USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 584 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 70 HIS : no HD1:sc= -0.127 X(o=-0.48,f=-0.14) USER MOD Set 1.2: A 73 HIS : no HD1:sc= -0.349 X(o=-0.48,f=-0.074) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.00486 (180deg=-0.119) USER MOD Single : A 3 MET CE :methyl 146:sc= -1.53 (180deg=-4.83!) USER MOD Single : A 4 ASN : amide:sc= 0.431 K(o=0.43,f=-5.6!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 171:sc= 1.14 (180deg=1.14) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= -0.084 (180deg=-0.445) USER MOD Single : A 23 ASN : amide:sc= -0.233 X(o=-0.23,f=0) USER MOD Single : A 26 ASN : amide:sc= 1.09 K(o=1.1,f=-0.48) USER MOD Single : A 28 TYR OH : rot -54:sc= 0.563 USER MOD Single : A 30 HIS : no HD1:sc= -1.81 K(o=-1.8,f=-2.8!) USER MOD Single : A 33 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0764) USER MOD Single : A 36 ASN : amide:sc= -4.98! C(o=-5!,f=-12!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0103 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0555 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.315 X(o=0.32,f=-0.045) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -147:sc= -0.678 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.0416 X(o=-0.042,f=-0.087) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.206 -4.354 -4.487 1.00 0.00 N ATOM 2 CA MET A 1 -14.425 -3.561 -3.259 1.00 0.00 C ATOM 3 C MET A 1 -13.089 -3.124 -2.682 1.00 0.00 C ATOM 4 O MET A 1 -12.121 -3.883 -2.714 1.00 0.00 O ATOM 5 CB MET A 1 -15.188 -4.379 -2.212 1.00 0.00 C ATOM 6 CG MET A 1 -16.597 -4.772 -2.631 1.00 0.00 C ATOM 7 SD MET A 1 -17.419 -5.802 -1.397 1.00 0.00 S ATOM 8 CE MET A 1 -19.032 -6.014 -2.145 1.00 0.00 C ATOM 0 H1 MET A 1 -14.740 -3.932 -5.273 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.193 -4.359 -4.721 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.531 -5.330 -4.333 1.00 0.00 H new ATOM 0 HA MET A 1 -15.018 -2.684 -3.519 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.621 -5.284 -1.991 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.243 -3.804 -1.288 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.187 -3.872 -2.800 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.555 -5.309 -3.579 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.655 -6.631 -1.497 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.501 -5.040 -2.280 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.923 -6.501 -3.114 1.00 0.00 H new ATOM 20 N ALA A 2 -13.036 -1.903 -2.165 1.00 0.00 N ATOM 21 CA ALA A 2 -11.821 -1.396 -1.548 1.00 0.00 C ATOM 22 C ALA A 2 -11.562 -2.110 -0.231 1.00 0.00 C ATOM 23 O ALA A 2 -12.340 -1.994 0.722 1.00 0.00 O ATOM 24 CB ALA A 2 -11.903 0.110 -1.338 1.00 0.00 C ATOM 0 H ALA A 2 -13.818 -1.249 -2.161 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.987 -1.594 -2.221 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.982 0.464 -0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.039 0.605 -2.300 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.747 0.341 -0.689 1.00 0.00 H new ATOM 30 N MET A 3 -10.474 -2.857 -0.186 1.00 0.00 N ATOM 31 CA MET A 3 -10.132 -3.640 0.985 1.00 0.00 C ATOM 32 C MET A 3 -8.983 -2.989 1.733 1.00 0.00 C ATOM 33 O MET A 3 -8.240 -2.182 1.173 1.00 0.00 O ATOM 34 CB MET A 3 -9.763 -5.070 0.586 1.00 0.00 C ATOM 35 CG MET A 3 -10.846 -5.778 -0.214 1.00 0.00 C ATOM 36 SD MET A 3 -10.485 -7.522 -0.482 1.00 0.00 S ATOM 37 CE MET A 3 -10.578 -8.133 1.201 1.00 0.00 C ATOM 0 H MET A 3 -9.808 -2.937 -0.954 1.00 0.00 H new ATOM 0 HA MET A 3 -11.001 -3.679 1.642 1.00 0.00 H new ATOM 0 HB2 MET A 3 -8.845 -5.049 -0.001 1.00 0.00 H new ATOM 0 HB3 MET A 3 -9.553 -5.647 1.487 1.00 0.00 H new ATOM 0 HG2 MET A 3 -11.798 -5.684 0.309 1.00 0.00 H new ATOM 0 