USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 719 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 67 SER OG : rot 63:sc= 1.19 USER MOD Set 1.2: A 86 ASN :FLIP amide:sc= -3.89! C(o=-7.7!,f=-2.7!) USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0.596 USER MOD Set 2.2: A 31 THR OG1 : rot -103:sc= 0.517 USER MOD Set 3.1: A 30 ASN : amide:sc= 0.356 X(o=1.3,f=1.6) USER MOD Set 3.2: A 32 SER OG : rot -7:sc= 0.967 USER MOD Set 4.1: A 7 THR OG1 : rot -60:sc= 1.14 USER MOD Set 4.2: A 93 ASN : amide:sc= -2.38 K(o=-1.2,f=-5.8!) USER MOD Single : A 1 LEU N :NH3+ -157:sc= -0.213 (180deg=-0.867) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -1.75 X(o=-1.8,f=-2!) USER MOD Single : A 9 TYR OH : rot 169:sc= 0.6 USER MOD Single : A 10 ASN : amide:sc= -2.14 K(o=-2.1,f=-6!) USER MOD Single : A 11 SER OG : rot -170:sc= -1.16 USER MOD Single : A 14 GLN : amide:sc= -0.398 X(o=-0.4,f=-0.3) USER MOD Single : A 16 SER OG : rot 85:sc= 0.102 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.379 USER MOD Single : A 20 SER OG : rot -6:sc= -0.0951 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.352 USER MOD Single : A 26 ASN : amide:sc= -0.0278 K(o=-0.028,f=-0.85) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -0.983 F(o=-2.3!,f=-0.98) USER MOD Single : A 38 SER OG : rot -45:sc= 0.121 USER MOD Single : A 46 SER OG : rot 91:sc= 0.0343 USER MOD Single : A 48 LYS NZ :NH3+ 169:sc= -0.358 (180deg=-0.54) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc=-0.00638 X(o=-0.0064,f=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 150:sc= -0.397! USER MOD Single : A 62 GLN : amide:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 140:sc= 0.425 USER MOD Single : A 79 GLN : amide:sc= -0.312 X(o=-0.31,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -27:sc= 0.415 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HE2:sc= 0.0596 K(o=0.06,f=-0.63) USER MOD Single : A 97 THR OG1 : rot -88:sc= 0.883 USER MOD Single : A 99 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0474) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -3.997 -2.147 -15.097 1.00 0.00 N ATOM 2 CA LEU A 1 -3.776 -2.735 -13.781 1.00 0.00 C ATOM 3 C LEU A 1 -3.648 -1.649 -12.720 1.00 0.00 C ATOM 4 O LEU A 1 -3.276 -0.514 -13.018 1.00 0.00 O ATOM 5 CB LEU A 1 -2.493 -3.570 -13.782 1.00 0.00 C ATOM 6 CG LEU A 1 -2.523 -4.613 -14.908 1.00 0.00 C ATOM 7 CD1 LEU A 1 -1.172 -5.336 -14.948 1.00 0.00 C ATOM 8 CD2 LEU A 1 -3.649 -5.636 -14.662 1.00 0.00 C ATOM 0 H1 LEU A 1 -4.457 -2.844 -15.716 1.00 0.00 H new ATOM 0 H2 LEU A 1 -4.607 -1.310 -15.005 1.00 0.00 H new ATOM 0 H3 LEU A 1 -3.084 -1.867 -15.510 1.00 0.00 H new ATOM 0 HA LEU A 1 -4.632 -3.369 -13.551 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -1.629 -2.917 -13.907 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -2.378 -4.070 -12.820 1.00 0.00 H new ATOM 0 HG LEU A 1 -2.710 -4.113 -15.858 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -1.181 -6.080 -15.744 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -0.378 -4.613 -15.136 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -0.995 -5.830 -13.992 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -3.657 -6.369 -15.469 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -3.478 -6.144 -13.713 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -4.609 -5.120 -14.630 1.00 0.00 H new ATOM 22 N GLY A 2 -3.940 -2.015 -11.476 1.00 0.00 N ATOM 23 CA GLY A 2 -3.838 -1.082 -10.367 1.00 0.00 C ATOM 24 C GLY A 2 -5.050 -0.184 -10.233 1.00 0.00 C ATOM 25 O GLY A 2 -6.193 -0.639 -10.277 1.00 0.00 O ATOM 0 H GLY A 2 -4.249 -2.951 -11.214 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -3.703 -1.641 -9.441 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -2.949 -0.465 -10.499 1.00 0.00 H new ATOM 29 N LYS A 3 -4.781 1.108 -10.105 1.00 0.00 N ATOM 30 CA LYS A 3 -5.837 2.112 -9.994 1.00 0.00 C ATOM 31 C LYS A 3 -7.023 1.614 -9.140 1.00 0.00 C ATOM 32 O LYS A 3 -8.155 1.535 -9.617 1.00 0.00 O ATOM 33 CB LYS A 3 -6.303 2.498 -11.423 1.00 0.00 C ATOM 34 CG LYS A 3 -5.549 3.739 -11.930 1.00 0.00 C ATOM 35 CD LYS A 3 -4.049 3.439 -12.032 1.00 0.00 C ATOM 36 CE LYS A 3 -3.325 4.631 -12.673 1.00 0.00 C ATOM 37 NZ LYS A 3 -1.866 4.541 -12.387 1.00 0.00 N ATOM 0 H LYS A 3 -3.836 1.490 -10.075 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.439 2.988 -9.483 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -6.135 1.663 -12.103 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.375 2.695 -11.419 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.936 4.036 -12.905 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.715 4.577 -11.253 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.639 3.243 -11.041 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.888 2.540 -12.627 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.495 4.637 -13.750 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.726 5.566 -12.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.377 5.349 -12.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.712 4.556 -11.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.489 3.655 -12.781 1.00 0.00 H new ATOM 51 N PHE A 4 -6.771 1.314 -7.863 1.00 0.00 N ATOM 52 CA PHE A 4 -7.853 0.875 -6.975 1.00 0.00 C ATOM 53 C PHE A 4 -8.610 2.103 -6.473 1.00 0.00 C ATOM 54 O PHE A 4 -9.832 2.083 -6.337 1.00 0.00 O ATOM 55 CB PHE A 4 -7.310 0.058 -5.784 1.00 0.00 C ATOM 56 CG PHE A 4 -6.580 0.952 -4.806 1.00 0.00 C ATOM 57 CD1 PHE A 4 -5.302 1.439 -5.132 1.00 0.00 C ATOM 58 CD2 PHE A 4 -7.173 1.297 -3.568 1.00 0.00 C ATOM 59 CE1 PHE A 4 -4.611 2.268 -4.233 1.00 0.00 C ATOM 60 CE2 PHE A 4 -6.478 2.129 -2.662 1.00 0.00 C ATOM 61 CZ PHE A 4 -5.195 2.614 -2.995 1.00 0.00 C ATOM 0 H PHE A 4 -5.850 1.365 -7.427 1.00 0.00 H new ATOM 0 HA PHE A 4 -8.525 0.226 -7.536 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.133 -0.446 -5.278 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.636 -0.718 -6.147 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.850 1.175 -6.077 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.155 0.925 -3.316 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.631 2.642 -4.489 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.928 2.393 -1.716 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.661 3.249 -2.304 1.00 0.00 H new ATOM 71 N SER A 5 -7.859 3.176 -6.219 1.00 0.00 N ATOM 72 CA SER A 5 -8.441 4.429 -5.747 1.00 0.00 C ATOM 73 C SER A 5 -9.554 4.898 -6.679 1.00 0.00 C ATOM 74 O SER A 5 -10.475 5.597 -6.257 1.00 0.00 O ATOM 75 CB SER A 5 -7.360 5.506 -5.671 1.00 0.00 C ATOM 76 OG SER A 5 -7.876 6.639 -4.983 1.00 0.00 O ATOM 0 H SER A 5 -6.846 3.200 -6.333 1.00 0.00 H new ATOM 0 HA SER A 5 -8.863 4.256 -4.757 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.481 5.120 -5.154 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.041 5.789 -6.674 1.00 0.00 H new ATOM 0 HG SER A 5 -7.185 7.332 -4.930 1.00 0.00 H new ATOM 82 N GLN A 6 -9.460 4.514 -7.948 1.00 0.00 N ATOM 83 CA GLN A 6 -10.464 4.911 -8.930 1.00 0.00 C ATOM 84 C GLN A 6 -11.843 4.392 -8.538 1.00 0.00 C ATOM 85 O GLN A 6 -12.857 5.024 -8.833 1.00 0.00 O ATOM 86 CB GLN A 6 -10.091 4.375 -10.316 1.00 0.00 C ATOM 87 CG GLN A 6 -8.820 5.072 -10.822 1.00 0.00 C ATOM 88 CD GLN A 6 -8.638 4.792 -12.317 1.00 0.00 C ATOM 89 OE1 GLN A 6 -9.232 3.878 -12.853 1.00 0.00 O ATOM 90 NE2 GLN A 6 -7.831 5.544 -13.014 1.00 0.00 N ATOM 0 H GLN A 6 -8.707 3.934 -8.318 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.494 6.000 -8.959 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.931 3.298 -10.268 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -10.911 4.544 -11.014 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -8.889 6.146 -10.649 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -7.952 4.715 -10.267 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -7.332 6.311 -12.564 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -7.699 5.364 -14.009 1.00 0.00 H new ATOM 99 N THR A 7 -11.878 3.236 -7.873 1.00 0.00 N ATOM 100 CA THR A 7 -13.144 2.632 -7.441 1.00 0.00 C ATOM 101 C THR A 7 -13.066 2.228 -5.973 1.00 0.00 C ATOM 102 O THR A 7 -13.720 1.277 -5.544 1.00 0.00 O ATOM 103 CB THR A 7 -13.474 1.386 -8.283 1.00 0.00 C ATOM 104 OG1 THR A 7 -14.602 0.725 -7.729 1.00 0.00 O ATOM 105 CG2 THR A 7 -12.278 0.438 -8.286 1.00 0.00 C ATOM 0 H THR A 7 -11.048 2.699 -7.621 1.00 0.00 H new ATOM 0 HA THR A 7 -13.929 3.376 -7.578 1.00 0.00 H new ATOM 0 HB THR A 7 -13.697 1.689 -9.306 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.402 0.453 -6.809 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.514 -0.443 -8.883 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.413 0.945 -8.714 1.00 0.00 H new ATOM 0 HG23 THR A 7 -12.052 0.134 -7.264 1.00 0.00 H new ATOM 113 N CYS A 8 -12.272 2.974 -5.201 1.00 0.00 N ATOM 114 CA CYS A 8 -12.117 2.711 -3.765 1.00 0.00 C ATOM 115 C CYS A 8 -12.173 4.015 -2.982 1.00 0.00 C ATOM 116 O CYS A 8 -11.724 5.058 -3.456 1.00 0.00 O ATOM 117 CB CYS A 8 -10.797 1.984 -3.485 1.00 0.00 C ATOM 118 SG CYS A 8 -10.931 0.268 -4.035 1.00 0.00 S ATOM 0 H CYS A 8 -11.726 3.764 -5.544 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.938 2.070 -3.444 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.978 2.481 -4.004 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.568 2.020 -2.420 1.00 0.00 H new ATOM 123 N TYR A 9 -12.742 3.948 -1.777 1.00 0.00 N ATOM 124 CA TYR A 9 -12.874 5.128 -0.921 1.00 0.00 C ATOM 125 C TYR A 9 -12.701 4.747 0.547 1.00 0.00 C ATOM 126 O TYR A 9 -12.781 3.572 0.904 1.00 0.00 O ATOM 127 CB TYR A 9 -14.248 5.771 -1.134 1.00 0.00 C ATOM 128 CG TYR A 9 -15.342 4.794 -0.761 1.00 0.00 C ATOM 129 CD1 TYR A 9 -15.833 4.761 0.560 1.00 0.00 C ATOM 130 CD2 TYR A 9 -15.877 3.921 -1.733 1.00 0.00 C ATOM 131 CE1 TYR A 9 -16.858 3.856 0.913 1.00 0.00 C ATOM 132 CE2 TYR A 9 -16.902 3.015 -1.381 1.00 0.00 C ATOM 133 CZ TYR A 9 -17.393 2.983 -0.058 1.00 0.00 C ATOM 134 OH TYR A 9 -18.451 2.158 0.266 1.00 0.00 O ATOM 0 H TYR A 9 -13.118 3.091 -1.372 1.00 0.00 H new ATOM 0 HA TYR A 9 -12.095 5.842 -1.188 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -14.334 6.674 -0.529 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.359 6.074 -2.175 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -15.424 5.429 1.304 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -15.503 3.946 -2.746 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -17.232 3.832 1.926 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -17.310 2.346 -2.125 1.00 0.00 H new ATOM 0 HH TYR A 9 -18.812 1.753 -0.550 1.00 0.00 H new ATOM 144 N ASN A 10 -12.435 5.751 1.383 1.00 0.00 N ATOM 145 CA ASN A 10 -12.223 5.526 2.811 1.00 0.00 C ATOM 146 C ASN A 10 -11.034 4.599 3.023 1.00 0.00 C ATOM 147 O ASN A 10 -11.098 3.651 3.807 1.00 0.00 O ATOM 148 CB ASN A 10 -13.480 4.937 3.465 1.00 0.00 C ATOM 149 CG ASN A 10 -13.235 4.729 4.959 1.00 0.00 C ATOM 150 OD1 ASN A 10 -12.170 5.025 5.461 1.00 0.00 O ATOM 151 ND2 ASN A 10 -14.188 4.229 5.698 1.00 0.00 N ATOM 0 H ASN A 10 -12.361 6.727 1.095 