.117 1.00 0.00 C ATOM 0 H LEU A 53 7.767 -0.063 3.883 1.00 0.00 H new ATOM 0 HA LEU A 53 4.876 -0.600 4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.191 -1.884 2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.284 -2.413 3.714 1.00 0.00 H new ATOM 0 HG LEU A 53 5.297 -3.542 4.822 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.366 -4.040 3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.520 -2.295 3.693 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.031 -2.963 2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.371 -5.476 3.297 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.113 -4.454 2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.988 -4.780 3.558 1.00 0.00 H new ATOM 788 N GLU A 54 4.870 -1.663 6.391 1.00 0.00 N ATOM 789 CA GLU A 54 4.823 -2.005 7.807 1.00 0.00 C ATOM 790 C GLU A 54 3.896 -3.192 8.050 1.00 0.00 C ATOM 791 O GLU A 54 2.984 -3.451 7.265 1.00 0.00 O ATOM 792 CB GLU A 54 4.356 -0.802 8.630 1.00 0.00 C ATOM 793 CG GLU A 54 5.436 0.244 8.846 1.00 0.00 C ATOM 794 CD GLU A 54 4.893 1.529 9.441 1.00 0.00 C ATOM 795 OE1 GLU A 54 4.038 1.447 10.348 1.00 0.00 O ATOM 796 OE2 GLU A 54 5.321 2.615 8.999 1.00 0.00 O ATOM 0 H GLU A 54 3.987 -1.791 5.896 1.00 0.00 H new ATOM 0 HA GLU A 54 5.829 -2.282 8.121 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.507 -0.337 8.129 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.001 -1.151 9.600 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.203 -0.162 9.506 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.919 0.464 7.894 1.00 0.00 H new ATOM 803 N TRP A 55 4.137 -3.910 9.141 1.00 0.00 N ATOM 804 CA TRP A 55 3.324 -5.071 9.487 1.00 0.00 C ATOM 805 C TRP A 55 3.391 -5.355 10.983 1.00 0.00 C ATOM 806 O TRP A 55 4.299 -4.892 11.673 1.00 0.00 O ATOM 807 CB TRP A 55 3.789 -6.297 8.700 1.00 0.00 C ATOM 808 CG TRP A 55 5.062 -6.890 9.223 1.00 0.00 C ATOM 809 CD1 TRP A 55 6.136 -6.213 9.725 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.394 -8.281 9.293 1.00 0.00 C ATOM 811 NE1 TRP A 55 7.116 -7.099 10.102 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.685 -8.374 9.849 1.00 0.00 C ATOM 813 CE3 TRP A 55 4.726 -9.457 8.942 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.319 -9.596 10.059 1.00 0.00 C ATOM 815 CZ3 TRP A 55 5.357 -10.669 9.151 1.00 0.00 C ATOM 816 CH2 TRP A 55 6.642 -10.731 9.706 1.00 0.00 C ATOM 0 H TRP A 55 4.888 -3.709 9.801 1.00 0.00 H new ATOM 0 HA TRP A 55 2.289 -4.851 9.224 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.006 -7.055 8.726 1.00 0.00 H new ATOM 0 HB3 TRP A 55 3.929 -6.018 7.656 1.00 0.00 H new ATOM 0 HD1 TRP A 55 6.205 -5.139 9.813 1.00 0.00 H new ATOM 0 HE1 TRP A 55 8.019 -6.848 10.505 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.735 -9.420 8.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.310 -9.646 10.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 4.851 -11.584 8.882 1.00 0.00 H new ATOM 0 HH2 TRP A 55 7.107 -11.694 9.858 1.00 0.00 H new ATOM 827 N ASP A 56 2.424 -6.120 11.479 1.00 0.00 N ATOM 828 CA ASP A 56 2.375 -6.468 12.894 1.00 0.00 C ATOM 829 C ASP A 56 3.056 -7.809 13.149 1.00 0.00 C ATOM 830 O ASP A 56 2.629 -8.580 14.007 1.00 0.00 O ATOM 831 CB ASP A 56 0.925 -6.519 13.379 1.00 0.00 C ATOM 832 CG ASP A 56 0.111 -7.577 12.659 1.00 0.00 C ATOM 833 OD1 ASP A 56 0.487 -8.766 12.731 1.00 0.00 O ATOM 834 OD2 ASP A 56 -0.902 -7.216 12.025 1.00 0.00 O ATOM 0 H ASP A 56 1.664 -6.511 10.922 1.00 0.00 H new ATOM 0 HA ASP A 56 2.910 -5.698 13.450 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.910 -6.720 14.450 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.461 -5.544 13.231 1.00 0.00 H new ATOM 839 N GLU A 57 4.118 -8.080 12.396 1.00 0.00 N ATOM 840 CA GLU A 57 4.857 -9.329 12.539 1.00 0.00 C ATOM 841 C GLU A 57 3.914 -10.484 12.865 1.00 0.00 C ATOM 842 O GLU A 57 4.244 -11.363 13.661 1.00 0.00 O ATOM 843 CB GLU A 57 5.917 -9.197 13.634 1.00 0.00 C ATOM 844 CG GLU A 57 7.081 -8.299 13.249 1.00 0.00 C ATOM 845 CD GLU A 57 8.257 -8.430 14.197 1.00 0.00 C ATOM 846 OE1 GLU A 57 8.543 -9.564 14.635 1.00 0.00 O ATOM 847 OE2 GLU A 57 8.893 -7.398 14.500 1.00 0.00 O ATOM 0 H GLU A 57 4.485 -7.452 11.681 1.00 0.00 H new ATOM 0 HA GLU A 57 5.350 -9.541 11.590 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.448 -8.804 14.536 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.299 -10.188 13.879 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.405 -8.544 12.238 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.745 -7.262 13.233 1.00 0.00 H new ATOM 854 N GLY A 58 2.739 -10.475 12.244 1.00 0.00 N ATOM 855 CA GLY A 58 1.766 -11.525 12.481 1.00 0.00 C ATOM 856 C GLY A 58 1.725 -11.961 13.932 1.00 0.00 C ATOM 857 O GLY A 58 1.740 -13.155 14.231 1.00 0.00 O ATOM 0 H GLY A 58 2.443 -9.759 11.581 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.778 -11.175 12.182 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.003 -12.384 11.853 1.00 0.00 H new ATOM 861 N LYS A 59 1.674 -10.990 14.838 1.00 0.00 N ATOM 862 CA LYS A 59 1.631 -11.277 16.267 1.00 0.00 C ATOM 863 C LYS A 59 0.202 -11.195 16.795 1.00 0.00 C ATOM 864 O LYS A 59 -0.291 -12.128 17.428 1.00 0.00 O ATOM 865 CB LYS A 59 2.526 -10.301 17.032 1.00 0.00 C ATOM 866 CG LYS A 59 3.959 -10.267 16.528 1.00 0.00 C ATOM 867 CD LYS A 59 4.833 -9.375 17.393 1.00 0.00 C ATOM 868 CE LYS A 59 5.468 -10.154 18.535 1.00 0.00 C ATOM 869 NZ LYS A 59 6.127 -9.255 19.521 1.00 0.00 N ATOM 0 H LYS A 59 1.661 -9.996 14.607 1.00 0.00 H new ATOM 0 HA LYS A 59 1.999 -12.292 16.420 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.101 -9.300 16.961 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.527 -10.573 18.087 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.366 -11.278 16.518 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.975 -9.907 15.499 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.614 -8.925 16.780 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.234 -8.559 17.797 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.705 -10.747 19.038 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.202 -10.853 18.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.547 -9.824 20.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.873 -8.707 19.