USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 736 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: B 26 GLN : amide:sc= 1.09 K(o=2.1,f=-2.9) USER MOD Set 1.2: B 30 LYS NZ :NH3+ 143:sc= 1.03 (180deg=0) USER MOD Set 2.1: A 26 GLN : amide:sc= 1.1 K(o=2.1,f=-2.8) USER MOD Set 2.2: A 30 LYS NZ :NH3+ 139:sc= 1.02 (180deg=0) USER MOD Single : A 19 TYR OH : rot 158:sc= 0.127 USER MOD Single : A 21 GLN : amide:sc= -3.02! C(o=-3!,f=-8.3!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 24 ASN : amide:sc= -2.61! C(o=-2.6!,f=-5!) USER MOD Single : A 32 SER OG : rot 120:sc= -2.29! USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 160:sc= -1.91 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 TYR OH : rot 158:sc= 0.122 USER MOD Single : B 21 GLN : amide:sc= -3.01! C(o=-3!,f=-8.7!) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 HIS : no HD1:sc= 0 X(o=0,f=-0.094) USER MOD Single : B 24 ASN : amide:sc= -2.6! C(o=-2.6!,f=-5!) USER MOD Single : B 32 SER OG : rot 140:sc= -2.34! USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 TYR OH : rot 158:sc= -1.87 USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 72 N CYS A 16 -13.984 13.471 9.055 1.00 0.00 N ATOM 73 CA CYS A 16 -13.706 12.141 8.445 1.00 0.00 C ATOM 74 C CYS A 16 -12.197 11.937 8.284 1.00 0.00 C ATOM 75 O CYS A 16 -11.668 10.887 8.588 1.00 0.00 O ATOM 76 CB CYS A 16 -14.390 12.181 7.078 1.00 0.00 C ATOM 77 SG CYS A 16 -14.350 10.532 6.335 1.00 0.00 S ATOM 0 HA CYS A 16 -14.073 11.320 9.061 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -15.421 12.518 7.185 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -13.886 12.897 6.428 1.00 0.00 H new ATOM 82 N GLU A 17 -11.500 12.936 7.813 1.00 0.00 N ATOM 83 CA GLU A 17 -10.027 12.799 7.635 1.00 0.00 C ATOM 84 C GLU A 17 -9.316 12.954 8.983 1.00 0.00 C ATOM 85 O GLU A 17 -8.218 12.470 9.177 1.00 0.00 O ATOM 86 CB GLU A 17 -9.635 13.935 6.689 1.00 0.00 C ATOM 87 CG GLU A 17 -8.181 13.759 6.253 1.00 0.00 C ATOM 88 CD GLU A 17 -7.623 15.103 5.783 1.00 0.00 C ATOM 89 OE1 GLU A 17 -8.316 15.787 5.048 1.00 0.00 O ATOM 90 OE2 GLU A 17 -6.511 15.427 6.167 1.00 0.00 O ATOM 0 H GLU A 17 -11.887 13.840 7.544 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.747 11.823 7.238 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.289 13.938 5.817 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.762 14.897 7.186 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.586 13.376 7.082 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.118 13.026 5.449 1.00 0.00 H new ATOM 97 N LEU A 18 -9.936 13.623 9.916 1.00 0.00 N ATOM 98 CA LEU A 18 -9.298 13.807 11.253 1.00 0.00 C ATOM 99 C LEU A 18 -9.684 12.662 12.196 1.00 0.00 C ATOM 100 O LEU A 18 -9.144 12.531 13.278 1.00 0.00 O ATOM 101 CB LEU A 18 -9.850 15.136 11.771 1.00 0.00 C ATOM 102 CG LEU A 18 -8.817 15.802 12.679 1.00 0.00 C ATOM 103 CD1 LEU A 18 -7.995 16.808 11.869 1.00 0.00 C ATOM 104 CD2 LEU A 18 -9.532 16.531 13.820 1.00 0.00 C ATOM 0 H LEU A 18 -10.856 14.050 9.812 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.210 13.808 11.192 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.090 15.792 10.934 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.776 14.967 12.320 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.155 15.041 13.092 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.259 17.282 12.518 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.484 16.290 11.057 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.657 17.569 11.454 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.794 17.006 14.467 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.195 17.291 13.407 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.116 15.816 14.399 1.00 0.00 H new ATOM 116 N TYR A 19 -10.615 11.832 11.803 1.00 0.00 N ATOM 117 CA TYR A 19 -11.031 10.703 12.683 1.00 0.00 C ATOM 118 C TYR A 19 -9.827 9.827 13.040 1.00 0.00 C ATOM 119 O TYR A 19 -9.334 9.850 14.151 1.00 0.00 O ATOM 120 CB TYR A 19 -12.048 9.914 11.855 1.00 0.00 C ATOM 121 CG TYR A 19 -12.485 8.687 12.619 1.00 0.00 C ATOM 122 CD1 TYR A 19 -13.086 8.826 13.890 1.00 0.00 C ATOM 123 CD2 TYR A 19 -12.296 7.403 12.062 1.00 0.00 C ATOM 124 CE1 TYR A 19 -13.498 7.678 14.605 1.00 0.00 C ATOM 125 CE2 TYR A 19 -12.707 6.256 12.779 1.00 0.00 C ATOM 126 CZ TYR A 19 -13.308 6.395 14.049 1.00 0.00 C ATOM 127 OH TYR A 19 -13.713 5.274 14.747 1.00 0.00 O ATOM 0 H TYR A 19 -11.105 11.888 10.910 1.00 0.00 H new ATOM 0 HA TYR A 19 -11.452 11.050 13.627 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -12.911 10.540 11.629 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -11.607 9.623 10.902 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -13.231 9.808 14.315 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -11.838 7.297 11.090 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -13.958 7.783 15.576 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -12.561 5.273 12.355 1.00 0.00 H new ATOM 0 HH TYR A 19 -13.849 4.531 14.122 1.00 0.00 H new ATOM 137 N VAL A 20 -9.352 9.049 12.108 1.00 0.00 N ATOM 138 CA VAL A 20 -8.185 8.164 12.391 1.00 0.00 C ATOM 139 C VAL A 20 -6.951 8.995 12.756 1.00 0.00 C ATOM 140 O VAL A 20 -6.007 8.496 13.336 1.00 0.00 O ATOM 141 CB VAL A 20 -7.945 7.394 11.093 1.00 0.00 C ATOM 142 CG1 VAL A 20 -9.153 6.504 10.796 1.00 0.00 C ATOM 143 CG2 VAL A 20 -7.744 8.382 9.942 1.00 0.00 C ATOM 0 H VAL A 20 -9.722 8.987 11.159 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.375 7.499 13.234 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.055 6.774 11.199 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.982 5.955 9.870 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.296 5.799 11.615 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.044 7.123 10.691 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.573 7.832 9.016 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -8.633 9.003 9.836 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.882 9.015 10.152 1.00 0.00 H new ATOM 153 N GLN A 21 -6.948 10.257 12.422 1.00 0.00 N ATOM 154 CA GLN A 21 -5.769 11.108 12.754 1.00 0.00 C ATOM 155 C GLN A 21 -5.481 11.053 14.257 1.00 0.00 C ATOM 156 O GLN A 21 -4.389 11.351 14.699 1.00 0.00 O ATOM 157 CB GLN A 21 -6.168 12.523 12.333 1.00 0.00 C ATOM 158 CG GLN A 21 -4.910 13.385 12.193 1.00 0.00 C ATOM 159 CD GLN A 21 -5.269 14.704 11.507 1.00 0.00 C ATOM 160 OE1 GLN A 21 -6.180 14.758 10.704 1.00 0.00 O ATOM 161 NE2 GLN A 21 -4.587 15.779 11.791 1.00 0.00 N ATOM 0 H GLN A 21 -7.707 10.734 11.936 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.864 10.774 12.247 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.710 12.494 11.388 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.840 12.958 13.072 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.478 13.579 13.175 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -4.155 12.854 11.612 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.822 15.735 12.465 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -4.818 16.664 11.339 1.00 0.00 H new ATOM 170 N LYS A 22 -6.450 10.676 15.046 1.00 0.00 N ATOM 171 CA LYS A 22 -6.227 10.606 16.518 1.00 0.00 C ATOM 172 C LYS A 22 -5.535 9.292 16.891 1.00 0.00 C ATOM 173 O LYS A 22 -4.603 9.269 17.670 1.00 0.00 O ATOM 174 CB LYS A 22 -7.625 10.664 17.134 1.00 0.00 C ATOM 175 CG LYS A 22 -8.078 12.120 17.237 1.00 0.00 C ATOM 176 CD LYS A 22 -9.574 12.169 17.556 1.00 0.00 C ATOM 177 CE LYS A 22 -10.169 13.472 17.019 1.00 0.00 C ATOM 178 NZ LYS A 22 -11.614 13.410 17.377 1.00 0.00 N ATOM 0 H LYS A 22 -7.385 10.414 14.735 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.588 11.414 16.874 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.327 10.096 16.523 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.618 10.204 18.122 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.513 12.633 18.015 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.878 12.641 16.301 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.080 11.314 17.108 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.729 12.103 18.633 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.688 14.341 17.468 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.032 13.554 15.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.092 14.271 17.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.047 12.577 16.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.713 13.339 18.410 1.00 0.00 H new ATOM 192 N HIS A 23 -5.985 8.195 16.343 1.00 0.00 N ATOM 193 CA HIS A 23 -5.353 6.886 16.673 1.00 0.00 C ATOM 194 C HIS A 23 -5.872 5.792 15.736 1.00 0.00 C ATOM 195 O HIS A 23 -6.840 5.119 16.028 1.00 0.00 O ATOM 196 CB HIS A 23 -5.780 6.600 18.113 1.00 0.00 C ATOM 197 CG HIS A 23 -5.150 5.318 18.581 1.00 0.00 C ATOM 198 ND1 HIS A 23 -5.871 4.139 18.699 1.00 0.00 N ATOM 199 CD2 HIS A 23 -3.868 5.012 18.966 1.00 0.00 C ATOM 200 CE1 HIS A 23 -5.027 3.189 19.139 1.00 0.00 C ATOM 201 NE2 HIS A 23 -3.793 3.667 19.317 1.00 0.00 N ATOM 0 H HIS A 23 -6.761 8.149 15.683 1.00 0.00 H new ATOM 0 HA HIS A 23 -4.269 6.910 16.560 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -5.480 7.423 18.762 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.866 6.526 18.173 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -3.043 5.709 18.992 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -5.312 2.164 19.326 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -2.972 3.156 19.641 1.00 0.00 H new ATOM 209 N ASN A 24 -5.236 5.608 14.611 1.00 0.00 N ATOM 210 CA ASN A 24 -5.696 4.558 13.658 1.00 0.00 C ATOM 211 C ASN A 24 -4.641 4.324 12.575 1.00 0.00 C ATOM 212 O ASN A 24 -3.902 3.360 12.610 1.00 0.00 O ATOM 213 CB ASN A 24 -6.977 5.117 13.041 1.00 0.00 C ATOM 214 CG ASN A 24 -8.191 4.564 13.789 1.00 0.00 C ATOM 215 OD1 ASN A 24 -9.076 5.306 14.169 1.00 0.00 O ATOM 216 ND2 ASN A 24 -8.273 3.282 14.019 1.00 0.00 N ATOM 0 H ASN A 24 -4.418 6.139 14.311 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.863 3.600 14.151 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.972 6.206 13.091 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.033 4.847 11.987 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -9.079 2.904 14.517 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.531 2.658 13.701 1.00 0.00 H new ATOM 223 N ILE A 25 -4.568 5.199 11.612 1.00 0.00 N ATOM 224 CA ILE A 25 -3.563 5.030 10.523 1.00 0.00 C ATOM 225 C ILE A 25 -2.211 5.605 10.954 1.00 0.00 C ATOM 226 O ILE A 25 -1.171 5.192 10.481 1.00 0.00 O ATOM 227 CB ILE A 25 -4.125 5.817 9.336 1.00 0.00 C ATOM 228 CG1 ILE A 25 -5.546 5.335 9.024 1.00 0.00 C ATOM 229 CG2 ILE A 25 -3.236 5.595 8.114 1.00 0.00 C ATOM 230 CD1 ILE A 25 -5.528 3.833 8.732 1.00 0.00 C ATOM 0 H ILE A 25 -5.161 6.025 11.531 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.398 