USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 609 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 SER OG : rot 180:sc= 0.0986 USER MOD Set 1.2: A 78 SER OG : rot -110:sc= 0.0692 USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.0354 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.16) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.189 K(o=-0.19,f=-3.1!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 150:sc=-0.00833 USER MOD Single : A 21 MET CE :methyl -157:sc= -0.344 (180deg=-1.56) USER MOD Single : A 23 LYS NZ :NH3+ 154:sc= 0.275 (180deg=0.0399) USER MOD Single : A 26 SER OG : rot -51:sc= 1.11 USER MOD Single : A 27 CYS SG : rot -85:sc= -3.94! USER MOD Single : A 28 GLN : amide:sc= 0.433 X(o=0.43,f=0) USER MOD Single : A 29 THR OG1 : rot -45:sc= 0.306 USER MOD Single : A 39 TYR OH : rot 49:sc= 0.889 USER MOD Single : A 40 TYR OH : rot 15:sc= 1.28 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -151:sc= 0.665 (180deg=-0.338) USER MOD Single : A 52 THR OG1 : rot 158:sc= 0.215 USER MOD Single : A 56 SER OG : rot -150:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.545 6.575 10.049 1.00 0.00 N ATOM 2 CA GLY A 1 22.256 6.720 9.324 1.00 0.00 C ATOM 3 C GLY A 1 21.278 5.598 9.648 1.00 0.00 C ATOM 4 O GLY A 1 21.385 4.942 10.686 1.00 0.00 O ATOM 0 H1 GLY A 1 23.860 7.507 10.387 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.417 5.937 10.860 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.262 6.180 9.407 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.804 7.678 9.581 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.446 6.734 8.251 1.00 0.00 H new ATOM 10 N SER A 2 20.302 5.381 8.766 1.00 0.00 N ATOM 11 CA SER A 2 19.269 4.339 8.890 1.00 0.00 C ATOM 12 C SER A 2 19.824 2.897 8.888 1.00 0.00 C ATOM 13 O SER A 2 20.809 2.587 8.209 1.00 0.00 O ATOM 14 CB SER A 2 18.227 4.506 7.771 1.00 0.00 C ATOM 15 OG SER A 2 18.812 4.559 6.476 1.00 0.00 O ATOM 0 H SER A 2 20.201 5.939 7.918 1.00 0.00 H new ATOM 0 HA SER A 2 18.808 4.480 9.868 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.521 3.677 7.812 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.657 5.419 7.945 1.00 0.00 H new ATOM 0 HG SER A 2 18.108 4.664 5.803 1.00 0.00 H new ATOM 21 N HIS A 3 19.165 1.998 9.624 1.00 0.00 N ATOM 22 CA HIS A 3 19.443 0.554 9.625 1.00 0.00 C ATOM 23 C HIS A 3 19.180 -0.116 8.252 1.00 0.00 C ATOM 24 O HIS A 3 18.425 0.408 7.428 1.00 0.00 O ATOM 25 CB HIS A 3 18.580 -0.077 10.732 1.00 0.00 C ATOM 26 CG HIS A 3 18.842 -1.544 10.958 1.00 0.00 C ATOM 27 ND1 HIS A 3 17.961 -2.586 10.648 1.00 0.00 N ATOM 28 CD2 HIS A 3 20.000 -2.071 11.446 1.00 0.00 C ATOM 29 CE1 HIS A 3 18.613 -3.719 10.968 1.00 0.00 C ATOM 30 NE2 HIS A 3 19.837 -3.438 11.447 1.00 0.00 N ATOM 0 H HIS A 3 18.404 2.258 10.252 1.00 0.00 H new ATOM 0 HA HIS A 3 20.504 0.393 9.818 1.00 0.00 H new ATOM 0 HB2 HIS A 3 18.755 0.460 11.664 1.00 0.00 H new ATOM 0 HB3 HIS A 3 17.528 0.058 10.479 1.00 0.00 H new ATOM 0 HD2 HIS A 3 20.874 -1.524 11.768 1.00 0.00 H new ATOM 0 HE1 HIS A 3 18.209 -4.714 10.856 1.00 0.00 H new ATOM 0 HE2 HIS A 3 20.527 -4.121 11.758 1.00 0.00 H new ATOM 38 N MET A 4 19.762 -1.301 8.024 1.00 0.00 N ATOM 39 CA MET A 4 19.504 -2.165 6.857 1.00 0.00 C ATOM 40 C MET A 4 19.357 -3.639 7.269 1.00 0.00 C ATOM 41 O MET A 4 20.154 -4.165 8.049 1.00 0.00 O ATOM 42 CB MET A 4 20.628 -2.044 5.813 1.00 0.00 C ATOM 43 CG MET A 4 20.797 -0.625 5.257 1.00 0.00 C ATOM 44 SD MET A 4 21.928 -0.527 3.836 1.00 0.00 S ATOM 45 CE MET A 4 21.733 1.237 3.448 1.00 0.00 C ATOM 0 H MET A 4 20.448 -1.700 8.665 1.00 0.00 H new ATOM 0 HA MET A 4 18.567 -1.825 6.416 1.00 0.00 H new ATOM 0 HB2 MET A 4 21.568 -2.363 6.264 1.00 0.00 H new ATOM 0 HB3 MET A 4 20.422 -2.727 4.988 1.00 0.00 H new ATOM 0 HG2 MET A 4 19.821 -0.242 4.960 1.00 0.00 H new ATOM 0 HG3 MET A 4 21.167 0.025 6.050 1.00 0.00 H new ATOM 0 HE1 MET A 4 22.357 1.492 2.592 1.00 0.00 H new ATOM 0 HE2 MET A 4 20.690 1.444 3.211 1.00 0.00 H new ATOM 0 HE3 MET A 4 22.035 1.834 4.308 1.00 0.00 H new ATOM 55 N LEU A 5 18.339 -4.308 6.723 1.00 0.00 N ATOM 56 CA LEU A 5 17.956 -5.687 7.090 1.00 0.00 C ATOM 57 C LEU A 5 18.935 -6.780 6.605 1.00 0.00 C ATOM 58 O LEU A 5 19.050 -7.835 7.238 1.00 0.00 O ATOM 59 CB LEU A 5 16.543 -5.943 6.579 1.00 0.00 C ATOM 60 CG LEU A 5 15.488 -5.049 7.264 1.00 0.00 C ATOM 61 CD1 LEU A 5 14.147 -5.508 6.731 1.00 0.00 C ATOM 62 CD2 LEU A 5 15.439 -5.159 8.789 1.00 0.00 C ATOM 0 H LEU A 5 17.743 -3.906 6.000 1.00 0.00 H new ATOM 0 HA LEU A 5 17.998 -5.757 8.177 1.00 0.00 H new ATOM 0 HB2 LEU A 5 16.514 -5.772 5.503 1.00 0.00 H new ATOM 0 HB3 LEU A 5 16.287 -6.990 6.742 1.00 0.00 H new ATOM 0 HG LEU A 5 15.742 -4.012 7.046 1.00 0.00 H new ATOM 0 HD11 LEU A 5 13.353 -4.911 7.180 1.00 0.00 H new ATOM 0 HD12 LEU A 5 14.125 -5.386 5.648 1.00 0.00 H new ATOM 0 HD13 LEU A 5 13.996 -6.558 6.981 1.00 0.00 H new ATOM 0 HD21 LEU A 5 14.668 -4.494 9.177 1.00 0.00 H new ATOM 0 HD22 LEU A 5 15.209 -6.186 9.073 1.00 0.00 H new ATOM 0 HD23 LEU A 5 16.406 -4.876 9.205 1.00 0.00 H new ATOM 74 N LEU A 6 19.643 -6.528 5.498 1.00 0.00 N ATOM 75 CA LEU A 6 20.513 -7.504 4.812 1.00 0.00 C ATOM 76 C LEU A 6 21.840 -6.903 4.279 1.00 0.00 C ATOM 77 O LEU A 6 22.638 -7.610 3.669 1.00 0.00 O ATOM 78 CB LEU A 6 19.652 -8.144 3.694 1.00 0.00 C ATOM 79 CG LEU A 6 20.211 -9.401 2.991 1.00 0.00 C ATOM 80 CD1 LEU A 6 20.561 -10.523 3.968 1.00 0.00 C ATOM 81 CD2 LEU A 6 19.174 -9.941 2.009 1.00 0.00 C ATOM 0 H LEU A 6 19.630 -5.617 5.039 1.00 0.00 H new ATOM 0 HA LEU A 6 20.856 -8.256 5.523 1.00 0.00 H new ATOM 0 HB2 LEU A 6 18.683 -8.401 4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 6 19.472 -7.385 2.932 1.00 0.00 H new ATOM 0 HG LEU A 6 21.125 -9.092 2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 6 20.948 -11.379 3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 6 21.317 -10.172 4.670 1.00 0.00 H new ATOM 0 HD13 LEU A 6 19.667 -10.820 4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 6 19.569 -10.828 1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 6 18.264 -10.202 2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 6 18.948 -9.179 1.263 1.00 0.00 H new ATOM 93 N GLU A 7 22.091 -5.601 4.508 1.00 0.00 N ATOM 94 CA GLU A 7 23.196 -4.812 3.898 1.00 0.00 C ATOM 95 C GLU A 7 23.227 -4.869 2.359 1.00 0.00 C ATOM 96 O GLU A 7 24.283 -4.854 1.728 1.00 0.00 O ATOM 97 CB GLU A 7 24.545 -5.174 4.553 1.00 0.00 C ATOM 98 CG GLU A 7 25.546 -4.020 4.529 1.00 0.00 C ATOM 99 CD GLU A 7 26.833 -4.432 5.225 1.00 0.00 C ATOM 100 OE1 GLU A 7 27.735 -4.971 4.542 1.00 0.00 O ATOM 101 OE2 GLU A 7 26.955 -4.201 6.450 1.00 0.00 O ATOM 0 H GLU A 7 21.517 -5.045 5.141 1.00 0.00 H new ATOM 0 HA GLU A 7 22.997 -3.762 4.114 1.00 0.00 H new ATOM 0 HB2 GLU A 7 24.372 -5.477 5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 7 24.975 -6.032 4.037 1.00 0.00 H new ATOM 0 HG2 GLU A 7 25.756 -3.732 3.499 1.00 0.00 H new ATOM 0 HG3 GLU A 7 25.119 -3.147 5.023 1.00 0.00 H new ATOM 108 N PHE A 8 22.038 -4.921 1.756 1.00 0.00 N ATOM 109 CA PHE A 8 21.792 -4.868 0.309 1.00 0.00 C ATOM 110 C PHE A 8 20.604 -3.941 -0.022 1.00 0.00 C ATOM 111 O PHE A 8 19.566 -3.975 0.638 1.00 0.00 O ATOM 112 CB PHE A 8 21.557 -6.284 -0.249 1.00 0.00 C ATOM 113 CG PHE A 8 22.826 -7.042 -0.597 1.00 0.00 C ATOM 114 CD1 PHE A 8 23.517 -6.735 -1.787 1.00 0.00 C ATOM 115 CD2 PHE A 8 23.314 -8.056 0.251 1.00 0.00 C ATOM 116 CE1 PHE A 8 24.683 -7.442 -2.122 1.00 0.00 C ATOM 117 CE2 PHE A 8 24.485 -8.762 -0.087 1.00 0.00 C ATOM 118 CZ PHE A 8 25.169 -8.455 -1.276 1.00 0.00 C ATOM 0 H PHE A 8 21.173 -5.006 2.290 1.00 0.00 H new ATOM 0 HA PHE A 8 22.678 -4.452 -0.170 1.00 0.00 H new ATOM 0 HB2 PHE A 8 20.994 -6.861 0.484 1.00 0.00 H new ATOM 0 HB3 PHE A 8 20.936 -6.211 -1.142 1.00 0.00 H new ATOM 0 HD1 PHE A 8 23.150 -5.957 -2.440 1.00 0.00 H new ATOM 0 HD2 PHE A 8 22.788 -8.293 1.164 1.00 0.00 H new ATOM 0 HE1 PHE A 8 25.210 -7.206 -3.035 1.00 0.00 H new ATOM 0 HE2 PHE A 8 24.857 -9.538 0.566 1.00 0.00 H new ATOM 0 HZ PHE A 8 26.066 -8.996 -1.539 1.00 0.00 H new ATOM 128 N LYS A 9 20.761 -3.119 -1.060 1.00 0.00 N ATOM 129 CA LYS A 9 19.980 -1.905 -1.357 1.00 0.00 C ATOM 130 C LYS A 9 18.464 -2.098 -1.503 1.00 0.00 C ATOM 131 O LYS A 9 17.700 -1.179 -1.247 1.00 0.00 O ATOM 132 CB LYS A 9 20.588 -1.268 -2.625 1.00 0.00 C ATOM 133 CG LYS A 9 20.025 0.118 -2.986 1.00 0.00 C ATOM 134 CD LYS A 9 20.647 0.705 -4.264 1.00 0.00 C ATOM 135 CE LYS A 9 22.147 1.017 -4.110 1.00 0.00 C ATOM 136 NZ LYS A 9 22.715 1.594 -5.347 1.00 0.00 N ATOM 0 H LYS A 9 21.480 -3.289 -1.763 1.00 0.00 H new ATOM 0 HA LYS A 9 20.057 -1.252 -0.488 1.00 0.00 H new ATOM 0 HB2 LYS A 9 21.666 -1.182 -2.490 1.00 0.00 H new ATOM 0 HB3 LYS A 9 20.425 -1.941 -3.467 1.00 0.00 H new ATOM 0 HG2 LYS A 9 18.945 0.043 -3.115 1.00 0.00 H new ATOM 0 HG3 LYS A 9 20.200 0.803 -2.156 1.00 0.00 H new ATOM 0 HD2 LYS A 9 20.510 0.002 -5.085 1.00 0.00 H new ATOM 0 HD3 LYS A 9 20.117 1.618 -4.534 1.00 0.00 H new ATOM 0 HE2 LYS A 9 22.291 1.714 -3.284 1.00 0.00 H new ATOM 0 HE3 LYS A 9 22.684 0.104 -3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 23.726 1.791 -5.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 22.600 0.919 -6.