USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 604 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 LYS NZ :NH3+ 166:sc= 1.28 (180deg=0) USER MOD Set 1.2: A 72 ASN : amide:sc= 0.892 K(o=2.2,f=-7.8!) USER MOD Set 2.1: A 55 ASN : amide:sc= 1.92 K(o=3.3,f=-9.3!) USER MOD Set 2.2: A 58 THR OG1 : rot 176:sc= 1.12 USER MOD Set 2.3: A 62 TYR OH : rot 30:sc= 0.307 USER MOD Set 3.1: A 57 GLN : amide:sc= 0 X(o=0.011,f=-0.0055) USER MOD Set 3.2: A 74 SER OG : rot 30:sc= 0.0106 USER MOD Set 4.1: A 32 CYS SG : rot 180:sc= 1.05 USER MOD Set 4.2: A 36 LYS NZ :NH3+ -169:sc= 1.32 (180deg=0) USER MOD Set 5.1: A 11 TYR OH : rot -167:sc= 1.26 USER MOD Set 5.2: A 16 LYS NZ :NH3+ 168:sc= 0.736 (180deg=0.269) USER MOD Single : A 7 SER OG : rot -157:sc= 1.2 USER MOD Single : A 8 CYS SG : rot 180:sc= -2.8! USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc=-0.00432 K(o=-0.0043,f=-0.75) USER MOD Single : A 19 TYR OH : rot 30:sc= -0.0193 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 37:sc= 0.137 USER MOD Single : A 28 HIS : no HD1:sc= -2.28! C(o=-2.3!,f=-2.7!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -143:sc= 0.986 (180deg=-0.672!) USER MOD Single : A 37 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.19) USER MOD Single : A 39 MET CE :methyl -174:sc= -0.917 (180deg=-0.98) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -171:sc= -0.0121 (180deg=-0.119) USER MOD Single : A 49 CYS SG : rot 36:sc= 1.16 USER MOD Single : A 52 GLN :FLIP amide:sc= -3.65! C(o=-4.2!,f=-3.6!) USER MOD Single : A 54 THR OG1 : rot 110:sc= -0.713 USER MOD Single : A 59 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00351) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0317 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= -1.04 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 7 -14.531 3.171 -2.657 1.00 0.00 N ATOM 79 CA SER A 7 -13.609 2.135 -2.430 1.00 0.00 C ATOM 80 C SER A 7 -12.368 2.750 -1.889 1.00 0.00 C ATOM 81 O SER A 7 -11.725 3.581 -2.542 1.00 0.00 O ATOM 82 CB SER A 7 -13.358 1.401 -3.726 1.00 0.00 C ATOM 83 OG SER A 7 -14.591 0.942 -4.267 1.00 0.00 O ATOM 0 HA SER A 7 -13.986 1.407 -1.712 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.861 2.060 -4.438 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.690 0.557 -3.553 1.00 0.00 H new ATOM 0 HG SER A 7 -14.422 0.192 -4.875 1.00 0.00 H new ATOM 89 N CYS A 8 -12.063 2.393 -0.699 1.00 0.00 N ATOM 90 CA CYS A 8 -10.981 2.971 0.001 1.00 0.00 C ATOM 91 C CYS A 8 -10.235 1.881 0.737 1.00 0.00 C ATOM 92 O CYS A 8 -10.854 1.039 1.383 1.00 0.00 O ATOM 93 CB CYS A 8 -11.545 3.981 0.998 1.00 0.00 C ATOM 94 SG CYS A 8 -12.517 5.332 0.289 1.00 0.00 S ATOM 0 H CYS A 8 -12.567 1.678 -0.175 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.297 3.470 -0.685 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -12.170 3.446 1.713 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.715 4.411 1.559 1.00 0.00 H new ATOM 0 HG CYS A 8 -12.936 6.112 1.241 1.00 0.00 H new ATOM 100 N VAL A 9 -8.933 1.885 0.638 1.00 0.00 N ATOM 101 CA VAL A 9 -8.126 0.917 1.354 1.00 0.00 C ATOM 102 C VAL A 9 -7.458 1.628 2.503 1.00 0.00 C ATOM 103 O VAL A 9 -6.880 2.711 2.325 1.00 0.00 O ATOM 104 CB VAL A 9 -7.023 0.242 0.460 1.00 0.00 C ATOM 105 CG1 VAL A 9 -6.121 -0.660 1.293 1.00 0.00 C ATOM 106 CG2 VAL A 9 -7.633 -0.570 -0.662 1.00 0.00 C ATOM 0 H VAL A 9 -8.402 2.545 0.070 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.787 0.119 1.692 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.431 1.049 0.028 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.367 -1.114 0.650 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.630 -0.069 2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.720 -1.443 1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.839 -1.021 -1.258 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.262 -1.355 -0.243 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.237 0.080 -1.295 1.00 0.00 H new ATOM 116 N HIS A 10 -7.574 1.038 3.665 1.00 0.00 N ATOM 117 CA HIS A 10 -7.009 1.565 4.874 1.00 0.00 C ATOM 118 C HIS A 10 -5.624 1.059 5.023 1.00 0.00 C ATOM 119 O HIS A 10 -5.402 -0.152 5.078 1.00 0.00 O ATOM 120 CB HIS A 10 -7.824 1.165 6.112 1.00 0.00 C ATOM 121 CG HIS A 10 -9.137 1.853 6.240 1.00 0.00 C ATOM 122 ND1 HIS A 10 -9.398 2.821 7.178 1.00 0.00 N ATOM 123 CD2 HIS A 10 -10.284 1.689 5.542 1.00 0.00 C ATOM 124 CE1 HIS A 10 -10.659 3.212 7.029 1.00 0.00 C ATOM 125 NE2 HIS A 10 -11.248 2.554 6.045 1.00 0.00 N ATOM 0 H HIS A 10 -8.075 0.159 3.797 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.020 2.653 4.802 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.994 0.089 6.086 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.232 1.373 7.003 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -10.427 0.997 4.725 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.140 3.968 7.632 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -12.210 2.659 5.722 1.00 0.00 H new ATOM 133 N TYR A 11 -4.706 1.947 5.072 1.00 0.00 N ATOM 134 CA TYR A 11 -3.346 1.580 5.223 1.00 0.00 C ATOM 135 C TYR A 11 -2.735 2.442 6.293 1.00 0.00 C ATOM 136 O TYR A 11 -3.066 3.623 6.393 1.00 0.00 O ATOM 137 CB TYR A 11 -2.575 1.765 3.886 1.00 0.00 C ATOM 138 CG TYR A 11 -2.293 3.222 3.498 1.00 0.00 C ATOM 139 CD1 TYR A 11 -3.205 3.973 2.772 1.00 0.00 C ATOM 140 CD2 TYR A 11 -1.099 3.830 3.884 1.00 0.00 C ATOM 141 CE1 TYR A 11 -2.923 5.304 2.448 1.00 0.00 C ATOM 142 CE2 TYR A 11 -0.813 5.127 3.570 1.00 0.00 C ATOM 143 CZ TYR A 11 -1.710 5.869 2.857 1.00 0.00 C ATOM 144 OH TYR A 11 -1.408 7.190 2.570 1.00 0.00 O ATOM 0 H TYR A 11 -4.873 2.951 5.009 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.282 0.529 5.505 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.626 1.233 3.954 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.147 1.296 3.086 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -4.137 3.528 2.455 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.378 3.257 4.449 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.635 5.891 1.887 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.122 5.566 3.885 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.456 7.352 2.737 1.00 0.00 H new ATOM 154 N LYS A 12 -1.911 1.886 7.125 1.00 0.00 N ATOM 155 CA LYS A 12 -1.157 2.717 8.004 1.00 0.00 C ATOM 156 C LYS A 12 0.281 2.456 7.707 1.00 0.00 C ATOM 157 O LYS A 12 0.628 1.365 7.283 1.00 0.00 O ATOM 158 CB LYS A 12 -1.454 2.509 9.501 1.00 0.00 C ATOM 159 CG LYS A 12 -0.928 1.226 10.099 1.00 0.00 C ATOM 160 CD LYS A 12 -0.920 1.315 11.609 1.00 0.00 C ATOM 161 CE LYS A 12 -0.167 0.147 12.220 1.00 0.00 C ATOM 162 NZ LYS A 12 0.065 0.326 13.659 1.00 0.00 N ATOM 0 H LYS A 12 -1.746 0.883 7.213 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.439 3.754 7.823 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.033 3.347 10.056 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.534 2.541 9.647 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.548 0.388 9.781 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.081 1.033 9.734 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.458 2.252 11.919 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.944 1.326 11.981 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.731 -0.771 12.056 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.790 0.028 11.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.582 -0.496 14.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.625 1.188 13.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.848 0.413 14.150 1.00 0.00 H new ATOM 176 N PHE A 13 1.106 3.427 7.864 1.00 0.00 N ATOM 177 CA PHE A 13 2.501 3.229 7.593 1.00 0.00 C ATOM 178 C PHE A 13 3.121 2.674 8.848 1.00 0.00 C ATOM 179 O PHE A 13 2.500 2.703 9.887 1.00 0.00 O ATOM 180 CB PHE A 13 3.161 4.556 7.227 1.00 0.00 C ATOM 181 CG PHE A 13 4.099 4.469 6.061 1.00 0.00 C ATOM 182 CD1 PHE A 13 5.362 3.916 6.193 1.00 0.00 C ATOM 183 CD2 PHE A 13 3.702 4.934 4.821 1.00 0.00 C ATOM 184 CE1 PHE A 13 6.204 3.819 5.106 1.00 0.00 C ATOM 185 CE2 PHE A 13 4.539 4.849 3.736 1.00 0.00 C ATOM 186 CZ PHE A 13 5.792 4.287 3.877 1.00 0.00 C ATOM 0 H PHE A 13 0.852 4.364 8.176 1.00 0.00 H new ATOM 0 HA PHE A 13 2.638 2.545 6.755 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.384 5.286 7.001 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.708 4.929 8.093 1.00 0.00 H new ATOM 0 HD1 PHE A 13 5.690 3.557 7.157 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.721 5.370 4.704 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.183 3.378 5.217 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.218 5.221 2.774 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.450 4.214 3.024 1.00 0.00 H new ATOM 196 N SER A 14 4.303 2.149 8.757 1.00 0.00 N ATOM 197 CA SER A 14 4.985 1.693 9.937 1.00 0.00 C ATOM 198 C SER A 14 5.311 2.918 10.834 1.00 0.00 C ATOM 199 O SER A 14 5.323 2.824 12.069 1.00 0.00 O ATOM 200 CB SER A 14 6.242 0.905 9.544 1.00 0.00 C ATOM 201 OG SER A 14 6.832 0.274 10.666 1.00 0.00 O ATOM 0 H SER A 14 4.817 2.024 7.885 1.00 0.00 H new ATOM 0 HA SER A 14 4.351 1.015 10.508 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.983 