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.422 -8.605 19.923 1.00 0.00 H new ATOM 883 N GLY A 60 -0.459 -10.072 16.530 1.00 0.00 N ATOM 884 CA GLY A 60 -1.824 -9.889 16.985 1.00 0.00 C ATOM 885 C GLY A 60 -1.911 -9.019 18.224 1.00 0.00 C ATOM 886 O GLY A 60 -2.504 -9.414 19.227 1.00 0.00 O ATOM 0 H GLY A 60 -0.073 -9.286 16.008 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.413 -9.438 16.186 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.267 -10.862 17.196 1.00 0.00 H new ATOM 890 N ASN A 61 -1.318 -7.832 18.154 1.00 0.00 N ATOM 891 CA ASN A 61 -1.329 -6.905 19.279 1.00 0.00 C ATOM 892 C ASN A 61 -1.890 -5.549 18.861 1.00 0.00 C ATOM 893 O ASN A 61 -2.645 -4.922 19.603 1.00 0.00 O ATOM 894 CB ASN A 61 0.084 -6.733 19.839 1.00 0.00 C ATOM 895 CG ASN A 61 0.863 -8.034 19.851 1.00 0.00 C ATOM 896 OD1 ASN A 61 0.442 -9.017 20.461 1.00 0.00 O ATOM 897 ND2 ASN A 61 2.006 -8.045 19.175 1.00 0.00 N ATOM 0 H ASN A 61 -0.824 -7.490 17.330 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.972 -7.322 20.054 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.621 -5.996 19.242 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.024 -6.339 20.854 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.574 -8.892 19.147 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.316 -7.207 18.684 1.00 0.00 H new ATOM 904 N GLY A 62 -1.515 -5.102 17.666 1.00 0.00 N ATOM 905 CA GLY A 62 -1.991 -3.824 17.169 1.00 0.00 C ATOM 906 C GLY A 62 -0.872 -2.816 16.999 1.00 0.00 C ATOM 907 O GLY A 62 -1.081 -1.614 17.164 1.00 0.00 O ATOM 0 H GLY A 62 -0.890 -5.602 17.033 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.490 -3.973 16.212 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.735 -3.424 17.858 1.00 0.00 H new ATOM 911 N GLU A 63 0.320 -3.305 16.672 1.00 0.00 N ATOM 912 CA GLU A 63 1.476 -2.437 16.483 1.00 0.00 C ATOM 913 C GLU A 63 2.077 -2.626 15.093 1.00 0.00 C ATOM 914 O GLU A 63 2.183 -3.749 14.598 1.00 0.00 O ATOM 915 CB GLU A 63 2.534 -2.721 17.551 1.00 0.00 C ATOM 916 CG GLU A 63 2.098 -2.340 18.956 1.00 0.00 C ATOM 917 CD GLU A 63 2.376 -0.885 19.279 1.00 0.00 C ATOM 918 OE1 GLU A 63 3.504 -0.579 19.721 1.00 0.00 O ATOM 919 OE2 GLU A 63 1.466 -0.051 19.089 1.00 0.00 O ATOM 0 H GLU A 63 0.510 -4.297 16.533 1.00 0.00 H new ATOM 0 HA GLU A 63 1.142 -1.404 16.578 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.782 -3.782 17.532 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.445 -2.176 17.302 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.031 -2.535 19.067 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.615 -2.973 19.677 1.00 0.00 H new ATOM 926 N PHE A 64 2.469 -1.520 14.469 1.00 0.00 N ATOM 927 CA PHE A 64 3.058 -1.563 13.136 1.00 0.00 C ATOM 928 C PHE A 64 4.474 -0.994 13.148 1.00 0.00 C ATOM 929 O PHE A 64 4.701 0.124 13.613 1.00 0.00 O ATOM 930 CB PHE A 64 2.191 -0.782 12.147 1.00 0.00 C ATOM 931 CG PHE A 64 0.942 -1.509 11.739 1.00 0.00 C ATOM 932 CD1 PHE A 64 -0.149 -1.571 12.592 1.00 0.00 C ATOM 933 CD2 PHE A 64 0.858 -2.132 10.504 1.00 0.00 C ATOM 934 CE1 PHE A 64 -1.299 -2.241 12.220 1.00 0.00 C ATOM 935 CE2 PHE A 64 -0.290 -2.802 10.127 1.00 0.00 C ATOM 936 CZ PHE A 64 -1.370 -2.856 10.986 1.00 0.00 C ATOM 0 H PHE A 64 2.389 -0.583 14.865 1.00 0.00 H new ATOM 0 HA PHE A 64 3.107 -2.605 12.821 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.916 0.174 12.594 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.780 -0.560 11.257 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.100 -1.090 13.558 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.700 -2.093 9.828 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.142 -2.283 12.894 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.343 -3.283 9.161 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.269 -3.378 10.693 1.00 0.00 H new ATOM 946 N CYS A 65 5.422 -1.770 12.635 1.00 0.00 N ATOM 947 CA CYS A 65 6.816 -1.345 12.588 1.00 0.00 C ATOM 948 C CYS A 65 7.367 -1.444 11.169 1.00 0.00 C ATOM 949 O CYS A 65 6.962 -2.310 10.395 1.00 0.00 O ATOM 950 CB CYS A 65 7.662 -2.195 13.537 1.00 0.00 C ATOM 951 SG CYS A 65 7.574 -1.680 15.267 1.00 0.00 S ATOM 0 H CYS A 65 5.251 -2.697 12.246 1.00 0.00 H new ATOM 0 HA CYS A 65 6.864 -0.303 12.905 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.340 -3.234 13.462 1.00 0.00 H new ATOM 0 HB3 CYS A 65 8.701 -2.159 13.211 1.00 0.00 H new ATOM 0 HG CYS A 65 8.321 -2.460 15.991 1.00 0.00 H new ATOM 957 N GLN A 66 8.291 -0.549 10.835 1.00 0.00 N ATOM 958 CA GLN A 66 8.896 -0.534 9.508 1.00 0.00 C ATOM 959 C GLN A 66 9.427 -1.915 9.137 1.00 0.00 C ATOM 960 O GLN A 66 10.339 -2.434 9.781 1.00 0.00 O ATOM 961 CB GLN A 66 10.027 0.493 9.451 1.00 0.00 C ATOM 962 CG GLN A 66 10.343 0.973 8.044 1.00 0.00 C ATOM 963 CD GLN A 66 11.444 2.014 8.016 1.00 0.00 C ATOM 964 OE1 GLN A 66 11.377 3.024 8.717 1.00 0.00 O ATOM 965 NE2 GLN A 66 12.467 1.774 7.203 1.00 0.00 N ATOM 0 H GLN A 66 8.637 0.175 11.465 1.00 0.00 H new ATOM 0 HA GLN A 66 8.126 -0.255 8.788 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.758 1.351 10.067 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.925 0.056 9.887 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.638 0.121 7.431 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.442 1.391 7.596 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.482 0.924 6.640 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.237 2.440 7.142 1.00 0.00 H new ATOM 974 N CYS A 67 8.851 -2.504 8.095 1.00 0.00 N ATOM 975 CA CYS A 67 9.266 -3.826 7.638 1.00 0.00 C ATOM 976 C CYS A 67 10.188 -3.718 6.427 1.00 0.00 C ATOM 977 O CYS A 67 11.262 -4.318 6.397 1.00 0.00 O ATOM 978 CB CYS A 67 8.043 -4.675 7.289 1.00 0.00 C ATOM 979 SG CYS A 67 8.401 -6.435 7.082 1.00 0.00 S ATOM 0 H CYS A 67 8.096 -2.087 7.551 1.00 0.00 H new ATOM 0 HA CYS A 67 9.814 -4.308 8.448 1.00 0.00 H new ATOM 0 HB2 CYS A 67 7.296 -4.557 8.074 1.00 0.00 H new ATOM 0 HB3 CYS A 67 7.601 -4.294 6.368 1.00 0.00 H new ATOM 0 HG CYS A 67 7.908 -7.099 8.085 1.00 0.00 H new ATOM 985 N TYR A 68 9.759 -2.951 5.431 1.00 0.00 N ATOM 986 CA TYR A 68 10.544 -2.768 4.215 1.00 0.00 C ATOM 987 C TYR A 68 10.449 -1.329 3.717 1.00 0.00 C ATOM 988 O TYR A 68 9.366 -0.746 3.675 1.00 0.00 O ATOM 989 CB TYR A 68 10.067 -3.730 3.126 1.00 0.00 C ATOM 990 CG TYR A 68 10.810 -3.579 1.818 1.00 0.00 C ATOM 991 CD1 TYR A 68 10.372 -2.689 0.845 1.00 0.00 C ATOM 992 CD2 TYR A 68 11.952 -4.327 1.555 1.00 0.00 C ATOM 993 CE1 TYR A 68 11.047 -2.549 -0.352 1.00 0.00 C ATOM 994 CE2 TYR A 68 12.634 -4.192 0.361 1.00 0.00 C ATOM 995 CZ TYR A 68 12.178 -3.303 -0.589 1.00 0.00 C ATOM 996 OH TYR A 68 12.855 -3.165 -1.779 1.00 0.00 O ATOM 0 H TYR A 68 8.873 -2.446 5.441 1.00 0.00 H new ATOM 0 HA TYR A 68 11.586 -2.984 4.449 1.00 0.00 H new ATOM 0 HB2 TYR A 68 10.180 -4.754 3.482 1.00 0.00 H new ATOM 0 HB3 TYR A 68 9.003 -3.569 2.951 1.00 0.00 H new ATOM 0 HD1 TYR A 68 9.488 -2.096 1.028 1.00 0.00 H new ATOM 0 HD2 TYR A 68 12.312 -5.025 2.296 1.00 0.00 H new ATOM 0 HE1 TYR A 68 10.692 -1.854 -1.098 1.00 0.00 H new ATOM 0 HE2 TYR A 68 13.520 -4.780 0.173 1.00 0.00 H new ATOM 0 HH TYR A 68 13.629 -3.766 -1.787 1.00 0.00 H new ATOM 1006 N MET A 69 11.591 -0.764 3.339 1.00 0.00 N ATOM 1007 CA MET A 69 11.637 0.606 2.842 1.00 0.00 C ATOM 1008 C MET A 69 12.621 0.730 1.683 1.00 0.00 C ATOM 1009 O MET A 69 13.830 0.596 1.865 1.00 0.00 O ATOM 1010 CB MET A 69 12.030 1.566 3.965 1.00 0.00 C ATOM 1011 CG MET A 69 12.134 3.015 3.518 1.00 0.00 C ATOM 1012 SD MET A 69 12.184 4.168 4.903 1.00 0.00 S ATOM 1013 CE MET A 69 12.011 5.733 4.048 1.00 0.00 C ATOM 0 H MET A 69 12.496 -1.233 3.367 1.00 0.00 H new ATOM 0 HA MET A 69 10.643 0.869 2.481 1.00 0.00 H new ATOM 0 HB2 MET A 69 11.296 1.494 4.767 1.00 0.00 H new ATOM 0 HB3 MET A 69 12.988 1.253 4.381 1.00 0.00 H new ATOM 0 HG2 MET A 69 13.032 3.141 2.913 1.00 0.00 H new ATOM 0 HG3 MET A 69 11.284 3.256 2.880 1.00 0.00 H new ATOM 0 HE1 MET A 69 12.131 6.551 4.758 1.00 0.00 H new ATOM 0 HE2 MET A 69 12.774 5.811 3.273 1.00 0.00 H new ATOM 0 HE3 MET A 69 11.023 5.791 3.591 1.00 0.00 