HG3 MET A 3 -10.962 -5.283 -1.178 1.00 0.00 H new ATOM 0 HE1 MET A 3 -10.976 -9.148 1.198 1.00 0.00 H new ATOM 0 HE2 MET A 3 -9.582 -8.135 1.643 1.00 0.00 H new ATOM 0 HE3 MET A 3 -11.233 -7.488 1.787 1.00 0.00 H new ATOM 47 N ASN A 4 -8.849 -3.331 2.999 1.00 0.00 N ATOM 48 CA ASN A 4 -7.814 -2.762 3.840 1.00 0.00 C ATOM 49 C ASN A 4 -6.631 -3.712 3.973 1.00 0.00 C ATOM 50 O ASN A 4 -6.791 -4.932 4.040 1.00 0.00 O ATOM 51 CB ASN A 4 -8.368 -2.416 5.229 1.00 0.00 C ATOM 52 CG ASN A 4 -9.000 -3.603 5.942 1.00 0.00 C ATOM 53 OD1 ASN A 4 -9.558 -4.503 5.313 1.00 0.00 O ATOM 54 ND2 ASN A 4 -8.924 -3.609 7.262 1.00 0.00 N ATOM 0 H ASN A 4 -9.450 -4.006 3.472 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.468 -1.845 3.362 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.561 -2.019 5.845 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.111 -1.625 5.129 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.336 -4.376 7.793 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.454 -2.846 7.749 1.00 0.00 H new ATOM 61 N GLY A 5 -5.445 -3.131 3.993 1.00 0.00 N ATOM 62 CA GLY A 5 -4.234 -3.891 4.183 1.00 0.00 C ATOM 63 C GLY A 5 -3.284 -3.174 5.112 1.00 0.00 C ATOM 64 O GLY A 5 -3.482 -1.996 5.416 1.00 0.00 O ATOM 0 H GLY A 5 -5.300 -2.128 3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.477 -4.872 4.592 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.750 -4.058 3.220 1.00 0.00 H new ATOM 68 N THR A 6 -2.262 -3.868 5.569 1.00 0.00 N ATOM 69 CA THR A 6 -1.306 -3.284 6.489 1.00 0.00 C ATOM 70 C THR A 6 0.045 -3.088 5.811 1.00 0.00 C ATOM 71 O THR A 6 0.519 -3.954 5.071 1.00 0.00 O ATOM 72 CB THR A 6 -1.131 -4.170 7.730 1.00 0.00 C ATOM 73 OG1 THR A 6 -2.416 -4.604 8.192 1.00 0.00 O ATOM 74 CG2 THR A 6 -0.417 -3.420 8.843 1.00 0.00 C ATOM 0 H THR A 6 -2.071 -4.838 5.318 1.00 0.00 H new ATOM 0 HA THR A 6 -1.694 -2.314 6.798 1.00 0.00 H new ATOM 0 HB THR A 6 -0.523 -5.032 7.454 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.305 -5.171 8.983 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.307 -4.072 9.709 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.568 -3.107 8.497 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.999 -2.542 9.122 1.00 0.00 H new ATOM 82 N ILE A 7 0.653 -1.947 6.073 1.00 0.00 N ATOM 83 CA ILE A 7 1.942 -1.605 5.495 1.00 0.00 C ATOM 84 C ILE A 7 3.051 -2.317 6.256 1.00 0.00 C ATOM 85 O ILE A 7 3.232 -2.094 7.455 1.00 0.00 O ATOM 86 CB ILE A 7 2.187 -0.083 5.533 1.00 0.00 C ATOM 87 CG1 ILE A 7 1.015 0.653 4.879 1.00 0.00 C ATOM 88 CG2 ILE A 7 3.496 0.265 4.835 1.00 0.00 C ATOM 89 CD1 ILE A 7 1.091 2.158 5.015 1.00 0.00 C ATOM 0 H ILE A 7 0.270 -1.231 6.691 1.00 0.00 H new ATOM 0 HA ILE A 7 1.941 -1.926 4.453 1.00 0.00 H new ATOM 0 HB ILE A 7 2.262 0.234 6.573 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.980 0.394 3.821 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.084 0.303 5.324 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.652 1.343 4.872 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.322 -0.239 5.338 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.452 -0.060 3.796 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.228 2.611 4.528 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.095 2.428 6.071 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.005 2.520 4.544 1.00 0.00 H new ATOM 101 N THR A 8 3.782 -3.180 5.566 1.00 0.00 N ATOM 102 CA THR A 8 4.803 -3.981 6.207 1.00 0.00 C ATOM 103 C THR A 8 6.196 -3.518 5.810 1.00 0.00 C ATOM 104 O THR A 8 7.097 -3.412 6.645 1.00 0.00 O ATOM 105 CB THR A 8 4.624 -5.459 5.842 1.00 0.00 C ATOM 106 OG1 THR A 8 4.448 -5.596 4.426 1.00 0.00 O ATOM 107 CG2 THR A 8 3.425 -6.053 6.563 1.00 0.00 C ATOM 0 H THR A 8 3.684 -3.340 4.563 1.00 0.00 H new ATOM 0 HA THR A 8 4.696 -3.859 7.285 1.00 0.00 H new