3.981 10.276 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.149 6.878 9.585 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.205 5.544 9.867 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.944 5.877 8.167 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.634 6.155 7.268 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.225 5.939 8.332 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.213 4.533 7.869 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.540 3.493 8.511 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.884 3.637 7.875 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.148 3.298 9.602 1.00 0.00 H new ATOM 242 N GLN A 26 -2.218 6.555 11.847 1.00 0.00 N ATOM 243 CA GLN A 26 -0.933 7.157 12.307 1.00 0.00 C ATOM 244 C GLN A 26 -0.052 6.088 12.961 1.00 0.00 C ATOM 245 O GLN A 26 1.159 6.187 12.969 1.00 0.00 O ATOM 246 CB GLN A 26 -1.332 8.219 13.333 1.00 0.00 C ATOM 247 CG GLN A 26 -0.514 9.490 13.096 1.00 0.00 C ATOM 248 CD GLN A 26 -0.320 10.226 14.422 1.00 0.00 C ATOM 249 OE1 GLN A 26 0.763 10.233 14.973 1.00 0.00 O ATOM 250 NE2 GLN A 26 -1.331 10.850 14.962 1.00 0.00 N ATOM 0 H GLN A 26 -3.057 6.941 12.279 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.361 7.582 11.482 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.397 8.438 13.250 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.161 7.847 14.343 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.454 9.237 12.663 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.024 10.135 12.381 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.240 10.844 14.499 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.212 11.344 15.847 1.00 0.00 H new ATOM 259 N ALA A 27 -0.650 5.064 13.509 1.00 0.00 N ATOM 260 CA ALA A 27 0.156 3.994 14.163 1.00 0.00 C ATOM 261 C ALA A 27 1.223 3.470 13.198 1.00 0.00 C ATOM 262 O ALA A 27 2.397 3.752 13.340 1.00 0.00 O ATOM 263 CB ALA A 27 -0.849 2.893 14.501 1.00 0.00 C ATOM 0 H ALA A 27 -1.660 4.923 13.532 1.00 0.00 H new ATOM 0 HA ALA A 27 0.680 4.354 15.049 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.332 2.066 14.987 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.611 3.289 15.172 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.321 2.538 13.585 1.00 0.00 H new ATOM 269 N LEU A 28 0.824 2.707 12.218 1.00 0.00 N ATOM 270 CA LEU A 28 1.813 2.163 11.243 1.00 0.00 C ATOM 271 C LEU A 28 2.511 3.305 10.495 1.00 0.00 C ATOM 272 O LEU A 28 3.570 3.130 9.927 1.00 0.00 O ATOM 273 CB LEU A 28 0.985 1.317 10.275 1.00 0.00 C ATOM 274 CG LEU A 28 -0.033 2.208 9.562 1.00 0.00 C ATOM 275 CD1 LEU A 28 0.329 2.318 8.080 1.00 0.00 C ATOM 276 CD2 LEU A 28 -1.430 1.599 9.702 1.00 0.00 C ATOM 0 H LEU A 28 -0.145 2.436 12.050 1.00 0.00 H new ATOM 0 HA LEU A 28 2.596 1.582 11.731 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.637 0.836 9.546 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.472 0.522 10.817 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.022 3.201 10.011 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.398 2.953 7.574 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.323 2.753 7.980 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.320 1.326 7.629 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.156 2.234 9.194 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.440 0.605 9.254 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.690 1.524 10.758 1.00 0.00 H new ATOM 288 N LEU A 29 1.921 4.471 10.487 1.00 0.00 N ATOM 289 CA LEU A 29 2.552 5.618 9.767 1.00 0.00 C ATOM 290 C LEU A 29 3.759 6.147 10.548 1.00 0.00 C ATOM 291 O LEU A 29 4.589 6.857 10.014 1.00 0.00 O ATOM 292 CB LEU A 29 1.460 6.684 9.682 1.00 0.00 C ATOM 293 CG LEU A 29 0.961 6.791 8.238 1.00 0.00 C ATOM 294 CD1 LEU A 29 0.413 5.435 7.785 1.00 0.00 C ATOM 295 CD2 LEU A 29 -0.150 7.841 8.158 1.00 0.00 C ATOM 0 H LEU A 29 1.034 4.679 10.945 1.00 0.00 H new ATOM 0 HA LEU A 29 2.919 5.329 8.782 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.634 6.427 10.345 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.849 7.646 10.016 1.00 0.00 H new ATOM 0 HG LEU A 29 1.787 7.085 7.590 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.058 5.511 6.757 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.203 4.686 7.841 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.412 5.141 8.433 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.505 7.917 7.130 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.975 7.547 8.806 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.239 8.807 8.480 1.00 0.00 H new ATOM 307 N LYS A 30 3.864 5.814 11.806 1.00 0.00 N ATOM 308 CA LYS A 30 5.018 6.306 12.612 1.00 0.00 C ATOM 309 C LYS A 30 6.295 5.549 12.238 1.00 0.00 C ATOM 310 O LYS A 30 7.253 6.124 11.762 1.00 0.00 O ATOM 311 CB LYS A 30 4.634 6.021 14.066 1.00 0.00 C ATOM 312 CG LYS A 30 3.857 7.210 14.633 1.00 0.00 C ATOM 313 CD LYS A 30 3.581 6.976 16.119 1.00 0.00 C ATOM 314 CE LYS A 30 3.437 8.322 16.832 1.00 0.00 C ATOM 315 NZ LYS A 30 1.969 8.568 16.899 1.00 0.00 N ATOM 0 H LYS A 30 3.202 5.224 12.310 1.00 0.00 H new ATOM 0 HA LYS A 30 5.218 7.364 12.439 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.028 5.117 14.122 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.530 5.842 14.661 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.428 8.129 14.498 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.918 7.336 14.093 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.671 6.389 16.242 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.394 6.402 16.564 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.878 8.290 17.828 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.945 9.115 16.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.725 8.964 17.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.695 9.241 16.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.460 7.672 16.760 1.00 0.00 H new ATOM 329 N ASP A 31 6.319 4.263 12.454 1.00 0.00 N ATOM 330 CA ASP A 31 7.537 3.468 12.117 1.00 0.00 C ATOM 331 C ASP A 31 7.742 3.415 10.600 1.00 0.00 C ATOM 332 O ASP A 31 8.854 3.461 10.112 1.00 0.00 O ATOM 333 CB ASP A 31 7.257 2.068 12.667 1.00 0.00 C ATOM 334 CG ASP A 31 7.787 1.966 14.099 1.00 0.00 C ATOM 335 OD1 ASP A 31 7.605 2.915 14.846 1.00 0.00 O ATOM 336 OD2 ASP A 31 8.365 0.942 14.426 1.00 0.00 O ATOM 0 H ASP A 31 5.547 3.726 12.850 1.00 0.00 H new ATOM 0 HA ASP A 31 8.442 3.904 12.541 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.186 1.866 12.649 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.733 1.316 12.037 1.00 0.00 H new ATOM 341 N SER A 32 6.680 3.316 9.850 1.00 0.00 N ATOM 342 CA SER A 32 6.816 3.255 8.365 1.00 0.00 C ATOM 343 C SER A 32 7.579 4.477 7.845 1.00 0.00 C ATOM 344 O SER A 32 8.648 4.360 7.281 1.00 0.00 O ATOM 345 CB SER A 32 5.385 3.255 7.836 1.00 0.00 C ATOM 346 OG SER A 32 4.765 4.491 8.165 1.00 0.00 O ATOM 0 H SER A 32 5.723 3.275 10.200 1.00 0.00 H new ATOM 0 HA SER A 32 7.373 2.376 8.041 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.384 3.110 6.756 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.824 2.427 8.269 1.00 0.00 H new ATOM 0 HG SER A 32 4.490 4.948 7.343 1.00 0.00 H new ATOM 352 N ILE A 33 7.034 5.650 8.022 1.00 0.00 N ATOM 353 CA ILE A 33 7.725 6.878 7.529 1.00 0.00 C ATOM 354 C ILE A 33 9.175 6.916 8.028 1.00 0.00 C ATOM 355 O ILE A 33 10.089 7.204 7.280 1.00 0.00 O ATOM 356 CB ILE A 33 6.921 8.045 8.112 1.00 0.00 C ATOM 357 CG1 ILE A 33 5.522 8.060 7.489 1.00 0.00 C ATOM 358 CG2 ILE A 33 7.629 9.366 7.797 1.00 0.00 C ATOM 359 CD1 ILE A 33 4.626 9.026 8.265 1.00 0.00 C ATOM 0 H ILE A 33 6.140 5.812 8.486 1.00 0.00 H new ATOM 0 HA ILE A 33 7.769 6.916 6.441 1.00 0.00 H new ATOM 0 HB ILE A 33 6.841 7.924 9.192 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.582 8.363 6.444 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.094 7.058 7.506 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.055 10.194 8.213 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.626 9.358 8.237 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.710 9.487 6.717 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.631 9.036 7.821 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.556 8.703 9.304 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.051 10.029 8.225 1.00 0.00 H new ATOM 371 N VAL A 34 9.392 6.635 9.282 1.00 0.00 N ATOM 372 CA VAL A 34 10.782 6.663 9.824 1.00 0.00 C ATOM 373 C VAL A 34 11.710 5.783 8.979 1.00 0.00 C ATOM 374 O VAL A 34 12.906 5.989 8.938 1.00 0.00 O ATOM 375 CB VAL A 34 10.665 6.111 11.245 1.00 0.00 C ATOM 376 CG1 VAL A 34 12.059 5.997 11.868 1.00 0.00 C ATOM 377 CG2 VAL A 34 9.807 7.057 12.089 1.00 0.00 C ATOM 0 H VAL A 34 8.668 6.387 9.956 1.00 0.00 H new ATOM 0 HA VAL A 34 11.206 7.667 9.808 1.00 0.00 H new ATOM 0 HB VAL A 34 10.200 5.125 11.214 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.974 5.603 12.881 1.00 0.00 H new ATOM 0 HG12 VAL A 34 12.672 5.325 11.268 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.525 6.982 11.899 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.723 6.665 13.103 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.273 8.042 12.119 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.814 7.139 11.648 1.00 0.00 H new ATOM 387 N GLN A 35 11.172 4.800 8.308 1.00 0.00 N ATOM 388 CA GLN A 35 12.035 3.911 7.477 1.00 0.00 C ATOM 389 C GLN A 35 11.771 4.144 5.987 1.00 0.00 C ATOM 390 O GLN A 35 12.666 4.064 5.168 1.00 0.00 O ATOM 391 CB GLN A 35 11.637 2.490 7.874 1.00 0.00 C ATOM 392 CG GLN A 35 12.771 1.526 7.524 1.00 0.00 C ATOM 393 CD GLN A 35 12.557 0.200 8.256 1.00 0.00 C ATOM 394 OE1 GLN A 35 11.437 -0.217 8.468 1.00 0.00 O ATOM 395 NE2 GLN A 35 13.594 -0.486 8.653 1.00 0.00 N ATOM 0 H GLN A 35 10.177 4.575 8.299 1.00 0.00 H new ATOM 0 HA GLN A 35 13.096 4.102 7.641 1.00 0.00 H new ATOM 0 HB2 GLN A 35 11.424 2.446 8.942 1.00 0.00 H new ATOM 0 HB3 GLN A 35 10.724 2.198 7.355 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.801 1.359 6.447 1.00 0.00 H new ATOM 0 HG3 GLN A 35 13.731 1.959 7.806 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.535 -0.136 8.475 1.00 0.00 H new ATOM 0 HE22 GLN A 35 13.463 -1.372 9.141 1.00 0.00 H new ATOM 404 N LEU A 36 10.549 4.424 5.629 1.00 0.00 N ATOM 405 CA LEU A 36 10.227 4.655 4.191 1.00 0.00 C ATOM 406 C LEU A 36 11.157 5.715 3.595 1.00 0.00 C ATOM 407 O LEU A 36 11.355 5.775 2.397 1.00 0.00 O ATOM 408 CB LEU A 36 8.779 5.145 4.186 1.00 0.00 C ATOM 409 CG LEU A 36 7.870 4.040 3.641 1.00 0.00 C ATOM 410 CD1 LEU A 36 8.280 3.702 2.207 1.00 0.00 C ATOM 411 CD2 LEU A 36 8.004 2.791 4.514 1.00 0.00 C ATOM 0 H LEU A 36 9.759 4.503 6.269 1.00 0.00 H new ATOM 0 HA LEU A 36 10.357 3.754 3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.472 5.418 5.196 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.689 