USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=24 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 55 ASN : amide:sc= 2.31 K(o=2.2,f=-14!) USER MOD Set 1.2: A 57 GLN : amide:sc= -0.554 K(o=2.2,f=-2!) USER MOD Set 1.3: A 58 THR OG1 : rot 180:sc= -0.118 USER MOD Set 1.4: A 62 TYR OH : rot 30:sc= 0.561 USER MOD Set 2.1: A 32 CYS SG : rot 180:sc= -0.014 USER MOD Set 2.2: A 36 LYS NZ :NH3+ -178:sc= 0.899 (180deg=0.897) USER MOD Single : A 7 SER OG : rot -160:sc= 1.22 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -102:sc= 0.0529 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 157:sc= 2.32 (180deg=1.83) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0105 USER MOD Single : A 28 HIS : no HD1:sc= -2.88! C(o=-2.9!,f=-3.9!) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0524 USER MOD Single : A 35 LYS NZ :NH3+ -113:sc= 0.217 (180deg=-0.133!) USER MOD Single : A 37 GLN : amide:sc= -0.0992 X(o=-0.099,f=-0.097) USER MOD Single : A 39 MET CE :methyl -170:sc= -1.05 (180deg=-1.18) USER MOD Single : A 43 LYS NZ :NH3+ -153:sc= 1.23 (180deg=1.09) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -17:sc= 0.676 USER MOD Single : A 52 GLN : amide:sc= -0.678 K(o=-0.68,f=-1.4) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.546 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0218 USER MOD Single : A 66 ASN : amide:sc= 1.05 K(o=1,f=-0.36) USER MOD Single : A 71 LYS NZ :NH3+ -143:sc= -0.186 (180deg=-2.37!) USER MOD Single : A 72 ASN :FLIP amide:sc= -0.106 F(o=-2.7!,f=-0.11) USER MOD Single : A 73 SER OG : rot 180:sc= -0.29 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 7 -14.017 3.484 -2.495 1.00 0.00 N ATOM 79 CA SER A 7 -13.351 2.423 -1.823 1.00 0.00 C ATOM 80 C SER A 7 -12.072 2.941 -1.172 1.00 0.00 C ATOM 81 O SER A 7 -11.257 3.589 -1.827 1.00 0.00 O ATOM 82 CB SER A 7 -13.055 1.343 -2.850 1.00 0.00 C ATOM 83 OG SER A 7 -14.256 0.968 -3.521 1.00 0.00 O ATOM 0 HA SER A 7 -13.972 2.010 -1.028 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.323 1.706 -3.572 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.615 0.474 -2.360 1.00 0.00 H new ATOM 0 HG SER A 7 -14.139 0.086 -3.932 1.00 0.00 H new ATOM 89 N CYS A 8 -11.909 2.691 0.104 1.00 0.00 N ATOM 90 CA CYS A 8 -10.737 3.156 0.804 1.00 0.00 C ATOM 91 C CYS A 8 -10.184 2.090 1.735 1.00 0.00 C ATOM 92 O CYS A 8 -10.938 1.384 2.403 1.00 0.00 O ATOM 93 CB CYS A 8 -11.039 4.456 1.560 1.00 0.00 C ATOM 94 SG CYS A 8 -12.412 4.349 2.724 1.00 0.00 S ATOM 0 H CYS A 8 -12.571 2.169 0.678 1.00 0.00 H new ATOM 0 HA CYS A 8 -9.966 3.367 0.063 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.144 4.761 2.102 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -11.256 5.240 0.835 1.00 0.00 H new ATOM 0 HG CYS A 8 -12.577 5.499 3.307 1.00 0.00 H new ATOM 100 N VAL A 9 -8.886 1.976 1.761 1.00 0.00 N ATOM 101 CA VAL A 9 -8.194 1.002 2.592 1.00 0.00 C ATOM 102 C VAL A 9 -7.524 1.708 3.740 1.00 0.00 C ATOM 103 O VAL A 9 -6.914 2.770 3.543 1.00 0.00 O ATOM 104 CB VAL A 9 -7.118 0.210 1.765 1.00 0.00 C ATOM 105 CG1 VAL A 9 -6.172 -0.577 2.667 1.00 0.00 C ATOM 106 CG2 VAL A 9 -7.791 -0.759 0.837 1.00 0.00 C ATOM 0 H VAL A 9 -8.262 2.559 1.203 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.929 0.290 2.968 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.543 0.947 1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.444 -1.110 2.055 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.651 0.109 3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.744 -1.294 3.257 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.036 -1.303 0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.386 -1.464 1.417 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.440 -0.215 0.151 1.00 0.00 H new ATOM 116 N HIS A 10 -7.667 1.151 4.925 1.00 0.00 N ATOM 117 CA HIS A 10 -6.991 1.664 6.075 1.00 0.00 C ATOM 118 C HIS A 10 -5.603 1.102 6.076 1.00 0.00 C ATOM 119 O HIS A 10 -5.410 -0.099 6.267 1.00 0.00 O ATOM 120 CB HIS A 10 -7.690 1.281 7.391 1.00 0.00 C ATOM 121 CG HIS A 10 -9.018 1.928 7.632 1.00 0.00 C ATOM 122 ND1 HIS A 10 -9.181 3.158 8.236 1.00 0.00 N ATOM 123 CD2 HIS A 10 -10.263 1.473 7.373 1.00 0.00 C ATOM 124 CE1 HIS A 10 -10.491 3.408 8.323 1.00 0.00 C ATOM 125 NE2 HIS A 10 -11.197 2.409 7.812 1.00 0.00 N ATOM 0 H HIS A 10 -8.253 0.336 5.107 1.00 0.00 H new ATOM 0 HA HIS A 10 -6.991 2.753 6.018 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.825 0.200 7.408 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.028 1.533 8.219 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -10.498 0.531 6.900 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -10.917 4.303 8.752 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -12.213 2.340 7.753 1.00 0.00 H new ATOM 133 N TYR A 11 -4.653 1.920 5.825 1.00 0.00 N ATOM 134 CA TYR A 11 -3.299 1.478 5.814 1.00 0.00 C ATOM 135 C TYR A 11 -2.539 2.299 6.812 1.00 0.00 C ATOM 136 O TYR A 11 -2.731 3.510 6.885 1.00 0.00 O ATOM 137 CB TYR A 11 -2.672 1.610 4.400 1.00 0.00 C ATOM 138 CG TYR A 11 -2.394 3.036 3.929 1.00 0.00 C ATOM 139 CD1 TYR A 11 -3.381 3.809 3.345 1.00 0.00 C ATOM 140 CD2 TYR A 11 -1.122 3.602 4.071 1.00 0.00 C ATOM 141 CE1 TYR A 11 -3.108 5.101 2.920 1.00 0.00 C ATOM 142 CE2 TYR A 11 -0.852 4.876 3.654 1.00 0.00 C ATOM 143 CZ TYR A 11 -1.841 5.621 3.081 1.00 0.00 C ATOM 144 OH TYR A 11 -1.563 6.894 2.662 1.00 0.00 O ATOM 0 H TYR A 11 -4.783 2.911 5.621 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.254 0.422 6.080 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.735 1.053 4.385 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.338 1.133 3.681 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -4.374 3.403 3.219 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.333 3.018 4.521 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.885 5.697 2.465 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.138 5.290 3.777 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.625 7.103 2.851 1.00 0.00 H new ATOM 154 N LYS A 12 -1.738 1.688 7.619 1.00 0.00 N ATOM 155 CA LYS A 12 -0.953 2.482 8.500 1.00 0.00 C ATOM 156 C LYS A 12 0.481 2.306 8.167 1.00 0.00 C ATOM 157 O LYS A 12 0.951 1.191 7.942 1.00 0.00 O ATOM 158 CB LYS A 12 -1.236 2.265 10.005 1.00 0.00 C ATOM 159 CG LYS A 12 -0.700 1.002 10.647 1.00 0.00 C ATOM 160 CD LYS A 12 -0.924 1.079 12.149 1.00 0.00 C ATOM 161 CE LYS A 12 -0.334 -0.100 12.892 1.00 0.00 C ATOM 162 NZ LYS A 12 -0.549 0.026 14.343 1.00 0.00 N ATOM 0 H LYS A 12 -1.612 0.678 7.687 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.248 3.519 8.336 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.828 3.117 10.549 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.316 2.282 10.149 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.203 0.127 10.235 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.362 0.890 10.430 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.483 2.000 12.531 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.994 1.130 12.350 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.788 -1.024 12.533 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.734 -0.167 12.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.135 -0.795 14.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.095 0.896 14.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.569 0.066 14.541 1.00 0.00 H new ATOM 176 N PHE A 13 1.148 3.388 8.065 1.00 0.00 N ATOM 177 CA PHE A 13 2.531 3.391 7.755 1.00 0.00 C ATOM 178 C PHE A 13 3.236 3.565 9.073 1.00 0.00 C ATOM 179 O PHE A 13 2.648 4.106 10.006 1.00 0.00 O ATOM 180 CB PHE A 13 2.838 4.601 6.859 1.00 0.00 C ATOM 181 CG PHE A 13 3.896 4.384 5.818 1.00 0.00 C ATOM 182 CD1 PHE A 13 5.159 3.941 6.155 1.00 0.00 C ATOM 183 CD2 PHE A 13 3.604 4.610 4.490 1.00 0.00 C ATOM 184 CE1 PHE A 13 6.111 3.726 5.186 1.00 0.00 C ATOM 185 CE2 PHE A 13 4.548 4.394 3.518 1.00 0.00 C ATOM 186 CZ PHE A 13 5.806 3.950 3.867 1.00 0.00 C ATOM 0 H PHE A 13 0.746 4.316 8.196 1.00 0.00 H new ATOM 0 HA PHE A 13 2.841 2.482 7.239 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.918 4.903 6.359 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.143 5.433 7.494 1.00 0.00 H new ATOM 0 HD1 PHE A 13 5.403 3.761 7.192 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.621 4.961 4.211 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.097 3.382 5.463 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.306 4.572 2.481 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.550 3.779 3.103 1.00 0.00 H new ATOM 196 N SER A 14 4.451 3.133 9.159 1.00 0.00 N ATOM 197 CA SER A 14 5.255 3.328 10.339 1.00 0.00 C ATOM 198 C SER A 14 5.483 4.832 10.600 1.00 0.00 C ATOM 199 O SER A 14 5.678 5.269 11.740 1.00 0.00 O ATOM 200 CB SER A 14 6.552 2.604 10.111 1.00 0.00 C ATOM 201 OG SER A 14 7.019 2.869 8.799 1.00 0.00 O ATOM 0 H SER A 14 4.926 2.629 8.410 1.00 0.00 H new ATOM 0 HA SER A 14 4.755 2.934 11.224 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.293 2.924 10.843 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.411 1.532 10.248 1.00 0.00 H new ATOM 0 HG SER A 14 6.827 2.101 8.222 1.00 0.00 H new ATOM 207 N SER A 15 5.415 5.607 9.527 