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.013 6.486 3.283 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -14.327 5.607 3.315 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -13.736 3.988 2.993 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -14.038 4.087 6.697 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -15.083 3.980 5.277 1.00 0.00 H new ATOM 158 N SER A 11 -9.943 4.888 2.313 1.00 0.00 N ATOM 159 CA SER A 11 -8.728 4.087 2.417 1.00 0.00 C ATOM 160 C SER A 11 -7.947 4.466 3.669 1.00 0.00 C ATOM 161 O SER A 11 -8.005 5.605 4.132 1.00 0.00 O ATOM 162 CB SER A 11 -7.860 4.287 1.163 1.00 0.00 C ATOM 163 OG SER A 11 -7.921 5.649 0.765 1.00 0.00 O ATOM 0 H SER A 11 -9.878 5.670 1.661 1.00 0.00 H new ATOM 0 HA SER A 11 -9.005 3.035 2.490 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.829 4.002 1.371 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.212 3.644 0.356 1.00 0.00 H new ATOM 0 HG SER A 11 -7.503 5.752 -0.115 1.00 0.00 H new ATOM 169 N ALA A 12 -7.221 3.495 4.213 1.00 0.00 N ATOM 170 CA ALA A 12 -6.427 3.717 5.416 1.00 0.00 C ATOM 171 C ALA A 12 -5.257 2.748 5.457 1.00 0.00 C ATOM 172 O ALA A 12 -5.336 1.638 4.932 1.00 0.00 O ATOM 173 CB ALA A 12 -7.295 3.527 6.650 1.00 0.00 C ATOM 0 H ALA A 12 -7.166 2.547 3.840 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.042 4.737 5.401 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.696 3.694 7.545 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.120 4.239 6.627 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.692 2.512 6.663 1.00 0.00 H new ATOM 179 N ILE A 13 -4.168 3.179 6.086 1.00 0.00 N ATOM 180 CA ILE A 13 -2.965 2.353 6.205 1.00 0.00 C ATOM 181 C ILE A 13 -2.386 2.501 7.606 1.00 0.00 C ATOM 182 O ILE A 13 -2.332 3.604 8.148 1.00 0.00 O ATOM 183 CB ILE A 13 -1.903 2.765 5.143 1.00 0.00 C ATOM 184 CG1 ILE A 13 -2.353 2.249 3.746 1.00 0.00 C ATOM 185 CG2 ILE A 13 -0.519 2.160 5.504 1.00 0.00 C ATOM 186 CD1 ILE A 13 -1.750 3.089 2.585 1.00 0.00 C ATOM 0 H ILE A 13 -4.091 4.097 6.523 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.235 1.312 6.029 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.815 3.851 5.125 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.053 1.207 3.632 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.441 2.276 3.684 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.214 2.456 4.754 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.206 2.526 6.482 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.593 1.073 5.530 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.093 2.690 1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.071 4.126 2.681 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.662 3.041 2.628 1.00 0.00 H new ATOM 198 N GLN A 14 -1.949 1.385 8.192 1.00 0.00 N ATOM 199 CA GLN A 14 -1.380 1.424 9.535 1.00 0.00 C ATOM 200 C GLN A 14 -0.450 0.239 9.783 1.00 0.00 C ATOM 201 O GLN A 14 -0.881 -0.867 10.110 1.00 0.00 O ATOM 202 CB GLN A 14 -2.509 1.450 10.578 1.00 0.00 C ATOM 203 CG GLN A 14 -1.976 1.940 11.931 1.00 0.00 C ATOM 204 CD GLN A 14 -1.519 3.398 11.814 1.00 0.00 C ATOM 205 OE1 GLN A 14 -2.329 4.300 11.732 1.00 0.00 O ATOM 206 NE2 GLN A 14 -0.242 3.663 11.787 1.00 0.00 N ATOM 0 H GLN A 14 -1.978 0.459 7.765 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.785 2.332 9.627 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.312 2.104 10.238 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.935 0.453 10.687 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.753 1.853 12.691 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.144 1.314 12.252 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.438 2.906 11.856 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.077 4.628 11.697 1.00 0.00 H new ATOM 215 N GLY A 15 0.835 0.510 9.599 1.00 0.00 N ATOM 216 CA GLY A 15 1.883 -0.486 9.774 1.00 0.00 C ATOM 217 C GLY A 15 2.294 -1.103 8.453 1.00 0.00 C ATOM 218 O GLY A 15 3.318 -0.738 7.886 1.00 0.00 O ATOM 0 H GLY A 15 1.181 1.429 9.323 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.750 -0.023 10.245 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.533 -1.268 10.448 1.00 0.00 H new ATOM 222 N SER A 16 1.493 -2.041 7.956 1.00 0.00 N ATOM 223 CA SER A 16 1.796 -2.702 6.687 1.00 0.00 C ATOM 224 C SER A 16 0.538 -3.314 6.099 1.00 0.00 C ATOM 225 O SER A 16 0.584 -4.334 5.417 1.00 0.00 O ATOM 226 CB SER A 16 2.834 -3.790 6.909 1.00 0.00 C ATOM 227 OG SER A 16 2.226 -4.898 7.558 1.00 0.00 O ATOM 0 H SER A 16 0.635 -2.360 8.407 1.00 0.00 H new ATOM 0 HA SER A 16 2.189 -1.961 5.991 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.259 -4.102 5.955 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.655 -3.406 7.514 1.00 0.00 H new ATOM 0 HG SER A 16 1.806 -5.479 6.889 1.00 0.00 H new ATOM 233 N VAL A 17 -0.584 -2.671 6.380 1.00 0.00 N ATOM 234 CA VAL A 17 -1.880 -3.137 5.892 1.00 0.00 C ATOM 235 C VAL A 17 -2.677 -1.989 5.299 1.00 0.00 C ATOM 236 O VAL A 17 -2.934 -0.989 5.960 1.00 0.00 O ATOM 237 CB VAL A 17 -2.695 -3.788 7.031 1.00 0.00 C ATOM 238 CG1 VAL A 17 -3.023 -2.752 8.118 1.00 0.00 C ATOM 239 CG2 VAL A 17 -3.991 -4.374 6.459 1.00 0.00 C ATOM 0 H VAL A 17 -0.627 -1.823 6.945 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.692 -3.880 5.118 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.102 -4.584 7.481 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.598 -3.228 8.913 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.097 -2.351 8.530 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.608 -1.941 7.683 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.568 -4.834 7.262 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.578 -3.579 6.000 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.750 -5.127 5.708 1.00 0.00 H new ATOM 249 N LEU A 18 -3.105 -2.167 4.054 1.00 0.00 N ATOM 250 CA LEU A 18 -3.928 -1.178 3.367 1.00 0.00 C ATOM 251 C LEU A 18 -5.358 -1.654 3.516 1.00 0.00 C ATOM 252 O LEU A 18 -5.634 -2.815 3.254 1.00 0.00 O ATOM 253 CB LEU A 18 -3.518 -1.116 1.875 1.00 0.00 C ATOM 254 CG LEU A 18 -3.860 0.246 1.234 1.00 0.00 C ATOM 255 CD1 LEU A 18 -3.685 0.138 -0.286 1.00 0.00 C ATOM 256 CD2 LEU A 18 -5.308 0.650 1.553 1.00 0.00 C ATOM 0 H LEU A 18 -2.893 -2.994 3.496 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.807 -0.177 3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.447 -1.299 1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.024 -1.911 1.327 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.192 1.006 1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.924 1.095 -0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.653 -0.128 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.353 -0.630 -0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.527 1.613 1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.991 -0.104 1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.434 0.728 2.633 1.00 0.00 H new ATOM 268 N THR A 19 -6.273 -0.780 3.916 1.00 0.00 N ATOM 269 CA THR A 19 -7.675 -1.157 4.074 1.00 0.00 C ATOM 270 C THR A 19 -8.516 -0.075 3.434 1.00 0.00 C ATOM 271 O THR A 19 -8.308 1.109 3.698 1.00 0.00 O ATOM 272 CB THR A 19 -8.058 -1.266 5.565 1.00 0.00 C ATOM 273 OG1 THR A 19 -7.224 -2.225 6.200 1.00 0.00 O ATOM 274 CG2 THR A 19 -9.520 -1.697 5.691 1.00 0.00 C ATOM 0 H THR A 19 -6.071 0.195 4.137 1.00 0.00 H new ATOM 0 HA THR A 19 -7.842 -2.127 3.607 1.00 0.00 H new ATOM 0 HB THR A 19 -7.926 -0.296 6.043 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.466 -2.293 7.147 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.787 -1.773 6.745 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.160 -0.959 5.207 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.656 -2.666 5.211 1.00 0.00 H new ATOM 282 N SER A 20 -9.448 -0.462 2.574 1.00 0.00 N ATOM 283 CA SER A 20 -10.275 0.528 1.899 1.00 0.00 C ATOM 284 C SER A 20 -11.585 -0.063 1.421 1.00 0.00 C ATOM 285 O SER A 20 -11.618 -1.128 0.805 1.00 0.00 O ATOM 286 CB SER A 20 -9.511 1.094 0.696 1.00 0.00 C ATOM 287 OG SER A 20 -10.159 2.274 0.240 1.00 0.00 O ATOM 0 H SER A 20 -9.648 -1.432 2.331 1.00 0.00 H new ATOM 0 HA SER A 20 -10.502 1.317 2.616 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.481 1.316 0.976 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.471 0.355 -0.104 1.00 0.00 H new ATOM 0 HG SER A 20 -10.999 2.396 0.729 1.00 0.00 H new ATOM 293 N THR A 21 -12.661 0.667 1.682 1.00 0.00 N ATOM 294 CA THR A 21 -13.977 0.251 1.246 1.00 0.00 C ATOM 295 C THR A 21 -14.068 0.475 -0.250 1.00 0.00 C ATOM 296 O THR A 21 -13.828 1.582 -0.730 1.00 0.00 O ATOM 297 CB THR A 21 -15.074 1.055 1.959 1.00 0.00 C ATOM 298 OG1 THR A 21 -14.843 1.012 3.361 1.00 0.00 O ATOM 299 CG2 THR A 21 -16.440 0.446 1.645 1.00 0.00 C ATOM 0 H THR A 21 -12.643 1.549 2.194 1.00 0.00 H new ATOM 0 HA THR A 21 -14.125 -0.801 1.489 1.00 0.00 H new ATOM 0 HB THR A 21 -15.056 2.089 1.615 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.539 1.525 3.823 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.218 1.017 2.151 1.00 0.00 H new ATOM 0 HG22 THR A 21 -16.612 0.473 0.569 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.466 -0.588 1.990 1.00 0.00 H new ATOM 307 N CYS A 22 -14.399 -0.579 -0.989 1.00 0.00 N ATOM 308 CA CYS A 22 -14.494 -0.494 -2.446 1.00 0.00 C ATOM 309 C CYS A 22 -15.827 -1.038 -2.931 1.00 0.00 C ATOM 310 O CYS A 22 -16.429 -1.903 -2.298 1.00 0.00 O ATOM 311 CB CYS A 22 -13.344 -1.284 -3.073 1.00 0.00 C ATOM 312 SG CYS A 22 -11.761 -0.667 -2.453 1.00 0.00 S ATOM 0 H CYS A 22 -14.606 -1.501 -0.606 1.00 0.00 H new ATOM 0 HA CYS A 22 -14.426 0.552 -2.745 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -13.448 -2.343 -2.838 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.379 -1.194 -4.159 1.00 0.00 H new ATOM 317 N GLU A 23 -16.283 -0.501 -4.053 1.00 0.00 N ATOM 318 CA GLU A 23 -17.554 -0.907 -4.632 1.00 0.00 C ATOM 319 C GLU A 23 -17.449 -2.299 -5.247 1.00 0.00 C ATOM 320 O GLU A 23 -16.639 -2.530 -6.144 1.00 0.00 O ATOM 321 CB GLU A 23 -17.971 0.101 -5.710 1.00 0.00 C ATOM 322 CG GLU A 23 -17.996 1.519 -5.118 1.00 0.00 C ATOM 323 CD GLU A 23 -18.065 2.551 -6.247 1.00 0.00 C ATOM 324 OE1 GLU A 23 -17.040 2.794 -6.862 1.00 0.00 O ATOM 325 OE2 GLU A 23 -19.139 3.084 -6.473 1.00 0.00 O ATOM 0 H GLU A 23 -15.790 0.219 -4.581 1.00 0.00 H new ATOM 0 HA GLU A 23 -18.303 -0.934 -3.841 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -17.275 0.059 -6.548 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -18.955 -0.157 -6.100 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -18.855 1.632 -4.457 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -17.104 1.687 -4.514 1.00 0.00 H new ATOM 332 N ARG A 24 -18.281 -3.221 -4.767 1.00 0.00 N ATOM 333 CA ARG A 24 -18.270 -4.581 -5.295 1.00 0.00 C ATOM 334 C ARG A 24 -18.750 -4.588 -6.734 1.00 0.00 C ATOM 335 O ARG A 24 -19.421 -3.659 -7.181 1.00 0.00 O ATOM 336 CB ARG A 24 -19.172 -5.513 -4.473 1.00 0.00 C ATOM 337 CG ARG A 24 -18.676 -5.612 -3.015 1.00 0.00 C ATOM 338 CD ARG A 24 -19.202 -6.906 -2.342 1.00 0.00 C ATOM 339 NE ARG A 24 -18.109 -7.922 -2.327 1.00 0.00 N ATOM 340 CZ ARG A 24 -18.293 -9.075 -1.744 1.00 0.00 C ATOM 341 NH1 ARG A 24 -19.451 -9.363 -1.216 1.00 0.00 N ATOM 342 NH2 ARG A 24 -17.318 -9.941 -1.690 1.00 0.00 N ATOM 0 H ARG A 24 -18.961 -3.054 -4.025 1.00 0.00 H new ATOM 0 HA ARG A 24 -17.243 -4.942 -5.237 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -20.197 -5.141 -4.489 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -19.186 -6.505 -4.925 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -17.586 -5.603 -2.995 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -19.012 -4.741 -2.452 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -19.534 -6.694 -1.326 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -20.066 -7.289 -2.886 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.216 -7.715 -2.774 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -20.213 -8.687 -1.259 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -19.594 -10.264 -0.761 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.413 -9.716 -2.103 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -17.461 -10.842 -1.234 1.00 0.00 H new ATOM 356 N THR A 25 -18.410 -5.653 -7.455 1.00 0.00 N ATOM 357 CA THR A 25 -18.818 -5.797 -8.850 1.00 0.00 C ATOM 358 C THR A 25 -20.102 -6.614 -8.926 1.00 0.00 C ATOM 359 O THR A 25 -20.903 -6.452 -9.845 1.00 0.00 O ATOM 360 CB THR A 25 -17.724 -6.512 -9.663 1.00 0.00 C ATOM 361 OG1 THR A 25 -16.501 -5.803 -9.528 1.00 0.00 O ATOM 362 CG2 THR A 25 -18.128 -6.557 -11.136 1.00 0.00 C ATOM 0 H THR A 25 -17.853 -6.429 -7.097 1.00 0.00 H new ATOM 0 HA THR A 25 -18.981 -4.803 -9.266 1.00 0.00 H new ATOM 0 HB THR A 25 -17.600 -7.529 -9.292 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.801 -6.256 -10.043 1.00 0.00 H new ATOM 0 HG21 THR A 25 -17.353 -7.063 -11.711 1.00 0.00 H new ATOM 0 HG22 THR A 25 -19.068 -7.099 -11.239 1.00 0.00 H new ATOM 0 HG23 THR A 25 -18.252 -5.541 -11.511 1.00 0.00 H new ATOM 370 N ASN A 26 -20.291 -7.491 -7.938 1.00 0.00 N ATOM 371 CA ASN A 26 -21.482 -8.342 -7.867 1.00 0.00 C ATOM 372 C ASN A 26 -22.419 -7.834 -6.771 1.00 0.00 C ATOM 373 O ASN A 26 -23.572 -7.495 -7.032 1.00 0.00 O ATOM 374 CB ASN A 26 -21.057 -9.785 -7.563 1.00 0.00 C ATOM 375 CG ASN A 26 -22.230 -10.739 -7.798 1.00 0.00 C ATOM 376 OD1 ASN A 26 -22.963 -10.598 -8.757 1.00 0.00 O ATOM 377 ND2 ASN A 26 -22.436 -11.715 -6.957 1.00 0.00 N ATOM 0 H ASN A 26 -19.632 -7.631 -7.173 1.00 0.00 H new ATOM 0 HA ASN A 26 -22.007 -8.312 -8.822 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -20.217 -10.066 -8.198 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -20.717 -9.862 -6.530 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -23.212 -12.360 -7.104 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -21.821 -11.833 -6.152 1.00 0.00 H new ATOM 384 N GLY A 27 -21.917 -7.809 -5.540 1.00 0.00 N ATOM 385 CA GLY A 27 -22.713 -7.362 -4.403 1.00 0.00 C ATOM 386 C GLY A 27 -22.782 -5.846 -4.282 1.00 0.00 C ATOM 387 O GLY A 27 -22.973 -5.136 -5.268 1.00 0.00 O ATOM 0 H GLY A 27 -20.966 -8.092 -5.305 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -23.724 -7.760 -4.496 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.291 -7.775 -3.487 1.00 0.00 H new ATOM 391 N GLY A 28 -22.647 -5.367 -3.043 1.00 0.00 N ATOM 392 CA GLY A 28 -22.706 -3.933 -2.741 1.00 0.00 C ATOM 393 C GLY A 28 -21.339 -3.363 -2.422 1.00 0.00 C ATOM 394 O GLY A 28 -20.535 -3.121 -3.319 1.00 0.00 O ATOM 0 H GLY A 28 -22.495 -5.957 -2.225 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -23.131 -3.401 -3.592 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -23.374 -3.768 -1.896 1.00 0.00 H new ATOM 398 N TYR A 29 -21.080 -3.121 -1.134 1.00 0.00 N ATOM 399 CA TYR A 29 -19.798 -2.562 -0.691 1.00 0.00 C ATOM 400 C TYR A 29 -18.999 -3.617 0.071 1.00 0.00 C ATOM 401 O TYR A 29 -19.561 -4.396 0.842 1.00 0.00 O ATOM 402 CB TYR A 29 -20.051 -1.365 0.227 1.00 0.00 C ATOM 403 CG TYR A 29 -20.900 -0.341 -0.495 1.00 0.00 C ATOM 404 CD1 TYR A 29 -20.348 0.396 -1.565 1.00 0.00 C ATOM 405 CD2 TYR A 29 -22.240 -0.115 -0.102 1.00 0.00 C ATOM 406 CE1 TYR A 29 -21.131 1.356 -2.241 1.00 0.00 C ATOM 407 CE2 TYR A 29 -23.021 0.846 -0.779 1.00 0.00 C ATOM 408 CZ TYR A 29 -22.467 1.582 -1.849 1.00 0.00 C ATOM 409 OH TYR A 29 -23.187 2.609 -2.424 1.00 0.00 O ATOM 0 H TYR A 29 -21.741 -3.303 -0.379 1.00 0.00 H new ATOM 0 HA TYR A 29 -19.231 -2.244 -1.566 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -20.554 -1.692 1.137 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -19.103 -0.919 0.529 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -19.325 0.225 -1.867 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -22.665 -0.678 0.716 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -20.707 1.918 -3.060 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -24.044 1.019 -0.478 1.00 0.00 H new ATOM 0 HH TYR A 29 -24.090 2.628 -2.044 1.00 0.00 H new ATOM 419 N ASN A 30 -17.683 -3.633 -0.145 1.00 0.00 N ATOM 420 CA ASN A 30 -16.797 -4.593 0.526 1.00 0.00 C ATOM 421 C ASN A 30 -15.543 -3.888 1.025 1.00 0.00 C ATOM 422 O ASN A 30 -14.896 -3.153 0.279 1.00 0.00 O ATOM 423 CB ASN A 30 -16.400 -5.705 -0.449 1.00 0.00 C ATOM 424 CG ASN A 30 -15.365 -6.628 0.194 1.00 0.00 C ATOM 425 OD1 ASN A 30 -15.709 -7.630 0.790 1.00 0.00 O ATOM 426 ND2 ASN A 30 -14.102 -6.328 0.094 1.00 0.00 N ATOM 0 H ASN A 30 -17.204 -2.993 -0.779 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.328 -5.025 1.374 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.281 -6.279 -0.735 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -15.993 -5.270 -1.362 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.399 -6.934 0.516 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.816 -5.487 -0.407 1.00 0.00 H new ATOM 433 N THR A 31 -15.203 -4.124 2.294 1.00 0.00 N ATOM 434 CA THR A 31 -14.017 -3.516 2.904 1.00 0.00 C ATOM 435 C THR A 31 -13.009 -4.581 3.295 1.00 0.00 C ATOM 436 O THR A 31 -13.060 -5.134 4.393 1.00 0.00 O ATOM 437 CB THR A 31 -14.394 -2.709 4.161 1.00 0.00 C ATOM 438 OG1 THR A 31 -15.429 -1.790 3.838 1.00 0.00 O ATOM 439 CG2 THR A 31 -13.169 -1.943 4.664 1.00 0.00 C ATOM 0 H THR A 31 -15.732 -4.732 2.920 1.00 0.00 H new ATOM 0 HA THR A 31 -13.578 -2.848 2.163 1.00 0.00 H new ATOM 0 HB THR A 31 -14.740 -3.389 4.940 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.051 -0.891 3.745 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.437 -1.372 5.553 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.375 -2.648 4.911 1.00 0.00 H new ATOM 0 HG23 THR A 31 -12.821 -1.262 3.887 1.00 0.00 H new ATOM 447 N SER A 32 -12.078 -4.850 2.384 1.00 0.00 N ATOM 448 CA SER A 32 -11.026 -5.835 2.621 1.00 0.00 C ATOM 449 C SER A 32 -9.724 -5.115 2.912 1.00 0.00 C ATOM 450 O SER A 32 -9.690 -3.889 3.022 1.00 0.00 O ATOM 451 CB SER A 32 -10.845 -6.722 1.388 1.00 0.00 C ATOM 452 OG SER A 32 -11.963 -7.588 1.265 1.00 0.00 O ATOM 0 H SER A 32 -12.031 -4.398 1.471 1.00 0.00 H new ATOM 0 HA SER A 32 -11.307 -6.458 3.470 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.747 -6.106 0.494 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.928 -7.304 1.476 1.00 0.00 H new ATOM 0 HG SER A 32 -12.535 -7.498 2.056 1.00 0.00 H new ATOM 458 N SER A 33 -8.648 -5.880 3.025 1.00 0.00 N ATOM 459 CA SER A 33 -7.339 -5.304 3.292 1.00 0.00 C ATOM 460 C SER A 33 -6.254 -6.145 2.631 1.00 0.00 C ATOM 461 O SER A 33 -6.436 -7.338 2.396 1.00 0.00 O ATOM 462 CB SER A 33 -7.107 -5.219 4.807 1.00 0.00 C ATOM 463 OG SER A 33 -7.601 -6.401 5.424 1.00 0.00 O ATOM 0 H SER A 33 -8.655 -6.896 2.936 1.00 0.00 H new ATOM 0 HA SER A 33 -7.298 -4.298 2.875 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.044 -5.102 5.018 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.612 -4.343 5.215 1.00 0.00 H new ATOM 0 HG SER A 33 -7.453 -6.351 6.392 1.00 0.00 H new ATOM 469 N ILE A 34 -5.125 -5.509 2.323 1.00 0.00 N ATOM 470 CA ILE A 34 -4.006 -6.197 1.675 1.00 0.00 C ATOM 471 C ILE A 34 -2.693 -5.778 2.329 1.00 0.00 C ATOM 472 O ILE A 34 -2.472 -4.602 2.622 1.00 0.00 O ATOM 473 CB ILE A 34 -3.980 -5.868 0.158 1.00 0.00 C ATOM 474 CG1 ILE A 34 -2.783 -6.541 -0.544 1.00 0.00 C ATOM 475 CG2 ILE A 34 -3.897 -4.356 -0.049 1.00 0.00 C ATOM 476 CD1 ILE A 34 -2.932 -8.071 -0.518 1.00 0.00 C ATOM 0 H ILE A 34 -4.959 -4.520 2.511 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.134 -7.273 1.794 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.901 -6.254 -0.279 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.717 -6.194 -1.575 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.855 -6.252 -0.050 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.879 -4.135 -1.116 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.765 -3.878 0.406 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.988 -3.975 0.416 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.078 -8.528 -1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.974 -8.415 0.515 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.849 -8.356 -1.033 1.00 0.00 H new ATOM 488 N ASP A 35 -1.826 -6.758 2.565 1.00 0.00 N ATOM 489 CA ASP A 35 -0.534 -6.496 3.188 1.00 0.00 C ATOM 490 C ASP A 35 0.466 -6.047 2.130 1.00 0.00 C ATOM 491 O ASP A 35 0.804 -6.804 1.219 1.00 0.00 O ATOM 492 CB ASP A 35 -0.027 -7.765 3.886 1.00 0.00 C ATOM 493 CG ASP A 35 1.122 -7.417 4.838 1.00 0.00 C ATOM 494 OD1 ASP A 35 1.670 -6.336 4.705 1.00 0.00 O ATOM 495 OD2 ASP A 35 1.436 -8.240 5.682 1.00 0.00 O ATOM 0 H ASP A 35 -1.994 -7.737 2.335 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.646 -5.705 3.929 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.840 -8.234 4.440 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.311 -8.488 3.143 1.00 0.00 H new ATOM 500 N LEU A 36 0.945 -4.819 2.262 1.00 0.00 N ATOM 501 CA LEU A 36 1.915 -4.285 1.318 1.00 0.00 C ATOM 502 C LEU A 36 3.273 -4.912 1.577 1.00 0.00 C ATOM 503 O LEU A 36 4.216 -4.716 0.815 1.00 0.00 O ATOM 504 CB LEU A 36 2.028 -2.765 1.500 1.00 0.00 C ATOM 505 CG LEU A 36 0.671 -2.074 1.231 1.00 0.00 C ATOM 506 CD1 LEU A 36 0.627 -0.721 1.953 1.00 0.00 C ATOM 507 CD2 LEU A 36 0.487 -1.835 -0.275 1.00 0.00 C ATOM 0 H LEU A 36 0.680 -4.177 3.009 1.00 0.00 H new ATOM 0 HA LEU A 36 1.589 -4.512 0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.361 -2.540 2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.783 -2.369 0.821 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.126 -2.720 1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.331 -0.237 1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.746 -0.877 3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.434 -0.087 1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.472 -1.348 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.291 -1.198 -0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.511 -2.790 -0.801 1.00 0.00 H new ATOM 519 N ASN A 37 3.361 -5.667 2.665 1.00 0.00 N ATOM 520 CA ASN A 37 4.609 -6.313 3.037 1.00 0.00 C ATOM 521 C ASN A 37 4.964 -7.443 2.089 1.00 0.00 C ATOM 522 O ASN A 37 6.124 -7.833 2.006 1.00 0.00 O ATOM 