H new ATOM 1023 N GLY A 70 12.094 0.987 0.489 1.00 0.00 N ATOM 1024 CA GLY A 70 12.940 1.124 -0.681 1.00 0.00 C ATOM 1025 C GLY A 70 12.161 1.532 -1.916 1.00 0.00 C ATOM 1026 O GLY A 70 10.959 1.788 -1.843 1.00 0.00 O ATOM 0 H GLY A 70 11.096 1.103 0.312 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.713 1.866 -0.481 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.447 0.178 -0.871 1.00 0.00 H new ATOM 1030 N SER A 71 12.846 1.594 -3.053 1.00 0.00 N ATOM 1031 CA SER A 71 12.211 1.979 -4.308 1.00 0.00 C ATOM 1032 C SER A 71 11.350 0.843 -4.852 1.00 0.00 C ATOM 1033 O SER A 71 10.228 1.065 -5.307 1.00 0.00 O ATOM 1034 CB SER A 71 13.270 2.370 -5.341 1.00 0.00 C ATOM 1035 OG SER A 71 12.677 2.978 -6.475 1.00 0.00 O ATOM 0 H SER A 71 13.841 1.383 -3.131 1.00 0.00 H new ATOM 0 HA SER A 71 11.569 2.838 -4.113 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.987 3.056 -4.890 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.827 1.485 -5.649 1.00 0.00 H new ATOM 0 HG SER A 71 13.375 3.220 -7.119 1.00 0.00 H new ATOM 1041 N GLN A 72 11.883 -0.373 -4.800 1.00 0.00 N ATOM 1042 CA GLN A 72 11.164 -1.544 -5.288 1.00 0.00 C ATOM 1043 C GLN A 72 9.729 -1.555 -4.771 1.00 0.00 C ATOM 1044 O GLN A 72 9.451 -1.082 -3.669 1.00 0.00 O ATOM 1045 CB GLN A 72 11.883 -2.825 -4.861 1.00 0.00 C ATOM 1046 CG GLN A 72 12.921 -3.303 -5.862 1.00 0.00 C ATOM 1047 CD GLN A 72 12.298 -3.894 -7.111 1.00 0.00 C ATOM 1048 OE1 GLN A 72 12.214 -3.236 -8.149 1.00 0.00 O ATOM 1049 NE2 GLN A 72 11.858 -5.143 -7.019 1.00 0.00 N ATOM 0 H GLN A 72 12.810 -0.573 -4.425 1.00 0.00 H new ATOM 0 HA GLN A 72 11.139 -1.497 -6.377 1.00 0.00 H new ATOM 0 HB2 GLN A 72 12.368 -2.656 -3.900 1.00 0.00 H new ATOM 0 HB3 GLN A 72 11.145 -3.613 -4.711 1.00 0.00 H new ATOM 0 HG2 GLN A 72 13.563 -2.467 -6.141 1.00 0.00 H new ATOM 0 HG3 GLN A 72 13.558 -4.051 -5.390 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.948 -5.652 -6.139 1.00 0.00 H new ATOM 0 HE22 GLN A 72 11.430 -5.594 -7.828 1.00 0.00 H new ATOM 1058 N LYS A 73 8.821 -2.098 -5.575 1.00 0.00 N ATOM 1059 CA LYS A 73 7.414 -2.172 -5.200 1.00 0.00 C ATOM 1060 C LYS A 73 6.988 -3.618 -4.967 1.00 0.00 C ATOM 1061 O LYS A 73 5.813 -3.958 -5.101 1.00 0.00 O ATOM 1062 CB LYS A 73 6.541 -1.542 -6.287 1.00 0.00 C ATOM 1063 CG LYS A 73 6.874 -0.086 -6.567 1.00 0.00 C ATOM 1064 CD LYS A 73 6.178 0.414 -7.822 1.00 0.00 C ATOM 1065 CE LYS A 73 6.955 0.040 -9.075 1.00 0.00 C ATOM 1066 NZ LYS A 73 6.637 -1.340 -9.534 1.00 0.00 N ATOM 0 H LYS A 73 9.035 -2.493 -6.491 1.00 0.00 H new ATOM 0 HA LYS A 73 7.283 -1.618 -4.270 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.652 -2.115 -7.208 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.495 -1.616 -5.989 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.576 0.526 -5.716 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.952 0.027 -6.679 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.174 -0.007 -7.875 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.067 1.497 -7.771 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.725 0.749 -9.870 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.024 0.119 -8.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.590 -1.358 -10.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.378 -1.993 -9.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.720 -1.634 -9.141 1.00 0.00 H new ATOM 1080 N GLN A 74 7.951 -4.465 -4.616 1.00 0.00 N ATOM 1081 CA GLN A 74 7.675 -5.874 -4.364 1.00 0.00 C ATOM 1082 C GLN A 74 8.636 -6.439 -3.324 1.00 0.00 C ATOM 1083 O GLN A 74 9.855 -6.335 -3.468 1.00 0.00 O ATOM 1084 CB GLN A 74 7.780 -6.676 -5.662 1.00 0.00 C ATOM 1085 CG GLN A 74 7.747 -8.181 -5.452 1.00 0.00 C ATOM 1086 CD GLN A 74 8.382 -8.945 -6.597 1.00 0.00 C ATOM 1087 OE1 GLN A 74 8.802 -8.356 -7.594 1.00 0.00 O ATOM 1088 NE2 GLN A 74 8.455 -10.264 -6.462 1.00 0.00 N ATOM 0 H GLN A 74 8.929 -4.199 -4.500 1.00 0.00 H new ATOM 0 HA GLN A 74 6.660 -5.956 -3.976 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.961 -6.392 -6.322 1.00 0.00 H new ATOM 0 HB3 GLN A 74 8.706 -6.409 -6.170 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.266 -8.426 -4.525 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.713 -8.505 -5.334 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.095 -10.711 -5.619 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.872 -10.830 -7.201 1.00 0.00 H new ATOM 1097 N PHE A 75 8.081 -7.038 -2.276 1.00 0.00 N ATOM 1098 CA PHE A 75 8.889 -7.620 -1.210 1.00 0.00 C ATOM 1099 C PHE A 75 8.284 -8.933 -0.723 1.00 0.00 C ATOM 1100 O PHE A 75 7.073 -9.038 -0.528 1.00 0.00 O ATOM 1101 CB PHE A 75 9.013 -6.638 -0.043 1.00 0.00 C ATOM 1102 CG PHE A 75 9.623 -7.246 1.188 1.00 0.00 C ATOM 1103 CD1 PHE A 75 10.820 -7.939 1.115 1.00 0.00 C ATOM 1104 CD2 PHE A 75 8.999 -7.123 2.419 1.00 0.00 C ATOM 1105 CE1 PHE A 75 11.383 -8.500 2.246 1.00 0.00 C ATOM 1106 CE2 PHE A 75 9.557 -7.681 3.554 1.00 0.00 C ATOM 1107 CZ PHE A 75 10.751 -8.370 3.467 1.00 0.00 C ATOM 0 H PHE A 75 7.074 -7.133 -2.142 1.00 0.00 H new ATOM 0 HA PHE A 75 9.882 -7.825 -1.611 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.618 -5.787 -0.357 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.024 -6.252 0.204 1.00 0.00 H new ATOM 0 HD1 PHE A 75 11.319 -8.042 0.163 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.066 -6.585 2.493 1.00 0.00 H new ATOM 0 HE1 PHE A 75 12.316 -9.039 2.175 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.060 -7.578 4.507 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.190 -8.806 4.352 1.00 0.00 H new ATOM 1117 N LYS A 76 9.136 -9.934 -0.530 1.00 0.00 N ATOM 1118 CA LYS A 76 8.688 -11.242 -0.066 1.00 0.00 C ATOM 1119 C LYS A 76 9.191 -11.519 1.348 1.00 0.00 C ATOM 1120 O LYS A 76 10.388 -11.709 1.564 1.00 0.00 O ATOM 1121 CB LYS A 76 9.176 -12.338 -1.016 1.00 0.00 C ATOM 1122 CG LYS A 76 8.691 -13.728 -0.641 1.00 0.00 C ATOM 1123 CD LYS A 76 9.542 -14.808 -1.287 1.00 0.00 C ATOM 1124 CE LYS A 76 8.741 -16.078 -1.528 1.00 0.00 C ATOM 1125 NZ LYS A 76 8.090 -16.077 -2.868 1.00 0.00 N ATOM 0 H LYS A 76 10.141 -9.865 -0.688 1.00 0.00 H new ATOM 0 HA LYS A 76 7.598 -11.241 -0.052 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.842 -12.106 -2.027 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.266 -12.335 -1.032 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.716 -13.843 0.443 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.653 -13.848 -0.950 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.939 -14.442 -2.234 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.396 -15.031 -0.648 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.398 -16.943 -1.444 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.980 -16.180 -0.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.742 -17.033 -3.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.292 -15.410 -2.