1.00 0.00 N ATOM 208 CA SER A 15 5.565 7.038 9.571 1.00 0.00 C ATOM 209 C SER A 15 4.238 7.724 10.003 1.00 0.00 C ATOM 210 O SER A 15 4.174 8.945 10.157 1.00 0.00 O ATOM 211 CB SER A 15 6.003 7.505 8.187 1.00 0.00 C ATOM 212 OG SER A 15 7.130 6.741 7.740 1.00 0.00 O ATOM 0 H SER A 15 5.251 5.243 8.588 1.00 0.00 H new ATOM 0 HA SER A 15 6.316 7.314 10.311 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.179 7.398 7.482 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.261 8.564 8.217 1.00 0.00 H new ATOM 0 HG SER A 15 7.401 7.048 6.850 1.00 0.00 H new ATOM 218 N LYS A 16 3.200 6.925 10.192 1.00 0.00 N ATOM 219 CA LYS A 16 1.898 7.398 10.645 1.00 0.00 C ATOM 220 C LYS A 16 1.736 6.970 12.101 1.00 0.00 C ATOM 221 O LYS A 16 2.565 6.218 12.623 1.00 0.00 O ATOM 222 CB LYS A 16 0.769 6.743 9.816 1.00 0.00 C ATOM 223 CG LYS A 16 0.797 7.011 8.312 1.00 0.00 C ATOM 224 CD LYS A 16 0.396 8.424 7.946 1.00 0.00 C ATOM 225 CE LYS A 16 0.508 8.629 6.435 1.00 0.00 C ATOM 226 NZ LYS A 16 0.020 9.952 5.990 1.00 0.00 N ATOM 0 H LYS A 16 3.236 5.918 10.034 1.00 0.00 H new ATOM 0 HA LYS A 16 1.838 8.480 10.532 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.809 5.665 9.973 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.188 7.087 10.208 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.801 6.817 7.934 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.128 6.310 7.813 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.626 8.616 8.272 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.035 9.138 8.466 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.550 8.513 6.135 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.059 7.850 5.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.456 10.194 5.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.014 9.922 5.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.274 10.671 6.697 1.00 0.00 H new ATOM 240 N LEU A 17 0.694 7.431 12.743 1.00 0.00 N ATOM 241 CA LEU A 17 0.414 7.023 14.102 1.00 0.00 C ATOM 242 C LEU A 17 -0.696 5.990 14.068 1.00 0.00 C ATOM 243 O LEU A 17 -0.621 4.935 14.707 1.00 0.00 O ATOM 244 CB LEU A 17 -0.027 8.220 14.948 1.00 0.00 C ATOM 245 CG LEU A 17 -0.293 7.930 16.432 1.00 0.00 C ATOM 246 CD1 LEU A 17 0.993 7.549 17.155 1.00 0.00 C ATOM 247 CD2 LEU A 17 -0.963 9.114 17.100 1.00 0.00 C ATOM 0 H LEU A 17 0.023 8.090 12.349 1.00 0.00 H new ATOM 0 HA LEU A 17 1.316 6.605 14.549 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.741 8.991 14.880 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.935 8.635 14.510 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.972 7.080 16.493 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.775 7.349 18.204 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.418 6.656 16.696 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.708 8.369 17.083 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.142 8.886 18.151 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.317 9.989 17.023 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.913 9.320 16.607 1.00 0.00 H new ATOM 259 N ASN A 18 -1.702 6.303 13.297 1.00 0.00 N ATOM 260 CA ASN A 18 -2.869 5.472 13.109 1.00 0.00 C ATOM 261 C ASN A 18 -3.005 5.179 11.637 1.00 0.00 C ATOM 262 O ASN A 18 -2.102 5.499 10.856 1.00 0.00 O ATOM 263 CB ASN A 18 -4.141 6.184 13.616 1.00 0.00 C ATOM 264 CG ASN A 18 -4.213 6.316 15.124 1.00 0.00 C ATOM 265 OD1 ASN A 18 -3.719 5.463 15.863 1.00 0.00 O ATOM 266 ND2 ASN A 18 -4.833 7.359 15.593 1.00 0.00 N ATOM 0 H ASN A 18 -1.737 7.171 12.763 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.752 4.549 13.677 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.190 7.178 13.172 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.016 5.635 13.267 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.921 7.489 16.601 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.231 8.047 14.953 1.00 0.00 H new ATOM 273 N TYR A 19 -4.105 4.589 11.244 1.00 0.00 N ATOM 274 CA TYR A 19 -4.313 4.261 9.857 1.00 0.00 C ATOM 275 C TYR A 19 -4.716 5.475 9.052 1.00 0.00 C ATOM 276 O TYR A 19 -5.352 6.406 9.561 1.00 0.00 O ATOM 277 CB TYR A 19 -5.344 3.148 9.683 1.00 0.00 C ATOM 278 CG TYR A 19 -4.931 1.793 10.236 1.00 0.00 C ATOM 279 CD1 TYR A 19 -4.982 1.522 11.597 1.00 0.00 C ATOM 280 CD2 TYR A 19 -4.510 0.783 9.389 1.00 0.00 C ATOM 281 CE1 TYR A 19 -4.625 0.287 12.090 1.00 0.00 C ATOM 282 CE2 TYR A 19 -4.147 -0.455 9.873 1.00 0.00 C ATOM 283 CZ TYR A 19 -4.207 -0.697 11.224 1.00 0.00 C ATOM 284 OH TYR A 19 -3.859 -1.937 11.716 1.00 0.00 O ATOM 0 H TYR A 19 -4.870 4.326 11.865 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.357 3.899 9.478 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.271 3.454 10.168 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.561 3.038 8.621 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.307 2.293 12.280 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.465 0.969 8.326 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.673 0.092 13.151 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.818 -1.229 9.196 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.587 -2.518 10.975 1.00 0.00 H new ATOM 294 N ASP A 20 -4.315 5.470 7.828 1.00 0.00 N ATOM 295 CA ASP A 20 -4.642 6.489 6.870 1.00 0.00 C ATOM 296 C ASP A 20 -5.499 5.777 5.839 1.00 0.00 C ATOM 297 O ASP A 20 -5.693 4.560 5.953 1.00 0.00 O ATOM 298 CB ASP A 20 -3.359 7.035 6.225 1.00 0.00 C ATOM 299 CG ASP A 20 -3.515 8.425 5.597 1.00 0.00 C ATOM 300 OD1 ASP A 20 -4.396 8.624 4.729 1.00 0.00 O ATOM 301 OD2 ASP A 20 -2.755 9.367 5.991 1.00 0.00 O ATOM 0 H ASP A 20 -3.727 4.730 7.444 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.157 7.340 7.317 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.575 7.076 6.981 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.026 6.337 5.457 1.00 0.00 H new ATOM 306 N THR A 21 -5.976 6.453 4.852 1.00 0.00 N ATOM 307 CA THR A 21 -6.855 5.848 3.924 1.00 0.00 C ATOM 308 C THR A 21 -6.434 6.150 2.529 1.00 0.00 C ATOM 309 O THR A 21 -6.080 7.293 2.203 1.00 0.00 O ATOM 310 CB THR A 21 -8.339 6.235 4.152 1.00 0.00 C ATOM 311 OG1 THR A 21 -8.471 7.626 4.497 1.00 0.00 O ATOM 312 CG2 THR A 21 -8.995 5.352 5.208 1.00 0.00 C ATOM 0 H THR A 21 -5.767 7.435 4.669 1.00 0.00 H new ATOM 0 HA THR A 21 -6.791 4.772 4.088 1.00 0.00 H new ATOM 0 HB THR A 21 -8.861 6.070 3.210 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.417 7.841 4.633 1.00 0.00 H new ATOM 0 HG21 THR A 21 -10.034 5.654 5.340 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.957 4.311 4.887 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.463 5.459 6.153 1.00 0.00 H new ATOM 320 N VAL A 22 -6.383 5.135 1.732 1.00 0.00 N ATOM 321 CA VAL A 22 -6.070 5.302 0.362 1.00 0.00 C ATOM 322 C VAL A 22 -7.331 5.019 -0.438 1.00 0.00 C ATOM 323 O VAL A 22 -8.029 4.033 -0.173 1.00 0.00 O ATOM 324 CB VAL A 22 -4.871 4.413 -0.073 1.00 0.00 C ATOM 325 CG1 VAL A 22 -5.191 2.926 -0.121 1.00 0.00 C ATOM 326 CG2 VAL A 22 -4.252 4.929 -1.347 1.00 0.00 C ATOM 0 H VAL A 22 -6.557 4.171 2.016 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.744 6.325 0.173 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.120 4.496 0.712 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.305 2.373 -0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.500 2.588 0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.997 2.750 -0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.416 4.290 -1.630 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.998 4.924 -2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.894 5.947 -1.192 1.00 0.00 H new ATOM 336 N THR A 23 -7.660 5.895 -1.332 1.00 0.00 N ATOM 337 CA THR A 23 -8.883 5.792 -2.073 1.00 0.00 C ATOM 338 C THR A 23 -8.682 5.254 -3.493 1.00 0.00 C ATOM 339 O THR A 23 -7.686 5.552 -4.165 1.00 0.00 O ATOM 340 CB THR A 23 -9.587 7.150 -2.109 1.00 0.00 C ATOM 341 OG1 THR A 23 -8.643 8.176 -2.476 1.00 0.00 O ATOM 342 CG2 THR A 23 -10.208 7.489 -0.761 1.00 0.00 C ATOM 0 H THR A 23 -7.089 6.705 -1.572 1.00 0.00 H new ATOM 0 HA THR A 23 -9.509 5.066 -1.555 1.00 0.00 H new ATOM 0 HB THR A 23 -10.386 7.097 -2.849 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.097 9.044 -2.500 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.700 8.460 -0.821 1.00 0.00 H new ATOM 0 HG22 THR A 23 -10.941 6.727 -0.496 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.429 7.524 0.000 1.00 0.00 H new ATOM 350 N PHE A 24 -9.623 4.446 -3.906 1.00 0.00 N ATOM 351 CA PHE A 24 -9.689 3.841 -5.214 1.00 0.00 C ATOM 352 C PHE A 24 -11.146 3.515 -5.471 1.00 0.00 C ATOM 353 O PHE A 24 -11.999 3.808 -4.620 1.00 0.00 O ATOM 354 CB PHE A 24 -8.813 2.563 -5.280 1.00 0.00 C ATOM 355 CG PHE A 24 -9.129 1.541 -4.217 1.00 0.00 C ATOM 356 CD1 PHE A 24 -8.643 1.703 -2.938 1.00 0.00 C ATOM 357 CD2 PHE A 24 -9.913 0.429 -4.493 1.00 0.00 C ATOM 358 CE1 PHE A 24 -8.927 0.801 -1.961 1.00 0.00 C ATOM 359 CE2 PHE A 24 -10.197 -0.489 -3.500 1.00 0.00 C ATOM 360 CZ PHE A 24 -9.704 -0.300 -2.236 1.00 0.00 C ATOM 0 H PHE A 24 -10.405 4.177 -3.309 1.00 0.00 H new ATOM 0 HA PHE A 24 -9.304 4.520 -5.975 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.937 