0.154 8.798 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.965 1.578 9.082 1.00 0.00 H new ATOM 0 HG SER A 14 7.629 -0.220 10.382 1.00 0.00 H new ATOM 207 N SER A 15 5.531 4.062 10.194 1.00 0.00 N ATOM 208 CA SER A 15 5.772 5.308 10.882 1.00 0.00 C ATOM 209 C SER A 15 4.445 5.845 11.481 1.00 0.00 C ATOM 210 O SER A 15 4.340 6.049 12.694 1.00 0.00 O ATOM 211 CB SER A 15 6.394 6.322 9.888 1.00 0.00 C ATOM 212 OG SER A 15 6.829 7.515 10.521 1.00 0.00 O ATOM 0 H SER A 15 5.545 4.142 9.177 1.00 0.00 H new ATOM 0 HA SER A 15 6.470 5.154 11.705 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.239 5.856 9.381 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.660 6.570 9.121 1.00 0.00 H new ATOM 0 HG SER A 15 7.214 8.119 9.852 1.00 0.00 H new ATOM 218 N LYS A 16 3.438 6.040 10.616 1.00 0.00 N ATOM 219 CA LYS A 16 2.139 6.568 11.013 1.00 0.00 C ATOM 220 C LYS A 16 1.376 5.583 11.911 1.00 0.00 C ATOM 221 O LYS A 16 1.443 4.377 11.726 1.00 0.00 O ATOM 222 CB LYS A 16 1.333 6.939 9.759 1.00 0.00 C ATOM 223 CG LYS A 16 2.084 7.940 8.876 1.00 0.00 C ATOM 224 CD LYS A 16 1.280 8.445 7.682 1.00 0.00 C ATOM 225 CE LYS A 16 0.986 7.369 6.643 1.00 0.00 C ATOM 226 NZ LYS A 16 0.313 7.925 5.452 1.00 0.00 N ATOM 0 H LYS A 16 3.510 5.833 9.620 1.00 0.00 H new ATOM 0 HA LYS A 16 2.293 7.468 11.608 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.118 6.038 9.185 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.374 7.364 10.056 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.383 8.793 9.486 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.999 7.472 8.512 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.338 8.860 8.039 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.826 9.259 7.205 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.918 6.889 6.343 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.358 6.597 7.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.312 7.216 4.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.667 8.176 5.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.820 8.775 5.132 1.00 0.00 H new ATOM 240 N LEU A 17 0.670 6.109 12.868 1.00 0.00 N ATOM 241 CA LEU A 17 -0.017 5.294 13.852 1.00 0.00 C ATOM 242 C LEU A 17 -1.422 4.957 13.398 1.00 0.00 C ATOM 243 O LEU A 17 -1.915 3.844 13.619 1.00 0.00 O ATOM 244 CB LEU A 17 -0.070 6.006 15.227 1.00 0.00 C ATOM 245 CG LEU A 17 1.275 6.311 15.935 1.00 0.00 C ATOM 246 CD1 LEU A 17 2.125 5.067 16.053 1.00 0.00 C ATOM 247 CD2 LEU A 17 2.050 7.448 15.266 1.00 0.00 C ATOM 0 H LEU A 17 0.548 7.113 12.997 1.00 0.00 H new ATOM 0 HA LEU A 17 0.549 4.368 13.957 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.601 6.949 15.096 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.671 5.393 15.899 1.00 0.00 H new ATOM 0 HG LEU A 17 1.027 6.652 16.940 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.062 5.312 16.554 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.590 4.315 16.633 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.337 4.676 15.058 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.983 7.618 15.804 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.270 7.180 14.233 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.450 8.358 15.284 1.00 0.00 H new ATOM 259 N ASN A 18 -2.058 5.903 12.763 1.00 0.00 N ATOM 260 CA ASN A 18 -3.423 5.722 12.313 1.00 0.00 C ATOM 261 C ASN A 18 -3.456 5.401 10.840 1.00 0.00 C ATOM 262 O ASN A 18 -2.467 5.617 10.117 1.00 0.00 O ATOM 263 CB ASN A 18 -4.300 6.948 12.622 1.00 0.00 C ATOM 264 CG ASN A 18 -4.533 7.170 14.115 1.00 0.00 C ATOM 265 OD1 ASN A 18 -4.558 6.229 14.908 1.00 0.00 O ATOM 266 ND2 ASN A 18 -4.706 8.407 14.506 1.00 0.00 N ATOM 0 H ASN A 18 -1.656 6.814 12.542 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.839 4.880 12.866 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.830 7.836 12.200 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.263 6.830 12.126 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.867 8.612 15.492 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.680 9.166 13.825 1.00 0.00 H new ATOM 273 N TYR A 19 -4.574 4.887 10.392 1.00 0.00 N ATOM 274 CA TYR A 19 -4.734 4.490 9.014 1.00 0.00 C ATOM 275 C TYR A 19 -5.211 5.634 8.161 1.00 0.00 C ATOM 276 O TYR A 19 -5.888 6.556 8.638 1.00 0.00 O ATOM 277 CB TYR A 19 -5.712 3.324 8.878 1.00 0.00 C ATOM 278 CG TYR A 19 -5.245 2.009 9.477 1.00 0.00 C ATOM 279 CD1 TYR A 19 -5.144 1.837 10.849 1.00 0.00 C ATOM 280 CD2 TYR A 19 -4.933 0.928 8.665 1.00 0.00 C ATOM 281 CE1 TYR A 19 -4.753 0.638 11.392 1.00 0.00 C ATOM 282 CE2 TYR A 19 -4.533 -0.275 9.202 1.00 0.00 C ATOM 283 CZ TYR A 19 -4.447 -0.411 10.569 1.00 0.00 C ATOM 284 OH TYR A 19 -4.063 -1.607 11.116 1.00 0.00 O ATOM 0 H TYR A 19 -5.399 4.732 10.971 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.751 4.174 8.666 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.654 3.605 9.350 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.920 3.168 7.819 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.378 2.663 11.504 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.005 1.032 7.592 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.687 0.524 12.464 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.289 -1.105 8.556 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.490 -1.719 11.991 1.00 0.00 H new ATOM 294 N ASP A 20 -4.860 5.573 6.921 1.00 0.00 N ATOM 295 CA ASP A 20 -5.278 6.530 5.931 1.00 0.00 C ATOM 296 C ASP A 20 -6.003 5.730 4.858 1.00 0.00 C ATOM 297 O ASP A 20 -6.027 4.497 4.940 1.00 0.00 O ATOM 298 CB ASP A 20 -4.054 7.234 5.345 1.00 0.00 C ATOM 299 CG ASP A 20 -4.384 8.542 4.641 1.00 0.00 C ATOM 300 OD1 ASP A 20 -5.118 8.546 3.645 1.00 0.00 O ATOM 301 OD2 ASP A 20 -3.891 9.594 5.072 1.00 0.00 O ATOM 0 H ASP A 20 -4.258 4.839 6.549 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.925 7.299 6.353 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.341 7.431 6.145 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.563 6.564 4.639 1.00 0.00 H new ATOM 306 N THR A 21 -6.542 6.373 3.871 1.00 0.00 N ATOM 307 CA THR A 21 -7.319 5.709 2.869 1.00 0.00 C ATOM 308 C THR A 21 -6.950 6.123 1.455 1.00 0.00 C ATOM 309 O THR A 21 -6.823 7.316 1.148 1.00 0.00 O ATOM 310 CB THR A 21 -8.829 5.950 3.089 1.00 0.00 C ATOM 311 OG1 THR A 21 -9.073 7.322 3.463 1.00 0.00 O ATOM 312 CG2 THR A 21 -9.394 5.018 4.139 1.00 0.00 C ATOM 0 H THR A 21 -6.456 7.380 3.735 1.00 0.00 H new ATOM 0 HA THR A 21 -7.091 4.648 2.974 1.00 0.00 H new ATOM 0 HB THR A 21 -9.335 5.742 2.146 1.00 0.00 H new ATOM 0 HG1 THR A 21 -10.034 7.459 3.597 1.00 0.00 H new ATOM 0 HG21 THR A 21 -10.458 5.216 4.267 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.253 3.985 3.822 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.878 5.181 5.085 1.00 0.00 H new ATOM 320 N VAL A 22 -6.749 5.146 0.607 1.00 0.00 N ATOM 321 CA VAL A 22 -6.601 5.403 -0.806 1.00 0.00 C ATOM 322 C VAL A 22 -7.934 5.217 -1.474 1.00 0.00 C ATOM 323 O VAL A 22 -8.525 4.136 -1.407 1.00 0.00 O ATOM 324 CB VAL A 22 -5.533 4.518 -1.530 1.00 0.00 C ATOM 325 CG1 VAL A 22 -4.144 5.030 -1.289 1.00 0.00 C ATOM 326 CG2 VAL A 22 -5.623 3.064 -1.099 1.00 0.00 C ATOM 0 H VAL A 22 -6.684 4.163 0.870 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.238 6.427 -0.890 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.750 4.577 -2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.427 4.393 -1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.061 6.049 -1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.933 5.021 -0.220 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.866 2.481 -1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.456 2.992 -0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.612 2.674 -1.340 1.00 0.00 H new ATOM 336 N THR A 23 -8.434 6.269 -2.038 1.00 0.00 N ATOM 337 CA THR A 23 -9.663 6.223 -2.753 1.00 0.00 C ATOM 338 C THR A 23 -9.371 5.803 -4.176 1.00 0.00 C ATOM 339 O THR A 23 -8.548 6.434 -4.874 1.00 0.00 O ATOM 340 CB THR A 23 -10.377 7.595 -2.715 1.00 0.00 C ATOM 341 OG1 THR A 23 -9.489 8.633 -3.171 1.00 0.00 O ATOM 342 CG2 THR A 23 -10.829 7.924 -1.303 1.00 0.00 C ATOM 0 H THR A 23 -7.996 7.190 -2.014 1.00 0.00 H new ATOM 0 HA THR A 23 -10.333 5.501 -2.287 1.00 0.00 H new ATOM 0 HB THR A 23 -11.246 7.539 -3.370 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.927 8.288 -3.896 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.329 8.893 -1.297 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.520 7.157 -0.954 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.963 7.959 -0.642 1.00 0.00 H new ATOM 350 N PHE A 24 -9.960 4.737 -4.585 1.00 0.00 N ATOM 351 CA PHE A 24 -9.741 4.208 -5.894 1.00 0.00 C ATOM 352 C PHE A 24 -11.064 3.658 -6.373 1.00 0.00 C ATOM 353 O PHE A 24 -11.965 3.446 -5.562 1.00 0.00 O ATOM 354 CB PHE A 24 -8.662 3.084 -5.828 1.00 0.00 C ATOM 355 CG PHE A 24 -9.118 1.849 -5.081 1.00 0.00 C ATOM 356 CD1 PHE A 24 -9.251 1.864 -3.707 1.00 0.00 C ATOM 357 CD2 PHE A 24 -9.446 0.688 -5.764 1.00 0.00 C ATOM 358 CE1 PHE A 24 -9.695 0.760 -3.031 1.00 0.00 C ATOM 359 CE2 PHE A 24 -9.896 -0.421 -5.083 1.00 0.00 C ATOM 360 CZ PHE A 24 -10.020 -0.378 -3.715 1.00 0.00 C ATOM 0 H PHE A 24 -10.615 4.198 -4.019 1.00 0.00 H new ATOM 0 HA PHE A 24 -9.380 4.973 -6.581 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.381 2.802 -6.843 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.767 3.479 -5.348 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.001 2.760 -3.158 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -9.348 0.653 -6.839 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -9.789 0.788 -1.955 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -10.151 -1.322 -5.622 1.00 0.00 H new ATOM 0 HZ PHE A 24 -10.375 -1.246 -3.179 1.00 0.00 H new ATOM 370 N ASP A 25 -11.209 3.461 -7.637 1.00 0.00 N ATOM 371 CA ASP A 25 -12.414 2.894 -8.151 1.00 0.00 C ATOM 372 C ASP A 25 -12.192 1.445 -8.446 1.00 0.00 C ATOM 373 O ASP A 25 -11.173 1.068 -9.043 1.00 0.00 O ATOM 374 CB ASP A 25 -12.907 3.642 -9.382 1.00 0.00 C ATOM 375 CG ASP A 25 -13.453 5.015 -9.058 1.00 0.00 C ATOM 376 OD1 ASP A 25 -14.666 5.145 -8.772 1.00 0.00 O ATOM 377 OD2 ASP A 25 -12.677 5.995 -9.071 1.00 0.00 O ATOM 0 H ASP A 25 -10.505 3.685 -8.341 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.195 2.988 -7.397 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.087 3.741 -10.093 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -13.684 3.054 -9.871 1.00 0.00 H new ATOM 382 N GLY A 26 -13.107 0.632 -8.001 1.00 0.00 N ATOM 383 CA GLY A 26 -12.990 -0.783 -8.169 1.00 0.00 C ATOM 384 C GLY A 26 -13.240 -1.488 -6.871 1.00 0.00 C ATOM 385 O GLY A 26 -13.819 -0.912 -5.955 1.00 0.00 O ATOM 0 H GLY A 26 -13.951 0.933 -7.514 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.702 -1.126 -8.919 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -11.995 -1.030 -8.538 1.00 0.00 H new ATOM 389 N LEU A 27 -12.854 -2.718 -6.781 1.00 0.00 N ATOM 390 CA LEU A 27 -12.992 -3.461 -5.548 1.00 0.00 C ATOM 391 C LEU A 27 -11.622 -3.632 -4.915 1.00 0.00 C ATOM 392 O LEU A 27 -11.466 -3.586 -3.683 1.00 0.00 O ATOM 393 CB LEU A 27 -13.636 -4.835 -5.802 1.00 0.00 C ATOM 394 CG LEU A 27 -13.898 -5.698 -4.557 1.00 0.00 C ATOM 395 CD1 LEU A 27 -14.881 -5.016 -3.610 1.00 0.00 C ATOM 396 CD2 LEU A 27 -14.405 -7.074 -4.958 1.00 0.00 C ATOM 0 H LEU A 27 -12.435 -3.244 -7.548 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.643 -2.907 -4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.584 -4.680 -6.318 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.992 -5.396 -6.479 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.953 -5.819 -4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.047 -5.650 -2.739 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.472 -4.058 -3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.828 -4.852 -4.125 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.585 -7.670 -4.064 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.334 -6.970 -5.518 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.660 -7.569 -5.581 1.00 0.00 H new ATOM 408 N HIS A 28 -10.635 -3.797 -5.756 1.00 0.00 N ATOM 409 CA HIS A 28 -9.271 -3.990 -5.328 1.00 0.00 C ATOM 410 C HIS A 28 -8.293 -3.341 -6.248 1.00 0.00 C ATOM 411 O HIS A 28 -8.602 -3.071 -7.412 1.00 0.00 O ATOM 412 CB HIS A 28 -8.920 -5.470 -5.094 1.00 0.00 C ATOM 413 CG HIS A 28 -9.496 -6.453 -6.061 1.00 0.00 C ATOM 414 ND1 HIS A 28 -10.151 -7.589 -5.656 1.00 0.00 N ATOM 415 CD2 HIS A 28 -9.491 -6.480 -7.411 1.00 0.00 C ATOM 416 CE1 HIS A 28 -10.522 -8.261 -6.748 1.00 0.00 C ATOM 417 NE2 HIS A 28 -10.142 -7.627 -7.847 1.00 0.00 N ATOM 0 H HIS A 28 -10.755 -3.801 -6.769 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.193 -3.492 -4.362 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.835 -5.570 -5.112 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.249 -5.744 -4.092 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.051 -5.729 -8.050 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.060 -9.197 -6.737 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.295 -7.920 -8.812 1.00 0.00 H new ATOM 425 N ILE A 29 -7.141 -3.065 -5.715 1.00 0.00 N ATOM 426 CA ILE A 29 -6.087 -2.441 -6.435 1.00 0.00 C ATOM 427 C ILE A 29 -4.807 -3.272 -6.335 1.00 0.00 C ATOM 428 O ILE A 29 -4.433 -3.733 -5.252 1.00 0.00 O ATOM 429 CB ILE A 29 -5.871 -0.968 -5.957 1.00 0.00 C ATOM 430 CG1 ILE A 29 -4.640 -0.359 -6.612 1.00 0.00 C ATOM 431 CG2 ILE A 29 -5.773 -0.878 -4.431 1.00 0.00 C ATOM 432 CD1 ILE A 29 -4.558 1.148 -6.496 1.00 0.00 C ATOM 0 H ILE A 29 -6.909 -3.275 -4.744 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.367 -2.392 -7.487 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.744 -0.394 -6.266 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.749 -0.796 -6.162 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.631 -0.632 -7.667 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.623 0.161 -4.137 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.694 -1.252 -3.985 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.932 -1.478 -4.084 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.652 1.502 -6.988 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.429 1.598 -6.972 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.533 1.431 -5.444 1.00 0.00 H new ATOM 444 N SER A 30 -4.193 -3.507 -7.472 1.00 0.00 N ATOM 445 CA SER A 30 -2.972 -4.262 -7.571 1.00 0.00 C ATOM 446 C SER A 30 -1.835 -3.522 -6.858 1.00 0.00 C ATOM 447 O SER A 30 -1.786 -2.293 -6.858 1.00 0.00 O ATOM 448 CB SER A 30 -2.651 -4.500 -9.041 1.00 0.00 C ATOM 449 OG SER A 30 -3.773 -5.086 -9.717 1.00 0.00 O ATOM 0 H SER A 30 -4.538 -3.170 -8.371 1.00 0.00 H new ATOM 0 HA SER A 30 -3.090 -5.229 -7.082 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.385 -3.556 -9.518 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.785 -5.156 -9.128 1.00 0.00 H new ATOM 0 HG SER A 30 -3.548 -5.230 -10.660 1.00 0.00 H new ATOM 455 N LEU A 31 -0.946 -4.278 -6.261 1.00 0.00 N ATOM 456 CA LEU A 31 0.104 -3.772 -5.416 1.00 0.00 C ATOM 457 C LEU A 31 0.983 -2.722 -6.062 1.00 0.00 C ATOM 458 O LEU A 31 1.249 -1.714 -5.438 1.00 0.00 O ATOM 459 CB LEU A 31 0.941 -4.905 -4.819 1.00 0.00 C ATOM 460 CG LEU A 31 2.036 -4.474 -3.846 1.00 0.00 C ATOM 461 CD1 LEU A 31 1.449 -3.705 -2.697 1.00 0.00 C ATOM 462 CD2 LEU A 31 2.791 -5.662 -3.328 1.00 0.00 C ATOM 0 H LEU A 31 -0.934 -5.294 -6.354 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.413 -3.255 -4.607 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.272 -5.594 -4.303 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.403 -5.460 -5.635 1.00 0.00 H new ATOM 0 HG LEU A 31 2.728 -3.830 -4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.245 -3.407 -2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.943 -2.817 -3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.733 -4.333 -2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.565 -5.328 -2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.105 -6.331 -2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.252 -6.192 -4.162 1.00 0.00 H new ATOM 474 N CYS A 32 1.441 -2.933 -7.292 1.00 0.00 N ATOM 475 CA CYS A 32 2.280 -1.924 -7.935 1.00 0.00 C ATOM 476 C CYS A 32 1.525 -0.596 -8.018 1.00 0.00 C ATOM 477 O CYS A 32 2.057 0.449 -7.660 1.00 0.00 O ATOM 478 CB CYS A 32 2.757 -2.360 -9.321 1.00 0.00 C ATOM 479 SG CYS A 32 4.107 -1.350 -9.977 1.00 0.00 S ATOM 0 H CYS A 32 1.254 -3.766 -7.850 1.00 0.00 H new ATOM 0 HA CYS A 32 3.172 -1.797 -7.321 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.083 -3.399 -9.273 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.916 -2.321 -10.014 1.00 0.00 H new ATOM 0 HG CYS A 32 4.448 -1.791 -11.151 1.00 0.00 H new ATOM 485 N ASP A 33 0.259 -0.678 -8.377 1.00 0.00 N ATOM 486 CA ASP A 33 -0.619 0.484 -8.492 1.00 0.00 C ATOM 487 C ASP A 33 -0.822 1.121 -7.132 1.00 0.00 C ATOM 488 O ASP A 33 -0.726 2.333 -6.972 1.00 0.00 O ATOM 489 CB ASP A 33 -1.968 0.047 -9.076 1.00 0.00 C ATOM 490 CG ASP A 33 -1.865 -0.403 -10.497 1.00 0.00 C ATOM 491 OD1 ASP A 33 -1.535 -1.585 -10.740 1.00 0.00 O ATOM 492 OD2 ASP A 33 -2.113 0.410 -11.412 1.00 0.00 O ATOM 0 H ASP A 33 -0.200 -1.561 -8.601 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.160 1.218 -9.154 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.375 -0.764 -8.472 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.672 0.877 -9.012 1.00 0.00 H new ATOM 497 N LEU A 34 -1.037 0.270 -6.158 1.00 0.00 N ATOM 498 CA LEU A 34 -1.266 0.650 -4.766 1.00 0.00 C ATOM 499 C LEU A 34 -0.055 1.412 -4.229 1.00 0.00 C ATOM 500 O LEU A 34 -0.189 2.481 -3.625 1.00 0.00 O ATOM 501 CB LEU A 34 -1.578 -0.659 -3.951 1.00 0.00 C ATOM 502 CG LEU A 34 -1.781 -0.621 -2.404 1.00 0.00 C ATOM 503 CD1 LEU A 34 -0.482 -0.406 -1.653 1.00 0.00 C ATOM 504 CD2 LEU A 34 -2.811 0.410 -1.989 1.00 0.00 C ATOM 0 H LEU A 34 -1.060 -0.739 -6.306 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.118 1.323 -4.671 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.482 -1.093 -4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.765 -1.358 -4.148 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.160 -1.606 -2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.680 -0.388 -0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.209 -1.218 -1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.039 0.543 -1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.919 0.400 -0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.487 1.399 -2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.769 0.173 -2.451 1.00 0.00 H new ATOM 516 N LYS A 35 1.117 0.878 -4.495 1.00 0.00 N ATOM 517 CA LYS A 35 2.350 1.473 -4.058 1.00 0.00 C ATOM 518 C LYS A 35 2.576 2.785 -4.759 1.00 0.00 C ATOM 519 O LYS A 35 2.992 3.742 -4.147 1.00 0.00 O ATOM 520 CB LYS A 35 3.511 0.533 -4.306 1.00 0.00 C ATOM 521 CG LYS A 35 3.397 -0.762 -3.534 1.00 0.00 C ATOM 522 CD LYS A 35 4.560 -1.702 -3.785 1.00 0.00 C ATOM 523 CE LYS A 35 4.721 -2.131 -5.218 1.00 0.00 C ATOM 524 NZ LYS A 35 5.838 -3.090 -5.355 1.00 0.00 N ATOM 0 H LYS A 35 1.236 0.014 -5.024 1.00 0.00 H new ATOM 0 HA LYS A 35 2.282 1.660 -2.986 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.570 0.311 -5.371 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.441 1.032 -4.032 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.339 -0.540 -2.468 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.467 -1.261 -3.807 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.480 -1.216 -3.460 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.433 -2.590 -3.166 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.797 -2.589 -5.572 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.905 -1.259 -5.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.339 -2.914 -6.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.497 -2.971 -4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.464 -4.061 -5.353 1.00 0.00 H new ATOM 538 N LYS A 36 2.268 2.828 -6.045 1.00 0.00 N ATOM 539 CA LYS A 36 2.402 4.049 -6.828 1.00 0.00 C ATOM 540 C LYS A 36 1.499 5.163 -6.296 1.00 0.00 C ATOM 541 O LYS A 36 1.875 6.345 -6.325 1.00 0.00 O ATOM 542 CB LYS A 36 2.143 3.795 -8.318 1.00 0.00 C ATOM 543 CG LYS A 36 3.393 3.509 -9.174 1.00 0.00 C ATOM 544 CD LYS A 36 4.219 2.311 -8.700 1.00 0.00 C ATOM 545 CE LYS A 36 5.395 2.060 -9.649 1.00 0.00 C ATOM 546 NZ LYS A 36 6.250 0.912 -9.243 1.00 0.00 N ATOM 0 H LYS A 36 1.921 2.027 -6.573 1.00 0.00 H new ATOM 0 HA LYS A 36 3.434 4.383 -6.723 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.461 2.950 -8.411 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.632 4.664 -8.733 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.082 3.336 -10.204 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.028 4.395 -9.177 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.591 2.494 -7.692 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.588 1.424 -8.651 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.010 1.879 -10.652 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.008 2.959 -9.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.121 0.910 -9.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.493 1.000 -8.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.734 0.023 -9.398 1.00 0.00 H new ATOM 560 N GLN A 37 0.327 4.795 -5.792 1.00 0.00 N ATOM 561 CA GLN A 37 -0.569 5.764 -5.185 1.00 0.00 C ATOM 562 C GLN A 37 0.058 6.339 -3.931 1.00 0.00 C ATOM 563 O GLN A 37 0.156 7.547 -3.775 1.00 0.00 O ATOM 564 CB GLN A 37 -1.931 5.151 -4.827 1.00 0.00 C ATOM 565 CG GLN A 37 -2.718 4.608 -6.000 1.00 0.00 C ATOM 566 CD GLN A 37 -2.897 5.623 -7.104 1.00 0.00 C ATOM 567 OE1 GLN A 37 -2.088 5.703 -8.025 1.00 0.00 O ATOM 568 NE2 GLN A 37 -3.927 6.414 -7.020 1.00 0.00 N ATOM 0 H GLN A 37 -0.021 3.836 -5.793 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.734 6.551 -5.921 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.772 4.344 -4.111 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.533 5.909 -4.325 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.209 3.730 -6.398 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.697 4.278 -5.653 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.580 6.321 -6.242 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.082 7.127 -7.732 1.00 0.00 H new ATOM 577 N ILE A 38 0.527 5.460 -3.074 1.00 0.00 N ATOM 578 CA ILE A 38 1.095 5.854 -1.790 1.00 0.00 C ATOM 579 C ILE A 38 2.421 6.599 -1.965 1.00 0.00 C ATOM 580 O ILE A 38 2.619 7.674 -1.390 1.00 0.00 O ATOM 581 CB ILE A 38 1.285 4.622 -0.862 1.00 0.00 C ATOM 582 CG1 ILE A 38 -0.074 3.954 -0.606 1.00 0.00 C ATOM 583 CG2 ILE A 38 1.956 5.023 0.465 1.00 0.00 C ATOM 584 CD1 ILE A 38 0.006 2.680 0.201 1.00 0.00 C ATOM 0 H ILE A 38 0.529 4.454 -3.240 1.00 0.00 H new ATOM 0 HA ILE A 38 0.387 6.536 -1.320 1.00 0.00 H new ATOM 0 HB ILE A 38 1.944 3.910 -1.359 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.721 4.660 -0.086 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.545 3.735 -1.564 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.076 4.140 1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.934 5.459 0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.334 5.754 0.981 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.996 2.272 0.337 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.625 1.954 -0.326 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.446 2.893 1.175 1.00 0.00 H new ATOM 596 N MET A 39 3.299 6.054 -2.790 1.00 0.00 N ATOM 597 CA MET A 39 4.614 6.647 -3.010 1.00 0.00 C ATOM 598 C MET A 39 4.497 8.016 -3.629 1.00 0.00 C ATOM 599 O MET A 39 5.148 8.956 -3.179 1.00 0.00 O ATOM 600 CB MET A 39 5.534 5.751 -3.854 1.00 0.00 C ATOM 601 CG MET A 39 5.882 4.421 -3.198 1.00 0.00 C ATOM 602 SD MET A 39 7.062 3.438 -4.143 1.00 0.00 S ATOM 603 CE MET A 39 6.166 3.179 -5.663 1.00 0.00 C ATOM 0 H MET A 39 3.128 5.200 -3.321 1.00 0.00 H new ATOM 0 HA MET A 39 5.076 6.745 -2.027 1.00 0.00 H new ATOM 0 HB2 MET A 39 5.053 5.556 -4.813 1.00 0.00 H new ATOM 0 HB3 MET A 39 6.456 6.292 -4.064 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.292 4.611 -2.206 1.00 0.00 H new ATOM 0 HG3 MET A 39 4.968 3.843 -3.060 1.00 0.00 H new ATOM 0 HE1 MET A 39 6.726 2.498 -6.304 1.00 0.00 H new ATOM 0 HE2 MET A 39 5.190 2.748 -5.441 1.00 0.00 H new ATOM 0 HE3 MET A 39 6.034 4.132 -6.175 1.00 0.00 H new ATOM 613 N GLY A 40 3.637 8.139 -4.618 1.00 0.00 N ATOM 614 CA GLY A 40 3.434 9.408 -5.263 1.00 0.00 C ATOM 615 C GLY A 40 2.784 10.409 -4.340 1.00 0.00 C ATOM 616 O GLY A 40 3.163 11.580 -4.320 1.00 0.00 O ATOM 0 H GLY A 40 3.071 7.375 -4.988 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.392 9.799 -5.606 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.811 9.271 -6.147 1.00 0.00 H new ATOM 620 N ARG A 41 1.841 9.942 -3.543 1.00 0.00 N ATOM 621 CA ARG A 41 1.138 10.790 -2.605 1.00 0.00 C ATOM 622 C ARG A 41 2.091 11.338 -1.556 1.00 0.00 C ATOM 623 O ARG A 41 2.172 12.546 -1.341 1.00 0.00 O ATOM 624 CB ARG A 41 0.027 10.001 -1.893 1.00 0.00 C ATOM 625 CG ARG A 41 -0.658 10.782 -0.787 1.00 0.00 C ATOM 626 CD ARG A 41 -1.517 9.900 0.096 1.00 0.00 C ATOM 627 NE ARG A 41 -2.732 9.383 -0.555 1.00 0.00 N ATOM 628 CZ ARG A 41 -3.782 8.907 0.135 1.00 0.00 C ATOM 629 NH1 ARG A 41 -3.674 8.726 1.434 1.00 0.00 N ATOM 630 NH2 ARG A 41 -4.900 8.564 -0.481 1.00 0.00 N ATOM 0 H ARG A 41 1.543 8.967 -3.529 1.00 0.00 H new ATOM 0 HA ARG A 41 0.702 11.615 -3.169 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.719 9.697 -2.627 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.452 9.089 -1.473 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.096 11.279 -0.176 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.277 11.564 -1.228 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.917 9.057 0.439 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.807 10.466 0.981 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.779 9.386 -1.574 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.799 8.947 1.909 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.466 8.365 1.966 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.974 8.659 -1.494 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.689 8.204 0.056 1.00 0.00 H new ATOM 644 N GLU A 42 2.838 10.459 -0.940 1.00 0.00 N ATOM 645 CA GLU A 42 3.636 10.845 0.193 1.00 0.00 C ATOM 646 C GLU A 42 5.079 11.144 -0.132 1.00 0.00 C ATOM 647 O GLU A 42 5.911 11.295 0.773 1.00 0.00 O ATOM 648 CB GLU A 42 3.528 9.831 1.271 1.00 0.00 C ATOM 649 CG GLU A 42 2.064 9.597 1.686 1.00 0.00 C ATOM 650 CD GLU A 42 1.863 8.733 2.903 1.00 0.00 C ATOM 651 OE1 GLU A 42 2.198 9.192 4.028 1.00 0.00 O ATOM 652 OE2 GLU A 42 1.253 7.645 2.801 1.00 0.00 O ATOM 0 H GLU A 42 2.910 9.476 -1.202 1.00 0.00 H new ATOM 0 HA GLU A 42 3.223 11.792 0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.965 8.892 0.933 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.104 10.157 2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.598 10.565 1.869 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.536 9.142 0.848 1.00 0.00 H new ATOM 659 N LYS A 43 5.363 11.240 -1.407 1.00 0.00 N ATOM 660 CA LYS A 43 6.657 11.688 -1.938 1.00 0.00 C ATOM 661 C LYS A 43 7.775 10.690 -1.641 1.00 0.00 C ATOM 662 O LYS A 43 8.922 11.078 -1.380 1.00 0.00 O ATOM 663 CB LYS A 43 7.044 13.098 -1.401 1.00 0.00 C ATOM 664 CG LYS A 43 5.921 14.146 -1.412 1.00 0.00 C ATOM 665 CD LYS A 43 5.098 14.074 -2.674 1.00 0.00 C ATOM 666 CE LYS A 43 4.153 15.252 -2.797 1.00 0.00 C ATOM 667 NZ LYS A 43 3.390 15.220 -4.061 1.00 0.00 N ATOM 0 H LYS A 43 4.691 11.005 -2.137 1.00 0.00 H new ATOM 0 HA LYS A 43 6.538 11.752 -3.020 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.406 12.990 -0.378 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.876 13.477 -1.995 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.274 13.995 -0.548 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.353 15.142 -1.316 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.761 14.048 -3.539 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.526 13.146 -2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.460 15.250 -1.955 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.722 16.180 -2.