USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 504 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 145 SER OG : rot 92:sc= -0.548 USER MOD Set 1.2: A 146 GLN : amide:sc= -2.49! C(o=-3!,f=-6.5!) USER MOD Set 2.1: A 142 SER OG : rot 112:sc= -0.546! USER MOD Set 2.2: A 151 THR OG1 : rot -142:sc= 0.996 USER MOD Set 3.1: A 135 HIS : no HD1:sc= -1.13 K(o=-1.7,f=-7.2!) USER MOD Set 3.2: A 159 ASN : amide:sc= -0.532 K(o=-1.7,f=-4) USER MOD Set 4.1: A 100 SER OG : rot 171:sc= 0.885 USER MOD Set 4.2: A 102 SER OG : rot 80:sc= 1.03 USER MOD Single : A 101 LYS NZ :NH3+ -165:sc= -0.0327 (180deg=-0.29) USER MOD Single : A 103 TYR OH : rot 130:sc= -0.0948 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -2 K(o=-2,f=-7.9!) USER MOD Single : A 110 LYS NZ :NH3+ -168:sc= -0.0275 (180deg=-0.22) USER MOD Single : A 114 THR OG1 : rot -24:sc= 0.472 USER MOD Single : A 139 SER OG : rot 126:sc= 0.444 USER MOD Single : A 140 SER OG : rot 180:sc= -0.663 USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 SER OG : rot 68:sc= 0.913 USER MOD Single : A 153 LYS NZ :NH3+ -148:sc= 1.25 (180deg=0.532) USER MOD Single : A 155 HIS : no HD1:sc= -0.326 K(o=-0.33,f=-1) USER MOD Single : A 157 GLN : amide:sc= -0.551 X(o=-0.55,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 92 25.162 0.312 -14.654 1.00 0.00 N ATOM 2 CA GLU A 92 25.591 1.087 -13.460 1.00 0.00 C ATOM 3 C GLU A 92 24.413 1.373 -12.533 1.00 0.00 C ATOM 4 O GLU A 92 24.516 1.211 -11.317 1.00 0.00 O ATOM 5 CB GLU A 92 26.231 2.395 -13.931 1.00 0.00 C ATOM 6 CG GLU A 92 25.348 3.208 -14.866 1.00 0.00 C ATOM 7 CD GLU A 92 25.998 4.507 -15.301 1.00 0.00 C ATOM 8 OE1 GLU A 92 27.135 4.781 -14.861 1.00 0.00 O ATOM 9 OE2 GLU A 92 25.368 5.253 -16.081 1.00 0.00 O ATOM 0 HA GLU A 92 26.314 0.501 -12.893 1.00 0.00 H new ATOM 0 HB2 GLU A 92 26.478 3.002 -13.060 1.00 0.00 H new ATOM 0 HB3 GLU A 92 27.169 2.168 -14.438 1.00 0.00 H new ATOM 0 HG2 GLU A 92 25.112 2.611 -15.747 1.00 0.00 H new ATOM 0 HG3 GLU A 92 24.404 3.428 -14.368 1.00 0.00 H new ATOM 18 N ALA A 93 23.296 1.797 -13.114 1.00 0.00 N ATOM 19 CA ALA A 93 22.099 2.102 -12.338 1.00 0.00 C ATOM 20 C ALA A 93 21.598 0.865 -11.600 1.00 0.00 C ATOM 21 O ALA A 93 21.211 0.939 -10.435 1.00 0.00 O ATOM 22 CB ALA A 93 21.010 2.659 -13.242 1.00 0.00 C ATOM 0 H ALA A 93 23.194 1.937 -14.119 1.00 0.00 H new ATOM 0 HA ALA A 93 22.358 2.857 -11.596 1.00 0.00 H new ATOM 0 HB1 ALA A 93 20.123 2.882 -12.649 1.00 0.00 H new ATOM 0 HB2 ALA A 93 21.365 3.572 -13.720 1.00 0.00 H new ATOM 0 HB3 ALA A 93 20.760 1.923 -14.006 1.00 0.00 H new ATOM 28 N GLU A 94 21.612 -0.272 -12.293 1.00 0.00 N ATOM 29 CA GLU A 94 21.162 -1.533 -11.712 1.00 0.00 C ATOM 30 C GLU A 94 19.726 -1.423 -11.212 1.00 0.00 C ATOM 31 O GLU A 94 19.403 -1.887 -10.117 1.00 0.00 O ATOM 32 CB GLU A 94 22.086 -1.953 -10.567 1.00 0.00 C ATOM 33 CG GLU A 94 23.526 -2.177 -11.000 1.00 0.00 C ATOM 34 CD GLU A 94 24.412 -2.642 -9.860 1.00 0.00 C ATOM 35 OE1 GLU A 94 24.127 -3.715 -9.287 1.00 0.00 O ATOM 36 OE2 GLU A 94 25.390 -1.935 -9.541 1.00 0.00 O ATOM 0 H GLU A 94 21.931 -0.345 -13.259 1.00 0.00 H new ATOM 0 HA GLU A 94 21.196 -2.294 -12.492 1.00 0.00 H new ATOM 0 HB2 GLU A 94 22.063 -1.186 -9.792 1.00 0.00 H new ATOM 0 HB3 GLU A 94 21.703 -2.870 -10.119 1.00 0.00 H new ATOM 0 HG2 GLU A 94 23.550 -2.918 -11.799 1.00 0.00 H new ATOM 0 HG3 GLU A 94 23.926 -1.250 -11.412 1.00 0.00 H new ATOM 43 N PHE A 95 18.867 -0.809 -12.025 1.00 0.00 N ATOM 44 CA PHE A 95 17.459 -0.634 -11.678 1.00 0.00 C ATOM 45 C PHE A 95 17.299 0.267 -10.457 1.00 0.00 C ATOM 46 O PHE A 95 17.971 0.084 -9.441 1.00 0.00 O ATOM 47 CB PHE A 95 16.801 -1.993 -11.413 1.00 0.00 C ATOM 48 CG PHE A 95 15.366 -1.897 -10.978 1.00 0.00 C ATOM 49 CD1 PHE A 95 14.436 -1.213 -11.746 1.00 0.00 C ATOM 50 CD2 PHE A 95 14.946 -2.494 -9.800 1.00 0.00 C ATOM 51 CE1 PHE A 95 13.116 -1.126 -11.347 1.00 0.00 C ATOM 52 CE2 PHE A 95 13.626 -2.410 -9.396 1.00 0.00 C ATOM 53 CZ PHE A 95 12.711 -1.726 -10.170 1.00 0.00 C ATOM 0 H PHE A 95 19.125 -0.423 -12.933 1.00 0.00 H new ATOM 0 HA PHE A 95 16.965 -0.156 -12.524 1.00 0.00 H new ATOM 0 HB2 PHE A 95 16.857 -2.596 -12.319 1.00 0.00 H new ATOM 0 HB3 PHE A 95 17.369 -2.518 -10.645 1.00 0.00 H new ATOM 0 HD1 PHE A 95 14.747 -0.743 -12.667 1.00 0.00 H new ATOM 0 HD2 PHE A 95 15.658 -3.031 -9.190 1.00 0.00 H new ATOM 0 HE1 PHE A 95 12.402 -0.590 -11.954 1.00 0.00 H new ATOM 0 HE2 PHE A 95 13.312 -2.879 -8.476 1.00 0.00 H new ATOM 0 HZ PHE A 95 11.680 -1.660 -9.856 1.00 0.00 H new ATOM 63 N VAL A 96 16.396 1.238 -10.559 1.00 0.00 N ATOM 64 CA VAL A 96 16.143 2.160 -9.460 1.00 0.00 C ATOM 65 C VAL A 96 15.562 1.423 -8.258 1.00 0.00 C ATOM 66 O VAL A 96 14.679 0.578 -8.404 1.00 0.00 O ATOM 67 CB VAL A 96 15.177 3.288 -9.881 1.00 0.00 C ATOM 68 CG1 VAL A 96 15.787 4.124 -10.996 1.00 0.00 C ATOM 69 CG2 VAL A 96 13.835 2.715 -10.308 1.00 0.00 C ATOM 0 H VAL A 96 15.829 1.405 -11.390 1.00 0.00 H new ATOM 0 HA VAL A 96 17.100 2.603 -9.185 1.00 0.00 H new ATOM 0 HB VAL A 96 15.010 3.936 -9.021 1.00 0.00 H new ATOM 0 HG11 VAL A 96 15.092 4.914 -11.280 1.00 0.00 H new ATOM 0 HG12 VAL A 96 16.720 4.568 -10.649 1.00 0.00 H new ATOM 0 HG13 VAL A 96 15.987 3.489 -11.859 1.00 0.00 H new ATOM 0 HG21 VAL A 96 13.169 3.527 -10.601 1.00 0.00 H new ATOM 0 HG22 VAL A 96 13.979 2.042 -11.153 1.00 0.00 H new ATOM 0 HG23 VAL A 96 13.393 2.165 -9.477 1.00 0.00 H new ATOM 79 N ARG A 97 16.069 1.740 -7.071 1.00 0.00 N ATOM 80 CA ARG A 97 15.601 1.099 -5.846 1.00 0.00 C ATOM 81 C ARG A 97 14.145 1.452 -5.561 1.00 0.00 C ATOM 82 O ARG A 97 13.393 1.793 -6.471 1.00 0.00 O ATOM 83 CB ARG A 97 16.475 1.507 -4.653 1.00 0.00 C ATOM 84 CG ARG A 97 16.383 2.984 -4.285 1.00 0.00 C ATOM 85 CD ARG A 97 17.106 3.868 -5.290 1.00 0.00 C ATOM 86 NE ARG A 97 17.001 5.282 -4.946 1.00 0.00 N ATOM 87 CZ ARG A 97 17.578 6.258 -5.642 1.00 0.00 C ATOM 88 NH1 ARG A 97 18.308 5.970 -6.711 1.00 0.00 N ATOM 89 NH2 ARG A 97 17.426 7.520 -5.268 1.00 0.00 N ATOM 0 H ARG A 97 16.802 2.435 -6.931 1.00 0.00 H new ATOM 0 HA ARG A 97 15.675 0.021 -5.990 1.00 0.00 H new ATOM 0 HB2 ARG A 97 16.189 0.910 -3.787 1.00 0.00 H new ATOM 0 HB3 ARG A 97 17.514 1.265 -4.878 1.00 0.00 H new ATOM 0 HG2 ARG A 97 15.335 3.279 -4.230 1.00 0.00 H new ATOM 0 HG3 ARG A 97 16.810 3.138 -3.294 1.00 0.00 H new ATOM 0 HD2 ARG A 97 18.157 3.582 -5.335 1.00 0.00 H new ATOM 0 HD3 ARG A 97 16.689 3.704 -6.284 1.00 0.00 H new ATOM 0 HE ARG A 97 16.453 5.537 -4.124 1.00 0.00 H new ATOM 0 HH11 ARG A 97 18.428 4.999 -7.000 1.00 0.00 H new ATOM 0 HH12 ARG A 97 18.750 6.719 -7.244 1.00 0.00 H new ATOM 0 HH21 ARG A 97 16.866 7.744 -4.445 1.00 0.00 H new ATOM 0 HH22 ARG A 97 17.869 8.267 -5.803 1.00 0.00 H new ATOM 103 N ILE A 98 13.778 1.363 -4.283 1.00 0.00 N ATOM 104 CA ILE A 98 12.425 1.662 -3.800 1.00 0.00 C ATOM 105 C ILE A 98 11.340 0.915 -4.574 1.00 0.00 C ATOM 106 O ILE A 98 11.341 0.866 -5.803 1.00 0.00 O ATOM 107 CB ILE A 98 12.109 3.178 -3.813 1.00 0.00 C ATOM 108 CG1 ILE A 98 11.882 3.694 -5.237 1.00 0.00 C ATOM 109 CG2 ILE A 98 13.233 3.953 -3.144 1.00 0.00 C ATOM 110 CD1 ILE A 98 11.510 5.158 -5.300 1.00 0.00 C ATOM 0 H ILE A 98 14.418 1.078 -3.542 1.00 0.00 H new ATOM 0 HA ILE A 98 12.415 1.312 -2.768 1.00 0.00 H new ATOM 0 HB ILE A 98 11.186 3.332 -3.254 1.00 0.00 H new ATOM 0 HG12 ILE A 98 12.788 3.533 -5.821 1.00 0.00 H new ATOM 0 HG13 ILE A 98 11.092 3.107 -5.705 1.00 0.00 H new ATOM 0 HG21 ILE A 98 13.000 5.018 -3.159 1.00 0.00 H new ATOM 0 HG22 ILE A 98 13.341 3.620 -2.112 1.00 0.00 H new ATOM 0 HG23 ILE A 98 14.165 3.778 -3.681 1.00 0.00 H new ATOM 0 HD11 ILE A 98 11.365 5.452 -6.339 1.00 0.00 H new