523 CB ASN A 37 4.528 -6.858 4.464 1.00 0.00 C ATOM 524 CG ASN A 37 5.851 -7.543 4.825 1.00 0.00 C ATOM 525 OD1 ASN A 37 6.939 -6.830 4.919 1.00 0.00 O flip ATOM 526 ND2 ASN A 37 5.892 -8.742 5.013 1.00 0.00 N flip ATOM 0 H ASN A 37 2.585 -5.845 3.302 1.00 0.00 H new ATOM 0 HA ASN A 37 5.390 -5.555 2.977 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.323 -6.047 5.163 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.704 -7.567 4.548 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.041 -9.299 4.939 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.778 -9.192 5.245 1.00 0.00 H new ATOM 533 N SER A 38 3.979 -8.001 1.393 1.00 0.00 N ATOM 534 CA SER A 38 4.242 -9.111 0.485 1.00 0.00 C ATOM 535 C SER A 38 4.610 -8.620 -0.914 1.00 0.00 C ATOM 536 O SER A 38 4.795 -9.427 -1.823 1.00 0.00 O ATOM 537 CB SER A 38 2.988 -9.991 0.411 1.00 0.00 C ATOM 538 OG SER A 38 3.348 -11.286 -0.046 1.00 0.00 O ATOM 0 H SER A 38 3.003 -7.707 1.439 1.00 0.00 H new ATOM 0 HA SER A 38 5.089 -9.681 0.867 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.518 -10.057 1.392 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.257 -9.545 -0.263 1.00 0.00 H new ATOM 0 HG SER A 38 3.961 -11.206 -0.807 1.00 0.00 H new ATOM 544 N VAL A 39 4.698 -7.298 -1.102 1.00 0.00 N ATOM 545 CA VAL A 39 5.024 -6.752 -2.427 1.00 0.00 C ATOM 546 C VAL A 39 5.857 -5.468 -2.336 1.00 0.00 C ATOM 547 O VAL A 39 6.019 -4.765 -3.332 1.00 0.00 O ATOM 548 CB VAL A 39 3.728 -6.463 -3.219 1.00 0.00 C ATOM 549 CG1 VAL A 39 3.083 -7.786 -3.645 1.00 0.00 C ATOM 550 CG2 VAL A 39 2.743 -5.698 -2.334 1.00 0.00 C ATOM 0 H VAL A 39 4.552 -6.600 -0.373 1.00 0.00 H new ATOM 0 HA VAL A 39 5.620 -7.504 -2.944 1.00 0.00 H new ATOM 0 HB VAL A 39 3.973 -5.868 -4.099 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.169 -7.582 -4.203 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.777 -8.343 -4.275 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.844 -8.376 -2.760 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.831 -5.496 -2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.503 -6.296 -1.455 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.192 -4.756 -2.020 1.00 0.00 H new ATOM 560 N ILE A 40 6.401 -5.171 -1.152 1.00 0.00 N ATOM 561 CA ILE A 40 7.237 -3.970 -0.967 1.00 0.00 C ATOM 562 C ILE A 40 8.485 -4.318 -0.140 1.00 0.00 C ATOM 563 O ILE A 40 8.398 -5.047 0.843 1.00 0.00 O ATOM 564 CB ILE A 40 6.443 -2.840 -0.254 1.00 0.00 C ATOM 565 CG1 ILE A 40 5.293 -2.323 -1.159 1.00 0.00 C ATOM 566 CG2 ILE A 40 7.375 -1.684 0.124 1.00 0.00 C ATOM 567 CD1 ILE A 40 5.786 -1.312 -2.208 1.00 0.00 C ATOM 0 H ILE A 40 6.282 -5.737 -0.312 1.00 0.00 H new ATOM 0 HA ILE A 40 7.538 -3.615 -1.953 1.00 0.00 H new ATOM 0 HB ILE A 40 6.010 -3.253 0.657 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.823 -3.167 -1.664 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.528 -1.856 -0.539 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.802 -0.902 0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 40 8.152 -2.048 0.796 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.835 -1.278 -0.777 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.945 -0.980 -2.817 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.231 -0.454 -1.705 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.532 -1.785 -2.847 1.00 0.00 H new ATOM 579 N ALA A 41 9.647 -3.786 -0.558 1.00 0.00 N ATOM 580 CA ALA A 41 10.931 -4.038 0.134 1.00 0.00 C ATOM 581 C ALA A 41 11.618 -2.720 0.521 1.00 0.00 C ATOM 582 O ALA A 41 11.482 -1.714 -0.173 1.00 0.00 O ATOM 583 CB ALA A 41 11.855 -4.837 -0.786 1.00 0.00 C ATOM 0 H ALA A 41 9.727 -3.177 -1.373 1.00 0.00 H new ATOM 0 HA ALA A 41 10.726 -4.602 1.044 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.801 -5.024 -0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.385 -5.787 -1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 41 12.039 -4.270 -1.699 1.00 0.00 H new ATOM 589 N ALA A 42 12.357 -2.739 1.641 1.00 0.00 N ATOM 590 CA ALA A 42 13.077 -1.546 2.123 1.00 0.00 C ATOM 591 C ALA A 42 14.576 -1.675 1.861 1.00 0.00 C ATOM 592 O ALA A 42 15.242 -2.529 2.446 1.00 0.00 O ATOM 593 CB ALA A 42 12.867 -1.363 3.622 1.00 0.00 C ATOM 0 H ALA A 42 12.473 -3.564 2.230 1.00 0.00 H new ATOM 0 HA ALA A 42 12.681 -0.685 1.584 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.406 -0.478 3.959 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.804 -1.241 3.828 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.241 -2.239 4.151 1.00 0.00 H new ATOM 599 N VAL A 43 15.102 -0.821 0.981 1.00 0.00 N ATOM 600 CA VAL A 43 16.533 -0.838 0.648 1.00 0.00 C ATOM 601 C VAL A 43 17.127 0.562 0.766 1.00 0.00 C ATOM 602 O VAL A 43 16.849 1.433 -0.058 1.00 0.00 O ATOM 603 CB VAL A 43 16.755 -1.336 -0.791 1.00 0.00 C ATOM 604 CG1 VAL A 43 18.255 -1.403 -1.084 1.00 0.00 C ATOM 605 CG2 VAL A 43 16.143 -2.730 -0.943 1.00 0.00 C ATOM 0 H VAL A 43 14.563 -0.110 0.486 1.00 0.00 H new ATOM 0 HA VAL A 43 17.023 -1.512 1.350 1.00 0.00 H new ATOM 0 HB VAL A 43 16.280 -0.649 -1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 43 18.411 -1.756 -2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 43 18.692 -0.411 -0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 43 18.732 -2.090 -0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.298 -3.086 -1.961 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.620 -3.415 -0.242 1.00 0.00 H new ATOM 0 HG23 VAL A 43 15.074 -2.683 -0.734 1.00 0.00 H new ATOM 615 N ASP A 44 17.933 0.772 1.806 1.00 0.00 N ATOM 616 CA ASP A 44 18.565 2.068 2.044 1.00 0.00 C ATOM 617 C ASP A 44 17.513 3.156 2.247 1.00 0.00 C ATOM 618 O ASP A 44 17.768 4.331 1.988 1.00 0.00 O ATOM 619 CB ASP A 44 19.510 2.443 0.879 1.00 0.00 C ATOM 620 CG ASP A 44 20.856 1.730 1.046 1.00 0.00 C ATOM 621 OD1 ASP A 44 20.908 0.538 0.794 1.00 0.00 O ATOM 622 OD2 ASP A 44 21.809 2.391 1.427 1.00 0.00 O ATOM 0 H ASP A 44 18.164 0.059 2.498 1.00 0.00 H new ATOM 0 HA ASP A 44 19.158 1.989 2.955 1.00 0.00 H new ATOM 0 HB2 ASP A 44 19.057 2.164 -0.072 1.00 0.00 H new ATOM 0 HB3 ASP A 44 19.661 3.522 0.855 1.00 0.00 H new ATOM 627 N GLY A 45 16.329 2.767 2.713 1.00 0.00 N ATOM 628 CA GLY A 45 15.265 3.727 2.945 1.00 0.00 C ATOM 629 C GLY A 45 14.503 4.031 1.676 1.00 0.00 C ATOM 630 O GLY A 45 14.112 5.171 1.433 1.00 0.00 O ATOM 0 H GLY A 45 16.088 1.801 2.934 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.579 3.336 3.697 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.687 4.648 3.346 1.00 0.00 H new ATOM 634 N SER A 46 14.296 3.001 0.857 1.00 0.00 N ATOM 635 CA SER A 46 13.578 3.154 -0.411 1.00 0.00 C ATOM 636 C SER A 46 12.552 2.042 -0.584 1.00 0.00 C ATOM 637 O SER A 46 12.896 0.860 -0.574 1.00 0.00 O ATOM 638 CB SER A 46 14.571 3.105 -1.572 1.00 0.00 C ATOM 639 OG SER A 46 15.638 4.009 -1.317 1.00 0.00 O ATOM 0 H SER A 46 14.615 2.051 1.047 1.00 0.00 H new ATOM 0 HA SER A 46 13.062 4.114 -0.402 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.958 2.093 -1.692 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.071 3.368 -2.504 1.00 0.00 H new ATOM 0 HG SER A 46 16.354 3.543 -0.837 1.00 0.00 H new ATOM 645 N LEU A 47 11.287 2.427 -0.746 1.00 0.00 N ATOM 646 CA LEU A 47 10.209 1.454 -0.930 1.00 0.00 C ATOM 647 C LEU A 47 10.027 1.146 -2.411 1.00 0.00 C ATOM 648 O LEU A 47 9.717 2.034 -3.205 1.00 0.00 O ATOM 649 CB LEU A 47 8.900 2.015 -0.372 1.00 0.00 C ATOM 650 CG LEU A 47 9.031 2.279 1.135 1.00 0.00 C ATOM 651 CD1 LEU A 47 7.755 2.971 1.624 1.00 0.00 C ATOM 652 CD2 LEU A 47 9.238 0.956 1.906 1.00 0.00 C ATOM 0 H LEU A 47 10.983 3.401 -0.754 1.00 0.00 H new ATOM 0 HA LEU A 47 10.472 0.539 -0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.643 2.940 -0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.088 1.312 -0.555 1.00 0.00 H new ATOM 0 HG LEU A 47 9.897 2.916 1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.833 3.165 2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.626 3.914 1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.896 2.327 1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.328 1.166 2.972 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.385 0.299 1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.147 0.468 1.554 1.00 0.00 H new ATOM 664 N LYS A 48 10.224 -0.122 -2.778 1.00 0.00 N ATOM 665 CA LYS A 48 10.085 -0.560 -4.174 1.00 0.00 C ATOM 666 C LYS A 48 9.157 -1.767 -4.258 1.00 0.00 C ATOM 667 O LYS A 48 9.127 -2.599 -3.356 1.00 0.00 O ATOM 668 CB LYS A 48 11.464 -0.928 -4.741 1.00 0.00 C ATOM 669 CG LYS A 48 12.382 0.320 -4.786 1.00 0.00 C ATOM 670 CD LYS A 48 12.175 1.093 -6.104 1.00 0.00 C ATOM 671 CE LYS A 48 12.723 2.522 -5.970 1.00 0.00 C ATOM 672 NZ LYS A 48 13.985 2.503 -5.181 1.00 0.00 N ATOM 0 H LYS A 48 10.481 -0.866 -2.129 1.00 0.00 H new ATOM 0 HA LYS A 48 9.658 0.255 -4.758 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.922 -1.702 -4.125 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.353 -1.342 -5.743 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.165 0.970 -3.938 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.425 0.016 -4.696 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.680 0.577 -6.920 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.114 1.124 -6.354 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.906 2.946 -6.957 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.987 3.160 -5.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.450 3.431 -5.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.769 2.295 -4.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.619 1.770 -5.558 1.00 0.00 H new ATOM 686 N TRP A 49 8.395 -1.844 -5.345 1.00 0.00 N ATOM 687 CA TRP A 49 7.453 -2.944 -5.544 1.00 0.00 C ATOM 688 C TRP A 49 8.176 -4.284 -5.653 1.00 0.00 C ATOM 689 O TRP A 49 9.373 -4.380 -5.388 1.00 0.00 O ATOM 690 CB TRP A 49 6.631 -2.692 -6.819 1.00 0.00 C ATOM 691 CG TRP A 49 5.630 -1.618 -6.560 1.00 0.00 C ATOM 692 CD1 TRP A 49 5.635 -0.390 -7.129 1.00 0.00 C ATOM 693 CD2 TRP A 49 4.481 -1.658 -5.672 1.00 0.00 C ATOM 694 NE1 TRP A 49 4.561 0.331 -6.642 1.00 0.00 N ATOM 695 CE2 TRP A 49 3.818 -0.406 -5.743 1.00 0.00 C ATOM 696 CE3 TRP A 49 3.948 -2.654 -4.812 1.00 0.00 C ATOM 697 CZ2 TRP A 49 2.668 -0.144 -4.992 1.00 0.00 C ATOM 698 CZ3 TRP A 49 2.784 -2.392 -4.051 1.00 0.00 C ATOM 699 CH2 TRP A 49 2.146 -1.137 -4.142 1.00 0.00 C ATOM 0 H TRP A 49 8.410 -1.160 -6.101 1.00 0.00 H new ATOM 0 HA TRP A 49 6.792 -2.988 -4.678 1.00 0.00 H new ATOM 0 HB2 TRP A 49 7.289 -2.401 -7.637 1.00 0.00 H new ATOM 0 HB3 TRP A 49 6.126 -3.608 -7.126 1.00 0.00 H new ATOM 0 HD1 TRP A 49 6.359 -0.032 -7.846 1.00 0.00 H new ATOM 0 HE1 TRP A 49 4.344 1.290 -6.914 1.00 0.00 H new ATOM 0 HE3 TRP A 49 4.433 -3.616 -4.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.182 0.818 -5.