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.756 16.043 -4.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.049 15.248 -4.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.827 14.347 -4.105 1.00 0.00 H new ATOM 681 N LEU A 44 7.469 9.417 -1.733 1.00 0.00 N ATOM 682 CA LEU A 44 8.471 8.396 -1.504 1.00 0.00 C ATOM 683 C LEU A 44 9.400 8.294 -2.723 1.00 0.00 C ATOM 684 O LEU A 44 9.095 8.847 -3.774 1.00 0.00 O ATOM 685 CB LEU A 44 7.866 7.013 -1.192 1.00 0.00 C ATOM 686 CG LEU A 44 7.311 6.784 0.226 1.00 0.00 C ATOM 687 CD1 LEU A 44 6.131 7.671 0.538 1.00 0.00 C ATOM 688 CD2 LEU A 44 6.939 5.337 0.416 1.00 0.00 C ATOM 0 H LEU A 44 6.541 9.062 -1.963 1.00 0.00 H new ATOM 0 HA LEU A 44 9.035 8.701 -0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.060 6.830 -1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.632 6.261 -1.379 1.00 0.00 H new ATOM 0 HG LEU A 44 8.105 7.050 0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.780 7.467 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.431 8.716 0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.328 7.471 -0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.548 5.191 1.423 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.178 5.058 -0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.821 4.713 0.275 1.00 0.00 H new ATOM 700 N LYS A 45 10.513 7.608 -2.601 1.00 0.00 N ATOM 701 CA LYS A 45 11.402 7.470 -3.747 1.00 0.00 C ATOM 702 C LYS A 45 11.324 6.073 -4.356 1.00 0.00 C ATOM 703 O LYS A 45 11.912 5.110 -3.842 1.00 0.00 O ATOM 704 CB LYS A 45 12.877 7.912 -3.482 1.00 0.00 C ATOM 705 CG LYS A 45 13.657 7.157 -2.402 1.00 0.00 C ATOM 706 CD LYS A 45 13.254 7.531 -0.984 1.00 0.00 C ATOM 707 CE LYS A 45 13.592 8.991 -0.636 1.00 0.00 C ATOM 708 NZ LYS A 45 15.046 9.276 -0.707 1.00 0.00 N ATOM 0 H LYS A 45 10.825 7.145 -1.747 1.00 0.00 H new ATOM 0 HA LYS A 45 11.028 8.181 -4.484 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.428 7.824 -4.418 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.869 8.969 -3.215 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.510 6.086 -2.542 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.722 7.352 -2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.183 7.371 -0.861 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.758 6.868 -0.281 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.062 9.655 -1.319 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.231 9.213 0.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.234 10.222 -0.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.566 8.566 -0.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.359 9.240 -1.698 1.00 0.00 H new ATOM 722 N ALA A 46 10.618 5.975 -5.459 1.00 0.00 N ATOM 723 CA ALA A 46 10.382 4.704 -6.136 1.00 0.00 C ATOM 724 C ALA A 46 11.612 4.248 -6.915 1.00 0.00 C ATOM 725 O ALA A 46 11.700 3.097 -7.349 1.00 0.00 O ATOM 726 CB ALA A 46 9.191 4.834 -7.068 1.00 0.00 C ATOM 0 H ALA A 46 10.185 6.775 -5.921 1.00 0.00 H new ATOM 0 HA ALA A 46 10.172 3.949 -5.378 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.018 3.883 -7.572 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.306 5.106 -6.492 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.392 5.606 -7.810 1.00 0.00 H new ATOM 732 N ALA A 47 12.556 5.147 -7.099 1.00 0.00 N ATOM 733 CA ALA A 47 13.761 4.830 -7.842 1.00 0.00 C ATOM 734 C ALA A 47 14.827 4.188 -6.952 1.00 0.00 C ATOM 735 O ALA A 47 15.876 3.748 -7.439 1.00 0.00 O ATOM 736 CB ALA A 47 14.308 6.066 -8.534 1.00 0.00 C ATOM 0 H ALA A 47 12.514 6.103 -6.745 1.00 0.00 H new ATOM 0 HA ALA A 47 13.491 4.099 -8.604 1.00 0.00 H new ATOM 0 HB1 ALA A 47 15.211 5.805 -9.085 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.561 6.456 -9.226 1.00 0.00 H new ATOM 0 HB3 ALA A 47 14.544 6.826 -7.789 1.00 0.00 H new ATOM 742 N ASP A 48 14.579 4.141 -5.656 1.00 0.00 N ATOM 743 CA ASP A 48 15.538 3.518 -4.735 1.00 0.00 C ATOM 744 C ASP A 48 14.874 2.475 -3.889 1.00 0.00 C ATOM 745 O ASP A 48 15.477 1.457 -3.525 1.00 0.00 O ATOM 746 CB ASP A 48 16.192 4.539 -3.812 1.00 0.00 C ATOM 747 CG ASP A 48 17.214 3.889 -2.890 1.00 0.00 C ATOM 748 OD1 ASP A 48 18.320 3.557 -3.358 1.00 0.00 O ATOM 749 OD2 ASP A 48 16.927 3.711 -1.682 1.00 0.00 O ATOM 0 H ASP A 48 13.740 4.517 -5.214 1.00 0.00 H new ATOM 0 HA ASP A 48 16.305 3.060 -5.360 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.679 5.310 -4.409 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.426 5.034 -3.215 1.00 0.00 H new ATOM 754 N CYS A 49 13.649 2.697 -3.575 1.00 0.00 N ATOM 755 CA CYS A 49 12.971 1.815 -2.711 1.00 0.00 C ATOM 756 C CYS A 49 11.640 1.381 -3.298 1.00 0.00 C ATOM 757 O CYS A 49 11.110 2.008 -4.217 1.00 0.00 O ATOM 758 CB CYS A 49 12.780 2.475 -1.344 1.00 0.00 C ATOM 759 SG CYS A 49 14.315 2.854 -0.443 1.00 0.00 S ATOM 0 H CYS A 49 13.097 3.488 -3.908 1.00 0.00 H new ATOM 0 HA CYS A 49 13.576 0.917 -2.587 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.220 3.400 -1.481 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.167 1.820 -0.725 1.00 0.00 H new ATOM 0 HG CYS A 49 15.238 3.208 -1.288 1.00 0.00 H new ATOM 765 N ASP A 50 11.142 0.312 -2.761 1.00 0.00 N ATOM 766 CA ASP A 50 9.882 -0.275 -3.114 1.00 0.00 C ATOM 767 C ASP A 50 9.046 -0.235 -1.862 1.00 0.00 C ATOM 768 O ASP A 50 9.557 0.077 -0.770 1.00 0.00 O ATOM 769 CB ASP A 50 10.033 -1.733 -3.568 1.00 0.00 C ATOM 770 CG ASP A 50 8.802 -2.247 -4.318 1.00 0.00 C ATOM 771 OD1 ASP A 50 7.855 -2.733 -3.686 1.00 0.00 O ATOM 772 OD2 ASP A 50 8.748 -2.149 -5.558 1.00 0.00 O ATOM 0 H ASP A 50 11.626 -0.204 -2.026 1.00 0.00 H new ATOM 0 HA ASP A 50 9.434 0.271 -3.944 1.00 0.00 H new ATOM 0 HB2 ASP A 50 10.908 -1.820 -4.211 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.213 -2.364 -2.698 1.00 0.00 H new ATOM 777 N LEU A 51 7.827 -0.546 -1.969 1.00 0.00 N ATOM 778 CA LEU A 51 6.957 -0.417 -0.886 1.00 0.00 C ATOM 779 C LEU A 51 6.399 -1.806 -0.530 1.00 0.00 C ATOM 780 O LEU A 51 5.775 -2.459 -1.325 1.00 0.00 O ATOM 781 CB LEU A 51 5.883 0.590 -1.290 1.00 0.00 C ATOM 782 CG LEU A 51 5.046 1.161 -0.198 1.00 0.00 C ATOM 783 CD1 LEU A 51 5.946 1.835 0.820 1.00 0.00 C ATOM 784 CD2 LEU A 51 4.076 2.171 -0.763 1.00 0.00 C ATOM 0 H LEU A 51 7.397 -0.903 -2.822 1.00 0.00 H new ATOM 0 HA LEU A 51 7.448 -0.044 0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.370 1.415 -1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.220 0.108 -2.008 1.00 0.00 H new ATOM 0 HG LEU A 51 4.483 0.360 0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.338 2.255 1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.638 1.102 1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.509 2.633 0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.469 2.583 0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.629 2.975 -1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.429 1.685 -1.493 1.00 0.00 H new ATOM 796 N GLN A 52 6.672 -2.270 0.636 1.00 0.00 N ATOM 797 CA GLN A 52 6.224 -3.580 1.014 1.00 0.00 C ATOM 798 C GLN A 52 5.013 -3.433 1.886 1.00 0.00 C ATOM 799 O GLN A 52 5.044 -2.749 2.904 1.00 0.00 O ATOM 800 CB GLN A 52 7.323 -4.351 1.722 1.00 0.00 C ATOM 801 CG GLN A 52 7.410 -5.827 1.327 1.00 0.00 C ATOM 802 CD GLN A 52 7.958 -6.082 -0.105 1.00 0.00 C ATOM 803 OE1 GLN A 52 7.744 -5.179 -1.049 1.00 0.00 O flip ATOM 804 NE2 GLN A 52 8.581 -7.107 -0.349 1.00 0.00 N flip ATOM 0 H GLN A 52 7.202 -1.771 1.350 1.00 0.00 H new ATOM 0 HA GLN A 52 5.964 -4.151 0.123 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.280 -3.873 1.511 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.163 -4.283 2.798 1.00 0.00 H new ATOM 0 HG2 GLN A 52 8.048 -6.344 2.044 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.417 -6.270 1.406 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.739 -7.795 0.387 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.942 -7.273 -1.288 1.00 0.00 H new ATOM 813 N ILE A 53 3.958 -4.043 1.488 1.00 0.00 N ATOM 814 CA ILE A 53 2.706 -3.863 2.154 1.00 0.00 C ATOM 815 C ILE A 53 2.349 -5.144 2.881 1.00 0.00 C ATOM 816 O ILE A 53 2.462 -6.219 2.335 1.00 0.00 O ATOM 817 CB ILE A 53 1.610 -3.499 1.118 1.00 0.00 C ATOM 818 CG1 ILE A 53 2.072 -2.340 0.213 1.00 0.00 C ATOM 819 CG2 ILE A 53 0.291 -3.148 1.788 1.00 0.00 C ATOM 820 CD1 ILE A 53 2.369 -1.035 0.896 1.00 0.00 C ATOM 0 H ILE A 53 3.930 -4.682 0.693 1.00 0.00 H new ATOM 0 HA ILE A 53 2.779 -3.050 