USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 646 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 37 ASN : amide:sc= -1.62! C(o=-1.4!,f=-5.3!) USER MOD Set 1.2: A 74 SER OG : rot -140:sc= 0.241 USER MOD Set 2.1: A 63 HIS : no HD1:sc= 0 K(o=-1.2,f=-0.14) USER MOD Set 2.2: A 67 ASN : amide:sc= -1.19! K(o=-1.2!,f=-0.14) USER MOD Set 3.1: A 41 THR OG1 : rot -97:sc= -0.462 USER MOD Set 3.2: A 75 CYS SG : rot 105:sc= 0.86 USER MOD Set 4.1: A 33 ASN : amide:sc= -2.83! K(o=-2.8!,f=-0.22) USER MOD Set 4.2: A 34 ASN : amide:sc= -0.0065 K(o=-2.8,f=-0.22) USER MOD Set 5.1: A 27 THR OG1 : rot -145:sc= -1.39! USER MOD Set 5.2: A 40 HIS : no HE2:sc= 0.0565 K(o=-1.3,f=-12!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc=-0.00364 K(o=-0.0036,f=-0.93) USER MOD Single : A 12 LYS NZ :NH3+ 159:sc= 0.627 (180deg=0.269) USER MOD Single : A 14 TYR OH : rot -69:sc= 0.164 USER MOD Single : A 20 ASN : amide:sc=-0.00205 X(o=-0.0021,f=-0.0021) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 28 TYR OH : rot -33:sc= 0.00133 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 174:sc= 0.538 (180deg=0.143) USER MOD Single : A 55 LYS NZ :NH3+ 165:sc= -0.0177 (180deg=-0.217) USER MOD Single : A 58 LYS NZ :NH3+ 166:sc= 1.28 (180deg=1.1) USER MOD Single : A 68 ASN : amide:sc= -0.155 X(o=-0.16,f=-0.0042) USER MOD Single : A 70 LYS NZ :NH3+ 159:sc= -0.102 (180deg=-0.52) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -144:sc= -0.0525 (180deg=-0.265) USER MOD Single : A 80 HIS : no HD1:sc= -0.0869 X(o=-0.087,f=-0.00064) USER MOD Single : A 81 MET CE :methyl 166:sc= -3.22 (180deg=-3.95!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 130:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.0472 X(o=-0.047,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= -0.0674 USER MOD ----------------------------------------------------------------- ATOM 64 N GLU A 5 17.314 -0.486 -6.724 1.00 0.00 N ATOM 65 CA GLU A 5 16.523 -1.585 -7.249 1.00 0.00 C ATOM 66 C GLU A 5 15.252 -1.740 -6.425 1.00 0.00 C ATOM 67 O GLU A 5 15.274 -1.563 -5.206 1.00 0.00 O ATOM 68 CB GLU A 5 17.348 -2.879 -7.223 1.00 0.00 C ATOM 69 CG GLU A 5 16.644 -4.082 -7.835 1.00 0.00 C ATOM 70 CD GLU A 5 17.538 -5.304 -7.910 1.00 0.00 C ATOM 71 OE1 GLU A 5 17.581 -6.079 -6.932 1.00 0.00 O ATOM 72 OE2 GLU A 5 18.214 -5.491 -8.949 1.00 0.00 O ATOM 0 HA GLU A 5 16.245 -1.374 -8.282 1.00 0.00 H new ATOM 0 HB2 GLU A 5 18.284 -2.710 -7.756 1.00 0.00 H new ATOM 0 HB3 GLU A 5 17.607 -3.111 -6.190 1.00 0.00 H new ATOM 0 HG2 GLU A 5 15.759 -4.319 -7.245 1.00 0.00 H new ATOM 0 HG3 GLU A 5 16.300 -3.826 -8.837 1.00 0.00 H new ATOM 79 N ILE A 6 14.148 -2.040 -7.100 1.00 0.00 N ATOM 80 CA ILE A 6 12.864 -2.214 -6.436 1.00 0.00 C ATOM 81 C ILE A 6 12.940 -3.334 -5.400 1.00 0.00 C ATOM 82 O ILE A 6 13.051 -4.511 -5.745 1.00 0.00 O ATOM 83 CB ILE A 6 11.744 -2.527 -7.451 1.00 0.00 C ATOM 84 CG1 ILE A 6 11.659 -1.420 -8.507 1.00 0.00 C ATOM 85 CG2 ILE A 6 10.412 -2.684 -6.731 1.00 0.00 C ATOM 86 CD1 ILE A 6 10.628 -1.680 -9.586 1.00 0.00 C ATOM 0 H ILE A 6 14.118 -2.168 -8.111 1.00 0.00 H new ATOM 0 HA ILE A 6 12.627 -1.275 -5.935 1.00 0.00 H new ATOM 0 HB ILE A 6 11.978 -3.465 -7.955 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.424 -0.477 -8.013 1.00 0.00 H new ATOM 0 HG13 ILE A 6 12.637 -1.300 -8.974 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.630 -2.905 -7.457 1.00 0.00 H new ATOM 0 HG22 ILE A 6 10.481 -3.501 -6.012 1.00 0.00 H new ATOM 0 HG23 ILE A 6 10.170 -1.759 -6.207 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.627 -0.853 -10.296 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.873 -2.605 -10.108 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.641 -1.769 -9.132 1.00 0.00 H new ATOM 98 N LYS A 7 12.893 -2.952 -4.135 1.00 0.00 N ATOM 99 CA LYS A 7 13.001 -3.902 -3.044 1.00 0.00 C ATOM 100 C LYS A 7 11.662 -4.600 -2.831 1.00 0.00 C ATOM 101 O LYS A 7 10.665 -3.960 -2.487 1.00 0.00 O ATOM 102 CB LYS A 7 13.435 -3.181 -1.767 1.00 0.00 C ATOM 103 CG LYS A 7 14.250 -4.040 -0.818 1.00 0.00 C ATOM 104 CD LYS A 7 15.649 -4.289 -1.356 1.00 0.00 C ATOM 105 CE LYS A 7 16.551 -4.882 -0.288 1.00 0.00 C ATOM 106 NZ LYS A 7 17.956 -5.002 -0.753 1.00 0.00 N ATOM 0 H LYS A 7 12.780 -1.983 -3.838 1.00 0.00 H new ATOM 0 HA LYS A 7 13.751 -4.652 -3.294 1.00 0.00 H new ATOM 0 HB2 LYS A 7 14.021 -2.303 -2.039 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.548 -2.823 -1.245 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.314 -3.550 0.154 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.744 -4.993 -0.662 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.598 -4.965 -2.209 1.00 0.00 H new ATOM 0 HD3 LYS A 7 16.075 -3.353 -1.716 1.00 0.00 H new ATOM 0 HE2 LYS A 7 16.516 -4.257 0.604 1.00 0.00 H new ATOM 0 HE3 LYS A 7 16.178 -5.866 -0.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 18.539 -5.411 0.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.993 -5.619 -1.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 18.321 -4.060 -1.001 1.00 0.00 H new ATOM 120 N GLN A 8 11.640 -5.903 -3.054 1.00 0.00 N ATOM 121 CA GLN A 8 10.411 -6.674 -2.952 1.00 0.00 C ATOM 122 C GLN A 8 10.227 -7.220 -1.543 1.00 0.00 C ATOM 123 O GLN A 8 11.086 -7.935 -1.025 1.00 0.00 O ATOM 124 CB GLN A 8 10.425 -7.820 -3.959 1.00 0.00 C ATOM 125 CG GLN A 8 10.520 -7.350 -5.398 1.00 0.00 C ATOM 126 CD GLN A 8 10.669 -8.494 -6.378 1.00 0.00 C ATOM 127 OE1 GLN A 8 9.681 -9.023 -6.887 1.00 0.00 O ATOM 128 NE2 GLN A 8 11.902 -8.886 -6.642 1.00 0.00 N ATOM 0 H GLN A 8 12.462 -6.451 -3.308 1.00 0.00 H new ATOM 0 HA GLN A 8 9.574 -6.012 -3.175 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.268 -8.476 -3.741 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.519 -8.414 -3.837 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.627 -6.777 -5.648 1.00 0.00 H new ATOM 0 HG3 GLN A 8 11.371 -6.676 -5.500 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.692 -8.419 -6.197 1.00 0.00 H new ATOM 0 HE22 GLN A 8 12.064 -9.656 -7.291 1.00 0.00 H new ATOM 137 N GLY A 9 9.104 -6.875 -0.934 1.00 0.00 N ATOM 138 CA GLY A 9 8.808 -7.340 0.405 1.00 0.00 C ATOM 139 C GLY A 9 7.432 -7.969 0.498 1.00 0.00 C ATOM 140 O GLY A 9 6.816 -8.278 -0.524 1.00 0.00 O ATOM 0 H GLY A 9 8.387 -6.277 -1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 9 9.560 -8.067 0.710 1.00 0.00 H new ATOM 0 HA3 GLY A 9 8.872 -6.504 1.101 1.00 0.00 H new ATOM 144 N GLU A 10 6.955 -8.153 1.724 1.00 0.00 N ATOM 145 CA GLU A 10 5.651 -8.761 1.981 1.00 0.00 C ATOM 146 C GLU A 10 4.536 -7.940 1.341 1.00 0.00 C ATOM 147 O GLU A 10 4.088 -6.945 1.911 1.00 0.00 O ATOM 148 CB GLU A 10 5.372 -8.871 3.489 1.00 0.00 C ATOM 149 CG GLU A 10 6.592 -9.175 4.352 1.00 0.00 C ATOM 150 CD GLU A 10 7.435 -7.944 4.616 1.00 0.00 C ATOM 151 OE1 GLU A 10 7.106 -7.173 5.537 1.00 0.00 O ATOM 152 OE2 GLU A 10 8.410 -7.721 3.869 1.00 0.00 O ATOM 0 H GLU A 10 7.460 -7.886 2.569 1.00 0.00 H new ATOM 0 HA GLU A 10 5.674 -9.760 1.545 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.929 -7.935 3.830 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.629 -9.652 3.649 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.265 -9.599 5.302 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.203 -9.931 3.859 1.00 0.00 H new ATOM 159 N ASN A 11 4.128 -8.347 0.140 1.00 0.00 N ATOM 160 CA ASN A 11 3.027 -7.702 -0.588 1.00 0.00 C ATOM 161 C ASN A 11 3.285 -6.211 -0.805 1.00 0.00 C ATOM 162 O ASN A 11 2.353 -5.437 -1.033 1.00 0.00 O ATOM 163 CB ASN A 11 1.697 -7.902 0.154 1.00 0.00 C ATOM 164 CG ASN A 11 1.254 -9.354 0.174 1.00 0.00 C ATOM 165 OD1 ASN A 11 1.565 -10.124 -0.739 1.00 0.00 O ATOM 166 ND2 ASN A 11 0.526 -9.744 1.211 1.00 0.00 N ATOM 0 H ASN A 11 4.548 -9.132 -0.358 1.00 0.00 H new ATOM 0 HA ASN A 11 2.966 -8.177 -1.567 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.799 -7.543 1.178 1.00 0.00 H new ATOM 0 HB3 ASN A 11 0.925 -7.297 -0.321 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.203 -10.710 1.273 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.289 -9.079 1.947 1.00 0.00 H new ATOM 173 N LYS A 12 4.552 -5.811 -0.773 1.00 0.00 N ATOM 174 CA LYS A 12 4.890 -4.405 -0.899 1.00 0.00 C ATOM 175 C LYS A 12 6.163 -4.213 -1.712 1.00 0.00 C ATOM 176 O LYS A 12 7.084 -5.030 -1.651 1.00 0.00 O ATOM 177 CB LYS A 12 5.048 -3.762 0.487 1.00 0.00 C ATOM 178 CG LYS A 12 6.305 -4.175 1.246 1.00 0.00 C ATOM 179 CD LYS A 12 6.387 -3.469 2.592 1.00 0.00 C ATOM 180 CE LYS A 12 7.754 -3.633 3.247 1.00 0.00 C ATOM 181 NZ LYS A 12 8.023 -5.032 3.679 1.00 0.00 N ATOM 0 H LYS A 12 5.351 -6.435 -0.662 1.00 0.00 H new ATOM 0 HA LYS A 12 4.072 -3.914 -1.426 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.051 -2.678 0.371 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.177 -4.016 1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.305 -5.254 1.397 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.187 -3.937 0.652 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.176 -2.408 2.457 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.618 -3.865 3.255 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.528 -3.319 2.546 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.819 -2.972 4.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.048 -5.173 3.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.557 -5.209 4.