ATOM 0 HB THR A 8 5.520 -5.997 6.152 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.336 -6.543 4.200 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.318 -7.102 6.288 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.572 -5.973 7.640 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.524 -5.510 6.279 1.00 0.00 H new ATOM 115 N THR A 9 6.369 -3.248 4.530 1.00 0.00 N ATOM 116 CA THR A 9 7.634 -2.764 4.014 1.00 0.00 C ATOM 117 C THR A 9 7.388 -1.629 3.029 1.00 0.00 C ATOM 118 O THR A 9 6.673 -1.801 2.051 1.00 0.00 O ATOM 119 CB THR A 9 8.408 -3.903 3.321 1.00 0.00 C ATOM 120 OG1 THR A 9 8.512 -5.022 4.212 1.00 0.00 O ATOM 121 CG2 THR A 9 9.802 -3.451 2.912 1.00 0.00 C ATOM 0 H THR A 9 5.642 -3.357 3.823 1.00 0.00 H new ATOM 0 HA THR A 9 8.233 -2.396 4.847 1.00 0.00 H new ATOM 0 HB THR A 9 7.862 -4.190 2.422 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.003 -5.747 3.771 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.324 -4.275 2.426 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.724 -2.612 2.220 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.358 -3.141 3.797 1.00 0.00 H new ATOM 129 N TRP A 10 7.959 -0.468 3.293 1.00 0.00 N ATOM 130 CA TRP A 10 7.741 0.689 2.437 1.00 0.00 C ATOM 131 C TRP A 10 9.034 1.464 2.247 1.00 0.00 C ATOM 132 O TRP A 10 9.740 1.756 3.216 1.00 0.00 O ATOM 133 CB TRP A 10 6.654 1.591 3.035 1.00 0.00 C ATOM 134 CG TRP A 10 6.436 2.865 2.273 1.00 0.00 C ATOM 135 CD1 TRP A 10 6.736 4.128 2.695 1.00 0.00 C ATOM 136 CD2 TRP A 10 5.878 3.003 0.959 1.00 0.00 C ATOM 137 NE1 TRP A 10 6.392 5.042 1.730 1.00 0.00 N ATOM 138 CE2 TRP A 10 5.867 4.377 0.654 1.00 0.00 C ATOM 139 CE3 TRP A 10 5.387 2.099 0.010 1.00 0.00 C ATOM 140 CZ2 TRP A 10 5.387 4.870 -0.558 1.00 0.00 C ATOM 141 CZ3 TRP A 10 4.908 2.590 -1.192 1.00 0.00 C ATOM 142 CH2 TRP A 10 4.912 3.963 -1.466 1.00 0.00 C ATOM 0 H TRP A 10 8.575 -0.299 4.089 1.00 0.00 H new ATOM 0 HA TRP A 10 7.406 0.341 1.460 1.00 0.00 H new ATOM 0 HB2 TRP A 10 5.716 1.037 3.074 1.00 0.00 H new ATOM 0 HB3 TRP A 10 6.923 1.835 4.063 1.00 0.00 H new ATOM 0 HD1 TRP A 10 7.179 4.373 3.649 1.00 0.00 H new ATOM 0 HE1 TRP A 10 6.509 6.053 1.803 1.00 0.00 H new ATOM 0 HE3 TRP A 10 5.382 1.038 0.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 5.390 5.928 -0.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 4.525 1.902 -1.931 1.00 0.00 H new ATOM 0 HH2 TRP A 10 4.532 4.314 -2.414 1.00 0.00 H new ATOM 153 N PHE A 11 9.351 1.773 0.998 1.00 0.00 N ATOM 154 CA PHE A 11 10.530 2.558 0.678 1.00 0.00 C ATOM 155 C PHE A 11 10.117 3.895 0.077 1.00 0.00 C ATOM 156 O PHE A 11 9.942 4.012 -1.138 1.00 0.00 O ATOM 157 CB PHE A 11 11.439 1.809 -0.301 1.00 0.00 C ATOM 158 CG PHE A 11 11.858 0.445 0.167 1.00 0.00 C ATOM 159 CD1 PHE A 11 12.858 0.299 1.117 1.00 0.00 C ATOM 160 CD2 PHE A 11 11.256 -0.692 -0.346 1.00 0.00 C ATOM 161 CE1 PHE A 11 13.248 -0.955 1.543 1.00 0.00 C ATOM 162 CE2 PHE A 11 11.643 -1.948 0.077 1.00 0.00 C ATOM 163 CZ PHE A 11 12.641 -2.080 1.021 1.00 0.00 C ATOM 0 H PHE A 11 8.803 1.489 0.186 1.00 0.00 H new ATOM 0 HA PHE A 11 11.085 2.730 1.600 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.922 1.710 -1.256 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.331 2.408 -0.482 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.337 1.176 1.528 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.475 -0.595 -1.085 1.00 0.00 H new ATOM 0 HE1 PHE A 11 14.027 -1.056 2.284 1.00 0.00 H new ATOM 0 HE2 PHE A 11 11.165 -2.827 -0.331 1.00 0.00 H new ATOM 0 HZ PHE A 11 12.947 -3.062 1.351 1.00 0.00 H new ATOM 173 N LYS A 12 9.945 4.893 0.934 1.00 0.00 N ATOM 174 CA LYS A 12 9.546 6.229 0.505 1.00 0.00 C ATOM 175 C LYS A 12 10.663 6.864 -0.313 1.00 0.00 C ATOM 176 O LYS A 12 10.426 7.713 -1.166 1.00 0.00 O ATOM 177 CB LYS A 12 9.230 7.092 