2.876 1.00 0.00 H new ATOM 0 HB ILE A 53 1.446 -4.383 0.502 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.968 -2.659 -0.319 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.301 -2.165 -0.538 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.449 -2.899 1.027 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.059 -4.000 2.370 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.434 -2.292 2.448 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.684 -0.300 0.155 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.473 -0.678 1.404 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.166 -1.179 1.625 1.00 0.00 H new ATOM 832 N THR A 54 2.000 -5.033 4.107 1.00 0.00 N ATOM 833 CA THR A 54 1.625 -6.170 4.902 1.00 0.00 C ATOM 834 C THR A 54 0.168 -6.026 5.336 1.00 0.00 C ATOM 835 O THR A 54 -0.263 -4.940 5.631 1.00 0.00 O ATOM 836 CB THR A 54 2.537 -6.226 6.133 1.00 0.00 C ATOM 837 OG1 THR A 54 3.895 -6.232 5.692 1.00 0.00 O ATOM 838 CG2 THR A 54 2.271 -7.459 6.980 1.00 0.00 C ATOM 0 H THR A 54 1.962 -4.144 4.606 1.00 0.00 H new ATOM 0 HA THR A 54 1.731 -7.088 4.324 1.00 0.00 H new ATOM 0 HB THR A 54 2.334 -5.353 6.754 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.317 -5.377 5.919 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.938 -7.459 7.842 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.236 -7.449 7.322 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.447 -8.355 6.384 1.00 0.00 H new ATOM 846 N ASN A 55 -0.592 -7.100 5.318 1.00 0.00 N ATOM 847 CA ASN A 55 -1.972 -7.061 5.800 1.00 0.00 C ATOM 848 C ASN A 55 -1.952 -6.788 7.288 1.00 0.00 C ATOM 849 O ASN A 55 -1.146 -7.363 8.005 1.00 0.00 O ATOM 850 CB ASN A 55 -2.671 -8.379 5.549 1.00 0.00 C ATOM 851 CG ASN A 55 -4.157 -8.283 5.709 1.00 0.00 C ATOM 852 OD1 ASN A 55 -4.681 -8.377 6.806 1.00 0.00 O ATOM 853 ND2 ASN A 55 -4.844 -8.154 4.643 1.00 0.00 N ATOM 0 H ASN A 55 -0.287 -8.012 4.978 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.512 -6.278 5.268 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.439 -8.723 4.541 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.283 -9.129 6.238 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.862 -8.127 4.693 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.375 -8.078 3.740 1.00 0.00 H new ATOM 860 N ALA A 56 -2.812 -5.923 7.748 1.00 0.00 N ATOM 861 CA ALA A 56 -2.837 -5.550 9.151 1.00 0.00 C ATOM 862 C ALA A 56 -3.479 -6.633 10.002 1.00 0.00 C ATOM 863 O ALA A 56 -3.178 -6.776 11.192 1.00 0.00 O ATOM 864 CB ALA A 56 -3.585 -4.249 9.322 1.00 0.00 C ATOM 0 H ALA A 56 -3.513 -5.455 7.174 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.807 -5.426 9.486 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.601 -3.974 10.377 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.088 -3.466 8.750 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.607 -4.367 8.963 1.00 0.00 H new ATOM 870 N GLN A 57 -4.333 -7.396 9.390 1.00 0.00 N ATOM 871 CA GLN A 57 -5.074 -8.418 10.081 1.00 0.00 C ATOM 872 C GLN A 57 -4.417 -9.782 9.967 1.00 0.00 C ATOM 873 O GLN A 57 -4.171 -10.441 10.974 1.00 0.00 O ATOM 874 CB GLN A 57 -6.499 -8.481 9.549 1.00 0.00 C ATOM 875 CG GLN A 57 -7.314 -7.234 9.825 1.00 0.00 C ATOM 876 CD GLN A 57 -8.740 -7.378 9.367 1.00 0.00 C ATOM 877 OE1 GLN A 57 -9.595 -7.845 10.119 1.00 0.00 O ATOM 878 NE2 GLN A 57 -9.016 -6.985 8.160 1.00 0.00 N ATOM 0 H GLN A 57 -4.539 -7.330 8.393 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.088 -8.150 11.137 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.467 -8.651 8.473 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.004 -9.339 9.993 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.297 -7.019 10.893 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.856 -6.383 9.321 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -8.279 -6.603 7.567 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.970 -7.058 7.805 1.00 0.00 H new ATOM 887 N THR A 58 -4.119 -10.196 8.758 1.00 0.00 N ATOM 888 CA THR A 58 -3.608 -11.529 8.529 1.00 0.00 C ATOM 889 C THR A 58 -2.090 -11.530 8.605 1.00 0.00 C ATOM 890 O THR A 58 -1.462 -12.569 8.792 1.00 0.00 O ATOM 891 CB THR A 58 -4.052 -12.039 7.138 1.00 0.00 C ATOM 892 OG1 THR A 58 -3.415 -11.268 6.127 1.00 0.00 O ATOM 893 CG2 THR A 58 -5.547 -11.865 6.959 1.00 0.00 C ATOM 0 H THR A 58 -4.221 -9.629 7.916 1.00 0.00 H new ATOM 0 HA THR A 58 -4.007 -12.189 9.299 1.00 0.00 H new ATOM 0 HB THR A 58 -3.784 -13.093 7.063 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.647 -11.628 5.246 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.840 -12.229 5.975 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.074 -12.431 7.727 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.803 -10.809 7.046 1.00 0.00 H new ATOM 901 N LYS A 59 -1.519 -10.332 8.469 1.00 0.00 N ATOM 902 CA LYS A 59 -0.082 -10.095 8.450 1.00 0.00 C ATOM 903 C LYS A 59 0.585 -10.711 7.229 1.00 0.00 C ATOM 904 O LYS A 59 1.802 -10.924 7.211 1.00 0.00 O ATOM 905 CB LYS A 59 0.612 -10.488 9.770 1.00 0.00 C ATOM 906 CG LYS A 59 0.088 -9.731 11.001 1.00 0.00 C ATOM 907 CD LYS A 59 0.132 -8.198 10.829 1.00 0.00 C ATOM 908 CE LYS A 59 1.546 -7.642 10.629 1.00 0.00 C ATOM 909 NZ LYS A 59 2.411 -7.843 11.807 1.00 0.00 N ATOM 0 H LYS A 59 -2.064 -9.476 8.366 1.00 0.00 H new ATOM 0 HA LYS A 59 0.047 -9.016 8.363 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.483 -11.558 9.932 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.683 -10.307 9.674 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.938 -10.039 11.201 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.680 -10.011 11.872 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.483 -7.919 9.973 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.312 -7.730 11.707 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.001 -8.123 9.763 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.485 -6.577 10.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.344 -7.418 11.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.977 -7.391 12.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.523 -8.861 11.986 1.00 0.00 H new ATOM 923 N GLU A 60 -0.209 -10.947 6.190 1.00 0.00 N ATOM 924 CA GLU A 60 0.292 -11.420 4.941 1.00 0.00 C ATOM 925 C GLU A 60 1.069 -10.323 4.260 1.00 0.00 C ATOM 926 O GLU A 60 0.543 -9.229 4.018 1.00 0.00 O ATOM 927 CB GLU A 60 -0.855 -11.852 4.079 1.00 0.00 C ATOM 928 CG GLU A 60 -1.435 -13.185 4.447 1.00 0.00 C ATOM 929 CD GLU A 60 -2.693 -13.459 3.682 1.00 0.00 C ATOM 930 OE1 GLU A 60 -3.761 -12.974 4.099 1.00 0.00 O ATOM 931 OE2 GLU A 60 -2.654 -14.141 2.648 1.00 0.00 O ATOM 0 H GLU A 60 -1.220 -10.810 6.209 1.00 0.00 H new ATOM 0 HA GLU A 60 0.954 -12.270 5.108 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.641 -11.099 4.136 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.522 -11.888 3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.706 -13.970 4.246 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.644 -13.211 5.516 1.00 0.00 H new ATOM 938 N GLU A 61 2.300 -10.596 3.987 1.00 0.00 N ATOM 939 CA GLU A 61 3.169 -9.668 3.390 1.00 0.00 C ATOM 940 C GLU A 61 3.120 -9.775 1.909 1.00 0.00 C ATOM 941 O GLU A 61 3.446 -10.809 1.316 1.00 0.00 O ATOM 942 CB GLU A 61 4.554 -9.877 3.906 1.00 0.00 C ATOM 943 CG GLU A 61 4.659 -9.493 5.346 1.00 0.00 C ATOM 944 CD GLU A 61 5.952 -9.874 5.983 1.00 0.00 C ATOM 945 OE1 GLU A 61 6.137 -11.062 6.305 1.00 0.00 O ATOM 946 OE2 GLU A 61 6.801 -8.990 6.233 1.00 0.00 O ATOM 0 H GLU A 61 2.731 -11.499 4.183 1.00 0.00 H new ATOM 0 HA GLU A 61 2.850 -8.659 3.651 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.836 -10.923 3.785 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.257 -9.287 3.318 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.526 -8.415 5.434 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.843 -9.961 5.897 1.00 0.00 H new ATOM 953 N TYR A 62 2.714 -8.720 1.325 1.00 0.00 N ATOM 954 CA TYR A 62 2.590 -8.629 -0.087 1.00 0.00 C ATOM 955 C TYR A 62 3.927 -8.182 -0.640 1.00 0.00 C ATOM 956 O TYR A 62 4.252 -6.987 -0.650 1.00 0.00 O ATOM 957 CB TYR A 62 1.484 -7.646 -0.468 1.00 0.00 C ATOM 958 CG TYR A 62 0.146 -7.948 0.175 1.00 0.00 C ATOM 959 CD1 TYR A 62 -0.618 -9.030 -0.231 1.00 0.00 C ATOM 960 CD2 TYR A 62 -0.353 -7.141 1.185 1.00 0.00 C ATOM 961 CE1 TYR A 62 -1.838 -9.298 0.351 1.00 0.00 C ATOM 962 CE2 TYR A 62 -1.568 -7.402 1.774 1.00 0.00 C ATOM 963 CZ TYR A 62 -2.310 -8.477 1.357 1.00 0.00 C ATOM 964 OH TYR A 62 -3.537 -8.729 1.945 1.00 0.00 O ATOM 0 H TYR A 62 2.450 -7.869 1.820 1.00 0.00 H new ATOM 0 HA TYR A 62 2.317 -9.597 -0.507 1.00 0.00 H new ATOM 0 HB2 TYR A 62 1.793 -6.640 -0.186 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.365 -7.651 -1.551 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.251 -9.674 -1.017 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.224 -6.290 1.516 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.422 -10.145 0.023 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.936 -6.762 2.562 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.719 -9.692 1.922 1.00 0.00 H new ATOM 974 N THR A 63 4.725 -9.145 -0.997 1.00 0.00 N