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 22.219 2.479 -5.577 1.00 0.00 H new ATOM 150 N GLN A 10 17.997 -3.247 -1.977 1.00 0.00 N ATOM 151 CA GLN A 10 16.592 -3.527 -2.293 1.00 0.00 C ATOM 152 C GLN A 10 15.700 -3.736 -1.118 1.00 0.00 C ATOM 153 O GLN A 10 14.488 -3.745 -1.298 1.00 0.00 O ATOM 154 CB GLN A 10 16.447 -4.755 -3.199 1.00 0.00 C ATOM 155 CG GLN A 10 17.299 -4.565 -4.447 1.00 0.00 C ATOM 156 CD GLN A 10 18.734 -5.050 -4.351 1.00 0.00 C ATOM 157 OE1 GLN A 10 19.194 -5.568 -3.339 1.00 0.00 O ATOM 158 NE2 GLN A 10 19.494 -4.889 -5.409 1.00 0.00 N ATOM 0 H GLN A 10 18.607 -4.044 -2.161 1.00 0.00 H new ATOM 0 HA GLN A 10 16.271 -2.615 -2.795 1.00 0.00 H new ATOM 0 HB2 GLN A 10 16.758 -5.653 -2.666 1.00 0.00 H new ATOM 0 HB3 GLN A 10 15.402 -4.895 -3.476 1.00 0.00 H new ATOM 0 HG2 GLN A 10 16.816 -5.083 -5.275 1.00 0.00 H new ATOM 0 HG3 GLN A 10 17.311 -3.504 -4.697 1.00 0.00 H new ATOM 0 HE21 GLN A 10 19.112 -4.458 -6.251 1.00 0.00 H new ATOM 0 HE22 GLN A 10 20.467 -5.195 -5.389 1.00 0.00 H new ATOM 167 N PHE A 11 16.267 -3.863 0.074 1.00 0.00 N ATOM 168 CA PHE A 11 15.442 -4.276 1.194 1.00 0.00 C ATOM 169 C PHE A 11 14.280 -3.308 1.422 1.00 0.00 C ATOM 170 O PHE A 11 13.175 -3.703 1.797 1.00 0.00 O ATOM 171 CB PHE A 11 16.270 -4.333 2.476 1.00 0.00 C ATOM 172 CG PHE A 11 16.630 -2.999 3.115 1.00 0.00 C ATOM 173 CD1 PHE A 11 17.527 -2.121 2.477 1.00 0.00 C ATOM 174 CD2 PHE A 11 16.024 -2.601 4.325 1.00 0.00 C ATOM 175 CE1 PHE A 11 17.822 -0.869 3.034 1.00 0.00 C ATOM 176 CE2 PHE A 11 16.329 -1.353 4.893 1.00 0.00 C ATOM 177 CZ PHE A 11 17.232 -0.486 4.253 1.00 0.00 C ATOM 0 H PHE A 11 17.251 -3.694 0.284 1.00 0.00 H new ATOM 0 HA PHE A 11 15.048 -5.263 0.951 1.00 0.00 H new ATOM 0 HB2 PHE A 11 15.722 -4.925 3.209 1.00 0.00 H new ATOM 0 HB3 PHE A 11 17.195 -4.868 2.261 1.00 0.00 H new ATOM 0 HD1 PHE A 11 17.993 -2.415 1.548 1.00 0.00 H new ATOM 0 HD2 PHE A 11 15.323 -3.259 4.817 1.00 0.00 H new ATOM 0 HE1 PHE A 11 18.501 -0.199 2.528 1.00 0.00 H new ATOM 0 HE2 PHE A 11 15.868 -1.059 5.824 1.00 0.00 H new ATOM 0 HZ PHE A 11 17.472 0.470 4.695 1.00 0.00 H new ATOM 187 N LEU A 12 14.574 -2.042 1.122 1.00 0.00 N ATOM 188 CA LEU A 12 13.695 -0.903 1.221 1.00 0.00 C ATOM 189 C LEU A 12 12.711 -0.662 0.074 1.00 0.00 C ATOM 190 O LEU A 12 11.726 0.072 0.182 1.00 0.00 O ATOM 191 CB LEU A 12 14.441 0.262 1.838 1.00 0.00 C ATOM 192 CG LEU A 12 15.117 1.368 1.041 1.00 0.00 C ATOM 193 CD1 LEU A 12 16.073 0.739 0.077 1.00 0.00 C ATOM 194 CD2 LEU A 12 14.118 2.257 0.325 1.00 0.00 C ATOM 0 H LEU A 12 15.499 -1.780 0.781 1.00 0.00 H new ATOM 0 HA LEU A 12 12.902 -1.139 1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 12 13.733 0.757 2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 12 15.216 -0.175 2.468 1.00 0.00 H new ATOM 0 HG LEU A 12 15.656 2.020 1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 12 16.568 1.517 -0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 12 16.820 0.166 0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 12 15.529 0.075 -0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 12 14.651 3.030 -0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.527 1.657 -0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.458 2.724 1.056 1.00 0.00 H new ATOM 206 N TYR A 13 13.077 -1.229 -1.060 1.00 0.00 N ATOM 207 CA TYR A 13 12.326 -1.289 -2.312 1.00 0.00 C ATOM 208 C TYR A 13 11.446 -2.557 -2.476 1.00 0.00 C ATOM 209 O TYR A 13 10.435 -2.509 -3.181 1.00 0.00 O ATOM 210 CB TYR A 13 13.356 -1.144 -3.445 1.00 0.00 C ATOM 211 CG TYR A 13 14.067 0.205 -3.436 1.00 0.00 C ATOM 212 CD1 TYR A 13 13.331 1.393 -3.244 1.00 0.00 C ATOM 213 CD2 TYR A 13 15.471 0.277 -3.512 1.00 0.00 C ATOM 214 CE1 TYR A 13 13.985 2.619 -3.050 1.00 0.00 C ATOM 215 CE2 TYR A 13 16.125 1.515 -3.367 1.00 0.00 C ATOM 216 CZ TYR A 13 15.385 2.680 -3.119 1.00 0.00 C ATOM 217 OH TYR A 13 16.038 3.864 -2.954 1.00 0.00 O ATOM 0 H TYR A 13 13.979 -1.699 -1.142 1.00 0.00 H new ATOM 0 HA TYR A 13 11.595 -0.481 -2.329 1.00 0.00 H new ATOM 0 HB2 TYR A 13 14.097 -1.939 -3.359 1.00 0.00 H new ATOM 0 HB3 TYR A 13 12.855 -1.278 -4.404 1.00 0.00 H new ATOM 0 HD1 TYR A 13 12.252 1.358 -3.246 1.00 0.00 H new ATOM 0 HD2 TYR A 13 16.048 -0.620 -3.682 1.00 0.00 H new ATOM 0 HE1 TYR A 13 13.413 3.513 -2.848 1.00 0.00 H new ATOM 0 HE2 TYR A 13 17.201 1.568 -3.447 1.00 0.00 H new ATOM 0 HH TYR A 13 17.004 3.719 -3.032 1.00 0.00 H new ATOM 227 N GLU A 14 11.737 -3.674 -1.779 1.00 0.00 N ATOM 228 CA GLU A 14 10.771 -4.789 -1.539 1.00 0.00 C ATOM 229 C GLU A 14 9.729 -4.413 -0.494 1.00 0.00 C ATOM 230 O GLU A 14 8.545 -4.718 -0.632 1.00 0.00 O ATOM 231 CB GLU A 14 11.428 -6.076 -1.043 1.00 0.00 C ATOM 232 CG GLU A 14 12.556 -6.564 -1.932 1.00 0.00 C ATOM 233 CD GLU A 14 13.004 -7.957 -1.503 1.00 0.00 C ATOM 234 OE1 GLU A 14 13.878 -8.057 -0.613 1.00 0.00 O ATOM 235 OE2 GLU A 14 12.478 -8.947 -2.063 1.00 0.00 O ATOM 0 H GLU A 14 12.652 -3.838 -1.360 1.00 0.00 H new ATOM 0 HA GLU A 14 10.320 -4.962 -2.516 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.814 -5.912 -0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.670 -6.856 -0.970 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.226 -6.585 -2.971 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.396 -5.872 -1.878 1.00 0.00 H new ATOM 242 N ALA A 15 10.186 -3.686 0.527 1.00 0.00 N ATOM 243 CA ALA A 15 9.411 -3.136 1.641 1.00 0.00 C ATOM 244 C ALA A 15 8.074 -2.495 1.222 1.00 0.00 C ATOM 245 O ALA A 15 7.030 -2.617 1.864 1.00 0.00 O ATOM 246 CB ALA A 15 10.260 -2.017 2.241 1.00 0.00 C ATOM 0 H ALA A 15 11.175 -3.450 0.603 1.00 0.00 H new ATOM 0 HA ALA A 15 9.180 -3.957 2.320 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.729 -1.568 3.080 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.209 -2.426 2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.449 -1.257 1.483 1.00 0.00 H new ATOM 252 N SER A 16 8.154 -1.821 0.079 1.00 0.00 N ATOM 253 CA SER A 16 7.127 -1.028 -0.576 1.00 0.00 C ATOM 254 C SER A 16 5.847 -1.820 -0.924 1.00 0.00 C ATOM 255 O SER A 16 4.747 -1.273 -0.977 1.00 0.00 O ATOM 256 CB SER A 16 7.800 -0.567 -1.866 1.00 0.00 C ATOM 257 OG SER A 16 8.608 0.580 -1.704 1.00 0.00 O ATOM 0 H SER A 16 9.020 -1.818 -0.459 1.00 0.00 H new ATOM 0 HA SER A 16 6.789 -0.227 0.081 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.412 -1.380 -2.257 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.033 -0.358 -2.612 1.00 0.00 H new ATOM 0 HG SER A 16 9.344 0.555 -2.350 1.00 0.00 H new ATOM 263 N ILE A 17 5.991 -3.130 -1.154 1.00 0.00 N ATOM 264 CA ILE A 17 4.965 -4.080 -1.636 1.00 0.00 C ATOM 265 C ILE A 17 4.686 -5.196 -0.575 1.00 0.00 C ATOM 266 O ILE A 17 3.806 -6.045 -0.736 1.00 0.00 O ATOM 267 CB ILE A 17 5.447 -4.600 -3.029 1.00 0.00 C ATOM 268 CG1 ILE A 17 5.127 -3.622 -4.191 1.00 0.00 C ATOM 269 CG2 ILE A 17 4.901 -5.979 -3.451 1.00 0.00 C ATOM 270 CD1 ILE A 17 5.940 -2.331 -4.192 1.00 0.00 C ATOM 0 H ILE A 17 6.887 -3.593 -1.000 1.00 0.00 H new ATOM 0 HA ILE A 17 3.993 -3.604 -1.769 1.00 0.00 H new ATOM 0 HB ILE A 17 6.522 -4.685 -2.867 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.293 -4.139 -5.136 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.068 -3.366 -4.149 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.298 -6.243 -4.431 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.206 -6.730 -2.722 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.813 -5.940 -3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.644 -1.715 -5.041 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.757 -1.785 -3.266 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.001 -2.569 -4.269 1.00 0.00 H new ATOM 282 N ASP A 18 5.405 -5.154 0.550 1.00 0.00 N ATOM 283 CA ASP A 18 5.521 -6.223 1.566 1.00 0.00 C ATOM 284 C ASP A 18 4.308 -6.316 2.509 1.00 0.00 C ATOM 285 O ASP A 18 4.039 -7.378 3.073 1.00 0.00 O ATOM 286 CB ASP A 18 6.811 -6.011 2.380 1.00 0.00 C ATOM 287 CG ASP A 18 7.128 -7.158 3.365 1.00 0.00 C ATOM 288 OD1 ASP A 18 7.493 -8.270 2.907 1.00 0.00 O ATOM 289 OD2 ASP A 18 7.036 -6.943 4.601 1.00 0.00 O ATOM 0 H ASP A 18 5.955 -4.331 0.797 1.00 0.00 H new ATOM 0 HA ASP A 18 5.555 -7.170 1.028 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.648 -5.895 1.691 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.727 -5.079 2.939 1.00 0.00 H new ATOM 294 N GLU A 19 3.546 -5.223 2.628 1.00 0.00 N ATOM 295 CA GLU A 19 2.277 -5.146 3.376 1.00 0.00 C ATOM 296 C GLU A 19 1.154 -4.578 2.518 1.00 0.00 C ATOM 297 O GLU A 19 0.195 -5.300 2.264 1.00 0.00 O ATOM 298 CB GLU A 19 2.412 -4.328 4.673 1.00 0.00 C ATOM 299 CG GLU A 19 3.385 -4.963 5.670 1.00 0.00 C ATOM 300 CD GLU A 19 3.379 -4.195 6.983 1.00 0.00 C ATOM 301 OE1 GLU A 19 2.552 -4.523 7.858 1.00 0.00 O ATOM 302 OE2 GLU A 19 4.203 -3.270 7.144 1.00 0.00 O ATOM 0 H GLU A 19 3.800 -4.336 2.193 1.00 0.00 H new ATOM 0 HA GLU A 19 2.024 -6.170 3.650 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.752 -3.321 4.430 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.432 -4.229 5.140 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.106 -6.002 5.848 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.391 -4.970 5.251 1.00 0.00 H new ATOM 309 N PHE A 20 1.293 -3.351 2.004 1.00 0.00 N ATOM 310 CA PHE A 20 0.168 -2.608 1.405 1.00 0.00 C ATOM 311 C PHE A 20 -0.502 -3.362 0.258 1.00 0.00 C ATOM 312 O PHE A 20 -1.711 -3.516 0.287 1.00 0.00 O ATOM 313 CB PHE A 20 0.655 -1.298 0.758 1.00 0.00 C ATOM 314 CG PHE A 20 1.222 -0.235 1.668 1.00 0.00 C ATOM 315 CD1 PHE A 20 2.585 -0.259 2.027 1.00 0.00 C ATOM 316 CD2 PHE A 20 0.415 0.852 2.055 1.00 0.00 C ATOM 317 CE1 PHE A 20 3.133 0.795 2.776 1.00 0.00 C ATOM 318 CE2 PHE A 20 0.965 1.906 2.804 1.00 0.00 C ATOM 319 CZ PHE A 20 2.321 1.873 3.170 1.00 0.00 C ATOM 0 H PHE A 20 2.178 -2.845 1.989 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.524 -2.449 2.232 1.00 0.00 H new ATOM 0 HB2 PHE A 20 1.418 -1.551 0.022 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.182 -0.862 0.213 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.208 -1.088 1.726 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.628 0.876 1.776 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.178 0.777 3.049 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.346 2.741 3.098 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.741 2.678 3.755 1.00 0.00 H new ATOM 329 N MET A 21 0.248 -3.895 -0.700 1.00 0.00 N ATOM 330 CA MET A 21 -0.278 -4.553 -1.912 1.00 0.00 C ATOM 331 C MET A 21 -1.188 -5.733 -1.608 1.00 0.00 C ATOM 332 O MET A 21 -2.210 -5.911 -2.263 1.00 0.00 O ATOM 333 CB MET A 21 0.866 -5.085 -2.786 1.00 0.00 C ATOM 334 CG MET A 21 1.449 -3.996 -3.670 1.00 0.00 C ATOM 335 SD MET A 21 0.352 -3.233 -4.903 1.00 0.00 S ATOM 336 CE MET A 21 -0.557 -4.664 -5.556 1.00 0.00 C ATOM 0 H MET A 21 1.267 -3.886 -0.663 1.00 0.00 H new ATOM 0 HA MET A 21 -0.852 -3.782 -2.426 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.650 -5.496 -2.150 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.500 -5.902 -3.408 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.828 -3.205 -3.023 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.306 -4.415 -4.197 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.937 -4.430 -6.550 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.111 -5.523 -5.616 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.391 -4.898 -4.894 1.00 0.00 H new ATOM 346 N GLY A 22 -0.868 -6.508 -0.576 1.00 0.00 N ATOM 347 CA GLY A 22 -1.752 -7.516 -0.032 1.00 0.00 C ATOM 348 C GLY A 22 -2.907 -6.906 0.740 1.00 0.00 C ATOM 349 O GLY A 22 -4.022 -7.407 0.659 1.00 0.00 O ATOM 0 H GLY A 22 0.028 -6.447 -0.092 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.143 -8.130 -0.843 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.187 -8.177 0.625 1.00 0.00 H new ATOM 353 N LYS A 23 -2.678 -5.837 1.502 1.00 0.00 N ATOM 354 CA LYS A 23 -3.661 -5.179 2.319 1.00 0.00 C ATOM 355 C LYS A 23 -4.805 -4.639 1.431 1.00 0.00 C ATOM 356 O LYS A 23 -5.976 -4.840 1.726 1.00 0.00 O ATOM 357 CB LYS A 23 -2.908 -4.250 3.279 1.00 0.00 C ATOM 358 CG LYS A 23 -3.159 -2.788 3.098 1.00 0.00 C ATOM 359 CD LYS A 23 -2.439 -1.979 4.189 1.00 0.00 C ATOM 360 CE LYS A 23 -3.016 -2.245 5.582 1.00 0.00 C ATOM 361 NZ LYS A 23 -2.272 -1.566 6.669 1.00 0.00 N ATOM 0 H LYS A 23 -1.759 -5.398 1.560 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.226 -5.826 2.991 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.173 -4.521 4.301 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.839 -4.433 3.168 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.812 -2.472 2.114 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.230 -2.589 3.137 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.378 -2.229 4.183 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.518 -0.916 3.962 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.056 -1.918 5.605 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.016 -3.319 5.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.907 -1.406 7.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.474 -2.162 6.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.912 -0.653 6.325 1.00 0.00 H new ATOM 375 N ILE A 24 -4.438 -4.037 0.296 1.00 0.00 N ATOM 376 CA ILE A 24 -5.343 -3.649 -0.795 1.00 0.00 C ATOM 377 C ILE A 24 -5.916 -4.792 -1.624 1.00 0.00 C ATOM 378 O ILE A 24 -7.123 -4.824 -1.857 1.00 0.00 O ATOM 379 CB ILE A 24 -4.694 -2.629 -1.736 1.00 0.00 C ATOM 380 CG1 ILE A 24 -3.377 -2.965 -2.401 1.00 0.00 C ATOM 381 CG2 ILE A 24 -4.775 -1.265 -1.051 1.00 0.00 C ATOM 382 CD1 ILE A 24 -2.717 -1.762 -3.008 1.00 0.00 C ATOM 0 H ILE A 24 -3.466 -3.796 0.102 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.187 -3.206 -0.266 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.276 -2.636 -2.657 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.706 -3.412 -1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.545 -3.713 -3.176 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.322 -0.509 -1.692 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.819 -1.010 -0.871 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.242 -1.303 -0.101 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.776 -2.058 -3.472 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.373 -1.329 -3.763 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.521 -1.023 -2.231 1.00 0.00 H new ATOM 394 N ALA A 25 -5.093 -5.756 -2.033 1.00 0.00 N ATOM 395 CA ALA A 25 -5.584 -6.913 -2.783 1.00 0.00 C ATOM 396 C ALA A 25 -6.583 -7.747 -1.951 1.00 0.00 C ATOM 397 O ALA A 25 -7.419 -8.473 -2.498 1.00 0.00 O ATOM 398 CB ALA A 25 -4.418 -7.775 -3.282 1.00 0.00 C ATOM 0 H ALA A 25 -4.088 -5.760 -1.859 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.123 -6.539 -3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.808 -8.629 -3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.779 -7.180 -3.934 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.837 -8.130 -2.430 1.00 0.00 H new ATOM 404 N SER A 26 -6.502 -7.597 -0.627 1.00 0.00 N ATOM 405 CA SER A 26 -7.361 -8.206 0.376 1.00 0.00 C ATOM 406 C SER A 26 -8.324 -7.210 1.049 1.00 0.00 C ATOM 407 O SER A 26 -8.905 -7.515 2.093 1.00 0.00 O ATOM 408 CB SER A 26 -6.520 -8.960 1.422 1.00 0.00 C ATOM 409 OG SER A 26 -7.369 -9.586 2.362 1.00 0.00 O ATOM 0 H SER A 26 -5.785 -7.007 -0.205 1.00 0.00 H new ATOM 0 HA SER A 26 -7.994 -8.919 -0.152 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.895 -9.706 0.930 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.849 -8.267 1.930 1.00 0.00 H new ATOM 0 HG SER A 26 -8.014 -8.933 2.705 1.00 0.00 H new ATOM 415 N CYS A 27 -8.500 -5.989 0.538 1.00 0.00 N ATOM 416 CA CYS A 27 -9.203 -4.989 1.330 1.00 0.00 C ATOM 417 C CYS A 27 -10.718 -5.274 1.519 1.00 0.00 C ATOM 418 O CYS A 27 -11.356 -4.773 2.443 1.00 0.00 O ATOM 419 CB CYS A 27 -8.977 -3.629 0.713 1.00 0.00 C ATOM 420 SG CYS A 27 -9.731 -3.464 -0.896 1.00 0.00 S ATOM 0 H CYS A 27 -8.180 -5.681 -0.380 1.00 0.00 H new ATOM 0 HA CYS A 27 -8.787 -5.026 2.337 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -9.378 -2.863 1.377 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.906 -3.448 0.627 1.00 0.00 H new ATOM 0 HG CYS A 27 -8.925 -3.932 -1.803 1.00 0.00 H new ATOM 426 N GLN A 28 -11.288 -6.088 0.614 1.00 0.00 N ATOM 427 CA GLN A 28 -12.665 -6.657 0.563 1.00 0.00 C ATOM 428 C GLN A 28 -13.820 -5.647 0.489 1.00 0.00 C ATOM 429 O GLN A 28 -14.983 -6.034 0.380 1.00 0.00 O ATOM 430 CB GLN A 28 -12.894 -7.599 1.757 1.00 0.00 C ATOM 431 CG GLN A 28 -11.972 -8.822 1.775 1.00 0.00 C ATOM 432 CD GLN A 28 -11.778 -9.315 3.196 1.00 0.00 C ATOM 433 OE1 GLN A 28 -12.455 -10.217 3.681 1.00 0.00 O ATOM 434 NE2 GLN A 28 -10.867 -8.695 3.918 1.00 0.00 N ATOM 0 H GLN A 28 -10.745 -6.403 -0.190 1.00 0.00 H new ATOM 0 HA GLN A 28 -12.694 -7.189 -0.388 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -12.753 -7.038 2.681 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.930 -7.938 1.745 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.399 -9.616 1.162 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.007 -8.565 1.337 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.311 -7.947 3.504 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.718 -8.963 4.891 1.00 0.00 H new ATOM 443 N THR A 29 -13.514 -4.364 0.572 1.00 0.00 N ATOM 444 CA THR A 29 -14.462 -3.264 0.734 1.00 0.00 C ATOM 445 C THR A 29 -13.831 -2.029 0.155 1.00 0.00 C ATOM 446 O THR A 29 -12.650 -1.772 0.399 1.00 0.00 O ATOM 447 CB THR A 29 -14.739 -2.966 2.213 1.00 0.00 C ATOM 448 OG1 THR A 29 -13.564 -2.951 2.995 1.00 0.00 O ATOM 449 CG2 THR A 29 -15.708 -3.969 2.834 1.00 0.00 C ATOM 0 H THR A 29 -12.548 -4.039 0.526 1.00 0.00 H new ATOM 0 HA THR A 29 -15.395 -3.540 0.242 1.00 0.00 H new ATOM 0 HB THR A 29 -15.186 -1.972 2.217 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.003 -3.719 2.758 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.872 -3.716 3.881 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.657 -3.936 2.300 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.287 -4.972 2.765 1.00 0.00 H new ATOM 457 N LEU A 30 -14.580 -1.229 -0.593 1.00 0.00 N ATOM 458 CA LEU A 30 -14.000 0.007 -1.080 1.00 0.00 C ATOM 459 C LEU A 30 -13.791 0.959 0.075 1.00 0.00 C ATOM 460 O LEU A 30 -12.837 1.708 0.148 1.00 0.00 O ATOM 461 CB LEU A 30 -14.915 0.713 -2.053 1.00 0.00 C ATOM 462 CG LEU A 30 -13.956 1.704 -2.735 1.00 0.00 C ATOM 463 CD1 LEU A 30 -13.613 1.328 -4.119 1.00 0.00 C ATOM 464 CD2 LEU A 30 -14.508 3.065 -2.700 1.00 0.00 C ATOM 0 H LEU A 30 -15.547 -1.405 -0.864 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.064 -0.257 -1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.362 0.022 -2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.735 1.222 