ATOM 0 HD12 ILE A 98 10.587 5.323 -4.744 1.00 0.00 H new ATOM 0 HD13 ILE A 98 12.309 5.756 -4.862 1.00 0.00 H new ATOM 122 N CYS A 99 10.400 0.347 -3.830 1.00 0.00 N ATOM 123 CA CYS A 99 9.287 -0.382 -4.423 1.00 0.00 C ATOM 124 C CYS A 99 8.444 0.543 -5.293 1.00 0.00 C ATOM 125 O CYS A 99 8.165 1.681 -4.908 1.00 0.00 O ATOM 126 CB CYS A 99 8.431 -0.997 -3.316 1.00 0.00 C ATOM 127 SG CYS A 99 8.134 0.129 -1.917 1.00 0.00 S ATOM 0 H CYS A 99 10.387 0.378 -2.811 1.00 0.00 H new ATOM 0 HA CYS A 99 9.681 -1.178 -5.056 1.00 0.00 H new ATOM 0 HB2 CYS A 99 7.473 -1.302 -3.736 1.00 0.00 H new ATOM 0 HB3 CYS A 99 8.920 -1.899 -2.948 1.00 0.00 H new ATOM 132 N SER A 100 8.052 0.054 -6.468 1.00 0.00 N ATOM 133 CA SER A 100 7.246 0.840 -7.403 1.00 0.00 C ATOM 134 C SER A 100 6.183 1.651 -6.670 1.00 0.00 C ATOM 135 O SER A 100 5.413 1.112 -5.875 1.00 0.00 O ATOM 136 CB SER A 100 6.584 -0.078 -8.432 1.00 0.00 C ATOM 137 OG SER A 100 5.806 0.666 -9.353 1.00 0.00 O ATOM 0 H SER A 100 8.279 -0.884 -6.797 1.00 0.00 H new ATOM 0 HA SER A 100 7.911 1.535 -7.916 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.349 -0.640 -8.968 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.953 -0.805 -7.922 1.00 0.00 H new ATOM 0 HG SER A 100 5.513 0.080 -10.082 1.00 0.00 H new ATOM 143 N LYS A 101 6.149 2.953 -6.940 1.00 0.00 N ATOM 144 CA LYS A 101 5.184 3.843 -6.303 1.00 0.00 C ATOM 145 C LYS A 101 3.800 3.707 -6.932 1.00 0.00 C ATOM 146 O LYS A 101 2.926 4.546 -6.714 1.00 0.00 O ATOM 147 CB LYS A 101 5.665 5.291 -6.395 1.00 0.00 C ATOM 148 CG LYS A 101 6.946 5.557 -5.619 1.00 0.00 C ATOM 149 CD LYS A 101 7.392 7.003 -5.756 1.00 0.00 C ATOM 150 CE LYS A 101 8.646 7.280 -4.941 1.00 0.00 C ATOM 151 NZ LYS A 101 8.426 7.049 -3.486 1.00 0.00 N ATOM 0 H LYS A 101 6.779 3.415 -7.596 1.00 0.00 H new ATOM 0 HA LYS A 101 5.104 3.557 -5.254 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.825 5.546 -7.443 1.00 0.00 H new ATOM 0 HB3 LYS A 101 4.881 5.950 -6.023 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.790 5.322 -4.566 1.00 0.00 H new ATOM 0 HG3 LYS A 101 7.735 4.897 -5.980 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.582 7.228 -6.805 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.590 7.665 -5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.455 6.640 -5.292 1.00 0.00 H new ATOM 0 HE3 LYS A 101 8.963 8.311 -5.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 9.201 7.482 -2.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.522 7.477 -3.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 8.401 6.027 -3.297 1.00 0.00 H new ATOM 165 N SER A 102 3.602 2.639 -7.700 1.00 0.00 N ATOM 166 CA SER A 102 2.318 2.391 -8.347 1.00 0.00 C ATOM 167 C SER A 102 1.258 2.040 -7.309 1.00 0.00 C ATOM 168 O SER A 102 0.104 2.459 -7.413 1.00 0.00 O ATOM 169 CB SER A 102 2.445 1.260 -9.368 1.00 0.00 C ATOM 170 OG SER A 102 3.382 1.586 -10.380 1.00 0.00 O ATOM 0 H SER A 102 4.313 1.933 -7.889 1.00 0.00 H new ATOM 0 HA SER A 102 2.014 3.300 -8.866 1.00 0.00 H new ATOM 0 HB2 SER A 102 2.754 0.344 -8.864 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.472 1.063 -9.819 1.00 0.00 H new ATOM 0 HG SER A 102 4.290 1.431 -10.047 1.00 0.00 H new ATOM 176 N TYR A 103 1.666 1.266 -6.308 1.00 0.00 N ATOM 177 CA TYR A 103 0.769 0.846 -5.236 1.00 0.00 C ATOM 178 C TYR A 103 0.130 2.043 -4.540 1.00 0.00 C ATOM 179 O TYR A 103 -1.015 1.971 -4.094 1.00 0.00 O ATOM 180 CB TYR A 103 1.528 -0.005 -4.214 1.00 0.00 C ATOM 181 CG TYR A 103 1.845 -1.408 -4.688 1.00 0.00 C ATOM 182 CD1 TYR A 103 2.338 -1.645 -5.967 1.00 0.00 C ATOM 183 CD2 TYR A 103 1.648 -2.497 -3.850 1.00 0.00 C ATOM 184 CE1 TYR A 103 2.623 -2.928 -6.395 1.00 0.00 C ATOM 185 CE2 TYR A 103 1.931 -3.783 -4.270 1.00 0.00 C ATOM 186 CZ TYR A 103 2.418 -3.993 -5.543 1.00 0.00 C ATOM 187 OH TYR A 103 2.701 -5.271 -5.965 1.00 0.00 O ATOM 0 H TYR A 103 2.619 0.915 -6.217 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.027 0.251 -5.684 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.460 0.499 -3.958 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.938 -0.067 -3.300 1.00 0.00 H new ATOM 0 HD1 TYR A 103 2.501 -0.813 -6.636 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.267 -2.337 -2.852 1.00 0.00 H new ATOM 0 HE1 TYR A 103 3.004 -3.096 -7.391 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.772 -4.619 -3.605 1.00 0.00 H new ATOM 0 HH TYR A 103 3.259 -5.720 -5.296 1.00 0.00 H new ATOM 197 N LEU A 104 0.879 3.137 -4.439 1.00 0.00 N ATOM 198 CA LEU A 104 0.387 4.347 -3.784 1.00 0.00 C ATOM 199 C LEU A 104 -0.622 5.092 -4.658 1.00 0.00 C ATOM 200 O LEU A 104 -0.626 6.322 -4.699 1.00 0.00 O ATOM 201 CB LEU A 104 1.554 5.274 -3.444 1.00 0.00 C ATOM 202 CG LEU A 104 2.616 4.671 -2.522 1.00 0.00 C ATOM 203 CD1 LEU A 104 3.731 5.675 -2.272 1.00 0.00 C ATOM 204 CD2 LEU A 104 1.994 4.224 -1.207 1.00 0.00 C ATOM 0 H LEU A 104 1.829 3.212 -4.802 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.119 4.042 -2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.034 5.583 -4.372 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.157 6.175 -2.975 1.00 0.00 H new ATOM 0 HG LEU A 104 3.042 3.796 -3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.479 5.232 -1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.196 5.946 -3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.318 6.568 -1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.766 3.798 -0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.541 5.081 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.230 3.472 -1.403 1.00 0.00 H new ATOM 216 N THR A 105 -1.480 4.348 -5.348 1.00 0.00 N ATOM 217 CA THR A 105 -2.489 4.953 -6.206 1.00 0.00 C ATOM 218 C THR A 105 -3.758 4.107 -6.238 1.00 0.00 C ATOM 219 O THR A 105 -3.751 2.980 -6.734 1.00 0.00 O ATOM 220 CB THR A 105 -1.967 5.134 -7.644 1.00 0.00 C ATOM 221 OG1 THR A 105 -0.770 5.922 -7.636 1.00 0.00 O ATOM 222 CG2 THR A 105 -3.013 5.807 -8.519 1.00 0.00 C ATOM 0 H THR A 105 -1.496 3.328 -5.329 1.00 0.00 H new ATOM 0 HA THR A 105 -2.719 5.932 -5.786 1.00 0.00 H new ATOM 0 HB THR A 105 -1.751 4.147 -8.054 1.00 0.00 H new ATOM 0 HG1 THR A 105 -0.444 6.031 -8.554 1.00 0.00 H new ATOM 0 HG21 THR A 105 -2.621 5.924 -9.529 1.00 0.00 H new ATOM 0 HG22 THR A 105 -3.913 5.193 -8.547 1.00 0.00 H new ATOM 0 HG23 THR A 105 -3.255 6.787 -8.108 1.00 0.00 H new ATOM 230 N LEU A 106 -4.845 4.659 -5.710 1.00 0.00 N ATOM 231 CA LEU A 106 -6.125 3.959 -5.681 1.00 0.00 C ATOM 232 C LEU A 106 -7.287 4.932 -5.854 1.00 0.00 C ATOM 233 O LEU A 106 -7.383 5.931 -5.140 1.00 0.00 O ATOM 234 CB LEU A 106 -6.279 3.186 -4.369 1.00 0.00 C ATOM 235 CG LEU A 106 -5.340 1.990 -4.207 1.00 0.00 C ATOM 236 CD1 LEU A 106 -5.497 1.373 -2.827 1.00 0.00 C ATOM 237 CD2 LEU A 106 -5.609 0.951 -5.285 1.00 0.00 C ATOM 0 H LEU A 106 -4.866 5.591 -5.295 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.142 3.255 -6.513 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.114 3.873 -3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.308 2.834 -4.291 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.314 2.342 -4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -4.821 0.523 -2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -5.257 2.116 -2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.525 1.036 -2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.932 0.107 -5.154 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.640 0.605 -5.207 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.449 1.396 -6.267 1.00 0.00 H new ATOM 249 N GLU A 107 -8.168 4.630 -6.801 1.00 0.00 N ATOM 250 CA GLU A 107 -9.329 5.473 -7.062 1.00 