ATOM 975 CA THR A 63 6.053 -8.911 -1.482 1.00 0.00 C ATOM 976 C THR A 63 6.081 -8.820 -3.008 1.00 0.00 C ATOM 977 O THR A 63 7.037 -8.301 -3.603 1.00 0.00 O ATOM 978 CB THR A 63 6.954 -10.057 -0.997 1.00 0.00 C ATOM 979 OG1 THR A 63 6.315 -11.311 -1.310 1.00 0.00 O ATOM 980 CG2 THR A 63 7.174 -9.974 0.513 1.00 0.00 C ATOM 0 H THR A 63 4.467 -10.131 -0.959 1.00 0.00 H new ATOM 0 HA THR A 63 6.414 -7.958 -1.096 1.00 0.00 H new ATOM 0 HB THR A 63 7.921 -9.981 -1.494 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.881 -12.051 -1.007 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.815 -10.796 0.833 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.650 -9.025 0.760 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.214 -10.042 1.025 1.00 0.00 H new ATOM 988 N ASP A 64 5.025 -9.318 -3.629 1.00 0.00 N ATOM 989 CA ASP A 64 4.913 -9.345 -5.075 1.00 0.00 C ATOM 990 C ASP A 64 4.022 -8.234 -5.524 1.00 0.00 C ATOM 991 O ASP A 64 2.895 -8.135 -5.067 1.00 0.00 O ATOM 992 CB ASP A 64 4.316 -10.667 -5.564 1.00 0.00 C ATOM 993 CG ASP A 64 5.130 -11.869 -5.196 1.00 0.00 C ATOM 994 OD1 ASP A 64 6.229 -12.066 -5.765 1.00 0.00 O ATOM 995 OD2 ASP A 64 4.674 -12.673 -4.359 1.00 0.00 O ATOM 0 H ASP A 64 4.221 -9.715 -3.143 1.00 0.00 H new ATOM 0 HA ASP A 64 5.915 -9.234 -5.490 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.314 -10.778 -5.150 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.211 -10.629 -6.648 1.00 0.00 H new ATOM 1000 N ASP A 65 4.479 -7.441 -6.468 1.00 0.00 N ATOM 1001 CA ASP A 65 3.728 -6.277 -6.965 1.00 0.00 C ATOM 1002 C ASP A 65 2.469 -6.663 -7.726 1.00 0.00 C ATOM 1003 O ASP A 65 1.652 -5.804 -8.065 1.00 0.00 O ATOM 1004 CB ASP A 65 4.596 -5.320 -7.791 1.00 0.00 C ATOM 1005 CG ASP A 65 5.121 -5.906 -9.085 1.00 0.00 C ATOM 1006 OD1 ASP A 65 6.069 -6.729 -9.046 1.00 0.00 O ATOM 1007 OD2 ASP A 65 4.642 -5.521 -10.162 1.00 0.00 O ATOM 0 H ASP A 65 5.382 -7.574 -6.923 1.00 0.00 H new ATOM 0 HA ASP A 65 3.411 -5.741 -6.071 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.013 -4.428 -8.021 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.442 -5.000 -7.182 1.00 0.00 H new ATOM 1012 N ASN A 66 2.308 -7.944 -7.956 1.00 0.00 N ATOM 1013 CA ASN A 66 1.117 -8.486 -8.603 1.00 0.00 C ATOM 1014 C ASN A 66 0.051 -8.860 -7.583 1.00 0.00 C ATOM 1015 O ASN A 66 -1.037 -9.302 -7.954 1.00 0.00 O ATOM 1016 CB ASN A 66 1.458 -9.696 -9.470 1.00 0.00 C ATOM 1017 CG ASN A 66 2.159 -9.327 -10.756 1.00 0.00 C ATOM 1018 OD1 ASN A 66 1.529 -9.159 -11.801 1.00 0.00 O ATOM 1019 ND2 ASN A 66 3.438 -9.147 -10.692 1.00 0.00 N ATOM 0 H ASN A 66 2.998 -8.651 -7.702 1.00 0.00 H new ATOM 0 HA ASN A 66 0.718 -7.701 -9.245 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.091 -10.376 -8.901 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.541 -10.236 -9.705 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.954 -8.857 -11.523 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.930 -9.295 -9.811 1.00 0.00 H new ATOM 1026 N ALA A 67 0.368 -8.703 -6.296 1.00 0.00 N ATOM 1027 CA ALA A 67 -0.601 -8.951 -5.232 1.00 0.00 C ATOM 1028 C ALA A 67 -1.668 -7.874 -5.287 1.00 0.00 C ATOM 1029 O ALA A 67 -1.398 -6.786 -5.732 1.00 0.00 O ATOM 1030 CB ALA A 67 0.077 -8.956 -3.870 1.00 0.00 C ATOM 0 H ALA A 67 1.287 -8.406 -5.968 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.055 -9.931 -5.378 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.666 -9.143 -3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.834 -9.740 -3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.549 -7.989 -3.695 1.00 0.00 H new ATOM 1036 N LEU A 68 -2.857 -8.175 -4.883 1.00 0.00 N ATOM 1037 CA LEU A 68 -3.935 -7.213 -4.968 1.00 0.00 C ATOM 1038 C LEU A 68 -4.474 -6.880 -3.584 1.00 0.00 C ATOM 1039 O LEU A 68 -4.565 -7.770 -2.721 1.00 0.00 O ATOM 1040 CB LEU A 68 -5.032 -7.737 -5.908 1.00 0.00 C ATOM 1041 CG LEU A 68 -5.856 -8.921 -5.405 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -7.080 -8.431 -4.681 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -6.217 -9.869 -6.530 1.00 0.00 C ATOM 0 H LEU A 68 -3.120 -9.078 -4.488 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.553 -6.283 -5.389 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.714 -6.916 -6.127 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.565 -8.023 -6.851 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.245 -9.487 -4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.659 -9.284 -4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.779 -7.819 -3.831 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.690 -7.835 -5.360 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.803 -10.698 -6.133 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.802 -9.337 -7.280 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.306 -10.255 -6.987 1.00 0.00 H new ATOM 1055 N ILE A 69 -4.755 -5.623 -3.324 1.00 0.00 N ATOM 1056 CA ILE A 69 -5.348 -5.270 -2.054 1.00 0.00 C ATOM 1057 C ILE A 69 -6.746 -4.660 -2.261 1.00 0.00 C ATOM 1058 O ILE A 69 -6.895 -3.633 -2.924 1.00 0.00 O ATOM 1059 CB ILE A 69 -4.475 -4.313 -1.158 1.00 0.00 C ATOM 1060 CG1 ILE A 69 -3.094 -4.910 -0.823 1.00 0.00 C ATOM 1061 CG2 ILE A 69 -5.205 -3.967 0.136 1.00 0.00 C ATOM 1062 CD1 ILE A 69 -2.057 -4.780 -1.913 1.00 0.00 C ATOM 0 H ILE A 69 -4.587 -4.843 -3.959 1.00 0.00 H new ATOM 0 HA ILE A 69 -5.418 -6.209 -1.505 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.314 -3.408 -1.743 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.715 -4.426 0.077 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.220 -5.967 -0.587 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.583 -3.305 0.739 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.145 -3.468 -0.099 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.409 -4.881 0.694 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.121 -5.230 -1.581 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.406 -5.291 -2.810 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.894 -3.726 -2.136 1.00 0.00 H new ATOM 1074 N PRO A 70 -7.782 -5.336 -1.758 1.00 0.00 N ATOM 1075 CA PRO A 70 -9.155 -4.842 -1.802 1.00 0.00 C ATOM 1076 C PRO A 70 -9.461 -3.801 -0.725 1.00 0.00 C ATOM 1077 O PRO A 70 -8.807 -3.746 0.323 1.00 0.00 O ATOM 1078 CB PRO A 70 -9.984 -6.098 -1.556 1.00 0.00 C ATOM 1079 CG PRO A 70 -9.101 -6.969 -0.735 1.00 0.00 C ATOM 1080 CD PRO A 70 -7.699 -6.672 -1.150 1.00 0.00 C ATOM 0 HA PRO A 70 -9.362 -4.336 -2.745 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -10.911 -5.866 -1.032 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -10.260 -6.582 -2.493 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.240 -6.770 0.327 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.337 -8.021 -0.896 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.020 -6.681 -0.297 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.328 -7.411 -1.860 1.00 0.00 H new ATOM 1088 N LYS A 71 -10.503 -3.013 -0.973 1.00 0.00 N ATOM 1089 CA LYS A 71 -10.975 -1.980 -0.041 1.00 0.00 C ATOM 1090 C LYS A 71 -11.545 -2.568 1.251 1.00 0.00 C ATOM 1091 O LYS A 71 -11.823 -1.863 2.213 1.00 0.00 O ATOM 1092 CB LYS A 71 -11.981 -1.066 -0.755 1.00 0.00 C ATOM 1093 CG LYS A 71 -13.035 -1.779 -1.608 1.00 0.00 C ATOM 1094 CD LYS A 71 -14.148 -2.467 -0.808 1.00 0.00 C ATOM 1095 CE LYS A 71 -15.004 -1.481 -0.031 1.00 0.00 C ATOM 1096 NZ LYS A 71 -16.072 -2.160 0.721 1.00 0.00 N ATOM 0 H LYS A 71 -11.051 -3.069 -1.831 1.00 0.00 H new ATOM 0 HA LYS A 71 -10.117 -1.383 0.268 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.494 -0.464 -0.005 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.429 -0.377 -1.394 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.487 -1.053 -2.284 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.537 -2.525 -2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.782 -3.035 -1.489 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.704 -3.182 -0.115 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.375 -0.918 0.659 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.446 -0.761 -0.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.481 -1.502 1.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.814 -2.474 0.