2.102 -6.260 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.765 2.850 -5.192 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.027 2.560 -2.708 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -10.303 0.281 -5.489 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -8.540 0.950 -0.964 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -10.806 -1.353 -3.720 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.925 -1.014 -1.457 1.00 0.00 H new ATOM 370 N ASP A 25 -11.461 3.007 -6.614 1.00 0.00 N ATOM 371 CA ASP A 25 -12.788 2.598 -6.893 1.00 0.00 C ATOM 372 C ASP A 25 -12.796 1.100 -7.137 1.00 0.00 C ATOM 373 O ASP A 25 -11.758 0.514 -7.483 1.00 0.00 O ATOM 374 CB ASP A 25 -13.350 3.356 -8.093 1.00 0.00 C ATOM 375 CG ASP A 25 -12.691 3.030 -9.413 1.00 0.00 C ATOM 376 OD1 ASP A 25 -11.605 3.575 -9.714 1.00 0.00 O ATOM 377 OD2 ASP A 25 -13.278 2.257 -10.192 1.00 0.00 O ATOM 0 H ASP A 25 -10.802 2.865 -7.380 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.428 2.827 -6.041 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -14.416 3.143 -8.173 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -13.251 4.426 -7.908 1.00 0.00 H new ATOM 382 N GLY A 26 -13.926 0.474 -6.922 1.00 0.00 N ATOM 383 CA GLY A 26 -14.028 -0.955 -7.099 1.00 0.00 C ATOM 384 C GLY A 26 -14.143 -1.651 -5.769 1.00 0.00 C ATOM 385 O GLY A 26 -14.878 -1.199 -4.888 1.00 0.00 O ATOM 0 H GLY A 26 -14.788 0.930 -6.624 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.897 -1.189 -7.713 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.152 -1.323 -7.633 1.00 0.00 H new ATOM 389 N LEU A 27 -13.426 -2.714 -5.590 1.00 0.00 N ATOM 390 CA LEU A 27 -13.467 -3.441 -4.334 1.00 0.00 C ATOM 391 C LEU A 27 -12.066 -3.515 -3.776 1.00 0.00 C ATOM 392 O LEU A 27 -11.833 -3.299 -2.571 1.00 0.00 O ATOM 393 CB LEU A 27 -14.060 -4.858 -4.568 1.00 0.00 C ATOM 394 CG LEU A 27 -14.493 -5.715 -3.334 1.00 0.00 C ATOM 395 CD1 LEU A 27 -13.317 -6.225 -2.518 1.00 0.00 C ATOM 396 CD2 LEU A 27 -15.455 -4.940 -2.447 1.00 0.00 C ATOM 0 H LEU A 27 -12.800 -3.109 -6.291 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.106 -2.929 -3.615 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.932 -4.747 -5.213 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.322 -5.435 -5.126 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.001 -6.592 -3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.685 -6.812 -1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.682 -6.850 -3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.739 -5.379 -2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.742 -5.557 -1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.969 -4.032 -2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.344 -4.675 -3.019 1.00 0.00 H new ATOM 408 N HIS A 28 -11.138 -3.786 -4.640 1.00 0.00 N ATOM 409 CA HIS A 28 -9.769 -3.946 -4.253 1.00 0.00 C ATOM 410 C HIS A 28 -8.834 -3.262 -5.171 1.00 0.00 C ATOM 411 O HIS A 28 -9.181 -2.947 -6.311 1.00 0.00 O ATOM 412 CB HIS A 28 -9.379 -5.414 -4.051 1.00 0.00 C ATOM 413 CG HIS A 28 -9.948 -6.394 -5.029 1.00 0.00 C ATOM 414 ND1 HIS A 28 -10.601 -7.533 -4.632 1.00 0.00 N ATOM 415 CD2 HIS A 28 -9.944 -6.408 -6.380 1.00 0.00 C ATOM 416 CE1 HIS A 28 -10.975 -8.193 -5.731 1.00 0.00 C ATOM 417 NE2 HIS A 28 -10.600 -7.550 -6.825 1.00 0.00 N ATOM 0 H HIS A 28 -11.308 -3.903 -5.639 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.681 -3.456 -3.283 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -8.292 -5.487 -4.087 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.685 -5.714 -3.049 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.502 -5.653 -7.013 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.513 -9.129 -5.727 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.759 -7.833 -7.792 1.00 0.00 H new ATOM 425 N ILE A 29 -7.671 -3.008 -4.667 1.00 0.00 N ATOM 426 CA ILE A 29 -6.659 -2.363 -5.403 1.00 0.00 C ATOM 427 C ILE A 29 -5.424 -3.235 -5.490 1.00 0.00 C ATOM 428 O ILE A 29 -4.947 -3.770 -4.484 1.00 0.00 O ATOM 429 CB ILE A 29 -6.340 -0.934 -4.847 1.00 0.00 C ATOM 430 CG1 ILE A 29 -5.191 -0.297 -5.616 1.00 0.00 C ATOM 431 CG2 ILE A 29 -6.023 -0.972 -3.354 1.00 0.00 C ATOM 432 CD1 ILE A 29 -5.041 1.195 -5.394 1.00 0.00 C ATOM 0 H ILE A 29 -7.403 -3.252 -3.714 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.030 -2.213 -6.417 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.232 -0.324 -4.985 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.262 -0.790 -5.331 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.336 -0.481 -6.681 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.807 0.037 -3.002 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.880 -1.370 -2.810 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.156 -1.610 -3.182 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.200 1.567 -5.979 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.953 1.703 -5.707 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.862 1.389 -4.336 1.00 0.00 H new ATOM 444 N SER A 30 -4.986 -3.439 -6.698 1.00 0.00 N ATOM 445 CA SER A 30 -3.794 -4.175 -7.011 1.00 0.00 C ATOM 446 C SER A 30 -2.597 -3.523 -6.301 1.00 0.00 C ATOM 447 O SER A 30 -2.518 -2.299 -6.228 1.00 0.00 O ATOM 448 CB SER A 30 -3.607 -4.110 -8.519 1.00 0.00 C ATOM 449 OG SER A 30 -4.857 -4.351 -9.182 1.00 0.00 O ATOM 0 H SER A 30 -5.467 -3.084 -7.524 1.00 0.00 H new ATOM 0 HA SER A 30 -3.870 -5.211 -6.682 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.218 -3.132 -8.803 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.871 -4.849 -8.834 1.00 0.00 H new ATOM 0 HG SER A 30 -4.727 -4.305 -10.152 1.00 0.00 H new ATOM 455 N LEU A 31 -1.698 -4.330 -5.788 1.00 0.00 N ATOM 456 CA LEU A 31 -0.558 -3.864 -5.024 1.00 0.00 C ATOM 457 C LEU A 31 0.308 -2.899 -5.806 1.00 0.00 C ATOM 458 O LEU A 31 0.798 -1.929 -5.244 1.00 0.00 O ATOM 459 CB LEU A 31 0.294 -5.024 -4.516 1.00 0.00 C ATOM 460 CG LEU A 31 1.466 -4.615 -3.641 1.00 0.00 C ATOM 461 CD1 LEU A 31 0.990 -3.995 -2.350 1.00 0.00 C ATOM 462 CD2 LEU A 31 2.391 -5.767 -3.372 1.00 0.00 C ATOM 0 H LEU A 31 -1.736 -5.344 -5.890 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.971 -3.329 -4.169 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.343 -5.705 -3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.674 -5.580 -5.373 1.00 0.00 H new ATOM 0 HG LEU A 31 2.032 -3.864 -4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.850 -3.712 -1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.394 -3.109 -2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.382 -4.715 -1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.216 -5.432 -2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.845 -6.561 -2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.785 -6.145 -4.315 1.00 0.00 H new ATOM 474 N CYS A 32 0.515 -3.176 -7.093 1.00 0.00 N ATOM 475 CA CYS A 32 1.279 -2.279 -7.951 1.00 0.00 C ATOM 476 C CYS A 32 0.654 -0.897 -7.885 1.00 0.00 C ATOM 477 O CYS A 32 1.322 0.077 -7.593 1.00 0.00 O ATOM 478 CB CYS A 32 1.222 -2.760 -9.406 1.00 0.00 C ATOM 479 SG CYS A 32 2.384 -1.944 -10.526 1.00 0.00 S ATOM 0 H CYS A 32 0.165 -4.012 -7.561 1.00 0.00 H new ATOM 0 HA CYS A 32 2.315 -2.259 -7.614 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.414 -3.833 -9.426 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.210 -2.610 -9.783 1.00 0.00 H new ATOM 0 HG CYS A 32 2.247 -2.431 -11.723 1.00 0.00 H new ATOM 485 N ASP A 33 -0.653 -0.860 -8.013 1.00 0.00 N ATOM 486 CA ASP A 33 -1.387 0.378 -7.963 1.00 0.00 C ATOM 487 C ASP A 33 -1.299 0.990 -6.605 1.00 0.00 C ATOM 488 O ASP A 33 -0.945 2.144 -6.479 1.00 0.00 O ATOM 489 CB ASP A 33 -2.850 0.186 -8.375 1.00 0.00 C ATOM 490 CG ASP A 33 -3.071 0.379 -9.843 1.00 0.00 C ATOM 491 OD1 ASP A 33 -2.929 -0.586 -10.616 1.00 0.00 O ATOM 492 OD2 ASP A 33 -3.400 1.512 -10.259 1.00 0.00 O ATOM 0 H ASP A 33 -1.233 -1.687 -8.154 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.930 1.059 -8.681 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.173 -0.816 -8.092 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.473 0.890 -7.823 1.00 0.00 H new ATOM 497 N LEU A 34 -1.532 0.183 -5.587 1.00 0.00 N ATOM 498 CA LEU A 34 -1.543 0.655 -4.206 1.00 0.00 C ATOM 499 C LEU A 34 -0.197 1.243 -3.788 1.00 0.00 C ATOM 500 O LEU A 34 -0.146 2.346 -3.236 1.00 0.00 O ATOM 501 CB LEU A 34 -2.040 -0.465 -3.241 1.00 0.00 C ATOM 502 CG LEU A 34 -2.025 -0.170 -1.721 1.00 0.00 C ATOM 503 CD1 LEU A 34 -3.070 -1.013 -1.017 1.00 0.00 C ATOM 504 CD2 LEU A 34 -0.663 -0.505 -1.126 1.00 0.00 C ATOM 0 H LEU A 34 -1.719 -0.815 -5.688 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.256 1.476 -4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.062 -0.720 -3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.431 -1.352 -3.416 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.239 0.890 -1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.051 -0.798 0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.056 -0.779 -1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.855 -2.069 -1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.670 -0.292 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.447 -1.562 -1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.104 0.098 -1.611 1.00 0.00 H new ATOM 516 N LYS A 35 0.884 0.546 -4.094 1.00 0.00 N ATOM 517 CA LYS A 35 2.202 1.022 -3.738 1.00 0.00 C ATOM 518 C LYS A 35 2.525 2.275 -4.496 1.00 0.00 C ATOM 519 O LYS A 35 3.001 3.235 -3.920 1.00 0.00 O ATOM 520 CB LYS A 35 3.284 -0.014 -3.989 1.00 0.00 C ATOM 521 CG LYS A 35 3.143 -1.282 -3.178 1.00 0.00 C ATOM 522 CD LYS A 35 4.299 -2.240 -3.427 1.00 0.00 C ATOM 523 CE LYS A 35 4.456 -2.643 -4.877 1.00 0.00 C ATOM 524 NZ LYS A 35 5.654 -3.494 -5.074 1.00 0.00 N ATOM 0 H LYS A 35 0.872 -0.347 -4.586 1.00 0.00 H new ATOM 0 HA LYS A 35 2.183 1.227 -2.668 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.281 -0.273 -5.048 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.254 0.434 -3.773 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.098 -1.033 -2.118 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.203 -1.773 -3.430 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.224 -1.775 -3.087 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.152 -3.136 -2.824 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.567 -3.182 -5.205 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.535 -1.751 -5.