1.734 1.00 0.00 C ATOM 178 CG LYS A 12 7.963 7.933 1.611 1.00 0.00 C ATOM 179 CD LYS A 12 8.132 9.114 0.669 1.00 0.00 C ATOM 180 CE LYS A 12 6.865 9.956 0.612 1.00 0.00 C ATOM 181 NZ LYS A 12 7.032 11.169 -0.233 1.00 0.00 N ATOM 0 H LYS A 12 10.077 4.801 1.941 1.00 0.00 H new ATOM 0 HA LYS A 12 8.653 6.158 -0.117 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.136 6.442 2.604 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.074 7.756 1.922 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.147 7.304 1.255 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.677 8.298 2.597 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.967 9.731 1.000 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.378 8.754 -0.330 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.047 9.352 0.219 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.584 10.255 1.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.109 11.629 -0.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.684 11.831 0.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.421 10.897 -1.158 1.00 0.00 H new ATOM 195 N ASP A 13 11.884 6.421 -0.045 1.00 0.00 N ATOM 196 CA ASP A 13 13.064 6.934 -0.731 1.00 0.00 C ATOM 197 C ASP A 13 13.257 6.246 -2.082 1.00 0.00 C ATOM 198 O ASP A 13 13.926 6.774 -2.969 1.00 0.00 O ATOM 199 CB ASP A 13 14.302 6.732 0.151 1.00 0.00 C ATOM 200 CG ASP A 13 15.577 7.269 -0.473 1.00 0.00 C ATOM 201 OD1 ASP A 13 15.728 8.505 -0.565 1.00 0.00 O ATOM 202 OD2 ASP A 13 16.451 6.454 -0.841 1.00 0.00 O ATOM 0 H ASP A 13 12.085 5.701 0.649 1.00 0.00 H new ATOM 0 HA ASP A 13 12.922 7.999 -0.915 1.00 0.00 H new ATOM 0 HB2 ASP A 13 14.140 7.223 1.110 1.00 0.00 H new ATOM 0 HB3 ASP A 13 14.425 5.668 0.354 1.00 0.00 H new ATOM 207 N LYS A 14 12.657 5.070 -2.241 1.00 0.00 N ATOM 208 CA LYS A 14 12.779 4.322 -3.486 1.00 0.00 C ATOM 209 C LYS A 14 11.572 4.575 -4.384 1.00 0.00 C ATOM 210 O LYS A 14 11.717 4.797 -5.587 1.00 0.00 O ATOM 211 CB LYS A 14 12.925 2.824 -3.209 1.00 0.00 C ATOM 212 CG LYS A 14 13.479 2.044 -4.390 1.00 0.00 C ATOM 213 CD LYS A 14 13.952 0.657 -3.979 1.00 0.00 C ATOM 214 CE LYS A 14 14.526 -0.105 -5.167 1.00 0.00 C ATOM 215 NZ LYS A 14 15.084 -1.424 -4.770 1.00 0.00 N ATOM 0 H LYS A 14 12.085 4.618 -1.528 1.00 0.00 H new ATOM 0 HA LYS A 14 13.676 4.667 -4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.581 2.683 -2.350 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.952 2.415 -2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.711 1.953 -5.158 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.309 2.595 -4.832 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.709 0.744 -3.200 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.119 0.098 -3.553 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.746 -0.252 -5.914 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.308 0.492 -5.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.463 -1.907 -5.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.847 -1.284 -4.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.333 -2.005 -4.346 1.00 0.00 H new ATOM 229 N GLY A 15 10.379 4.542 -3.798 1.00 0.00 N ATOM 230 CA GLY A 15 9.182 4.840 -4.559 1.00 0.00 C ATOM 231 C GLY A 15 8.158 3.720 -4.540 1.00 0.00 C ATOM 232 O GLY A 15 7.072 3.864 -5.106 1.00 0.00 O ATOM 0 H GLY A 15 10.221 4.316 -2.816 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.725 5.746 -4.162 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.460 5.050 -5.592 1.00 0.00 H new ATOM 236 N PHE A 16 8.481 2.604 -3.901 1.00 0.00 N ATOM 237 CA PHE A 16 7.535 1.497 -3.830 1.00 0.00 C ATOM 238 C PHE A 16 7.689 0.708 -2.535 1.00 0.00 C ATOM 239 O PHE A 16 8.550 1.015 -1.708 1.00 0.00 O ATOM 240 CB PHE A 16 7.672 0.575 -5.050 1.00 0.00 C ATOM 241 CG PHE A 16 8.998 -0.120 -5.187 1.00 0.00 C ATOM 242 