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.652 -5.693 2.967 1.00 0.00 H new ATOM 195 N PHE A 13 6.191 -3.143 -2.487 1.00 0.00 N ATOM 196 CA PHE A 13 7.393 -2.732 -3.194 1.00 0.00 C ATOM 197 C PHE A 13 7.861 -1.407 -2.622 1.00 0.00 C ATOM 198 O PHE A 13 7.073 -0.468 -2.507 1.00 0.00 O ATOM 199 CB PHE A 13 7.130 -2.588 -4.698 1.00 0.00 C ATOM 200 CG PHE A 13 6.721 -3.864 -5.378 1.00 0.00 C ATOM 201 CD1 PHE A 13 7.534 -4.986 -5.331 1.00 0.00 C ATOM 202 CD2 PHE A 13 5.523 -3.939 -6.069 1.00 0.00 C ATOM 203 CE1 PHE A 13 7.160 -6.156 -5.961 1.00 0.00 C ATOM 204 CE2 PHE A 13 5.144 -5.107 -6.702 1.00 0.00 C ATOM 205 CZ PHE A 13 5.962 -6.218 -6.646 1.00 0.00 C ATOM 0 H PHE A 13 5.386 -2.537 -2.644 1.00 0.00 H new ATOM 0 HA PHE A 13 8.161 -3.494 -3.063 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.349 -1.843 -4.849 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.031 -2.207 -5.178 1.00 0.00 H new ATOM 0 HD1 PHE A 13 8.471 -4.944 -4.795 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.878 -3.074 -6.113 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.804 -7.022 -5.918 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.209 -5.151 -7.240 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.666 -7.133 -7.137 1.00 0.00 H new ATOM 215 N TYR A 14 9.122 -1.324 -2.244 1.00 0.00 N ATOM 216 CA TYR A 14 9.623 -0.121 -1.605 1.00 0.00 C ATOM 217 C TYR A 14 11.038 0.205 -2.052 1.00 0.00 C ATOM 218 O TYR A 14 11.776 -0.667 -2.509 1.00 0.00 O ATOM 219 CB TYR A 14 9.559 -0.257 -0.075 1.00 0.00 C ATOM 220 CG TYR A 14 10.352 -1.417 0.489 1.00 0.00 C ATOM 221 CD1 TYR A 14 9.864 -2.717 0.427 1.00 0.00 C ATOM 222 CD2 TYR A 14 11.585 -1.209 1.095 1.00 0.00 C ATOM 223 CE1 TYR A 14 10.585 -3.774 0.945 1.00 0.00 C ATOM 224 CE2 TYR A 14 12.311 -2.262 1.616 1.00 0.00 C ATOM 225 CZ TYR A 14 11.804 -3.540 1.540 1.00 0.00 C ATOM 226 OH TYR A 14 12.525 -4.592 2.053 1.00 0.00 O ATOM 0 H TYR A 14 9.812 -2.065 -2.366 1.00 0.00 H new ATOM 0 HA TYR A 14 8.982 0.706 -1.912 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.923 0.667 0.374 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.516 -0.368 0.223 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.905 -2.903 -0.034 1.00 0.00 H new ATOM 0 HD2 TYR A 14 11.982 -0.207 1.160 1.00 0.00 H new ATOM 0 HE1 TYR A 14 10.195 -4.779 0.884 1.00 0.00 H new ATOM 0 HE2 TYR A 14 13.270 -2.084 2.080 1.00 0.00 H new ATOM 0 HH TYR A 14 12.071 -4.943 2.847 1.00 0.00 H new ATOM 236 N ILE A 15 11.390 1.474 -1.936 1.00 0.00 N ATOM 237 CA ILE A 15 12.729 1.943 -2.247 1.00 0.00 C ATOM 238 C ILE A 15 13.258 2.785 -1.091 1.00 0.00 C ATOM 239 O ILE A 15 12.587 3.708 -0.627 1.00 0.00 O ATOM 240 CB ILE A 15 12.751 2.764 -3.562 1.00 0.00 C ATOM 241 CG1 ILE A 15 12.461 1.849 -4.757 1.00 0.00 C ATOM 242 CG2 ILE A 15 14.085 3.478 -3.743 1.00 0.00 C ATOM 243 CD1 ILE A 15 12.465 2.562 -6.091 1.00 0.00 C ATOM 0 H ILE A 15 10.755 2.208 -1.623 1.00 0.00 H new ATOM 0 HA ILE A 15 13.371 1.074 -2.389 1.00 0.00 H new ATOM 0 HB ILE A 15 11.973 3.525 -3.504 1.00 0.00 H new ATOM 0 HG12 ILE A 15 13.204 1.052 -4.780 1.00 0.00 H new ATOM 0 HG13 ILE A 15 11.490 1.376 -4.612 1.00 0.00 H new ATOM 0 HG21 ILE A 15 14.071 4.045 -4.674 1.00 0.00 H new ATOM 0 HG22 ILE A 15 14.251 4.157 -2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 15 14.889 2.743 -3.779 1.00 0.00 H new ATOM 0 HD11 ILE A 15 12.252 1.847 -6.886 1.00 0.00 H new ATOM 0 HD12 ILE A 15 11.703 3.341 -6.089 1.00 0.00 H new ATOM 0 HD13 ILE A 15 13.443 3.012 -6.260 1.00 0.00 H new ATOM 255 N GLY A 16 14.448 2.451 -0.617 1.00 0.00 N ATOM 256 CA GLY A 16 15.033 3.164 0.500 1.00 0.00 C ATOM 257 C GLY A 16 16.378 2.594 0.883 1.00 0.00 C ATOM 258 O GLY A 16 16.923 1.751 0.167 1.00 0.00 O ATOM 0 H GLY A 16 15.023 1.694 -0.988 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.144 4.217 0.242 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.360 3.115 1.356 1.00 0.00 H new ATOM 262 N ASP A 17 16.915 3.035 2.010 1.00 0.00 N ATOM 263 CA ASP A 17 18.224 2.569 2.459 1.00 0.00 C ATOM 264 C ASP A 17 18.078 1.288 3.275 1.00 0.00 C ATOM 265 O ASP A 17 18.963 0.434 3.282 1.00 0.00 O ATOM 266 CB ASP A 17 18.919 3.657 3.278 1.00 0.00 C ATOM 267 CG ASP A 17 20.375 3.339 3.555 1.00 0.00 C ATOM 268 OD1 ASP A 17 21.071 2.875 2.628 1.00 0.00 O ATOM 269 OD2 ASP A 17 20.838 3.578 4.688 1.00 0.00 O ATOM 0 H ASP A 17 16.470 3.712 2.630 1.00 0.00 H new ATOM 0 HA ASP A 17 18.839 2.350 1.586 1.00 0.00 H new ATOM 0 HB2 ASP A 17 18.853 4.605 2.745 1.00 0.00 H new ATOM 0 HB3 ASP A 17 18.393 3.786 4.224 1.00 0.00 H new ATOM 274 N ASP A 18 16.941 1.159 3.948 1.00 0.00 N ATOM 275 CA ASP A 18 16.603 -0.043 4.708 1.00 0.00 C ATOM 276 C ASP A 18 15.098 -0.068 4.949 1.00 0.00 C ATOM 277 O ASP A 18 14.444 0.967 4.839 1.00 0.00 O ATOM 278 CB ASP A 18 17.368 -0.077 6.038 1.00 0.00 C ATOM 279 CG ASP A 18 17.012 -1.278 6.894 1.00 0.00 C ATOM 280 OD1 ASP A 18 17.264 -2.422 6.464 1.00 0.00 O ATOM 281 OD2 ASP A 18 16.456 -1.082 7.994 1.00 0.00 O ATOM 0 H ASP A 18 16.225 1.885 3.984 1.00 0.00 H new ATOM 0 HA ASP A 18 16.893 -0.926 4.139 1.00 0.00 H new ATOM 0 HB2 ASP A 18 18.439 -0.087 5.835 1.00 0.00 H new ATOM 0 HB3 ASP A 18 17.157 0.835 6.596 1.00 0.00 H new ATOM 286 N GLU A 19 14.546 -1.236 5.272 1.00 0.00 N ATOM 287 CA GLU A 19 13.100 -1.375 5.458 1.00 0.00 C ATOM 288 C GLU A 19 12.624 -0.638 6.714 1.00 0.00 C ATOM 289 O GLU A 19 11.429 -0.388 6.885 1.00 0.00 O ATOM 290 CB GLU A 19 12.702 -2.855 5.529 1.00 0.00 C ATOM 291 CG GLU A 19 11.193 -3.074 5.532 1.00 0.00 C ATOM 292 CD GLU A 19 10.793 -4.534 5.529 1.00 0.00 C ATOM 293 OE1 GLU A 19 10.655 -5.121 6.623 1.00 0.00 O ATOM 294 OE2 GLU A 19 10.583 -5.093 4.434 1.00 0.00 O ATOM 0 H GLU A 19 15.074 -2.098 5.410 1.00 0.00 H new ATOM 0 HA GLU A 19 12.613 -0.921 4.595 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.137 -3.382 4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.128 -3.296 6.430 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.766 -2.591 6.411 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.762 -2.586 4.658 1.00 0.00 H new ATOM 301 N ASN A 20 13.563 -0.279 7.585 1.00 0.00 N ATOM 302 CA ASN A 20 13.233 0.473 8.792 1.00 0.00 C ATOM 303 C ASN A 20 12.902 1.923 8.446 1.00 0.00 C ATOM 304 O ASN A 20 12.310 2.646 9.246 1.00 0.00 O ATOM 305 CB ASN A 20 14.392 0.416 9.797 1.00 0.00 C ATOM 306 CG ASN A 20 14.036 1.032 11.142 1.00 0.00 C ATOM 307 OD1 ASN A 20 13.448 0.372 12.000 1.00 0.00 O ATOM 308 ND2 ASN A 20 14.416 2.282 11.351 1.00 0.00 N ATOM 0 H ASN A 20 14.554 -0.495 7.479 1.00 0.00 H new ATOM 0 HA ASN A 20 12.355 0.017 9.250 1.00 0.00 H new ATOM 0 HB2 ASN A 20 14.688 -0.623 9.945 1.00 0.00 H new ATOM 0 HB3 ASN A 20 15.254 0.937 9.381 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.224 2.730 12.247 1.00 0.00 H new ATOM 0 HD22 ASN A 20 14.901 2.797 10.616 1.00 0.00 H new ATOM 315 N ASN A 21 13.268 2.338 7.240 1.00 0.00 N ATOM 316 CA ASN A 21 13.036 3.704 6.795 1.00 0.00 C ATOM 317 C ASN A 21 13.132 3.781 5.280 1.00 0.00 C ATOM 318 O ASN A 21 14.164 4.168 4.722 1.00 0.00 O ATOM 319 CB ASN A 21 14.031 4.677 7.437 1.00 0.00 C ATOM 320 CG ASN A 21 13.717 6.128 7.108 1.00 0.00 C ATOM 321 OD1 ASN A 21 12.558 6.501 6.916 1.00 0.00 O ATOM 322 ND2 ASN A 21 14.748 6.956 7.049 1.00 0.00 N ATOM 0 H ASN A 21 13.729 1.744 6.550 1.00 0.00 H new ATOM 0 HA ASN A 21 12.033 3.995 7.108 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.021 4.542 8.519 1.00 0.00 H new ATOM 0 HB3 ASN A 21 15.039 4.440 7.096 1.00 0.00 H new ATOM 0 HD21 ASN A 21 14.598 7.943 6.838 1.00 0.00 H new ATOM 0 HD22 ASN A 21 15.692 6.607 7.214 1.00 0.00 H new ATOM 329 N ALA A 22 12.074 3.348 4.619 1.00 0.00 N ATOM 330 CA ALA A 22 11.990 3.434 3.171 1.00 0.00 C ATOM 331 C ALA A 22 11.558 4.833 2.754 1.00 0.00 C ATOM 332 O ALA A 22 10.837 5.514 3.485 1.00 0.00 O ATOM 333 CB ALA A 22 11.029 2.389 2.622 1.00 0.00 C ATOM 0 H ALA A 22 11.256 2.931 5.064 1.00 0.00 H new ATOM 0 HA ALA A 22 12.977 3.235 2.754 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.982 2.472 1.536 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.379 1.394 2.895 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.036 2.552 3.041 1.00 0.00 H new ATOM 339 N LEU A 23 12.003 5.261 1.583 1.00 0.00 N ATOM 340 CA LEU A 23 11.659 6.581 1.076 1.00 0.00 C ATOM 341 C LEU A 23 10.272 6.546 0.452 1.00 0.00 C ATOM 342 O LEU A 23 9.590 7.566 0.363 1.00 0.00 O ATOM 343 CB LEU A 23 12.693 7.040 0.042 1.00 0.00 C ATOM 344 CG LEU A 23 14.135 7.120 0.552 1.00 0.00 C ATOM 345 CD1 LEU A 23 15.079 7.503 -0.576 1.00 0.00 C ATOM 346 CD2 LEU A 23 14.245 8.113 1.702 1.00 0.00 C ATOM 0 H LEU A 23 12.603 4.714 0.966 1.00 0.00 H new ATOM 0 HA LEU A 23 11.660 7.290 1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.662 6.357 -0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.401 8.022 -0.329 1.00 0.00 H new ATOM 0 HG LEU A 23 14.422 6.136 0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 23 16.099 7.555 -0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 23 15.025 6.754 -1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 23 14.791 8.475 -0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.277 8.155 2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.937 9.101 1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 23 13.599 7.795 2.520 1.00 0.00 H new ATOM 358 N ALA A 24 9.868 5.358 0.022 1.00 0.00 N ATOM 359 CA ALA A 24 8.550 5.149 -0.553 1.00 0.00 C ATOM 360 C ALA A 24 8.211 3.666 -0.566 1.00 0.00 C ATOM 361 O ALA A 24 8.995 2.850 -1.054 1.00 0.00 O ATOM 362 CB ALA A 24 8.479 5.718 -1.963 1.00 0.00 C ATOM 0 H ALA A 24 10.443 4.517 0.062 1.00 0.00 H new ATOM 0 HA ALA A 24 7.820 5.672 0.064 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.483 5.550 -2.373 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.684 6.788 -1.934 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.219 5.224 -2.592 1.00 0.00 H new ATOM 368 N GLU A 25 7.062 3.320 -0.006 1.00 0.00 N ATOM 369 CA GLU A 25 6.581 1.947 -0.023 1.00 0.00 C ATOM 370 C GLU A 25 5.148 1.895 -0.543 1.00 0.00 C ATOM 371 O GLU A 25 4.274 2.616 -0.061 1.00 0.00 O ATOM 372 CB GLU A 25 6.658 1.321 1.380 1.00 0.00 C ATOM 373 CG GLU A 25 5.843 2.059 2.435 1.00 0.00 C ATOM 374 CD GLU A 25 5.848 1.358 3.777 1.00 0.00 C ATOM 375 OE1 GLU A 25 6.738 1.649 4.607 1.00 0.00 O ATOM 376 OE2 GLU A 25 4.951 0.521 4.015 1.00 0.00 O ATOM 0 H GLU A 25 6.442 3.976 0.469 1.00 0.00 H new ATOM 0 HA GLU A 25 7.221 1.371 -0.691 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.312 0.289 1.325 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.701 1.291 1.696 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.241 3.067 2.555 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.815 2.161 2.087 1.00 0.00 H new ATOM 383 