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 2.383 -3.154 -3.399 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.258 -0.938 -3.560 1.00 0.00 H new ATOM 710 N GLN A 50 7.420 -5.316 -6.044 1.00 0.00 N ATOM 711 CA GLN A 50 7.952 -6.674 -6.198 1.00 0.00 C ATOM 712 C GLN A 50 8.996 -6.988 -5.134 1.00 0.00 C ATOM 713 O GLN A 50 10.054 -7.540 -5.432 1.00 0.00 O ATOM 714 CB GLN A 50 8.560 -6.861 -7.596 1.00 0.00 C ATOM 715 CG GLN A 50 9.657 -5.818 -7.855 1.00 0.00 C ATOM 716 CD GLN A 50 10.438 -6.201 -9.112 1.00 0.00 C ATOM 717 OE1 GLN A 50 9.933 -6.092 -10.211 1.00 0.00 O ATOM 718 NE2 GLN A 50 11.658 -6.649 -8.995 1.00 0.00 N ATOM 0 H GLN A 50 6.427 -5.234 -6.262 1.00 0.00 H new ATOM 0 HA GLN A 50 7.120 -7.367 -6.074 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.977 -7.864 -7.685 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.780 -6.771 -8.352 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.213 -4.830 -7.977 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.330 -5.762 -6.999 1.00 0.00 H new ATOM 0 HE21 GLN A 50 12.081 -6.740 -8.072 1.00 0.00 H new ATOM 0 HE22 GLN A 50 12.188 -6.908 -9.827 1.00 0.00 H new ATOM 727 N GLY A 51 8.692 -6.628 -3.891 1.00 0.00 N ATOM 728 CA GLY A 51 9.610 -6.864 -2.788 1.00 0.00 C ATOM 729 C GLY A 51 8.882 -7.226 -1.512 1.00 0.00 C ATOM 730 O GLY A 51 7.653 -7.240 -1.468 1.00 0.00 O ATOM 0 H GLY A 51 7.819 -6.173 -3.625 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.297 -7.667 -3.054 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.213 -5.971 -2.621 1.00 0.00 H new ATOM 734 N SER A 52 9.647 -7.535 -0.469 1.00 0.00 N ATOM 735 CA SER A 52 9.062 -7.914 0.816 1.00 0.00 C ATOM 736 C SER A 52 10.030 -7.620 1.959 1.00 0.00 C ATOM 737 O SER A 52 11.207 -7.337 1.737 1.00 0.00 O ATOM 738 CB SER A 52 8.709 -9.404 0.799 1.00 0.00 C ATOM 739 OG SER A 52 9.794 -10.136 0.245 1.00 0.00 O ATOM 0 H SER A 52 10.667 -7.531 -0.486 1.00 0.00 H new ATOM 0 HA SER A 52 8.157 -7.327 0.975 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.499 -9.752 1.811 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.806 -9.569 0.211 1.00 0.00 H new ATOM 0 HG SER A 52 9.573 -11.091 0.234 1.00 0.00 H new ATOM 745 N ASN A 53 9.520 -7.702 3.183 1.00 0.00 N ATOM 746 CA ASN A 53 10.342 -7.457 4.361 1.00 0.00 C ATOM 747 C ASN A 53 10.761 -5.982 4.427 1.00 0.00 C ATOM 748 O ASN A 53 11.946 -5.670 4.547 1.00 0.00 O ATOM 749 CB ASN A 53 11.580 -8.387 4.304 1.00 0.00 C ATOM 750 CG ASN A 53 11.976 -8.861 5.710 1.00 0.00 C ATOM 751 OD1 ASN A 53 11.698 -9.984 6.084 1.00 0.00 O ATOM 752 ND2 ASN A 53 12.619 -8.051 6.504 1.00 0.00 N ATOM 0 H ASN A 53 8.548 -7.935 3.384 1.00 0.00 H new ATOM 0 HA ASN A 53 9.771 -7.674 5.264 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.363 -9.249 3.673 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.416 -7.859 3.845 1.00 0.00 H new ATOM 0 HD21 ASN A 53 12.888 -8.360 7.438 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.853 -7.109 6.191 1.00 0.00 H new ATOM 759 N PHE A 54 9.775 -5.074 4.365 1.00 0.00 N ATOM 760 CA PHE A 54 10.043 -3.628 4.434 1.00 0.00 C ATOM 761 C PHE A 54 9.535 -3.070 5.759 1.00 0.00 C ATOM 762 O PHE A 54 10.134 -2.170 6.338 1.00 0.00 O ATOM 763 CB PHE A 54 9.373 -2.900 3.233 1.00 0.00 C ATOM 764 CG PHE A 54 7.968 -2.430 3.558 1.00 0.00 C ATOM 765 CD1 PHE A 54 7.769 -1.231 4.271 1.00 0.00 C ATOM 766 CD2 PHE A 54 6.863 -3.188 3.138 1.00 0.00 C ATOM 767 CE1 PHE A 54 6.461 -0.791 4.565 1.00 0.00 C ATOM 768 CE2 PHE A 54 5.551 -2.752 3.430 1.00 0.00 C ATOM 769 CZ PHE A 54 5.351 -1.553 4.145 1.00 0.00 C ATOM 0 H PHE A 54 8.788 -5.313 4.268 1.00 0.00 H new ATOM 0 HA PHE A 54 11.118 -3.459 4.377 1.00 0.00 H new ATOM 0 HB2 PHE A 54 9.983 -2.044 2.944 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.340 -3.572 2.376 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.619 -0.648 4.593 1.00 0.00 H new ATOM 0 HD2 PHE A 54 7.016 -4.106 2.591 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.310 0.128 5.111 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.702 -3.336 3.106 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.349 -1.219 4.371 1.00 0.00 H new ATOM 779 N ILE A 55 8.435 -3.631 6.238 1.00 0.00 N ATOM 780 CA ILE A 55 7.864 -3.188 7.498 1.00 0.00 C ATOM 781 C ILE A 55 8.842 -3.460 8.625 1.00 0.00 C ATOM 782 O ILE A 55 8.980 -2.663 9.552 1.00 0.00 O ATOM 783 CB ILE A 55 6.541 -3.921 7.794 1.00 0.00 C ATOM 784 CG1 ILE A 55 5.946 -3.437 9.135 1.00 0.00 C ATOM 785 CG2 ILE A 55 6.795 -5.429 7.872 1.00 0.00 C ATOM 786 CD1 ILE A 55 5.723 -1.909 9.112 1.00 0.00 C ATOM 0 H ILE A 55 7.925 -4.386 5.778 1.00 0.00 H new ATOM 0 HA ILE A 55 7.664 -2.119 7.423 1.00 0.00 H new ATOM 0 HB ILE A 55 5.836 -3.705 6.992 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.000 -3.945 9.324 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.617 -3.700 9.953 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.858 -5.945 8.081 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.198 -5.780 6.922 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.510 -5.637 8.668 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.303 -1.588 10.065 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.675 -1.405 8.946 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.033 -1.654 8.308 1.00 0.00 H new ATOM 798 N GLU A 56 9.522 -4.594 8.531 1.00 0.00 N ATOM 799 CA GLU A 56 10.499 -4.978 9.538 1.00 0.00 C ATOM 800 C GLU A 56 11.475 -3.830 9.787 1.00 0.00 C ATOM 801 O GLU A 56 11.990 -3.672 10.893 1.00 0.00 O ATOM 802 CB GLU A 56 11.268 -6.223 9.053 1.00 0.00 C ATOM 803 CG GLU A 56 10.413 -7.503 9.244 1.00 0.00 C ATOM 804 CD GLU A 56 10.674 -8.125 10.624 1.00 0.00 C ATOM 805 OE1 GLU A 56 11.825 -8.159 11.031 1.00 0.00 O ATOM 806 OE2 GLU A 56 9.721 -8.566 11.244 1.00 0.00 O ATOM 0 H GLU A 56 9.415 -5.263 7.768 1.00 0.00 H new ATOM 0 HA GLU A 56 9.984 -5.208 10.471 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.530 -6.108 8.001 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.203 -6.318 9.606 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.355 -7.259 9.143 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.650 -8.225 8.463 1.00 0.00 H new ATOM 813 N ALA A 57 11.739 -3.041 8.739 1.00 0.00 N ATOM 814 CA ALA A 57 12.675 -1.916 8.833 1.00 0.00 C ATOM 815 C ALA A 57 11.980 -0.575 8.609 1.00 0.00 C ATOM 816 O ALA A 57 12.635 0.400 8.245 1.00 0.00 O ATOM 817 CB ALA A 57 13.773 -2.090 7.795 1.00 0.00 C ATOM 0 H ALA A 57 11.318 -3.161 7.818 1.00 0.00 H new ATOM 0 HA ALA A 57 13.094 -1.912 9.839 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.472 -1.256 7.861 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.304 -3.024 7.980 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.331 -2.115 6.799 1.00 0.00 H new ATOM 823 N CYS A 58 10.657 -0.513 8.815 1.00 0.00 N ATOM 824 CA CYS A 58 9.925 0.747 8.618 1.00 0.00 C ATOM 825 C CYS A 58 8.833 0.930 9.665 1.00 0.00 C ATOM 826 O CYS A 58 8.406 -0.027 10.310 1.00 0.00 O ATOM 827 CB CYS A 58 9.311 0.790 7.217 1.00 0.00 C ATOM 828 SG CYS A 58 10.606 0.464 6.000 1.00 0.00 S ATOM 0 H CYS A 58 10.082 -1.301 9.111 1.00 0.00 H new ATOM 0 HA CYS A 58 10.639 1.563 8.727 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.517 0.048 7.130 1.00 0.00 H new ATOM 0 HB3 CYS A 58 8.858 1.764 7.034 1.00 0.00 H new ATOM 833 N ARG A 59 8.394 2.182 9.835 1.00 0.00 N ATOM 834 CA ARG A 59 7.356 2.508 10.814 1.00 0.00 C ATOM 835 C ARG A 59 6.546 3.726 10.370 1.00 0.00 C ATOM 836 O ARG A 59 6.808 4.311 9.318 1.00 0.00 O ATOM 837 CB ARG A 59 7.991 2.770 12.195 1.00 0.00 C ATOM 838 CG ARG A 59 8.931 4.010 12.177 1.00 0.00 C ATOM 839 CD ARG A 59 10.355 3.614 11.765 1.00 0.00 C ATOM 840 NE ARG A 59 11.243 4.810 11.856 1.00 0.00 N ATOM 841 CZ ARG A 59 11.615 5.265 13.022 1.00 0.00 C ATOM 842 NH1 ARG A 59 11.286 4.623 14.108 1.00 0.00 N ATOM 843 NH2 ARG A 59 12.316 6.363 13.101 1.00 0.00 N ATOM 0 H ARG A 59 8.742 2.983 9.308 1.00 0.00 H new ATOM 0 HA ARG A 59 6.679 1.656 10.887 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.204 2.922 12.933 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.555 1.891 12.507 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.542 4.756 11.484 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.949 4.471 13.164 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.726 2.820 12.413 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.356 3.222 10.748 1.00 0.00 H new ATOM 0 HE ARG A 59 11.560 5.273 11.005 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.738 3.765 14.047 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.577 4.979 15.019 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.573 6.866 12.252 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.606 6.718 14.012 1.00 0.00 H new ATOM 857 N ASN A 60 5.567 4.108 11.189 1.00 0.00 N ATOM 858 CA ASN A 60 4.723 5.263 10.887 1.00 0.00 C ATOM 859 C ASN A 60 4.258 5.229 9.438 1.00 0.00 C ATOM 860 O ASN A 60 4.608 6.106 8.651 1.00 0.00 O ATOM 861 CB ASN A 60 5.503 6.565 11.138 1.00 0.00 C ATOM 862 CG ASN A 60 5.577 6.850 12.639 1.00 0.00 C ATOM 863 OD1 ASN A 60 4.607 7.275 13.236 1.00 0.00 O ATOM 864 ND2 ASN A 60 6.694 6.638 13.275 1.00 0.00 N ATOM 0 H ASN A 60 5.339 3.636 12.064 1.00 0.00 H new ATOM 0 HA ASN A 60 3.851 5.225 11.539 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.508 6.481 10.725 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.016 7.395 10.626 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.756 6.829 14.275 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.507 6.281 12.773 1.00 0.00 H new ATOM 871 N THR A 61 3.451 4.231 9.089 1.00 0.00 N ATOM 872 CA THR A 61 2.930 4.112 7.730 1.00 0.00 C ATOM 873 C THR A 61 1.492 4.620 7.698 1.00 0.00 C ATOM 874 O THR A 61 0.727 4.397 8.637 1.00 0.00 O ATOM 875 CB THR A 61 2.976 2.639 7.266 1.00 0.00 C ATOM 876 OG1 THR A 61 1.878 1.932 7.818 1.00 0.00 O ATOM 877 CG2 THR A 61 4.290 1.984 7.726 1.00 0.00 C ATOM 0 H THR A 61 3.144 3.495 9.726 1.00 0.00 H new ATOM 0 HA THR A 61 3.545 4.708 7.056 1.00 0.00 H new ATOM 0 HB THR A 61 2.921 2.607 6.178 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.614 1.211 7.209 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.314 0.946 7.395 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.135 2.522 7.296 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.353 2.019 8.814 1.00 0.00 H new ATOM 885 N GLN A 62 1.127 5.311 6.621 1.00 0.00 N ATOM 886 CA GLN A 62 -0.224 5.854 6.497 1.00 0.00 C ATOM 887 C GLN A 62 -0.540 6.213 5.047 1.00 0.00 C ATOM 888 O GLN A 62 0.329 6.154 4.177 1.00 0.00 O ATOM 889 CB GLN A 62 -0.368 7.101 7.374 1.00 0.00 C ATOM 890 CG GLN A 62 0.698 8.130 6.991 1.00 0.00 C ATOM 891 CD GLN A 62 0.578 9.349 7.907 1.00 0.00 C ATOM 892 OE1 GLN A 62 0.402 10.459 7.443 1.00 0.00 O ATOM 893 NE2 GLN A 62 0.665 9.189 9.199 1.00 0.00 N ATOM 0 H GLN A 62 1.740 5.507 5.829 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.927 5.089 6.827 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.362 7.531 7.251 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.265 6.831 8.425 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.692 7.691 7.080 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.573 8.429 5.950 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.813 8.258 9.589 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.585 9.995 9.819 1.00 0.00 H new