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.028 1.671 -2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.934 2.070 -4.540 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.130 0.351 -4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.521 1.285 -4.720 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.815 3.751 -3.187 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.464 3.083 -3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.654 3.372 -1.664 1.00 0.00 H new ATOM 476 N GLU A 31 -14.729 0.907 0.988 1.00 0.00 N ATOM 477 CA GLU A 31 -14.783 1.699 2.172 1.00 0.00 C ATOM 478 C GLU A 31 -13.592 1.452 3.066 1.00 0.00 C ATOM 479 O GLU A 31 -13.071 2.377 3.682 1.00 0.00 O ATOM 480 CB GLU A 31 -16.085 1.262 2.835 1.00 0.00 C ATOM 481 CG GLU A 31 -16.610 2.373 3.683 1.00 0.00 C ATOM 482 CD GLU A 31 -17.822 1.937 4.494 1.00 0.00 C ATOM 483 OE1 GLU A 31 -17.642 1.322 5.569 1.00 0.00 O ATOM 484 OE2 GLU A 31 -18.963 2.247 4.078 1.00 0.00 O ATOM 0 H GLU A 31 -15.520 0.268 0.911 1.00 0.00 H new ATOM 0 HA GLU A 31 -14.754 2.768 1.963 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.819 0.992 2.076 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.915 0.374 3.444 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.826 2.718 4.357 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.881 3.218 3.050 1.00 0.00 H new ATOM 491 N GLY A 32 -13.129 0.205 3.082 1.00 0.00 N ATOM 492 CA GLY A 32 -11.818 -0.144 3.598 1.00 0.00 C ATOM 493 C GLY A 32 -10.652 0.259 2.731 1.00 0.00 C ATOM 494 O GLY A 32 -9.727 0.848 3.249 1.00 0.00 O ATOM 0 H GLY A 32 -13.660 -0.593 2.734 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.697 0.319 4.578 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -11.781 -1.223 3.748 1.00 0.00 H new ATOM 498 N LEU A 33 -10.704 0.100 1.425 1.00 0.00 N ATOM 499 CA LEU A 33 -9.632 0.507 0.505 1.00 0.00 C ATOM 500 C LEU A 33 -9.304 1.986 0.574 1.00 0.00 C ATOM 501 O LEU A 33 -8.153 2.373 0.570 1.00 0.00 O ATOM 502 CB LEU A 33 -10.177 0.193 -0.880 1.00 0.00 C ATOM 503 CG LEU A 33 -9.310 0.636 -2.062 1.00 0.00 C ATOM 504 CD1 LEU A 33 -7.849 0.280 -1.947 1.00 0.00 C ATOM 505 CD2 LEU A 33 -9.803 -0.064 -3.289 1.00 0.00 C ATOM 0 H LEU A 33 -11.503 -0.323 0.952 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.709 -0.014 0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.331 -0.884 -0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.156 0.662 -0.978 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.390 1.723 -2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.318 0.635 -2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.429 0.750 -1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.743 -0.802 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.200 0.236 -4.146 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.724 -1.142 -3.149 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.845 0.204 -3.467 1.00 0.00 H new ATOM 517 N GLU A 34 -10.347 2.779 0.641 1.00 0.00 N ATOM 518 CA GLU A 34 -10.423 4.204 0.958 1.00 0.00 C ATOM 519 C GLU A 34 -9.880 4.578 2.339 1.00 0.00 C ATOM 520 O GLU A 34 -9.314 5.657 2.524 1.00 0.00 O ATOM 521 CB GLU A 34 -11.894 4.571 0.918 1.00 0.00 C ATOM 522 CG GLU A 34 -12.432 4.770 -0.491 1.00 0.00 C ATOM 523 CD GLU A 34 -12.025 6.129 -1.049 1.00 0.00 C ATOM 524 OE1 GLU A 34 -10.849 6.312 -1.424 1.00 0.00 O ATOM 525 OE2 GLU A 34 -12.899 7.019 -1.132 1.00 0.00 O ATOM 0 H GLU A 34 -11.278 2.406 0.454 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.806 4.739 0.236 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.469 3.787 1.411 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.048 5.486 1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.057 3.980 -1.141 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.519 4.688 -0.483 1.00 0.00 H new ATOM 532 N GLU A 35 -10.031 3.689 3.327 1.00 0.00 N ATOM 533 CA GLU A 35 -9.357 3.774 4.653 1.00 0.00 C ATOM 534 C GLU A 35 -7.888 3.408 4.554 1.00 0.00 C ATOM 535 O GLU A 35 -7.074 4.091 5.161 1.00 0.00 O ATOM 536 CB GLU A 35 -9.966 2.878 5.745 1.00 0.00 C ATOM 537 CG GLU A 35 -11.381 3.281 6.129 1.00 0.00 C ATOM 538 CD GLU A 35 -11.384 4.171 7.366 1.00 0.00 C ATOM 539 OE1 GLU A 35 -11.445 3.629 8.494 1.00 0.00 O ATOM 540 OE2 GLU A 35 -11.357 5.415 7.216 1.00 0.00 O ATOM 0 H GLU A 35 -10.633 2.871 3.238 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.499 4.815 4.943 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.971 1.845 5.398 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.332 2.913 6.631 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.850 3.807 5.298 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.977 2.389 6.318 1.00 0.00 H new ATOM 547 N LEU A 36 -7.547 2.409 3.738 1.00 0.00 N ATOM 548 CA LEU A 36 -6.179 2.102 3.322 1.00 0.00 C ATOM 549 C LEU A 36 -5.585 3.284 2.548 1.00 0.00 C ATOM 550 O LEU A 36 -4.415 3.600 2.706 1.00 0.00 O ATOM 551 CB LEU A 36 -5.979 0.802 2.511 1.00 0.00 C ATOM 552 CG LEU A 36 -6.683 -0.436 3.032 1.00 0.00 C ATOM 553 CD1 LEU A 36 -6.568 -1.594 2.059 1.00 0.00 C ATOM 554 CD2 LEU A 36 -6.071 -0.820 4.347 1.00 0.00 C ATOM 0 H LEU A 36 -8.236 1.773 3.337 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.652 1.926 4.260 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.316 0.982 1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.911 0.592 2.462 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.742 -0.209 3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.084 -2.464 2.466 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.021 -1.316 1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.517 -1.836 1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.568 -1.710 4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.010 -1.029 4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.189 -0.001 5.056 1.00 0.00 H new ATOM 566 N GLU A 37 -6.389 3.971 1.731 1.00 0.00 N ATOM 567 CA GLU A 37 -5.988 5.123 0.944 1.00 0.00 C ATOM 568 C GLU A 37 -5.644 6.293 1.824 1.00 0.00 C ATOM 569 O GLU A 37 -4.590 6.905 1.681 1.00 0.00 O ATOM 570 CB GLU A 37 -7.097 5.554 -0.007 1.00 0.00 C ATOM 571 CG GLU A 37 -6.587 6.248 -1.263 1.00 0.00 C ATOM 572 CD GLU A 37 -6.423 7.766 -1.168 1.00 0.00 C ATOM 573 OE1 GLU A 37 -7.017 8.419 -0.276 1.00 0.00 O ATOM 574 OE2 GLU A 37 -5.718 8.313 -2.050 1.00 0.00 O ATOM 0 H GLU A 37 -7.370 3.725 1.600 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.109 4.820 0.374 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.677 4.678 -0.296 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.775 6.226 0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.623 5.814 -1.529 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.273 6.027 -2.081 1.00 0.00 H new ATOM 581 N ALA A 38 -6.509 6.532 2.804 1.00 0.00 N ATOM 582 CA ALA A 38 -6.208 7.479 3.834 1.00 0.00 C ATOM 583 C ALA A 38 -4.982 7.035 4.642 1.00 0.00 C ATOM 584 O ALA A 38 -4.049 7.808 4.783 1.00 0.00 O ATOM 585 CB ALA A 38 -7.433 7.698 4.723 1.00 0.00 C ATOM 0 H ALA A 38 -7.417 6.077 2.894 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.957 8.435 3.374 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.192 8.420 5.503 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.258 8.077 4.119 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.724 6.753 5.181 1.00 0.00 H new ATOM 591 N TYR A 39 -4.901 5.777 5.086 1.00 0.00 N ATOM 592 CA TYR A 39 -3.794 5.279 5.919 1.00 0.00 C ATOM 593 C TYR A 39 -2.438 5.351 5.171 1.00 0.00 C ATOM 594 O TYR A 39 -1.408 5.654 5.777 1.00 0.00 O ATOM 595 CB TYR A 39 -4.071 3.841 6.412 1.00 0.00 C ATOM 596 CG TYR A 39 -2.882 2.900 6.363 1.00 0.00 C ATOM 597 CD1 TYR A 39 -2.659 2.167 5.185 1.00 0.00 C ATOM 598 CD2 TYR A 39 -1.925 2.862 7.396 1.00 0.00 C ATOM 599 CE1 TYR A 39 -1.462 1.473 5.000 1.00 0.00 C ATOM 600 CE2 TYR A 39 -0.744 2.114 7.232 1.00 0.00 C ATOM 601 CZ TYR A 39 -0.499 1.443 6.023 1.00 0.00 C ATOM 602 OH TYR A 39 0.665 0.761 5.846 1.00 0.00 O ATOM 0 H TYR A 39 -5.605 5.068 4.878 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.726 5.931 6.790 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -4.433 3.890 7.439 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -4.875 3.417 5.810 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.419 2.140 4.418 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.097 3.406 8.313 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.276 0.958 4.069 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.026 2.056 8.037 1.00 0.00 H new ATOM 0 HH TYR A 39 1.059 1.006 4.983 1.00 0.00 H new ATOM 612 N TYR A 40 -2.446 5.177 3.845 1.00 0.00 N ATOM 613 CA TYR A 40 -1.325 5.432 2.939 1.00 0.00 C ATOM 614 C TYR A 40 -0.932 6.898 3.055 1.00 0.00 C ATOM 615 O TYR A 40 0.163 7.215 3.514 1.00 0.00 O ATOM 616 CB TYR A 40 -1.785 5.079 1.503 1.00 0.00 C ATOM 617 CG TYR A 40 -1.170 5.845 0.339 1.00 0.00 C ATOM 618 CD1 TYR A 40 0.216 5.870 0.101 1.00 0.00 C ATOM 619 CD2 TYR A 40 -2.024 6.588 -0.499 1.00 0.00 C ATOM 620 CE1 TYR A 40 0.734 6.667 -0.943 1.00 0.00 C ATOM 621 CE2 TYR A 40 -1.503 7.415 -1.503 1.00 0.00 C ATOM 622 CZ TYR A 40 -0.126 7.441 -1.743 1.00 0.00 C ATOM 623 OH TYR A 40 0.353 8.230 -2.734 1.00 0.00 O ATOM 0 H TYR A 40 -3.273 4.839 3.353 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.455 4.825 3.190 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.591 4.019 1.343 