0.00 C ATOM 251 C GLU A 107 -10.460 5.157 -6.089 1.00 0.00 C ATOM 252 O GLU A 107 -11.625 5.070 -6.480 1.00 0.00 O ATOM 253 CB GLU A 107 -9.805 5.291 -8.507 1.00 0.00 C ATOM 254 CG GLU A 107 -10.138 3.851 -8.863 1.00 0.00 C ATOM 255 CD GLU A 107 -10.604 3.700 -10.297 1.00 0.00 C ATOM 256 OE1 GLU A 107 -9.828 4.044 -11.213 1.00 0.00 O ATOM 257 OE2 GLU A 107 -11.745 3.236 -10.505 1.00 0.00 O ATOM 0 H GLU A 107 -8.100 3.808 -7.401 1.00 0.00 H new ATOM 0 HA GLU A 107 -9.034 6.512 -6.917 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.687 5.910 -8.670 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.031 5.654 -9.184 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -9.258 3.228 -8.703 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -10.915 3.485 -8.192 1.00 0.00 H new ATOM 264 N ASN A 108 -10.105 4.988 -4.819 1.00 0.00 N ATOM 265 CA ASN A 108 -11.079 4.682 -3.778 1.00 0.00 C ATOM 266 C ASN A 108 -10.412 4.613 -2.408 1.00 0.00 C ATOM 267 O ASN A 108 -10.940 5.134 -1.425 1.00 0.00 O ATOM 268 CB ASN A 108 -11.796 3.361 -4.083 1.00 0.00 C ATOM 269 CG ASN A 108 -10.835 2.229 -4.390 1.00 0.00 C ATOM 270 OD1 ASN A 108 -10.014 1.850 -3.557 1.00 0.00 O ATOM 271 ND2 ASN A 108 -10.935 1.680 -5.595 1.00 0.00 N ATOM 0 H ASN A 108 -9.144 5.058 -4.485 1.00 0.00 H new ATOM 0 HA ASN A 108 -11.815 5.486 -3.761 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -12.416 3.084 -3.230 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -12.465 3.504 -4.931 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -10.316 0.913 -5.859 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -11.631 2.025 -6.256 1.00 0.00 H new ATOM 278 N GLY A 109 -9.251 3.967 -2.349 1.00 0.00 N ATOM 279 CA GLY A 109 -8.536 3.843 -1.093 1.00 0.00 C ATOM 280 C GLY A 109 -7.773 5.100 -0.727 1.00 0.00 C ATOM 281 O GLY A 109 -8.035 6.176 -1.264 1.00 0.00 O ATOM 0 H GLY A 109 -8.794 3.528 -3.148 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.244 3.609 -0.298 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -7.840 3.006 -1.157 1.00 0.00 H new ATOM 285 N LYS A 110 -6.823 4.957 0.189 1.00 0.00 N ATOM 286 CA LYS A 110 -6.007 6.080 0.635 1.00 0.00 C ATOM 287 C LYS A 110 -4.568 5.643 0.870 1.00 0.00 C ATOM 288 O LYS A 110 -3.630 6.331 0.473 1.00 0.00 O ATOM 289 CB LYS A 110 -6.588 6.686 1.916 1.00 0.00 C ATOM 290 CG LYS A 110 -5.772 7.843 2.473 1.00 0.00 C ATOM 291 CD LYS A 110 -5.663 8.985 1.475 1.00 0.00 C ATOM 292 CE LYS A 110 -4.804 10.116 2.016 1.00 0.00 C ATOM 293 NZ LYS A 110 -5.366 10.692 3.269 1.00 0.00 N ATOM 0 H LYS A 110 -6.598 4.070 0.639 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.014 6.837 -0.149 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -7.602 7.032 1.716 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -6.661 5.907 2.675 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.234 8.205 3.392 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -4.774 7.492 2.735 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -5.236 8.616 0.543 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.659 9.362 1.242 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -3.796 9.747 2.207 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -4.719 10.899 1.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -4.874 11.580 3.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -6.380 10.881 3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -5.237 10.017 4.050 1.00 0.00 H new ATOM 307 N VAL A 111 -4.425 4.488 1.517 1.00 0.00 N ATOM 308 CA VAL A 111 -3.130 3.886 1.835 1.00 0.00 C ATOM 309 C VAL A 111 -2.158 4.869 2.487 1.00 0.00 C ATOM 310 O VAL A 111 -1.794 5.893 1.909 1.00 0.00 O ATOM 311 CB VAL A 111 -2.483 3.220 0.603 1.00 0.00 C ATOM 312 CG1 VAL A 111 -2.196 4.220 -0.504 1.00 0.00 C ATOM 313 CG2 VAL A 111 -1.214 2.481 1.000 1.00 0.00 C ATOM 0 H VAL A 111 -5.218 3.934 1.841 1.00 0.00 H new ATOM 0 HA VAL A 111 -3.342 3.109 2.570 1.00 0.00 H new ATOM 0 HB VAL A 111 -3.201 2.501 0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.741 3.705 -1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.128 4.688 -0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -1.513 4.985 -0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.772 2.018 0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.504 3.185 1.435 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.456 1.710 1.732 1.00 0.00 H new ATOM 323 N PHE A 112 -1.735 4.535 3.702 1.00 0.00 N ATOM 324 CA PHE A 112 -0.799 5.367 4.448 1.00 0.00 C ATOM 325 C PHE A 112 0.638 5.054 4.042 1.00 0.00 C ATOM 326 O PHE A 112 1.110 3.933 4.222 1.00 0.00 O ATOM 327 CB PHE A 112 -0.979 5.143 5.955 1.00 0.00 C ATOM 328 CG PHE A 112 -2.302 5.621 6.493 1.00 0.00 C ATOM 329 CD1 PHE A 112 -3.490 5.303 5.852 1.00 0.00 C ATOM 330 CD2 PHE A 112 -2.355 6.389 7.646 1.00 0.00 C ATOM 331 CE1 PHE A 112 -4.703 5.740 6.348 1.00 0.00 C ATOM 332 CE2 PHE A 112 -3.566 6.830 8.147 1.00 0.00 C ATOM 333 CZ PHE A 112 -4.740 6.505 7.497 1.00 0.00 C ATOM 0 H PHE A 112 -2.028 3.690 4.192 1.00 0.00 H new ATOM 0 HA PHE A 112 -1.006 6.412 4.216 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.875 4.079 6.168 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -0.176 5.655 6.486 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -3.467 4.705 4.953 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -1.440 6.646 8.159 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -5.620 5.484 5.838 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.594 7.428 9.046 1.00 0.00 H new ATOM 0 HZ PHE A 112 -5.687 6.849 7.887 1.00 0.00 H new ATOM 343 N LEU A 113 1.325 6.049 3.494 1.00 0.00 N ATOM 344 CA LEU A 113 2.706 5.872 3.063 1.00 0.00 C ATOM 345 C LEU A 113 3.678 6.045 4.223 1.00 0.00 C ATOM 346 O LEU A 113 3.460 6.859 5.119 1.00 0.00 O ATOM 347 CB LEU A 113 3.050 6.860 1.945 1.00 0.00 C ATOM 348 CG LEU A 113 4.497 6.797 1.444 1.00 0.00 C ATOM 349 CD1 LEU A 113 4.836 5.398 0.950 1.00 0.00 C ATOM 350 CD2 LEU A 113 4.726 7.822 0.344 1.00 0.00 C ATOM 0 H LEU A 113 0.950 6.984 3.338 1.00 0.00 H new ATOM 0 HA LEU A 113 2.804 4.854 2.685 1.00 0.00 H new ATOM 0 HB2 LEU A 113 2.382 6.679 1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.848 7.871 2.300 1.00 0.00 H new ATOM 0 HG LEU A 113 5.158 7.033 2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.868 5.376 0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 113 4.715 4.685 1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 113 4.168 5.130 0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.759 7.763 0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.054 7.617 -0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.529 8.822 0.732 1.00 0.00 H new ATOM 362 N THR A 114 4.759 5.274 4.186 1.00 0.00 N ATOM 363 CA THR A 114 5.787 5.329 5.218 1.00 0.00 C ATOM 364 C THR A 114 7.098 4.771 4.672 1.00 0.00 C ATOM 365 O THR A 114 7.702 3.868 5.254 1.00 0.00 O ATOM 366 CB THR A 114 5.373 4.542 6.479 1.00 0.00 C ATOM 367 OG1 THR A 114 4.068 4.952 6.905 1.00 0.00 O ATOM 368 CG2 THR A 114 6.364 4.765 7.612 1.00 0.00 C ATOM 0 H THR A 114 4.947 4.598 3.446 1.00 0.00 H new ATOM 0 HA THR A 114 5.918 6.373 5.502 1.00 0.00 H new ATOM 0 HB THR A 114 5.363 3.482 6.226 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.883 5.855 6.571 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.048 4.199 8.488 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.354 4.430 7.301 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.401 5.826 7.859 1.00 0.00 H new ATOM 376 N GLY A 115 7.522 5.316 3.535 1.00 0.00 N ATOM 377 CA GLY A 115 8.745 4.877 2.902 1.00 0.00 C ATOM 378 C GLY A 115 8.846 5.366 1.473 1.00 0.00 C ATOM 