6.041 3.572 1.00 0.00 H new ATOM 0 HG LEU A 36 6.836 4.384 3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.633 2.915 1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.185 4.590 1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.315 3.359 2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.357 2.005 4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.039 2.448 4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.712 3.029 5.537 1.00 0.00 H new ATOM 423 N CYS A 37 11.731 6.554 4.416 1.00 0.00 N ATOM 424 CA CYS A 37 12.647 7.607 3.887 1.00 0.00 C ATOM 425 C CYS A 37 13.694 6.984 2.956 1.00 0.00 C ATOM 426 O CYS A 37 13.759 7.295 1.783 1.00 0.00 O ATOM 427 CB CYS A 37 13.318 8.208 5.123 1.00 0.00 C ATOM 428 SG CYS A 37 13.782 9.925 4.783 1.00 0.00 S ATOM 0 H CYS A 37 11.606 6.556 5.428 1.00 0.00 H new ATOM 0 HA CYS A 37 12.115 8.360 3.305 1.00 0.00 H new ATOM 0 HB2 CYS A 37 12.640 8.165 5.975 1.00 0.00 H new ATOM 0 HB3 CYS A 37 14.201 7.627 5.389 1.00 0.00 H new ATOM 433 N THR A 38 14.509 6.102 3.468 1.00 0.00 N ATOM 434 CA THR A 38 15.544 5.457 2.611 1.00 0.00 C ATOM 435 C THR A 38 14.994 4.173 1.975 1.00 0.00 C ATOM 436 O THR A 38 15.616 3.582 1.116 1.00 0.00 O ATOM 437 CB THR A 38 16.698 5.131 3.560 1.00 0.00 C ATOM 438 OG1 THR A 38 17.188 6.333 4.137 1.00 0.00 O ATOM 439 CG2 THR A 38 17.821 4.443 2.780 1.00 0.00 C ATOM 0 H THR A 38 14.503 5.800 4.442 1.00 0.00 H new ATOM 0 HA THR A 38 15.857 6.104 1.792 1.00 0.00 H new ATOM 0 HB THR A 38 16.345 4.467 4.349 1.00 0.00 H new ATOM 0 HG1 THR A 38 17.927 6.126 4.747 1.00 0.00 H new ATOM 0 HG21 THR A 38 18.644 4.210 3.456 1.00 0.00 H new ATOM 0 HG22 THR A 38 17.444 3.521 2.336 1.00 0.00 H new ATOM 0 HG23 THR A 38 18.176 5.107 1.991 1.00 0.00 H new ATOM 447 N ALA A 39 13.836 3.731 2.393 1.00 0.00 N ATOM 448 CA ALA A 39 13.261 2.483 1.813 1.00 0.00 C ATOM 449 C ALA A 39 12.962 2.673 0.323 1.00 0.00 C ATOM 450 O ALA A 39 12.610 3.751 -0.119 1.00 0.00 O ATOM 451 CB ALA A 39 11.966 2.246 2.589 1.00 0.00 C ATOM 0 H ALA A 39 13.266 4.180 3.109 1.00 0.00 H new ATOM 0 HA ALA A 39 13.948 1.641 1.893 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.481 1.342 2.220 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.193 2.129 3.649 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.299 3.097 2.452 1.00 0.00 H new ATOM 457 N ARG A 40 13.093 1.631 -0.451 1.00 0.00 N ATOM 458 CA ARG A 40 12.813 1.741 -1.911 1.00 0.00 C ATOM 459 C ARG A 40 11.960 0.548 -2.367 1.00 0.00 C ATOM 460 O ARG A 40 12.351 -0.192 -3.246 1.00 0.00 O ATOM 461 CB ARG A 40 14.185 1.708 -2.583 1.00 0.00 C ATOM 462 CG ARG A 40 14.831 3.091 -2.488 1.00 0.00 C ATOM 463 CD ARG A 40 15.562 3.405 -3.797 1.00 0.00 C ATOM 464 NE ARG A 40 16.780 2.550 -3.770 1.00 0.00 N ATOM 465 CZ ARG A 40 17.571 2.509 -4.807 1.00 0.00 C ATOM 466 NH1 ARG A 40 18.162 3.597 -5.218 1.00 0.00 N ATOM 467 NH2 ARG A 40 17.769 1.381 -5.432 1.00 0.00 N ATOM 0 H ARG A 40 13.383 0.706 -0.135 1.00 0.00 H new ATOM 0 HA ARG A 40 12.262 2.647 -2.163 1.00 0.00 H new ATOM 0 HB2 ARG A 40 14.820 0.964 -2.102 1.00 0.00 H new ATOM 0 HB3 ARG A 40 14.084 1.413 -3.627 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.070 3.847 -2.294 1.00 0.00 H new ATOM 0 HG3 ARG A 40 15.530 3.121 -1.652 1.00 0.00 H new ATOM 0 HD2 ARG A 40 14.939 3.178 -4.662 1.00 0.00 H new ATOM 0 HD3 ARG A 40 15.822 4.462 -3.861 1.00 0.00 H new ATOM 0 HE ARG A 40 16.996 1.996 -2.941 1.00 0.00 H new ATOM 0 HH11 ARG A 40 18.006 4.478 -4.729 1.00 0.00 H new ATOM 0 HH12 ARG A 40 18.781 3.566 -6.028 1.00 0.00 H new ATOM 0 HH21 ARG A 40 17.305 0.531 -5.110 1.00 0.00 H new ATOM 0 HH22 ARG A 40 18.387 1.349 -6.243 1.00 0.00 H new ATOM 481 N PRO A 41 10.815 0.400 -1.743 1.00 0.00 N ATOM 482 CA PRO A 41 9.903 -0.722 -2.085 1.00 0.00 C ATOM 483 C PRO A 41 9.257 -0.500 -3.455 1.00 0.00 C ATOM 484 O PRO A 41 8.570 0.478 -3.677 1.00 0.00 O ATOM 485 CB PRO A 41 8.849 -0.678 -0.981 1.00 0.00 C ATOM 486 CG PRO A 41 8.859 0.736 -0.496 1.00 0.00 C ATOM 487 CD PRO A 41 10.265 1.245 -0.672 1.00 0.00 C ATOM 0 HA PRO A 41 10.418 -1.681 -2.145 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.867 -0.958 -1.361 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.090 -1.373 -0.177 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.154 1.344 -1.062 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.557 0.788 0.550 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.277 2.299 -0.949 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.842 1.151 0.248 1.00 0.00 H new ATOM 495 N GLU A 42 9.463 -1.404 -4.374 1.00 0.00 N ATOM 496 CA GLU A 42 8.850 -1.246 -5.721 1.00 0.00 C ATOM 497 C GLU A 42 7.327 -1.191 -5.587 1.00 0.00 C ATOM 498 O GLU A 42 6.691 -0.232 -5.982 1.00 0.00 O ATOM 499 CB GLU A 42 9.284 -2.492 -6.500 1.00 0.00 C ATOM 500 CG GLU A 42 8.538 -2.558 -7.835 1.00 0.00 C ATOM 501 CD GLU A 42 9.471 -3.104 -8.918 1.00 0.00 C ATOM 502 OE1 GLU A 42 10.339 -3.892 -8.581 1.00 0.00 O ATOM 503 OE2 GLU A 42 9.301 -2.725 -10.065 1.00 0.00 O ATOM 0 H GLU A 42 10.029 -2.244 -4.249 1.00 0.00 H new ATOM 0 HA GLU A 42 9.161 -0.330 -6.223 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.359 -2.466 -6.675 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.079 -3.388 -5.914 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.660 -3.197 -7.741 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.182 -1.566 -8.114 1.00 0.00 H new ATOM 510 N ARG A 43 6.738 -2.210 -5.025 1.00 0.00 N ATOM 511 CA ARG A 43 5.257 -2.222 -4.854 1.00 0.00 C ATOM 512 C ARG A 43 4.904 -2.089 -3.369 1.00 0.00 C ATOM 513 O ARG A 43 4.909 -3.063 -2.645 1.00 0.00 O ATOM 514 CB ARG A 43 4.807 -3.580 -5.396 1.00 0.00 C ATOM 515 CG ARG A 43 3.520 -3.404 -6.205 1.00 0.00 C ATOM 516 CD ARG A 43 3.816 -3.630 -7.690 1.00 0.00 C ATOM 517 NE ARG A 43 2.478 -3.731 -8.336 1.00 0.00 N ATOM 518 CZ ARG A 43 2.296 -4.550 -9.337 1.00 0.00 C ATOM 519 NH1 ARG A 43 2.208 -5.833 -9.119 1.00 0.00 N ATOM 520 NH2 ARG A 43 2.205 -4.086 -10.552 1.00 0.00 N ATOM 0 H ARG A 43 7.220 -3.038 -4.675 1.00 0.00 H new ATOM 0 HA ARG A 43 4.769 -1.398 -5.374 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.588 -4.010 -6.023 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.640 -4.275 -4.573 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.763 -4.110 -5.863 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.115 -2.403 -6.052 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.395 -2.806 -8.107 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.398 -4.539 -7.843 1.00 0.00 H new ATOM 0 HE ARG A 43 1.704 -3.160 -7.997 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.281 -6.195 -8.168 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.066 -6.474 -9.899 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.276 -3.083 -10.721 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.063 -4.726 -11.333 1.00 0.00 H new ATOM 534 N PRO A 44 4.607 -0.879 -2.958 1.00 0.00 N ATOM 535 CA PRO A 44 4.253 -0.628 -1.540 1.00 0.00 C ATOM 536 C PRO A 44 2.868 -1.202 -1.221 1.00 0.00 C ATOM 537 O PRO A 44 2.519 -1.394 -0.072 1.00 0.00 O ATOM 538 CB PRO A 44 4.253 0.895 -1.432 1.00 0.00 C ATOM 539 CG PRO A 44 3.995 1.380 -2.822 1.00 0.00 C ATOM 540 CD PRO A 44 4.571 0.352 -3.760 1.00 0.00 C ATOM 0 HA PRO A 44 4.942 -1.098 -0.838 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.483 1.242 -0.743 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.207 1.264 -1.056 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.926 1.504 -2.995 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.459 2.353 -2.984 1.00 0.00 H new ATOM 0 HD2 PRO A 44 3.952 0.231 -4.649 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.567 0.636 -4.101 1.00 0.00 H new ATOM 548 N MET A 45 2.079 -1.479 -2.223 1.00 0.00 N ATOM 549 CA MET A 45 0.723 -2.044 -1.965 1.00 0.00 C ATOM 550 C MET A 45 0.842 -3.358 -1.186 1.00 0.00 C ATOM 551 O MET A 45 0.414 -3.459 -0.055 1.00 0.00 O ATOM 552 CB MET A 45 0.127 -2.293 -3.351 1.00 0.00 C ATOM 553 CG MET A 45 -0.414 -0.977 -3.915 1.00 0.00 C ATOM 554 SD MET A 45 -0.424 -1.057 -5.724 1.00 0.00 S ATOM 555 CE MET A 45 0.321 0.565 -6.024 1.00 0.00 C ATOM 0 H MET A 45 2.313 -1.339 -3.206 1.00 0.00 H new ATOM 0 HA MET A 45 0.101 -1.375 -1.370 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.886 -2.702 -4.017 1.00 0.00 H new ATOM 0 HB3 MET A 45 -0.673 -3.031 -3.288 1.00 0.00 H new ATOM 0 HG2 MET A 45 -1.422 -0.796 -3.542 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.204 -0.144 -3.580 1.00 0.00 H new ATOM 0 HE1 MET A 45 0.412 0.731 -7.097 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.309 1.341 -5.590 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.309 0.602 -5.566 1.00 0.00 H new ATOM 565 N ALA A 46 1.425 -4.362 -1.784 1.00 0.00 N ATOM 566 CA ALA A 46 1.574 -5.665 -1.072 1.00 0.00 C ATOM 567 C ALA A 46 2.619 -5.534 0.038 1.00 0.00 C ATOM 568 O ALA A 46 2.595 -6.258 1.017 1.00 0.00 O ATOM 569 CB ALA A 46 2.046 -6.648 -2.143 1.00 0.00 C ATOM 0 H ALA A 46 1.803 -4.337 -2.731 1.00 0.00 H new ATOM 0 HA ALA A 46 0.647 -5.993 -0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.180 -7.634 -1.698 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.302 -6.706 -2.937 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.994 -6.306 -2.559 1.00 0.00 H new ATOM 575 N PHE A 47 3.536 -4.616 -0.103 1.00 0.00 N ATOM 576 CA PHE A 47 4.579 -4.436 0.944 1.00 0.00 C ATOM 577 C PHE A 47 3.919 -4.203 2.306 1.00 0.00 C ATOM 578 O PHE A 47 4.428 -4.605 3.332 1.00 0.00 O ATOM 579 CB PHE A 47 5.370 -3.203 0.509 1.00 0.00 C ATOM 580 CG PHE A 47 6.567 -3.027 1.414 1.00 0.00 C ATOM 581 CD1 PHE A 47 7.651 -3.928 1.332 1.00 0.00 C ATOM 582 CD2 PHE A 47 6.599 -1.964 2.343 1.00 0.00 C ATOM 583 CE1 PHE A 47 8.769 -3.765 2.179 1.00 0.00 C ATOM 584 CE2 PHE A 47 7.719 -1.801 3.191 1.00 0.00 C ATOM 585 CZ PHE A 47 8.804 -2.701 3.109 1.00 0.00 C ATOM 0 H PHE A 47 3.607 -3.983 -0.899 1.00 0.00 H new ATOM 0 HA PHE A 47 5.220 -5.311 1.047 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.696 -3.313 -0.525 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.736 -2.318 0.551 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.625 -4.741 0.622 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.769 -1.276 2.406 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.598 -4.454 2.116 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.744 -0.988 3.901 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.660 -2.577 3.756 1.00 0.00 H new ATOM 595 N LEU A 48 2.783 -3.557 2.319 1.00 0.00 N ATOM 596 CA LEU A 48 2.085 -3.302 3.611 1.00 0.00 C ATOM 597 C LEU A 48 1.816 -4.631 4.329 1.00 0.00 C ATOM 598 O LEU A 48 2.033 -4.761 5.518 1.00 0.00 O ATOM 599 CB LEU A 48 0.774 -2.613 3.220 1.00 0.00 C ATOM 600 CG LEU A 48 -0.150 -2.516 4.439 1.00 0.00 C ATOM 601 CD1 LEU A 48 -0.978 -1.233 4.359 1.00 0.00 C ATOM 