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.865 5.215 1.457 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.882 5.281 0.715 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.094 6.519 -0.366 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.798 6.682 -1.129 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.165 8.032 -2.092 1.00 0.00 H new ATOM 0 HH TYR A 40 1.280 7.982 -2.931 1.00 0.00 H new ATOM 633 N LYS A 41 -1.871 7.814 2.828 1.00 0.00 N ATOM 634 CA LYS A 41 -1.574 9.255 2.919 1.00 0.00 C ATOM 635 C LYS A 41 -1.075 9.698 4.319 1.00 0.00 C ATOM 636 O LYS A 41 -0.162 10.517 4.454 1.00 0.00 O ATOM 637 CB LYS A 41 -2.812 10.034 2.494 1.00 0.00 C ATOM 638 CG LYS A 41 -3.229 9.636 1.071 1.00 0.00 C ATOM 639 CD LYS A 41 -3.016 10.719 0.017 1.00 0.00 C ATOM 640 CE LYS A 41 -1.517 10.953 -0.192 1.00 0.00 C ATOM 641 NZ LYS A 41 -1.056 12.261 0.340 1.00 0.00 N ATOM 0 H LYS A 41 -2.836 7.595 2.582 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.744 9.471 2.246 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.629 9.838 3.188 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.609 11.104 2.535 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.669 8.748 0.778 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.283 9.359 1.080 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.481 10.421 -0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.497 11.645 0.332 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.958 10.152 0.293 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.291 10.900 -1.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.035 12.364 0.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.566 13.030 -0.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.244 12.306 1.362 1.00 0.00 H new ATOM 655 N LYS A 42 -1.657 9.115 5.372 1.00 0.00 N ATOM 656 CA LYS A 42 -1.389 9.299 6.782 1.00 0.00 C ATOM 657 C LYS A 42 -0.008 8.784 7.210 1.00 0.00 C ATOM 658 O LYS A 42 0.636 9.421 8.028 1.00 0.00 O ATOM 659 CB LYS A 42 -2.508 8.514 7.483 1.00 0.00 C ATOM 660 CG LYS A 42 -3.910 9.136 7.414 1.00 0.00 C ATOM 661 CD LYS A 42 -4.144 10.313 8.348 1.00 0.00 C ATOM 662 CE LYS A 42 -5.538 10.842 7.984 1.00 0.00 C ATOM 663 NZ LYS A 42 -5.789 12.196 8.517 1.00 0.00 N ATOM 0 H LYS A 42 -2.403 8.434 5.231 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.374 10.357 7.042 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.553 7.516 7.047 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.237 8.392 8.532 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.095 9.463 6.391 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.644 8.363 7.639 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.101 10.002 9.392 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.383 11.081 8.212 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.645 10.857 6.899 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.294 10.158 8.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.743 12.506 8.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.715 12.180 9.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.086 12.857 8.130 1.00 0.00 H new ATOM 677 N ARG A 43 0.454 7.631 6.725 1.00 0.00 N ATOM 678 CA ARG A 43 1.824 7.162 6.941 1.00 0.00 C ATOM 679 C ARG A 43 2.911 7.945 6.194 1.00 0.00 C ATOM 680 O ARG A 43 4.003 8.154 6.702 1.00 0.00 O ATOM 681 CB ARG A 43 1.930 5.663 6.648 1.00 0.00 C ATOM 682 CG ARG A 43 3.158 5.061 7.343 1.00 0.00 C ATOM 683 CD ARG A 43 3.443 3.648 6.818 1.00 0.00 C ATOM 684 NE ARG A 43 4.645 3.063 7.441 1.00 0.00 N ATOM 685 CZ ARG A 43 4.708 2.366 8.564 1.00 0.00 C ATOM 686 NH1 ARG A 43 3.659 2.132 9.305 1.00 0.00 N ATOM 687 NH2 ARG A 43 5.849 1.873 8.967 1.00 0.00 N ATOM 0 H ARG A 43 -0.114 6.993 6.168 1.00 0.00 H new ATOM 0 HA ARG A 43 2.025 7.351 7.995 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.028 5.156 6.989 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.999 5.501 5.572 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.026 5.698 7.174 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.992 5.027 8.420 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.583 3.007 7.015 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.574 3.682 5.736 1.00 0.00 H new ATOM 0 HE ARG A 43 5.527 3.213 6.951 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.746 2.491 9.025 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.752 1.590 10.164 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.694 2.025 8.416 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.895 1.336 9.833 1.00 0.00 H new ATOM 701 N VAL A 44 2.650 8.362 4.962 1.00 0.00 N ATOM 702 CA VAL A 44 3.652 8.862 4.026 1.00 0.00 C ATOM 703 C VAL A 44 4.346 10.138 4.480 1.00 0.00 C ATOM 704 O VAL A 44 5.558 10.289 4.346 1.00 0.00 O ATOM 705 CB VAL A 44 2.882 9.030 2.715 1.00 0.00 C ATOM 706 CG1 VAL A 44 3.456 9.995 1.706 1.00 0.00 C ATOM 707 CG2 VAL A 44 2.852 7.633 2.133 1.00 0.00 C ATOM 0 H VAL A 44 1.707 8.362 4.573 1.00 0.00 H new ATOM 0 HA VAL A 44 4.490 8.171 3.932 1.00 0.00 H new ATOM 0 HB VAL A 44 1.911 9.473 2.935 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.817 10.022 0.823 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.510 10.991 2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.456 9.670 1.420 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.317 7.646 1.183 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.872 7.285 1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.345 6.961 2.826 1.00 0.00 H new ATOM 717 N LYS A 45 3.585 10.997 5.142 1.00 0.00 N ATOM 718 CA LYS A 45 4.097 12.165 5.852 1.00 0.00 C ATOM 719 C LYS A 45 5.044 11.831 7.038 1.00 0.00 C ATOM 720 O LYS A 45 5.939 12.602 7.395 1.00 0.00 O ATOM 721 CB LYS A 45 2.860 12.915 6.354 1.00 0.00 C ATOM 722 CG LYS A 45 2.238 12.159 7.508 1.00 0.00 C ATOM 723 CD LYS A 45 0.882 12.670 7.996 1.00 0.00 C ATOM 724 CE LYS A 45 0.823 12.045 9.390 1.00 0.00 C ATOM 725 NZ LYS A 45 -0.534 12.000 9.973 1.00 0.00 N ATOM 0 H LYS A 45 2.571 10.901 5.203 1.00 0.00 H new ATOM 0 HA LYS A 45 4.713 12.755 5.173 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.137 13.920 6.672 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.136 13.024 5.546 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.125 11.116 7.213 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.934 12.180 8.346 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.839 13.759 8.029 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.062 12.338 7.359 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.219 11.031 9.339 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.475 12.609 10.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.492 11.564 10.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.909 12.967 10.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.157 11.438 9.359 1.00 0.00 H new ATOM 739 N GLU A 46 4.762 10.681 7.668 1.00 0.00 N ATOM 740 CA GLU A 46 5.263 10.172 8.952 1.00 0.00 C ATOM 741 C GLU A 46 6.574 9.424 8.773 1.00 0.00 C ATOM 742 O GLU A 46 7.293 9.151 9.738 1.00 0.00 O ATOM 743 CB GLU A 46 4.206 9.271 9.573 1.00 0.00 C ATOM 744 CG GLU A 46 4.322 9.151 11.079 1.00 0.00 C ATOM 745 CD GLU A 46 4.154 10.470 11.813 1.00 0.00 C ATOM 746 OE1 GLU A 46 3.024 11.011 11.822 1.00 0.00 O ATOM 747 OE2 GLU A 46 5.141 10.956 12.409 1.00 0.00 O ATOM 0 H GLU A 46 4.111 10.018 7.247 1.00 0.00 H new ATOM 0 HA GLU A 46 5.460 11.013 9.617 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.218 9.657 9.322 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.281 8.278 9.131 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.570 8.448 11.437 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.296 8.729 11.327 1.00 0.00 H new ATOM 754 N THR A 47 6.902 9.163 7.509 1.00 0.00 N ATOM 755 CA THR A 47 8.226 8.699 7.091 1.00 0.00 C ATOM 756 C THR A 47 8.658 9.411 5.803 1.00 0.00 C ATOM 757 O THR A 47 9.174 10.533 5.882 1.00 0.00 O ATOM 758 CB THR A 47 8.311 7.154 7.075 1.00 0.00 C ATOM 759 OG1 THR A 47 9.448 6.682 6.376 1.00 0.00 O ATOM 760 CG2 THR A 47 7.070 6.439 6.523 1.00 0.00 C ATOM 0 H THR A 47 6.247 9.269 6.734 1.00 0.00 H new ATOM 0 HA THR A 47 8.972 8.984 7.833 1.00 0.00 H new ATOM 0 HB THR A 47 8.387 6.904 8.133 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.460 5.702 6.394 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.228 5.361 6.554 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.202 6.696 7.130 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.898 6.751 5.493 1.00 0.00 H new ATOM 768 N GLU A 48 8.391 8.843 4.615 1.00 0.00 N ATOM 769 CA GLU A 48 8.468 9.548 3.314 1.00 0.00 C ATOM 770 C GLU A 48 7.699 8.901 2.169 1.00 0.00 C ATOM 771 O GLU A 48 7.127 9.596 1.326 1.00 0.00 O ATOM 772 CB GLU A 48 9.899 9.891 2.866 1.00 0.00 C ATOM 773 CG GLU A 48 10.792 8.715 3.167 1.00 0.00 C ATOM 774 CD GLU A 48 12.024 8.668 2.279 1.00 0.00 C ATOM 775 OE1 GLU A 48 12.786 9.660 2.255 1.00 0.00 O ATOM 776 OE2 GLU A 48 12.256 7.618 1.639 1.00 0.00 O ATOM 0 H GLU A 48 8.111 7.866 4.525 1.00 0.00 H new ATOM 0 HA GLU A 48 7.953 10.482 3.541 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.918 10.117 1.800 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.256 10.780 3.387 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.104 8.759 4.211 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.225 7.793 