379 O GLY A 115 8.166 4.855 0.584 1.00 0.00 O ATOM 0 H GLY A 115 7.032 6.061 3.040 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.600 5.241 3.472 1.00 0.00 H new ATOM 0 HA3 GLY A 115 8.792 3.788 2.918 1.00 0.00 H new ATOM 383 N GLY A 116 9.696 6.361 1.256 1.00 0.00 N ATOM 384 CA GLY A 116 9.871 6.911 -0.075 1.00 0.00 C ATOM 385 C GLY A 116 11.202 7.618 -0.244 1.00 0.00 C ATOM 386 O GLY A 116 11.661 8.316 0.660 1.00 0.00 O ATOM 0 H GLY A 116 10.268 6.798 1.979 1.00 0.00 H new ATOM 0 HA2 GLY A 116 9.794 6.108 -0.809 1.00 0.00 H new ATOM 0 HA3 GLY A 116 9.063 7.612 -0.284 1.00 0.00 H new ATOM 390 N ASP A 117 11.822 7.431 -1.407 1.00 0.00 N ATOM 391 CA ASP A 117 13.111 8.048 -1.708 1.00 0.00 C ATOM 392 C ASP A 117 14.195 7.558 -0.751 1.00 0.00 C ATOM 393 O ASP A 117 14.998 8.344 -0.252 1.00 0.00 O ATOM 394 CB ASP A 117 13.000 9.573 -1.639 1.00 0.00 C ATOM 395 CG ASP A 117 11.996 10.126 -2.632 1.00 0.00 C ATOM 396 OD1 ASP A 117 12.182 9.909 -3.847 1.00 0.00 O ATOM 397 OD2 ASP A 117 11.025 10.777 -2.193 1.00 0.00 O ATOM 0 H ASP A 117 11.449 6.853 -2.160 1.00 0.00 H new ATOM 0 HA ASP A 117 13.393 7.757 -2.720 1.00 0.00 H new ATOM 0 HB2 ASP A 117 12.710 9.868 -0.631 1.00 0.00 H new ATOM 0 HB3 ASP A 117 13.978 10.015 -1.831 1.00 0.00 H new ATOM 402 N LEU A 118 14.210 6.250 -0.504 1.00 0.00 N ATOM 403 CA LEU A 118 15.191 5.647 0.389 1.00 0.00 C ATOM 404 C LEU A 118 15.775 4.377 -0.224 1.00 0.00 C ATOM 405 O LEU A 118 15.081 3.640 -0.922 1.00 0.00 O ATOM 406 CB LEU A 118 14.554 5.334 1.741 1.00 0.00 C ATOM 407 CG LEU A 118 13.954 6.538 2.468 1.00 0.00 C ATOM 408 CD1 LEU A 118 13.336 6.108 3.789 1.00 0.00 C ATOM 409 CD2 LEU A 118 15.012 7.605 2.691 1.00 0.00 C ATOM 0 H LEU A 118 13.551 5.587 -0.912 1.00 0.00 H new ATOM 0 HA LEU A 118 16.002 6.361 0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 118 13.771 4.591 1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 118 15.308 4.879 2.384 1.00 0.00 H new ATOM 0 HG LEU A 118 13.167 6.962 1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 118 12.914 6.977 4.293 1.00 0.00 H new ATOM 0 HD12 LEU A 118 12.548 5.379 3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 118 14.103 5.659 4.420 1.00 0.00 H new ATOM 0 HD21 LEU A 118 14.568 8.455 3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 118 15.821 7.194 3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 118 15.407 7.933 1.729 1.00 0.00 H new ATOM 421 N PRO A 119 17.070 4.117 0.021 1.00 0.00 N ATOM 422 CA PRO A 119 17.764 2.943 -0.518 1.00 0.00 C ATOM 423 C PRO A 119 16.980 1.641 -0.368 1.00 0.00 C ATOM 424 O PRO A 119 17.041 0.983 0.672 1.00 0.00 O ATOM 425 CB PRO A 119 19.045 2.888 0.312 1.00 0.00 C ATOM 426 CG PRO A 119 19.315 4.306 0.675 1.00 0.00 C ATOM 427 CD PRO A 119 17.970 4.962 0.833 1.00 0.00 C ATOM 0 HA PRO A 119 17.921 3.037 -1.592 1.00 0.00 H new ATOM 0 HB2 PRO A 119 18.917 2.269 1.200 1.00 0.00 H new ATOM 0 HB3 PRO A 119 19.870 2.460 -0.258 1.00 0.00 H new ATOM 0 HG2 PRO A 119 19.890 4.369 1.599 1.00 0.00 H new ATOM 0 HG3 PRO A 119 19.901 4.801 -0.099 1.00 0.00 H new ATOM 0 HD2 PRO A 119 17.659 4.990 1.877 1.00 0.00 H new ATOM 0 HD3 PRO A 119 17.982 5.992 0.476 1.00 0.00 H new ATOM 435 N ALA A 120 16.271 1.268 -1.434 1.00 0.00 N ATOM 436 CA ALA A 120 15.492 0.029 -1.473 1.00 0.00 C ATOM 437 C ALA A 120 14.276 0.043 -0.544 1.00 0.00 C ATOM 438 O ALA A 120 13.280 -0.625 -0.827 1.00 0.00 O ATOM 439 CB ALA A 120 16.383 -1.163 -1.155 1.00 0.00 C ATOM 0 H ALA A 120 16.220 1.815 -2.294 1.00 0.00 H new ATOM 0 HA ALA A 120 15.103 -0.058 -2.488 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.792 -2.078 -1.187 1.00 0.00 H new ATOM 0 HB2 ALA A 120 17.186 -1.224 -1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 120 16.811 -1.042 -0.160 1.00 0.00 H new ATOM 445 N LEU A 121 14.353 0.777 0.565 1.00 0.00 N ATOM 446 CA LEU A 121 13.244 0.831 1.514 1.00 0.00 C ATOM 447 C LEU A 121 13.007 -0.531 2.156 1.00 0.00 C ATOM 448 O LEU A 121 11.884 -1.035 2.170 1.00 0.00 O ATOM 449 CB LEU A 121 11.965 1.317 0.830 1.00 0.00 C ATOM 450 CG LEU A 121 11.873 2.828 0.639 1.00 0.00 C ATOM 451 CD1 LEU A 121 10.681 3.183 -0.235 1.00 0.00 C ATOM 452 CD2 LEU A 121 11.771 3.517 1.990 1.00 0.00 C ATOM 0 H LEU A 121 15.164 1.337 0.826 1.00 0.00 H new ATOM 0 HA LEU A 121 13.513 1.541 2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 121 11.887 0.837 -0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 121 11.108 0.987 1.417 1.00 0.00 H new ATOM 0 HG LEU A 121 12.777 3.175 0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 121 10.631 4.265 -0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 121 10.791 2.709 -1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 121 9.765 2.830 0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 121 11.706 4.595 1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 121 10.880 3.167 2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 121 12.654 3.284 2.585 1.00 0.00 H new ATOM 464 N ASP A 122 14.075 -1.117 2.684 1.00 0.00 N ATOM 465 CA ASP A 122 13.995 -2.420 3.337 1.00 0.00 C ATOM 466 C ASP A 122 13.395 -2.283 4.736 1.00 0.00 C ATOM 467 O ASP A 122 13.963 -2.757 5.719 1.00 0.00 O ATOM 468 CB ASP A 122 15.385 -3.057 3.415 1.00 0.00 C ATOM 469 CG ASP A 122 15.351 -4.477 3.953 1.00 0.00 C ATOM 470 OD1 ASP A 122 14.242 -4.981 4.234 1.00 0.00 O ATOM 471 OD2 ASP A 122 16.433 -5.084 4.089 1.00 0.00 O ATOM 0 H ASP A 122 15.010 -0.710 2.673 1.00 0.00 H new ATOM 0 HA ASP A 122 13.345 -3.065 2.746 1.00 0.00 H new ATOM 0 HB2 ASP A 122 15.835 -3.060 2.422 1.00 0.00 H new ATOM 0 HB3 ASP A 122 16.024 -2.447 4.053 1.00 0.00 H new ATOM 476 N GLY A 123 12.244 -1.620 4.816 1.00 0.00 N ATOM 477 CA GLY A 123 11.583 -1.418 6.089 1.00 0.00 C ATOM 478 C GLY A 123 10.286 -0.647 5.945 1.00 0.00 C ATOM 479 O GLY A 123 9.419 -0.708 6.816 1.00 0.00 O ATOM 0 H GLY A 123 11.757 -1.218 4.015 1.00 0.00 H new ATOM 0 HA2 GLY A 123 11.380 -2.385 6.548 1.00 0.00 H new ATOM 0 HA3 GLY A 123 12.251 -0.880 6.762 1.00 0.00 H new ATOM 483 N ALA A 124 10.160 0.083 4.838 1.00 0.00 N ATOM 484 CA ALA A 124 8.967 0.879 4.563 1.00 0.00 C ATOM 485 C ALA A 124 7.693 0.069 4.786 1.00 0.00 C ATOM 486 O ALA A 124 7.678 -1.147 4.591 1.00 0.00 O ATOM 487 CB ALA A 124 9.012 1.411 3.140 1.00 0.00 C ATOM 0 H ALA A 124 10.875 0.139 4.113 1.00 0.00 H new ATOM 0 HA ALA A 124 8.953 1.718 5.259 1.00 0.00 H new ATOM 0 HB1 ALA A 124 8.118 2.003 2.945 1.00 0.00 H new ATOM 0 HB2 ALA A 124 9.896 2.036 3.013 1.00 0.00 H new ATOM 0 HB3 ALA A 124 9.054 0.576 2.441 1.00 0.00 H new ATOM 493 N ARG A 125 6.629 0.750 5.204 1.00 0.00 N ATOM 494 CA ARG A 125 5.350 0.090 5.462 1.00 0.00 C ATOM 495 C ARG A 125 4.183 0.966 5.011 1.00 0.00 C ATOM 496 O ARG A 125 4.208 2.183 5.180 1.00 0.00 O ATOM 497 CB ARG A 125 5.211 -0.223 6.954 1.00 0.00 C ATOM 498 CG ARG A 125 6.341 -1.074 7.513 1.00 0.00 C ATOM 499 CD ARG A 125 6.196 -1.275 9.014 1.00 0.00 C ATOM 500 NE ARG A 125 7.314 -2.026 9.582 1.00 0.00 N ATOM 501 CZ ARG A 125 7.593 -3.290 9.273 1.00 0.00 C ATOM 502 NH1 ARG A 125 6.827 -3.954 8.417 1.00 0.00 N ATOM 503 NH2 ARG A 125 8.638 -3.892 9.824 1.00 0.00 N ATOM 0 H ARG A 125 6.626 1.756 5.371 1.00 0.00 H new ATOM 0 HA ARG A 125 5.328 -0.839 4.892 1.00 0.00 H new ATOM 0 HB2 ARG A 125 5.166 0.714 7.509 1.00 0.00 H new ATOM 0 HB3 ARG A 125 4.265 -0.738 7.121 1.00 0.00 H new ATOM 0 HG2 ARG A 125 6.349 -2.043 7.014 1.00 0.00 H new ATOM 0 HG3 ARG A 125 7.297 -0.597 7.299 1.00 0.00 H new ATOM 0 HD2 ARG A 125 6.127 -0.304 9.504 1.00 0.00 H new ATOM 0 HD3 ARG A 125 5.265 -1.802 9.220 1.00 0.00 H new ATOM 0 HE ARG A 125 7.916 -1.553 10.256 1.00 0.00 H new ATOM 0 HH11 ARG A 125 6.020 -3.496 7.993 