N ILE A 26 4.910 1.062 -1.539 1.00 0.00 N ATOM 384 CA ILE A 26 3.567 0.883 -2.063 1.00 0.00 C ATOM 385 C ILE A 26 3.082 -0.533 -1.778 1.00 0.00 C ATOM 386 O ILE A 26 3.758 -1.511 -2.105 1.00 0.00 O ATOM 387 CB ILE A 26 3.485 1.195 -3.581 1.00 0.00 C ATOM 388 CG1 ILE A 26 2.046 1.041 -4.083 1.00 0.00 C ATOM 389 CG2 ILE A 26 4.434 0.310 -4.383 1.00 0.00 C ATOM 390 CD1 ILE A 26 1.858 1.453 -5.529 1.00 0.00 C ATOM 0 H ILE A 26 5.625 0.500 -2.001 1.00 0.00 H new ATOM 0 HA ILE A 26 2.916 1.595 -1.556 1.00 0.00 H new ATOM 0 HB ILE A 26 3.795 2.230 -3.727 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.740 0.001 -3.968 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.386 1.639 -3.455 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.352 0.554 -5.442 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.458 0.479 -4.050 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.171 -0.737 -4.231 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.815 1.316 -5.814 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.132 2.501 -5.647 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.492 0.838 -6.168 1.00 0.00 H new ATOM 402 N THR A 27 1.934 -0.639 -1.131 1.00 0.00 N ATOM 403 CA THR A 27 1.387 -1.932 -0.777 1.00 0.00 C ATOM 404 C THR A 27 0.160 -2.244 -1.616 1.00 0.00 C ATOM 405 O THR A 27 -0.686 -1.376 -1.841 1.00 0.00 O ATOM 406 CB THR A 27 1.019 -1.996 0.718 1.00 0.00 C ATOM 407 OG1 THR A 27 0.101 -0.945 1.054 1.00 0.00 O ATOM 408 CG2 THR A 27 2.262 -1.880 1.588 1.00 0.00 C ATOM 0 H THR A 27 1.365 0.156 -0.841 1.00 0.00 H new ATOM 0 HA THR A 27 2.158 -2.676 -0.977 1.00 0.00 H new ATOM 0 HB THR A 27 0.547 -2.961 0.904 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.283 -0.631 1.964 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.976 -1.928 2.639 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.944 -2.699 1.360 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.758 -0.930 1.390 1.00 0.00 H new ATOM 416 N TYR A 28 0.066 -3.476 -2.080 1.00 0.00 N ATOM 417 CA TYR A 28 -1.057 -3.893 -2.897 1.00 0.00 C ATOM 418 C TYR A 28 -1.530 -5.267 -2.457 1.00 0.00 C ATOM 419 O TYR A 28 -0.732 -6.091 -2.009 1.00 0.00 O ATOM 420 CB TYR A 28 -0.672 -3.913 -4.384 1.00 0.00 C ATOM 421 CG TYR A 28 0.280 -5.028 -4.765 1.00 0.00 C ATOM 422 CD1 TYR A 28 1.638 -4.937 -4.491 1.00 0.00 C ATOM 423 CD2 TYR A 28 -0.184 -6.173 -5.400 1.00 0.00 C ATOM 424 CE1 TYR A 28 2.507 -5.954 -4.838 1.00 0.00 C ATOM 425 CE2 TYR A 28 0.677 -7.196 -5.749 1.00 0.00 C ATOM 426 CZ TYR A 28 2.020 -7.082 -5.467 1.00 0.00 C ATOM 427 OH TYR A 28 2.883 -8.101 -5.817 1.00 0.00 O ATOM 0 H TYR A 28 0.756 -4.207 -1.904 1.00 0.00 H new ATOM 0 HA TYR A 28 -1.868 -3.177 -2.767 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.579 -4.005 -4.981 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.216 -2.957 -4.642 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.022 -4.056 -3.998 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.236 -6.265 -5.625 1.00 0.00 H new ATOM 0 HE1 TYR A 28 3.561 -5.867 -4.618 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.299 -8.080 -6.240 1.00 0.00 H new ATOM 0 HH TYR A 28 3.756 -7.724 -6.054 1.00 0.00 H new ATOM 437 N ARG A 29 -2.824 -5.506 -2.570 1.00 0.00 N ATOM 438 CA ARG A 29 -3.394 -6.785 -2.183 1.00 0.00 C ATOM 439 C ARG A 29 -4.678 -7.062 -2.951 1.00 0.00 C ATOM 440 O ARG A 29 -5.389 -6.137 -3.348 1.00 0.00 O ATOM 441 CB ARG A 29 -3.656 -6.817 -0.676 1.00 0.00 C ATOM 442 CG ARG A 29 -4.368 -5.581 -0.154 1.00 0.00 C ATOM 443 CD ARG A 29 -4.755 -5.737 1.304 1.00 0.00 C ATOM 444 NE ARG A 29 -5.685 -6.846 1.497 1.00 0.00 N ATOM 445 CZ ARG A 29 -6.963 -6.696 1.831 1.00 0.00 C ATOM 446 NH1 ARG A 29 -7.457 -5.482 2.058 1.00 0.00 N ATOM 447 NH2 ARG A 29 -7.748 -7.761 1.934 1.00 0.00 N ATOM 0 H ARG A 29 -3.501 -4.831 -2.927 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.675 -7.567 -2.430 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.254 -7.697 -0.439 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.706 -6.926 -0.153 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.721 -4.711 -0.269 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.261 -5.395 -0.751 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.860 -5.904 1.903 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.210 -4.813 1.661 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.332 -7.794 1.368 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.855 -4.663 1.976 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.438 -5.370 2.314 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.370 -8.692 1.757 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.729 -7.649 2.190 1.00 0.00 H new ATOM 461 N PHE A 30 -4.954 -8.339 -3.172 1.00 0.00 N ATOM 462 CA PHE A 30 -6.162 -8.760 -3.865 1.00 0.00 C ATOM 463 C PHE A 30 -7.324 -8.798 -2.883 1.00 0.00 C ATOM 464 O PHE A 30 -7.267 -9.508 -1.878 1.00 0.00 O ATOM 465 CB PHE A 30 -5.969 -10.150 -4.487 1.00 0.00 C ATOM 466 CG PHE A 30 -4.829 -10.240 -5.464 1.00 0.00 C ATOM 467 CD1 PHE A 30 -3.529 -10.439 -5.022 1.00 0.00 C ATOM 468 CD2 PHE A 30 -5.057 -10.137 -6.827 1.00 0.00 C ATOM 469 CE1 PHE A 30 -2.481 -10.527 -5.918 1.00 0.00 C ATOM 470 CE2 PHE A 30 -4.012 -10.225 -7.728 1.00 0.00 C ATOM 471 CZ PHE A 30 -2.723 -10.420 -7.272 1.00 0.00 C ATOM 0 H PHE A 30 -4.351 -9.108 -2.878 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.376 -8.047 -4.661 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.805 -10.873 -3.688 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.890 -10.439 -4.994 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.334 -10.526 -3.963 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.063 -9.986 -7.190 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.474 -10.679 -5.559 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.204 -10.141 -8.788 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.906 -10.489 -7.974 1.00 0.00 H new ATOM 481 N VAL A 31 -8.368 -8.029 -3.156 1.00 0.00 N ATOM 482 CA VAL A 31 -9.518 -7.994 -2.263 1.00 0.00 C ATOM 483 C VAL A 31 -10.507 -9.109 -2.577 1.00 0.00 C ATOM 484 O VAL A 31 -11.034 -9.741 -1.663 1.00 0.00 O ATOM 485 CB VAL A 31 -10.248 -6.633 -2.282 1.00 0.00 C ATOM 486 CG1 VAL A 31 -9.432 -5.582 -1.554 1.00 0.00 C ATOM 487 CG2 VAL A 31 -10.538 -6.183 -3.703 1.00 0.00 C ATOM 0 H VAL A 31 -8.444 -7.428 -3.977 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.117 -8.145 -1.261 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.200 -6.759 -1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.962 -4.630 -1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.283 -5.889 -0.519 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.464 -5.471 -2.042 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.052 -5.222 -3.683 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.601 -6.082 -4.251 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.169 -6.922 -4.197 1.00 0.00 H new ATOM 497 N ASP A 32 -10.759 -9.356 -3.861 1.00 0.00 N ATOM 498 CA ASP A 32 -11.701 -10.402 -4.253 1.00 0.00 C ATOM 499 C ASP A 32 -11.260 -11.102 -5.533 1.00 0.00 C ATOM 500 O ASP A 32 -10.621 -12.151 -5.483 1.00 0.00 O ATOM 501 CB ASP A 32 -13.119 -9.843 -4.434 1.00 0.00 C ATOM 502 CG ASP A 32 -13.728 -9.323 -3.147 1.00 0.00 C ATOM 503 OD1 ASP A 32 -14.188 -10.143 -2.326 1.00 0.00 O ATOM 504 OD2 ASP A 32 -13.749 -8.089 -2.956 1.00 0.00 O ATOM 0 H ASP A 32 -10.330 -8.854 -4.638 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.713 -11.131 -3.443 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.093 -9.037 -5.167 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.761 -10.624 -4.842 1.00 0.00 H new ATOM 509 N ASN A 33 -11.580 -10.516 -6.683 1.00 0.00 N ATOM 510 CA ASN A 33 -11.359 -11.196 -7.956 1.00 0.00 C ATOM 511 C ASN A 33 -10.158 -10.615 -8.701 1.00 0.00 C ATOM 512 O ASN A 33 -9.074 -11.186 -8.674 1.00 0.00 O ATOM 513 CB ASN A 33 -12.618 -11.108 -8.826 1.00 0.00 C ATOM 514 CG ASN A 33 -12.654 -12.136 -9.948 1.00 0.00 C ATOM 515 OD1 ASN A 33 -13.728 -12.537 -10.392 1.00 0.00 O ATOM 516 ND2 ASN A 33 -11.493 -12.581 -10.412 1.00 0.00 N ATOM 0 H ASN A 33 -11.988 -9.584 -6.761 1.00 0.00 H new ATOM 0 HA ASN A 33 -11.143 -12.243 -7.744 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -13.496 -11.240 -8.194 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.683 -10.109 -9.257 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -11.475 -13.276 -11.158 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -10.619 -12.228 -10.022 1.00 0.00 H new ATOM 523 N ASN A 34 -10.358 -9.489 -9.377 1.00 0.00 N ATOM 524 CA ASN A 34 -9.295 -8.868 -10.165 1.00 0.00 C ATOM 525 C ASN A 34 -8.937 -7.527 -9.561 1.00 0.00 C ATOM 526 O ASN A 34 -8.124 -6.778 -10.099 1.00 0.00 O ATOM 527 CB ASN A 34 -9.727 -8.656 -11.622 1.00 0.00 C ATOM 528 CG ASN A 34 -10.152 -9.933 -12.318 1.00 0.00 C ATOM 529 OD1 ASN A 34 -9.323 -10.671 -12.852 1.00 0.00 O ATOM 530 ND2 ASN A 34 -11.453 -10.188 -12.346 1.00 0.00 N ATOM 0 H ASN A 34 -11.245 -8.986 -9.396 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.434 -9.536 -10.152 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -10.553 -7.945 -11.648 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -8.902 -8.207 -12.176 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.799 -11.021 -12.822 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -12.107 -9.551 -11.891 1.00 0.00 H new ATOM 537 N GLU A 35 -9.556 -7.236 -8.435 1.00 0.00 N ATOM 538 CA GLU A 35 -9.428 -5.941 -7.804 1.00 0.00 C ATOM 539 C GLU A 35 -8.253 -5.936 -6.835 1.00 0.00 C ATOM 540 O GLU A 35 -8.233 -6.696 -5.861 1.00 0.00 O ATOM 541 CB GLU A 35 -10.718 -5.569 -7.054 1.00 0.00 C ATOM 542 CG GLU A 35 -12.004 -5.782 -7.848 1.00 0.00 C ATOM 543 CD GLU A 35 -12.393 -7.244 -7.967 1.00 0.00 C ATOM 544 OE1 GLU A 35 -12.683 -7.874 -6.929 1.00 0.00 O ATOM 545 OE2 GLU A 35 -12.401 -7.776 -9.097 1.00 0.00 O ATOM 0 H GLU A 35 -10.159 -7.888 -7.934 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.251 -5.202 -8.585 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.772 -6.157 -6.138 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.660 -4.522 -6.757 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.815 -5.234 -7.369 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.882 -5.362 -8.846 1.00 0.00 H new ATOM 552 N ILE A 36 -7.271 -5.096 -7.114 1.00 0.00 N ATOM 553 CA ILE A 36 -6.150 -4.907 -6.211 1.00 0.00 C ATOM 554 C ILE A 36 -6.195 -3.506 -5.623 1.00 0.00 C ATOM 555 O ILE A 36 -6.262 -2.514 -6.357 1.00 0.00 O ATOM 556 CB ILE A 36 -4.785 -5.138 -6.901 1.00 0.00 C ATOM 557 CG1 ILE A 36 -4.672 -4.317 -8.192 1.00 0.00 C ATOM 558 CG2 ILE A 36 -4.580 -6.619 -7.184 1.00 0.00 C ATOM 559 CD1 ILE A 36 -3.328 -4.443 -8.877 1.00 0.00 C ATOM 0 H ILE A 36 -7.228 -4.532 -7.963 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.244 -5.652 -5.421 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.000 -4.802 -6.224 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.453 -4.634 -8.883 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.856 -3.268 -7.962 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.615 -6.767 -7.670 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.603 -7.175 -6.247 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.374 -6.978 -7.839 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.322 -3.835 -9.782 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.543 -4.099 -8.204 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.150 -5.486 -9.139 1.00 0.00 H new ATOM 571 N ASN A 37 -6.193 -3.416 -4.305 1.00 0.00 N ATOM 572 CA ASN A 37 -6.254 -2.120 -3.656 1.00 0.00 C ATOM 573 C ASN A 37 -4.879 -1.716 -3.154 1.00 0.00 C ATOM 574 O ASN A 37 -4.139 -2.532 -2.597 1.00 0.00 O ATOM 575 CB ASN A 37 -7.279 -2.118 -2.508 1.00 0.00 C ATOM 576 CG ASN A 37 -6.771 -2.755 -1.226 1.00 0.00 C ATOM 577 OD1 ASN A 37 -6.801 -3.971 -1.072 1.00 0.00 O ATOM 578 ND2 ASN A 37 -6.349 -1.931 -0.277 1.00 0.00 N ATOM 0 H ASN A 37 -6.150 -4.214 -3.671 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.584 -1.387 -4.393 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.573 -1.089 -2.299 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.175 -2.646 -2.834 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.034 -2.303 0.619 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.339 -0.925 -0.443 1.00 0.00 H new ATOM 585 N ILE A 38 -4.521 -0.467 -3.399 1.00 0.00 N ATOM 586 CA ILE A 38 -3.306 0.087 -2.844 1.00 0.00 C ATOM 587 C ILE A 38 -3.581 0.536 -1.421 1.00 0.00 C ATOM 588 O ILE A 38 -4.117 1.624 -1.198 1.00 0.00 O ATOM 589 CB ILE A 38 -2.767 1.269 -3.678 1.00 0.00 C ATOM 590 CG1 ILE A 38 -2.455 0.804 -5.101 1.00 0.00 C ATOM 591 CG2 ILE A 38 -1.522 1.862 -3.023 1.00 0.00 C ATOM 592 CD1 ILE A 38 -2.031 1.921 -6.032 1.00 0.00 C ATOM 0 H ILE A 38 -5.057 0.179 -3.979 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.539 -0.687 -2.860 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.531 2.045 -3.722 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.663 0.056 -5.063 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.337 0.315 -5.514 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.156 2.694 -3.624 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.772 2.219 -2.024 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.749 1.097 -2.952 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.827 1.512 -7.022 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.830 2.659 -6.102 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.130 2.396 -5.643 1.00 0.00 H new ATOM 604 N ASP A 39 -3.245 -0.333 -0.473 1.00 0.00 N ATOM 605 CA ASP A 39 -3.550 -0.117 0.940 1.00 0.00 C ATOM 606 C ASP A 39 -3.027 1.229 1.419 1.00 0.00 C ATOM 607 O ASP A 39 -3.787 2.067 1.903 1.00 0.00 O ATOM 608 CB ASP A 39 -2.957 -1.245 1.785 1.00 0.00 C ATOM 609 CG ASP A 39 -3.101 -0.997 3.272 1.00 0.00 C ATOM 610 OD1 ASP A 39 -4.224 -1.129 3.793 1.00 0.00 O ATOM 611 OD2 ASP A 39 -2.082 -0.685 3.924 1.00 0.00 O ATOM 0 H ASP A 39 -2.754 -1.207 -0.661 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.634 -0.116 1.054 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.448 -2.183 1.528 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.901 -1.361 1.540 1.00 0.00 H new ATOM 616 N HIS A 40 -1.730 1.433 1.280 1.00 0.00 N ATOM 617 CA HIS A 40 -1.128 2.707 1.629 1.00 0.00 C ATOM 618 C HIS A 40 0.096 2.955 0.761 1.00 0.00 C ATOM 619 O HIS A 40 0.794 2.016 0.371 1.00 0.00 O ATOM 620 CB HIS A 40 -0.759 2.765 3.125 1.00 0.00 C ATOM 621 CG HIS A 40 0.378 1.871 3.539 1.00 0.00 C ATOM 622 ND1 HIS A 40 0.196 0.588 4.011 1.00 0.00 N ATOM 623 CD2 HIS A 40 1.715 2.095 3.572 1.00 0.00 C ATOM 624 CE1 HIS A 40 1.369 0.065 4.318 1.00 0.00 C ATOM 625 NE2 HIS A 40 2.306 0.957 4.060 1.00 0.00 N ATOM 0 H HIS A 40 -1.074 0.735 0.929 1.00 0.00 H new ATOM 0 HA HIS A 40 -1.859 3.494 1.444 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.503 3.793 3.380 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.640 2.501 3.711 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -0.704 0.117 4.108 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.220 3.000 3.270 1.00 0.00 H new ATOM 0 HE1 HIS A 40 1.534 -0.926 4.714 1.00 0.00 H new ATOM 634 N THR A 41 0.335 4.209 0.437 1.00 0.00 N ATOM 635 CA THR A 41 1.517 4.584 -0.307 1.00 0.00 C ATOM 636 C THR A 41 2.424 5.419 0.589 1.00 0.00 C ATOM 637 O THR A 41 2.346 6.649 0.602 1.00 0.00 O ATOM 638 CB THR A 41 1.149 5.369 -1.584 1.00 0.00 C ATOM 639 OG1 THR A 41 -0.013 4.783 -2.190 1.00 0.00 O ATOM 640 CG2 THR A 41 2.297 5.351 -2.581 1.00 0.00 C ATOM 0 H THR A 41 -0.277 4.988 0.679 1.00 0.00 H new ATOM 0 HA THR A 41 2.040 3.680 -0.619 1.00 0.00 H new ATOM 0 HB THR A 41 0.944 6.403 -1.305 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.264 4.174 -2.906 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.014 5.911 -3.472 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.178 5.808 -2.130 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.524 4.321 -2.856 1.00 0.00 H new ATOM 648 N GLY A 42 3.253 4.732 1.365 1.00 0.00 N ATOM 649 CA GLY A 42 4.092 5.394 2.343 1.00 0.00 C ATOM 650 C GLY A 42 5.284 6.064 1.705 1.00 0.00 C ATOM 651 O GLY A 42 6.371 5.496 1.653 1.00 0.00 O ATOM 0 H GLY A 42 3.359 3.718 1.333 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.504 6.137 2.881 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.436 4.666 3.078 1.00 0.00 H new ATOM 655 N VAL A 43 5.070 7.262 1.195 1.00 0.00 N ATOM 656 CA VAL A 43 6.122 8.003 0.528 1.00 0.00 C ATOM 657 C VAL A 43 6.563 9.191 1.368 1.00 0.00 C ATOM 658 O VAL A 43 5.734 9.947 1.878 1.00 0.00 O ATOM 659 CB VAL A 43 5.660 8.504 -0.859 1.00 0.00 C ATOM 660 CG1 VAL A 43 6.766 9.276 -1.555 1.00 0.00 C ATOM 661 CG2 VAL A 43 5.201 7.342 -1.723 1.00 0.00 C ATOM 0 H VAL A 43 4.172 7.744 1.231 1.00 0.00 H new ATOM 0 HA VAL A 43 6.963 7.323 0.396 1.00 0.00 H new ATOM 0 HB VAL A 43 4.817 9.178 -0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.414 9.617 -2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.046 10.137 -0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.633 8.629 -1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.880 7.716 -2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.025 6.641 -1.858 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.368 6.834 -1.237 1.00 0.00 H new ATOM 671 N SER A 44 7.868 9.340 1.521 1.00 0.00 N ATOM 672 CA SER A 44 8.426 10.504 2.171 1.00 0.00 C ATOM 673 C SER A 44 8.676 11.581 1.134 1.00 0.00 C ATOM 674 O SER A 44 9.218 11.315 0.058 1.00 0.00 O ATOM 675 CB SER A 44 9.723 10.155 2.893 1.00 0.00 C ATOM 676 OG SER A 44 10.299 11.297 3.500 1.00 0.00 O ATOM 0 H SER A 44 8.560 8.663 1.201 1.00 0.00 H new ATOM 0 HA SER A 44 7.717 10.869 2.915 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.526 9.398 3.652 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.430 9.721 2.186 1.00 0.00 H new ATOM 0 HG SER A 44 11.128 11.042 3.956 1.00 0.00 H new ATOM 766 N VAL A 52 10.498 8.233 -7.662 1.00 0.00 N ATOM 767 CA VAL A 52 10.312 6.972 -6.949 1.00 0.00 C ATOM 768 C VAL A 52 8.835 6.584 -6.878 1.00 0.00 C ATOM 769 O VAL A 52 8.491 5.407 -6.993 1.00 0.00 O ATOM 770 CB VAL A 52 10.882 7.046 -5.513 1.00 0.00 C ATOM 771 CG1 VAL A 52 10.744 5.707 -4.799 1.00 0.00 C ATOM 772 CG2 VAL A 52 12.338 7.485 -5.541 1.00 0.00 C ATOM 0 HA VAL A 52 10.855 6.212 -7.511 1.00 0.00 H new ATOM 0 HB VAL A 52 10.304 7.786 -4.959 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.153 5.788 -3.792 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.691 5.432 -4.742 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.290 4.942 -5.352 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.724 7.532 -4.523 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.923 6.769 -6.118 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.412 8.470 -6.003 1.00 0.00 H new ATOM 782 N GLY A 53 7.972 7.581 -6.708 1.00 0.00 N ATOM 783 CA GLY A 53 6.550 7.326 -6.559 1.00 0.00 C ATOM 784 C GLY A 53 5.948 6.666 -7.779 1.00 0.00 C ATOM 785 O GLY A 53 5.320 5.612 -7.679 1.00 0.00 O ATOM 0 H GLY A 53 8.234 8.566 -6.671 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.388 6.690 -5.689 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.034 8.267 -6.367 1.00 0.00 H new ATOM 789 N LYS A 54 6.156 7.274 -8.939 1.00 0.00 N ATOM 790 CA LYS A 54 5.616 6.737 -10.178 1.00 0.00 C ATOM 791 C LYS A 54 6.354 5.474 -10.602 1.00 0.00 C ATOM 792 O LYS A 54 5.811 4.660 -11.336 1.00 0.00 O ATOM 793 CB LYS A 54 5.665 7.771 -11.304 1.00 0.00 C ATOM 794 CG LYS A 54 4.745 8.959 -11.084 1.00 0.00 C ATOM 795 CD LYS A 54 4.577 9.772 -12.358 1.00 0.00 C ATOM 796 CE LYS A 54 3.629 10.940 -12.151 1.00 0.00 C ATOM 797 NZ LYS A 54 3.319 11.638 -13.425 1.00 0.00 N ATOM 0 H LYS A 54 6.692 8.135 -9.047 1.00 0.00 H new ATOM 0 HA LYS A 54 4.573 6.483 -9.987 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.688 8.130 -11.411 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.398 7.285 -12.243 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.771 8.609 -10.743 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.150 9.594 -10.296 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.548 10.144 -12.685 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.197 9.130 -13.153 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.704 10.581 -11.700 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.072 11.646 -11.