602 CD2 LEU A 48 -1.085 -3.726 4.460 1.00 0.00 C ATOM 0 H LEU A 48 2.309 -3.196 1.491 1.00 0.00 H new ATOM 0 HA LEU A 48 2.673 -2.689 4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.980 -1.617 2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.283 -3.173 2.424 1.00 0.00 H new ATOM 0 HG LEU A 48 0.450 -2.499 5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.633 -1.168 5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.312 -0.370 4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.580 -1.244 3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.744 -3.661 5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.683 -3.740 3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.495 -4.641 4.521 1.00 0.00 H new ATOM 614 N ARG A 49 1.351 -5.617 3.617 1.00 0.00 N ATOM 615 CA ARG A 49 1.078 -6.931 4.263 1.00 0.00 C ATOM 616 C ARG A 49 2.360 -7.465 4.910 1.00 0.00 C ATOM 617 O ARG A 49 2.368 -7.867 6.057 1.00 0.00 O ATOM 618 CB ARG A 49 0.627 -7.850 3.127 1.00 0.00 C ATOM 619 CG ARG A 49 0.267 -9.225 3.693 1.00 0.00 C ATOM 620 CD ARG A 49 0.042 -10.208 2.542 1.00 0.00 C ATOM 621 NE ARG A 49 1.405 -10.666 2.156 1.00 0.00 N ATOM 622 CZ ARG A 49 1.553 -11.760 1.460 1.00 0.00 C ATOM 623 NH1 ARG A 49 0.713 -12.045 0.504 1.00 0.00 N ATOM 624 NH2 ARG A 49 2.541 -12.571 1.725 1.00 0.00 N ATOM 0 H ARG A 49 1.148 -5.571 2.618 1.00 0.00 H new ATOM 0 HA ARG A 49 0.324 -6.861 5.047 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.234 -7.419 2.617 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.421 -7.947 2.387 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.067 -9.584 4.341 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.632 -9.154 4.306 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.582 -11.045 2.854 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.465 -9.727 1.705 1.00 0.00 H new ATOM 0 HE ARG A 49 2.223 -10.125 2.436 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.061 -11.413 0.300 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.830 -12.900 -0.039 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.196 -12.349 2.475 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.658 -13.427 1.182 1.00 0.00 H new ATOM 638 N GLU A 50 3.444 -7.466 4.183 1.00 0.00 N ATOM 639 CA GLU A 50 4.728 -7.972 4.756 1.00 0.00 C ATOM 640 C GLU A 50 5.405 -6.899 5.620 1.00 0.00 C ATOM 641 O GLU A 50 6.488 -7.099 6.129 1.00 0.00 O ATOM 642 CB GLU A 50 5.596 -8.301 3.540 1.00 0.00 C ATOM 643 CG GLU A 50 4.872 -9.310 2.648 1.00 0.00 C ATOM 644 CD GLU A 50 5.898 -10.116 1.849 1.00 0.00 C ATOM 645 OE1 GLU A 50 6.994 -10.303 2.351 1.00 0.00 O ATOM 646 OE2 GLU A 50 5.570 -10.532 0.751 1.00 0.00 O ATOM 0 H GLU A 50 3.498 -7.139 3.218 1.00 0.00 H new ATOM 0 HA GLU A 50 4.571 -8.836 5.402 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.811 -7.392 2.978 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.553 -8.709 3.864 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.264 -9.979 3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.194 -8.791 1.970 1.00 0.00 H new ATOM 653 N TYR A 51 4.784 -5.761 5.787 1.00 0.00 N ATOM 654 CA TYR A 51 5.407 -4.689 6.619 1.00 0.00 C ATOM 655 C TYR A 51 5.058 -4.899 8.100 1.00 0.00 C ATOM 656 O TYR A 51 5.912 -5.202 8.909 1.00 0.00 O ATOM 657 CB TYR A 51 4.808 -3.380 6.077 1.00 0.00 C ATOM 658 CG TYR A 51 5.043 -2.244 7.050 1.00 0.00 C ATOM 659 CD1 TYR A 51 6.310 -1.619 7.120 1.00 0.00 C ATOM 660 CD2 TYR A 51 3.993 -1.810 7.889 1.00 0.00 C ATOM 661 CE1 TYR A 51 6.523 -0.559 8.030 1.00 0.00 C ATOM 662 CE2 TYR A 51 4.208 -0.751 8.799 1.00 0.00 C ATOM 663 CZ TYR A 51 5.473 -0.126 8.869 1.00 0.00 C ATOM 664 OH TYR A 51 5.681 0.909 9.759 1.00 0.00 O ATOM 0 H TYR A 51 3.876 -5.528 5.385 1.00 0.00 H new ATOM 0 HA TYR A 51 6.495 -4.685 6.561 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.257 -3.140 5.113 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.739 -3.506 5.908 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.113 -1.951 6.479 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.026 -2.288 7.835 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.489 -0.080 8.084 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.405 -0.419 9.441 1.00 0.00 H new ATOM 0 HH TYR A 51 4.818 1.294 10.021 1.00 0.00 H new ATOM 674 N PHE A 52 3.817 -4.730 8.459 1.00 0.00 N ATOM 675 CA PHE A 52 3.424 -4.912 9.886 1.00 0.00 C ATOM 676 C PHE A 52 3.352 -6.399 10.243 1.00 0.00 C ATOM 677 O PHE A 52 3.552 -6.784 11.377 1.00 0.00 O ATOM 678 CB PHE A 52 2.047 -4.263 10.004 1.00 0.00 C ATOM 679 CG PHE A 52 1.979 -3.440 11.269 1.00 0.00 C ATOM 680 CD1 PHE A 52 2.028 -4.075 12.530 1.00 0.00 C ATOM 681 CD2 PHE A 52 1.864 -2.034 11.188 1.00 0.00 C ATOM 682 CE1 PHE A 52 1.962 -3.301 13.712 1.00 0.00 C ATOM 683 CE2 PHE A 52 1.798 -1.261 12.369 1.00 0.00 C ATOM 684 CZ PHE A 52 1.847 -1.895 13.631 1.00 0.00 C ATOM 0 H PHE A 52 3.058 -4.474 7.828 1.00 0.00 H new ATOM 0 HA PHE A 52 4.147 -4.464 10.568 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.857 -3.631 9.137 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.273 -5.030 10.016 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.116 -5.150 12.591 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.827 -1.550 10.223 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.000 -3.785 14.677 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.710 -0.186 12.307 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.797 -1.305 14.534 1.00 0.00 H new ATOM 694 N GLU A 53 3.063 -7.241 9.287 1.00 0.00 N ATOM 695 CA GLU A 53 2.978 -8.700 9.586 1.00 0.00 C ATOM 696 C GLU A 53 4.321 -9.211 10.118 1.00 0.00 C ATOM 697 O GLU A 53 4.372 -10.050 10.994 1.00 0.00 O ATOM 698 CB GLU A 53 2.647 -9.362 8.248 1.00 0.00 C ATOM 699 CG GLU A 53 2.567 -10.880 8.433 1.00 0.00 C ATOM 700 CD GLU A 53 3.840 -11.527 7.887 1.00 0.00 C ATOM 701 OE1 GLU A 53 4.893 -10.930 8.027 1.00 0.00 O ATOM 702 OE2 GLU A 53 3.740 -12.613 7.337 1.00 0.00 O ATOM 0 H GLU A 53 2.883 -6.983 8.317 1.00 0.00 H new ATOM 0 HA GLU A 53 2.229 -8.921 10.347 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.699 -8.981 7.867 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.410 -9.115 7.510 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.447 -11.123 9.489 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.694 -11.275 7.914 1.00 0.00 H new ATOM 709 N LYS A 54 5.408 -8.712 9.594 1.00 0.00 N ATOM 710 CA LYS A 54 6.745 -9.172 10.066 1.00 0.00 C ATOM 711 C LYS A 54 7.234 -8.300 11.227 1.00 0.00 C ATOM 712 O LYS A 54 8.105 -8.686 11.981 1.00 0.00 O ATOM 713 CB LYS A 54 7.664 -9.015 8.855 1.00 0.00 C ATOM 714 CG LYS A 54 8.850 -9.972 8.987 1.00 0.00 C ATOM 715 CD LYS A 54 8.675 -11.139 8.014 1.00 0.00 C ATOM 716 CE LYS A 54 9.737 -11.053 6.915 1.00 0.00 C ATOM 717 NZ LYS A 54 10.131 -12.463 6.648 1.00 0.00 N ATOM 0 H LYS A 54 5.427 -8.005 8.859 1.00 0.00 H new ATOM 0 HA LYS A 54 6.720 -10.198 10.434 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.114 -9.225 7.938 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.019 -7.987 8.785 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.781 -9.446 8.776 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.919 -10.344 10.009 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.763 -12.086 8.546 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.678 -11.113 7.574 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.339 -10.578 6.018 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.592 -10.459 7.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.857 -12.486 5.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.512 -12.887 7.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.299 -13.003 6.336 1.00 0.00 H new ATOM 731 N LEU A 55 6.682 -7.125 11.377 1.00 0.00 N ATOM 732 CA LEU A 55 7.123 -6.233 12.488 1.00 0.00 C ATOM 733 C LEU A 55 6.377 -6.581 13.779 1.00 0.00 C ATOM 734 O LEU A 55 6.956 -6.638 14.845 1.00 0.00 O ATOM 735 CB LEU A 55 6.765 -4.819 12.031 1.00 0.00 C ATOM 736 CG LEU A 55 8.016 -3.937 12.073 1.00 0.00 C ATOM 737 CD1 LEU A 55 7.845 -2.760 11.111 1.00 0.00 C ATOM 738 CD2 LEU A 55 8.218 -3.405 13.496 1.00 0.00 C ATOM 0 H LEU A 55 5.947 -6.746 10.780 1.00 0.00 H new ATOM 0 HA LEU A 55 8.187 -6.337 12.698 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.358 -4.844 11.020 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.991 -4.402 12.675 1.00 0.00 H new ATOM 0 HG LEU A 55 8.884 -4.526 11.777 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.736 -2.133 11.142 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.700 -3.136 10.098 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.977 -2.171 11.407 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.108 -2.777 13.527 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.349 -2.817 13.791 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.340 -4.242 14.183 1.00 0.00 H new ATOM 750 N GLU A 56 5.096 -6.819 13.692 1.00 0.00 N ATOM 751 CA GLU A 56 4.316 -7.163 14.915 1.00 0.00 C ATOM 752 C GLU A 56 4.980 -8.324 15.658 1.00 0.00 C ATOM 753 O GLU A 56 4.916 -8.420 16.869 1.00 0.00 O ATOM 754 CB GLU A 56 2.937 -7.577 14.401 1.00 0.00 C ATOM 755 CG GLU A 56 3.076 -8.797 13.489 1.00 0.00 C ATOM 756 CD GLU A 56 1.705 -9.180 12.934 1.00 0.00 C ATOM 757 OE1 GLU A 56 0.912 -8.282 12.695 1.00 0.00 O ATOM 758 OE2 GLU A 56 1.468 -10.363 12.755 1.00 0.00 O ATOM 0 H GLU A 56 4.556 -6.790 12.827 1.00 0.00 H new ATOM 0 HA GLU A 56 4.258 -6.329 15.615 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.280 -7.809 15.239 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.478 -6.752 13.855 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.762 -8.576 12.671 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.501 -9.633 14.045 1.00 0.00 H new ATOM 765 N LYS A 57 5.620 -9.206 14.941 1.00 0.00 N ATOM 766 CA LYS A 57 6.291 -10.362 15.602 1.00 0.00 C ATOM 767 C LYS A 57 7.737 -10.009 15.972 1.00 0.00 C ATOM 768 O LYS A 57 8.391 -10.725 16.703 1.00 0.00 O ATOM 769 CB LYS A 57 6.259 -11.486 14.565 1.00 0.00 C ATOM 770 CG LYS A 57 7.028 -11.058 13.313 1.00 0.00 C ATOM 771 CD LYS A 57 7.429 -12.298 12.510 1.00 0.00 C ATOM 772 CE LYS A 57 8.941 -12.287 12.272 1.00 0.00 C ATOM 773 NZ LYS A 57 9.462 -13.438 13.059 1.00 0.00 N ATOM 0 H LYS A 57 5.708 -9.177 13.925 1.00 0.00 H new ATOM 0 HA LYS A 57 5.794 -10.647 16.529 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.700 -12.391 14.982 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.228 -11.725 14.306 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.411 -10.400 12.702 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.916 -10.492 13.595 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.142 -13.201 13.048 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.900 -12.313 11.557 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.175 -12.395 11.213 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.386 -11.349 12.