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.355 -2.980 -5.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.067 -3.731 -4.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.381 -4.369 -5.566 1.00 0.00 H new ATOM 538 N LYS A 36 2.239 2.272 -5.789 1.00 0.00 N ATOM 539 CA LYS A 36 2.491 3.433 -6.619 1.00 0.00 C ATOM 540 C LYS A 36 1.669 4.639 -6.146 1.00 0.00 C ATOM 541 O LYS A 36 2.153 5.772 -6.183 1.00 0.00 O ATOM 542 CB LYS A 36 2.242 3.137 -8.107 1.00 0.00 C ATOM 543 CG LYS A 36 3.414 2.472 -8.902 1.00 0.00 C ATOM 544 CD LYS A 36 3.941 1.153 -8.293 1.00 0.00 C ATOM 545 CE LYS A 36 4.883 0.418 -9.259 1.00 0.00 C ATOM 546 NZ LYS A 36 5.420 -0.866 -8.700 1.00 0.00 N ATOM 0 H LYS A 36 1.833 1.478 -6.283 1.00 0.00 H new ATOM 0 HA LYS A 36 3.546 3.684 -6.514 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.370 2.488 -8.182 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.986 4.074 -8.601 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.079 2.278 -9.921 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.239 3.181 -8.967 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.468 1.366 -7.363 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.100 0.506 -8.042 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.350 0.208 -10.186 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.717 1.073 -9.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.074 -1.296 -9.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.926 -0.673 -7.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.633 -1.520 -8.515 1.00 0.00 H new ATOM 560 N GLN A 37 0.443 4.390 -5.668 1.00 0.00 N ATOM 561 CA GLN A 37 -0.386 5.463 -5.122 1.00 0.00 C ATOM 562 C GLN A 37 0.283 6.043 -3.892 1.00 0.00 C ATOM 563 O GLN A 37 0.513 7.231 -3.811 1.00 0.00 O ATOM 564 CB GLN A 37 -1.799 4.976 -4.724 1.00 0.00 C ATOM 565 CG GLN A 37 -2.680 4.478 -5.863 1.00 0.00 C ATOM 566 CD GLN A 37 -2.860 5.492 -6.961 1.00 0.00 C ATOM 567 OE1 GLN A 37 -3.772 6.314 -6.921 1.00 0.00 O ATOM 568 NE2 GLN A 37 -2.032 5.418 -7.961 1.00 0.00 N ATOM 0 H GLN A 37 0.011 3.466 -5.649 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.493 6.213 -5.905 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.693 4.172 -3.995 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.316 5.794 -4.223 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.243 3.572 -6.282 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.658 4.206 -5.465 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.287 4.721 -7.956 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.127 6.057 -8.750 1.00 0.00 H new ATOM 577 N ILE A 38 0.666 5.168 -2.983 1.00 0.00 N ATOM 578 CA ILE A 38 1.252 5.580 -1.706 1.00 0.00 C ATOM 579 C ILE A 38 2.609 6.252 -1.902 1.00 0.00 C ATOM 580 O ILE A 38 2.867 7.320 -1.342 1.00 0.00 O ATOM 581 CB ILE A 38 1.378 4.383 -0.715 1.00 0.00 C ATOM 582 CG1 ILE A 38 -0.016 3.831 -0.375 1.00 0.00 C ATOM 583 CG2 ILE A 38 2.123 4.791 0.566 1.00 0.00 C ATOM 584 CD1 ILE A 38 0.002 2.617 0.529 1.00 0.00 C ATOM 0 H ILE A 38 0.584 4.158 -3.099 1.00 0.00 H new ATOM 0 HA ILE A 38 0.570 6.309 -1.269 1.00 0.00 H new ATOM 0 HB ILE A 38 1.961 3.601 -1.201 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.599 4.618 0.103 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.528 3.573 -1.302 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.193 3.933 1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.125 5.135 0.310 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.580 5.595 1.063 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.020 2.290 0.720 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.556 1.812 0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.483 2.873 1.473 1.00 0.00 H new ATOM 596 N MET A 39 3.446 5.658 -2.725 1.00 0.00 N ATOM 597 CA MET A 39 4.784 6.178 -2.956 1.00 0.00 C ATOM 598 C MET A 39 4.738 7.535 -3.620 1.00 0.00 C ATOM 599 O MET A 39 5.475 8.438 -3.243 1.00 0.00 O ATOM 600 CB MET A 39 5.666 5.204 -3.753 1.00 0.00 C ATOM 601 CG MET A 39 5.932 3.884 -3.036 1.00 0.00 C ATOM 602 SD MET A 39 7.007 2.761 -3.953 1.00 0.00 S ATOM 603 CE MET A 39 6.059 2.538 -5.454 1.00 0.00 C ATOM 0 H MET A 39 3.226 4.811 -3.249 1.00 0.00 H new ATOM 0 HA MET A 39 5.246 6.293 -1.976 1.00 0.00 H new ATOM 0 HB2 MET A 39 5.188 4.996 -4.710 1.00 0.00 H new ATOM 0 HB3 MET A 39 6.619 5.687 -3.970 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.383 4.093 -2.066 1.00 0.00 H new ATOM 0 HG3 MET A 39 4.981 3.387 -2.845 1.00 0.00 H new ATOM 0 HE1 MET A 39 6.499 1.736 -6.047 1.00 0.00 H new ATOM 0 HE2 MET A 39 5.031 2.279 -5.200 1.00 0.00 H new ATOM 0 HE3 MET A 39 6.068 3.463 -6.031 1.00 0.00 H new ATOM 613 N GLY A 40 3.840 7.692 -4.561 1.00 0.00 N ATOM 614 CA GLY A 40 3.714 8.953 -5.238 1.00 0.00 C ATOM 615 C GLY A 40 3.080 10.006 -4.368 1.00 0.00 C ATOM 616 O GLY A 40 3.533 11.146 -4.329 1.00 0.00 O ATOM 0 H GLY A 40 3.192 6.968 -4.872 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.700 9.292 -5.556 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.116 8.821 -6.140 1.00 0.00 H new ATOM 620 N ARG A 41 2.067 9.611 -3.644 1.00 0.00 N ATOM 621 CA ARG A 41 1.313 10.509 -2.798 1.00 0.00 C ATOM 622 C ARG A 41 2.121 10.988 -1.583 1.00 0.00 C ATOM 623 O ARG A 41 2.183 12.180 -1.309 1.00 0.00 O ATOM 624 CB ARG A 41 0.018 9.827 -2.353 1.00 0.00 C ATOM 625 CG ARG A 41 -0.760 10.585 -1.307 1.00 0.00 C ATOM 626 CD ARG A 41 -1.972 9.807 -0.842 1.00 0.00 C ATOM 627 NE ARG A 41 -2.084 9.890 0.602 1.00 0.00 N ATOM 628 CZ ARG A 41 -3.090 9.448 1.352 1.00 0.00 C ATOM 629 NH1 ARG A 41 -4.212 8.982 0.803 1.00 0.00 N ATOM 630 NH2 ARG A 41 -2.976 9.515 2.655 1.00 0.00 N ATOM 0 H ARG A 41 1.735 8.647 -3.622 1.00 0.00 H new ATOM 0 HA ARG A 41 1.076 11.398 -3.383 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.619 9.680 -3.225 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.258 8.838 -1.963 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.114 10.797 -0.455 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.077 11.545 -1.713 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.873 10.205 -1.309 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.887 8.765 -1.150 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.309 10.334 1.095 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.312 8.959 -0.212 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.970 8.648 1.398 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.129 9.900 3.074 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.734 9.182 3.251 1.00 0.00 H new ATOM 644 N GLU A 42 2.771 10.076 -0.891 1.00 0.00 N ATOM 645 CA GLU A 42 3.457 10.434 0.358 1.00 0.00 C ATOM 646 C GLU A 42 4.889 10.868 0.122 1.00 0.00 C ATOM 647 O GLU A 42 5.604 11.222 1.058 1.00 0.00 O ATOM 648 CB GLU A 42 3.479 9.284 1.317 1.00 0.00 C ATOM 649 CG GLU A 42 2.107 8.719 1.718 1.00 0.00 C ATOM 650 CD GLU A 42 1.200 9.738 2.396 1.00 0.00 C ATOM 651 OE1 GLU A 42 1.309 9.946 3.629 1.00 0.00 O ATOM 652 OE2 GLU A 42 0.345 10.323 1.730 1.00 0.00 O ATOM 0 H GLU A 42 2.846 9.094 -1.156 1.00 0.00 H new ATOM 0 HA GLU A 42 2.891 11.266 0.777 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.067 8.479 0.876 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.999 9.600 2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.607 8.336 0.828 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.254 7.873 2.390 1.00 0.00 H new ATOM 659 N LYS A 43 5.287 10.800 -1.115 1.00 0.00 N ATOM 660 CA LYS A 43 6.610 11.185 -1.594 1.00 0.00 C ATOM 661 C LYS A 43 7.669 10.197 -1.141 1.00 0.00 C ATOM 662 O LYS A 43 8.528 10.490 -0.292 1.00 0.00 O ATOM 663 CB LYS A 43 7.028 12.652 -1.252 1.00 0.00 C ATOM 664 CG LYS A 43 5.919 13.716 -1.373 1.00 0.00 C ATOM 665 CD LYS A 43 5.031 13.516 -2.589 1.00 0.00 C ATOM 666 CE LYS A 43 5.790 13.612 -3.911 1.00 0.00 C ATOM 667 NZ LYS A 43 4.897 13.383 -5.062 1.00 0.00 N ATOM 0 H LYS A 43 4.681 10.461 -1.862 1.00 0.00 H new ATOM 0 HA LYS A 43 6.535 11.155 -2.681 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.412 12.671 -0.232 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.851 12.937 -1.908 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.304 13.694 -0.474 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.376 14.704 -1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.551 12.540 -2.523 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.237 14.263 -2.578 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.252 14.596 -3.997 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.597 12.879 -3.