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.781 -15.788 -3.589 1.00 0.00 H new ATOM 1139 N ILE A 77 8.269 -11.541 2.305 1.00 0.00 N ATOM 1140 CA ILE A 77 8.620 -11.797 3.696 1.00 0.00 C ATOM 1141 C ILE A 77 8.739 -13.293 3.966 1.00 0.00 C ATOM 1142 O ILE A 77 7.773 -14.042 3.814 1.00 0.00 O ATOM 1143 CB ILE A 77 7.580 -11.194 4.659 1.00 0.00 C ATOM 1144 CG1 ILE A 77 7.578 -9.667 4.551 1.00 0.00 C ATOM 1145 CG2 ILE A 77 7.867 -11.629 6.088 1.00 0.00 C ATOM 1146 CD1 ILE A 77 6.230 -9.043 4.836 1.00 0.00 C ATOM 0 H ILE A 77 7.274 -11.385 2.142 1.00 0.00 H new ATOM 0 HA ILE A 77 9.585 -11.321 3.871 1.00 0.00 H new ATOM 0 HB ILE A 77 6.592 -11.561 4.380 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.312 -9.261 5.247 1.00 0.00 H new ATOM 0 HG13 ILE A 77 7.897 -9.381 3.549 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.124 -11.195 6.757 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.823 -12.716 6.153 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.860 -11.288 6.380 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.303 -7.960 4.741 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.496 -9.421 4.124 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.918 -9.298 5.849 1.00 0.00 H new ATOM 1158 N THR A 78 9.930 -13.723 4.370 1.00 0.00 N ATOM 1159 CA THR A 78 10.176 -15.129 4.663 1.00 0.00 C ATOM 1160 C THR A 78 10.262 -15.372 6.166 1.00 0.00 C ATOM 1161 O THR A 78 10.087 -14.451 6.964 1.00 0.00 O ATOM 1162 CB THR A 78 11.476 -15.622 4.000 1.00 0.00 C ATOM 1163 OG1 THR A 78 12.526 -14.673 4.215 1.00 0.00 O ATOM 1164 CG2 THR A 78 11.276 -15.834 2.507 1.00 0.00 C ATOM 0 H THR A 78 10.740 -13.117 4.502 1.00 0.00 H new ATOM 0 HA THR A 78 9.334 -15.688 4.255 1.00 0.00 H new ATOM 0 HB THR A 78 11.749 -16.575 4.453 1.00 0.00 H new ATOM 0 HG1 THR A 78 13.349 -14.995 3.792 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.208 -16.182 2.061 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.496 -16.579 2.346 1.00 0.00 H new ATOM 0 HG23 THR A 78 10.980 -14.893 2.042 1.00 0.00 H new ATOM 1172 N LYS A 79 10.533 -16.616 6.545 1.00 0.00 N ATOM 1173 CA LYS A 79 10.645 -16.980 7.953 1.00 0.00 C ATOM 1174 C LYS A 79 9.320 -16.762 8.677 1.00 0.00 C ATOM 1175 O LYS A 79 9.279 -16.147 9.744 1.00 0.00 O ATOM 1176 CB LYS A 79 11.748 -16.161 8.627 1.00 0.00 C ATOM 1177 CG LYS A 79 13.107 -16.311 7.965 1.00 0.00 C ATOM 1178 CD LYS A 79 13.896 -17.461 8.568 1.00 0.00 C ATOM 1179 CE LYS A 79 14.410 -17.117 9.957 1.00 0.00 C ATOM 1180 NZ LYS A 79 15.500 -18.035 10.389 1.00 0.00 N ATOM 0 H LYS A 79 10.679 -17.390 5.897 1.00 0.00 H new ATOM 0 HA LYS A 79 10.901 -18.038 8.010 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.464 -15.109 8.620 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.827 -16.463 9.671 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.976 -16.479 6.896 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.671 -15.385 8.075 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.265 -18.348 8.622 1.00 0.00 H new ATOM 0 HD3 LYS A 79 14.736 -17.707 7.919 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.776 -16.090 9.965 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.588 -17.168 10.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.823 -17.767 11.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.144 -19.012 10.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.295 -17.968 9.722 1.00 0.00 H new ATOM 1194 N LEU A 80 8.241 -17.271 8.094 1.00 0.00 N ATOM 1195 CA LEU A 80 6.915 -17.133 8.685 1.00 0.00 C ATOM 1196 C LEU A 80 6.337 -18.496 9.051 1.00 0.00 C ATOM 1197 O LEU A 80 7.000 -19.523 8.900 1.00 0.00 O ATOM 1198 CB LEU A 80 5.975 -16.412 7.717 1.00 0.00 C ATOM 1199 CG LEU A 80 6.423 -15.024 7.256 1.00 0.00 C ATOM 1200 CD1 LEU A 80 5.508 -14.506 6.157 1.00 0.00 C ATOM 1201 CD2 LEU A 80 6.452 -14.056 8.429 1.00 0.00 C ATOM 0 H LEU A 80 8.258 -17.783 7.212 1.00 0.00 H new ATOM 0 HA LEU A 80 7.011 -16.543 9.596 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.841 -17.040 6.836 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.999 -16.318 8.192 1.00 0.00 H new ATOM 0 HG LEU A 80 7.432 -15.104 6.852 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.842 -13.518 5.841 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.538 -15.188 5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.487 -14.441 6.534 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.773 -13.074 8.082 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.455 -13.980 8.863 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.149 -14.420 9.184 1.00 0.00 H new ATOM 1213 N SER A 81 5.098 -18.499 9.530 1.00 0.00 N ATOM 1214 CA SER A 81 4.431 -19.737 9.919 1.00 0.00 C ATOM 1215 C SER A 81 3.074 -19.861 9.234 1.00 0.00 C ATOM 1216 O SER A 81 2.418 -18.869 8.914 1.00 0.00 O ATOM 1217 CB SER A 81 4.255 -19.791 11.437 1.00 0.00 C ATOM 1218 OG SER A 81 5.481 -19.539 12.102 1.00 0.00 O ATOM 0 H SER A 81 4.535 -17.658 9.658 1.00 0.00 H new ATOM 0 HA SER A 81 5.056 -20.572 9.603 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.512 -19.056 11.746 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.875 -20.770 11.728 1.00 0.00 H new ATOM 0 HG SER A 81 5.341 -19.577 13.071 1.00 0.00 H new ATOM 1224 N PRO A 82 2.641 -21.109 9.002 1.00 0.00 N ATOM 1225 CA PRO A 82 1.357 -21.394 8.353 1.00 0.00 C ATOM 1226 C PRO A 82 0.168 -21.041 9.240 1.00 0.00 C ATOM 1227 O PRO A 82 0.268 -21.064 10.466 1.00 0.00 O ATOM 1228 CB PRO A 82 1.412 -22.904 8.108 1.00 0.00 C ATOM 1229 CG PRO A 82 2.351 -23.422 9.142 1.00 0.00 C ATOM 1230 CD PRO A 82 3.370 -22.338 9.357 1.00 0.00 C ATOM 0 HA PRO A 82 1.219 -20.806 7.446 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.426 -23.357 8.207 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.767 -23.129 7.102 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.824 -23.651 10.068 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.827 -24.345 8.810 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.719 -22.314 10.389 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.248 -22.481 8.727 1.00 0.00 H new ATOM 1238 N ALA A 83 -0.956 -20.715 8.612 1.00 0.00 N ATOM 1239 CA ALA A 83 -2.165 -20.360 9.344 1.00 0.00 C ATOM 1240 C ALA A 83 -1.915 -19.180 10.278 1.00 0.00 C ATOM 1241 O ALA A 83 -2.361 -19.179 11.425 1.00 0.00 O ATOM 1242 CB ALA A 83 -2.678 -21.558 10.130 1.00 0.00 C ATOM 0 H ALA A 83 -1.055 -20.689 7.597 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.924 -20.063 8.620 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.581 -21.278 10.672 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.905 -22.374 9.443 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.916 -21.882 10.839 1.00 0.00 H new ATOM 1248 N MET A 84 -1.198 -18.179 9.779 1.00 0.00 N ATOM 1249 CA MET A 84 -0.889 -16.993 10.570 1.00 0.00 C ATOM 1250 C MET A 84 -1.471 -15.741 9.922 1.00 0.00 C ATOM 1251 O MET A 84 -1.318 -15.523 8.721 1.00 0.00 O ATOM 1252 CB MET A 84 0.625 -16.841 10.730 1.00 0.00 C ATOM 1253 CG MET A 84 1.038 -15.536 11.390 1.00 0.00 C ATOM 1254 SD MET A 84 1.029 -14.144 10.243 1.00 0.00 S ATOM 1255 CE MET A 84 2.727 -14.165 9.672 1.00 0.00 C ATOM 0 H MET A 84 -0.820 -18.165 8.832 1.00 0.00 H new ATOM 0 HA MET A 84 -1.341 -17.115 11.554 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.005 -17.674 11.321 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.094 -16.907 9.748 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.363 -15.323 12.219 1.00 0.00 H new ATOM 0 HG3 MET A 84 2.037 -15.647 11.813 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.216 -13.231 9.949 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.255 -15.001 10.131 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.745 -14.276 8.588 1.00 0.00 H new ATOM 1265 N GLY A 85 -2.141 -14.920 10.726 1.00 0.00 N ATOM 1266 CA GLY A 85 -2.736 -13.700 10.213 1.00 0.00 C ATOM 1267 C GLY A 85 -1.871 -12.481 10.467 1.00 0.00 C ATOM 1268 O GLY A 85 -1.654 -12.095 11.616 1.00 0.00 O ATOM 0 H GLY A 85 -2.282 -15.079 11.724 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.905 -13.805 9.141 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.711 -13.552 10.677 1.00 0.00 H new ATOM 1272 N CYS A 86 -1.376 -11.875 9.394 1.00 0.00 N ATOM 1273 CA CYS A 86 -0.528 -10.694 9.506 1.00 0.00 C ATOM 1274 C CYS A 86 -1.077 -9.548 8.662 1.00 0.00 C ATOM 1275 O CYS A 86 -1.482 -9.745 7.516 1.00 0.00 O ATOM 1276 CB CYS A 86 0.901 -11.024 9.073 1.00 0.00 C ATOM 1277 SG CYS A 86 1.003 -12.111 7.632 1.00 0.00 S ATOM 0 H CYS A 86 -1.547 -12.182 8.436 1.00 0.00 H new ATOM 0 HA CYS A 86 -0.520 -10.380 10.550 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.426 -10.095 8.852 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.423 -11.494 9.907 1.00 0.00 H new ATOM 0 HG CYS A 86 0.949 -11.398 6.546 1.00 0.00 H new ATOM 1283 N LYS A 87 -1.088 -8.350 9.236 1.00 0.00 N ATOM 1284 CA LYS A 87 -1.587 -7.171 8.537 1.00 0.00 C ATOM 1285 C LYS A 87 -0.435 -6.330 7.998 1.00 0.00 C ATOM 1286 O LYS A 87 0.668 -6.347 8.544 1.00 0.00 O ATOM 1287 CB LYS A 87 -2.454 -6.327 9.474 1.00 0.00 C ATOM 1288 CG LYS A 87 -3.704 -7.043 9.956 1.00 0.00 C ATOM 1289 CD LYS A 87 -4.535 -6.160 10.871 1.00 0.00 C ATOM 1290 CE LYS A 87 -5.858 -6.818 11.231 1.00 0.00 C ATOM 1291 NZ LYS A 87 -5.679 -7.927 12.208 1.00 0.00 N ATOM 0 H LYS A 87 -0.757 -8.169 10.184 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.193 -7.507 7.695 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.859 -6.031 10.338 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.746 -5.411 8.959 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.304 -7.346 9.098 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.422 -7.953 10.485 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.974 -5.947 11.781 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.724 -5.204 10.382 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.533 -6.071 11.649 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.330 -7.203 10.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.254 -8.743 11.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.677 -8.203 12.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.982 -7.611 13.151 1.00 0.00 H new ATOM 1305 N PHE A 88 -0.698 -5.593 6.924 1.00 0.00 N ATOM 1306 CA PHE A 88 0.317 -4.744 6.312 1.00 0.00 C ATOM 1307 C PHE A 88 -0.284 -3.415 5.862 1.00 0.00 C ATOM 1308 O PHE A 88 -1.502 -3.280 5.749 1.00 0.00 O ATOM 1309 CB PHE A 88 0.956 -5.457 5.119 1.00 0.00 C ATOM 1310 CG PHE A 88 1.377 -6.868 5.419 1.00 0.00 C ATOM 1311 CD1 PHE A 88 0.447 -7.895 5.426 1.00 0.00 C ATOM 1312 CD2 PHE A 88 2.702 -7.166 5.694 1.00 0.00 C ATOM 1313 CE1 PHE A 88 0.831 -9.194 5.701 1.00 0.00 C ATOM 1314 CE2 PHE A 88 3.091 -8.463 5.969 1.00 0.00 C ATOM 1315 CZ PHE A 88 2.155 -9.478 5.974 1.00 0.00 C ATOM 0 H PHE A 88 -1.606 -5.567 6.459 1.00 0.00 H new ATOM 0 HA PHE A 88 1.084 -4.541 7.059 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.249 -5.466 4.290 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.826 -4.889 4.790 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.590 -7.678 5.214 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.438 -6.376 5.693 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.097 -9.986 5.702 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.127 -8.683 6.180 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.457 -10.492 6.191 1.00 0.00 H new ATOM 1325 N ARG A 89 0.580 -2.438 5.607 1.00 0.00 N ATOM 1326 CA ARG A 89 0.135 -1.120 5.171 1.00 0.00 C ATOM 1327 C ARG A 89 1.165 -0.477 4.246 1.00 0.00 C ATOM 1328 O ARG A 89 2.367 -0.522 4.511 1.00 0.00 O ATOM 1329 CB ARG A 89 -0.113 -0.217 6.381 1.00 0.00 C ATOM 1330 CG ARG A 89 1.135 0.059 7.203 1.00 0.00 C ATOM 1331 CD ARG A 89 0.900 1.163 8.221 1.00 0.00 C ATOM 1332 NE ARG A 89 -0.142 0.809 9.181 1.00 0.00 N ATOM 1333 CZ ARG A 89 -0.233 1.339 10.396 1.00 0.00 C ATOM 1334 NH1 ARG A 89 0.651 2.243 10.796 1.00 0.00 N ATOM 1335 NH2 ARG A 89 -1.209 0.966 11.213 1.00 0.00 N ATOM 0 H ARG A 89 1.592 -2.534 5.695 1.00 0.00 H new ATOM 0 HA ARG A 89 -0.797 -1.242 4.619 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.528 0.731 6.037 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.864 -0.680 7.021 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.442 -0.852 7.717 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.953 0.342 6.540 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.829 1.369 8.753 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.619 2.080 7.703 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.838 0.117 8.904 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.403 2.533 10.170 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.579 2.649 11.729 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.891 0.271 10.909 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.277 1.374 12.145 1.00 0.00 H new ATOM 1349 N LEU A 90 0.686 0.119 3.160 1.00 0.00 N ATOM 1350 CA LEU A 90 1.564 0.771 2.195 1.00 0.00 C ATOM 1351 C LEU A 90 1.381 2.285 2.228 1.00 0.00 C ATOM 1352 O LEU A 90 0.264 2.783 2.363 1.00 0.00 O ATOM 1353 CB LEU A 90 1.287 0.244 0.786 1.00 0.00 C ATOM 1354 CG LEU A 90 2.203 0.769 -0.320 1.00 0.00 C ATOM 1355 CD1 LEU A 90 3.595 0.173 -0.188 1.00 0.00 C ATOM 1356 CD2 LEU A 90 1.616 0.462 -1.689 1.00 0.00 C ATOM 0 H LEU A 90 -0.306 0.164 2.926 1.00 0.00 H new ATOM 0 HA LEU A 90 2.594 0.542 2.466 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.361 -0.843 0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.258 0.489 0.524 1.00 0.00 H new ATOM 0 HG LEU A 90 2.283 1.851 -0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.233 0.558 -0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.017 0.445 0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.535 -0.913 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.281 0.843 -2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.505 -0.616 -1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.640 0.939 -1.782 1.00 0.00 H new ATOM 1368 N SER A 91 2.487 3.012 2.103 1.00 0.00 N ATOM 1369 CA SER A 91 2.450 4.470 2.121 1.00 0.00 C ATOM 1370 C SER A 91 3.632 5.053 1.352 1.00 0.00 C ATOM 1371 O SER A 91 4.745 4.533 1.416 1.00 0.00 O ATOM 1372 CB SER A 91 2.460 4.984 3.561 1.00 0.00 C ATOM 1373 OG SER A 91 3.738 4.823 4.151 1.00 0.00 O ATOM 0 H SER A 91 3.420 2.615 1.988 1.00 0.00 H new ATOM 0 HA SER A 91 1.529 4.791 1.635 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.179 6.037 3.577 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.715 4.446 4.148 1.00 0.00 H new ATOM 0 HG SER A 91 3.634 4.553 5.087 1.00 0.00 H new ATOM 1379 N ALA A 92 