1.00 0.00 H new ATOM 0 HH12 ARG A 125 7.045 -4.923 8.183 1.00 0.00 H new ATOM 0 HH21 ARG A 125 9.228 -3.386 10.485 1.00 0.00 H new ATOM 0 HH22 ARG A 125 8.852 -4.861 9.587 1.00 0.00 H new ATOM 517 N VAL A 126 3.159 0.338 4.437 1.00 0.00 N ATOM 518 CA VAL A 126 1.985 1.066 3.967 1.00 0.00 C ATOM 519 C VAL A 126 0.697 0.378 4.410 1.00 0.00 C ATOM 520 O VAL A 126 0.579 -0.849 4.344 1.00 0.00 O ATOM 521 CB VAL A 126 1.978 1.201 2.434 1.00 0.00 C ATOM 522 CG1 VAL A 126 3.196 1.978 1.961 1.00 0.00 C ATOM 523 CG2 VAL A 126 1.919 -0.168 1.776 1.00 0.00 C ATOM 0 H VAL A 126 3.119 -0.670 4.287 1.00 0.00 H new ATOM 0 HA VAL A 126 2.036 2.061 4.410 1.00 0.00 H new ATOM 0 HB VAL A 126 1.087 1.756 2.141 1.00 0.00 H new ATOM 0 HG11 VAL A 126 3.174 2.063 0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 126 3.186 2.974 2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 126 4.102 1.454 2.265 1.00 0.00 H new ATOM 0 HG21 VAL A 126 1.915 -0.051 0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 126 2.789 -0.753 2.074 1.00 0.00 H new ATOM 0 HG23 VAL A 126 1.011 -0.683 2.089 1.00 0.00 H new ATOM 533 N GLU A 127 -0.265 1.175 4.864 1.00 0.00 N ATOM 534 CA GLU A 127 -1.546 0.647 5.322 1.00 0.00 C ATOM 535 C GLU A 127 -2.686 1.143 4.438 1.00 0.00 C ATOM 536 O GLU A 127 -3.168 2.264 4.604 1.00 0.00 O ATOM 537 CB GLU A 127 -1.797 1.066 6.771 1.00 0.00 C ATOM 538 CG GLU A 127 -3.075 0.489 7.360 1.00 0.00 C ATOM 539 CD GLU A 127 -3.308 0.931 8.791 1.00 0.00 C ATOM 540 OE1 GLU A 127 -3.416 2.153 9.025 1.00 0.00 O ATOM 541 OE2 GLU A 127 -3.383 0.055 9.678 1.00 0.00 O ATOM 0 H GLU A 127 -0.182 2.190 4.925 1.00 0.00 H new ATOM 0 HA GLU A 127 -1.508 -0.441 5.261 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -0.951 0.752 7.383 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -1.842 2.154 6.823 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -3.923 0.793 6.747 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -3.029 -0.599 7.323 1.00 0.00 H new ATOM 548 N PHE A 128 -3.120 0.305 3.502 1.00 0.00 N ATOM 549 CA PHE A 128 -4.208 0.671 2.602 1.00 0.00 C ATOM 550 C PHE A 128 -5.530 0.782 3.355 1.00 0.00 C ATOM 551 O PHE A 128 -5.834 -0.034 4.226 1.00 0.00 O ATOM 552 CB PHE A 128 -4.343 -0.342 1.462 1.00 0.00 C ATOM 553 CG PHE A 128 -3.139 -0.413 0.563 1.00 0.00 C ATOM 554 CD1 PHE A 128 -1.982 -1.052 0.980 1.00 0.00 C ATOM 555 CD2 PHE A 128 -3.165 0.161 -0.699 1.00 0.00 C ATOM 556 CE1 PHE A 128 -0.876 -1.119 0.156 1.00 0.00 C ATOM 557 CE2 PHE A 128 -2.060 0.097 -1.527 1.00 0.00 C ATOM 558 CZ PHE A 128 -0.915 -0.544 -1.099 1.00 0.00 C ATOM 0 H PHE A 128 -2.737 -0.628 3.347 1.00 0.00 H new ATOM 0 HA PHE A 128 -3.966 1.645 2.177 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.526 -1.329 1.886 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -5.217 -0.086 0.863 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -1.945 -1.503 1.961 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -4.058 0.664 -1.039 1.00 0.00 H new ATOM 0 HE1 PHE A 128 0.019 -1.621 0.493 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -2.093 0.548 -2.508 1.00 0.00 H new ATOM 0 HZ PHE A 128 -0.051 -0.596 -1.745 1.00 0.00 H new ATOM 568 N ARG A 129 -6.312 1.796 3.003 1.00 0.00 N ATOM 569 CA ARG A 129 -7.608 2.026 3.630 1.00 0.00 C ATOM 570 C ARG A 129 -8.613 2.522 2.597 1.00 0.00 C ATOM 571 O ARG A 129 -8.313 3.413 1.806 1.00 0.00 O ATOM 572 CB ARG A 129 -7.482 3.045 4.765 1.00 0.00 C ATOM 573 CG ARG A 129 -6.717 2.532 5.976 1.00 0.00 C ATOM 574 CD ARG A 129 -7.433 1.363 6.635 1.00 0.00 C ATOM 575 NE ARG A 129 -6.777 0.937 7.870 1.00 0.00 N ATOM 576 CZ ARG A 129 -6.675 1.701 8.956 1.00 0.00 C ATOM 577 NH1 ARG A 129 -7.193 2.922 8.966 1.00 0.00 N ATOM 578 NH2 ARG A 129 -6.059 1.240 10.036 1.00 0.00 N ATOM 0 H ARG A 129 -6.069 2.476 2.282 1.00 0.00 H new ATOM 0 HA ARG A 129 -7.961 1.082 4.045 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -6.984 3.937 4.385 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -8.481 3.347 5.080 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -5.717 2.222 5.671 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -6.595 3.339 6.699 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -8.463 1.646 6.852 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -7.473 0.525 5.939 1.00 0.00 H new ATOM 0 HE ARG A 129 -6.374 0.000 7.902 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -7.672 3.280 8.140 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -7.112 3.503 9.800 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -5.663 0.300 10.035 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -5.981 1.825 10.868 1.00 0.00 H new ATOM 592 N CYS A 130 -9.804 1.933 2.603 1.00 0.00 N ATOM 593 CA CYS A 130 -10.848 2.310 1.657 1.00 0.00 C ATOM 594 C CYS A 130 -11.708 3.443 2.210 1.00 0.00 C ATOM 595 O CYS A 130 -11.902 3.555 3.421 1.00 0.00 O ATOM 596 CB CYS A 130 -11.728 1.103 1.328 1.00 0.00 C ATOM 597 SG CYS A 130 -10.815 -0.341 0.690 1.00 0.00 S ATOM 0 H CYS A 130 -10.070 1.193 3.252 1.00 0.00 H new ATOM 0 HA CYS A 130 -10.363 2.660 0.745 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -12.270 0.807 2.227 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -12.473 1.402 0.591 1.00 0.00 H new ATOM 602 N ASP A 131 -12.215 4.282 1.310 1.00 0.00 N ATOM 603 CA ASP A 131 -13.054 5.413 1.693 1.00 0.00 C ATOM 604 C ASP A 131 -14.216 4.961 2.580 1.00 0.00 C ATOM 605 O ASP A 131 -14.637 3.808 2.518 1.00 0.00 O ATOM 606 CB ASP A 131 -13.590 6.120 0.446 1.00 0.00 C ATOM 607 CG ASP A 131 -14.348 5.184 -0.476 1.00 0.00 C ATOM 608 OD1 ASP A 131 -14.429 3.978 -0.164 1.00 0.00 O ATOM 609 OD2 ASP A 131 -14.858 5.657 -1.514 1.00 0.00 O ATOM 0 H ASP A 131 -12.058 4.198 0.306 1.00 0.00 H new ATOM 0 HA ASP A 131 -12.441 6.111 2.264 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -14.247 6.935 0.749 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -12.759 6.566 -0.099 1.00 0.00 H new ATOM 614 N PRO A 132 -14.736 5.872 3.429 1.00 0.00 N ATOM 615 CA PRO A 132 -15.848 5.576 4.349 1.00 0.00 C ATOM 616 C PRO A 132 -17.119 5.120 3.631 1.00 0.00 C ATOM 617 O PRO A 132 -18.100 5.862 3.553 1.00 0.00 O ATOM 618 CB PRO A 132 -16.095 6.910 5.068 1.00 0.00 C ATOM 619 CG PRO A 132 -15.447 7.942 4.211 1.00 0.00 C ATOM 620 CD PRO A 132 -14.275 7.263 3.567 1.00 0.00 C ATOM 0 HA PRO A 132 -15.595 4.753 5.017 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -17.161 7.105 5.181 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -15.665 6.903 6.069 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -16.142 8.319 3.460 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -15.125 8.797 4.805 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -14.032 7.706 2.601 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -13.379 7.332 4.184 1.00 0.00 H new ATOM 628 N ASP A 133 -17.093 3.893 3.120 1.00 0.00 N ATOM 629 CA ASP A 133 -18.234 3.316 2.418 1.00 0.00 C ATOM 630 C ASP A 133 -17.889 1.915 1.922 1.00 0.00 C ATOM 631 O ASP A 133 -18.714 1.004 1.974 1.00 0.00 O ATOM 632 CB ASP A 133 -18.660 4.198 1.243 1.00 0.00 C ATOM 633 CG ASP A 133 -19.936 3.704 0.589 1.00 0.00 C ATOM 634 OD1 ASP A 133 -20.967 3.619 1.289 1.00 0.00 O ATOM 635 OD2 ASP A 133 -19.907 3.406 -0.623 1.00 0.00 O ATOM 0 H ASP A 133 -16.285 3.274 3.180 1.00 0.00 H new ATOM 0 HA ASP A 133 -19.068 3.254 3.117 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -18.805 5.220 1.592 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -17.861 4.224 0.502 1.00 0.00 H new ATOM 640 N PHE A 134 -16.656 1.755 1.451 1.00 0.00 N ATOM 641 CA PHE A 134 -16.183 0.468 0.954 1.00 0.00 C ATOM 642 C PHE A 134 -15.202 -0.145 1.950 1.00 