ATOM 902 N LEU A 63 -1.795 6.591 4.800 1.00 0.00 N ATOM 903 CA LEU A 63 -2.242 6.968 3.456 1.00 0.00 C ATOM 904 C LEU A 63 -2.024 8.462 3.226 1.00 0.00 C ATOM 905 O LEU A 63 -2.355 9.284 4.081 1.00 0.00 O ATOM 906 CB LEU A 63 -3.737 6.640 3.310 1.00 0.00 C ATOM 907 CG LEU A 63 -4.217 6.859 1.851 1.00 0.00 C ATOM 908 CD1 LEU A 63 -3.902 5.629 0.988 1.00 0.00 C ATOM 909 CD2 LEU A 63 -5.734 7.088 1.839 1.00 0.00 C ATOM 0 H LEU A 63 -2.522 6.645 5.514 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.665 6.410 2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.916 5.606 3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.318 7.268 3.985 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.698 7.727 1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.246 5.802 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.826 5.454 0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.410 4.756 1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.071 7.242 0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.237 6.217 2.259 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.974 7.968 2.436 1.00 0.00 H new ATOM 921 N ALA A 64 -1.464 8.806 2.064 1.00 0.00 N ATOM 922 CA ALA A 64 -1.197 10.208 1.715 1.00 0.00 C ATOM 923 C ALA A 64 -1.788 10.549 0.347 1.00 0.00 C ATOM 924 O ALA A 64 -1.677 9.772 -0.598 1.00 0.00 O ATOM 925 CB ALA A 64 0.305 10.447 1.696 1.00 0.00 C ATOM 0 H ALA A 64 -1.186 8.135 1.348 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.665 10.849 2.463 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.505 11.487 1.437 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.720 10.232 2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.768 9.794 0.956 1.00 0.00 H new ATOM 931 N GLY A 65 -2.401 11.728 0.252 1.00 0.00 N ATOM 932 CA GLY A 65 -2.989 12.186 -1.000 1.00 0.00 C ATOM 933 C GLY A 65 -4.277 11.465 -1.368 1.00 0.00 C ATOM 934 O GLY A 65 -5.320 12.096 -1.519 1.00 0.00 O ATOM 0 H GLY A 65 -2.502 12.381 1.029 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.189 13.255 -0.928 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.264 12.050 -1.803 1.00 0.00 H new ATOM 938 N SER A 66 -4.191 10.142 -1.486 1.00 0.00 N ATOM 939 CA SER A 66 -5.356 9.313 -1.826 1.00 0.00 C ATOM 940 C SER A 66 -4.938 7.880 -2.131 1.00 0.00 C ATOM 941 O SER A 66 -5.566 6.931 -1.660 1.00 0.00 O ATOM 942 CB SER A 66 -6.098 9.881 -3.050 1.00 0.00 C ATOM 943 OG SER A 66 -5.152 10.248 -4.045 1.00 0.00 O ATOM 0 H SER A 66 -3.328 9.616 -1.352 1.00 0.00 H new ATOM 0 HA SER A 66 -6.019 9.322 -0.961 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.790 9.138 -3.447 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.692 10.748 -2.760 1.00 0.00 H new ATOM 0 HG SER A 66 -5.622 10.608 -4.826 1.00 0.00 H new ATOM 949 N SER A 67 -3.885 7.728 -2.935 1.00 0.00 N ATOM 950 CA SER A 67 -3.395 6.401 -3.317 1.00 0.00 C ATOM 951 C SER A 67 -1.881 6.332 -3.186 1.00 0.00 C ATOM 952 O SER A 67 -1.222 5.644 -3.958 1.00 0.00 O ATOM 953 CB SER A 67 -3.809 6.084 -4.765 1.00 0.00 C ATOM 954 OG SER A 67 -2.747 6.415 -5.652 1.00 0.00 O ATOM 0 H SER A 67 -3.356 8.504 -3.334 1.00 0.00 H new ATOM 0 HA SER A 67 -3.837 5.663 -2.647 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.058 5.027 -4.859 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.704 6.647 -5.029 1.00 0.00 H new ATOM 0 HG SER A 67 -1.965 5.861 -5.447 1.00 0.00 H new ATOM 960 N GLU A 68 -1.335 7.032 -2.190 1.00 0.00 N ATOM 961 CA GLU A 68 0.111 7.022 -1.935 1.00 0.00 C ATOM 962 C GLU A 68 0.357 6.474 -0.539 1.00 0.00 C ATOM 963 O GLU A 68 -0.488 6.614 0.347 1.00 0.00 O ATOM 964 CB GLU A 68 0.711 8.431 -2.065 1.00 0.00 C ATOM 965 CG GLU A 68 0.166 9.117 -3.328 1.00 0.00 C ATOM 966 CD GLU A 68 1.045 10.321 -3.686 1.00 0.00 C ATOM 967 OE1 GLU A 68 1.203 11.189 -2.842 1.00 0.00 O ATOM 968 OE2 GLU A 68 1.546 10.354 -4.799 1.00 0.00 O ATOM 0 H GLU A 68 -1.870 7.614 -1.545 1.00 0.00 H new ATOM 0 HA GLU A 68 0.597 6.389 -2.677 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.465 9.023 -1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.798 8.370 -2.114 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.147 8.410 -4.157 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.861 9.442 -3.162 1.00 0.00 H new ATOM 975 N LEU A 69 1.512 5.838 -0.350 1.00 0.00 N ATOM 976 CA LEU A 69 1.869 5.248 0.944 1.00 0.00 C ATOM 977 C LEU A 69 3.083 5.937 1.520 1.00 0.00 C ATOM 978 O LEU A 69 4.201 5.704 1.077 1.00 0.00 O ATOM 979 CB LEU A 69 2.155 3.748 0.752 1.00 0.00 C ATOM 980 CG LEU A 69 2.705 3.058 2.037 1.00 0.00 C ATOM 981 CD1 LEU A 69 4.235 3.272 2.221 1.00 0.00 C ATOM 982 CD2 LEU A 69 1.953 3.554 3.283 1.00 0.00 C ATOM 0 H LEU A 69 2.219 5.717 -1.076 1.00 0.00 H new ATOM 0 HA LEU A 69 1.040 5.377 1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.238 3.247 0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.875 3.623 -0.056 1.00 0.00 H new ATOM 0 HG LEU A 69 2.537 1.988 1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.566 2.771 3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.766 2.857 1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.447 4.339 2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.352 3.060 4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.081 4.632 3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.893 3.322 3.185 1.00 0.00 H new ATOM 994 N ALA A 70 2.855 6.770 2.531 1.00 0.00 N ATOM 995 CA ALA A 70 3.940 7.479 3.198 1.00 0.00 C ATOM 996 C ALA A 70 4.393 6.674 4.405 1.00 0.00 C ATOM 997 O ALA A 70 3.572 6.218 5.201 1.00 0.00 O ATOM 998 CB ALA A 70 3.461 8.851 3.643 1.00 0.00 C ATOM 0 H ALA A 70 1.928 6.970 2.906 1.00 0.00 H new ATOM 0 HA ALA A 70 4.775 7.603 2.508 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.276 9.377 4.141 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.138 9.423 2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.626 8.738 4.334 1.00 0.00 H new ATOM 1004 N ALA A 71 5.698 6.495 4.538 1.00 0.00 N ATOM 1005 CA ALA A 71 6.241 5.734 5.654 1.00 0.00 C ATOM 1006 C ALA A 71 7.705 6.072 5.856 1.00 0.00 C ATOM 1007 O ALA A 71 8.330 6.698 5.001 1.00 0.00 O ATOM 1008 CB ALA A 71 6.087 4.245 5.386 1.00 0.00 C ATOM 0 H ALA A 71 6.397 6.863 3.893 1.00 0.00 H new ATOM 0 HA ALA A 71 5.692 5.995 6.559 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.495 3.680 6.224 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.031 4.004 5.266 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.625 3.982 4.475 1.00 0.00 H new ATOM 1014 N GLU A 72 8.248 5.650 6.993 1.00 0.00 N ATOM 1015 CA GLU A 72 9.651 5.898 7.319 1.00 0.00 C ATOM 1016 C GLU A 72 10.417 4.584 7.297 1.00 0.00 C ATOM 1017 O GLU A 72 10.011 3.629 7.944 1.00 0.00 O ATOM 1018 CB GLU A 72 9.746 6.542 8.706 1.00 0.00 C ATOM 1019 CG GLU A 72 9.292 8.005 8.637 1.00 0.00 C ATOM 1020 CD GLU A 72 9.566 8.689 9.977 1.00 0.00 C ATOM 1021 OE1 GLU A 72 10.718 8.723 10.379 1.00 0.00 O ATOM 1022 OE2 GLU A 72 8.619 9.167 10.579 1.00 0.00 O ATOM 0 H GLU A 72 7.737 5.132 7.708 1.00 0.00 H new ATOM 0 HA GLU A 72 10.086 6.574 6.583 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.125 5.993 9.414 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.771 6.488 9.072 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.821 8.523 7.837 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.229 8.056 8.401 1.00 0.00 H new ATOM 1029 N CYS A 73 11.520 4.536 6.536 1.00 0.00 N ATOM 1030 CA CYS A 73 12.331 3.311 6.418 1.00 0.00 C ATOM 1031 C CYS A 73 13.792 3.570 6.772 1.00 0.00 C ATOM 1032 O CYS A 73 14.360 4.603 6.420 1.00 0.00 O ATOM 1033 CB CYS A 73 12.225 2.776 4.993 1.00 0.00 C ATOM 1034 SG CYS A 73 10.588 2.053 4.766 1.00 0.00 S ATOM 0 H CYS A 73 11.871 5.326 5.995 1.00 0.00 H new ATOM 0 HA CYS A 73 11.948 2.574 7.123 1.00 0.00 H new ATOM 0 HB2 CYS A 73 12.386 3.580 4.275 1.00 0.00 H new ATOM 0 HB3 CYS A 73 12.997 2.028 4.812 1.00 0.00 H new ATOM 1039 N LYS A 74 14.381 2.614 7.487 1.00 0.00 N ATOM 1040 CA LYS A 74 15.770 2.717 7.929 1.00 0.00 C ATOM 1041 C LYS A 74 16.755 2.571 6.766 1.00 0.00 C ATOM 1042 O LYS A 74 16.656 1.652 5.953 1.00 0.00 O ATOM 1043 CB LYS A 74 16.041 1.641 9.018 1.00 0.00 C ATOM 1044 CG LYS A 74 16.634 2.283 10.279 1.00 0.00 C ATOM 1045 CD LYS A 74 16.792 1.221 11.369 1.00 0.00 C ATOM 1046 CE LYS A 74 17.410 1.850 12.622 1.00 0.00 C ATOM 1047 NZ LYS A 74 17.200 0.942 13.785 1.00 0.00 N ATOM 0 H LYS A 74 13.914 1.754 7.774 1.00 0.00 H new ATOM 0 HA LYS A 74 15.924 3.711 8.348 1.00 0.00 H new ATOM 0 HB2 LYS A 74 15.113 1.127 9.268 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.727 0.888 8.630 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.601 2.731 10.051 1.00 0.00 H new ATOM 0 HG3 LYS A 74 15.985 3.086 10.630 1.00 0.00 H new ATOM 0 HD2 LYS A 74 15.822 0.787 11.610 1.00 0.00 H new ATOM 0 HD3 LYS A 74 17.424 0.409 11.009 1.00 0.00 H new ATOM 0 HE2 LYS A 74 18.475 2.022 12.468 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.955 2.821 12.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 17.619 1.367 14.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 16.181 0.799 13.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 17.654 0.026 13.596 1.00 0.00 H new ATOM 1061 N THR A 75 17.703 3.504 6.709 1.00 0.00 N ATOM 1062 CA THR A 75 18.719 3.509 5.663 1.00 0.00 C ATOM 1063 C THR A 75 19.820 2.497 5.976 1.00 0.00 C ATOM 1064 O THR A 75 19.861 1.928 7.066 1.00 0.00 O ATOM 1065 CB THR A 75 19.354 4.908 5.520 1.00 0.00 C ATOM 1066 OG1 THR A 75 19.756 5.373 6.799 1.00 0.00 O ATOM 1067 CG2 THR A 75 18.333 5.882 4.922 1.00 0.00 C ATOM 0 H THR A 75 17.787 4.269 7.379 1.00 0.00 H new ATOM 0 HA THR A 75 18.228 3.238 4.728 1.00 0.00 H new ATOM 0 HB THR A 75 20.220 4.846 4.862 1.00 0.00 H new ATOM 0 HG1 THR A 75 20.621 5.828 6.725 1.00 0.00 H new ATOM 0 HG21 THR A 75 18.786 6.868 4.823 1.00 0.00 H new ATOM 0 HG22 THR A 75 18.022 5.525 3.940 1.00 0.00 H new ATOM 0 HG23 THR A 75 17.464 5.946 5.577 1.00 0.00 H new ATOM 1075 N ALA A 76 20.709 2.278 5.012 1.00 0.00 N ATOM 1076 CA ALA A 76 21.803 1.332 5.198 1.00 0.00 C ATOM 1077 C ALA A 76 22.665 1.738 6.390 1.00 0.00 C ATOM 1078 O ALA A 76 23.319 0.899 7.009 1.00 0.00 O ATOM 1079 CB ALA A 76 22.654 1.272 3.936 1.00 0.00 C ATOM 0 H ALA A 76 20.694 2.738 4.102 1.00 0.00 H new ATOM 0 HA ALA A 76 21.383 0.346 5.395 1.00 0.00 H new ATOM 0 HB1 ALA A 76 23.470 0.564 4.081 1.00 0.00 H new ATOM 0 HB2 ALA A 76 22.038 0.949 3.097 1.00 0.00 H new ATOM 0 HB3 ALA A 76 23.064 2.260 3.726 1.00 0.00 H new ATOM 1085 N ALA A 77 22.661 3.032 6.704 1.00 0.00 N ATOM 1086 CA ALA A 77 23.448 3.547 7.823 1.00 0.00 C ATOM 1087 C ALA A 77 22.686 3.394 9.134 1.00 0.00 C ATOM 1088 O ALA A 77 23.266 3.510 10.214 1.00 0.00 O ATOM 1089 CB ALA A 77 23.770 5.014 7.589 1.00 0.00 C ATOM 0 H ALA A 77 22.125 3.740 6.202 1.00 0.00 H new ATOM 0 HA ALA A 77 24.373 2.974 7.889 1.00 0.00 H new ATOM 0 HB1 ALA A 77 24.357 5.396 8.425 1.00 0.00 H new ATOM 0 HB2 ALA A 77 24.341 5.118 6.667 1.00 0.00 H new ATOM 0 HB3 ALA A 77 22.843 5.581 7.508 1.00 0.00 H new ATOM 1095 N GLY A 78 21.382 3.128 9.041 1.00 0.00 N ATOM 1096 CA GLY A 78 