3.380 6.137 0.626 1.00 0.00 N ATOM 1380 CA ALA A 92 4.423 6.793 -0.153 1.00 0.00 C ATOM 1381 C ALA A 92 4.910 8.062 0.539 1.00 0.00 C ATOM 1382 O ALA A 92 4.112 8.841 1.061 1.00 0.00 O ATOM 1383 CB ALA A 92 3.913 7.115 -1.551 1.00 0.00 C ATOM 0 H ALA A 92 2.463 6.579 0.561 1.00 0.00 H new ATOM 0 HA ALA A 92 5.267 6.108 -0.234 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.702 7.605 -2.122 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.620 6.193 -2.053 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.051 7.778 -1.480 1.00 0.00 H new ATOM 1389 N ARG A 93 6.224 8.262 0.541 1.00 0.00 N ATOM 1390 CA ARG A 93 6.817 9.435 1.171 1.00 0.00 C ATOM 1391 C ARG A 93 7.696 10.196 0.184 1.00 0.00 C ATOM 1392 O ARG A 93 8.413 9.596 -0.616 1.00 0.00 O ATOM 1393 CB ARG A 93 7.641 9.022 2.392 1.00 0.00 C ATOM 1394 CG ARG A 93 8.587 10.106 2.883 1.00 0.00 C ATOM 1395 CD ARG A 93 9.523 9.583 3.961 1.00 0.00 C ATOM 1396 NE ARG A 93 10.678 10.455 4.154 1.00 0.00 N ATOM 1397 CZ ARG A 93 11.508 10.359 5.187 1.00 0.00 C ATOM 1398 NH1 ARG A 93 11.311 9.432 6.115 1.00 0.00 N ATOM 1399 NH2 ARG A 93 12.537 11.189 5.293 1.00 0.00 N ATOM 0 H ARG A 93 6.898 7.627 0.113 1.00 0.00 H new ATOM 0 HA ARG A 93 6.009 10.092 1.492 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.964 8.749 3.201 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.219 8.131 2.145 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.172 10.487 2.046 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.010 10.943 3.276 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.978 9.490 4.900 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.865 8.584 3.691 1.00 0.00 H new ATOM 0 HE ARG A 93 10.858 11.178 3.457 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.521 8.791 6.036 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.949 9.360 6.907 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.692 11.903 4.581 1.00 0.00 H new ATOM 0 HH22 ARG A 93 13.173 11.114 6.087 1.00 0.00 H new ATOM 1413 N ASN A 94 7.636 11.523 0.246 1.00 0.00 N ATOM 1414 CA ASN A 94 8.426 12.367 -0.643 1.00 0.00 C ATOM 1415 C ASN A 94 9.349 13.283 0.154 1.00 0.00 C ATOM 1416 O ASN A 94 9.389 13.223 1.384 1.00 0.00 O ATOM 1417 CB ASN A 94 7.507 13.202 -1.537 1.00 0.00 C ATOM 1418 CG ASN A 94 6.511 14.020 -0.738 1.00 0.00 C ATOM 1419 OD1 ASN A 94 6.559 14.048 0.492 1.00 0.00 O ATOM 1420 ND2 ASN A 94 5.602 14.691 -1.436 1.00 0.00 N ATOM 0 H ASN A 94 7.048 12.037 0.903 1.00 0.00 H new ATOM 0 HA ASN A 94 9.040 11.719 -1.269 1.00 0.00 H new ATOM 0 HB2 ASN A 94 8.111 13.869 -2.152 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.969 12.542 -2.217 1.00 0.00 H new ATOM 0 HD21 ASN A 94 4.906 15.259 -0.953 1.00 0.00 H new ATOM 0 HD22 ASN A 94 5.600 14.638 -2.455 1.00 0.00 H new ATOM 1427 N ASP A 95 10.088 14.130 -0.553 1.00 0.00 N ATOM 1428 CA ASP A 95 11.010 15.061 0.088 1.00 0.00 C ATOM 1429 C ASP A 95 10.341 15.763 1.265 1.00 0.00 C ATOM 1430 O ASP A 95 11.009 16.194 2.205 1.00 0.00 O ATOM 1431 CB ASP A 95 11.509 16.095 -0.922 1.00 0.00 C ATOM 1432 CG ASP A 95 10.565 17.274 -1.058 1.00 0.00 C ATOM 1433 OD1 ASP A 95 9.439 17.077 -1.560 1.00 0.00 O ATOM 1434 OD2 ASP A 95 10.953 18.393 -0.664 1.00 0.00 O ATOM 0 H ASP A 95 10.067 14.192 -1.571 1.00 0.00 H new ATOM 0 HA ASP A 95 11.861 14.492 0.463 1.00 0.00 H new ATOM 0 HB2 ASP A 95 12.492 16.454 -0.615 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.633 15.618 -1.894 1.00 0.00 H new ATOM 1439 N TYR A 96 9.019 15.876 1.207 1.00 0.00 N ATOM 1440 CA TYR A 96 8.260 16.529 2.266 1.00 0.00 C ATOM 1441 C TYR A 96 8.048 15.586 3.447 1.00 0.00 C ATOM 1442 O TYR A 96 8.613 15.782 4.522 1.00 0.00 O ATOM 1443 CB TYR A 96 6.908 17.008 1.733 1.00 0.00 C ATOM 1444 CG TYR A 96 7.006 17.771 0.432 1.00 0.00 C ATOM 1445 CD1 TYR A 96 8.105 18.576 0.157 1.00 0.00 C ATOM 1446 CD2 TYR A 96 6.001 17.687 -0.523 1.00 0.00 C ATOM 1447 CE1 TYR A 96 8.199 19.275 -1.031 1.00 0.00 C ATOM 1448 CE2 TYR A 96 6.087 18.382 -1.714 1.00 0.00 C ATOM 1449 CZ TYR A 96 7.187 19.174 -1.963 1.00 0.00 C ATOM 1450 OH TYR A 96 7.276 19.869 -3.148 1.00 0.00 O ATOM 0 H TYR A 96 8.451 15.523 0.437 1.00 0.00 H new ATOM 0 HA TYR A 96 8.833 17.390 2.610 1.00 0.00 H new ATOM 0 HB2 TYR A 96 6.257 16.146 1.590 1.00 0.00 H new ATOM 0 HB3 TYR A 96 6.436 17.643 2.482 1.00 0.00 H new ATOM 0 HD1 TYR A 96 8.899 18.657 0.884 1.00 0.00 H new ATOM 0 HD2 TYR A 96 5.137 17.068 -0.331 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.060 19.897 -1.229 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.297 18.305 -2.446 1.00 0.00 H new ATOM 0 HH TYR A 96 6.482 19.688 -3.694 1.00 0.00 H new ATOM 1460 N GLY A 97 7.230 14.559 3.236 1.00 0.00 N ATOM 1461 CA GLY A 97 6.957 13.600 4.290 1.00 0.00 C ATOM 1462 C GLY A 97 6.209 12.381 3.786 1.00 0.00 C ATOM 1463 O GLY A 97 6.067 12.186 2.578 1.00 0.00 O ATOM 0 H GLY A 97 6.752 14.374 2.354 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.897 13.284 4.742 1.00 0.00 H new ATOM 0 HA3 GLY A 97 6.373 14.083 5.074 1.00 0.00 H new ATOM 1467 N THR A 98 5.731 11.557 4.712 1.00 0.00 N ATOM 1468 CA THR A 98 4.997 10.349 4.355 1.00 0.00 C ATOM 1469 C THR A 98 3.495 10.610 4.318 1.00 0.00 C ATOM 1470 O THR A 98 2.934 11.193 5.245 1.00 0.00 O ATOM 1471 CB THR A 98 5.283 9.204 5.345 1.00 0.00 C ATOM 1472 OG1 THR A 98 6.694 8.977 5.436 1.00 0.00 O ATOM 1473 CG2 THR A 98 4.585 7.925 4.909 1.00 0.00 C ATOM 0 H THR A 98 5.839 11.704 5.716 1.00 0.00 H new ATOM 0 HA THR A 98 5.337 10.054 3.362 1.00 0.00 H new ATOM 0 HB THR A 98 4.898 9.493 6.323 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.868 8.249 6.068 1.00 0.00 H new ATOM 0 HG21 THR A 98 4.802 7.131 5.623 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.509 8.093 4.869 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.944 7.633 3.922 1.00 0.00 H new ATOM 1481 N SER A 99 2.850 10.174 3.241 1.00 0.00 N ATOM 1482 CA SER A 99 1.413 10.363 3.082 1.00 0.00 C ATOM 1483 C SER A 99 0.637 9.282 3.828 1.00 0.00 C ATOM 1484 O SER A 99 1.143 8.184 4.058 1.00 0.00 O ATOM 1485 CB SER A 99 1.036 10.346 1.600 1.00 0.00 C ATOM 1486 OG SER A 99 1.427 9.130 0.988 1.00 0.00 O ATOM 0 H SER A 99 3.300 9.687 2.466 1.00 0.00 H new ATOM 0 HA SER A 99 1.150 11.332 3.505 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.040 10.480 1.494 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.513 11.183 1.091 1.00 0.00 H new ATOM 0 HG SER A 99 2.400 9.030 1.052 1.00 0.00 H new ATOM 1492 N GLY A 100 -0.598 9.601 4.205 1.00 0.00 N ATOM 1493 CA GLY A 100 -1.425 8.648 4.921 1.00 0.00 C ATOM 1494 C GLY A 100 -1.194 7.222 4.465 1.00 0.00 C ATOM 1495 O GLY A 100 -0.919 6.975 3.290 1.00 0.00 O ATOM 0 H GLY A 100 -1.040 10.503 4.027 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.218 8.723 5.989 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.475 8.905 4.781 1.00 0.00 H new ATOM 1499 N PHE A 101 -1.303 6.279 5.395 1.00 0.00 N ATOM 1500 CA PHE A 101 -1.101 4.869 5.082 1.00 0.00 C ATOM 1501 C PHE A 101 -2.368 4.256 4.493 1.00 0.00 C ATOM 1502 O PHE A 101 -3.474 4.512 4.968 1.00 0.00 O ATOM 1503 CB PHE A 101 -0.686 4.100 6.338 1.00 0.00 C ATOM 1504 CG PHE A 101 0.610 4.575 6.930 1.00 0.00 C ATOM 1505 CD1 