3.042 1.00 0.00 H new ATOM 783 N LEU A 49 7.679 7.573 2.177 1.00 0.00 N ATOM 784 CA LEU A 49 7.623 6.713 0.989 1.00 0.00 C ATOM 785 C LEU A 49 8.559 7.131 -0.165 1.00 0.00 C ATOM 786 O LEU A 49 9.155 8.215 -0.202 1.00 0.00 O ATOM 787 CB LEU A 49 6.186 6.291 0.660 1.00 0.00 C ATOM 788 CG LEU A 49 5.258 6.958 -0.388 1.00 0.00 C ATOM 789 CD1 LEU A 49 5.808 7.877 -1.456 1.00 0.00 C ATOM 790 CD2 LEU A 49 4.509 5.821 -1.059 1.00 0.00 C ATOM 0 H LEU A 49 7.702 7.039 3.046 1.00 0.00 H new ATOM 0 HA LEU A 49 8.100 5.765 1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.246 5.241 0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.643 6.334 1.604 1.00 0.00 H new ATOM 0 HG LEU A 49 4.676 7.668 0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.992 8.235 -2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.303 8.726 -0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.526 7.333 -2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.834 6.225 -1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.221 5.146 -1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.933 5.274 -0.312 1.00 0.00 H new ATOM 802 N LYS A 50 8.744 6.203 -1.084 1.00 0.00 N ATOM 803 CA LYS A 50 9.556 6.376 -2.284 1.00 0.00 C ATOM 804 C LYS A 50 8.690 6.145 -3.518 1.00 0.00 C ATOM 805 O LYS A 50 7.542 5.708 -3.415 1.00 0.00 O ATOM 806 CB LYS A 50 10.789 5.458 -2.216 1.00 0.00 C ATOM 807 CG LYS A 50 10.534 3.964 -2.469 1.00 0.00 C ATOM 808 CD LYS A 50 11.004 3.108 -1.289 1.00 0.00 C ATOM 809 CE LYS A 50 10.169 3.413 -0.046 1.00 0.00 C ATOM 810 NZ LYS A 50 10.615 2.675 1.151 1.00 0.00 N ATOM 0 H LYS A 50 8.322 5.277 -1.018 1.00 0.00 H new ATOM 0 HA LYS A 50 9.936 7.395 -2.352 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.519 5.810 -2.945 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.244 5.567 -1.231 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.470 3.799 -2.639 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.054 3.653 -3.375 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.920 2.051 -1.542 1.00 0.00 H new ATOM 0 HD3 LYS A 50 12.057 3.304 -1.085 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.211 4.483 0.158 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.126 3.168 -0.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.804 2.515 1.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.016 1.759 0.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.339 3.229 1.651 1.00 0.00 H new ATOM 824 N ASP A 51 9.238 6.382 -4.709 1.00 0.00 N ATOM 825 CA ASP A 51 8.471 6.151 -5.948 1.00 0.00 C ATOM 826 C ASP A 51 7.916 4.724 -5.958 1.00 0.00 C ATOM 827 O ASP A 51 6.734 4.485 -6.161 1.00 0.00 O ATOM 828 CB ASP A 51 9.336 6.385 -7.191 1.00 0.00 C ATOM 829 CG ASP A 51 9.927 7.810 -7.276 1.00 0.00 C ATOM 830 OD1 ASP A 51 9.249 8.719 -7.815 1.00 0.00 O ATOM 831 OD2 ASP A 51 11.079 8.015 -6.823 1.00 0.00 O ATOM 0 H ASP A 51 10.188 6.726 -4.850 1.00 0.00 H new ATOM 0 HA ASP A 51 7.646 6.863 -5.973 1.00 0.00 H new ATOM 0 HB2 ASP A 51 10.152 5.662 -7.197 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.736 6.196 -8.081 1.00 0.00 H new ATOM 836 N THR A 52 8.759 3.783 -5.576 1.00 0.00 N ATOM 837 CA THR A 52 8.528 2.346 -5.689 1.00 0.00 C ATOM 838 C THR A 52 7.296 1.847 -4.937 1.00 0.00 C ATOM 839 O THR A 52 6.593 1.001 -5.494 1.00 0.00 O ATOM 840 CB THR A 52 9.728 1.649 -5.051 1.00 0.00 C ATOM 841 OG1 THR A 52 10.929 2.087 -5.660 1.00 0.00 O ATOM 842 CG2 THR A 52 9.698 0.122 -5.079 1.00 0.00 C ATOM 0 H THR A 52 9.664 4.004 -5.160 1.00 0.00 H new ATOM 0 HA THR A 52 8.381 2.130 -6.747 1.00 0.00 H new ATOM 0 HB THR A 52 9.676 1.933 -4.000 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.680 1.935 -5.049 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.596 -0.268 -4.600 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.818 -0.234 -4.544 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.659 -0.222 -6.112 1.00 0.00 H new ATOM 850 N ASP A 53 7.008 2.305 -3.701 1.00 0.00 N ATOM 851 CA ASP A 53 5.719 1.961 -3.077 1.00 0.00 C ATOM 852 C ASP A 53 4.605 2.647 -3.840 1.00 0.00 C ATOM 853 O ASP A 53 3.705 1.992 -4.344 1.00 0.00 O ATOM 854 CB ASP A 53 5.566 2.233 -1.549 1.00 0.00 C ATOM 855 CG ASP A 53 6.739 2.830 -0.764 1.00 0.00 C ATOM 856 OD1 ASP A 53 7.437 3.708 -1.314 1.00 0.00 O ATOM 857 OD2 ASP A 53 6.912 2.469 0.429 1.00 0.00 O ATOM 0 H ASP A 53 7.624 2.890 -3.136 1.00 0.00 H new ATOM 0 HA ASP A 53 5.667 0.874 -3.143 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.714 2.901 -1.421 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.304 1.287 -1.074 1.00 0.00 H new ATOM 862 N ASP A 54 4.744 3.946 -4.044 1.00 0.00 N ATOM 863 CA ASP A 54 3.659 4.875 -4.392 1.00 0.00 C ATOM 864 C ASP A 54 2.967 4.522 -5.700 1.00 0.00 C ATOM 865 O ASP A 54 1.754 4.546 -5.799 1.00 0.00 O ATOM 866 CB ASP A 54 4.328 6.253 -4.551 1.00 0.00 C ATOM 867 CG ASP A 54 3.327 7.425 -4.596 1.00 0.00 C ATOM 868 OD1 ASP A 54 2.829 7.858 -3.527 1.00 0.00 O ATOM 869 OD2 ASP A 54 3.051 7.931 -5.710 1.00 0.00 O ATOM 0 H ASP A 54 5.649 4.410 -3.971 1.00 0.00 H new ATOM 0 HA ASP A 54 2.893 4.842 -3.617 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.020 6.409 -3.723 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.920 6.257 -5.466 1.00 0.00 H new ATOM 874 N ILE A 55 3.743 4.223 -6.725 1.00 0.00 N ATOM 875 CA ILE A 55 3.237 3.808 -8.049 1.00 0.00 C ATOM 876 C ILE A 55 2.587 2.439 -8.005 1.00 0.00 C ATOM 877 O ILE A 55 1.494 2.240 -8.525 1.00 0.00 O ATOM 878 CB ILE A 55 4.287 3.780 -9.192 1.00 0.00 C ATOM 879 CG1 ILE A 55 5.554 4.616 -8.953 1.00 0.00 C ATOM 880 CG2 ILE A 55 3.621 4.196 -10.512 1.00 0.00 C ATOM 881 CD1 ILE A 55 6.754 3.648 -8.916 1.00 0.00 C ATOM 0 H ILE A 55 4.761 4.258 -6.675 1.00 0.00 H new ATOM 0 HA ILE A 55 2.515 4.591 -8.280 1.00 0.00 H new ATOM 0 HB ILE A 55 4.640 2.750 -9.232 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.681 5.353 -9.746 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.478 5.167 -8.015 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.359 4.176 -11.314 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.812 3.503 -10.746 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.218 5.204 -10.414 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.671 4.212 -8.747 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.617 2.929 -8.109 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.823 3.118 -9.866 1.00 0.00 H new ATOM 893 N SER A 56 3.279 1.495 -7.348 1.00 0.00 N ATOM 894 CA SER A 56 2.830 0.109 -7.336 1.00 0.00 C ATOM 895 C SER A 56 1.504 0.035 -6.621 1.00 0.00 C ATOM 896 O SER A 56 0.534 -0.534 -7.114 1.00 0.00 O ATOM 897 CB SER A 56 3.794 -0.741 -6.492 1.00 0.00 C ATOM 898 OG SER A 56 4.211 -1.891 -7.209 1.00 0.00 O ATOM 0 H SER A 56 4.139 1.670 -6.827 1.00 0.00 H new ATOM 0 HA SER A 56 2.773 -0.245 -8.365 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.663 -0.145 -6.214 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.305 -1.042 -5.566 1.00 0.00 H new ATOM 0 HG SER A 56 4.398 -2.619 -6.580 1.00 0.00 H new ATOM 904 N VAL A 57 1.513 0.656 -5.439 1.00 0.00 N ATOM 905 CA VAL A 57 0.375 0.735 -4.599 1.00 0.00 C ATOM 906 C VAL A 57 -0.705 1.596 -5.192 1.00 0.00 C ATOM 907 O VAL A 57 -1.782 1.077 -5.373 1.00 0.00 O ATOM 908 CB VAL A 57 0.753 1.289 -3.236 1.00 0.00 C ATOM 909 CG1 VAL A 57 1.589 0.395 -2.344 1.00 0.00 C ATOM 910 CG2 VAL A 57 1.021 2.766 -3.101 1.00 0.00 C ATOM 0 H VAL A 57 2.338 1.117 -5.057 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.009 -0.280 -4.495 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.238 1.237 -2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.790 0.906 -1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.048 -0.530 -2.146 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.532 0.165 -2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.277 2.996 -2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.850 3.046 -3.751 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.130 3.325 -3.387 1.00 0.00 H new ATOM 920 N ARG A 58 -0.452 2.786 -5.729 1.00 0.00 N ATOM 921 CA ARG A 58 -1.595 3.578 -6.178 1.00 0.00 C ATOM 922 C ARG A 58 -2.253 2.971 -7.383 1.00 0.00 C ATOM 923 O ARG A 58 -3.468 2.989 -7.495 1.00 0.00 O ATOM 924 CB ARG A 58 -1.233 4.987 -6.564 1.00 0.00 C ATOM 925 CG ARG A 58 -2.362 5.951 -6.192 1.00 0.00 C ATOM 926 CD ARG A 58 -2.490 6.172 -4.674 1.00 0.00 C ATOM 927 NE ARG A 58 -3.408 7.278 -4.346 1.00 0.00 N ATOM 928 CZ ARG A 58 -3.214 8.580 -4.510 1.00 0.00 C ATOM 929 NH1 ARG A 58 -2.161 9.071 -5.103 1.00 0.00 N ATOM 930 NH2 ARG A 58 -4.084 9.425 -4.040 1.00 0.00 N ATOM 0 H ARG A 58 0.469 3.204 -5.859 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.264 3.590 -5.317 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.313 5.283 -6.060 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.041 5.039 -7.636 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.188 6.910 -6.680 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.305 5.563 -6.578 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.846 5.255 -4.204 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.506 6.383 -4.255 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.305 7.008 -3.942 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.441 8.445 -5.465 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.057 10.081 -5.205 