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.592 12.362 -13.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.181 12.091 -13.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.967 10.950 -14.121 1.00 0.00 H new ATOM 811 N LYS A 55 7.587 5.312 -10.134 1.00 0.00 N ATOM 812 CA LYS A 55 8.367 4.122 -10.457 1.00 0.00 C ATOM 813 C LYS A 55 7.719 2.885 -9.848 1.00 0.00 C ATOM 814 O LYS A 55 7.468 1.894 -10.536 1.00 0.00 O ATOM 815 CB LYS A 55 9.800 4.254 -9.941 1.00 0.00 C ATOM 816 CG LYS A 55 10.708 3.128 -10.406 1.00 0.00 C ATOM 817 CD LYS A 55 12.062 3.176 -9.719 1.00 0.00 C ATOM 818 CE LYS A 55 13.018 2.141 -10.295 1.00 0.00 C ATOM 819 NZ LYS A 55 13.378 2.438 -11.708 1.00 0.00 N ATOM 0 H LYS A 55 8.065 5.984 -9.534 1.00 0.00 H new ATOM 0 HA LYS A 55 8.393 4.020 -11.542 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.213 5.206 -10.273 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.787 4.275 -8.851 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.231 2.169 -10.203 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.845 3.194 -11.485 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.492 4.171 -9.830 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.935 3.001 -8.651 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.924 2.108 -9.690 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.560 1.153 -10.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.208 1.874 -11.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.578 2.198 -12.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.600 3.450 -11.805 1.00 0.00 H new ATOM 833 N LEU A 56 7.444 2.957 -8.553 1.00 0.00 N ATOM 834 CA LEU A 56 6.808 1.857 -7.845 1.00 0.00 C ATOM 835 C LEU A 56 5.385 1.661 -8.348 1.00 0.00 C ATOM 836 O LEU A 56 4.918 0.532 -8.498 1.00 0.00 O ATOM 837 CB LEU A 56 6.804 2.125 -6.341 1.00 0.00 C ATOM 838 CG LEU A 56 8.187 2.205 -5.696 1.00 0.00 C ATOM 839 CD1 LEU A 56 8.067 2.547 -4.221 1.00 0.00 C ATOM 840 CD2 LEU A 56 8.933 0.891 -5.878 1.00 0.00 C ATOM 0 H LEU A 56 7.652 3.768 -7.971 1.00 0.00 H new ATOM 0 HA LEU A 56 7.376 0.946 -8.035 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.278 3.062 -6.155 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.235 1.337 -5.848 1.00 0.00 H new ATOM 0 HG LEU A 56 8.753 2.996 -6.188 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.061 2.600 -3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.569 3.510 -4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.485 1.777 -3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.916 0.963 -5.413 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.369 0.084 -5.410 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.049 0.683 -6.942 1.00 0.00 H new ATOM 852 N LEU A 57 4.708 2.770 -8.620 1.00 0.00 N ATOM 853 CA LEU A 57 3.355 2.730 -9.156 1.00 0.00 C ATOM 854 C LEU A 57 3.342 2.063 -10.532 1.00 0.00 C ATOM 855 O LEU A 57 2.468 1.250 -10.829 1.00 0.00 O ATOM 856 CB LEU A 57 2.786 4.148 -9.260 1.00 0.00 C ATOM 857 CG LEU A 57 1.349 4.240 -9.777 1.00 0.00 C ATOM 858 CD1 LEU A 57 0.388 3.570 -8.804 1.00 0.00 C ATOM 859 CD2 LEU A 57 0.959 5.692 -10.002 1.00 0.00 C ATOM 0 H LEU A 57 5.076 3.710 -8.477 1.00 0.00 H new ATOM 0 HA LEU A 57 2.734 2.145 -8.478 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.831 4.613 -8.275 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.429 4.733 -9.918 1.00 0.00 H new ATOM 0 HG LEU A 57 1.290 3.716 -10.731 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.629 3.645 -9.188 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.657 2.520 -8.692 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.448 4.065 -7.835 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.066 5.741 -10.370 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.034 6.239 -9.062 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.629 6.139 -10.736 1.00 0.00 H new ATOM 871 N LYS A 58 4.329 2.406 -11.357 1.00 0.00 N ATOM 872 CA LYS A 58 4.431 1.883 -12.714 1.00 0.00 C ATOM 873 C LYS A 58 4.485 0.361 -12.706 1.00 0.00 C ATOM 874 O LYS A 58 3.760 -0.289 -13.448 1.00 0.00 O ATOM 875 CB LYS A 58 5.674 2.449 -13.409 1.00 0.00 C ATOM 876 CG LYS A 58 5.734 2.167 -14.902 1.00 0.00 C ATOM 877 CD LYS A 58 6.957 2.810 -15.540 1.00 0.00 C ATOM 878 CE LYS A 58 8.252 2.128 -15.114 1.00 0.00 C ATOM 879 NZ LYS A 58 8.405 0.788 -15.738 1.00 0.00 N ATOM 0 H LYS A 58 5.077 3.052 -11.103 1.00 0.00 H new ATOM 0 HA LYS A 58 3.543 2.193 -13.266 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.705 3.527 -13.252 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.563 2.032 -12.936 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.758 1.090 -15.070 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.831 2.544 -15.382 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.865 2.766 -16.625 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.996 3.864 -15.266 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.100 2.755 -15.389 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.269 2.027 -14.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.385 0.460 -15.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.758 0.116 -15.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.180 0.849 -16.751 1.00 0.00 H new ATOM 893 N ALA A 59 5.326 -0.199 -11.842 1.00 0.00 N ATOM 894 CA ALA A 59 5.476 -1.648 -11.748 1.00 0.00 C ATOM 895 C ALA A 59 4.158 -2.313 -11.359 1.00 0.00 C ATOM 896 O ALA A 59 3.819 -3.385 -11.864 1.00 0.00 O ATOM 897 CB ALA A 59 6.567 -2.000 -10.750 1.00 0.00 C ATOM 0 H ALA A 59 5.914 0.328 -11.197 1.00 0.00 H new ATOM 0 HA ALA A 59 5.764 -2.025 -12.729 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.669 -3.084 -10.689 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.512 -1.564 -11.075 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.304 -1.605 -9.769 1.00 0.00 H new ATOM 903 N VAL A 60 3.411 -1.666 -10.474 1.00 0.00 N ATOM 904 CA VAL A 60 2.116 -2.181 -10.054 1.00 0.00 C ATOM 905 C VAL A 60 1.114 -2.108 -11.207 1.00 0.00 C ATOM 906 O VAL A 60 0.386 -3.067 -11.468 1.00 0.00 O ATOM 907 CB VAL A 60 1.567 -1.419 -8.827 1.00 0.00 C ATOM 908 CG1 VAL A 60 0.181 -1.920 -8.452 1.00 0.00 C ATOM 909 CG2 VAL A 60 2.516 -1.560 -7.646 1.00 0.00 C ATOM 0 H VAL A 60 3.679 -0.786 -10.034 1.00 0.00 H new ATOM 0 HA VAL A 60 2.257 -3.222 -9.765 1.00 0.00 H new ATOM 0 HB VAL A 60 1.489 -0.364 -9.091 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.183 -1.368 -7.586 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.499 -1.770 -9.290 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.231 -2.982 -8.211 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.115 -1.018 -6.790 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.624 -2.614 -7.390 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.490 -1.150 -7.911 1.00 0.00 H new ATOM 919 N VAL A 61 1.105 -0.979 -11.909 1.00 0.00 N ATOM 920 CA VAL A 61 0.229 -0.798 -13.063 1.00 0.00 C ATOM 921 C VAL A 61 0.578 -1.798 -14.164 1.00 0.00 C ATOM 922 O VAL A 61 -0.305 -2.366 -14.803 1.00 0.00 O ATOM 923 CB VAL A 61 0.315 0.639 -13.625 1.00 0.00 C ATOM 924 CG1 VAL A 61 -0.556 0.794 -14.866 1.00 0.00 C ATOM 925 CG2 VAL A 61 -0.092 1.652 -12.566 1.00 0.00 C ATOM 0 H VAL A 61 1.695 -0.174 -11.699 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.792 -0.973 -12.724 1.00 0.00 H new ATOM 0 HB VAL A 61 1.350 0.827 -13.909 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.477 1.814 -15.241 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.221 0.098 -15.635 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.594 0.581 -14.611 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.025 2.658 -12.980 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.117 1.457 -12.251 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.574 1.568 -11.707 1.00 0.00 H new ATOM 935 N GLU A 62 1.872 -2.014 -14.367 1.00 0.00 N ATOM 936 CA GLU A 62 2.350 -2.989 -15.338 1.00 0.00 C ATOM 937 C GLU A 62 1.880 -4.389 -14.969 1.00 0.00 C ATOM 938 O GLU A 62 1.404 -5.137 -15.820 1.00 0.00 O ATOM 939 CB GLU A 62 3.877 -2.954 -15.423 1.00 0.00 C ATOM 940 CG GLU A 62 4.426 -1.718 -16.115 1.00 0.00 C ATOM 941 CD GLU A 62 5.938 -1.720 -16.191 1.00 0.00 C ATOM 942 OE1 GLU A 62 6.489 -2.376 -17.100 1.00 0.00 O ATOM 943 OE2 GLU A 62 6.585 -1.071 -15.345 1.00 0.00 O ATOM 0 H GLU A 62 2.613 -1.523 -13.868 1.00 0.00 H new ATOM 0 HA GLU A 62 1.937 -2.729 -16.313 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.289 -3.007 -14.415 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.222 -3.840 -15.956 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.015 -1.657 -17.123 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.093 -0.828 -15.580 1.00 0.00 H new ATOM 950 N HIS A 63 2.006 -4.728 -13.692 1.00 0.00 N ATOM 951 CA HIS A 63 1.589 -6.034 -13.195 1.00 0.00 C ATOM 952 C HIS A 63 0.074 -6.188 -13.315 1.00 0.00 C ATOM 953 O HIS A 63 -0.428 -7.266 -13.633 1.00 0.00 O ATOM 954 CB HIS A 63 2.039 -6.204 -11.739 1.00 0.00 C ATOM 955 CG HIS A 63 1.935 -7.606 -11.214 1.00 0.00 C ATOM 956 ND1 HIS A 63 2.695 -8.646 -11.695 1.00 0.00 N ATOM 957 CD2 HIS A 63 1.178 -8.126 -10.219 1.00 0.00 C ATOM 958 CE1 HIS A 63 2.415 -9.743 -11.018 1.00 0.00 C ATOM 959 NE2 HIS A 63 1.499 -9.459 -10.112 1.00 0.00 N ATOM 0 H HIS A 63 2.396 -4.113 -12.978 1.00 0.00 H new ATOM 0 HA HIS A 63 2.058 -6.812 -13.798 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.074 -5.873 -11.651 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.439 -5.548 -11.108 1.00 0.00 H new ATOM 0 HD2 HIS A 63 0.455 -7.592 -9.620 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.862 -10.713 -11.179 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.097 -10.117 -9.445 1.00 