PHE A 101 1.815 4.025 6.524 1.00 0.00 C ATOM 1506 CD2 PHE A 101 0.624 5.572 7.893 1.00 0.00 C ATOM 1507 CE1 PHE A 101 3.009 4.459 7.068 1.00 0.00 C ATOM 1508 CE2 PHE A 101 1.815 6.010 8.440 1.00 0.00 C ATOM 1509 CZ PHE A 101 3.009 5.454 8.026 1.00 0.00 C ATOM 0 H PHE A 101 -1.530 6.466 6.372 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.305 4.798 4.341 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -1.473 4.191 7.087 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.598 3.041 6.094 1.00 0.00 H new ATOM 0 HD1 PHE A 101 1.821 3.248 5.774 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -0.307 6.012 8.220 1.00 0.00 H new ATOM 0 HE1 PHE A 101 3.941 4.020 6.744 1.00 0.00 H new ATOM 0 HE2 PHE A 101 1.812 6.786 9.191 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.941 5.796 8.450 1.00 0.00 H new ATOM 1519 N SER A 102 -2.198 3.445 3.453 1.00 0.00 N ATOM 1520 CA SER A 102 -3.327 2.798 2.795 1.00 0.00 C ATOM 1521 C SER A 102 -4.195 2.057 3.808 1.00 0.00 C ATOM 1522 O SER A 102 -3.921 2.079 5.008 1.00 0.00 O ATOM 1523 CB SER A 102 -2.831 1.825 1.723 1.00 0.00 C ATOM 1524 OG SER A 102 -2.122 0.744 2.305 1.00 0.00 O ATOM 0 H SER A 102 -1.289 3.221 3.048 1.00 0.00 H new ATOM 0 HA SER A 102 -3.932 3.572 2.322 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.678 1.444 1.153 1.00 0.00 H new ATOM 0 HB3 SER A 102 -2.185 2.351 1.020 1.00 0.00 H new ATOM 0 HG SER A 102 -1.817 0.136 1.600 1.00 0.00 H new ATOM 1530 N GLU A 103 -5.242 1.404 3.315 1.00 0.00 N ATOM 1531 CA GLU A 103 -6.150 0.657 4.177 1.00 0.00 C ATOM 1532 C GLU A 103 -5.510 -0.648 4.642 1.00 0.00 C ATOM 1533 O GLU A 103 -4.988 -1.417 3.835 1.00 0.00 O ATOM 1534 CB GLU A 103 -7.459 0.361 3.441 1.00 0.00 C ATOM 1535 CG GLU A 103 -8.512 1.444 3.613 1.00 0.00 C ATOM 1536 CD GLU A 103 -9.096 1.472 5.012 1.00 0.00 C ATOM 1537 OE1 GLU A 103 -8.434 2.014 5.921 1.00 0.00 O ATOM 1538 OE2 GLU A 103 -10.217 0.952 5.196 1.00 0.00 O ATOM 0 H GLU A 103 -5.482 1.377 2.324 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.363 1.269 5.053 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.249 0.236 2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.862 -0.586 3.800 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.070 2.415 3.388 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -9.313 1.284 2.892 1.00 0.00 H new ATOM 1545 N GLU A 104 -5.554 -0.889 5.949 1.00 0.00 N ATOM 1546 CA GLU A 104 -4.977 -2.099 6.521 1.00 0.00 C ATOM 1547 C GLU A 104 -5.592 -3.346 5.892 1.00 0.00 C ATOM 1548 O GLU A 104 -6.810 -3.438 5.734 1.00 0.00 O ATOM 1549 CB GLU A 104 -5.186 -2.123 8.037 1.00 0.00 C ATOM 1550 CG GLU A 104 -4.684 -0.873 8.740 1.00 0.00 C ATOM 1551 CD GLU A 104 -3.283 -0.483 8.309 1.00 0.00 C ATOM 1552 OE1 GLU A 104 -3.148 0.163 7.249 1.00 0.00 O ATOM 1553 OE2 GLU A 104 -2.323 -0.824 9.030 1.00 0.00 O ATOM 0 H GLU A 104 -5.983 -0.263 6.630 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.908 -2.096 6.309 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.248 -2.246 8.247 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.676 -2.993 8.452 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.366 -0.047 8.536 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.696 -1.037 9.817 1.00 0.00 H new ATOM 1560 N VAL A 105 -4.742 -4.303 5.536 1.00 0.00 N ATOM 1561 CA VAL A 105 -5.201 -5.545 4.924 1.00 0.00 C ATOM 1562 C VAL A 105 -4.747 -6.755 5.732 1.00 0.00 C ATOM 1563 O VAL A 105 -3.570 -6.883 6.071 1.00 0.00 O ATOM 1564 CB VAL A 105 -4.686 -5.683 3.479 1.00 0.00 C ATOM 1565 CG1 VAL A 105 -5.233 -4.562 2.608 1.00 0.00 C ATOM 1566 CG2 VAL A 105 -3.165 -5.694 3.455 1.00 0.00 C ATOM 0 H VAL A 105 -3.731 -4.243 5.661 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.290 -5.508 4.911 1.00 0.00 H new ATOM 0 HB VAL A 105 -5.040 -6.631 3.074 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.858 -4.676 1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -6.322 -4.605 2.601 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.911 -3.600 3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.818 -5.792 2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.788 -4.763 3.878 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.798 -6.535 4.043 1.00 0.00 H new ATOM 1576 N LEU A 106 -5.687 -7.643 6.037 1.00 0.00 N ATOM 1577 CA LEU A 106 -5.384 -8.845 6.805 1.00 0.00 C ATOM 1578 C LEU A 106 -5.203 -10.048 5.884 1.00 0.00 C ATOM 1579 O LEU A 106 -6.134 -10.460 5.193 1.00 0.00 O ATOM 1580 CB LEU A 106 -6.500 -9.125 7.813 1.00 0.00 C ATOM 1581 CG LEU A 106 -6.330 -10.379 8.672 1.00 0.00 C ATOM 1582 CD1 LEU A 106 -5.080 -10.272 9.531 1.00 0.00 C ATOM 1583 CD2 LEU A 106 -7.559 -10.600 9.541 1.00 0.00 C ATOM 0 H LEU A 106 -6.666 -7.553 5.764 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.451 -8.677 7.342 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.588 -8.264 8.476 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.441 -9.206 7.269 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.218 -11.238 8.010 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -4.976 -11.173 10.135 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.206 -10.162 8.889 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.161 -9.404 10.185 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.421 -11.496 10.145 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.702 -9.740 10.195 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.436 -10.722 8.906 1.00 0.00 H new ATOM 1595 N TYR A 107 -3.998 -10.608 5.882 1.00 0.00 N ATOM 1596 CA TYR A 107 -3.694 -11.763 5.046 1.00 0.00 C ATOM 1597 C TYR A 107 -3.376 -12.986 5.902 1.00 0.00 C ATOM 1598 O TYR A 107 -2.990 -12.861 7.064 1.00 0.00 O ATOM 1599 CB TYR A 107 -2.515 -11.454 4.122 1.00 0.00 C ATOM 1600 CG TYR A 107 -2.914 -10.738 2.851 1.00 0.00 C ATOM 1601 CD1 TYR A 107 -3.553 -11.416 1.820 1.00 0.00 C ATOM 1602 CD2 TYR A 107 -2.650 -9.384 2.681 1.00 0.00 C ATOM 1603 CE1 TYR A 107 -3.919 -10.766 0.657 1.00 0.00 C ATOM 1604 CE2 TYR A 107 -3.013 -8.726 1.522 1.00 0.00 C ATOM 1605 CZ TYR A 107 -3.647 -9.421 0.513 1.00 0.00 C ATOM 1606 OH TYR A 107 -4.009 -8.769 -0.644 1.00 0.00 O ATOM 0 H TYR A 107 -3.216 -10.281 6.450 1.00 0.00 H new ATOM 0 HA TYR A 107 -4.574 -11.983 4.441 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -1.792 -10.843 4.662 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -2.014 -12.386 3.862 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -3.767 -12.469 1.930 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -2.153 -8.837 3.468 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.415 -11.308 -0.135 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.802 -7.673 1.406 1.00 0.00 H new ATOM 0 HH TYR A 107 -3.924 -7.801 -0.515 1.00 0.00 H new ATOM 1616 N TYR A 108 -3.542 -14.167 5.318 1.00 0.00 N ATOM 1617 CA TYR A 108 -3.275 -15.414 6.025 1.00 0.00 C ATOM 1618 C TYR A 108 -2.427 -16.353 5.174 1.00 0.00 C ATOM 1619 O TYR A 108 -2.856 -16.806 4.112 1.00 0.00 O ATOM 1620 CB TYR A 108 -4.588 -16.099 6.407 1.00 0.00 C ATOM 1621 CG TYR A 108 -5.087 -15.727 7.785 1.00 0.00 C ATOM 1622 CD1 TYR A 108 -5.812 -14.560 7.992 1.00 0.00 C ATOM 1623 CD2 TYR A 108 -4.833 -16.543 8.881 