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.494 -13.497 12.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.230 -13.305 14.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.026 -14.318 12.717 1.00 0.00 H new ATOM 787 N GLU A 58 8.245 -8.914 15.472 1.00 0.00 N ATOM 788 CA GLU A 58 9.647 -8.525 15.797 1.00 0.00 C ATOM 789 C GLU A 58 9.827 -8.401 17.313 1.00 0.00 C ATOM 790 O GLU A 58 10.904 -8.605 17.836 1.00 0.00 O ATOM 791 CB GLU A 58 9.846 -7.168 15.121 1.00 0.00 C ATOM 792 CG GLU A 58 11.259 -6.654 15.412 1.00 0.00 C ATOM 793 CD GLU A 58 11.517 -5.386 14.599 1.00 0.00 C ATOM 794 OE1 GLU A 58 11.303 -5.421 13.398 1.00 0.00 O ATOM 795 OE2 GLU A 58 11.928 -4.399 15.188 1.00 0.00 O ATOM 0 H GLU A 58 7.749 -8.273 14.853 1.00 0.00 H new ATOM 0 HA GLU A 58 10.371 -9.264 15.453 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.696 -7.260 14.045 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.106 -6.456 15.486 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.370 -6.445 16.476 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.995 -7.417 15.159 1.00 0.00 H new ATOM 922 N CYS B 16 12.222 14.000 3.454 1.00 0.00 N ATOM 923 CA CYS B 16 11.989 12.646 4.035 1.00 0.00 C ATOM 924 C CYS B 16 10.487 12.390 4.190 1.00 0.00 C ATOM 925 O CYS B 16 9.993 11.328 3.868 1.00 0.00 O ATOM 926 CB CYS B 16 12.673 12.676 5.401 1.00 0.00 C ATOM 927 SG CYS B 16 12.697 11.007 6.101 1.00 0.00 S ATOM 0 HA CYS B 16 12.383 11.851 3.402 1.00 0.00 H new ATOM 0 HB2 CYS B 16 13.690 13.055 5.302 1.00 0.00 H new ATOM 0 HB3 CYS B 16 12.144 13.355 6.070 1.00 0.00 H new ATOM 932 N GLU B 17 9.758 13.355 4.681 1.00 0.00 N ATOM 933 CA GLU B 17 8.288 13.164 4.855 1.00 0.00 C ATOM 934 C GLU B 17 7.574 13.321 3.511 1.00 0.00 C ATOM 935 O GLU B 17 6.492 12.804 3.306 1.00 0.00 O ATOM 936 CB GLU B 17 7.859 14.268 5.825 1.00 0.00 C ATOM 937 CG GLU B 17 6.410 14.032 6.255 1.00 0.00 C ATOM 938 CD GLU B 17 5.805 15.348 6.751 1.00 0.00 C ATOM 939 OE1 GLU B 17 6.472 16.037 7.502 1.00 0.00 O ATOM 940 OE2 GLU B 17 4.681 15.639 6.372 1.00 0.00 O ATOM 0 H GLU B 17 10.115 14.266 4.969 1.00 0.00 H new ATOM 0 HA GLU B 17 8.040 12.172 5.232 1.00 0.00 H new ATOM 0 HB2 GLU B 17 8.512 14.275 6.697 1.00 0.00 H new ATOM 0 HB3 GLU B 17 7.954 15.243 5.348 1.00 0.00 H new ATOM 0 HG2 GLU B 17 5.829 13.645 5.418 1.00 0.00 H new ATOM 0 HG3 GLU B 17 6.371 13.281 7.044 1.00 0.00 H new ATOM 947 N LEU B 18 8.170 14.031 2.592 1.00 0.00 N ATOM 948 CA LEU B 18 7.527 14.221 1.258 1.00 0.00 C ATOM 949 C LEU B 18 7.953 13.109 0.290 1.00 0.00 C ATOM 950 O LEU B 18 7.420 12.984 -0.795 1.00 0.00 O ATOM 951 CB LEU B 18 8.034 15.578 0.769 1.00 0.00 C ATOM 952 CG LEU B 18 6.976 16.227 -0.128 1.00 0.00 C ATOM 953 CD1 LEU B 18 6.122 17.186 0.702 1.00 0.00 C ATOM 954 CD2 LEU B 18 7.666 17.004 -1.252 1.00 0.00 C ATOM 0 H LEU B 18 9.075 14.488 2.706 1.00 0.00 H new ATOM 0 HA LEU B 18 6.439 14.184 1.318 1.00 0.00 H new ATOM 0 HB2 LEU B 18 8.251 16.225 1.619 1.00 0.00 H new ATOM 0 HB3 LEU B 18 8.966 15.453 0.218 1.00 0.00 H new ATOM 0 HG LEU B 18 6.341 15.452 -0.558 1.00 0.00 H new ATOM 0 HD11 LEU B 18 5.369 17.648 0.064 1.00 0.00 H new ATOM 0 HD12 LEU B 18 5.630 16.635 1.503 1.00 0.00 H new ATOM 0 HD13 LEU B 18 6.758 17.960 1.132 1.00 0.00 H new ATOM 0 HD21 LEU B 18 6.913 17.466 -1.890 1.00 0.00 H new ATOM 0 HD22 LEU B 18 8.302 17.778 -0.822 1.00 0.00 H new ATOM 0 HD23 LEU B 18 8.275 16.322 -1.845 1.00 0.00 H new ATOM 966 N TYR B 19 8.910 12.305 0.668 1.00 0.00 N ATOM 967 CA TYR B 19 9.367 11.210 -0.237 1.00 0.00 C ATOM 968 C TYR B 19 8.195 10.298 -0.611 1.00 0.00 C ATOM 969 O TYR B 19 7.707 10.322 -1.723 1.00 0.00 O ATOM 970 CB TYR B 19 10.410 10.442 0.578 1.00 0.00 C ATOM 971 CG TYR B 19 10.892 9.247 -0.210 1.00 0.00 C ATOM 972 CD1 TYR B 19 11.488 9.432 -1.476 1.00 0.00 C ATOM 973 CD2 TYR B 19 10.747 7.946 0.321 1.00 0.00 C ATOM 974 CE1 TYR B 19 11.939 8.315 -2.214 1.00 0.00 C ATOM 975 CE2 TYR B 19 11.199 6.829 -0.416 1.00 0.00 C ATOM 976 CZ TYR B 19 11.796 7.013 -1.683 1.00 0.00 C ATOM 977 OH TYR B 19 12.238 5.923 -2.403 1.00 0.00 O ATOM 0 H TYR B 19 9.395 12.359 1.564 1.00 0.00 H new ATOM 0 HA TYR B 19 9.775 11.590 -1.173 1.00 0.00 H new ATOM 0 HB2 TYR B 19 11.250 11.094 0.819 1.00 0.00 H new ATOM 0 HB3 TYR B 19 9.978 10.116 1.524 1.00 0.00 H new ATOM 0 HD1 TYR B 19 11.599 10.427 -1.880 1.00 0.00 H new ATOM 0 HD2 TYR B 19 10.291 7.806 1.290 1.00 0.00 H new ATOM 0 HE1 TYR B 19 12.393 8.456 -3.184 1.00 0.00 H new ATOM 0 HE2 TYR B 19 11.088 5.834 -0.011 1.00 0.00 H new ATOM 0 HH TYR B 19 12.393 5.170 -1.795 1.00 0.00 H new ATOM 987 N VAL B 20 7.747 9.488 0.306 1.00 0.00 N ATOM 988 CA VAL B 20 6.614 8.568 0.002 1.00 0.00 C ATOM 989 C VAL B 20 5.352 9.363 -0.347 1.00 0.00 C ATOM 990 O VAL B 20 4.427 8.842 -0.940 1.00 0.00 O ATOM 991 CB VAL B 20 6.399 7.761 1.283 1.00 0.00 C ATOM 992 CG1 VAL B 20 7.638 6.910 1.564 1.00 0.00 C ATOM 993 CG2 VAL B 20 6.163 8.718 2.455 1.00 0.00 C ATOM 0 H VAL B 20 8.116 9.422 1.255 1.00 0.00 H new ATOM 0 HA VAL B 20 6.829 7.928 -0.854 1.00 0.00 H new ATOM 0 HB VAL B 20 5.532 7.112 1.162 1.00 0.00 H new ATOM 0 HG11 VAL B 20 7.485 6.335 2.477 1.00 0.00 H new ATOM 0 HG12 VAL B 20 7.808 6.229 0.730 1.00 0.00 H new ATOM 0 HG13 VAL B 20 8.505 7.559 1.685 1.00 0.00 H new ATOM 0 HG21 VAL B 20 6.010 8.144 3.369 1.00 0.00 H new ATOM 0 HG22 VAL B 20 7.031 9.367 2.576 1.00 0.00 H new ATOM 0 HG23 VAL B 20 5.280 9.326 2.256 1.00 0.00 H new ATOM 1003 N GLN B 21 5.303 10.613 0.015 1.00 0.00 N ATOM 1004 CA GLN B 21 4.095 11.431 -0.301 1.00 0.00 C ATOM 1005 C GLN B 21 3.809 11.397 -1.806 1.00 0.00 C ATOM 1006 O GLN B 21 2.709 11.666 -2.243 1.00 0.00 O ATOM 1007 CB GLN B 21 4.444 12.849 0.147 1.00 0.00 C ATOM 1008 CG GLN B 21 3.158 13.663 0.303 1.00 0.00 C ATOM 1009 CD GLN B 21 3.470 14.980 1.018 1.00 0.00 C ATOM 1010 OE1 GLN B 21 4.376 15.048 1.821 1.00 0.00 O ATOM 1011 NE2 GLN B 21 2.749 16.035 0.754 1.00 0.00 N ATOM 0 H GLN B 21 6.044 11.105 0.515 1.00 0.00 H new ATOM 0 HA GLN B 21 3.202 11.055 0.199 1.00 0.00 H new ATOM 0 HB2 GLN B 21 4.986 12.821 1.092 1.00 0.00 H new ATOM 0 HB3 GLN B 21 5.101 13.322 -0.583 1.00 0.00 H new ATOM 0 HG2 GLN B 21 2.721 13.863 -0.675 1.00 0.00 H new ATOM 0 HG3 GLN B 21 2.422 13.094 0.871 1.00 0.00 H new ATOM 0 HE21 GLN B 21 1.987 15.976 0.078 1.00 0.00 H new ATOM 0 HE22 GLN B 21 2.947 16.919 1.223 1.00 0.00 H new ATOM 1020 N LYS B 22 4.791 11.069 -2.603 1.00 0.00 N ATOM 1021 CA LYS B 22 4.571 11.024 -4.077 1.00 0.00 C ATOM 1022 C LYS B 22 3.927 9.694 -4.478 1.00 0.00 C ATOM 1023 O LYS B 22 3.001 9.652 -5.262 1.00 0.00 O ATOM 1024 CB LYS B 22 5.965 11.144 -4.690 1.00 0.00 C ATOM 1025 CG LYS B 22 6.367 12.618 -4.763 1.00 0.00 C ATOM 1026 CD LYS B 22 7.861 12.723 -5.076 1.00 0.00 C ATOM 1027 CE LYS B 22 8.411 14.035 -4.514 1.00 0.00 C ATOM 1028 NZ LYS B 22 9.857 14.028 -4.870 1.00 0.00 N ATOM 0 H LYS B 22 5.734 10.831 -2.297 1.00 0.00 H new ATOM 0 HA LYS B 22 3.904 11.817 -4.416 1.00 0.00 H new ATOM 0 HB2 LYS B 22 6.686 10.589 -4.090 1.00 0.00 H new ATOM 0 HB3 LYS B 22 5.974 10.704 -5.687 1.00 0.00 H new ATOM 0 HG2 LYS B 22 5.786 13.127 -5.533 1.00 0.00 H new ATOM 0 HG3 LYS B 22 6.147 13.114 -3.818 1.00 0.00 H new ATOM 0 HD2 LYS B 22 8.394 11.877 -4.642 1.00 0.00 H new ATOM 0 HD3 LYS B 22 8.021 12.681 -6.153 1.00 0.00 H new ATOM 0 HE2 LYS B 22 7.901 14.895 -4.948 1.00 0.00 H new ATOM 0 HE3 LYS B 22 8.270 14.092 -3.435 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 10.305 14.898 -4.518 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 10.317 13.202 -4.437 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 9.960 13.980 -5.904 1.00 0.00 H new ATOM 1042 N HIS B 23 4.415 8.602 -3.949 1.00 0.00 N ATOM 1043 CA HIS B 23 3.832 7.278 -4.307 1.00 0.00 C ATOM 1044 C HIS B 23 4.389 6.185 -3.392 1.00 0.00 C ATOM 1045 O HIS B 23 5.382 5.555 -3.696 1.00 0.00 O ATOM 1046 CB HIS B 23 4.269 7.038 -5.752 1.00 0.00 C ATOM 1047 CG HIS B 23 3.684 5.745 -6.246 1.00 0.00 C ATOM 1048 ND1 HIS B 23 4.446 4.596 -6.388 1.00 0.00 N ATOM 1049 CD2 HIS B 23 2.415 5.402 -6.638 1.00 0.00 C ATOM 1050 CE1 HIS B 23 3.635 3.624 -6.845 1.00 0.00 C ATOM 1051 NE2 HIS B 23 2.386 4.063 -7.016 1.00 0.00 N ATOM 0 H HIS B 23 5.190 8.571 -3.286 1.00 0.00 H new ATOM 0 HA HIS B 23 2.748 7.260 -4.195 1.00 0.00 H new ATOM 0 HB2 HIS B 23 3.940 7.863 -6.384 1.00 0.00 H new ATOM 0 HB3 HIS B 23 5.357 7.004 -5.813 1.00 0.00 H new ATOM 0 HD2 HIS B 23 1.567 6.070 -6.651 1.00 0.00 H new ATOM 0 HE1 HIS B 23 3.955 2.613 -7.048 1.00 0.00 H new ATOM 0 HE2 HIS B 23 1.583 3.531 -7.352 1.00 0.00 H new ATOM 1059 N ASN B 24 3.759 5.954 -2.273 1.00 0.00 N ATOM 1060 CA ASN B 24 4.254 4.900 -1.341 1.00 0.00 C ATOM 1061 C ASN B 24 3.206 4.608 -0.265 1.00 0.00 C ATOM 1062 O ASN B 24 2.499 3.622 -0.324 1.00 0.00 O ATOM 1063 CB ASN B 24 5.516 5.490 -0.710 1.00 0.00 C ATOM 1064 CG ASN B 24 6.749 4.996 -1.469 1.00 0.00 C ATOM 1065 OD1 ASN B 24 7.607 5.777 -1.832 1.00 0.00 O ATOM 1066 ND2 ASN B 24 6.876 3.723 -1.725 1.00 0.00 N ATOM 0 H ASN B 24 2.923 6.449 -1.963 1.00 0.00 H new ATOM 0 HA ASN B 24 4.454 3.959 -1.853 1.00 0.00 H new ATOM 0 HB2 ASN B 24 5.473 6.579 -0.736 1.00 0.00 H new ATOM 0 HB3 ASN B 24 5.581 5.198 0.338 1.00 0.00 H new ATOM 0 HD21 ASN B 24 7.695 3.383 -2.229 1.00 0.00 H new ATOM 0 HD22 ASN B 24 6.156 3.067 -1.421 1.00 0.00 H new ATOM 1073 N ILE B 25 3.104 5.459 0.717 1.00 0.00 N ATOM 1074 CA ILE B 25 2.104 5.233 1.800 1.00 0.00 C ATOM 1075 C ILE B 25 0.733 5.769 1.378 1.00 0.00 C ATOM 1076 O ILE B 25 -0.292 5.309 1.838 1.00 0.00 O ATOM 1077 CB ILE B 25 2.635 6.015 3.004 1.00 0.00 C ATOM 1078 CG1 ILE B 25 4.072 5.579 3.308 1.00 0.00 C ATOM 1079 CG2 ILE B 25 1.752 5.739 4.221 1.00 0.00 C ATOM 1080 CD1 ILE B 25 4.109 4.072 3.570 1.00 0.00 C ATOM 0 H ILE B 25 3.670 6.302 0.818 1.00 0.00 H new ATOM 0 HA ILE B 25 1.976 4.174 2.025 1.00 0.00 H new ATOM 0 HB ILE B 25 2.620 7.081 2.777 1.00 0.00 H new ATOM 0 HG12 ILE B 25 4.723 5.828 2.470 1.00 0.00 H new ATOM 0 HG13 ILE B 25 4.450 6.118 4.177 1.00 0.00 H new ATOM 0 HG21 ILE B 25 2.130 6.296 5.079 1.00 0.00 H new ATOM 0 HG22 ILE B 25 0.730 6.052 4.007 1.00 0.00 H new ATOM 0 HG23 ILE B 25 1.766 4.673 4.446 1.00 0.00 H new ATOM 0 HD11 ILE B 25 5.132 3.765 3.786 1.00 0.00 H new ATOM 0 HD12 ILE B 25 3.472 3.835 4.422 1.00 0.00 H new ATOM 0 HD13 ILE B 25 3.749 3.541 2.689 1.00 0.00 H new ATOM 1092 N GLN B 26 0.708 6.740 0.505 1.00 0.00 N ATOM 1093 CA GLN B 26 -0.597 7.303 0.056 1.00 0.00 C ATOM 1094 C GLN B 26 -1.440 6.218 -0.620 1.00 0.00 C ATOM 1095 O GLN B 26 -2.654 6.276 -0.625 1.00 0.00 O ATOM 1096 CB GLN B 26 -0.235 8.400 -0.946 1.00 0.00 C ATOM 1097 CG GLN B 26 -1.098 9.635 -0.683 1.00 0.00 C ATOM 1098 CD GLN B 26 -1.320 10.392 -1.994 1.00 0.00 C ATOM 1099 OE1 GLN B 26 -2.401 10.374 -2.545 1.00 0.00 O ATOM 1100 NE2 GLN