0.00 H new ATOM 968 N ALA A 64 -0.646 -5.096 -13.073 1.00 0.00 N ATOM 969 CA ALA A 64 -2.098 -5.089 -13.206 1.00 0.00 C ATOM 970 C ALA A 64 -2.506 -5.242 -14.668 1.00 0.00 C ATOM 971 O ALA A 64 -3.416 -5.999 -14.989 1.00 0.00 O ATOM 972 CB ALA A 64 -2.678 -3.810 -12.628 1.00 0.00 C ATOM 0 H ALA A 64 -0.246 -4.204 -12.783 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.496 -5.936 -12.647 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.763 -3.821 -12.736 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.419 -3.738 -11.572 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.269 -2.952 -13.161 1.00 0.00 H new ATOM 978 N ARG A 65 -1.827 -4.518 -15.548 1.00 0.00 N ATOM 979 CA ARG A 65 -2.064 -4.629 -16.981 1.00 0.00 C ATOM 980 C ARG A 65 -1.775 -6.049 -17.460 1.00 0.00 C ATOM 981 O ARG A 65 -2.549 -6.634 -18.215 1.00 0.00 O ATOM 982 CB ARG A 65 -1.179 -3.639 -17.749 1.00 0.00 C ATOM 983 CG ARG A 65 -1.181 -3.863 -19.254 1.00 0.00 C ATOM 984 CD ARG A 65 -0.139 -3.007 -19.965 1.00 0.00 C ATOM 985 NE ARG A 65 1.206 -3.165 -19.394 1.00 0.00 N ATOM 986 CZ ARG A 65 1.960 -4.266 -19.507 1.00 0.00 C ATOM 987 NH1 ARG A 65 1.520 -5.324 -20.182 1.00 0.00 N ATOM 988 NH2 ARG A 65 3.166 -4.301 -18.947 1.00 0.00 N ATOM 0 H ARG A 65 -1.105 -3.845 -15.293 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.111 -4.394 -17.172 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.518 -2.624 -17.540 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.156 -3.716 -17.380 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.988 -4.915 -19.463 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.170 -3.635 -19.652 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -0.115 -3.273 -21.022 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.434 -1.959 -19.907 1.00 0.00 H new ATOM 0 HE ARG A 65 1.594 -2.378 -18.873 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.599 -5.302 -20.620 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.103 -6.157 -20.261 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.514 -3.491 -18.434 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.743 -5.138 -19.031 1.00 0.00 H new ATOM 1002 N GLU A 66 -0.661 -6.592 -16.996 1.00 0.00 N ATOM 1003 CA GLU A 66 -0.188 -7.900 -17.423 1.00 0.00 C ATOM 1004 C GLU A 66 -1.168 -9.012 -17.033 1.00 0.00 C ATOM 1005 O GLU A 66 -1.507 -9.864 -17.850 1.00 0.00 O ATOM 1006 CB GLU A 66 1.186 -8.157 -16.804 1.00 0.00 C ATOM 1007 CG GLU A 66 1.936 -9.323 -17.414 1.00 0.00 C ATOM 1008 CD GLU A 66 3.320 -9.472 -16.824 1.00 0.00 C ATOM 1009 OE1 GLU A 66 4.251 -8.797 -17.305 1.00 0.00 O ATOM 1010 OE2 GLU A 66 3.479 -10.258 -15.863 1.00 0.00 O ATOM 0 H GLU A 66 -0.057 -6.137 -16.311 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.113 -7.906 -18.510 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.792 -7.257 -16.907 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.062 -8.338 -15.736 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.372 -10.242 -17.254 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.014 -9.181 -18.492 1.00 0.00 H new ATOM 1017 N ASN A 67 -1.636 -8.987 -15.789 1.00 0.00 N ATOM 1018 CA ASN A 67 -2.518 -10.042 -15.283 1.00 0.00 C ATOM 1019 C ASN A 67 -3.988 -9.686 -15.483 1.00 0.00 C ATOM 1020 O ASN A 67 -4.877 -10.436 -15.070 1.00 0.00 O ATOM 1021 CB ASN A 67 -2.243 -10.304 -13.798 1.00 0.00 C ATOM 1022 CG ASN A 67 -0.847 -10.845 -13.546 1.00 0.00 C ATOM 1023 OD1 ASN A 67 -0.255 -10.602 -12.495 1.00 0.00 O ATOM 1024 ND2 ASN A 67 -0.311 -11.587 -14.504 1.00 0.00 N ATOM 0 H ASN A 67 -1.423 -8.253 -15.113 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.307 -10.947 -15.853 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.375 -9.377 -13.239 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.977 -11.014 -13.417 1.00 0.00 H new ATOM 0 HD21 ASN A 67 0.623 -11.978 -14.384 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.833 -11.767 -15.362 1.00 0.00 H new ATOM 1031 N ASN A 68 -4.228 -8.546 -16.125 1.00 0.00 N ATOM 1032 CA ASN A 68 -5.581 -8.047 -16.371 1.00 0.00 C ATOM 1033 C ASN A 68 -6.324 -7.855 -15.051 1.00 0.00 C ATOM 1034 O ASN A 68 -7.235 -8.610 -14.701 1.00 0.00 O ATOM 1035 CB ASN A 68 -6.350 -8.982 -17.318 1.00 0.00 C ATOM 1036 CG ASN A 68 -7.707 -8.430 -17.711 1.00 0.00 C ATOM 1037 OD1 ASN A 68 -7.814 -7.601 -18.619 1.00 0.00 O ATOM 1038 ND2 ASN A 68 -8.755 -8.911 -17.064 1.00 0.00 N ATOM 0 H ASN A 68 -3.492 -7.941 -16.490 1.00 0.00 H new ATOM 0 HA ASN A 68 -5.508 -7.076 -16.862 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.757 -9.150 -18.217 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.482 -9.951 -16.837 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.694 -8.598 -17.310 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.624 -9.595 -16.319 1.00 0.00 H new ATOM 1045 N LEU A 69 -5.894 -6.854 -14.306 1.00 0.00 N ATOM 1046 CA LEU A 69 -6.471 -6.548 -13.010 1.00 0.00 C ATOM 1047 C LEU A 69 -7.005 -5.124 -13.004 1.00 0.00 C ATOM 1048 O LEU A 69 -6.831 -4.388 -13.978 1.00 0.00 O ATOM 1049 CB LEU A 69 -5.414 -6.710 -11.913 1.00 0.00 C ATOM 1050 CG LEU A 69 -4.757 -8.091 -11.836 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -3.614 -8.082 -10.836 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -5.780 -9.152 -11.461 1.00 0.00 C ATOM 0 H LEU A 69 -5.135 -6.230 -14.582 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.292 -7.239 -12.817 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.635 -5.964 -12.069 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.877 -6.492 -10.951 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.355 -8.333 -12.820 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.159 -9.072 -10.795 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.866 -7.351 -11.145 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.995 -7.816 -9.850 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.293 -10.126 -11.412 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.213 -8.913 -10.489 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.569 -9.179 -12.213 1.00 0.00 H new ATOM 1064 N LYS A 70 -7.658 -4.746 -11.919 1.00 0.00 N ATOM 1065 CA LYS A 70 -8.147 -3.387 -11.757 1.00 0.00 C ATOM 1066 C LYS A 70 -7.595 -2.789 -10.473 1.00 0.00 C ATOM 1067 O LYS A 70 -7.666 -3.406 -9.409 1.00 0.00 O ATOM 1068 CB LYS A 70 -9.675 -3.348 -11.742 1.00 0.00 C ATOM 1069 CG LYS A 70 -10.315 -3.900 -13.003 1.00 0.00 C ATOM 1070 CD LYS A 70 -11.822 -3.707 -12.990 1.00 0.00 C ATOM 1071 CE LYS A 70 -12.489 -4.451 -14.134 1.00 0.00 C ATOM 1072 NZ LYS A 70 -12.256 -5.916 -14.042 1.00 0.00 N ATOM 0 H LYS A 70 -7.863 -5.364 -11.134 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.804 -2.797 -12.607 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.035 -3.916 -10.884 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.001 -2.318 -11.601 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.891 -3.403 -13.876 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.083 -4.961 -13.096 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.227 -4.059 -12.041 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.054 -2.644 -13.061 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.560 -4.251 -14.124 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.105 -4.080 -15.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.982 -6.418 -14.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.315 -6.142 -14.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.307 -6.214 -13.047 1.00 0.00 H new ATOM 1086 N ILE A 71 -7.038 -1.598 -10.582 1.00 0.00 N ATOM 1087 CA ILE A 71 -6.413 -0.942 -9.450 1.00 0.00 C ATOM 1088 C ILE A 71 -7.383 0.021 -8.774 1.00 0.00 C ATOM 1089 O ILE A 71 -7.996 0.866 -9.430 1.00 0.00 O ATOM 1090 CB ILE A 71 -5.150 -0.160 -9.878 1.00 0.00 C ATOM 1091 CG1 ILE A 71 -4.177 -1.080 -10.620 1.00 0.00 C ATOM 1092 CG2 ILE A 71 -4.471 0.463 -8.664 1.00 0.00 C ATOM 1093 CD1 ILE A 71 -2.944 -0.374 -11.143 1.00 0.00 C ATOM 0 H ILE A 71 -7.006 -1.062 -11.449 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.127 -1.725 -8.748 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.453 0.640 -10.553 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.868 -1.882 -9.950 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.699 -1.546 -11.456 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.584 1.010 -8.984 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.162 1.148 -8.172 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.181 -0.323 -7.966 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.304 -1.092 -11.656 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.242 0.410 -11.840 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.398 0.069 -10.310 1.00 0.00 H new ATOM 1105 N ILE A 72 -7.530 -0.129 -7.467 1.00 0.00 N ATOM 1106 CA ILE A 72 -8.288 0.817 -6.668 1.00 0.00 C ATOM 1107 C ILE A 72 -7.389 1.423 -5.599 1.00 0.00 C ATOM 1108 O ILE A 72 -6.648 0.713 -4.915 1.00 0.00 O ATOM 1109 CB ILE A 72 -9.533 0.173 -6.012 1.00 0.00 C ATOM 1110 CG1 ILE A 72 -9.178 -1.154 -5.332 1.00 0.00 C ATOM 1111 CG2 ILE A 72 -10.632 -0.029 -7.046 1.00 0.00 C ATOM 1112 CD1 ILE A 72 -10.349 -1.821 -4.638 1.00 0.00 C ATOM 0 H ILE A 72 -7.131 -0.903 -6.936 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.647 1.597 -7.339 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.900 0.852 -5.243 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.774 -1.837 -6.079 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.388 -0.977 -4.602 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -11.501 -0.483 -6.569 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.913 0.934 -7.471 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -10.270 -0.684 -7.839 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.018 -2.754 -4.181 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.740 -1.158 -3.866 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -11.132 -2.032 -5.367 1.00 0.00 H new ATOM 1124 N ALA A 73 -7.436 2.735 -5.472 1.00 0.00 N ATOM 1125 CA ALA A 73 -6.551 3.437 -4.561 