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.911 9.085 -3.548 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.940 10.427 -4.163 1.00 0.00 H new ATOM 944 N ASP A 59 -1.446 2.392 -8.260 1.00 0.00 N ATOM 945 CA ASP A 59 -2.015 1.838 -9.481 1.00 0.00 C ATOM 946 C ASP A 59 -2.874 0.594 -9.204 1.00 0.00 C ATOM 947 O ASP A 59 -3.758 0.241 -9.978 1.00 0.00 O ATOM 948 CB ASP A 59 -0.885 1.492 -10.444 1.00 0.00 C ATOM 949 CG ASP A 59 -1.359 1.067 -11.848 1.00 0.00 C ATOM 950 OD1 ASP A 59 -1.867 1.932 -12.603 1.00 0.00 O ATOM 951 OD2 ASP A 59 -1.198 -0.125 -12.214 1.00 0.00 O ATOM 0 H ASP A 59 -0.436 2.295 -8.158 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.670 2.588 -9.923 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.228 2.356 -10.541 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.290 0.686 -10.014 1.00 0.00 H new ATOM 956 N ALA A 60 -2.491 -0.140 -8.158 1.00 0.00 N ATOM 957 CA ALA A 60 -3.161 -1.254 -7.497 1.00 0.00 C ATOM 958 C ALA A 60 -4.394 -0.908 -6.670 1.00 0.00 C ATOM 959 O ALA A 60 -5.401 -1.581 -6.709 1.00 0.00 O ATOM 960 CB ALA A 60 -2.119 -1.930 -6.612 1.00 0.00 C ATOM 0 H ALA A 60 -1.600 0.058 -7.704 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.553 -1.898 -8.284 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.574 -2.774 -6.094 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.293 -2.285 -7.229 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.744 -1.215 -5.880 1.00 0.00 H new ATOM 966 N LEU A 61 -4.242 0.090 -5.812 1.00 0.00 N ATOM 967 CA LEU A 61 -5.169 0.663 -4.863 1.00 0.00 C ATOM 968 C LEU A 61 -6.264 1.429 -5.579 1.00 0.00 C ATOM 969 O LEU A 61 -7.419 1.041 -5.506 1.00 0.00 O ATOM 970 CB LEU A 61 -4.255 1.559 -4.025 1.00 0.00 C ATOM 971 CG LEU A 61 -4.788 2.025 -2.697 1.00 0.00 C ATOM 972 CD1 LEU A 61 -3.680 1.929 -1.643 1.00 0.00 C ATOM 973 CD2 LEU A 61 -5.414 3.404 -2.737 1.00 0.00 C ATOM 0 H LEU A 61 -3.346 0.575 -5.764 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.709 -0.063 -4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.324 1.021 -3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.006 2.439 -4.618 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.608 1.361 -2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.064 2.266 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.347 0.895 -1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.840 2.558 -1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.774 3.669 -1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.670 4.132 -3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.249 3.404 -3.438 1.00 0.00 H new ATOM 985 N ALA A 62 -5.877 2.339 -6.478 1.00 0.00 N ATOM 986 CA ALA A 62 -6.777 2.825 -7.524 1.00 0.00 C ATOM 987 C ALA A 62 -7.248 1.731 -8.499 1.00 0.00 C ATOM 988 O ALA A 62 -8.363 1.773 -9.018 1.00 0.00 O ATOM 989 CB ALA A 62 -6.203 4.047 -8.246 1.00 0.00 C ATOM 0 H ALA A 62 -4.945 2.753 -6.501 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.681 3.149 -7.008 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.902 4.377 -9.015 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.046 4.853 -7.529 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.252 3.783 -8.709 1.00 0.00 H new ATOM 995 N GLY A 63 -6.382 0.732 -8.701 1.00 0.00 N ATOM 996 CA GLY A 63 -6.601 -0.506 -9.431 1.00 0.00 C ATOM 997 C GLY A 63 -7.872 -1.177 -8.960 1.00 0.00 C ATOM 998 O GLY A 63 -8.813 -1.395 -9.718 1.00 0.00 O ATOM 0 H GLY A 63 -5.435 0.780 -8.325 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.666 -0.299 -10.499 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.753 -1.176 -9.287 1.00 0.00 H new ATOM 1002 N LYS A 64 -7.870 -1.432 -7.650 1.00 0.00 N ATOM 1003 CA LYS A 64 -8.920 -2.006 -6.841 1.00 0.00 C ATOM 1004 C LYS A 64 -10.113 -1.080 -6.662 1.00 0.00 C ATOM 1005 O LYS A 64 -11.234 -1.539 -6.599 1.00 0.00 O ATOM 1006 CB LYS A 64 -8.314 -2.567 -5.546 1.00 0.00 C ATOM 1007 CG LYS A 64 -9.184 -3.686 -4.956 1.00 0.00 C ATOM 1008 CD LYS A 64 -8.498 -5.063 -4.946 1.00 0.00 C ATOM 1009 CE LYS A 64 -8.381 -5.628 -6.369 1.00 0.00 C ATOM 1010 NZ LYS A 64 -7.759 -6.969 -6.404 1.00 0.00 N ATOM 0 H LYS A 64 -7.048 -1.217 -7.085 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.364 -2.850 -7.369 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.314 -2.950 -5.747 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.207 -1.765 -4.816 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.460 -3.420 -3.936 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.109 -3.755 -5.528 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.506 -4.976 -4.502 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.067 -5.753 -4.322 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.373 -5.681 -6.817 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.792 -4.943 -6.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.705 -7.301 -7.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.801 -6.918 -6.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.333 -7.633 -5.845 1.00 0.00 H new ATOM 1024 N ARG A 65 -9.899 0.221 -6.579 1.00 0.00 N ATOM 1025 CA ARG A 65 -10.932 1.195 -6.287 1.00 0.00 C ATOM 1026 C ARG A 65 -12.053 1.058 -7.290 1.00 0.00 C ATOM 1027 O ARG A 65 -13.163 0.749 -6.896 1.00 0.00 O ATOM 1028 CB ARG A 65 -10.320 2.588 -6.261 1.00 0.00 C ATOM 1029 CG ARG A 65 -10.982 3.599 -5.322 1.00 0.00 C ATOM 1030 CD ARG A 65 -9.822 4.362 -4.675 1.00 0.00 C ATOM 1031 NE ARG A 65 -10.245 5.609 -4.032 1.00 0.00 N ATOM 1032 CZ ARG A 65 -10.450 6.794 -4.578 1.00 0.00 C ATOM 1033 NH1 ARG A 65 -10.317 7.023 -5.856 1.00 0.00 N ATOM 1034 NH2 ARG A 65 -10.792 7.785 -3.811 1.00 0.00 N ATOM 0 H ARG A 65 -8.979 0.638 -6.716 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.365 1.018 -5.302 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.271 2.496 -5.981 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -10.345 2.992 -7.273 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.640 4.273 -5.870 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.592 3.098 -4.570 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.342 3.722 -3.934 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.074 4.587 -5.435 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.403 5.554 -3.026 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.043 6.267 -6.484 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.487 7.958 -6.227 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.898 7.640 -2.807 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.955 8.708 -4.213 1.00 0.00 H new ATOM 1048 N ALA A 66 -11.721 1.010 -8.575 1.00 0.00 N ATOM 1049 CA ALA A 66 -12.717 0.813 -9.629 1.00 0.00 C ATOM 1050 C ALA A 66 -13.499 -0.496 -9.482 1.00 0.00 C ATOM 1051 O ALA A 66 -14.692 -0.556 -9.782 1.00 0.00 O ATOM 1052 CB ALA A 66 -12.065 0.802 -10.992 1.00 0.00 C ATOM 0 H ALA A 66 -10.765 1.105 -8.916 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.409 1.649 -9.530 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.826 0.654 -11.758 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.560 1.753 -11.161 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.338 -0.009 -11.041 1.00 0.00 H new ATOM 1058 N GLU A 67 -12.823 -1.558 -9.023 1.00 0.00 N ATOM 1059 CA GLU A 67 -13.401 -2.891 -8.827 1.00 0.00 C ATOM 1060 C GLU A 67 -14.415 -2.857 -7.709 1.00 0.00 C ATOM 1061 O GLU A 67 -15.471 -3.479 -7.753 1.00 0.00 O ATOM 1062 CB GLU A 67 -12.322 -3.857 -8.353 1.00 0.00 C ATOM 1063 CG GLU A 67 -11.071 -3.853 -9.196 1.00 0.00 C ATOM 1064 CD GLU A 67 -11.269 -4.555 -10.530 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -11.254 -5.808 -10.543 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -11.417 -3.867 -11.566 1.00 0.00 O ATOM 0 H GLU A 67 -11.835 -1.511 -8.772 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.845 -3.198 -9.774 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.055 -3.609 -7.326 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.734 -4.866 -8.340 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.759 -2.824 -9.373 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.265 -4.341 -8.648 1.00 0.00 H new ATOM 1073 N LEU A 68 -13.955 -2.236 -6.637 1.00 0.00 N ATOM 1074 CA LEU A 68 -14.643 -2.054 -5.392 1.00 0.00 C ATOM 1075 C LEU A 68 -15.848 -1.139 -5.437 1.00 0.00 C ATOM 1076 O LEU A 68 -16.793 -1.286 -4.674 1.00 0.00 O ATOM 1077 CB LEU A 68 -13.604 -1.766 -4.363 1.00 0.00 C ATOM 1078 CG LEU A 68 -13.053 -3.077 -3.848 1.00 0.00 C ATOM 1079 CD1 LEU A 68 -12.000 -2.681 -2.918 1.00 0.00 C ATOM 1080 CD2 LEU A 68 -14.022 -3.820 -2.934 1.00 0.00 C ATOM 0 H LEU A 68 -13.024 -1.820 -6.624 1.00 0.00 H new ATOM 0 HA LEU A 68 -15.163 -2.969 -5.109 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -12.804 -1.163 -4.793 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -14.033 -1.189 -3.544 1.00 0.00 H new ATOM 0 HG LEU A 68 -12.787 -3.698 -4.703 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.538 -3.571 -2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.245 -2.100 -3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.429 -2.075 -2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.565 -4.752 -2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -14.255 -3.199 -2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -14.940 -4.041 -3.479 1.00 0.00 H new ATOM 1092 N