CD1 PHE A 16 9.264 -1.283 -4.480 1.00 0.00 C ATOM 243 CD2 PHE A 16 9.966 0.375 -6.042 1.00 0.00 C ATOM 244 CE1 PHE A 16 10.471 -1.934 -4.620 1.00 0.00 C ATOM 245 CE2 PHE A 16 11.174 -0.274 -6.190 1.00 0.00 C ATOM 246 CZ PHE A 16 11.428 -1.429 -5.477 1.00 0.00 C ATOM 0 H PHE A 16 9.372 2.441 -3.433 1.00 0.00 H new ATOM 0 HA PHE A 16 6.533 1.926 -3.838 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.888 -0.181 -5.003 1.00 0.00 H new ATOM 0 HB3 PHE A 16 7.494 1.163 -5.950 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.516 -1.684 -3.812 1.00 0.00 H new ATOM 0 HD2 PHE A 16 9.774 1.280 -6.600 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.667 -2.837 -4.061 1.00 0.00 H new ATOM 0 HE2 PHE A 16 11.921 0.121 -6.863 1.00 0.00 H new ATOM 0 HZ PHE A 16 12.375 -1.937 -5.590 1.00 0.00 H new ATOM 256 N GLY A 17 6.837 -0.297 -2.361 1.00 0.00 N ATOM 257 CA GLY A 17 6.863 -1.100 -1.157 1.00 0.00 C ATOM 258 C GLY A 17 5.906 -2.273 -1.229 1.00 0.00 C ATOM 259 O GLY A 17 5.421 -2.618 -2.310 1.00 0.00 O ATOM 0 H GLY A 17 6.125 -0.569 -3.039 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.875 -1.469 -0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.606 -0.476 -0.301 1.00 0.00 H new ATOM 263 N PHE A 18 5.616 -2.866 -0.077 1.00 0.00 N ATOM 264 CA PHE A 18 4.785 -4.052 0.001 1.00 0.00 C ATOM 265 C PHE A 18 3.727 -3.862 1.080 1.00 0.00 C ATOM 266 O PHE A 18 4.035 -3.446 2.201 1.00 0.00 O ATOM 267 CB PHE A 18 5.639 -5.279 0.342 1.00 0.00 C ATOM 268 CG PHE A 18 6.754 -5.547 -0.632 1.00 0.00 C ATOM 269 CD1 PHE A 18 6.530 -6.300 -1.771 1.00 0.00 C ATOM 270 CD2 PHE A 18 8.029 -5.048 -0.404 1.00 0.00 C ATOM 271 CE1 PHE A 18 7.554 -6.551 -2.666 1.00 0.00 C ATOM 272 CE2 PHE A 18 9.055 -5.295 -1.294 1.00 0.00 C ATOM 273 CZ PHE A 18 8.818 -6.047 -2.428 1.00 0.00 C ATOM 0 H PHE A 18 5.952 -2.535 0.827 1.00 0.00 H new ATOM 0 HA PHE A 18 4.305 -4.209 -0.965 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.065 -5.146 1.336 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.993 -6.156 0.387 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.544 -6.696 -1.963 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.221 -4.459 0.481 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.366 -7.141 -3.551 1.00 0.00 H new ATOM 0 HE2 PHE A 18 10.042 -4.901 -1.104 1.00 0.00 H new ATOM 0 HZ PHE A 18 9.619 -6.240 -3.127 1.00 0.00 H new ATOM 283 N ILE A 19 2.487 -4.153 0.737 1.00 0.00 N ATOM 284 CA ILE A 19 1.388 -4.052 1.684 1.00 0.00 C ATOM 285 C ILE A 19 0.571 -5.339 1.662 1.00 0.00 C ATOM 286 O ILE A 19 0.196 -5.824 0.595 1.00 0.00 O ATOM 287 CB ILE A 19 0.477 -2.840 1.371 1.00 0.00 C ATOM 288 CG1 ILE A 19 1.266 -1.532 1.510 1.00 0.00 C ATOM 289 CG2 ILE A 19 -0.740 -2.829 2.284 1.00 0.00 C ATOM 290 CD1 ILE A 19 0.482 -0.298 1.119 1.00 0.00 C ATOM 0 H ILE A 19 2.212 -4.463 -0.195 1.00 0.00 H new ATOM 0 HA ILE A 19 1.810 -3.902 2.678 1.00 0.00 H new ATOM 0 HB ILE A 19 0.128 -2.929 0.342 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.598 -1.427 2.543 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.162 -1.592 0.892 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.366 -1.969 2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.312 -3.745 2.139 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.415 -2.765 3.323 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.108 0.586 1.245 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.173 -0.378 0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.400 -0.211 1.754 1.00 0.00 H new ATOM 302 N LYS A 20 0.322 -5.895 2.837 1.00 0.00 N ATOM 303 CA LYS A 20 -0.400 -7.151 2.950 1.00 0.00 C ATOM 304 C LYS A 20 -1.836 -6.914 3.397 1.00 0.00 C ATOM 305 O LYS A 20 -2.076 -6.302 4.439 1.00 0.00 O ATOM 306 CB LYS A 20 0.307 -8.070 3.943 1.00 0.00 C ATOM 307 CG LYS A 20 -0.445 -9.359 4.220 