1.00 0.00 C ATOM 1126 C ALA A 73 -7.220 3.681 -3.214 1.00 0.00 C ATOM 1127 O ALA A 73 -8.220 4.395 -3.129 1.00 0.00 O ATOM 1128 CB ALA A 73 -6.101 4.751 -5.177 1.00 0.00 C ATOM 0 H ALA A 73 -8.078 3.337 -5.988 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.677 2.809 -4.388 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.437 5.269 -4.485 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.571 4.553 -6.109 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.972 5.375 -5.380 1.00 0.00 H new ATOM 1134 N SER A 74 -6.675 3.071 -2.171 1.00 0.00 N ATOM 1135 CA SER A 74 -7.153 3.301 -0.816 1.00 0.00 C ATOM 1136 C SER A 74 -6.409 4.487 -0.207 1.00 0.00 C ATOM 1137 O SER A 74 -6.914 5.166 0.688 1.00 0.00 O ATOM 1138 CB SER A 74 -6.944 2.045 0.032 1.00 0.00 C ATOM 1139 OG SER A 74 -7.422 0.894 -0.649 1.00 0.00 O ATOM 0 H SER A 74 -5.900 2.412 -2.238 1.00 0.00 H new ATOM 0 HA SER A 74 -8.219 3.527 -0.841 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.885 1.926 0.259 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.464 2.152 0.984 1.00 0.00 H new ATOM 0 HG SER A 74 -7.872 0.301 -0.012 1.00 0.00 H new ATOM 1145 N CYS A 75 -5.206 4.723 -0.717 1.00 0.00 N ATOM 1146 CA CYS A 75 -4.375 5.831 -0.272 1.00 0.00 C ATOM 1147 C CYS A 75 -4.626 7.067 -1.130 1.00 0.00 C ATOM 1148 O CYS A 75 -4.752 6.970 -2.354 1.00 0.00 O ATOM 1149 CB CYS A 75 -2.897 5.438 -0.344 1.00 0.00 C ATOM 1150 SG CYS A 75 -1.756 6.745 0.161 1.00 0.00 S ATOM 0 H CYS A 75 -4.782 4.153 -1.448 1.00 0.00 H new ATOM 0 HA CYS A 75 -4.634 6.066 0.760 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -2.734 4.565 0.288 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -2.661 5.141 -1.366 1.00 0.00 H new ATOM 0 HG CYS A 75 -1.287 6.478 1.344 1.00 0.00 H new ATOM 1156 N SER A 76 -4.678 8.226 -0.485 1.00 0.00 N ATOM 1157 CA SER A 76 -4.961 9.481 -1.165 1.00 0.00 C ATOM 1158 C SER A 76 -3.818 9.876 -2.101 1.00 0.00 C ATOM 1159 O SER A 76 -4.045 10.497 -3.143 1.00 0.00 O ATOM 1160 CB SER A 76 -5.206 10.580 -0.130 1.00 0.00 C ATOM 1161 OG SER A 76 -6.180 10.170 0.815 1.00 0.00 O ATOM 0 H SER A 76 -4.526 8.321 0.519 1.00 0.00 H new ATOM 0 HA SER A 76 -5.856 9.350 -1.774 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.274 10.819 0.382 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.538 11.490 -0.630 1.00 0.00 H new ATOM 0 HG SER A 76 -6.322 10.885 1.470 1.00 0.00 H new ATOM 1167 N PHE A 77 -2.594 9.495 -1.737 1.00 0.00 N ATOM 1168 CA PHE A 77 -1.426 9.812 -2.550 1.00 0.00 C ATOM 1169 C PHE A 77 -1.516 9.104 -3.899 1.00 0.00 C ATOM 1170 O PHE A 77 -1.388 9.730 -4.952 1.00 0.00 O ATOM 1171 CB PHE A 77 -0.140 9.411 -1.819 1.00 0.00 C ATOM 1172 CG PHE A 77 1.117 9.825 -2.531 1.00 0.00 C ATOM 1173 CD1 PHE A 77 1.597 11.120 -2.416 1.00 0.00 C ATOM 1174 CD2 PHE A 77 1.823 8.920 -3.307 1.00 0.00 C ATOM 1175 CE1 PHE A 77 2.758 11.505 -3.063 1.00 0.00 C ATOM 1176 CE2 PHE A 77 2.981 9.299 -3.955 1.00 0.00 C ATOM 1177 CZ PHE A 77 3.450 10.592 -3.834 1.00 0.00 C ATOM 0 H PHE A 77 -2.388 8.969 -0.888 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.402 10.888 -2.722 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.146 9.855 -0.824 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.131 8.329 -1.686 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.059 11.837 -1.814 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.463 7.907 -3.406 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.122 12.517 -2.965 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.521 8.583 -4.557 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.356 10.889 -4.341 1.00 0.00 H new ATOM 1187 N ALA A 78 -1.762 7.799 -3.857 1.00 0.00 N ATOM 1188 CA ALA A 78 -1.911 7.008 -5.072 1.00 0.00 C ATOM 1189 C ALA A 78 -3.130 7.463 -5.864 1.00 0.00 C ATOM 1190 O ALA A 78 -3.109 7.489 -7.096 1.00 0.00 O ATOM 1191 CB ALA A 78 -2.021 5.530 -4.732 1.00 0.00 C ATOM 0 H ALA A 78 -1.862 7.266 -2.993 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.025 7.158 -5.690 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.132 4.953 -5.650 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.121 5.209 -4.208 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.890 5.367 -4.094 1.00 0.00 H new ATOM 1197 N LYS A 79 -4.184 7.831 -5.142 1.00 0.00 N ATOM 1198 CA LYS A 79 -5.413 8.319 -5.756 1.00 0.00 C ATOM 1199 C LYS A 79 -5.128 9.520 -6.651 1.00 0.00 C ATOM 1200 O LYS A 79 -5.494 9.531 -7.820 1.00 0.00 O ATOM 1201 CB LYS A 79 -6.422 8.714 -4.672 1.00 0.00 C ATOM 1202 CG LYS A 79 -7.755 9.209 -5.211 1.00 0.00 C ATOM 1203 CD LYS A 79 -8.567 8.082 -5.831 1.00 0.00 C ATOM 1204 CE LYS A 79 -9.875 8.589 -6.418 1.00 0.00 C ATOM 1205 NZ LYS A 79 -10.678 9.345 -5.421 1.00 0.00 N ATOM 0 H LYS A 79 -4.210 7.800 -4.123 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.832 7.518 -6.366 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.601 7.854 -4.027 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.983 9.493 -4.049 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.326 9.667 -4.403 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.580 9.984 -5.957 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.981 7.598 -6.612 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.776 7.325 -5.075 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -9.664 9.230 -7.274 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.458 7.745 -6.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.689 9.155 -5.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.411 9.046 -4.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.497 10.363 -5.529 1.00 0.00 H new ATOM 1219 N HIS A 80 -4.432 10.509 -6.105 1.00 0.00 N ATOM 1220 CA HIS A 80 -4.188 11.760 -6.818 1.00 0.00 C ATOM 1221 C HIS A 80 -3.242 11.580 -8.000 1.00 0.00 C ATOM 1222 O HIS A 80 -3.151 12.452 -8.862 1.00 0.00 O ATOM 1223 CB HIS A 80 -3.655 12.832 -5.868 1.00 0.00 C ATOM 1224 CG HIS A 80 -4.694 13.336 -4.916 1.00 0.00 C ATOM 1225 ND1 HIS A 80 -4.408 13.759 -3.638 1.00 0.00 N ATOM 1226 CD2 HIS A 80 -6.033 13.483 -5.066 1.00 0.00 C ATOM 1227 CE1 HIS A 80 -5.521 14.144 -3.046 1.00 0.00 C ATOM 1228 NE2 HIS A 80 -6.521 13.986 -3.889 1.00 0.00 N ATOM 0 H HIS A 80 -4.026 10.471 -5.170 1.00 0.00 H new ATOM 0 HA HIS A 80 -5.148 12.087 -7.218 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -2.818 12.424 -5.302 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -3.268 13.668 -6.452 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.608 13.247 -5.949 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -5.600 14.525 -2.039 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -7.499 14.203 -3.697 1.00 0.00 H new ATOM 1237 N MET A 81 -2.528 10.467 -8.039 1.00 0.00 N ATOM 1238 CA MET A 81 -1.675 10.170 -9.180 1.00 0.00 C ATOM 1239 C MET A 81 -2.485 9.498 -10.284 1.00 0.00 C ATOM 1240 O MET A 81 -2.451 9.916 -11.440 1.00 0.00 O ATOM 1241 CB MET A 81 -0.502 9.271 -8.772 1.00 0.00 C ATOM 1242 CG MET A 81 0.489 9.938 -7.828 1.00 0.00 C ATOM 1243 SD MET A 81 1.957 8.933 -7.533 1.00 0.00 S ATOM 1244 CE MET A 81 1.242 7.491 -6.744 1.00 0.00 C ATOM 0 H MET A 81 -2.521 9.761 -7.303 1.00 0.00 H new ATOM 0 HA MET A 81 -1.272 11.111 -9.553 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.894 8.373 -8.295 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.026 8.950 -9.670 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.790 10.899 -8.244 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.003 10.142 -6.877 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.975 6.684 -6.727 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.954 7.740 -5.723 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.362 7.170 -7.301 1.00 0.00 H new ATOM 1254 N LEU A 82 -3.237 8.473 -9.907 1.00 0.00 N ATOM 1255 CA LEU A 82 -3.989 7.674 -10.865 1.00 0.00 C ATOM 1256 C LEU A 82 -5.208 8.427 -11.396 1.00 0.00 C ATOM 1257 O LEU A 82 -5.522 8.351 -12.581 1.00 0.00 O ATOM 1258 CB LEU A 82 -4.436 6.362 -10.213 1.00 0.00 C ATOM 1259 CG LEU A 82 -3.303 5.439 -9.762 1.00 0.00 C ATOM 1260 CD1 LEU A 82 -3.855 4.274 -8.956 1.00 0.00 C ATOM 1261 CD2 LEU A 82 -2.527 4.925 -10.963 1.00 0.00 C ATOM 0 H LEU A 82 -3.343 8.174 -8.938 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.332 7.462 -11.708 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.057 6.598 -9.349 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.065 5.820 -10.919 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.626 6.011 -9.128 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.035 3.627 -8.643 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.374 4.654 -8.076 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.552 3.704 -9.570 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.724 4.270 -10.624 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.197 4.369 -11.618 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.102 5.767 -11.509 1.00 0.00 H new ATOM 1273 N GLU A 83 -5.876 9.163 -10.515 1.00 0.00 N ATOM 1274 CA GLU A 83 -7.124 9.849 -10.851 1.00 0.00 C ATOM 1275 C GLU A 83 -6.894 10.976 -11.858 1.00 0.00 C ATOM 1276 O GLU A 83 -7.775 11.301 -12.658 1.00 0.00 O ATOM 1277 CB GLU A 83 -7.745 10.428 -9.575 1.00 0.00 C ATOM 1278 CG GLU A 83 -9.109 11.066 -9.772 1.00 0.00 C ATOM 1279 CD GLU A 83 -9.502 11.957 -8.611 1.00 0.00 C ATOM 1280 OE1 GLU A 83 -9.907 11.428 -7.555 1.00 0.00 O ATOM 1281 OE2 GLU A 83 -9.393 13.193 -8.752 1.00 0.00 O ATOM 0 H GLU A 83 -5.572 9.302 -9.551 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.797 9.122 -11.305 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.834 9.632 -8.836 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.066 11.173 -9.161 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.104 11.652 -10.691 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.858 10.284 -9.897 1.00 0.00 H new ATOM 1288 N LYS A 84 -5.708 11.569 -11.819 1.00 0.00 N ATOM 1289 CA LYS A 84 -5.426 12.754 -12.622 1.00 0.00 C ATOM 1290 C LYS A 84 -4.691 12.420 -13.917 1.00 0.00 C ATOM 1291 O LYS A 84 -4.887 13.088 -14.932 1.00 0.00 O ATOM 1292 CB LYS A 84 -4.600 13.758 -11.814 1.00 0.00 C ATOM 1293 CG LYS A 84 -5.363 14.394 -10.660 1.00 0.00 C ATOM 1294 CD LYS A 84 -4.447 15.242 -9.795 1.00 0.00 C ATOM 1295 CE LYS A 84 -3.745 16.311 -10.612 1.00 0.00 C ATOM 1296 NZ LYS A 84 -2.667 16.979 -9.842 1.00 0.00 N ATOM 0 H LYS A 84 -4.928 11.252 -11.243 1.00 0.00 H new ATOM 0 HA LYS A 84 -6.389 13.190 -12.889 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.717 13.254 -11.420 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.247 14.544 -12.481 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.171 15.011 -11.052 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.823 13.615 -10.052 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.027 15.712 -9.000 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.705 14.604 -9.314 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -3.324 15.862 -11.511 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.472 17.055 -10.