GLU A 69 -15.744 -0.143 -6.304 1.00 0.00 N ATOM 1093 CA GLU A 69 -16.717 0.839 -6.714 1.00 0.00 C ATOM 1094 C GLU A 69 -17.756 0.233 -7.662 1.00 0.00 C ATOM 1095 O GLU A 69 -18.936 0.583 -7.632 1.00 0.00 O ATOM 1096 CB GLU A 69 -15.893 1.873 -7.471 1.00 0.00 C ATOM 1097 CG GLU A 69 -15.475 3.125 -6.706 1.00 0.00 C ATOM 1098 CD GLU A 69 -14.943 4.168 -7.680 1.00 0.00 C ATOM 1099 OE1 GLU A 69 -15.770 4.898 -8.268 1.00 0.00 O ATOM 1100 OE2 GLU A 69 -13.709 4.261 -7.861 1.00 0.00 O ATOM 0 H GLU A 69 -14.862 0.007 -6.793 1.00 0.00 H new ATOM 0 HA GLU A 69 -17.266 1.246 -5.865 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -14.991 1.384 -7.838 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -16.464 2.186 -8.345 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -16.325 3.528 -6.156 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.709 2.875 -5.971 1.00 0.00 H new ATOM 1107 N ASP A 70 -17.297 -0.741 -8.454 1.00 0.00 N ATOM 1108 CA ASP A 70 -18.135 -1.756 -9.120 1.00 0.00 C ATOM 1109 C ASP A 70 -18.670 -2.788 -8.107 1.00 0.00 C ATOM 1110 O ASP A 70 -19.592 -3.542 -8.432 1.00 0.00 O ATOM 1111 CB ASP A 70 -17.348 -2.427 -10.276 1.00 0.00 C ATOM 1112 CG ASP A 70 -17.358 -1.670 -11.627 1.00 0.00 C ATOM 1113 OD1 ASP A 70 -18.293 -0.878 -11.912 1.00 0.00 O ATOM 1114 OD2 ASP A 70 -16.446 -1.916 -12.454 1.00 0.00 O ATOM 0 H ASP A 70 -16.304 -0.852 -8.659 1.00 0.00 H new ATOM 0 HA ASP A 70 -19.005 -1.262 -9.554 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -16.313 -2.554 -9.960 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -17.756 -3.425 -10.437 1.00 0.00 H new ATOM 1119 N SER A 71 -18.140 -2.770 -6.880 1.00 0.00 N ATOM 1120 CA SER A 71 -18.619 -3.574 -5.734 1.00 0.00 C ATOM 1121 C SER A 71 -19.240 -2.724 -4.591 1.00 0.00 C ATOM 1122 O SER A 71 -19.299 -3.162 -3.439 1.00 0.00 O ATOM 1123 CB SER A 71 -17.487 -4.487 -5.233 1.00 0.00 C ATOM 1124 OG SER A 71 -17.987 -5.654 -4.594 1.00 0.00 O ATOM 0 H SER A 71 -17.342 -2.181 -6.642 1.00 0.00 H new ATOM 0 HA SER A 71 -19.442 -4.193 -6.091 1.00 0.00 H new ATOM 0 HB2 SER A 71 -16.856 -4.776 -6.073 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.857 -3.934 -4.536 1.00 0.00 H new ATOM 0 HG SER A 71 -17.237 -6.208 -4.292 1.00 0.00 H new ATOM 1130 N ASP A 72 -19.686 -1.492 -4.903 1.00 0.00 N ATOM 1131 CA ASP A 72 -20.073 -0.442 -3.933 1.00 0.00 C ATOM 1132 C ASP A 72 -21.155 -0.868 -2.916 1.00 0.00 C ATOM 1133 O ASP A 72 -21.267 -0.272 -1.842 1.00 0.00 O ATOM 1134 CB ASP A 72 -20.546 0.802 -4.716 1.00 0.00 C ATOM 1135 CG ASP A 72 -21.035 1.974 -3.841 1.00 0.00 C ATOM 1136 OD1 ASP A 72 -20.193 2.686 -3.239 1.00 0.00 O ATOM 1137 OD2 ASP A 72 -22.269 2.211 -3.783 1.00 0.00 O ATOM 0 H ASP A 72 -19.792 -1.187 -5.871 1.00 0.00 H new ATOM 0 HA ASP A 72 -19.187 -0.229 -3.334 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -19.725 1.153 -5.342 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -21.354 0.506 -5.386 1.00 0.00 H new ATOM 1142 N ASP A 73 -21.953 -1.890 -3.258 1.00 0.00 N ATOM 1143 CA ASP A 73 -23.132 -2.320 -2.480 1.00 0.00 C ATOM 1144 C ASP A 73 -22.841 -2.985 -1.129 1.00 0.00 C ATOM 1145 O ASP A 73 -23.665 -2.961 -0.207 1.00 0.00 O ATOM 1146 CB ASP A 73 -24.045 -3.192 -3.341 1.00 0.00 C ATOM 1147 CG ASP A 73 -25.431 -3.459 -2.708 1.00 0.00 C ATOM 1148 OD1 ASP A 73 -26.268 -2.520 -2.672 1.00 0.00 O ATOM 1149 OD2 ASP A 73 -25.695 -4.609 -2.290 1.00 0.00 O ATOM 0 H ASP A 73 -21.798 -2.452 -4.095 1.00 0.00 H new ATOM 0 HA ASP A 73 -23.639 -1.394 -2.208 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -24.185 -2.711 -4.309 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -23.551 -4.146 -3.527 1.00 0.00 H new ATOM 1154 N GLU A 74 -21.632 -3.529 -1.016 1.00 0.00 N ATOM 1155 CA GLU A 74 -20.999 -4.189 0.146 1.00 0.00 C ATOM 1156 C GLU A 74 -21.928 -5.090 0.982 1.00 0.00 C ATOM 1157 O GLU A 74 -21.856 -5.154 2.214 1.00 0.00 O ATOM 1158 CB GLU A 74 -20.213 -3.161 0.973 1.00 0.00 C ATOM 1159 CG GLU A 74 -18.998 -2.626 0.211 1.00 0.00 C ATOM 1160 CD GLU A 74 -18.147 -1.654 1.025 1.00 0.00 C ATOM 1161 OE1 GLU A 74 -18.442 -1.407 2.216 1.00 0.00 O ATOM 1162 OE2 GLU A 74 -17.141 -1.167 0.457 1.00 0.00 O ATOM 0 H GLU A 74 -20.997 -3.523 -1.814 1.00 0.00 H new ATOM 0 HA GLU A 74 -20.291 -4.913 -0.257 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -20.868 -2.332 1.240 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -19.884 -3.620 1.905 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -18.377 -3.465 -0.102 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -19.339 -2.126 -0.696 1.00 0.00 H new ATOM 1169 N VAL A 75 -22.778 -5.820 0.262 1.00 0.00 N ATOM 1170 CA VAL A 75 -23.503 -7.026 0.703 1.00 0.00 C ATOM 1171 C VAL A 75 -23.412 -8.068 -0.414 1.00 0.00 C ATOM 1172 O VAL A 75 -23.594 -7.735 -1.586 1.00 0.00 O ATOM 1173 CB VAL A 75 -25.001 -6.760 1.000 1.00 0.00 C ATOM 1174 CG1 VAL A 75 -25.749 -8.055 1.363 1.00 0.00 C ATOM 1175 CG2 VAL A 75 -25.184 -5.781 2.171 1.00 0.00 C ATOM 0 H VAL A 75 -22.997 -5.577 -0.704 1.00 0.00 H new ATOM 0 HA VAL A 75 -23.043 -7.368 1.630 1.00 0.00 H new ATOM 0 HB VAL A 75 -25.411 -6.333 0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -26.796 -7.826 1.564 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -25.684 -8.758 0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -25.298 -8.499 2.250 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -26.247 -5.620 2.348 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -24.726 -6.197 3.068 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -24.709 -4.830 1.928 1.00 0.00 H new ATOM 1185 N GLU A 76 -23.174 -9.329 -0.022 1.00 0.00 N ATOM 1186 CA GLU A 76 -23.194 -10.604 -0.774 1.00 0.00 C ATOM 1187 C GLU A 76 -22.294 -10.752 -2.019 1.00 0.00 C ATOM 1188 O GLU A 76 -21.751 -11.832 -2.242 1.00 0.00 O ATOM 1189 CB GLU A 76 -24.636 -11.049 -1.051 1.00 0.00 C ATOM 1190 CG GLU A 76 -25.302 -10.377 -2.246 1.00 0.00 C ATOM 1191 CD GLU A 76 -26.593 -11.105 -2.596 1.00 0.00 C ATOM 1192 OE1 GLU A 76 -27.644 -10.768 -2.006 1.00 0.00 O ATOM 1193 OE2 GLU A 76 -26.559 -12.000 -3.469 1.00 0.00 O ATOM 0 H GLU A 76 -22.932 -9.506 0.953 1.00 0.00 H new ATOM 0 HA GLU A 76 -22.700 -11.288 -0.084 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -24.643 -12.127 -1.210 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -25.237 -10.854 -0.163 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -25.514 -9.333 -2.016 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -24.627 -10.384 -3.102 1.00 0.00 H new ATOM 1200 N GLU A 77 -22.086 -9.681 -2.785 1.00 0.00 N ATOM 1201 CA GLU A 77 -21.038 -9.539 -3.822 1.00 0.00 C ATOM 1202 C GLU A 77 -19.669 -9.326 -3.176 1.00 0.00 C ATOM 1203 O GLU A 77 -18.642 -9.799 -3.658 1.00 0.00 O ATOM 1204 CB GLU A 77 -21.298 -8.345 -4.758 1.00 0.00 C ATOM 1205 CG GLU A 77 -22.677 -8.429 -5.396 1.00 0.00 C ATOM 1206 CD GLU A 77 -22.800 -7.419 -6.527 1.00 0.00 C ATOM 1207 OE1 GLU A 77 -23.203 -6.268 -6.257 1.00 0.00 O ATOM 1208 OE2 GLU A 77 -22.517 -7.791 -7.687 1.00 0.00 O ATOM 0 H GLU A 77 -22.665 -8.845 -2.704 1.00 0.00 H new ATOM 0 HA GLU A 77 -21.059 -10.462 -4.402 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -21.212 -7.415 -4.196 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -20.536 -8.319 -5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -22.847 -9.435 -5.778 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -23.444 -8.239 -4.645 1.00 0.00 H new ATOM 1215 N SER A 78 -19.718 -8.651 -2.029 1.00 0.00 N ATOM 1216 CA SER A 78 -18.691 -8.577 -0.998 1.00 0.00 C ATOM 1217 C SER A 78 -19.351 -8.470 0.390 1.00 0.00 C ATOM 1218 O SER A 78 -20.433 -7.897 0.526 1.00 0.00 O ATOM 1219 CB SER A 78 -17.774 -7.374 -1.248 1.00 0.00 C ATOM 1220 OG SER A 78 -18.500 -6.179 -1.480 1.00 0.00 O ATOM 0 H SER A 78 -20.540 -8.101 -1.780 1.00 0.00 H new ATOM 0 HA SER A 78 -18.087 -9.484 -1.032 1.00 0.00 H new ATOM 0 HB2 SER A 78 -17.118 -7.236 -0.388 1.00 0.00 H new ATOM 0 HB3 SER A 78 -17.135 -7.580 -2.107 1.00 0.00 H new ATOM 0 HG SER A 78 -18.397 -5.910 -2.417 1.00 0.00 H new ATOM 1226 N PHE A 79 -18.739 -9.068 1.415 1.00 0.00 N ATOM 1227 CA PHE A 79 -19.336 -9.264 2.744 1.00 0.00 C ATOM 1228 C PHE A 79 -18.273 -9.340 3.868 1.00 0.00 C ATOM 1229 O PHE A 79 -18.640 -9.064 5.037 1.00 0.00 O ATOM 1230 CB PHE A 79 -20.223 -10.525 2.732 1.00 0.00 C ATOM 1231 CG PHE A 79 -19.557 -11.797 2.235 1.00 0.00 C ATOM 1232 CD1 PHE A 79 -18.855 -12.632 3.128 1.00 0.00 C ATOM 1233 CD2 PHE A 79 -19.654 -12.162 0.876 1.00 0.00 C ATOM 1234 CE1 PHE A 79 -18.255 -13.814 2.662 1.00 0.00 C ATOM 1235 CE2 PHE A 79 -19.043 -13.339 0.412 1.00 0.00 C ATOM 1236 CZ PHE A 79 -18.347 -14.169 1.304 1.00 0.00 C ATOM 1237 OXT PHE A 79 -17.095 -9.659 3.589 1.00 0.00 O ATOM 0 H PHE A 79 -17.792 -9.439 1.345 1.00 0.00 H new ATOM 0 HA PHE A 79 -19.951 -8.392 2.965 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -20.587 -10.700 3.744 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -21.095 -10.327 2.109 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -18.778 -12.363 4.171 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -20.201 -11.534 0.189 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -17.721 -14.453 3.350 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -19.109 -13.605 -0.633 1.00 0.00 H new ATOM 0 HZ PHE A 79 -17.883 -15.078 0.949 1.00 0.00 H new TER 1247 PHE A 79