1.00 0.00 C ATOM 308 CD LYS A 20 0.238 -10.172 5.302 1.00 0.00 C ATOM 309 CE LYS A 20 -0.555 -11.419 5.648 1.00 0.00 C ATOM 310 NZ LYS A 20 -1.946 -11.101 6.066 1.00 0.00 N ATOM 0 H LYS A 20 0.611 -5.494 3.729 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.419 -7.625 1.968 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.298 -8.313 3.559 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.451 -7.535 4.881 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.466 -9.129 4.525 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.510 -9.948 3.305 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.236 -10.456 4.969 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.362 -9.559 6.195 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.580 -12.083 4.784 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.050 -11.958 6.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.362 -11.925 6.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.936 -10.291 6.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.515 -10.864 5.228 1.00 0.00 H new ATOM 324 N ASP A 21 -2.782 -7.403 2.618 1.00 0.00 N ATOM 325 CA ASP A 21 -4.194 -7.254 2.946 1.00 0.00 C ATOM 326 C ASP A 21 -4.708 -8.483 3.675 1.00 0.00 C ATOM 327 O ASP A 21 -3.951 -9.412 3.967 1.00 0.00 O ATOM 328 CB ASP A 21 -5.030 -7.025 1.689 1.00 0.00 C ATOM 329 CG ASP A 21 -4.911 -8.163 0.697 1.00 0.00 C ATOM 330 OD1 ASP A 21 -3.835 -8.325 0.098 1.00 0.00 O ATOM 331 OD2 ASP A 21 -5.894 -8.902 0.510 1.00 0.00 O ATOM 0 H ASP A 21 -2.601 -7.909 1.751 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.289 -6.384 3.595 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.076 -6.900 1.970 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.715 -6.097 1.212 1.00 0.00 H new ATOM 336 N GLU A 22 -6.002 -8.493 3.950 1.00 0.00 N ATOM 337 CA GLU A 22 -6.615 -9.565 4.711 1.00 0.00 C ATOM 338 C GLU A 22 -7.129 -10.678 3.798 1.00 0.00 C ATOM 339 O GLU A 22 -7.549 -11.735 4.272 1.00 0.00 O ATOM 340 CB GLU A 22 -7.764 -9.010 5.551 1.00 0.00 C ATOM 341 CG GLU A 22 -7.360 -7.857 6.459 1.00 0.00 C ATOM 342 CD GLU A 22 -8.428 -7.517 7.480 1.00 0.00 C ATOM 343 OE1 GLU A 22 -9.575 -7.218 7.084 1.00 0.00 O ATOM 344 OE2 GLU A 22 -8.124 -7.551 8.691 1.00 0.00 O ATOM 0 H GLU A 22 -6.651 -7.764 3.654 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.854 -9.992 5.364 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.559 -8.675 4.885 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.177 -9.813 6.161 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.436 -8.114 6.977 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.150 -6.977 5.851 1.00 0.00 H new ATOM 351 N ASN A 23 -7.089 -10.448 2.492 1.00 0.00 N ATOM 352 CA ASN A 23 -7.619 -11.410 1.531 1.00 0.00 C ATOM 353 C ASN A 23 -6.517 -12.311 0.988 1.00 0.00 C ATOM 354 O ASN A 23 -6.574 -13.529 1.135 1.00 0.00 O ATOM 355 CB ASN A 23 -8.299 -10.689 0.363 1.00 0.00 C ATOM 356 CG ASN A 23 -8.819 -11.643 -0.700 1.00 0.00 C ATOM 357 OD1 ASN A 23 -8.697 -11.378 -1.897 1.00 0.00 O ATOM 358 ND2 ASN A 23 -9.434 -12.743 -0.283 1.00 0.00 N ATOM 0 H ASN A 23 -6.696 -9.605 2.073 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.351 -12.024 2.056 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -9.127 -10.092 0.744 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.590 -9.997 -0.092 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.822 -13.398 -0.961 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.518 -12.933 0.716 1.00 0.00 H new ATOM 365 N GLY A 24 -5.509 -11.708 0.373 1.00 0.00 N ATOM 366 CA GLY A 24 -4.493 -12.488 -0.304 1.00 0.00 C ATOM 367 C GLY A 24 -3.189 -12.586 0.463 1.00 0.00 C ATOM 368 O GLY A 24 -3.012 -13.474 1.300 1.00 0.00 O ATOM 0 H GLY A 24 -5.377 -10.697 0.331 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.877 -13.493 -0.481 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.298 -12.045 -1.280 1.00 0.00 H new ATOM 372 N ASP A 25 -2.282 -11.666 0.179 1.00 0.00 N ATOM 373 CA ASP A 25 -0.928 -11.707 0.719 1.00 0.00 C ATOM 374 C ASP A 25 -0.302 -10.333 0.516 1.00 0.00 C ATOM 375 O ASP A 25 -1.025 -9.338 0.439 1.00 0.00 O ATOM 376 CB ASP A 25 -0.107 -12.792 0.000 1.00 0.00 C ATOM 377 CG ASP A 25 1.121 -13.236 0.781 1.00 0.00 C ATOM 378 OD1 ASP A 25 2.201 -12.633 0.605 1.00 0.00 O ATOM 379 OD2 ASP A 25 1.012 -14.196 1.573 1.00 0.00 O ATOM 0 H ASP A 25 -2.461 -10.869 -0.432 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.945 -11.953 1.781 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.744 -13.657 -0.184 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.207 -12.415 -0.973 1.00 0.00 H new ATOM 384 N ASN A 26 1.016 -10.262 0.437 1.00 0.00 N ATOM 385 CA ASN A 26 1.685 -9.005 0.154 1.00 0.00 C ATOM 386 C ASN A 26 1.481 -8.630 -1.309 1.00 0.00 C ATOM 387 O ASN A 26 1.563 -9.478 -2.202 1.00 0.00 O ATOM 388 CB ASN A 26 3.179 -9.095 0.491 1.00 0.00 C ATOM 389 CG ASN A 26 4.013 -9.769 -0.591 1.00 0.00 C ATOM 390 OD1 ASN A 26 4.592 -9.104 -1.451 1.00 0.00 O ATOM 391 ND2 ASN A 26 4.068 -11.092 -0.564 1.00 0.00 N ATOM 0 H ASN A 26 1.642 -11.057 0.564 1.00 0.00 H new ATOM 0 HA ASN A 26 1.250 -8.226 0.780 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.565 -8.090 0.661 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.299 -9.645 1.425 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.604 -11.595 -1.272 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.575 -11.608 0.165 1.00 0.00 H new ATOM 398 N ARG A 27 1.173 -7.371 -1.544 1.00 0.00 N ATOM 399 CA ARG A 27 0.980 -6.877 -2.894 1.00 0.00 C ATOM 400 C ARG A 27 2.064 -5.870 -3.229 1.00 0.00 C ATOM 401 O ARG A 27 2.571 -5.175 -2.346 1.00 0.00 O ATOM 402 CB ARG A 27 -0.411 -6.256 -3.041 1.00 0.00 C ATOM 403 CG ARG A 27 -1.525 -7.191 -2.606 1.00 0.00 C ATOM 404 CD ARG A 27 -2.899 -6.641 -2.940 1.00 0.00 C ATOM 405 NE ARG A 27 -3.953 -7.462 -2.353 1.00 0.00 N ATOM 406 CZ ARG A 27 -4.995 -7.951 -3.016 1.00 0.00 C ATOM 407 NH1 ARG A 27 -5.134 -7.734 -4.324 1.00 0.00 N ATOM 408 NH2 ARG A 27 -5.903 -8.671 -2.366 1.00 0.00 N ATOM 0 H ARG A 27 1.050 -6.668 -0.815 1.00 0.00 H new ATOM 0 HA ARG A 27 1.050 -7.709 -3.595 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.459 -5.342 -2.450 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.568 -5.971 -4.081 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.395 -8.158 -3.091 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.455 -7.361 -1.532 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.984 -5.618 -2.572 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.025 -6.602 -4.022 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.884 -7.677 -1.358 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.436 -7.187 -4.827 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.939 -8.115 -4.821 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.797 -8.844 -1.366 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.707 -9.051 -2.867 1.00 0.00 H new ATOM 422 N TYR A 28 2.428 -5.811 -4.497 1.00 0.00 N ATOM 423 CA TYR A 28 3.471 -4.910 -4.950 1.00 0.00 C ATOM 424 C TYR A 28 2.869 -3.537 -5.229 1.00 0.00 C ATOM 425 O TYR A 28 2.012 -3.392 -6.101 1.00 0.00 O ATOM 426 CB TYR A 28 4.129 -5.477 -6.209 1.00 0.00 C ATOM 427 CG TYR A 28 5.503 -4.920 -6.502 1.00 0.00 C ATOM 428 CD1 TYR A 28 6.582 -5.232 -5.687 1.00 0.00 C ATOM 429 CD2 TYR A 28 5.726 -4.111 -7.608 1.00 0.00 C ATOM 430 CE1 TYR A 28 7.847 -4.754 -5.965 1.00 0.00 C ATOM 431 CE2 TYR A 28 6.989 -3.623 -7.890 1.00 0.00 C ATOM 432 CZ TYR A 28 8.045 -3.951 -7.066 1.00 0.00 C ATOM 433 OH TYR A 28 9.309 -3.483 -7.349 1.00 0.00 O ATOM 0 H TYR A 28 2.014 -6.380 -5.235 1.00 