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.448 13.005 -5.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.158 12.701 -4.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.454 14.281 -5.342 1.00 0.00 H new ATOM 681 N LEU A 44 7.562 9.007 -1.643 1.00 0.00 N ATOM 682 CA LEU A 44 8.537 7.998 -1.385 1.00 0.00 C ATOM 683 C LEU A 44 9.406 7.854 -2.595 1.00 0.00 C ATOM 684 O LEU A 44 8.993 8.212 -3.710 1.00 0.00 O ATOM 685 CB LEU A 44 7.935 6.622 -1.045 1.00 0.00 C ATOM 686 CG LEU A 44 7.373 6.409 0.367 1.00 0.00 C ATOM 687 CD1 LEU A 44 6.167 7.271 0.644 1.00 0.00 C ATOM 688 CD2 LEU A 44 7.041 4.953 0.578 1.00 0.00 C ATOM 0 H LEU A 44 6.794 8.708 -2.244 1.00 0.00 H new ATOM 0 HA LEU A 44 9.100 8.320 -0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.134 6.423 -1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.705 5.870 -1.214 1.00 0.00 H new ATOM 0 HG LEU A 44 8.147 6.711 1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.809 7.081 1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.441 8.322 0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.378 7.034 -0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.643 4.813 1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.297 4.640 -0.154 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.943 4.353 0.458 1.00 0.00 H new ATOM 700 N LYS A 45 10.583 7.352 -2.406 1.00 0.00 N ATOM 701 CA LYS A 45 11.460 7.110 -3.511 1.00 0.00 C ATOM 702 C LYS A 45 11.311 5.662 -3.983 1.00 0.00 C ATOM 703 O LYS A 45 11.875 4.719 -3.403 1.00 0.00 O ATOM 704 CB LYS A 45 12.905 7.492 -3.154 1.00 0.00 C ATOM 705 CG LYS A 45 13.399 6.913 -1.838 1.00 0.00 C ATOM 706 CD LYS A 45 14.795 7.383 -1.488 1.00 0.00 C ATOM 707 CE LYS A 45 14.857 8.873 -1.195 1.00 0.00 C ATOM 708 NZ LYS A 45 16.220 9.285 -0.800 1.00 0.00 N ATOM 0 H LYS A 45 10.963 7.100 -1.494 1.00 0.00 H new ATOM 0 HA LYS A 45 11.182 7.748 -4.350 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.565 7.158 -3.955 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.981 8.578 -3.111 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.713 7.195 -1.040 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.389 5.825 -1.897 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.152 6.831 -0.619 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.469 7.151 -2.312 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.547 9.433 -2.077 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.155 9.119 -0.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.231 10.307 -0.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.505 8.767 0.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.884 9.071 -1.571 1.00 0.00 H new ATOM 722 N ALA A 46 10.565 5.505 -5.049 1.00 0.00 N ATOM 723 CA ALA A 46 10.192 4.206 -5.591 1.00 0.00 C ATOM 724 C ALA A 46 11.351 3.528 -6.298 1.00 0.00 C ATOM 725 O ALA A 46 11.316 2.326 -6.563 1.00 0.00 O ATOM 726 CB ALA A 46 9.029 4.374 -6.549 1.00 0.00 C ATOM 0 H ALA A 46 10.188 6.289 -5.581 1.00 0.00 H new ATOM 0 HA ALA A 46 9.901 3.567 -4.757 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.749 3.402 -6.955 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.180 4.804 -6.018 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.321 5.037 -7.363 1.00 0.00 H new ATOM 732 N ALA A 47 12.359 4.290 -6.626 1.00 0.00 N ATOM 733 CA ALA A 47 13.518 3.754 -7.296 1.00 0.00 C ATOM 734 C ALA A 47 14.640 3.477 -6.312 1.00 0.00 C ATOM 735 O ALA A 47 15.719 3.037 -6.695 1.00 0.00 O ATOM 736 CB ALA A 47 13.989 4.712 -8.374 1.00 0.00 C ATOM 0 H ALA A 47 12.403 5.292 -6.439 1.00 0.00 H new ATOM 0 HA ALA A 47 13.235 2.809 -7.759 1.00 0.00 H new ATOM 0 HB1 ALA A 47 14.865 4.296 -8.873 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.192 4.860 -9.103 1.00 0.00 H new ATOM 0 HB3 ALA A 47 14.249 5.669 -7.922 1.00 0.00 H new ATOM 742 N ASP A 48 14.402 3.716 -5.048 1.00 0.00 N ATOM 743 CA ASP A 48 15.467 3.519 -4.074 1.00 0.00 C ATOM 744 C ASP A 48 15.048 2.568 -2.977 1.00 0.00 C ATOM 745 O ASP A 48 15.877 1.864 -2.398 1.00 0.00 O ATOM 746 CB ASP A 48 15.914 4.847 -3.494 1.00 0.00 C ATOM 747 CG ASP A 48 17.182 4.741 -2.685 1.00 0.00 C ATOM 748 OD1 ASP A 48 18.256 4.542 -3.285 1.00 0.00 O ATOM 749 OD2 ASP A 48 17.136 4.882 -1.436 1.00 0.00 O ATOM 0 H ASP A 48 13.512 4.038 -4.668 1.00 0.00 H new ATOM 0 HA ASP A 48 16.312 3.067 -4.594 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.066 5.559 -4.306 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.120 5.247 -2.864 1.00 0.00 H new ATOM 754 N CYS A 49 13.778 2.519 -2.704 1.00 0.00 N ATOM 755 CA CYS A 49 13.275 1.631 -1.701 1.00 0.00 C ATOM 756 C CYS A 49 12.028 0.945 -2.222 1.00 0.00 C ATOM 757 O CYS A 49 11.397 1.426 -3.180 1.00 0.00 O ATOM 758 CB CYS A 49 12.994 2.399 -0.402 1.00 0.00 C ATOM 759 SG CYS A 49 11.799 3.756 -0.569 1.00 0.00 S ATOM 0 H CYS A 49 13.068 3.088 -3.166 1.00 0.00 H new ATOM 0 HA CYS A 49 14.021 0.869 -1.475 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.625 1.698 0.347 1.00 0.00 H new ATOM 0 HB3 CYS A 49 13.933 2.804 -0.024 1.00 0.00 H new ATOM 0 HG CYS A 49 11.671 4.069 -1.824 1.00 0.00 H new ATOM 765 N ASP A 50 11.686 -0.162 -1.630 1.00 0.00 N ATOM 766 CA ASP A 50 10.530 -0.917 -2.029 1.00 0.00 C ATOM 767 C ASP A 50 9.481 -0.772 -0.973 1.00 0.00 C ATOM 768 O ASP A 50 9.784 -0.478 0.196 1.00 0.00 O ATOM 769 CB ASP A 50 10.861 -2.398 -2.226 1.00 0.00 C ATOM 770 CG ASP A 50 9.689 -3.203 -2.775 1.00 0.00 C ATOM 771 OD1 ASP A 50 8.957 -2.688 -3.648 1.00 0.00 O ATOM 772 OD2 ASP A 50 9.493 -4.368 -2.365 1.00 0.00 O ATOM 0 H ASP A 50 12.203 -0.571 -0.852 1.00 0.00 H new ATOM 0 HA ASP A 50 10.173 -0.531 -2.984 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.707 -2.488 -2.907 1.00 0.00 H new ATOM 0 HB3 ASP A 50 11.173 -2.825 -1.273 1.00 0.00 H new ATOM 777 N LEU A 51 8.282 -0.982 -1.343 1.00 0.00 N ATOM 778 CA LEU A 51 7.210 -0.835 -0.445 1.00 0.00 C ATOM 779 C LEU A 51 6.610 -2.205 -0.211 1.00 0.00 C ATOM 780 O LEU A 51 6.135 -2.854 -1.134 1.00 0.00 O ATOM 781 CB LEU A 51 6.193 0.162 -1.004 1.00 0.00 C ATOM 782 CG LEU A 51 5.127 0.636 -0.039 1.00 0.00 C ATOM 783 CD1 LEU A 51 5.785 1.295 1.153 1.00 0.00 C ATOM 784 CD2 LEU A 51 4.201 1.617 -0.712 1.00 0.00 C ATOM 0 H LEU A 51 8.013 -1.263 -2.286 1.00 0.00 H new ATOM 0 HA LEU A 51 7.546 -0.432 0.511 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.734 1.033 -1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.700 -0.295 -1.862 1.00 0.00 H new ATOM 0 HG LEU A 51 4.543 -0.224 0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.019 1.637 1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.435 0.577 1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.376 2.147 0.817 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.442 1.946 -0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.772 2.478 -1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.718 1.137 -1.563 1.00 0.00 H new ATOM 796 N GLN A 52 6.680 -2.659 0.990 1.00 0.00 N ATOM 797 CA GLN A 52 6.214 -3.966 1.312 1.00 0.00 C ATOM 798 C GLN A 52 5.057 -3.869 2.270 1.00 0.00 C ATOM 799 O GLN A 52 5.188 -3.403 3.396 1.00 0.00 O ATOM 800 CB GLN A 52 7.356 -4.779 1.862 1.00 0.00 C ATOM 801 CG GLN A 52 7.075 -6.250 2.028 1.00 0.00 C ATOM 802 CD GLN A 52 8.347 -7.006 2.289 1.00 0.00 C ATOM 803 OE1 GLN A 52 9.006 -7.461 1.364 1.00 0.00 O ATOM 804 NE2 GLN A 52 8.706 -7.146 3.520 1.00 0.00 N ATOM 0 H GLN A 52 7.061 -2.137 1.779 1.00 0.00 H new ATOM 0 HA GLN A 52 5.849 -4.475 0.420 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.215 -4.662 1.202 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.640 -4.368 2.831 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.380 -6.402 2.854 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.593 -6.637 1.130 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.132 -6.753 4.266 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.564 -7.649 3.747 1.00 0.00 H new ATOM 813 N ILE A 53 3.930 -4.285 1.818 1.00 0.00 N ATOM 814 CA ILE A 53 2.722 -4.142 2.573 1.00 0.00 C ATOM 815 C ILE A 53 2.449 -5.441 3.296 1.00 0.00 C ATOM 816 O ILE A 53 2.623 -6.496 2.734 1.00 0.00 O ATOM 817 CB ILE A 53 1.535 -3.818 1.632 1.00 0.00 C ATOM 818 CG1 ILE A 53 1.888 -2.687 0.650 1.00 0.00 C ATOM 819 CG2 ILE A 53 0.288 -3.466 2.422 1.00 0.00 C ATOM 820 CD1 ILE A 53 2.309 -1.383 1.267 1.00 0.00 C ATOM 0 H ILE A 53 3.811 -4.737 0.911 1.00 0.00 H new ATOM 0 HA ILE A 53 2.834 -3.326 3.287 1.00 0.00 H new ATOM 0 HB ILE A 53 1.329 -4.717 1.051 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.692 -3.035 0.001 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.022 -2.502 0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.528 -3.244 1.734 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.009 -4.308 3.056 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.486 -2.593 3.044 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.532 -0.663 0.480 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.503 -0.999 1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.198 -1.540 1.878 1.00 0.00 H new ATOM 832 N THR A 54 2.089 -5.376 4.526 1.00 0.00 N ATOM 833 CA THR A 54 1.761 -6.558 5.262 1.00 0.00 C ATOM 834 C THR A 54 0.336 -6.442 5.767 1.00 0.00 C ATOM 835 O THR A 54 -0.110 -5.367 6.120 1.00 0.00 O ATOM 836 CB THR A 54 2.725 -6.744 6.438 1.00 0.00 C ATOM 837 OG1 THR A 54 4.065 -6.639 5.940 1.00 0.00 O ATOM 838 CG2 THR A 54 2.523 -8.109 7.103 1.00 0.00 C ATOM 0 H THR A 54 2.011 -4.508 5.056 1.00 0.00 H new ATOM 0 HA THR A 54 1.851 -7.427 4.610 1.00 0.00 H new ATOM 0 HB THR A 54 2.534 -5.977 7.188 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.699 -6.754 6.679 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.220 -8.215 7.935 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.501 -8.185 7.474 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.705 -8.899 6.374 1.00 0.00 H new ATOM 846 N ASN A 55 -0.380 -7.513 5.745 1.00 0.00 N ATOM 847 CA ASN A 55 -1.732 -7.509 6.229 1.00 0.00 C ATOM 848 C ASN A 55 -1.720 -7.478 7.753 1.00 0.00 C ATOM 849 O ASN A 55 -0.894 -8.136 8.377 1.00 0.00 O ATOM 850 CB ASN A 55 -2.453 -8.743 5.756 1.00 0.00 C ATOM 851 CG ASN A 55 -3.925 -8.617 5.890 1.00 0.00 C ATOM 852 OD1 ASN A 55 -4.480 -8.852 6.934 1.00 0.00 O ATOM 853 ND2 ASN A 55 -4.570 -8.311 4.845 1.00 0.00 N ATOM 0 H ASN A 55 -0.055 -8.414 5.395 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.248 -6.629 5.846 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.200 -8.933 4.713 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.110 -9.604 6.329 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.588 -8.258 4.871 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.072 -8.118 3.976 1.00 0.00 H new ATOM 860 N ALA A 56 -2.611 -6.714 8.345 1.00 0.00 N ATOM 861 CA ALA A 56 -2.675 -6.613 9.799 1.00 0.00 C ATOM 862 C ALA A 56 -3.405 -7.802 10.400 1.00 0.00 C ATOM 863 O ALA A 56 -3.130 -8.220 11.522 1.00 0.00 O ATOM 864 CB ALA A 56 -3.382 -5.338 10.196 1.00 0.00 C ATOM 0 H ALA A 56 -3.303 -6.152 7.849 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.654 -6.604 10.181 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.426 -5.270 11.283 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.837 -4.481 9.800 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.394 -5.342 9.792 1.00 0.00 H new ATOM 870 N GLN A 57 -4.305 -8.351 9.632 1.00 0.00 N ATOM 871 CA GLN A 57 -5.164 -9.413 10.083 1.00 0.00 C ATOM 872 C GLN A 57 -4.564 -10.785 9.776 1.00 0.00 C ATOM 873 O GLN A 57 -4.491 -11.645 10.647 1.00 0.00 O ATOM 874 CB GLN A 57 -6.574 -9.303 9.438 1.00 0.00 C ATOM 875 CG GLN A 57 -7.361 -8.008 9.745 1.00 0.00 C ATOM 876 CD GLN A 57 -6.819 -6.740 9.088 1.00 0.00 C ATOM 877 OE1 GLN A 57 -6.938 -5.653 9.635 1.00 0.00 O ATOM 878 NE2 GLN A 57 -6.300 -6.848 7.891 1.00 0.00 N ATOM 0 H GLN A 57 -4.465 -8.071 8.664 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.260 -9.310 11.164 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.465 -9.391 8.357 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.170 -10.154 9.768 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -8.395 -8.148 9.428 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.376 -7.859 10.825 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -6.211 -7.766 7.455 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.985 -6.014 7.395 1.00 0.00 H new ATOM 887 N THR A 58 -4.128 -10.987 8.547 1.00 0.00 N ATOM 888 CA THR A 58 -3.643 -12.289 8.129 1.00 0.00 C ATOM 889 C THR A 58 -2.138 -12.366 8.303 1.00 0.00 C ATOM 890 O THR A 58 -1.563 -13.451 8.368 1.00 0.00 O ATOM 891 CB THR A 58 -4.001 -12.567 6.640 1.00 0.00 C ATOM 892 OG1 THR A 58 -3.258 -11.686 5.790 1.00 0.00 O ATOM 893 CG2 THR A 58 -5.475 -12.305 6.396 1.00 0.00 C ATOM 0 H THR A 58 -4.100 -10.269 7.823 1.00 0.00 H new ATOM 0 HA THR A 58 -4.125 -13.042 8.753 1.00 0.00 H new ATOM 0 HB THR A 58 -3.761 -13.608 6.422 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.485 -11.866 4.854 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.712 -12.503 5.351 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.071 -12.958 7.033 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.703 -11.265 6.629 1.00 0.00 H new ATOM 901 N LYS A 59 -1.517 -11.184 8.384 1.00 0.00 N ATOM 902 CA LYS A 59 -0.069 -11.014 8.513 1.00 0.00 C ATOM 903 C LYS A 59 0.655 -11.500 7.263 1.00 0.00 C ATOM 904 O LYS A 59 1.843 -11.836 7.299 1.00 0.00 O ATOM 905 CB LYS A 59 0.478 -11.682 9.784 1.00 0.00 C ATOM 906 CG LYS A 59 -0.184 -11.207 11.081 1.00 0.00 C ATOM 907 CD LYS A 59 -0.100 -9.688 11.285 1.00 0.00 C ATOM 908 CE LYS A 59 1.332 -9.183 11.351 1.00 0.00 C ATOM 909 NZ LYS A 59 1.390 -7.737 11.626 1.00 0.00 N ATOM 0 H LYS A 59 -2.022 -10.298 8.361 1.00 0.00 H new ATOM 0 HA LYS A 59 0.125 -9.946 8.613 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.348 -12.761 9.698 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.550 -11.494 9.847 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.231 -11.509 11.078 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.289 -11.707 11.926 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.620 -9.187 10.469 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.618 -9.420 12.206 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.872 -9.723 12.129 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.836 -9.394 10.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.383 -7.430 11.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.896 -7.220 10.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.932 -7.538 12.538 1.00 0.00 H new ATOM 923 N GLU A 60 -0.062 -11.508 6.157 1.00 0.00 N ATOM 924 CA GLU A 60 0.499 -11.893 4.885 1.00 0.00 C ATOM 925 C GLU A 60 1.224 -10.692 4.301 1.00 0.00 C ATOM 926 O GLU A 60 0.674 -9.580 4.297 1.00 0.00 O ATOM 927 CB GLU A 60 -0.625 -12.310 3.944 1.00 0.00 C ATOM 928 CG GLU A 60 -0.169 -12.873 2.611 1.00 0.00 C ATOM 929 CD GLU A 60 -1.326 -13.132 1.684 1.00 0.00 C ATOM 930 OE1 GLU A 60 -2.339 -13.701 2.120 1.00 0.00 O ATOM 931 OE2 GLU A 60 -1.243 -12.782 0.493 1.00 0.00 O ATOM 0 H GLU A 60 -1.047 -11.248 6.118 1.00 0.00 H new ATOM 0 HA GLU A 60 1.190 -12.727 5.013 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.240 -13.057 4.446 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.262 -11.445 3.757 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.524 -12.175 2.140 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.378 -13.801 2.777 1.00 0.00 H new ATOM 938 N GLU A 61 2.436 -10.882 3.856 1.00 0.00 N ATOM 939 CA GLU A 61 3.163 -9.843 3.246 1.00 0.00 C ATOM 940 C GLU A 61 2.912 -9.850 1.779 1.00 0.00 C ATOM 941 O GLU A 61 2.913 -10.899 1.132 1.00 0.00 O ATOM 942 CB GLU A 61 4.628 -9.996 3.509 1.00 0.00 C ATOM 943 CG GLU A 61 4.997 -9.760 4.934 1.00 0.00 C ATOM 944 CD GLU A 61 6.457 -9.970 5.192 1.00 0.00 C ATOM 945 OE1 GLU A 61 6.944 -11.092 5.014 1.00 0.00 O ATOM 946 OE2 GLU A 61 7.151 -9.011 5.564 1.00 0.00 O ATOM 0 H GLU A 61 2.934 -11.770 3.914 1.00 0.00 H new ATOM 0 HA GLU A 61 2.833 -8.894 3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.939 -11.000 3.221 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.179 -9.299 2.878 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.725 -8.742 5.212 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.419 -10.430 5.571 1.00 0.00 H new ATOM 953 N TYR A 62 2.693 -8.715 1.271 1.00 0.00 N ATOM 954 CA TYR A 62 2.437 -8.544 -0.120 1.00 0.00 C ATOM 955 C TYR A 62 3.702 -8.051 -0.775 1.00 0.00 C ATOM 956 O TYR A 62 4.048 -6.866 -0.689 1.00 0.00 O ATOM 957 CB TYR A 62 1.276 -7.572 -0.349 1.00 0.00 C ATOM 958 CG TYR A 62 0.010 -7.963 0.382 1.00 0.00 C ATOM 959 CD1 TYR A 62 -0.742 -9.043 -0.040 1.00 0.00 C ATOM 960 CD2 TYR A 62 -0.432 -7.251 1.486 1.00 0.00 C ATOM 961 CE1 TYR A 62 -1.896 -9.406 0.611 1.00 0.00 C ATOM 962 CE2 TYR A 62 -1.586 -7.610 2.147 1.00 0.00 C ATOM 963 CZ TYR A 62 -2.314 -8.690 1.702 1.00 0.00 C ATOM 964 OH TYR A 62 -3.472 -9.048 2.352 1.00 0.00 O ATOM 0 H TYR A 62 2.682 -7.847 1.807 1.00 0.00 H new ATOM 0 HA TYR A 62 2.142 -9.495 -0.563 1.00 0.00 H new ATOM 0 HB2 TYR A 62 1.578 -6.575 -0.028 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.066 -7.514 -1.417 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.416 -9.612 -0.898 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.137 -6.401 1.833 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.471 -10.252 0.264 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.917 -7.048 3.008 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.611 -10.014 2.265 1.00 0.00 H new ATOM 974 N THR A 63 4.426 -8.970 -1.340 1.00 0.00 N ATOM 975 CA THR A 63 5.682 -8.688 -1.971 1.00 0.00 C ATOM 976 C THR A 63 