B 26 -0.331 11.062 -2.520 1.00 0.00 N ATOM 0 H GLN B 26 1.533 7.167 0.084 1.00 0.00 H new ATOM 0 HA GLN B 26 -1.185 7.689 0.889 1.00 0.00 H new ATOM 0 HB2 GLN B 26 0.821 8.655 -0.857 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -0.392 8.044 -1.964 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -2.056 9.338 -0.256 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -0.611 10.283 0.046 1.00 0.00 H new ATOM 0 HE21 GLN B 26 0.578 11.077 -2.057 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -0.467 11.570 -3.394 1.00 0.00 H new ATOM 1109 N ALA B 27 -0.808 5.230 -1.188 1.00 0.00 N ATOM 1110 CA ALA B 27 -1.576 4.143 -1.863 1.00 0.00 C ATOM 1111 C ALA B 27 -2.623 3.561 -0.910 1.00 0.00 C ATOM 1112 O ALA B 27 -3.805 3.805 -1.048 1.00 0.00 O ATOM 1113 CB ALA B 27 -0.530 3.086 -2.222 1.00 0.00 C ATOM 0 H ALA B 27 0.206 5.126 -1.215 1.00 0.00 H new ATOM 0 HA ALA B 27 -2.114 4.501 -2.741 1.00 0.00 H new ATOM 0 HB1 ALA B 27 -1.016 2.249 -2.724 1.00 0.00 H new ATOM 0 HB2 ALA B 27 0.216 3.523 -2.885 1.00 0.00 H new ATOM 0 HB3 ALA B 27 -0.044 2.731 -1.313 1.00 0.00 H new ATOM 1119 N LEU B 28 -2.199 2.794 0.055 1.00 0.00 N ATOM 1120 CA LEU B 28 -3.169 2.197 1.018 1.00 0.00 C ATOM 1121 C LEU B 28 -3.905 3.298 1.787 1.00 0.00 C ATOM 1122 O LEU B 28 -4.960 3.074 2.349 1.00 0.00 O ATOM 1123 CB LEU B 28 -2.313 1.361 1.971 1.00 0.00 C ATOM 1124 CG LEU B 28 -1.325 2.272 2.701 1.00 0.00 C ATOM 1125 CD1 LEU B 28 -1.691 2.336 4.184 1.00 0.00 C ATOM 1126 CD2 LEU B 28 0.091 1.712 2.550 1.00 0.00 C ATOM 0 H LEU B 28 -1.221 2.554 0.220 1.00 0.00 H new ATOM 0 HA LEU B 28 -3.931 1.599 0.517 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -2.949 0.846 2.691 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -1.774 0.594 1.415 1.00 0.00 H new ATOM 0 HG LEU B 28 -1.368 3.273 2.272 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -0.987 2.985 4.705 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -2.700 2.733 4.293 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -1.647 1.335 4.613 1.00 0.00 H new ATOM 0 HD21 LEU B 28 0.796 2.361 3.070 1.00 0.00 H new ATOM 0 HD22 LEU B 28 0.134 0.711 2.979 1.00 0.00 H new ATOM 0 HD23 LEU B 28 0.353 1.665 1.493 1.00 0.00 H new ATOM 1138 N LEU B 29 -3.359 4.482 1.822 1.00 0.00 N ATOM 1139 CA LEU B 29 -4.029 5.591 2.561 1.00 0.00 C ATOM 1140 C LEU B 29 -5.254 6.095 1.788 1.00 0.00 C ATOM 1141 O LEU B 29 -6.109 6.762 2.334 1.00 0.00 O ATOM 1142 CB LEU B 29 -2.974 6.694 2.668 1.00 0.00 C ATOM 1143 CG LEU B 29 -2.482 6.787 4.114 1.00 0.00 C ATOM 1144 CD1 LEU B 29 -1.887 5.444 4.540 1.00 0.00 C ATOM 1145 CD2 LEU B 29 -1.411 7.874 4.219 1.00 0.00 C ATOM 0 H LEU B 29 -2.478 4.730 1.371 1.00 0.00 H new ATOM 0 HA LEU B 29 -4.387 5.269 3.539 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -2.139 6.480 2.001 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -3.396 7.648 2.354 1.00 0.00 H new ATOM 0 HG LEU B 29 -3.319 7.036 4.766 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -1.537 5.511 5.570 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -2.649 4.668 4.466 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -1.050 5.194 3.888 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -1.060 7.941 5.249 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -0.575 7.625 3.566 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -1.834 8.832 3.917 1.00 0.00 H new ATOM 1157 N LYS B 30 -5.345 5.781 0.526 1.00 0.00 N ATOM 1158 CA LYS B 30 -6.515 6.249 -0.275 1.00 0.00 C ATOM 1159 C LYS B 30 -7.767 5.440 0.083 1.00 0.00 C ATOM 1160 O LYS B 30 -8.743 5.972 0.571 1.00 0.00 O ATOM 1161 CB LYS B 30 -6.121 6.006 -1.733 1.00 0.00 C ATOM 1162 CG LYS B 30 -5.388 7.235 -2.273 1.00 0.00 C ATOM 1163 CD LYS B 30 -5.100 7.043 -3.764 1.00 0.00 C ATOM 1164 CE LYS B 30 -5.004 8.410 -4.447 1.00 0.00 C ATOM 1165 NZ LYS B 30 -3.547 8.706 -4.509 1.00 0.00 N ATOM 0 H LYS B 30 -4.663 5.222 0.014 1.00 0.00 H new ATOM 0 HA LYS B 30 -6.750 7.296 -0.083 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -5.482 5.126 -1.807 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -7.009 5.806 -2.333 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -5.993 8.129 -2.121 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -4.456 7.384 -1.728 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -4.169 6.492 -3.897 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -5.890 6.450 -4.224 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -5.445 8.385 -5.444 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -5.538 9.173 -3.881 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -3.329 9.192 -5.402 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -3.282 9.316 -3.710 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -3.010 7.817 -4.459 1.00 0.00 H new ATOM 1179 N ASP B 31 -7.745 4.158 -0.159 1.00 0.00 N ATOM 1180 CA ASP B 31 -8.934 3.316 0.162 1.00 0.00 C ATOM 1181 C ASP B 31 -9.138 3.226 1.678 1.00 0.00 C ATOM 1182 O ASP B 31 -10.251 3.220 2.166 1.00 0.00 O ATOM 1183 CB ASP B 31 -8.608 1.938 -0.415 1.00 0.00 C ATOM 1184 CG ASP B 31 -9.130 1.847 -1.849 1.00 0.00 C ATOM 1185 OD1 ASP B 31 -8.982 2.817 -2.576 1.00 0.00 O ATOM 1186 OD2 ASP B 31 -9.671 0.811 -2.197 1.00 0.00 O ATOM 0 H ASP B 31 -6.955 3.656 -0.565 1.00 0.00 H new ATOM 0 HA ASP B 31 -9.853 3.730 -0.254 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -7.531 1.771 -0.398 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -9.061 1.159 0.198 1.00 0.00 H new ATOM 1191 N SER B 32 -8.072 3.150 2.426 1.00 0.00 N ATOM 1192 CA SER B 32 -8.206 3.051 3.908 1.00 0.00 C ATOM 1193 C SER B 32 -9.011 4.236 4.454 1.00 0.00 C ATOM 1194 O SER B 32 -10.075 4.066 5.016 1.00 0.00 O ATOM 1195 CB SER B 32 -6.775 3.093 4.438 1.00 0.00 C ATOM 1196 OG SER B 32 -6.201 4.357 4.135 1.00 0.00 O ATOM 0 H SER B 32 -7.114 3.152 2.076 1.00 0.00 H new ATOM 0 HA SER B 32 -8.731 2.145 4.211 1.00 0.00 H new ATOM 0 HB2 SER B 32 -6.768 2.926 5.515 1.00 0.00 H new ATOM 0 HB3 SER B 32 -6.184 2.295 3.988 1.00 0.00 H new ATOM 0 HG SER B 32 -5.665 4.664 4.896 1.00 0.00 H new ATOM 1202 N ILE B 33 -8.511 5.429 4.299 1.00 0.00 N ATOM 1203 CA ILE B 33 -9.243 6.622 4.819 1.00 0.00 C ATOM 1204 C ILE B 33 -10.693 6.619 4.321 1.00 0.00 C ATOM 1205 O ILE B 33 -11.619 6.859 5.073 1.00 0.00 O ATOM 1206 CB ILE B 33 -8.482 7.829 4.263 1.00 0.00 C ATOM 1207 CG1 ILE B 33 -7.083 7.878 4.886 1.00 0.00 C ATOM 1208 CG2 ILE B 33 -9.233 9.119 4.601 1.00 0.00 C ATOM 1209 CD1 ILE B 33 -6.225 8.892 4.129 1.00 0.00 C ATOM 0 H ILE B 33 -7.626 5.632 3.834 1.00 0.00 H new ATOM 0 HA ILE B 33 -9.287 6.635 5.908 1.00 0.00 H new ATOM 0 HB ILE B 33 -8.400 7.734 3.180 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -7.151 8.156 5.938 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -6.620 6.892 4.846 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -8.686 9.973 4.203 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -10.229 9.087 4.158 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -9.320 9.217 5.683 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -5.229 8.928 4.571 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -6.147 8.594 3.083 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -6.686 9.878 4.192 1.00 0.00 H new ATOM 1221 N VAL B 34 -10.899 6.357 3.059 1.00 0.00 N ATOM 1222 CA VAL B 34 -12.289 6.349 2.515 1.00 0.00 C ATOM 1223 C VAL B 34 -13.185 5.417 3.342 1.00 0.00 C ATOM 1224 O VAL B 34 -14.386 5.580 3.385 1.00 0.00 O ATOM 1225 CB VAL B 34 -12.150 5.830 1.084 1.00 0.00 C ATOM 1226 CG1 VAL B 34 -13.539 5.676 0.458 1.00 0.00 C ATOM 1227 CG2 VAL B 34 -11.329 6.824 0.258 1.00 0.00 C ATOM 0 H VAL B 34 -10.166 6.148 2.381 1.00 0.00 H new ATOM 0 HA VAL B 34 -12.749 7.337 2.549 1.00 0.00 H new ATOM 0 HB VAL B 34 -11.647 4.863 1.097 1.00 0.00 H new ATOM 0 HG11 VAL B 34 -13.439 5.306 -0.562 1.00 0.00 H new ATOM 0 HG12 VAL B 34 -14.126 4.969 1.045 1.00 0.00 H new ATOM 0 HG13 VAL B 34 -14.042 6.643 0.446 1.00 0.00 H new ATOM 0 HG21 VAL B 34 -11.230 6.454 -0.763 1.00 0.00 H new ATOM 0 HG22 VAL B 34 -11.833 7.791 0.246 1.00 0.00 H new ATOM 0 HG23 VAL B 34 -10.340 6.936 0.701 1.00 0.00 H new ATOM 1237 N GLN B 35 -12.613 4.441 3.993 1.00 0.00 N ATOM 1238 CA GLN B 35 -13.445 3.505 4.804 1.00 0.00 C ATOM 1239 C GLN B 35 -13.191 3.715 6.300 1.00 0.00 C ATOM 1240 O GLN B 35 -14.082 3.589 7.115 1.00 0.00 O ATOM 1241 CB GLN B 35 -12.997 2.107 4.379 1.00 0.00 C ATOM 1242 CG GLN B 35 -14.098 1.096 4.707 1.00 0.00 C ATOM 1243 CD GLN B 35 -13.838 -0.208 3.950 1.00 0.00 C ATOM 1244 OE1 GLN B 35 -12.702 -0.583 3.732 1.00 0.00 O ATOM 1245 NE2 GLN B 35 -14.850 -0.921 3.536 1.00 0.00 N ATOM 0 H GLN B 35 -11.611 4.251 3.999 1.00 0.00 H new ATOM 0 HA GLN B 35 -14.511 3.663 4.642 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -12.781 2.092 3.311 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -12.075 1.837 4.894 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -14.124 0.907 5.780 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -15.072 1.501 4.431 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -15.803 -0.607 3.718 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -14.687 -1.792 3.030 1.00 0.00 H new ATOM 1254 N LEU B 36 -11.980 4.030 6.667 1.00 0.00 N ATOM 1255 CA LEU B 36 -11.667 4.244 8.108 1.00 0.00 C ATOM 1256 C LEU B 36 -12.635 5.257 8.726 1.00 0.00 C ATOM 1257 O LEU B 36 -12.837 5.284 9.924 1.00 0.00 O ATOM 1258 CB LEU B 36 -10.239 4.786 8.125 1.00 0.00 C ATOM 1259 CG LEU B 36 -9.289 3.706 8.649 1.00 0.00 C ATOM 1260 CD1 LEU B 36 -9.686 3.324 10.076 1.00 0.00 C ATOM 1261 CD2 LEU B 36 -9.377 2.470 7.748 1.00 0.00 C ATOM 0 H LEU B 36 -11.192 4.149 6.030 1.00 0.00 H new ATOM 0 HA LEU B 36 -11.764 3.327 8.689 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -9.942 5.090 7.121 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -10.183 5.672 8.757 1.00 0.00 H new ATOM 0 HG LEU B 36 -8.268 4.088 8.646 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -9.009 2.555 10.448 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -9.625 4.203 10.718 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -10.707 2.942 10.080 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -8.701 1.700 8.120 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -10.398 2.089 7.752 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -9.094 2.741 6.731 1.00 0.00 H new ATOM 1273 N CYS B 37 -13.239 6.090 7.920 1.00 0.00 N ATOM 1274 CA CYS B 37 -14.192 7.100 8.469 1.00 0.00 C ATOM 1275 C CYS B 37 -15.215 6.420 9.389 1.00 0.00 C ATOM 1276 O CYS B 37 -15.287 6.705 10.568 1.00 0.00 O ATOM 1277 CB CYS B 37 -14.886 7.696 7.244 1.00 0.00 C ATOM 1278 SG CYS B 37 -15.418 9.386 7.613 1.00 0.00 S ATOM 0 H CYS B 37 -13.114 6.115 6.908 1.00 0.00 H new ATOM 0 HA CYS B 37 -13.688 7.862 9.064 1.00 0.00 H new ATOM 0 HB2 CYS B 37 -14.206 7.695 6.392 1.00 0.00 H new ATOM 0 HB3 CYS B 37 -15.745 7.085 6.967 1.00 0.00 H new ATOM 1283 N THR B 38 -16.000 5.524 8.858 1.00 0.00 N ATOM 1284 CA THR B 38 -17.011 4.826 9.701 1.00 0.00 C ATOM 1285 C THR B 38 -16.416 3.548 10.308 1.00 0.00 C ATOM 1286 O THR B 38 -17.018 2.918 11.155 1.00 0.00 O ATOM 1287 CB THR B 38 -18.153 4.482 8.744 1.00 0.00 C ATOM 1288 OG1 THR B 38 -18.682 5.679 8.191 1.00 0.00 O ATOM 1289 CG2 THR B 38 -19.252 3.737 9.502 1.00 0.00 C ATOM 0 H THR B 38 -15.985 5.245 7.877 1.00 0.00 H new ATOM 0 HA THR B 38 -17.346 5.443 10.535 1.00 0.00 H new ATOM 0 HB THR B 38 -17.776 3.847 7.942 1.00 0.00 H new ATOM 0 HG1 THR B 38 -19.413 5.460 7.576 1.00 0.00 H new ATOM 0 HG21 THR B 38 -20.065 3.493 8.818 1.00 0.00 H new ATOM 0 HG22 THR B 38 -18.844 2.818 9.924 1.00 0.00 H new ATOM 0 HG23 THR B 38 -19.632 4.368 10.306 1.00 0.00 H new ATOM 1297 N ALA B 39 -15.243 3.157 9.883 1.00 0.00 N ATOM 1298 CA ALA B 39 -14.624 1.918 10.439 1.00 0.00 C ATOM 1299 C ALA B 39 -14.332 2.089 11.933 1.00 0.00 C ATOM 1300 O ALA B 39 -14.023 3.168 12.398 1.00 0.00 O ATOM 1301 CB ALA B 39 -13.321 1.740 9.658 1.00 0.00 C ATOM 0 H ALA B 39 -14.688 3.641 9.177 1.00 0.00 H new ATOM 0 HA ALA B 39 -15.281 1.054 10.343 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -12.805 0.847 10.010 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -13.545 1.636 8.596 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -12.683 2.611 9.811 1.00 0.00 H new ATOM 1307 N ARG B 40 -14.426 1.027 12.685 1.00 0.00 N ATOM 1308 CA ARG B 40 -14.151 1.117 14.146 1.00 0.00 C ATOM 1309 C ARG B 40 -13.257 -0.051 14.580 1.00 0.00 C ATOM 1310 O ARG B 40 -13.622 -0.821 15.446 1.00 0.00 O ATOM 1311 CB ARG B 40 -15.522 1.024 14.814 1.00 0.00 C ATOM 1312 CG ARG B 40 -16.218 2.384 14.746 1.00 0.00 C ATOM 1313 CD ARG B 40 -16.957 2.645 16.059 1.00 0.00 C ATOM 1314 NE ARG B 40 -18.144 1.748 16.015 1.00 0.00 N ATOM 1315 CZ ARG B 40 -18.935 1.659 17.049 1.00 0.00 C ATOM 1316 NH1 ARG B 40 -19.565 2.715 17.483 1.00 0.00 N ATOM 1317 NH2 ARG B 40 -19.095 0.511 17.650 1.00 0.00 N ATOM 0 H ARG B 40 -14.682 0.099 12.349 1.00 0.00 H new ATOM 0 HA ARG B 40 -13.632 2.036 14.417 1.00 0.00 H new ATOM 0 HB2 ARG B 40 -16.130 0.268 14.317 1.00 0.00 H new ATOM 0 HB3 ARG B 40 -15.412 0.712 15.853 1.00 0.00 H new ATOM 0 HG2 ARG B 40 -15.485 3.171 14.566 1.00 0.00 H new ATOM 0 HG3 ARG B 40 -16.919 2.404 13.912 1.00 0.00 H new ATOM 0 HD2 ARG B 40 -16.325 2.422 16.919 1.00 0.00 H new ATOM 0 HD3 ARG B 40 -17.254 3.690 16.144 1.00 0.00 H new ATOM 0 HE ARG B 40 -18.339 1.202 15.176 1.00 0.00 H new ATOM 0 HH11 ARG B 40 -19.440 3.612 17.014 1.00 0.00 H new ATOM 0 HH12 ARG B 40 -20.183 2.644 18.291 1.00 0.00 H new ATOM 0 HH21 ARG B 40 -18.602 -0.315 17.311 1.00 0.00 H new ATOM 0 HH22 ARG B 40 -19.713 0.440 18.458 1.00 0.00 H new ATOM 1331 N PRO B 41 -12.109 -0.149 13.952 1.00 0.00 N ATOM 1332 CA PRO B 41 -11.159 -1.245 14.274 1.00 0.00 C ATOM 1333 C PRO B 41 -10.522 -1.026 15.649 1.00 0.00 C ATOM 1334 O PRO B 41 -9.872 -0.028 15.892 1.00 0.00 O ATOM 1335 CB PRO B 41 -10.107 -1.141 13.171 1.00 0.00 C ATOM 1336 CG PRO B 41 -10.167 0.281 12.712 1.00 0.00 C ATOM 1337 CD PRO B 41 -11.591 0.735 12.897 1.00 0.00 C ATOM 0 HA PRO B 41 -11.639 -2.223 14.316 1.00 0.00 H new ATOM 0 HB2 PRO B 41 -9.115 -1.393 13.546 1.00 0.00 H new ATOM 0 HB3 PRO B 41 -10.323 -1.829 12.354 1.00 0.00 H new ATOM 0 HG2 PRO B 41 -9.484 0.904 13.290 1.00 0.00 H new ATOM 0 HG3 PRO B 41 -9.867 0.364 11.667 1.00 0.00 H new ATOM 0 HD2 PRO B 41 -11.641 1.783 13.193 1.00 0.00 H new ATOM 0 HD3 PRO B 41 -12.165 0.636 11.976 1.00 0.00 H new ATOM 1345 N GLU B 42 -10.696 -1.955 16.548 1.00 0.00 N ATOM 1346 CA GLU B 42 -10.089 -1.805 17.901 1.00 0.00 C ATOM 1347 C GLU B 42 -8.567 -1.693 17.769 1.00 0.00 C ATOM 1348 O GLU B 42 -7.966 -0.722 18.183 1.00 0.00 O ATOM 1349 CB GLU B 42 -10.480 -3.081 18.652 1.00 0.00 C ATOM 1350 CG GLU B 42 -9.733 -3.149 19.987 1.00 0.00 C ATOM 1351 CD GLU B 42 -10.648 -3.749 21.056 1.00 0.00 C ATOM 1352 OE1 GLU B 42 -11.487 -4.563 20.701 1.00 0.00 O ATOM 1353 OE2 GLU B 42 -10.493 -3.389 22.211 1.00 0.00 O ATOM 0 H GLU B 42 -11.232 -2.811 16.405 1.00 0.00 H new ATOM 0 HA GLU B 42 -10.432 -0.912 18.423 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -11.556 -3.096 18.826 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -10.243 -3.956 18.047 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -8.833 -3.755 19.882 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -9.412 -2.152 20.287 1.00 0.00 H new ATOM 1360 N ARG B 43 -7.945 -2.681 17.186 1.00 0.00 N ATOM 1361 CA ARG B 43 -6.464 -2.636 17.016 1.00 0.00 C ATOM 1362 C ARG B 43 -6.114 -2.459 15.535 1.00 0.00 C ATOM 1363 O ARG B 43 -6.088 -3.418 14.789 1.00 0.00 O ATOM 1364 CB ARG B 43 -5.965 -3.987 17.529 1.00 0.00 C ATOM 1365 CG ARG B 43 -4.686 -3.784 18.343 1.00 0.00 C ATOM 1366 CD ARG B 43 -4.973 -4.050 19.822 1.00 0.00 C ATOM 1367 NE ARG B 43 -3.634 -4.116 20.469 1.00 0.00 N ATOM 1368 CZ ARG B 43 -3.424 -4.949 21.451 1.00 0.00 C ATOM 1369 NH1 ARG B 43 -3.292 -6.223 21.209 1.00 0.00 N ATOM 1370 NH2 ARG B 43 -3.351 -4.507 22.678 1.00 0.00 N ATOM 0 H ARG B 43 -8.398 -3.518 16.820 1.00 0.00 H new ATOM 0 HA ARG B 43 -6.008 -1.805 17.554 1.00 0.00 H new ATOM 0 HB2 ARG B 43 -6.730 -4.459 18.146 1.00 0.00 H new ATOM 0 HB3 ARG B 43 -5.773 -4.657 16.691 1.00 0.00 H new ATOM 0 HG2 ARG B 43 -3.905 -4.456 17.987 1.00 0.00 H new ATOM 0 HG3 ARG B 43 -4.316 -2.767 18.211 1.00 0.00 H new ATOM 0 HD2 ARG B 43 -5.582 -3.256 20.255 1.00 0.00 H new ATOM 0 HD3 ARG B 43 -5.522 -4.982 19.956 1.00 0.00 H new ATOM 0 HE ARG B 43 -2.881 -3.510 20.145 1.00 0.00 H new ATOM 0 HH11 ARG B 43 -3.353 -6.569 20.251 1.00 0.00 H new ATOM 0 HH12 ARG B 43 -3.128 -6.874 21.977 1.00 0.00 H new ATOM 0 HH21 ARG B 43 -3.458 -3.511 22.868 1.00 0.00 H new ATOM 0 HH22 ARG B 43 -3.187 -5.158 23.446 1.00 0.00 H new ATOM 1384 N PRO B 44 -5.859 -1.231 15.150 1.00 0.00 N ATOM 1385 CA PRO B 44 -5.513 -0.940 13.737 1.00 0.00 C ATOM 1386 C PRO B 44 -4.110 -1.458 13.406 1.00 0.00 C ATOM 1387 O PRO B 44 -3.753 -1.616 12.255 1.00 0.00 O ATOM 1388 CB PRO B 44 -5.567 0.583 13.661 1.00 0.00 C ATOM 1389 CG PRO B 44 -5.326 1.049 15.060 1.00 0.00 C ATOM 1390 CD PRO B 44 -5.866 -0.017 15.977 1.00 0.00 C ATOM 0 HA PRO B 44 -6.184 -1.421 13.025 1.00 0.00 H new ATOM 0 HB2 PRO B 44 -4.810 0.971 12.980 1.00 0.00 H new ATOM 0 HB3 PRO B 44 -6.534 0.926 13.292 1.00 0.00 H new ATOM 0 HG2 PRO B 44 -4.262 1.207 15.236 1.00 0.00 H new ATOM 0 HG3 PRO B 44 -5.824 2.002 15.241 1.00 0.00 H new ATOM 0 HD2 PRO B 44 -5.243 -0.134 16.864 1.00 0.00 H new ATOM 0 HD3 PRO B 44 -6.871 0.225 16.323 1.00 0.00 H new ATOM 1398 N MET B 45 -3.312 -1.729 14.403 1.00 0.00 N ATOM 1399 CA MET B 45 -1.936 -2.240 14.136 1.00 0.00 C ATOM 1400 C MET B 45 -2.009 -3.539 13.331 1.00 0.00 C ATOM 1401 O MET B 45 -1.579 -3.603 12.196 1.00 0.00 O ATOM 1402 CB MET B 45 -1.331 -2.494 15.515 1.00 0.00 C ATOM 1403 CG MET B 45 -0.837 -1.175 16.109 1.00 0.00 C ATOM 1404 SD MET B 45 -0.829 -1.293 17.916 1.00 0.00 S ATOM 1405 CE MET B 45 -1.629 0.297 18.248 1.00 0.00 C ATOM 0 H MET B 45 -3.552 -1.619 15.388 1.00 0.00 H new ATOM 0 HA MET B 45 -1.337 -1.538 13.556 1.00 0.00 H new ATOM 0 HB2 MET B 45 -2.075 -2.944 16.172 1.00 0.00 H new ATOM 0 HB3 MET B 45 -0.505 -3.201 15.436 1.00 0.00 H new ATOM 0 HG2 MET B 45 0.166 -0.952 15.744 1.00 0.00 H new ATOM 0 HG3 MET B 45 -1.482 -0.356 15.790 1.00 0.00 H new ATOM 0 HE1 MET B 45 -1.729 0.436 19.324 1.00 0.00 H new ATOM 0 HE2 MET B 45 -1.024 1.103 17.832 1.00 0.00 H new ATOM 0 HE3 MET B 45 -2.617 0.310 17.788 1.00 0.00 H new ATOM 1415 N ALA B 46 -2.556 -4.575 13.907 1.00 0.00 N ATOM 1416 CA ALA B 46 -2.660 -5.867 13.170 1.00 0.00 C ATOM 1417 C ALA B 46 -3.707 -5.752 12.062 1.00 0.00 C ATOM 1418 O ALA B 46 -3.657 -6.452 11.067 1.00 0.00 O ATOM 1419 CB ALA B 46 -3.097 -6.888 14.220 1.00 0.00 C ATOM 0 H ALA B 46 -2.935 -4.583 14.854 1.00 0.00 H new ATOM 0 HA ALA B 46 -1.722 -6.152 12.695 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -3.196 -7.869 13.755 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.351 -6.937 15.013 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -4.056 -6.588 14.642 1.00 0.00 H new ATOM 1425 N PHE B 47 -4.657 -4.870 12.221 1.00 0.00 N ATOM 1426 CA PHE B 47 -5.707 -4.708 11.174 1.00 0.00 C ATOM 1427 C PHE B 47 -5.052 -4.422 9.819 1.00 0.00 C ATOM 1428 O PHE B 47 -5.545 -4.822 8.783 1.00 0.00 O ATOM 1429 CB PHE B 47 -6.541 -3.511 11.634 1.00 0.00 C ATOM 1430 CG PHE B 47 -7.741 -3.359 10.729 1.00 0.00 C ATOM 1431 CD1 PHE B 47 -8.795 -4.300 10.791 1.00 0.00 C ATOM 1432 CD2 PHE B 47 -7.812 -2.278 9.823 1.00 0.00 C ATOM 1433 CE1 PHE B 47 -9.918 -4.157 9.946 1.00 0.00 C ATOM 1434 CE2 PHE B 47 -8.935 -2.136 8.978 1.00 0.00 C ATOM 1435 CZ PHE B 47 -9.987 -3.076 9.040 1.00 0.00 C ATOM 0 H PHE B 47 -4.751 -4.255 13.030 1.00 0.00 H new ATOM 0 HA PHE B 47 -6.317 -5.603 11.051 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -6.865 -3.654 12.665 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -5.938 -2.603 11.612 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -8.741 -5.127 11.484 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -7.007 -1.559 9.776 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -10.724 -4.874 9.993 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -8.989 -1.309 8.285 1.00 0.00 H new ATOM 0 HZ PHE B 47 -10.845 -2.968 8.394 1.00 0.00 H new ATOM 1445 N LEU B 48 -3.940 -3.736 9.820 1.00 0.00 N ATOM 1446 CA LEU B 48 -3.250 -3.429 8.535 1.00 0.00 C ATOM 1447 C LEU B 48 -2.936 -4.733 7.788 1.00 0.00 C ATOM 1448 O LEU B 48 -3.147 -4.845 6.597 1.00 0.00 O ATOM 1449 CB LEU B 48 -1.964 -2.703 8.941 1.00 0.00 C ATOM 1450 CG LEU B 48 -1.045 -2.551 7.724 1.00 0.00 C ATOM 1451 CD1 LEU B 48 -0.264 -1.241 7.831 1.00 0.00 C ATOM 1452 CD2 LEU B 48 -0.065 -3.726 7.683 1.00 0.00 C ATOM 0 H LEU B 48 -3.480 -3.375 10.656 1.00 0.00 H new ATOM 0 HA LEU B 48 -3.858 -2.821 7.865 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -2.204 -1.722 9.351 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -1.453 -3.261 9.726 1.00 0.00 H new ATOM 0 HG LEU B 48 -1.645 -2.540 6.814 1.00 0.00 H new ATOM 0 HD11 LEU B 48 0.389 -1.135 6.965 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -0.961 -0.404 7.865 1.00 0.00 H new ATOM 0 HD13 LEU B 48 0.338 -1.249 8.740 1.00 0.00 H new ATOM 0 HD21 LEU B 48 0.591 -3.623 6.819 1.00 0.00 H new ATOM 0 HD22 LEU B 48 0.533 -3.733 8.594 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -0.621 -4.661 7.607 1.00 0.00 H new ATOM 1464 N ARG B 49 -2.437 -5.717 8.480 1.00 0.00 N ATOM 1465 CA ARG B 49 -2.118 -7.006 7.806 1.00 0.00 C ATOM 1466 C ARG B 49 -3.380 -7.571 7.148 1.00 0.00 C ATOM 1467 O ARG B 49 -3.375 -7.947 5.992 1.00 0.00 O ATOM 1468 CB ARG B 49 -1.633 -7.932 8.925 1.00 0.00 C ATOM 1469 CG ARG B 49 -1.225 -9.283 8.332 1.00 0.00 C ATOM 1470 CD ARG B 49 -0.967 -10.281 9.463 1.00 0.00 C ATOM 1471 NE ARG B 49 -2.314 -10.794 9.840 1.00 0.00 N ATOM 1472 CZ ARG B 49 -2.422 -11.906 10.512 1.00 0.00 C ATOM 1473 NH1 ARG B 49 -1.573 -12.180 11.464 1.00 0.00 N ATOM 1474 NH2 ARG B 49 -3.380 -12.747 10.231 1.00 0.00 N ATOM 0 H ARG B 49 -2.237 -5.686 9.480 1.00 0.00 H new ATOM 0 HA ARG B 49 -1.368 -6.894 7.023 1.00 0.00 H new ATOM 0 HB2 ARG B 49 -0.787 -7.481 9.444 1.00 0.00 H new ATOM 0 HB3 ARG B 49 -2.422 -8.071 9.664 1.00 0.00 H new ATOM 0 HG2 ARG B 49 -2.011 -9.656 7.676 1.00 0.00 H new ATOM 0 HG3 ARG B 49 -0.329 -9.169 7.722 1.00 0.00 H new ATOM 0 HD2 ARG B 49 -0.315 -11.090 9.134 1.00 0.00 H new ATOM 0 HD3 ARG B 49 -0.477 -9.800 10.309 1.00 0.00 H new ATOM 0 HE ARG B 49 -3.151 -10.276 9.573 1.00 0.00 H new ATOM 0 HH11 ARG B 49 -0.824 -11.524 11.683 1.00 0.00 H new ATOM 0 HH12 ARG B 49 -1.659 -13.050 11.989 1.00 0.00 H new ATOM 0 HH21 ARG B 49 -4.043 -12.534 9.486 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -3.465 -13.617 10.756 1.00 0.00 H new ATOM 1488 N GLU B 50 -4.462 -7.628 7.876 1.00 0.00 N ATOM 1489 CA GLU B 50 -5.727 -8.166 7.293 1.00 0.00 C ATOM 1490 C GLU B 50 -6.440 -7.099 6.450 1.00 0.00 C ATOM 1491 O GLU B 50 -7.517 -7.326 5.935 1.00 0.00 O ATOM 1492 CB GLU B 50 -6.584 -8.548 8.501 1.00 0.00 C ATOM 1493 CG GLU B 50 -5.824 -9.551 9.372 1.00 0.00 C ATOM 1494 CD GLU B 50 -6.821 -10.409 10.152 1.00 0.00 C ATOM 1495 OE1 GLU B 50 -7.911 -10.624 9.646 1.00 0.00 O ATOM 1496 OE2 GLU B 50 -6.480 -10.835 11.243 1.00 0.00 O ATOM 0 H GLU B 50 -4.526 -7.326 8.848 1.00 0.00 H new ATOM 0 HA GLU B 50 -5.541 -9.011 6.631 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -6.829 -7.659 9.082 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -7.527 -8.981 8.168 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -5.193 -10.184 8.749 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -5.165 -9.024 10.061 1.00 0.00 H new ATOM 1503 N TYR B 51 -5.859 -5.939 6.305 1.00 0.00 N ATOM 1504 CA TYR B 51 -6.518 -4.872 5.496 1.00 0.00 C ATOM 1505 C TYR B 51 -6.163 -5.040 4.011 1.00 0.00 C ATOM 1506 O TYR B 51 -7.004 -5.357 3.195 1.00 0.00 O ATOM 1507 CB TYR B 51 -5.966 -3.554 6.063 1.00 0.00 C ATOM 1508 CG TYR B 51 -6.243 -2.408 5.113 1.00 0.00 C ATOM 1509 CD1 TYR B 51 -7.529 -1.826 5.055 1.00 0.00 C ATOM 1510 CD2 TYR B 51 -5.207 -1.919 4.284 1.00 0.00 C ATOM 1511 CE1 TYR B 51 -7.781 -0.755 4.167 1.00 0.00 C ATOM 1512 CE2 TYR B 51 -5.459 -0.848 3.396 1.00 0.00 C ATOM 1513 CZ TYR B 51 -6.745 -0.266 3.338 1.00 0.00 C ATOM 1514 OH TYR B 51 -6.992 0.778 2.471 1.00 0.00 O ATOM 0 H TYR B 51 -4.959 -5.684 6.710 1.00 0.00 H new ATOM 0 HA TYR B 51 -7.606 -4.907 5.555 1.00 0.00 H new ATOM 0 HB2 TYR B 51 -6.422 -3.349 7.031 1.00 0.00 H new ATOM 0 HB3 TYR B 51 -4.893 -3.645 6.229 1.00 0.00 H new ATOM 0 HD1 TYR B 51 -8.320 -2.199 5.689 1.00 0.00 H new ATOM 0 HD2 TYR B 51 -4.224 -2.363 4.329 1.00 0.00 H new ATOM 0 HE1 TYR B 51 -8.764 -0.311 4.122 1.00 0.00 H new ATOM 0 HE2 TYR B 51 -4.668 -0.475 2.762 1.00 0.00 H new ATOM 0 HH TYR B 51 -6.148 1.219 2.241 1.00 0.00 H new ATOM 1524 N PHE B 52 -4.926 -4.821 3.657 1.00 0.00 N ATOM 1525 CA PHE B 52 -4.529 -4.960 2.225 1.00 0.00 C ATOM 1526 C PHE B 52 -4.403 -6.437 1.841 1.00 0.00 C ATOM 1527 O PHE B 52 -4.591 -6.807 0.699 1.00 0.00 O ATOM 1528 CB PHE B 52 -3.174 -4.263 2.122 1.00 0.00 C ATOM 1529 CG PHE B 52 -3.136 -3.409 0.874 1.00 0.00 C ATOM 1530 CD1 PHE B 52 -3.162 -4.020 -0.401 1.00 0.00 C ATOM 1531 CD2 PHE B 52 -3.072 -2.002 0.984 1.00 0.00 C ATOM 1532 CE1 PHE B 52 -3.124 -3.222 -1.564 1.00 0.00 C ATOM 1533 CE2 PHE B 52 -3.034 -1.205 -0.182 1.00 0.00 C ATOM 1534 CZ PHE B 52 -3.060 -1.815 -1.455 1.00 0.00 C ATOM 0 H PHE B 52 -4.175 -4.553 4.293 1.00 0.00 H new ATOM 0 HA PHE B 52 -5.267 -4.524 1.552 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -3.004 -3.645 3.003 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -2.374 -5.003 2.093 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -3.211 -5.096 -0.484 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -3.052 -1.536 1.958 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -3.144 -3.687 -2.538 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -2.985 -0.129 -0.100 1.00 0.00 H new ATOM 0 HZ PHE B 52 -3.031 -1.206 -2.346 1.00 0.00 H new ATOM 1544 N GLU B 53 -4.087 -7.287 2.780 1.00 0.00 N ATOM 1545 CA GLU B 53 -3.951 -8.735 2.451 1.00 0.00 C ATOM 1546 C GLU B 53 -5.274 -9.282 1.907 1.00 0.00 C ATOM 1547 O GLU B 53 -5.297 -10.105 1.015 1.00 0.00 O ATOM 1548 CB GLU B 53 -3.595 -9.414 3.775 1.00 0.00 C ATOM 1549 CG GLU B 53 -3.463 -10.922 3.559 1.00 0.00 C ATOM 1550 CD GLU B 53 -4.711 -11.626 4.090 1.00 0.00 C ATOM 1551 OE1 GLU B 53 -5.787 -11.062 3.960 1.00 0.00 O ATOM 1552 OE2 GLU B 53 -4.574 -12.716 4.617 1.00 0.00 O ATOM 0 H GLU B 53 -3.918 -7.043 3.756 1.00 0.00 H new ATOM 0 HA GLU B 53 -3.195 -8.913 1.686 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -2.661 -9.009 4.163 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -4.365 -9.209 4.519 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -3.335 -11.138 2.498 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -2.576 -11.297 4.070 1.00 0.00 H new ATOM 1559 N LYS B 54 -6.378 -8.831 2.441 1.00 0.00 N ATOM 1560 CA LYS B 54 -7.697 -9.327 1.955 1.00 0.00 C ATOM 1561 C LYS B 54 -8.215 -8.449 0.811 1.00 0.00 C ATOM 1562 O LYS B 54 -9.068 -8.851 0.046 1.00 0.00 O ATOM 1563 CB LYS B 54 -8.624 -9.227 3.168 1.00 0.00 C ATOM 1564 CG LYS B 54 -9.774 -10.223 3.014 1.00 0.00 C ATOM 1565 CD LYS B 54 -9.558 -11.402 3.965 1.00 0.00 C ATOM 1566 CE LYS B 54 -10.623 -11.375 5.064 1.00 0.00 C ATOM 1567 NZ LYS B 54 -10.967 -12.804 5.300 1.00 0.00 N ATOM 0 H LYS B 54 -6.423 -8.142 3.191 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.635 -10.343 1.565 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -8.068 -9.435 4.082 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -9.016 -8.214 3.257 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -10.724 -9.735 3.233 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -9.827 -10.577 1.985 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -9.612 -12.341 3.415 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -8.563 -11.349 4.407 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -10.243 -10.905 5.971 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -11.498 -10.804 4.752 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -11.693 -12.868 6.042 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -11.332 -13.223 4.421 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -10.116 -13.321 5.602 1.00 0.00 H new ATOM 1581 N LEU B 55 -7.707 -7.252 0.688 1.00 0.00 N ATOM 1582 CA LEU B 55 -8.177 -6.354 -0.408 1.00 0.00 C ATOM 1583 C LEU B 55 -7.419 -6.652 -1.705 1.00 0.00 C ATOM 1584 O LEU B 55 -7.995 -6.706 -2.773 1.00 0.00 O ATOM 1585 CB LEU B 55 -7.869 -4.939 0.082 1.00 0.00 C ATOM 1586 CG LEU B 55 -9.152 -4.100 0.055 1.00 0.00 C ATOM 1587 CD1 LEU B 55 -9.024 -2.937 1.041 1.00 0.00 C ATOM 1588 CD2 LEU B 55 -9.370 -3.549 -1.356 1.00 0.00 C ATOM 0 H LEU B 55 -6.989 -6.858 1.296 1.00 0.00 H new ATOM 0 HA LEU B 55 -9.236 -6.490 -0.626 1.00 0.00 H new ATOM 0 HB2 LEU B 55 -7.465 -4.973 1.094 1.00 0.00 H new ATOM 0 HB3 LEU B 55 -7.108 -4.481 -0.550 1.00 0.00 H new ATOM 0 HG LEU B 55 -10.000 -4.724 0.338 1.00 0.00 H new ATOM 0 HD11 LEU B 55 -9.936 -2.341 1.021 1.00 0.00 H new ATOM 0 HD12 LEU B 55 -8.868 -3.328 2.046 1.00 0.00 H new ATOM 0 HD13 LEU B 55 -8.177 -2.312 0.759 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -10.282 -2.952 -1.377 1.00 0.00 H new ATOM 0 HD22 LEU B 55 -8.522 -2.925 -1.638 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -9.462 -4.376 -2.060 1.00 0.00 H new ATOM 1600 N GLU B 56 -6.130 -6.843 -1.621 1.00 0.00 N ATOM 1601 CA GLU B 56 -5.339 -7.136 -2.850 1.00 0.00 C ATOM 1602 C GLU B 56 -5.961 -8.305 -3.617 1.00 0.00 C ATOM 1603 O GLU B 56 -5.888 -8.376 -4.829 1.00 0.00 O ATOM 1604 CB GLU B 56 -3.945 -7.510 -2.344 1.00 0.00 C ATOM 1605 CG GLU B 56 -4.044 -8.750 -1.451 1.00 0.00 C ATOM 1606 CD GLU B 56 -2.659 -9.098 -0.906 1.00 0.00 C ATOM 1607 OE1 GLU B 56 -1.898 -8.181 -0.648 1.00 0.00 O ATOM 1608 OE2 GLU B 56 -2.384 -10.277 -0.755 1.00 0.00 O ATOM 0 H GLU B 56 -5.591 -6.809 -0.755 1.00 0.00 H new ATOM 0 HA GLU B 56 -5.312 -6.287 -3.534 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -3.281 -7.707 -3.186 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -3.514 -6.679 -1.785 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -4.734 -8.564 -0.628 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -4.444 -9.590 -2.019 1.00 0.00 H new ATOM 1615 N LYS B 57 -6.570 -9.222 -2.920 1.00 0.00 N ATOM 1616 CA LYS B 57 -7.199 -10.388 -3.605 1.00 0.00 C ATOM 1617 C LYS B 57 -8.657 -10.078 -3.968 1.00 0.00 C ATOM 1618 O LYS B 57 -9.284 -10.802 -4.715 1.00 0.00 O ATOM 1619 CB LYS B 57 -7.127 -11.532 -2.589 1.00 0.00 C ATOM 1620 CG LYS B 57 -7.913 -11.156 -1.330 1.00 0.00 C ATOM 1621 CD LYS B 57 -8.272 -12.426 -0.555 1.00 0.00 C ATOM 1622 CE LYS B 57 -9.783 -12.472 -0.318 1.00 0.00 C ATOM 1623 NZ LYS B 57 -10.262 -13.624 -1.132 1.00 0.00 N ATOM 0 H LYS B 57 -6.660 -9.216 -1.904 1.00 0.00 H new ATOM 0 HA LYS B 57 -6.692 -10.637 -4.537 1.00 0.00 H new ATOM 0 HB2 LYS B 57 -7.535 -12.444 -3.025 1.00 0.00 H new ATOM 0 HB3 LYS B 57 -6.088 -11.738 -2.332 1.00 0.00 H new ATOM 0 HG2 LYS B 57 -7.320 -10.490 -0.703 1.00 0.00 H new ATOM 0 HG3 LYS B 57 -8.819 -10.615 -1.602 1.00 0.00 H new ATOM 0 HD2 LYS B 57 -7.954 -13.307 -1.113 1.00 0.00 H new ATOM 0 HD3 LYS B 57 -7.743 -12.444 0.398 1.00 0.00 H new ATOM 0 HE2 LYS B 57 -10.013 -12.611 0.738 1.00 0.00 H new ATOM 0 HE3 LYS B 57 -10.260 -11.543 -0.629 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 -11.292 -13.722 -1.023 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 -10.034 -13.460 -2.133 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 -9.795 -14.495 -0.809 1.00 0.00 H new ATOM 1637 N GLU B 58 -9.203 -9.013 -3.446 1.00 0.00 N ATOM 1638 CA GLU B 58 -10.619 -8.667 -3.766 1.00 0.00 C ATOM 1639 C GLU B 58 -10.803 -8.520 -5.279 1.00 0.00 C ATOM 1640 O GLU B 58 -11.870 -8.753 -5.810 1.00 0.00 O ATOM 1641 CB GLU B 58 -10.864 -7.331 -3.065 1.00 0.00 C ATOM 1642 CG GLU B 58 -12.294 -6.861 -3.344 1.00 0.00 C ATOM 1643 CD GLU B 58 -12.598 -5.619 -2.504 1.00 0.00 C ATOM 1644 OE1 GLU B 58 -12.383 -5.673 -1.305 1.00 0.00 O ATOM 1645 OE2 GLU B 58 -13.041 -4.637 -3.076 1.00 0.00 O ATOM 0 H GLU B 58 -8.731 -8.368 -2.812 1.00 0.00 H new ATOM 0 HA GLU B 58 -11.316 -9.437 -3.437 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -10.708 -7.438 -1.991 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -10.150 -6.587 -3.418 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -12.413 -6.634 -4.403 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -13.002 -7.655 -3.107 1.00 0.00 H new