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.213 17.702 -10.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.072 17.430 -8.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.959 16.274 -9.553 1.00 0.00 H new ATOM 1310 N GLU A 85 -3.847 11.399 -13.888 1.00 0.00 N ATOM 1311 CA GLU A 85 -3.007 11.093 -15.036 1.00 0.00 C ATOM 1312 C GLU A 85 -3.638 10.004 -15.901 1.00 0.00 C ATOM 1313 O GLU A 85 -3.965 8.916 -15.423 1.00 0.00 O ATOM 1314 CB GLU A 85 -1.607 10.686 -14.567 1.00 0.00 C ATOM 1315 CG GLU A 85 -0.570 10.656 -15.678 1.00 0.00 C ATOM 1316 CD GLU A 85 0.825 10.963 -15.169 1.00 0.00 C ATOM 1317 OE1 GLU A 85 1.499 10.048 -14.658 1.00 0.00 O ATOM 1318 OE2 GLU A 85 1.251 12.132 -15.263 1.00 0.00 O ATOM 0 H GLU A 85 -3.726 10.774 -13.091 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.918 11.988 -15.652 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.277 11.380 -13.794 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.661 9.699 -14.107 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.574 9.674 -16.150 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.842 11.380 -16.446 1.00 0.00 H new ATOM 1325 N ASP A 86 -3.815 10.317 -17.181 1.00 0.00 N ATOM 1326 CA ASP A 86 -4.469 9.414 -18.130 1.00 0.00 C ATOM 1327 C ASP A 86 -3.570 8.238 -18.497 1.00 0.00 C ATOM 1328 O ASP A 86 -4.044 7.229 -19.021 1.00 0.00 O ATOM 1329 CB ASP A 86 -4.863 10.163 -19.411 1.00 0.00 C ATOM 1330 CG ASP A 86 -3.661 10.609 -20.229 1.00 0.00 C ATOM 1331 OD1 ASP A 86 -3.091 11.678 -19.921 1.00 0.00 O ATOM 1332 OD2 ASP A 86 -3.284 9.894 -21.179 1.00 0.00 O ATOM 0 H ASP A 86 -3.511 11.200 -17.591 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.364 9.031 -17.640 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.494 9.519 -20.023 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.460 11.036 -19.147 1.00 0.00 H new ATOM 1337 N SER A 87 -2.282 8.365 -18.203 1.00 0.00 N ATOM 1338 CA SER A 87 -1.300 7.358 -18.593 1.00 0.00 C ATOM 1339 C SER A 87 -1.576 6.014 -17.911 1.00 0.00 C ATOM 1340 O SER A 87 -1.286 4.956 -18.466 1.00 0.00 O ATOM 1341 CB SER A 87 0.116 7.848 -18.255 1.00 0.00 C ATOM 1342 OG SER A 87 1.108 7.050 -18.881 1.00 0.00 O ATOM 0 H SER A 87 -1.891 9.158 -17.694 1.00 0.00 H new ATOM 0 HA SER A 87 -1.380 7.206 -19.669 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.228 8.885 -18.573 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.260 7.828 -17.175 1.00 0.00 H new ATOM 0 HG SER A 87 1.997 7.390 -18.647 1.00 0.00 H new ATOM 1348 N TYR A 88 -2.161 6.055 -16.719 1.00 0.00 N ATOM 1349 CA TYR A 88 -2.417 4.834 -15.963 1.00 0.00 C ATOM 1350 C TYR A 88 -3.898 4.468 -15.980 1.00 0.00 C ATOM 1351 O TYR A 88 -4.283 3.384 -15.538 1.00 0.00 O ATOM 1352 CB TYR A 88 -1.955 4.992 -14.513 1.00 0.00 C ATOM 1353 CG TYR A 88 -0.502 5.378 -14.367 1.00 0.00 C ATOM 1354 CD1 TYR A 88 0.511 4.482 -14.677 1.00 0.00 C ATOM 1355 CD2 TYR A 88 -0.148 6.640 -13.916 1.00 0.00 C ATOM 1356 CE1 TYR A 88 1.841 4.833 -14.539 1.00 0.00 C ATOM 1357 CE2 TYR A 88 1.178 7.001 -13.774 1.00 0.00 C ATOM 1358 CZ TYR A 88 2.169 6.095 -14.087 1.00 0.00 C ATOM 1359 OH TYR A 88 3.492 6.448 -13.942 1.00 0.00 O ATOM 0 H TYR A 88 -2.465 6.913 -16.258 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.853 4.033 -16.441 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.571 5.748 -14.027 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.126 4.054 -13.984 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.256 3.494 -15.032 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.922 7.353 -13.672 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.618 4.124 -14.783 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.437 7.988 -13.420 1.00 0.00 H new ATOM 0 HH TYR A 88 3.652 7.306 -14.387 1.00 0.00 H new ATOM 1369 N GLN A 89 -4.726 5.362 -16.501 1.00 0.00 N ATOM 1370 CA GLN A 89 -6.169 5.169 -16.453 1.00 0.00 C ATOM 1371 C GLN A 89 -6.667 4.263 -17.572 1.00 0.00 C ATOM 1372 O GLN A 89 -7.238 4.719 -18.565 1.00 0.00 O ATOM 1373 CB GLN A 89 -6.905 6.508 -16.465 1.00 0.00 C ATOM 1374 CG GLN A 89 -7.008 7.137 -15.085 1.00 0.00 C ATOM 1375 CD GLN A 89 -7.693 8.487 -15.096 1.00 0.00 C ATOM 1376 OE1 GLN A 89 -8.918 8.578 -15.007 1.00 0.00 O ATOM 1377 NE2 GLN A 89 -6.903 9.545 -15.179 1.00 0.00 N ATOM 0 H GLN A 89 -4.427 6.223 -16.959 1.00 0.00 H new ATOM 0 HA GLN A 89 -6.390 4.666 -15.512 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -6.388 7.195 -17.135 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.907 6.363 -16.869 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.556 6.464 -14.426 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.007 7.248 -14.667 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -5.893 9.423 -15.251 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.304 10.483 -15.171 1.00 0.00 H new ATOM 1386 N ASP A 90 -6.413 2.974 -17.406 1.00 0.00 N ATOM 1387 CA ASP A 90 -6.983 1.948 -18.271 1.00 0.00 C ATOM 1388 C ASP A 90 -7.340 0.730 -17.433 1.00 0.00 C ATOM 1389 O ASP A 90 -8.425 0.162 -17.563 1.00 0.00 O ATOM 1390 CB ASP A 90 -6.011 1.549 -19.384 1.00 0.00 C ATOM 1391 CG ASP A 90 -6.629 0.542 -20.336 1.00 0.00 C ATOM 1392 OD1 ASP A 90 -7.469 0.948 -21.172 1.00 0.00 O ATOM 1393 OD2 ASP A 90 -6.289 -0.656 -20.256 1.00 0.00 O ATOM 0 H ASP A 90 -5.808 2.609 -16.671 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.878 2.353 -18.743 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.710 2.437 -19.939 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.108 1.127 -18.944 1.00 0.00 H new ATOM 1398 N VAL A 91 -6.414 0.341 -16.567 1.00 0.00 N ATOM 1399 CA VAL A 91 -6.652 -0.730 -15.606 1.00 0.00 C ATOM 1400 C VAL A 91 -7.056 -0.145 -14.256 1.00 0.00 C ATOM 1401 O VAL A 91 -7.223 -0.861 -13.272 1.00 0.00 O ATOM 1402 CB VAL A 91 -5.403 -1.626 -15.429 1.00 0.00 C ATOM 1403 CG1 VAL A 91 -5.085 -2.363 -16.723 1.00 0.00 C ATOM 1404 CG2 VAL A 91 -4.205 -0.803 -14.966 1.00 0.00 C ATOM 0 H VAL A 91 -5.483 0.755 -16.510 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.461 -1.348 -15.996 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.621 -2.366 -14.659 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.204 -2.988 -16.579 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.932 -2.989 -17.003 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.891 -1.640 -17.515 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.339 -1.455 -14.849 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.983 -0.035 -15.707 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.435 -0.330 -14.011 1.00 0.00 H new ATOM 1414 N TYR A 92 -7.214 1.171 -14.229 1.00 0.00 N ATOM 1415 CA TYR A 92 -7.620 1.878 -13.028 1.00 0.00 C ATOM 1416 C TYR A 92 -9.097 2.235 -13.111 1.00 0.00 C ATOM 1417 O TYR A 92 -9.582 2.643 -14.167 1.00 0.00 O ATOM 1418 CB TYR A 92 -6.775 3.145 -12.848 1.00 0.00 C ATOM 1419 CG TYR A 92 -7.272 4.064 -11.756 1.00 0.00 C ATOM 1420 CD1 TYR A 92 -7.160 3.711 -10.419 1.00 0.00 C ATOM 1421 CD2 TYR A 92 -7.868 5.280 -12.067 1.00 0.00 C ATOM 1422 CE1 TYR A 92 -7.622 4.546 -9.421 1.00 0.00 C ATOM 1423 CE2 TYR A 92 -8.334 6.119 -11.077 1.00 0.00 C ATOM 1424 CZ TYR A 92 -8.211 5.747 -9.758 1.00 0.00 C ATOM 1425 OH TYR A 92 -8.679 6.580 -8.770 1.00 0.00 O ATOM 0 H TYR A 92 -7.064 1.775 -15.037 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.462 1.231 -12.165 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -5.748 2.856 -12.626 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -6.756 3.693 -13.790 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.704 2.768 -10.155 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.968 5.573 -13.102 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -7.523 4.261 -8.384 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -8.793 7.062 -11.335 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.064 7.385 -9.176 1.00 0.00 H new ATOM 1435 N LEU A 93 -9.809 2.076 -12.008 1.00 0.00 N ATOM 1436 CA LEU A 93 -11.231 2.376 -11.977 1.00 0.00 C ATOM 1437 C LEU A 93 -11.469 3.869 -11.772 1.00 0.00 C ATOM 1438 O LEU A 93 -11.570 4.350 -10.643 1.00 0.00 O ATOM 1439 CB LEU A 93 -11.934 1.566 -10.886 1.00 0.00 C ATOM 1440 CG LEU A 93 -11.970 0.055 -11.126 1.00 0.00 C ATOM 1441 CD1 LEU A 93 -12.656 -0.657 -9.971 1.00 0.00 C ATOM 1442 CD2 LEU A 93 -12.676 -0.253 -12.436 1.00 0.00 C ATOM 0 H LEU A 93 -9.427 1.741 -11.123 1.00 0.00 H new ATOM 0 HA LEU A 93 -11.654 2.093 -12.941 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -11.436 1.756 -9.935 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -12.957 1.928 -10.788 1.00 0.00 H new ATOM 0 HG LEU A 93 -10.944 -0.309 -11.189 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.671 -1.730 -10.162 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -12.112 -0.460 -9.047 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.678 -0.292 -9.874 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.695 -1.331 -12.595 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -13.697 0.126 -12.397 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -12.143 0.225 -13.258 1.00 0.00 H new