5.524 -8.597 -3.488 1.00 0.00 C ATOM 977 O THR A 63 6.304 -7.918 -4.178 1.00 0.00 O ATOM 978 CB THR A 63 6.681 -9.807 -1.617 1.00 0.00 C ATOM 979 OG1 THR A 63 6.064 -11.086 -1.875 1.00 0.00 O ATOM 980 CG2 THR A 63 7.077 -9.738 -0.150 1.00 0.00 C ATOM 0 H THR A 63 4.157 -9.953 -1.376 1.00 0.00 H new ATOM 0 HA THR A 63 6.051 -7.727 -1.611 1.00 0.00 H new ATOM 0 HB THR A 63 7.576 -9.681 -2.227 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.694 -11.804 -1.654 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.782 -10.538 0.074 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.543 -8.775 0.056 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.189 -9.852 0.472 1.00 0.00 H new ATOM 988 N ASP A 64 4.511 -9.261 -4.000 1.00 0.00 N ATOM 989 CA ASP A 64 4.287 -9.331 -5.431 1.00 0.00 C ATOM 990 C ASP A 64 3.328 -8.239 -5.819 1.00 0.00 C ATOM 991 O ASP A 64 2.261 -8.146 -5.238 1.00 0.00 O ATOM 992 CB ASP A 64 3.644 -10.658 -5.777 1.00 0.00 C ATOM 993 CG ASP A 64 3.855 -11.056 -7.181 1.00 0.00 C ATOM 994 OD1 ASP A 64 4.893 -11.641 -7.499 1.00 0.00 O ATOM 995 OD2 ASP A 64 2.965 -10.833 -7.987 1.00 0.00 O ATOM 0 H ASP A 64 3.822 -9.765 -3.442 1.00 0.00 H new ATOM 0 HA ASP A 64 5.237 -9.224 -5.955 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.046 -11.431 -5.122 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.574 -10.598 -5.580 1.00 0.00 H new ATOM 1000 N ASP A 65 3.665 -7.437 -6.819 1.00 0.00 N ATOM 1001 CA ASP A 65 2.794 -6.293 -7.248 1.00 0.00 C ATOM 1002 C ASP A 65 1.418 -6.730 -7.739 1.00 0.00 C ATOM 1003 O ASP A 65 0.515 -5.900 -7.916 1.00 0.00 O ATOM 1004 CB ASP A 65 3.446 -5.411 -8.327 1.00 0.00 C ATOM 1005 CG ASP A 65 4.530 -4.479 -7.833 1.00 0.00 C ATOM 1006 OD1 ASP A 65 5.584 -4.947 -7.366 1.00 0.00 O ATOM 1007 OD2 ASP A 65 4.341 -3.239 -7.863 1.00 0.00 O ATOM 0 H ASP A 65 4.524 -7.536 -7.360 1.00 0.00 H new ATOM 0 HA ASP A 65 2.668 -5.706 -6.338 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.869 -6.058 -9.095 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.668 -4.816 -8.805 1.00 0.00 H new ATOM 1012 N ASN A 66 1.255 -8.016 -7.930 1.00 0.00 N ATOM 1013 CA ASN A 66 0.016 -8.577 -8.427 1.00 0.00 C ATOM 1014 C ASN A 66 -0.896 -8.960 -7.278 1.00 0.00 C ATOM 1015 O ASN A 66 -2.004 -9.463 -7.500 1.00 0.00 O ATOM 1016 CB ASN A 66 0.296 -9.799 -9.287 1.00 0.00 C ATOM 1017 CG ASN A 66 1.196 -9.500 -10.464 1.00 0.00 C ATOM 1018 OD1 ASN A 66 0.733 -9.181 -11.566 1.00 0.00 O ATOM 1019 ND2 ASN A 66 2.480 -9.609 -10.243 1.00 0.00 N ATOM 0 H ASN A 66 1.980 -8.709 -7.745 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.480 -7.819 -9.033 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.757 -10.572 -8.672 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.648 -10.203 -9.652 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.144 -9.428 -10.996 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.818 -9.875 -9.318 1.00 0.00 H new ATOM 1026 N ALA A 67 -0.417 -8.770 -6.050 1.00 0.00 N ATOM 1027 CA ALA A 67 -1.237 -8.988 -4.862 1.00 0.00 C ATOM 1028 C ALA A 67 -2.320 -7.922 -4.819 1.00 0.00 C ATOM 1029 O ALA A 67 -2.136 -6.860 -5.368 1.00 0.00 O ATOM 1030 CB ALA A 67 -0.382 -8.918 -3.609 1.00 0.00 C ATOM 0 H ALA A 67 0.536 -8.465 -5.853 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.692 -9.978 -4.906 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.008 -9.082 -2.732 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.391 -9.685 -3.653 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.086 -7.936 -3.542 1.00 0.00 H new ATOM 1036 N LEU A 68 -3.442 -8.209 -4.246 1.00 0.00 N ATOM 1037 CA LEU A 68 -4.528 -7.252 -4.219 1.00 0.00 C ATOM 1038 C LEU A 68 -4.898 -6.886 -2.787 1.00 0.00 C ATOM 1039 O LEU A 68 -4.863 -7.755 -1.900 1.00 0.00 O ATOM 1040 CB LEU A 68 -5.735 -7.781 -5.012 1.00 0.00 C ATOM 1041 CG LEU A 68 -6.556 -8.898 -4.375 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -7.620 -8.312 -3.500 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -7.154 -9.797 -5.423 1.00 0.00 C ATOM 0 H LEU A 68 -3.643 -9.097 -3.786 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.195 -6.335 -4.705 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.403 -6.942 -5.209 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.375 -8.136 -5.978 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.894 -9.509 -3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.203 -9.115 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.157 -7.714 -2.715 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.276 -7.680 -4.099 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.734 -10.584 -4.940 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.806 -9.214 -6.074 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.357 -10.246 -6.016 1.00 0.00 H new ATOM 1055 N ILE A 69 -5.166 -5.627 -2.520 1.00 0.00 N ATOM 1056 CA ILE A 69 -5.668 -5.262 -1.210 1.00 0.00 C ATOM 1057 C ILE A 69 -7.071 -4.632 -1.327 1.00 0.00 C ATOM 1058 O ILE A 69 -7.244 -3.588 -1.952 1.00 0.00 O ATOM 1059 CB ILE A 69 -4.717 -4.324 -0.382 1.00 0.00 C ATOM 1060 CG1 ILE A 69 -3.354 -4.982 -0.100 1.00 0.00 C ATOM 1061 CG2 ILE A 69 -5.367 -3.913 0.934 1.00 0.00 C ATOM 1062 CD1 ILE A 69 -2.368 -4.958 -1.249 1.00 0.00 C ATOM 0 H ILE A 69 -5.049 -4.853 -3.174 1.00 0.00 H new ATOM 0 HA ILE A 69 -5.720 -6.195 -0.649 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.545 -3.438 -0.993 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.900 -4.483 0.756 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.524 -6.019 0.189 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.688 -3.264 1.488 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.295 -3.378 0.730 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.583 -4.802 1.526 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.442 -5.447 -0.944 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.792 -5.485 -2.104 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.159 -3.925 -1.527 1.00 0.00 H new ATOM 1074 N PRO A 70 -8.093 -5.304 -0.795 1.00 0.00 N ATOM 1075 CA PRO A 70 -9.465 -4.793 -0.779 1.00 0.00 C ATOM 1076 C PRO A 70 -9.712 -3.773 0.319 1.00 0.00 C ATOM 1077 O PRO A 70 -9.026 -3.768 1.339 1.00 0.00 O ATOM 1078 CB PRO A 70 -10.292 -6.042 -0.498 1.00 0.00 C ATOM 1079 CG PRO A 70 -9.387 -6.919 0.291 1.00 0.00 C ATOM 1080 CD PRO A 70 -8.002 -6.647 -0.202 1.00 0.00 C ATOM 0 HA PRO A 70 -9.705 -4.277 -1.709 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -11.197 -5.801 0.060 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -10.607 -6.526 -1.423 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.469 -6.704 1.356 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.648 -7.969 0.156 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.276 -6.676 0.611 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.687 -7.388 -0.937 1.00 0.00 H new ATOM 1088 N LYS A 71 -10.758 -2.946 0.145 1.00 0.00 N ATOM 1089 CA LYS A 71 -11.164 -1.964 1.158 1.00 0.00 C ATOM 1090 C LYS A 71 -11.779 -2.635 2.390 1.00 0.00 C ATOM 1091 O LYS A 71 -12.314 -1.987 3.266 1.00 0.00 O ATOM 1092 CB LYS A 71 -12.095 -0.908 0.538 1.00 0.00 C ATOM 1093 CG LYS A 71 -13.206 -1.459 -0.352 1.00 0.00 C ATOM 1094 CD LYS A 71 -14.362 -2.165 0.383 1.00 0.00 C ATOM 1095 CE LYS A 71 -15.342 -1.216 1.110 1.00 0.00 C ATOM 1096 NZ LYS A 71 -14.780 -0.537 2.296 1.00 0.00 N ATOM 0 H LYS A 71 -11.338 -2.941 -0.694 1.00 0.00 H new ATOM 0 HA LYS A 71 -10.270 -1.449 1.511 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.550 -0.331 1.343 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.492 -0.216 -0.049 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.620 -0.637 -0.937 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.765 -2.163 -1.058 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.922 -2.761 -0.338 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.941 -2.858 1.111 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.685 -0.460 0.404 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.219 -1.787 1.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.511 -0.461 3.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.976 -1.086 2.