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.677 -2.984 1.217 1.00 0.00 H new ATOM 1110 N ASN A 72 -11.719 -3.858 1.244 1.00 0.00 N ATOM 1111 CA ASN A 72 -12.231 -4.585 2.397 1.00 0.00 C ATOM 1112 C ASN A 72 -11.112 -4.994 3.334 1.00 0.00 C ATOM 1113 O ASN A 72 -11.359 -5.548 4.400 1.00 0.00 O ATOM 1114 CB ASN A 72 -13.023 -5.819 1.953 1.00 0.00 C ATOM 1115 CG ASN A 72 -14.330 -5.465 1.283 1.00 0.00 C ATOM 1116 OD1 ASN A 72 -14.973 -4.476 1.629 1.00 0.00 O ATOM 1117 ND2 ASN A 72 -14.703 -6.212 0.289 1.00 0.00 N ATOM 0 H ASN A 72 -11.512 -4.450 0.439 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.899 -3.914 2.937 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.415 -6.407 1.266 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.223 -6.448 2.820 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.552 -5.985 -0.229 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.148 -7.026 0.026 1.00 0.00 H new ATOM 1124 N SER A 73 -9.894 -4.720 2.951 1.00 0.00 N ATOM 1125 CA SER A 73 -8.760 -5.098 3.740 1.00 0.00 C ATOM 1126 C SER A 73 -8.044 -3.877 4.310 1.00 0.00 C ATOM 1127 O SER A 73 -8.096 -2.777 3.741 1.00 0.00 O ATOM 1128 CB SER A 73 -7.803 -5.931 2.888 1.00 0.00 C ATOM 1129 OG SER A 73 -8.463 -7.086 2.388 1.00 0.00 O ATOM 0 H SER A 73 -9.664 -4.230 2.086 1.00 0.00 H new ATOM 0 HA SER A 73 -9.109 -5.694 4.584 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.428 -5.331 2.059 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.939 -6.227 3.484 1.00 0.00 H new ATOM 0 HG SER A 73 -7.839 -7.609 1.843 1.00 0.00 H new ATOM 1135 N SER A 74 -7.429 -4.070 5.443 1.00 0.00 N ATOM 1136 CA SER A 74 -6.631 -3.077 6.068 1.00 0.00 C ATOM 1137 C SER A 74 -5.175 -3.517 5.968 1.00 0.00 C ATOM 1138 O SER A 74 -4.833 -4.667 6.312 1.00 0.00 O ATOM 1139 CB SER A 74 -7.092 -2.912 7.520 1.00 0.00 C ATOM 1140 OG SER A 74 -7.225 -4.182 8.167 1.00 0.00 O ATOM 0 H SER A 74 -7.476 -4.947 5.962 1.00 0.00 H new ATOM 0 HA SER A 74 -6.732 -2.107 5.582 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.376 -2.297 8.064 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.047 -2.387 7.544 1.00 0.00 H new ATOM 0 HG SER A 74 -6.591 -4.817 7.774 1.00 0.00 H new ATOM 1146 N VAL A 75 -4.333 -2.665 5.452 1.00 0.00 N ATOM 1147 CA VAL A 75 -2.952 -3.007 5.255 1.00 0.00 C ATOM 1148 C VAL A 75 -2.000 -2.020 5.935 1.00 0.00 C ATOM 1149 O VAL A 75 -2.401 -0.947 6.382 1.00 0.00 O ATOM 1150 CB VAL A 75 -2.598 -3.206 3.743 1.00 0.00 C ATOM 1151 CG1 VAL A 75 -3.223 -4.482 3.213 1.00 0.00 C ATOM 1152 CG2 VAL A 75 -3.073 -2.041 2.890 1.00 0.00 C ATOM 0 H VAL A 75 -4.582 -1.721 5.158 1.00 0.00 H new ATOM 0 HA VAL A 75 -2.807 -3.970 5.745 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.511 -3.266 3.680 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.966 -4.603 2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.846 -5.334 3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.307 -4.427 3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.807 -2.220 1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.155 -1.944 2.976 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.598 -1.122 3.233 1.00 0.00 H new ATOM 1162 N ILE A 76 -0.771 -2.421 6.065 1.00 0.00 N ATOM 1163 CA ILE A 76 0.273 -1.646 6.676 1.00 0.00 C ATOM 1164 C ILE A 76 1.412 -1.511 5.697 1.00 0.00 C ATOM 1165 O ILE A 76 1.789 -2.470 5.023 1.00 0.00 O ATOM 1166 CB ILE A 76 0.754 -2.283 8.012 1.00 0.00 C ATOM 1167 CG1 ILE A 76 -0.436 -2.360 8.966 1.00 0.00 C ATOM 1168 CG2 ILE A 76 1.910 -1.481 8.638 1.00 0.00 C ATOM 1169 CD1 ILE A 76 -0.125 -2.899 10.324 1.00 0.00 C ATOM 0 H ILE A 76 -0.453 -3.333 5.736 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.115 -0.658 6.924 1.00 0.00 H new ATOM 0 HB ILE A 76 1.138 -3.284 7.815 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.859 -1.361 9.076 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.206 -2.984 8.512 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.220 -1.955 9.569 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.752 -1.456 7.946 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.578 -0.463 8.842 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.033 -2.914 10.926 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.266 -3.912 10.232 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.619 -2.265 10.806 1.00 0.00 H new ATOM 1181 N VAL A 77 1.922 -0.335 5.611 1.00 0.00 N ATOM 1182 CA VAL A 77 2.893 0.029 4.636 1.00 0.00 C ATOM 1183 C VAL A 77 4.302 0.123 5.247 1.00 0.00 C ATOM 1184 O VAL A 77 4.512 0.788 6.272 1.00 0.00 O ATOM 1185 CB VAL A 77 2.484 1.379 4.030 1.00 0.00 C ATOM 1186 CG1 VAL A 77 3.390 1.774 2.926 1.00 0.00 C ATOM 1187 CG2 VAL A 77 1.061 1.325 3.543 1.00 0.00 C ATOM 0 H VAL A 77 1.668 0.428 6.238 1.00 0.00 H new ATOM 0 HA VAL A 77 2.930 -0.740 3.864 1.00 0.00 H new ATOM 0 HB VAL A 77 2.563 2.133 4.813 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.072 2.734 2.520 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.409 1.860 3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.357 1.019 2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.786 2.289 3.116 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.966 0.551 2.782 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.399 1.096 4.378 1.00 0.00 H new ATOM 1197 N ARG A 78 5.237 -0.539 4.612 1.00 0.00 N ATOM 1198 CA ARG A 78 6.629 -0.575 5.005 1.00 0.00 C ATOM 1199 C ARG A 78 7.463 -0.226 3.775 1.00 0.00 C ATOM 1200 O ARG A 78 7.127 -0.642 2.684 1.00 0.00 O ATOM 1201 CB ARG A 78 6.948 -2.007 5.439 1.00 0.00 C ATOM 1202 CG ARG A 78 8.382 -2.269 5.872 1.00 0.00 C ATOM 1203 CD ARG A 78 8.612 -3.762 6.057 1.00 0.00 C ATOM 1204 NE ARG A 78 7.591 -4.351 6.923 1.00 0.00 N ATOM 1205 CZ ARG A 78 7.140 -5.608 6.864 1.00 0.00 C ATOM 1206 NH1 ARG A 78 7.705 -6.506 6.064 1.00 0.00 N ATOM 1207 NH2 ARG A 78 6.134 -5.965 7.633 1.00 0.00 N ATOM 0 H ARG A 78 5.045 -1.089 3.775 1.00 0.00 H new ATOM 0 HA ARG A 78 6.841 0.122 5.816 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.286 -2.271 6.264 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.711 -2.677 4.613 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.072 -1.877 5.125 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.590 -1.744 6.804 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.599 -4.258 5.086 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.599 -3.930 6.488 1.00 0.00 H new ATOM 0 HE ARG A 78 7.186 -3.747 7.638 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.498 -6.241 5.480 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.345 -7.460 6.034 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.708 -5.286 8.264 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.780 -6.921 7.598 1.00 0.00 H new ATOM 1221 N ARG A 79 8.512 0.531 3.919 1.00 0.00 N ATOM 1222 CA ARG A 79 9.325 0.846 2.761 1.00 0.00 C ATOM 1223 C ARG A 79 10.530 -0.086 2.745 1.00 0.00 C ATOM 1224 O ARG A 79 11.183 -0.266 3.775 1.00 0.00 O ATOM 1225 CB ARG A 79 9.793 2.300 2.788 1.00 0.00 C ATOM 1226 CG ARG A 79 10.365 2.767 1.458 1.00 0.00 C ATOM 1227 CD ARG A 79 11.047 4.114 1.579 1.00 0.00 C ATOM 1228 NE ARG A 79 12.277 4.020 2.371 1.00 0.00 N ATOM 1229 CZ ARG A 79 13.061 5.043 2.710 1.00 0.00 C ATOM 1230 NH1 ARG A 79 12.751 6.282 2.350 1.00 0.00 N ATOM 1231 NH2 ARG A 79 14.163 4.821 3.407 1.00 0.00 N ATOM 0 H ARG A 79 8.826 0.937 4.800 1.00 0.00 H new ATOM 0 HA ARG A 79 8.726 0.709 1.861 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.954 2.940 3.061 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.550 2.418 3.564 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.079 2.030 1.091 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.565 2.830 0.721 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.280 4.496 0.585 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.367 4.828 2.043 1.00 0.00 H new ATOM 0 HE ARG A 79 12.557 3.092 2.690 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.905 6.459 1.808 1.00 0.00 H new ATOM 0 HH12 ARG A 79 13.359 7.057 2.615 1.00 0.00 H new ATOM 0 HH21 ARG A 79 14.409 3.870 3.682 1.00 0.00 H new ATOM 0 HH22 ARG A 79 14.766 5.600 3.669 1.00 0.00 H new ATOM 1245 N ILE A 80 10.813 -0.690 1.613 1.00 0.00 N ATOM 1246 CA ILE A 80 11.931 -1.614 1.505 1.00 0.00 C ATOM 1247 C ILE A 80 12.804 -1.234 0.315 1.00 0.00 C ATOM 1248 O ILE A 80 12.330 -0.628 -0.614 1.00 0.00 O ATOM 1249 CB ILE A 80 11.462 -3.124 1.418 1.00 0.00 C ATOM 1250 CG1 ILE A 80 10.600 -3.440 0.180 1.00 0.00 C ATOM 1251 CG2 ILE A 80 10.752 -3.565 2.681 1.00 0.00 C ATOM 1252 CD1 ILE A 80 11.404 -3.841 -1.039 1.00 0.00 C ATOM 0 H ILE A 80 10.286 -0.561 0.749 1.00 0.00 H new ATOM 0 HA ILE A 80 12.521 -1.531 2.418 1.00 0.00 H new ATOM 0 HB ILE A 80 12.382 -3.699 1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 80 9.907 -4.244 0.427 1.00 0.00 H new ATOM 0 HG13 ILE A 80 9.998 -2.565 -0.065 1.00 0.00 H new ATOM 0 HG21 ILE A 80 10.446 -4.606 2.582 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.426 -3.464 3.531 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.872 -2.942 2.840 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.728 -4.048 -1.869 1.00 0.00 H new ATOM 0 HD12 ILE A 80 12.078 -3.030 -1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 80 11.985 -4.735 -0.813 1.00 0.00 H new ATOM 1264 N PRO A 81 14.083 -1.550 0.340 1.00 0.00 N ATOM 1265 CA PRO A 81 14.986 -1.260 -0.783 1.00 0.00 C ATOM 1266 C PRO A 81 14.741 -2.216 -1.970 1.00 0.00 C ATOM 1267 O PRO A 81 14.606 -3.437 -1.777 1.00 0.00 O ATOM 1268 CB PRO A 81 16.365 -1.519 -0.171 1.00 0.00 C ATOM 1269 CG PRO A 81 16.106 -2.548 0.875 1.00 0.00 C ATOM 1270 CD PRO A 81 14.789 -2.189 1.467 1.00 0.00 C ATOM 0 HA PRO A 81 14.856 -0.255 -1.185 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.072 -1.878 -0.918 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.788 -0.611 0.258 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.083 -3.549 0.444 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.891 -2.545 1.632 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.257 -3.068 1.831 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.898 -1.510 2.313 1.00 0.00 H new