1.00 0.00 C ATOM 1624 CE1 TYR A 108 -6.269 -14.215 9.249 1.00 0.00 C ATOM 1625 CE2 TYR A 108 -5.288 -16.207 10.142 1.00 0.00 C ATOM 1626 CZ TYR A 108 -6.005 -15.043 10.321 1.00 0.00 C ATOM 1627 OH TYR A 108 -6.458 -14.704 11.575 1.00 0.00 O ATOM 0 H TYR A 108 -3.860 -14.287 4.356 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.720 -15.176 6.932 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.350 -15.840 5.672 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.452 -17.179 6.359 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -6.022 -13.911 7.155 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -4.271 -17.455 8.745 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -6.829 -13.303 9.392 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -5.083 -16.853 10.983 1.00 0.00 H new ATOM 0 HH TYR A 108 -6.189 -15.393 12.218 1.00 0.00 H new ATOM 1637 N THR A 109 -1.219 -16.643 5.647 1.00 0.00 N ATOM 1638 CA THR A 109 -0.309 -17.528 4.931 1.00 0.00 C ATOM 1639 C THR A 109 -1.042 -18.751 4.393 1.00 0.00 C ATOM 1640 O THR A 109 -2.114 -19.109 4.880 1.00 0.00 O ATOM 1641 CB THR A 109 0.849 -17.993 5.834 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.333 -18.502 7.069 1.00 0.00 O ATOM 1643 CG2 THR A 109 1.811 -16.848 6.113 1.00 0.00 C ATOM 0 H THR A 109 -0.848 -16.277 6.524 1.00 0.00 H new ATOM 0 HA THR A 109 0.098 -16.956 4.097 1.00 0.00 H new ATOM 0 HB THR A 109 1.391 -18.783 5.315 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.069 -18.627 7.704 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.620 -17.200 6.753 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.224 -16.483 5.173 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.279 -16.039 6.614 1.00 0.00 H new ATOM 1651 N SER A 110 -0.457 -19.390 3.385 1.00 0.00 N ATOM 1652 CA SER A 110 -1.056 -20.573 2.778 1.00 0.00 C ATOM 1653 C SER A 110 -1.707 -21.456 3.838 1.00 0.00 C ATOM 1654 O SER A 110 -2.826 -21.937 3.661 1.00 0.00 O ATOM 1655 CB SER A 110 0.001 -21.370 2.012 1.00 0.00 C ATOM 1656 OG SER A 110 -0.600 -22.359 1.193 1.00 0.00 O ATOM 0 H SER A 110 0.432 -19.108 2.971 1.00 0.00 H new ATOM 0 HA SER A 110 -1.827 -20.243 2.081 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.594 -20.695 1.396 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.685 -21.843 2.716 1.00 0.00 H new ATOM 0 HG SER A 110 0.097 -22.854 0.713 1.00 0.00 H new ATOM 1662 N GLY A 111 -0.996 -21.667 4.942 1.00 0.00 N ATOM 1663 CA GLY A 111 -1.519 -22.492 6.015 1.00 0.00 C ATOM 1664 C GLY A 111 -2.185 -23.754 5.504 1.00 0.00 C ATOM 1665 O GLY A 111 -1.650 -24.435 4.628 1.00 0.00 O ATOM 0 H GLY A 111 -0.067 -21.281 5.112 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.707 -22.761 6.691 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.239 -21.915 6.595 1.00 0.00 H new ATOM 1669 N CYS A 112 -3.354 -24.068 6.051 1.00 0.00 N ATOM 1670 CA CYS A 112 -4.093 -25.259 5.647 1.00 0.00 C ATOM 1671 C CYS A 112 -5.328 -24.883 4.835 1.00 0.00 C ATOM 1672 O CYS A 112 -6.254 -24.255 5.349 1.00 0.00 O ATOM 1673 CB CYS A 112 -4.504 -26.071 6.876 1.00 0.00 C ATOM 1674 SG CYS A 112 -3.112 -26.679 7.858 1.00 0.00 S ATOM 0 H CYS A 112 -3.811 -23.514 6.776 1.00 0.00 H new ATOM 0 HA CYS A 112 -3.440 -25.867 5.021 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -5.140 -25.453 7.510 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -5.105 -26.921 6.552 1.00 0.00 H new ATOM 0 HG CYS A 112 -3.560 -27.352 8.876 1.00 0.00 H new ATOM 1680 N SER A 113 -5.334 -25.269 3.563 1.00 0.00 N ATOM 1681 CA SER A 113 -6.452 -24.967 2.678 1.00 0.00 C ATOM 1682 C SER A 113 -6.928 -26.224 1.956 1.00 0.00 C ATOM 1683 O SER A 113 -6.123 -27.022 1.478 1.00 0.00 O ATOM 1684 CB SER A 113 -6.049 -23.901 1.657 1.00 0.00 C ATOM 1685 OG SER A 113 -5.171 -24.435 0.682 1.00 0.00 O ATOM 0 H SER A 113 -4.577 -25.792 3.123 1.00 0.00 H new ATOM 0 HA SER A 113 -7.272 -24.585 3.287 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.940 -23.504 1.170 1.00 0.00 H new ATOM 0 HB3 SER A 113 -5.567 -23.068 2.168 1.00 0.00 H new ATOM 0 HG SER A 113 -4.930 -23.735 0.040 1.00 0.00 H new ATOM 1691 N GLY A 114 -8.245 -26.394 1.882 1.00 0.00 N ATOM 1692 CA GLY A 114 -8.807 -27.556 1.217 1.00 0.00 C ATOM 1693 C GLY A 114 -9.673 -27.182 0.031 1.00 0.00 C ATOM 1694 O GLY A 114 -9.233 -27.205 -1.118 1.00 0.00 O ATOM 0 H GLY A 114 -8.932 -25.748 2.270 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -7.998 -28.206 0.882 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.400 -28.128 1.931 1.00 0.00 H new ATOM 1698 N PRO A 115 -10.939 -26.831 0.305 1.00 0.00 N ATOM 1699 CA PRO A 115 -11.896 -26.446 -0.736 1.00 0.00 C ATOM 1700 C PRO A 115 -11.555 -25.100 -1.368 1.00 0.00 C ATOM 1701 O PRO A 115 -11.944 -24.049 -0.860 1.00 0.00 O ATOM 1702 CB PRO A 115 -13.225 -26.361 0.018 1.00 0.00 C ATOM 1703 CG PRO A 115 -12.842 -26.079 1.430 1.00 0.00 C ATOM 1704 CD PRO A 115 -11.532 -26.782 1.652 1.00 0.00 C ATOM 0 HA PRO A 115 -11.905 -27.155 -1.564 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -13.859 -25.572 -0.385 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -13.786 -27.292 -0.062 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -12.743 -25.007 1.601 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -13.602 -26.443 2.121 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -10.897 -26.238 2.351 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -11.677 -27.781 2.064 1.00 0.00 H new ATOM 1712 N SER A 116 -10.827 -25.141 -2.479 1.00 0.00 N ATOM 1713 CA SER A 116 -10.432 -23.924 -3.179 1.00 0.00 C ATOM 1714 C SER A 116 -11.637 -23.259 -3.837 1.00 0.00 C ATOM 1715 O SER A 116 -12.140 -23.731 -4.856 1.00 0.00 O ATOM 1716 CB SER A 116 -9.370 -24.240 -4.234 1.00 0.00 C ATOM 1717 OG SER A 116 -8.076 -24.289 -3.657 1.00 0.00 O ATOM 0 H SER A 116 -10.499 -26.003 -2.914 1.00 0.00 H new ATOM 0 HA SER A 116 -10.013 -23.233 -2.447 1.00 0.00 H new ATOM 0 HB2 SER A 116 -9.597 -25.195 -4.708 1.00 0.00 H new ATOM 0 HB3 SER A 116 -9.394 -23.482 -5.017 1.00 0.00 H new ATOM 0 HG SER A 116 -7.416 -24.494 -4.351 1.00 0.00 H new ATOM 1723 N SER A 117 -12.095 -22.160 -3.245 1.00 0.00 N ATOM 1724 CA SER A 117 -13.243 -21.432 -3.771 1.00 0.00 C ATOM 1725 C SER A 117 -14.270 -22.391 -4.364 1.00 0.00 C ATOM 1726 O SER A 117 -14.812 -22.150 -5.442 1.00 0.00 O ATOM 1727 CB SER A 117 -12.794 -20.426 -4.833 1.00 0.00 C ATOM 1728 OG SER A 117 -12.140 -19.317 -4.241 1.00 0.00 O ATOM 0 H SER A 117 -11.689 -21.755 -2.402 1.00 0.00 H new ATOM 0 HA SER A 117 -13.709 -20.894 -2.946 1.00 0.00 H new ATOM 0 HB2 SER A 117 -12.122 -20.914 -5.539 1.00 0.00 H new ATOM 0 HB3 SER A 117 -13.658 -20.082 -5.401 1.00 0.00 H new ATOM 0 HG SER A 117 -11.861 -18.690 -4.941 1.00 0.00 H new ATOM 1734 N GLY A 118 -14.533 -23.482 -3.651 1.00 0.00 N ATOM 1735 CA GLY A 118 -15.494 -24.462 -4.122 1.00 0.00 C ATOM 1736 C GLY A 118 -16.827 -24.358 -3.408 1.00 0.00 C ATOM 1737 O GLY A 118 -17.555 -25.344 -3.290 1.00 0.00 O ATOM 0 H GLY A 118 -14.098 -23.705 -2.756 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -15.648 -24.330 -5.193 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -15.087 -25.463 -3.980 1.00 0.00 H new TER 1741 GLY A 118