0.00 C ATOM 643 O PHE A 134 -14.369 0.557 2.519 1.00 0.00 O ATOM 644 CB PHE A 134 -15.498 0.627 -0.409 1.00 0.00 C ATOM 645 CG PHE A 134 -16.362 1.251 -1.471 1.00 0.00 C ATOM 646 CD1 PHE A 134 -16.765 2.573 -1.373 1.00 0.00 C ATOM 647 CD2 PHE A 134 -16.758 0.517 -2.577 1.00 0.00 C ATOM 648 CE1 PHE A 134 -17.549 3.150 -2.354 1.00 0.00 C ATOM 649 CE2 PHE A 134 -17.541 1.087 -3.563 1.00 0.00 C ATOM 650 CZ PHE A 134 -17.938 2.405 -3.450 1.00 0.00 C ATOM 0 H PHE A 134 -15.965 2.503 1.403 1.00 0.00 H new ATOM 0 HA PHE A 134 -17.044 -0.190 0.836 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -14.602 1.235 -0.283 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -15.171 -0.354 -0.754 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -16.462 3.160 -0.519 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -16.451 -0.514 -2.670 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -17.857 4.181 -2.264 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -17.842 0.503 -4.420 1.00 0.00 H new ATOM 0 HZ PHE A 134 -18.552 2.853 -4.218 1.00 0.00 H new ATOM 660 N HIS A 135 -15.306 -1.453 2.162 1.00 0.00 N ATOM 661 CA HIS A 135 -14.420 -2.139 3.096 1.00 0.00 C ATOM 662 C HIS A 135 -13.330 -2.910 2.356 1.00 0.00 C ATOM 663 O HIS A 135 -13.601 -3.608 1.377 1.00 0.00 O ATOM 664 CB HIS A 135 -15.220 -3.082 4.001 1.00 0.00 C ATOM 665 CG HIS A 135 -15.982 -4.136 3.259 1.00 0.00 C ATOM 666 ND1 HIS A 135 -16.938 -3.847 2.309 1.00 0.00 N ATOM 667 CD2 HIS A 135 -15.927 -5.488 3.337 1.00 0.00 C ATOM 668 CE1 HIS A 135 -17.440 -4.974 1.835 1.00 0.00 C ATOM 669 NE2 HIS A 135 -16.843 -5.983 2.442 1.00 0.00 N ATOM 0 H HIS A 135 -15.990 -2.056 1.704 1.00 0.00 H new ATOM 0 HA HIS A 135 -13.938 -1.384 3.717 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -14.537 -3.566 4.699 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -15.919 -2.493 4.595 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -15.283 -6.067 3.982 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -18.208 -5.056 1.080 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -17.032 -6.971 2.273 1.00 0.00 H new ATOM 678 N LEU A 136 -12.095 -2.770 2.832 1.00 0.00 N ATOM 679 CA LEU A 136 -10.951 -3.444 2.226 1.00 0.00 C ATOM 680 C LEU A 136 -10.923 -4.921 2.609 1.00 0.00 C ATOM 681 O LEU A 136 -11.078 -5.269 3.781 1.00 0.00 O ATOM 682 CB LEU A 136 -9.655 -2.752 2.654 1.00 0.00 C ATOM 683 CG LEU A 136 -8.369 -3.324 2.054 1.00 0.00 C ATOM 684 CD1 LEU A 136 -8.501 -3.489 0.548 1.00 0.00 C ATOM 685 CD2 LEU A 136 -7.189 -2.427 2.390 1.00 0.00 C ATOM 0 H LEU A 136 -11.861 -2.193 3.640 1.00 0.00 H new ATOM 0 HA LEU A 136 -11.044 -3.382 1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -9.722 -1.698 2.386 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -9.580 -2.800 3.740 1.00 0.00 H new ATOM 0 HG LEU A 136 -8.195 -4.309 2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -7.574 -3.897 0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -9.324 -4.169 0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -8.700 -2.519 0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -6.280 -2.845 1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.361 -1.431 1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -7.079 -2.361 3.472 1.00 0.00 H new ATOM 697 N VAL A 137 -10.741 -5.788 1.615 1.00 0.00 N ATOM 698 CA VAL A 137 -10.714 -7.228 1.854 1.00 0.00 C ATOM 699 C VAL A 137 -9.586 -7.912 1.082 1.00 0.00 C ATOM 700 O VAL A 137 -9.840 -8.703 0.173 1.00 0.00 O ATOM 701 CB VAL A 137 -12.053 -7.880 1.457 1.00 0.00 C ATOM 702 CG1 VAL A 137 -12.079 -9.349 1.855 1.00 0.00 C ATOM 703 CG2 VAL A 137 -13.220 -7.133 2.083 1.00 0.00 C ATOM 0 H VAL A 137 -10.611 -5.519 0.640 1.00 0.00 H new ATOM 0 HA VAL A 137 -10.542 -7.362 2.922 1.00 0.00 H new ATOM 0 HB VAL A 137 -12.151 -7.821 0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -13.034 -9.788 1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -11.269 -9.877 1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -11.953 -9.436 2.934 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -14.156 -7.609 1.790 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -13.126 -7.155 3.169 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -13.216 -6.099 1.739 1.00 0.00 H new ATOM 713 N GLY A 138 -8.340 -7.610 1.435 1.00 0.00 N ATOM 714 CA GLY A 138 -7.224 -8.227 0.741 1.00 0.00 C ATOM 715 C GLY A 138 -5.887 -7.930 1.383 1.00 0.00 C ATOM 716 O GLY A 138 -5.752 -7.976 2.605 1.00 0.00 O ATOM 0 H GLY A 138 -8.085 -6.959 2.178 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -7.374 -9.306 0.712 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -7.209 -7.879 -0.292 1.00 0.00 H new ATOM 720 N SER A 139 -4.898 -7.628 0.549 1.00 0.00 N ATOM 721 CA SER A 139 -3.559 -7.316 1.014 1.00 0.00 C ATOM 722 C SER A 139 -3.501 -5.902 1.582 1.00 0.00 C ATOM 723 O SER A 139 -2.681 -5.084 1.164 1.00 0.00 O ATOM 724 CB SER A 139 -2.568 -7.469 -0.137 1.00 0.00 C ATOM 725 OG SER A 139 -2.964 -6.698 -1.256 1.00 0.00 O ATOM 0 H SER A 139 -5.005 -7.594 -0.465 1.00 0.00 H new ATOM 0 HA SER A 139 -3.292 -8.011 1.810 1.00 0.00 H new ATOM 0 HB2 SER A 139 -1.576 -7.158 0.190 1.00 0.00 H new ATOM 0 HB3 SER A 139 -2.496 -8.519 -0.422 1.00 0.00 H new ATOM 0 HG SER A 139 -2.225 -6.116 -1.531 1.00 0.00 H new ATOM 731 N SER A 140 -4.388 -5.625 2.532 1.00 0.00 N ATOM 732 CA SER A 140 -4.467 -4.315 3.164 1.00 0.00 C ATOM 733 C SER A 140 -3.091 -3.837 3.620 1.00 0.00 C ATOM 734 O SER A 140 -2.731 -2.678 3.417 1.00 0.00 O ATOM 735 CB SER A 140 -5.431 -4.371 4.349 1.00 0.00 C ATOM 736 OG SER A 140 -5.531 -3.111 4.988 1.00 0.00 O ATOM 0 H SER A 140 -5.068 -6.299 2.883 1.00 0.00 H new ATOM 0 HA SER A 140 -4.840 -3.601 2.430 1.00 0.00 H new ATOM 0 HB2 SER A 140 -6.416 -4.687 4.005 1.00 0.00 H new ATOM 0 HB3 SER A 140 -5.089 -5.118 5.065 1.00 0.00 H new ATOM 0 HG SER A 140 -6.155 -3.175 5.741 1.00 0.00 H new ATOM 742 N ARG A 141 -2.323 -4.732 4.230 1.00 0.00 N ATOM 743 CA ARG A 141 -0.985 -4.392 4.702 1.00 0.00 C ATOM 744 C ARG A 141 0.074 -4.873 3.712 1.00 0.00 C ATOM 745 O ARG A 141 0.028 -6.011 3.251 1.00 0.00 O ATOM 746 CB ARG A 141 -0.733 -5.003 6.083 1.00 0.00 C ATOM 747 CG ARG A 141 -0.831 -6.520 6.108 1.00 0.00 C ATOM 748 CD ARG A 141 -0.596 -7.068 7.506 1.00 0.00 C ATOM 749 NE ARG A 141 -1.603 -6.600 8.454 1.00 0.00 N ATOM 750 CZ ARG A 141 -1.605 -6.917 9.745 1.00 0.00 C ATOM 751 NH1 ARG A 141 -0.645 -7.685 10.244 1.00 0.00 N ATOM 752 NH2 ARG A 141 -2.564 -6.462 10.540 1.00 0.00 N ATOM 0 H ARG A 141 -2.602 -5.696 4.409 1.00 0.00 H new ATOM 0 HA ARG A 141 -0.917 -3.307 4.782 1.00 0.00 H new ATOM 0 HB2 ARG A 141 0.258 -4.706 6.426 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -1.452 -4.590 6.790 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -1.815 -6.828 5.755 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -0.099 -6.945 5.421 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -0.606 -8.158 7.475 1.00 0.00 H new ATOM 0 HD3 ARG A 141 0.394 -6.768 7.851 1.00 0.00 H new ATOM 0 HE ARG A 141 -2.347 -5.996 8.106 1.00 0.00 H new ATOM 0 HH11 ARG A 141 0.097 -8.034 9.637 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -0.649 -7.927 11.235 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -3.301 -5.868 10.161 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -2.564 -6.706 11.530 1.00 0.00 H new ATOM 766 N SER A 142 1.026 -3.999 3.392 1.00 0.00 N ATOM 767 CA SER A 142 2.096 -4.340 2.454 1.00 0.00 C ATOM 768 C SER A 142 3.424 -3.745 2.912 1.00 0.00 C ATOM 769 O SER A 142 3.530 -2.540 3.140 1.00 0.00 O ATOM 770 CB SER A 142 1.752 -3.823 1.054 1.00 0.00 C ATOM 771 OG SER A 142 2.783 -4.127 0.131 