20.551 2.959 10.226 1.00 0.00 C ATOM 1097 C GLY A 78 19.782 4.224 10.569 1.00 0.00 C ATOM 1098 O GLY A 78 19.578 4.531 11.744 1.00 0.00 O ATOM 0 H GLY A 78 20.883 3.026 8.157 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.849 2.141 10.062 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.179 2.676 11.071 1.00 0.00 H new ATOM 1102 N GLN A 79 19.354 4.968 9.540 1.00 0.00 N ATOM 1103 CA GLN A 79 18.603 6.219 9.743 1.00 0.00 C ATOM 1104 C GLN A 79 17.281 6.192 8.976 1.00 0.00 C ATOM 1105 O GLN A 79 17.237 5.904 7.781 1.00 0.00 O ATOM 1106 CB GLN A 79 19.455 7.417 9.283 1.00 0.00 C ATOM 1107 CG GLN A 79 20.499 7.759 10.361 1.00 0.00 C ATOM 1108 CD GLN A 79 21.609 8.622 9.759 1.00 0.00 C ATOM 1109 OE1 GLN A 79 21.726 9.790 10.072 1.00 0.00 O ATOM 1110 NE2 GLN A 79 22.436 8.089 8.904 1.00 0.00 N ATOM 0 H GLN A 79 19.513 4.728 8.561 1.00 0.00 H new ATOM 0 HA GLN A 79 18.379 6.320 10.805 1.00 0.00 H new ATOM 0 HB2 GLN A 79 19.954 7.181 8.343 1.00 0.00 H new ATOM 0 HB3 GLN A 79 18.815 8.280 9.097 1.00 0.00 H new ATOM 0 HG2 GLN A 79 20.022 8.289 11.186 1.00 0.00 H new ATOM 0 HG3 GLN A 79 20.922 6.843 10.773 1.00 0.00 H new ATOM 0 HE21 GLN A 79 22.337 7.108 8.642 1.00 0.00 H new ATOM 0 HE22 GLN A 79 23.182 8.653 8.497 1.00 0.00 H new ATOM 1119 N PHE A 80 16.209 6.501 9.695 1.00 0.00 N ATOM 1120 CA PHE A 80 14.869 6.519 9.120 1.00 0.00 C ATOM 1121 C PHE A 80 14.637 7.787 8.292 1.00 0.00 C ATOM 1122 O PHE A 80 14.683 8.899 8.814 1.00 0.00 O ATOM 1123 CB PHE A 80 13.839 6.439 10.256 1.00 0.00 C ATOM 1124 CG PHE A 80 13.769 5.023 10.808 1.00 0.00 C ATOM 1125 CD1 PHE A 80 13.116 4.008 10.073 1.00 0.00 C ATOM 1126 CD2 PHE A 80 14.347 4.721 12.062 1.00 0.00 C ATOM 1127 CE1 PHE A 80 13.043 2.696 10.593 1.00 0.00 C ATOM 1128 CE2 PHE A 80 14.270 3.410 12.581 1.00 0.00 C ATOM 1129 CZ PHE A 80 13.620 2.397 11.845 1.00 0.00 C ATOM 0 H PHE A 80 16.242 6.744 10.685 1.00 0.00 H new ATOM 0 HA PHE A 80 14.761 5.663 8.454 1.00 0.00 H new ATOM 0 HB2 PHE A 80 14.110 7.133 11.051 1.00 0.00 H new ATOM 0 HB3 PHE A 80 12.859 6.742 9.889 1.00 0.00 H new ATOM 0 HD1 PHE A 80 12.673 4.235 9.114 1.00 0.00 H new ATOM 0 HD2 PHE A 80 14.849 5.495 12.624 1.00 0.00 H new ATOM 0 HE1 PHE A 80 12.544 1.920 10.031 1.00 0.00 H new ATOM 0 HE2 PHE A 80 14.709 3.183 13.541 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.564 1.393 12.240 1.00 0.00 H new ATOM 1139 N VAL A 81 14.362 7.601 6.995 1.00 0.00 N ATOM 1140 CA VAL A 81 14.090 8.722 6.082 1.00 0.00 C ATOM 1141 C VAL A 81 12.615 8.702 5.707 1.00 0.00 C ATOM 1142 O VAL A 81 11.906 7.787 6.093 1.00 0.00 O ATOM 1143 CB VAL A 81 14.932 8.610 4.798 1.00 0.00 C ATOM 1144 CG1 VAL A 81 16.400 8.877 5.131 1.00 0.00 C ATOM 1145 CG2 VAL A 81 14.791 7.203 4.213 1.00 0.00 C ATOM 0 H VAL A 81 14.322 6.683 6.552 1.00 0.00 H new ATOM 0 HA VAL A 81 14.350 9.652 6.587 1.00 0.00 H new ATOM 0 HB VAL A 81 14.582 9.341 4.069 1.00 0.00 H new ATOM 0 HG11 VAL A 81 16.999 8.798 4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 81 16.502 9.879 5.548 1.00 0.00 H new ATOM 0 HG13 VAL A 81 16.747 8.144 5.859 1.00 0.00 H new ATOM 0 HG21 VAL A 81 15.388 7.125 3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 81 15.140 6.470 4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 81 13.744 7.010 3.978 1.00 0.00 H new ATOM 1155 N SER A 82 12.149 9.690 4.939 1.00 0.00 N ATOM 1156 CA SER A 82 10.739 9.729 4.527 1.00 0.00 C ATOM 1157 C SER A 82 10.575 9.074 3.160 1.00 0.00 C ATOM 1158 O SER A 82 11.031 9.610 2.150 1.00 0.00 O ATOM 1159 CB SER A 82 10.251 11.183 4.464 1.00 0.00 C ATOM 1160 OG SER A 82 9.961 11.635 5.779 1.00 0.00 O ATOM 0 H SER A 82 12.716 10.464 4.593 1.00 0.00 H new ATOM 0 HA SER A 82 10.144 9.182 5.259 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.013 11.816 4.009 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.362 11.254 3.838 1.00 0.00 H new ATOM 0 HG SER A 82 9.650 12.564 5.745 1.00 0.00 H new ATOM 1166 N THR A 83 9.927 7.909 3.133 1.00 0.00 N ATOM 1167 CA THR A 83 9.710 7.181 1.881 1.00 0.00 C ATOM 1168 C THR A 83 8.252 7.236 1.459 1.00 0.00 C ATOM 1169 O THR A 83 7.347 7.243 2.294 1.00 0.00 O ATOM 1170 CB THR A 83 10.102 5.704 2.030 1.00 0.00 C ATOM 1171 OG1 THR A 83 9.234 5.078 2.966 1.00 0.00 O ATOM 1172 CG2 THR A 83 11.551 5.591 2.518 1.00 0.00 C ATOM 0 H THR A 83 9.544 7.450 3.960 1.00 0.00 H new ATOM 0 HA THR A 83 10.333 7.661 1.126 1.00 0.00 H new ATOM 0 HB THR A 83 10.015 5.211 1.062 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.904 5.745 3.603 1.00 0.00 H new ATOM 0 HG21 THR A 83 11.819 4.540 2.621 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.216 6.067 1.797 1.00 0.00 H new ATOM 0 HG23 THR A 83 11.649 6.086 3.484 1.00 0.00 H new ATOM 1180 N LYS A 84 8.036 7.273 0.146 1.00 0.00 N ATOM 1181 CA LYS A 84 6.688 7.326 -0.412 1.00 0.00 C ATOM 1182 C LYS A 84 6.611 6.497 -1.689 1.00 0.00 C ATOM 1183 O LYS A 84 7.620 6.268 -2.354 1.00 0.00 O ATOM 1184 CB LYS A 84 6.307 8.785 -0.707 1.00 0.00 C ATOM 1185 CG LYS A 84 7.311 9.422 -1.712 1.00 0.00 C ATOM 1186 CD LYS A 84 6.720 9.433 -3.137 1.00 0.00 C ATOM 1187 CE LYS A 84 7.835 9.631 -4.169 1.00 0.00 C ATOM 1188 NZ LYS A 84 7.256 9.556 -5.540 1.00 0.00 N ATOM 0 H LYS A 84 8.779 7.267 -0.552 1.00 0.00 H new ATOM 0 HA LYS A 84 5.988 6.912 0.314 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.298 8.827 -1.117 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.299 9.359 0.220 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.547 10.440 -1.403 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.246 8.862 -1.705 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.198 8.496 -3.330 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.984 10.232 -3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.319 10.596 -4.018 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.602 8.867 -4.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.010 9.690 -6.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.814 8.625 -5.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.539 10.301 -5.655 1.00 0.00 H new ATOM 1202 N ILE A 85 5.406 6.054 -2.028 1.00 0.00 N ATOM 1203 CA ILE A 85 5.203 5.255 -3.231 1.00 0.00 C ATOM 1204 C ILE A 85 3.725 5.246 -3.604 1.00 0.00 C ATOM 1205 O ILE A 85 2.855 5.290 -2.734 1.00 0.00 O ATOM 1206 CB ILE A 85 5.696 3.811 -3.027 1.00 0.00 C ATOM 1207 CG1 ILE A 85 5.491 3.012 -4.322 1.00 0.00 C ATOM 1208 CG2 ILE A 85 4.920 3.165 -1.883 1.00 0.00 C ATOM 1209 CD1 ILE A 85 6.241 1.675 -4.249 1.00 0.00 C ATOM 0 H ILE A 85 4.558 6.233 -1.490 1.00 0.00 H new ATOM 0 HA ILE A 85 5.781 5.704 -4.039 1.00 0.00 H new ATOM 0 HB ILE A 85 6.757 3.817 -2.778 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.428 2.832 -4.481 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.848 3.590 -5.174 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.269 2.143 -1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.079 3.735 -0.968 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.857 3.155 -2.124 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.086 1.120 -5.174 1.00 0.00 H new ATOM 0 HD12 ILE A 85 7.306 1.862 -4.112 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.864 1.092 -3.409 1.00 0.00 H new ATOM 1221 N ASN A 86 3.448 5.213 -4.905 1.00 0.00 N ATOM 1222 CA ASN A 86 2.069 5.228 -5.391 1.00 0.00 C ATOM 1223 C ASN A 86 1.437 3.837 -5.299 1.00 0.00 C ATOM 1224 O ASN A 86 1.864 2.908 -5.978 1.00 0.00 O ATOM 1225 CB ASN A 86 2.055 5.743 -6.852 1.00 0.00 C ATOM 1226 CG ASN A 86 0.835 6.642 -7.098 1.00 0.00 C ATOM 1227 OD1 ASN A 86 -0.272 6.410 -6.448 1.00 0.00 O flip ATOM 1228 ND2 ASN A 86 0.898 7.566 -7.883 1.00 0.00 N flip ATOM 0 H ASN A 86 4.155 5.176 -5.639 1.00 0.00 H new ATOM 0 HA ASN A 86 1.476 5.895 -4.765 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.970 6.299 -7.056 1.00 0.00 H new ATOM 0 HB3 ASN A 86 2.035 4.898 -7.541 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.764 7.746 -8.390 1.00 0.00 H new ATOM 0 HD22 ASN A 86 0.085 8.162 -8.035 1.00 0.00 H new ATOM 1235 N LEU A 87 0.404 3.722 -4.469 1.00 0.00 N ATOM 1236 CA LEU A 87 -0.314 2.463 -4.289 1.00 0.00 C ATOM 1237 C LEU A 87 -1.087 2.094 -5.555 1.00 0.00 C ATOM 1238 O LEU A 87 -1.273 0.921 -5.866 1.00 0.00 O ATOM 1239 CB LEU A 87 -1.303 2.616 -3.132 1.00 0.00 C ATOM 1240 CG LEU A 87 -0.548 2.766 -1.798 1.00 0.00 C ATOM 1241 CD1 LEU A 87 -1.541 3.171 -0.678 1.00 0.00 C ATOM 1242 CD2 LEU A 87 0.168 1.433 -1.430 1.00 0.00 C ATOM 0 H LEU A 87 0.043 4.492 -3.906 1.00 0.00 H new ATOM 0 HA LEU A 87 0.408 1.675 -4.076 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.936 3.487 -3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.960 1.748 -3.090 1.00 0.00 H new ATOM 0 HG LEU A 87 0.207 3.545 -1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.003 3.276 0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.012 4.120 -0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.307 2.402 -0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.698 1.553 -0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.571 0.638 -1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.879 1.174 -2.214 1.00 0.00 H new ATOM 1254 N ASP A 88 -1.539 3.112 -6.272 1.00 0.00 N ATOM 1255 CA ASP A 88 -2.306 2.898 -7.495 1.00 0.00 C ATOM 1256 C ASP A 88 -1.446 2.281 -8.595 1.00 0.00 C ATOM 1257 O ASP A 88 -1.950 1.920 -9.659 1.00 0.00 O ATOM 1258 CB ASP A 88 -2.879 4.233 -7.977 1.00 0.00 C ATOM 1259 CG ASP A 88 -1.744 5.182 -8.358 1.00 0.00 C ATOM 1260 OD1 ASP A 88 -0.600 4.765 -8.296 1.00 0.00 O ATOM 1261 OD2 ASP A 88 -2.040 6.312 -8.707 1.00 0.00 O ATOM 0 H ASP A 88 -1.390 4.092 -6.031 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.115 2.202 -7.271 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.531 4.070 -8.835 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.490 4.680 -7.193 1.00 0.00 H new ATOM 1266 N ASP A 89 -0.149 2.173 -8.339 1.00 0.00 N ATOM 1267 CA ASP A 89 0.768 1.615 -9.325 1.00 0.00 C ATOM 1268 C ASP A 89 0.441 0.150 -9.628 1.00 0.00 C ATOM 1269 O ASP A 89 0.505 -0.276 -10.782 1.00 0.00 O ATOM 1270 CB ASP A 89 2.214 1.746 -8.816 1.00 0.00 C ATOM 1271 CG ASP A 89 3.199 1.712 -9.991 1.00 0.00 C ATOM 1272 OD1 ASP A 89 3.007 0.896 -10.878 1.00 0.00 O ATOM 1273 OD2 ASP A 89 4.124 2.507 -9.984 1.00 0.00 O ATOM 0 H ASP A 89 0.290 2.462 -7.465 1.00 0.00 H new ATOM 0 HA ASP A 89 0.657 2.175 -10.253 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.329 2.679 -8.264 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.437 0.935 -8.122 1.00 0.00 H new ATOM 1278 N HIS A 90 0.094 -0.623 -8.591 1.00 0.00 N ATOM 1279 CA HIS A 90 -0.235 -2.049 -8.768 1.00 0.00 C ATOM 1280 C HIS A 90 -1.519 -2.422 -8.026 1.00 0.00 C ATOM 1281 O HIS A 90 -2.301 -3.240 -8.510 1.00 0.00 O ATOM 1282 CB HIS A 90 0.908 -2.922 -8.244 1.00 0.00 C ATOM 1283 CG HIS A 90 2.122 -2.763 -9.118 1.00 0.00 C ATOM 1284 ND1 HIS A 90 2.355 -3.581 -10.213 1.00 0.00 N ATOM 1285 CD2 HIS A 90 3.185 -1.897 -9.063 1.00 0.00 C ATOM 1286 CE1 HIS A 90 3.518 -3.196 -10.766 1.00 0.00 C ATOM 1287 NE2 HIS A 90 4.067 -2.174 -10.104 1.00 0.00 N ATOM 0 H HIS A 90 0.033 -0.292 -7.628 1.00 0.00 H new