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.456 0.415 2.030 1.00 0.00 H new ATOM 1110 N ASN A 72 -11.745 -3.933 2.386 1.00 0.00 N ATOM 1111 CA ASN A 72 -12.140 -4.754 3.526 1.00 0.00 C ATOM 1112 C ASN A 72 -10.951 -4.971 4.448 1.00 0.00 C ATOM 1113 O ASN A 72 -11.108 -5.249 5.627 1.00 0.00 O ATOM 1114 CB ASN A 72 -12.686 -6.116 3.062 1.00 0.00 C ATOM 1115 CG ASN A 72 -14.135 -6.091 2.585 1.00 0.00 C ATOM 1116 OD1 ASN A 72 -14.634 -4.942 2.230 1.00 0.00 O flip ATOM 1117 ND2 ASN A 72 -14.809 -7.107 2.592 1.00 0.00 N flip ATOM 0 H ASN A 72 -11.438 -4.477 1.580 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.929 -4.228 4.064 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.057 -6.488 2.253 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.600 -6.826 3.884 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -14.392 -7.994 2.875 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.790 -7.070 2.315 1.00 0.00 H new ATOM 1124 N SER A 73 -9.764 -4.793 3.922 1.00 0.00 N ATOM 1125 CA SER A 73 -8.567 -5.072 4.664 1.00 0.00 C ATOM 1126 C SER A 73 -7.889 -3.809 5.172 1.00 0.00 C ATOM 1127 O SER A 73 -7.903 -2.773 4.512 1.00 0.00 O ATOM 1128 CB SER A 73 -7.597 -5.843 3.775 1.00 0.00 C ATOM 1129 OG SER A 73 -8.178 -7.061 3.337 1.00 0.00 O ATOM 0 H SER A 73 -9.605 -4.453 2.974 1.00 0.00 H new ATOM 0 HA SER A 73 -8.849 -5.663 5.535 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.323 -5.234 2.913 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.678 -6.049 4.324 1.00 0.00 H new ATOM 0 HG SER A 73 -7.541 -7.541 2.767 1.00 0.00 H new ATOM 1135 N SER A 74 -7.364 -3.893 6.368 1.00 0.00 N ATOM 1136 CA SER A 74 -6.507 -2.878 6.883 1.00 0.00 C ATOM 1137 C SER A 74 -5.094 -3.438 6.794 1.00 0.00 C ATOM 1138 O SER A 74 -4.840 -4.586 7.212 1.00 0.00 O ATOM 1139 CB SER A 74 -6.875 -2.537 8.324 1.00 0.00 C ATOM 1140 OG SER A 74 -8.246 -2.171 8.422 1.00 0.00 O ATOM 0 H SER A 74 -7.525 -4.672 7.006 1.00 0.00 H new ATOM 0 HA SER A 74 -6.599 -1.952 6.316 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.676 -3.394 8.967 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.249 -1.719 8.680 1.00 0.00 H new ATOM 0 HG SER A 74 -8.462 -1.958 9.354 1.00 0.00 H new ATOM 1146 N VAL A 75 -4.204 -2.704 6.214 1.00 0.00 N ATOM 1147 CA VAL A 75 -2.873 -3.199 5.986 1.00 0.00 C ATOM 1148 C VAL A 75 -1.801 -2.310 6.612 1.00 0.00 C ATOM 1149 O VAL A 75 -2.033 -1.129 6.898 1.00 0.00 O ATOM 1150 CB VAL A 75 -2.592 -3.469 4.469 1.00 0.00 C ATOM 1151 CG1 VAL A 75 -3.377 -4.683 3.986 1.00 0.00 C ATOM 1152 CG2 VAL A 75 -2.966 -2.272 3.605 1.00 0.00 C ATOM 0 H VAL A 75 -4.368 -1.753 5.885 1.00 0.00 H new ATOM 0 HA VAL A 75 -2.817 -4.161 6.496 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.522 -3.653 4.373 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.169 -4.854 2.930 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.081 -5.560 4.561 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.444 -4.504 4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.756 -2.498 2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.028 -2.055 3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.382 -1.405 3.913 1.00 0.00 H new ATOM 1162 N ILE A 76 -0.665 -2.896 6.852 1.00 0.00 N ATOM 1163 CA ILE A 76 0.470 -2.242 7.453 1.00 0.00 C ATOM 1164 C ILE A 76 1.458 -1.961 6.347 1.00 0.00 C ATOM 1165 O ILE A 76 1.834 -2.868 5.598 1.00 0.00 O ATOM 1166 CB ILE A 76 1.162 -3.170 8.499 1.00 0.00 C ATOM 1167 CG1 ILE A 76 0.149 -3.730 9.519 1.00 0.00 C ATOM 1168 CG2 ILE A 76 2.302 -2.441 9.215 1.00 0.00 C ATOM 1169 CD1 ILE A 76 -0.589 -2.681 10.325 1.00 0.00 C ATOM 0 H ILE A 76 -0.493 -3.876 6.629 1.00 0.00 H new ATOM 0 HA ILE A 76 0.143 -1.333 7.958 1.00 0.00 H new ATOM 0 HB ILE A 76 1.585 -4.013 7.953 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.582 -4.339 8.987 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.676 -4.392 10.207 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.766 -3.112 9.938 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.046 -2.124 8.485 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.907 -1.567 9.733 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.278 -3.170 11.014 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.128 -2.085 10.890 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.149 -2.032 9.652 1.00 0.00 H new ATOM 1181 N VAL A 77 1.857 -0.748 6.223 1.00 0.00 N ATOM 1182 CA VAL A 77 2.749 -0.372 5.176 1.00 0.00 C ATOM 1183 C VAL A 77 4.176 -0.254 5.708 1.00 0.00 C ATOM 1184 O VAL A 77 4.481 0.598 6.557 1.00 0.00 O ATOM 1185 CB VAL A 77 2.294 0.943 4.524 1.00 0.00 C ATOM 1186 CG1 VAL A 77 3.180 1.301 3.369 1.00 0.00 C ATOM 1187 CG2 VAL A 77 0.860 0.818 4.063 1.00 0.00 C ATOM 0 H VAL A 77 1.578 0.015 6.840 1.00 0.00 H new ATOM 0 HA VAL A 77 2.734 -1.149 4.412 1.00 0.00 H new ATOM 0 HB VAL A 77 2.364 1.739 5.265 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.838 2.235 2.924 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.205 1.420 3.720 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.142 0.508 2.622 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.543 1.753 3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.781 0.010 3.336 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.220 0.601 4.918 1.00 0.00 H new ATOM 1197 N ARG A 78 5.021 -1.130 5.228 1.00 0.00 N ATOM 1198 CA ARG A 78 6.406 -1.199 5.621 1.00 0.00 C ATOM 1199 C ARG A 78 7.279 -0.817 4.426 1.00 0.00 C ATOM 1200 O ARG A 78 6.996 -1.193 3.296 1.00 0.00 O ATOM 1201 CB ARG A 78 6.714 -2.644 6.078 1.00 0.00 C ATOM 1202 CG ARG A 78 8.165 -2.942 6.440 1.00 0.00 C ATOM 1203 CD ARG A 78 8.626 -2.205 7.684 1.00 0.00 C ATOM 1204 NE ARG A 78 10.019 -2.536 8.000 1.00 0.00 N ATOM 1205 CZ ARG A 78 10.627 -2.326 9.172 1.00 0.00 C ATOM 1206 NH1 ARG A 78 9.954 -1.814 10.207 1.00 0.00 N ATOM 1207 NH2 ARG A 78 11.905 -2.646 9.304 1.00 0.00 N ATOM 0 H ARG A 78 4.759 -1.832 4.536 1.00 0.00 H new ATOM 0 HA ARG A 78 6.612 -0.511 6.441 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.092 -2.869 6.944 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.412 -3.326 5.283 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.283 -4.015 6.595 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.807 -2.668 5.603 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.529 -1.130 7.532 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.985 -2.467 8.526 1.00 0.00 H new ATOM 0 HE ARG A 78 10.574 -2.965 7.259 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.966 -1.579 10.107 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.428 -1.658 11.097 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.414 -3.048 8.517 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.380 -2.491 10.193 1.00 0.00 H new ATOM 1221 N ARG A 79 8.298 -0.064 4.662 1.00 0.00 N ATOM 1222 CA ARG A 79 9.214 0.313 3.621 1.00 0.00 C ATOM 1223 C ARG A 79 10.426 -0.595 3.757 1.00 0.00 C ATOM 1224 O ARG A 79 10.952 -0.755 4.860 1.00 0.00 O ATOM 1225 CB ARG A 79 9.612 1.775 3.806 1.00 0.00 C ATOM 1226 CG ARG A 79 10.352 2.388 2.636 1.00 0.00 C ATOM 1227 CD ARG A 79 10.793 3.808 2.958 1.00 0.00 C ATOM 1228 NE ARG A 79 9.674 4.683 3.382 1.00 0.00 N ATOM 1229 CZ ARG A 79 9.829 5.886 3.980 1.00 0.00 C ATOM 1230 NH1 ARG A 79 11.052 6.364 4.220 1.00 0.00 N ATOM 1231 NH2 ARG A 79 8.758 6.597 4.348 1.00 0.00 N ATOM 0 H ARG A 79 8.527 0.313 5.582 1.00 0.00 H new ATOM 0 HA ARG A 79 8.769 0.209 2.631 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.712 2.360 3.994 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.237 1.856 4.695 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.222 1.779 2.391 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.709 2.393 1.756 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.543 3.779 3.749 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.272 4.241 2.080 1.00 0.00 H new ATOM 0 HE ARG A 79 8.723 4.356 3.211 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.873 5.822 3.952 1.00 0.00 H new ATOM 0 HH12 ARG A 79 11.165 7.272 4.671 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.821 6.232 4.178 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.878 7.504 4.799 1.00 0.00 H new ATOM 1245 N ILE A 80 10.835 -1.235 2.687 1.00 0.00 N ATOM 1246 CA ILE A 80 11.953 -2.162 2.754 1.00 0.00 C ATOM 1247 C ILE A 80 12.987 -1.806 1.677 1.00 0.00 C ATOM 1248 O ILE A 80 12.643 -1.179 0.680 1.00 0.00 O ATOM 1249 CB ILE A 80 11.474 -3.675 2.647 1.00 0.00 C ATOM 1250 CG1 ILE A 80 10.868 -4.015 1.283 1.00 0.00 C ATOM 1251 CG2 ILE A 80 10.472 -4.019 3.737 1.00 0.00 C ATOM 1252 CD1 ILE A 80 11.837 -4.644 0.316 1.00 0.00 C ATOM 0 H ILE A 80 10.417 -1.136 1.762 1.00 0.00 H new ATOM 0 HA ILE A 80 12.428 -2.064 3.730 1.00 0.00 H new ATOM 0 HB ILE A 80 12.375 -4.276 2.774 1.00 0.00 H new ATOM 0 HG12 ILE A 80 10.027 -4.693 1.430 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.468 -3.104 0.838 1.00 0.00 H new ATOM 0 HG21 ILE A 80 10.166 -5.060 3.634 1.00 0.00 H new ATOM 0 HG22 ILE A 80 10.932 -3.871 4.714 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.599 -3.373 3.645 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.328 -4.853 -0.625 1.00 0.00 H new ATOM 0 HD12 ILE A 80 12.666 -3.960 0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.219 -5.574 0.737 1.00 0.00 H new ATOM 1264 N PRO A 81 14.263 -2.139 1.878 1.00 0.00 N ATOM 1265 CA PRO A 81 15.304 -1.853 0.889 1.00 0.00 C ATOM 1266 C PRO A 81 15.179 -2.749 -0.354 1.00 0.00 C ATOM 1267 O PRO A 81 14.986 -3.960 -0.238 1.00 0.00 O ATOM 1268 CB PRO A 81 16.604 -2.153 1.642 1.00 0.00 C ATOM 1269 CG PRO A 81 16.213 -3.144 2.684 1.00 0.00 C ATOM 1270 CD PRO A 81 14.811 -2.792 3.083 1.00 0.00 C ATOM 0 HA PRO A 81 15.245 -0.832 0.513 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.365 -2.558 0.975 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.021 -1.251 2.089 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.264 -4.161 2.294 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.886 -3.096 3.540 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.237 -3.678 3.356 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.795 -2.124 3.944 1.00 0.00 H new