1.00 0.00 O ATOM 0 H SER A 142 1.079 -3.052 3.767 1.00 0.00 H new ATOM 0 HA SER A 142 2.192 -5.425 2.423 1.00 0.00 H new ATOM 0 HB2 SER A 142 0.816 -4.269 0.718 1.00 0.00 H new ATOM 0 HB3 SER A 142 1.597 -2.745 1.089 1.00 0.00 H new ATOM 0 HG SER A 142 2.461 -4.795 -0.510 1.00 0.00 H new ATOM 777 N VAL A 143 4.434 -4.600 3.050 1.00 0.00 N ATOM 778 CA VAL A 143 5.753 -4.157 3.487 1.00 0.00 C ATOM 779 C VAL A 143 6.708 -4.005 2.307 1.00 0.00 C ATOM 780 O VAL A 143 6.935 -4.951 1.552 1.00 0.00 O ATOM 781 CB VAL A 143 6.364 -5.140 4.504 1.00 0.00 C ATOM 782 CG1 VAL A 143 7.751 -4.682 4.929 1.00 0.00 C ATOM 783 CG2 VAL A 143 5.453 -5.291 5.713 1.00 0.00 C ATOM 0 H VAL A 143 4.364 -5.601 2.866 1.00 0.00 H new ATOM 0 HA VAL A 143 5.617 -3.186 3.963 1.00 0.00 H new ATOM 0 HB VAL A 143 6.461 -6.114 4.024 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.164 -5.390 5.647 1.00 0.00 H new ATOM 0 HG12 VAL A 143 8.401 -4.631 4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 143 7.683 -3.696 5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 143 5.900 -5.989 6.421 1.00 0.00 H new ATOM 0 HG22 VAL A 143 5.322 -4.321 6.193 1.00 0.00 H new ATOM 0 HG23 VAL A 143 4.483 -5.671 5.392 1.00 0.00 H new ATOM 793 N CYS A 144 7.271 -2.812 2.161 1.00 0.00 N ATOM 794 CA CYS A 144 8.212 -2.531 1.082 1.00 0.00 C ATOM 795 C CYS A 144 9.579 -3.133 1.391 1.00 0.00 C ATOM 796 O CYS A 144 10.069 -3.032 2.517 1.00 0.00 O ATOM 797 CB CYS A 144 8.335 -1.020 0.882 1.00 0.00 C ATOM 798 SG CYS A 144 9.423 -0.524 -0.491 1.00 0.00 S ATOM 0 H CYS A 144 7.092 -2.020 2.778 1.00 0.00 H new ATOM 0 HA CYS A 144 7.837 -2.984 0.164 1.00 0.00 H new ATOM 0 HB2 CYS A 144 7.341 -0.608 0.708 1.00 0.00 H new ATOM 0 HB3 CYS A 144 8.708 -0.574 1.804 1.00 0.00 H new ATOM 803 N SER A 145 10.192 -3.764 0.391 1.00 0.00 N ATOM 804 CA SER A 145 11.502 -4.384 0.568 1.00 0.00 C ATOM 805 C SER A 145 12.062 -4.880 -0.763 1.00 0.00 C ATOM 806 O SER A 145 11.358 -5.517 -1.543 1.00 0.00 O ATOM 807 CB SER A 145 11.403 -5.548 1.557 1.00 0.00 C ATOM 808 OG SER A 145 12.667 -6.153 1.764 1.00 0.00 O ATOM 0 H SER A 145 9.803 -3.859 -0.547 1.00 0.00 H new ATOM 0 HA SER A 145 12.182 -3.629 0.964 1.00 0.00 H new ATOM 0 HB2 SER A 145 11.009 -5.189 2.508 1.00 0.00 H new ATOM 0 HB3 SER A 145 10.699 -6.290 1.180 1.00 0.00 H new ATOM 0 HG SER A 145 13.109 -5.734 2.532 1.00 0.00 H new ATOM 814 N GLN A 146 13.335 -4.583 -1.012 1.00 0.00 N ATOM 815 CA GLN A 146 13.996 -4.997 -2.248 1.00 0.00 C ATOM 816 C GLN A 146 13.253 -4.465 -3.470 1.00 0.00 C ATOM 817 O GLN A 146 13.090 -5.169 -4.467 1.00 0.00 O ATOM 818 CB GLN A 146 14.103 -6.523 -2.320 1.00 0.00 C ATOM 819 CG GLN A 146 15.170 -7.119 -1.409 1.00 0.00 C ATOM 820 CD GLN A 146 14.934 -6.835 0.061 1.00 0.00 C ATOM 821 OE1 GLN A 146 15.014 -5.691 0.509 1.00 0.00 O ATOM 822 NE2 GLN A 146 14.640 -7.881 0.825 1.00 0.00 N ATOM 0 H GLN A 146 13.931 -4.056 -0.373 1.00 0.00 H new ATOM 0 HA GLN A 146 15.001 -4.575 -2.246 1.00 0.00 H new ATOM 0 HB2 GLN A 146 13.137 -6.956 -2.061 1.00 0.00 H new ATOM 0 HB3 GLN A 146 14.317 -6.813 -3.349 1.00 0.00 H new ATOM 0 HG2 GLN A 146 15.206 -8.198 -1.562 1.00 0.00 H new ATOM 0 HG3 GLN A 146 16.144 -6.723 -1.696 1.00 0.00 H new ATOM 0 HE21 GLN A 146 14.583 -8.813 0.414 1.00 0.00 H new ATOM 0 HE22 GLN A 146 14.471 -7.752 1.823 1.00 0.00 H new ATOM 831 N GLY A 147 12.810 -3.215 -3.384 1.00 0.00 N ATOM 832 CA GLY A 147 12.092 -2.595 -4.482 1.00 0.00 C ATOM 833 C GLY A 147 10.856 -3.373 -4.897 1.00 0.00 C ATOM 834 O GLY A 147 10.331 -3.176 -5.993 1.00 0.00 O ATOM 0 H GLY A 147 12.937 -2.617 -2.567 1.00 0.00 H new ATOM 0 HA2 GLY A 147 11.799 -1.585 -4.193 1.00 0.00 H new ATOM 0 HA3 GLY A 147 12.760 -2.501 -5.338 1.00 0.00 H new ATOM 838 N GLN A 148 10.381 -4.249 -4.016 1.00 0.00 N ATOM 839 CA GLN A 148 9.191 -5.048 -4.294 1.00 0.00 C ATOM 840 C GLN A 148 8.331 -5.186 -3.040 1.00 0.00 C ATOM 841 O GLN A 148 8.831 -5.517 -1.965 1.00 0.00 O ATOM 842 CB GLN A 148 9.578 -6.431 -4.826 1.00 0.00 C ATOM 843 CG GLN A 148 10.399 -7.260 -3.850 1.00 0.00 C ATOM 844 CD GLN A 148 10.720 -8.641 -4.387 1.00 0.00 C ATOM 845 OE1 GLN A 148 9.821 -9.426 -4.691 1.00 0.00 O ATOM 846 NE2 GLN A 148 12.007 -8.947 -4.505 1.00 0.00 N ATOM 0 H GLN A 148 10.802 -4.424 -3.103 1.00 0.00 H new ATOM 0 HA GLN A 148 8.610 -4.534 -5.059 1.00 0.00 H new ATOM 0 HB2 GLN A 148 8.670 -6.979 -5.079 1.00 0.00 H new ATOM 0 HB3 GLN A 148 10.144 -6.309 -5.749 1.00 0.00 H new ATOM 0 HG2 GLN A 148 11.328 -6.736 -3.626 1.00 0.00 H new ATOM 0 HG3 GLN A 148 9.853 -7.357 -2.912 1.00 0.00 H new ATOM 0 HE21 GLN A 148 12.719 -8.266 -4.241 1.00 0.00 H new ATOM 0 HE22 GLN A 148 12.283 -9.863 -4.859 1.00 0.00 H new ATOM 855 N TRP A 149 7.037 -4.926 -3.181 1.00 0.00 N ATOM 856 CA TRP A 149 6.114 -5.018 -2.055 1.00 0.00 C ATOM 857 C TRP A 149 5.849 -6.470 -1.678 1.00 0.00 C ATOM 858 O TRP A 149 5.668 -7.322 -2.549 1.00 0.00 O ATOM 859 CB TRP A 149 4.792 -4.325 -2.386 1.00 0.00 C ATOM 860 CG TRP A 149 4.961 -2.929 -2.899 1.00 0.00 C ATOM 861 CD1 TRP A 149 5.331 -2.557 -4.159 1.00 0.00 C ATOM 862 CD2 TRP A 149 4.783 -1.719 -2.159 1.00 0.00 C ATOM 863 NE1 TRP A 149 5.379 -1.189 -4.251 1.00 0.00 N ATOM 864 CE2 TRP A 149 5.050 -0.651 -3.035 1.00 0.00 C ATOM 865 CE3 TRP A 149 4.419 -1.434 -0.841 1.00 0.00 C ATOM 866 CZ2 TRP A 149 4.965 0.680 -2.634 1.00 0.00 C ATOM 867 CZ3 TRP A 149 4.337 -0.115 -0.445 1.00 0.00 C ATOM 868 CH2 TRP A 149 4.608 0.929 -1.338 1.00 0.00 C ATOM 0 H TRP A 149 6.603 -4.650 -4.062 1.00 0.00 H new ATOM 0 HA TRP A 149 6.579 -4.517 -1.206 1.00 0.00 H new ATOM 0 HB2 TRP A 149 4.258 -4.915 -3.131 1.00 0.00 H new ATOM 0 HB3 TRP A 149 4.169 -4.302 -1.492 1.00 0.00 H new ATOM 0 HD1 TRP A 149 5.553 -3.240 -4.966 1.00 0.00 H new ATOM 0 HE1 TRP A 149 5.620 -0.659 -5.088 1.00 0.00 H new ATOM 0 HE3 TRP A 149 4.206 -2.232 -0.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 5.174 1.486 -3.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 4.059 0.117 0.572 1.00 0.00 H new ATOM 0 HH2 TRP A 149 4.534 1.951 -0.996 1.00 0.00 H new ATOM 879 N SER A 150 5.815 -6.745 -0.377 1.00 0.00 N ATOM 880 CA SER A 150 5.556 -8.095 0.107 1.00 0.00 C ATOM 881 C SER A 150 4.219 -8.593 -0.428 1.00 0.00 C ATOM 882 O SER A 150 4.140 -9.662 -1.036 1.00 0.00 O ATOM 883 CB SER A 150 5.554 -8.125 1.636 1.00 0.00 C ATOM 884 OG SER A 150 6.804 -7.706 2.157 1.00 0.00 O ATOM 0 H SER A 150 5.963 -6.053 0.358 1.00 0.00 H new ATOM 0 HA SER A 150 6.349 -8.751 -0.251 1.00 0.00 H new ATOM 0 HB2 SER A 150 4.763 -7.477 2.014 1.00 0.00 H new ATOM 0 HB3 SER A 150 5.332 -9.134 1.983 1.00 0.00 H new ATOM 0 HG SER A 150 6.934 -6.753 1.969 1.00 0.00 H new ATOM 890 N THR A 151 3.173 -7.800 -0.212 1.00 0.00 N ATOM 891 CA THR A 151 1.841 -8.147 -0.687 1.00 0.00 C ATOM 892 C THR A 151 1.378 -7.155 -1.750 1.00 0.00 C ATOM 893 O THR A 151 1.572 -5.948 -1.605 1.00 0.00 O ATOM 894 CB THR A 151 0.817 -8.162 0.462 1.00 0.00 C ATOM 895 OG1 THR A 151 0.726 -6.860 1.047 1.00 0.00 O ATOM 896 CG2 THR A 151 1.211 -9.176 1.526 1.00 0.00 C ATOM 0 H THR A 151 3.224 -6.913 0.289 1.00 0.00 H new ATOM 0 HA THR A 151 1.902 -9.147 -1.115 1.00 0.00 H new ATOM 0 HB THR A 151 -0.153 -8.448 0.054 1.00 0.00 H new ATOM 0 HG1 THR A 151 0.615 -6.944 2.017 1.00 0.00 H new ATOM 0 HG21 THR A 151 0.472 -9.168 2.327 1.00 0.00 H new ATOM 0 HG22 THR A 151 1.255 -10.171 1.082 1.00 0.00 H new ATOM 0 HG23 THR A 151 2.189 -8.917 1.932 1.00 0.00 H new ATOM 904 N PRO A 152 0.765 -7.646 -2.842 1.00 0.00 N ATOM 905 CA PRO A 152 0.285 -6.787 -3.930 1.00 0.00 C ATOM 906 C PRO A 152 -0.788 -5.806 -3.467 1.00 0.00 C ATOM 907 O PRO A 152 -0.908 -5.514 -2.277 1.00 0.00 O ATOM 908 CB PRO A 152 -0.304 -7.775 -4.945 1.00 0.00 C ATOM 909 CG PRO A 152 0.286 -9.098 -4.592 1.00 0.00 C ATOM 910 CD PRO A 152 0.499 -9.069 -3.106 1.00 0.00 C ATOM 0 HA PRO A 152 1.086 -6.168 -4.334 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -1.392 -7.800 -4.884 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -0.049 -7.490 -5.966 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -0.382 -9.912 -4.875 1.00 0.00 H new ATOM 0 HG3 PRO A 152 1.227 -9.259 -5.119 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -0.378 -9.424 -2.565 1.00 0.00 H new ATOM 0 HD3 PRO A 152 1.336 -9.699 -2.805 1.00 0.00 H new ATOM 918 N LYS A 153 -1.566 -5.303 -4.417 1.00 0.00 N ATOM 919 CA LYS A 153 -2.633 -4.357 -4.113 1.00 0.00 C ATOM 920 C LYS A 153 -3.977 -5.071 -3.988 1.00 0.00 C ATOM 921 O LYS A 153 -4.392 -5.788 -4.898 1.00 0.00 O ATOM 922 CB LYS A 153 -2.714 -3.286 -5.200 1.00 0.00 C ATOM 923 CG LYS A 153 -1.470 -2.418 -5.293 1.00 0.00 C ATOM 924 CD LYS A 153 -1.543 -1.454 -6.467 1.00 0.00 C ATOM 925 CE LYS A 153 -2.720 -0.501 -6.343 1.00 0.00 C ATOM 926 NZ LYS A 153 -2.769 0.468 -7.471 1.00 0.00 N ATOM 0 H LYS A 153 -1.478 -5.535 -5.406 1.00 0.00 H new ATOM 0 HA LYS A 153 -2.404 -3.884 -3.158 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -2.883 -3.769 -6.162 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -3.578 -2.649 -5.007 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -1.349 -1.855 -4.367 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -0.590 -3.053 -5.398 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -0.617 -0.882 -6.526 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -1.629 -2.018 -7.396 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -3.648 -1.072 -6.314 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -2.650 0.042 -5.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -3.167 1.369 -7.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -1.807 0.628 -7.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -3.367 0.086 -8.231 1.00 0.00 H new ATOM 940 N PRO A 154 -4.682 -4.882 -2.857 1.00 0.00 N ATOM 941 CA PRO A 154 -5.985 -5.512 -2.633 1.00 0.00 C ATOM 942 C PRO A 154 -7.088 -4.848 -3.453 1.00 0.00 C ATOM 943 O PRO A 154 -6.835 -4.346 -4.549 1.00 0.00 O ATOM 944 CB PRO A 154 -6.218 -5.303 -1.136 1.00 0.00 C ATOM 945 CG PRO A 154 -5.465 -4.060 -0.807 1.00 0.00 C ATOM 946 CD PRO A 154 -4.268 -4.038 -1.719 1.00 0.00 C ATOM 0 HA PRO A 154 -6.000 -6.559 -2.935 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -7.279 -5.195 -0.912 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -5.855 -6.152 -0.556 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -6.086 -3.177 -0.959 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -5.157 -4.057 0.239 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -4.026 -3.024 -2.039 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -3.381 -4.437 -1.226 1.00 0.00 H new ATOM 954 N HIS A 155 -8.310 -4.843 -2.924 1.00 0.00 N ATOM 955 CA HIS A 155 -9.434 -4.232 -3.626 1.00 0.00 C ATOM 956 C HIS A 155 -10.510 -3.768 -2.650 1.00 0.00 C ATOM 957 O HIS A 155 -10.778 -4.426 -1.645 1.00 0.00 O ATOM 958 CB HIS A 155 -10.033 -5.214 -4.636 1.00 0.00 C ATOM 959 CG HIS A 155 -10.545 -6.478 -4.019 1.00 0.00 C ATOM 960 ND1 HIS A 155 -9.741 -7.352 -3.315 1.00 0.00 N ATOM 961 CD2 HIS A 155 -11.788 -7.017 -4.003 1.00 0.00 C ATOM 962 CE1 HIS A 155 -10.467 -8.372 -2.893 1.00 0.00 C ATOM 963 NE2 HIS A 155 -11.711 -8.192 -3.297 1.00 0.00 N ATOM 0 H HIS A 155 -8.545 -5.252 -2.019 1.00 0.00 H new ATOM 0 HA HIS A 155 -9.057 -3.359 -4.159 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -10.849 -4.723 -5.166 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -9.275 -5.464 -5.379 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -12.673 -6.600 -4.460 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -10.105 -9.210 -2.316 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -12.490 -8.824 -3.114 1.00 0.00 H new ATOM 972 N CYS A 156 -11.130 -2.633 -2.962 1.00 0.00 N ATOM 973 CA CYS A 156 -12.187 -2.082 -2.120 1.00 0.00 C ATOM 974 C CYS A 156 -13.554 -2.487 -2.660 1.00 0.00 C ATOM 975 O CYS A 156 -13.811 -2.385 -3.860 1.00 0.00 O ATOM 976 CB CYS A 156 -12.084 -0.555 -2.061 1.00 0.00 C ATOM 977 SG CYS A 156 -10.558 0.066 -1.282 1.00 0.00 S ATOM 0 H CYS A 156 -10.919 -2.078 -3.791 1.00 0.00 H new ATOM 0 HA CYS A 156 -12.068 -2.481 -1.113 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -12.147 -0.159 -3.075 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -12.942 -0.166 -1.513 1.00 0.00 H new ATOM 982 N GLN A 157 -14.424 -2.956 -1.772 1.00 0.00 N ATOM 983 CA GLN A 157 -15.759 -3.386 -2.172 1.00 0.00 C ATOM 984 C GLN A 157 -16.831 -2.783 -1.275 1.00 0.00 C ATOM 985 O GLN A 157 -16.659 -2.687 -0.061 1.00 0.00 O ATOM 986 CB GLN A 157 -15.858 -4.911 -2.142 1.00 0.00 C ATOM 987 CG GLN A 157 -14.955 -5.603 -3.149 1.00 0.00 C ATOM 988 CD GLN A 157 -15.293 -5.238 -4.583 1.00 0.00 C ATOM 989 OE1 GLN A 157 -16.411 -5.464 -5.045 1.00 0.00 O ATOM 990 NE2 GLN A 157 -14.324 -4.674 -5.294 1.00 0.00 N ATOM 0 H GLN A 157 -14.230 -3.048 -0.775 1.00 0.00 H new ATOM 0 HA GLN A 157 -15.928 -3.033 -3.189 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -15.607 -5.263 -1.141 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -16.891 -5.203 -2.333 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -13.918 -5.337 -2.945 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -15.037 -6.683 -3.024 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -13.412 -4.505 -4.870 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -14.492 -4.409 -6.265 1.00 0.00 H new ATOM 999 N VAL A 158 -17.941 -2.387 -1.887 1.00 0.00 N ATOM 1000 CA VAL A 158 -19.055 -1.799 -1.156 1.00 0.00 C ATOM 1001 C VAL A 158 -19.668 -2.808 -0.188 1.00 0.00 C ATOM 1002 O VAL A 158 -19.847 -3.977 -0.526 1.00 0.00 O ATOM 1003 CB VAL A 158 -20.145 -1.300 -2.125 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -20.603 -2.430 -3.035 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -21.319 -0.710 -1.358 1.00 0.00 C ATOM 0 H VAL A 158 -18.093 -2.463 -2.893 1.00 0.00 H new ATOM 0 HA VAL A 158 -18.663 -0.954 -0.590 1.00 0.00 H new ATOM 0 HB VAL A 158 -19.720 -0.511 -2.746 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -21.373 -2.062 -3.713 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -19.755 -2.798 -3.613 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -21.009 -3.241 -2.431 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -22.076 -0.364 -2.062 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -21.749 -1.472 -0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -20.974 0.130 -0.754 1.00 0.00 H new ATOM 1015 N ASN A 159 -19.986 -2.348 1.018 1.00 0.00 N ATOM 1016 CA ASN A 159 -20.579 -3.212 2.033 1.00 0.00 C ATOM 1017 C ASN A 159 -21.903 -3.792 1.547 1.00 0.00 C ATOM 1018 O ASN A 159 -22.730 -3.018 1.020 1.00 0.00 O ATOM 1019 CB ASN A 159 -20.796 -2.437 3.334 1.00 0.00 C ATOM 1020 CG ASN A 159 -19.496 -1.954 3.947 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -18.613 -2.751 4.264 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -19.374 -0.643 4.120 1.00 0.00 N ATOM 1023 OXT ASN A 159 -22.102 -5.016 1.696 1.00 0.00 O ATOM 0 H ASN A 159 -19.843 -1.383 1.316 1.00 0.00 H new ATOM 0 HA ASN A 159 -19.888 -4.034 2.221 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -21.442 -1.581 3.140 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -21.317 -3.073 4.049 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -18.522 -0.260 4.530 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -20.132 -0.019 3.842 1.00 0.00 H new TER 1030 ASN A 159