ATOM 0 HA HIS A 90 -0.382 -2.221 -9.834 1.00 0.00 H new ATOM 0 HB2 HIS A 90 1.149 -2.642 -7.219 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.598 -3.967 -8.225 1.00 0.00 H new ATOM 0 HD1 HIS A 90 1.753 -4.337 -10.539 1.00 0.00 H new ATOM 0 HD2 HIS A 90 3.317 -1.120 -8.325 1.00 0.00 H new ATOM 0 HE1 HIS A 90 3.955 -3.657 -11.639 1.00 0.00 H new ATOM 1295 N ILE A 91 -1.731 -1.837 -6.849 1.00 0.00 N ATOM 1296 CA ILE A 91 -2.930 -2.145 -6.071 1.00 0.00 C ATOM 1297 C ILE A 91 -4.177 -1.865 -6.901 1.00 0.00 C ATOM 1298 O ILE A 91 -4.386 -0.745 -7.366 1.00 0.00 O ATOM 1299 CB ILE A 91 -2.999 -1.303 -4.776 1.00 0.00 C ATOM 1300 CG1 ILE A 91 -1.673 -1.436 -3.991 1.00 0.00 C ATOM 1301 CG2 ILE A 91 -4.201 -1.749 -3.907 1.00 0.00 C ATOM 1302 CD1 ILE A 91 -1.346 -2.905 -3.690 1.00 0.00 C ATOM 0 H ILE A 91 -1.102 -1.159 -6.419 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.882 -3.200 -5.802 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.143 -0.255 -5.040 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.861 -0.991 -4.567 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.744 -0.879 -3.057 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.237 -1.147 -2.999 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -5.126 -1.614 -4.468 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.088 -2.800 -3.642 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.408 -2.963 -3.138 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.147 -3.341 -3.093 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.251 -3.456 -4.626 1.00 0.00 H new ATOM 1314 N ALA A 92 -5.001 -2.897 -7.086 1.00 0.00 N ATOM 1315 CA ALA A 92 -6.237 -2.782 -7.868 1.00 0.00 C ATOM 1316 C ALA A 92 -7.431 -3.219 -7.030 1.00 0.00 C ATOM 1317 O ALA A 92 -7.271 -3.754 -5.933 1.00 0.00 O ATOM 1318 CB ALA A 92 -6.141 -3.663 -9.106 1.00 0.00 C ATOM 0 H ALA A 92 -4.835 -3.828 -6.703 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.371 -1.742 -8.166 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.060 -3.577 -9.686 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.296 -3.343 -9.715 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.999 -4.701 -8.804 1.00 0.00 H new ATOM 1324 N ASN A 93 -8.631 -3.003 -7.564 1.00 0.00 N ATOM 1325 CA ASN A 93 -9.869 -3.389 -6.882 1.00 0.00 C ATOM 1326 C ASN A 93 -10.511 -4.556 -7.621 1.00 0.00 C ATOM 1327 O ASN A 93 -10.833 -4.448 -8.804 1.00 0.00 O ATOM 1328 CB ASN A 93 -10.835 -2.207 -6.862 1.00 0.00 C ATOM 1329 CG ASN A 93 -12.037 -2.536 -5.974 1.00 0.00 C ATOM 1330 OD1 ASN A 93 -11.885 -3.111 -4.914 1.00 0.00 O ATOM 1331 ND2 ASN A 93 -13.233 -2.191 -6.365 1.00 0.00 N ATOM 0 H ASN A 93 -8.775 -2.560 -8.472 1.00 0.00 H new ATOM 0 HA ASN A 93 -9.640 -3.686 -5.858 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.328 -1.317 -6.489 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -11.170 -1.982 -7.875 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -14.042 -2.404 -5.781 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -13.359 -1.708 -7.255 1.00 0.00 H new ATOM 1338 N ILE A 94 -10.698 -5.672 -6.916 1.00 0.00 N ATOM 1339 CA ILE A 94 -11.302 -6.876 -7.496 1.00 0.00 C ATOM 1340 C ILE A 94 -12.607 -7.205 -6.773 1.00 0.00 C ATOM 1341 O ILE A 94 -12.595 -7.673 -5.635 1.00 0.00 O ATOM 1342 CB ILE A 94 -10.344 -8.083 -7.344 1.00 0.00 C ATOM 1343 CG1 ILE A 94 -8.928 -7.695 -7.829 1.00 0.00 C ATOM 1344 CG2 ILE A 94 -10.880 -9.307 -8.125 1.00 0.00 C ATOM 1345 CD1 ILE A 94 -8.946 -7.206 -9.284 1.00 0.00 C ATOM 0 H ILE A 94 -10.438 -5.769 -5.934 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.495 -6.686 -8.552 1.00 0.00 H new ATOM 0 HB ILE A 94 -10.287 -8.358 -6.291 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.524 -6.913 -7.186 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.264 -8.555 -7.741 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -10.193 -10.144 -8.005 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.861 -9.584 -7.738 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -10.965 -9.055 -9.182 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -7.934 -6.942 -9.592 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.326 -7.998 -9.929 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.590 -6.331 -9.366 1.00 0.00 H new ATOM 1357 N ASP A 95 -13.730 -6.957 -7.439 1.00 0.00 N ATOM 1358 CA ASP A 95 -15.037 -7.230 -6.846 1.00 0.00 C ATOM 1359 C ASP A 95 -15.171 -6.513 -5.500 1.00 0.00 C ATOM 1360 O ASP A 95 -15.878 -6.971 -4.603 1.00 0.00 O ATOM 1361 CB ASP A 95 -15.235 -8.756 -6.677 1.00 0.00 C ATOM 1362 CG ASP A 95 -15.835 -9.355 -7.956 1.00 0.00 C ATOM 1363 OD1 ASP A 95 -15.287 -9.110 -9.017 1.00 0.00 O ATOM 1364 OD2 ASP A 95 -16.838 -10.042 -7.847 1.00 0.00 O ATOM 0 H ASP A 95 -13.764 -6.571 -8.382 1.00 0.00 H new ATOM 0 HA ASP A 95 -15.813 -6.852 -7.512 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -14.280 -9.232 -6.457 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -15.893 -8.954 -5.830 1.00 0.00 H new ATOM 1369 N GLY A 96 -14.509 -5.368 -5.381 1.00 0.00 N ATOM 1370 CA GLY A 96 -14.574 -4.571 -4.164 1.00 0.00 C ATOM 1371 C GLY A 96 -13.526 -4.962 -3.138 1.00 0.00 C ATOM 1372 O GLY A 96 -13.577 -4.516 -1.991 1.00 0.00 O ATOM 0 H GLY A 96 -13.921 -4.971 -6.114 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -14.449 -3.519 -4.419 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -15.564 -4.676 -3.721 1.00 0.00 H new ATOM 1376 N THR A 97 -12.571 -5.800 -3.545 1.00 0.00 N ATOM 1377 CA THR A 97 -11.501 -6.250 -2.643 1.00 0.00 C ATOM 1378 C THR A 97 -10.153 -5.738 -3.136 1.00 0.00 C ATOM 1379 O THR A 97 -9.943 -5.585 -4.333 1.00 0.00 O ATOM 1380 CB THR A 97 -11.438 -7.789 -2.580 1.00 0.00 C ATOM 1381 OG1 THR A 97 -11.030 -8.297 -3.842 1.00 0.00 O ATOM 1382 CG2 THR A 97 -12.816 -8.350 -2.224 1.00 0.00 C ATOM 0 H THR A 97 -12.514 -6.182 -4.489 1.00 0.00 H new ATOM 0 HA THR A 97 -11.720 -5.856 -1.651 1.00 0.00 H new ATOM 0 HB THR A 97 -10.721 -8.089 -1.816 1.00 0.00 H new ATOM 0 HG1 THR A 97 -11.817 -8.436 -4.409 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.766 -9.438 -2.181 1.00 0.00 H new ATOM 0 HG22 THR A 97 -13.127 -7.962 -1.254 1.00 0.00 H new ATOM 0 HG23 THR A 97 -13.538 -8.050 -2.983 1.00 0.00 H new ATOM 1390 N LEU A 98 -9.236 -5.478 -2.209 1.00 0.00 N ATOM 1391 CA LEU A 98 -7.907 -4.990 -2.580 1.00 0.00 C ATOM 1392 C LEU A 98 -6.993 -6.162 -2.912 1.00 0.00 C ATOM 1393 O LEU A 98 -6.953 -7.156 -2.186 1.00 0.00 O ATOM 1394 CB LEU A 98 -7.302 -4.177 -1.434 1.00 0.00 C ATOM 1395 CG LEU A 98 -8.262 -3.053 -1.016 1.00 0.00 C ATOM 1396 CD1 LEU A 98 -7.651 -2.288 0.163 1.00 0.00 C ATOM 1397 CD2 LEU A 98 -8.497 -2.086 -2.196 1.00 0.00 C ATOM 0 H LEU A 98 -9.383 -5.594 -1.206 1.00 0.00 H new ATOM 0 HA LEU A 98 -8.005 -4.351 -3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.101 -4.828 -0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.347 -3.753 -1.744 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.219 -3.485 -0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.326 -1.488 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.498 -2.970 0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.694 -1.861 -0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.179 -1.294 -1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.547 -1.648 -2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.931 -2.632 -3.033 1.00 0.00 H new ATOM 1409 N LYS A 99 -6.264 -6.042 -4.018 1.00 0.00 N ATOM 1410 CA LYS A 99 -5.353 -7.102 -4.449 1.00 0.00 C ATOM 1411 C LYS A 99 -4.249 -6.514 -5.333 1.00 0.00 C ATOM 1412 O LYS A 99 -4.479 -5.575 -6.096 1.00 0.00 O ATOM 1413 CB LYS A 99 -6.160 -8.194 -5.216 1.00 0.00 C ATOM 1414 CG LYS A 99 -6.185 -9.528 -4.434 1.00 0.00 C ATOM 1415 CD LYS A 99 -7.305 -10.450 -4.976 1.00 0.00 C ATOM 1416 CE LYS A 99 -8.629 -10.170 -4.247 1.00 0.00 C ATOM 1417 NZ LYS A 99 -8.594 -10.813 -2.903 1.00 0.00 N ATOM 0 H LYS A 99 -6.285 -5.227 -4.630 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.882 -7.561 -3.580 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.180 -7.847 -5.380 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.716 -8.354 -6.198 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.220 -10.027 -4.522 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.347 -9.333 -3.374 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.431 -10.289 -6.047 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.022 -11.494 -4.842 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.782 -9.096 -4.145 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.466 -10.558 -4.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.551 -10.819 -2.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.250 -11.790 -2.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.956 -10.279 -2.279 1.00 0.00 H new ATOM 1431 N TYR A 100 -3.051 -7.077 -5.210 1.00 0.00 N ATOM 1432 CA TYR A 100 -1.899 -6.620 -5.985 1.00 0.00 C ATOM 1433 C TYR A 100 -1.908 -7.250 -7.376 1.00 0.00 C ATOM 1434 O TYR A 100 -2.155 -8.448 -7.524 1.00 0.00 O ATOM 1435 CB TYR A 100 -0.613 -7.003 -5.244 1.00 0.00 C ATOM 1436 CG TYR A 100 0.603 -6.677 -6.083 1.00 0.00 C ATOM 1437 CD1 TYR A 100 1.122 -7.638 -6.976 1.00 0.00 C ATOM 1438 CD2 TYR A 100 1.231 -5.419 -5.961 1.00 0.00 C ATOM 1439 CE1 TYR A 100 2.265 -7.339 -7.750 1.00 0.00 C ATOM 1440 CE2 TYR A 100 2.377 -5.124 -6.730 1.00 0.00 C ATOM 1441 CZ TYR A 100 2.892 -6.081 -7.626 1.00 0.00 C ATOM 1442 OH TYR A 100 4.088 -5.840 -8.272 1.00 0.00 O ATOM 0 H TYR A 100 -2.851 -7.853 -4.579 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.949 -5.537 -6.099 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.561 -6.469 -4.295 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.625 -8.068 -5.010 1.00 0.00 H new ATOM 0 HD1 TYR A 100 0.645 -8.603 -7.068 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.834 -4.682 -5.279 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.659 -8.073 -8.437 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.860 -4.163 -6.631 1.00 0.00 H new ATOM 0 HH TYR A 100 4.383 -4.925 -8.083 1.00 0.00 H new ATOM 1452 N GLU A 101 -1.626 -6.436 -8.394 1.00 0.00 N ATOM 1453 CA GLU A 101 -1.590 -6.916 -9.780 1.00 0.00 C ATOM 1454 C GLU A 101 -0.141 -7.094 -10.232 1.00 0.00 C ATOM 1455 O GLU A 101 0.310 -8.226 -10.270 1.00 0.00 O ATOM 1456 CB GLU A 101 -2.299 -5.910 -10.704 1.00 0.00 C ATOM 1457 CG GLU A 101 -3.831 -6.037 -10.565 1.00 0.00 C ATOM 1458 CD GLU A 101 -4.344 -7.201 -11.424 1.00 0.00 C ATOM 1459 OE1 GLU A 101 -3.576 -8.116 -11.673 1.00 0.00 O ATOM 1460 OE2 GLU A 101 -5.495 -7.151 -11.825 1.00 0.00 O ATOM 1461 OXT GLU A 101 0.456 -6.109 -10.635 1.00 0.00 O ATOM 0 H GLU A 101 -1.419 -5.443 -8.287 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.104 -7.876 -9.834 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.988 -4.896 -10.454 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.006 -6.088 -11.739 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -4.097 -6.201 -9.521 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.310 -5.108 -10.874 1.00 0.00 H new TER 1468 GLU A 101