0.00 H new ATOM 0 HA TYR A 28 4.233 -4.808 -4.177 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.203 -6.560 -6.109 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.481 -5.280 -7.063 1.00 0.00 H new ATOM 0 HD1 TYR A 28 6.430 -5.859 -4.821 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.901 -3.859 -8.258 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.677 -5.009 -5.322 1.00 0.00 H new ATOM 0 HE2 TYR A 28 7.147 -2.989 -8.750 1.00 0.00 H new ATOM 0 HH TYR A 28 9.671 -3.023 -6.563 1.00 0.00 H new ATOM 443 N PHE A 29 3.294 -2.546 -4.464 1.00 0.00 N ATOM 444 CA PHE A 29 2.759 -1.197 -4.592 1.00 0.00 C ATOM 445 C PHE A 29 3.791 -0.252 -5.182 1.00 0.00 C ATOM 446 O PHE A 29 4.983 -0.541 -5.178 1.00 0.00 O ATOM 447 CB PHE A 29 2.303 -0.673 -3.230 1.00 0.00 C ATOM 448 CG PHE A 29 1.031 -1.295 -2.739 1.00 0.00 C ATOM 449 CD1 PHE A 29 1.024 -2.568 -2.200 1.00 0.00 C ATOM 450 CD2 PHE A 29 -0.163 -0.602 -2.820 1.00 0.00 C ATOM 451 CE1 PHE A 29 -0.149 -3.139 -1.751 1.00 0.00 C ATOM 452 CE2 PHE A 29 -1.340 -1.166 -2.372 1.00 0.00 C ATOM 453 CZ PHE A 29 -1.334 -2.437 -1.836 1.00 0.00 C ATOM 0 H PHE A 29 4.010 -2.649 -3.745 1.00 0.00 H new ATOM 0 HA PHE A 29 1.904 -1.242 -5.266 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.091 -0.854 -2.499 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.168 0.407 -3.293 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.948 -3.122 -2.130 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.174 0.393 -3.239 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.140 -4.135 -1.333 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.265 -0.613 -2.441 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.253 -2.881 -1.484 1.00 0.00 H new ATOM 463 N HIS A 30 3.313 0.877 -5.684 1.00 0.00 N ATOM 464 CA HIS A 30 4.168 1.911 -6.242 1.00 0.00 C ATOM 465 C HIS A 30 3.538 3.276 -5.963 1.00 0.00 C ATOM 466 O HIS A 30 2.323 3.433 -6.081 1.00 0.00 O ATOM 467 CB HIS A 30 4.354 1.673 -7.749 1.00 0.00 C ATOM 468 CG HIS A 30 5.279 2.639 -8.428 1.00 0.00 C ATOM 469 ND1 HIS A 30 5.023 3.156 -9.676 1.00 0.00 N ATOM 470 CD2 HIS A 30 6.447 3.197 -8.027 1.00 0.00 C ATOM 471 CE1 HIS A 30 5.978 3.997 -10.011 1.00 0.00 C ATOM 472 NE2 HIS A 30 6.856 4.041 -9.029 1.00 0.00 N ATOM 0 H HIS A 30 2.318 1.101 -5.715 1.00 0.00 H new ATOM 0 HA HIS A 30 5.154 1.882 -5.778 1.00 0.00 H new ATOM 0 HB2 HIS A 30 4.733 0.662 -7.899 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.379 1.723 -8.234 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.960 3.012 -7.094 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.033 4.556 -10.933 1.00 0.00 H new ATOM 0 HE2 HIS A 30 7.702 4.610 -9.016 1.00 0.00 H new ATOM 481 N VAL A 31 4.375 4.244 -5.590 1.00 0.00 N ATOM 482 CA VAL A 31 3.926 5.564 -5.125 1.00 0.00 C ATOM 483 C VAL A 31 2.916 6.234 -6.070 1.00 0.00 C ATOM 484 O VAL A 31 2.065 7.001 -5.628 1.00 0.00 O ATOM 485 CB VAL A 31 5.138 6.506 -4.911 1.00 0.00 C ATOM 486 CG1 VAL A 31 5.864 6.783 -6.219 1.00 0.00 C ATOM 487 CG2 VAL A 31 4.713 7.809 -4.253 1.00 0.00 C ATOM 0 H VAL A 31 5.389 4.138 -5.601 1.00 0.00 H new ATOM 0 HA VAL A 31 3.413 5.390 -4.179 1.00 0.00 H new ATOM 0 HB VAL A 31 5.830 5.995 -4.242 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.708 7.447 -6.033 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.226 5.845 -6.640 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.179 7.256 -6.922 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.585 8.449 -4.116 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.986 8.317 -4.887 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.263 7.597 -3.283 1.00 0.00 H new ATOM 497 N ILE A 32 2.999 5.925 -7.360 1.00 0.00 N ATOM 498 CA ILE A 32 2.126 6.538 -8.359 1.00 0.00 C ATOM 499 C ILE A 32 0.649 6.219 -8.097 1.00 0.00 C ATOM 500 O ILE A 32 -0.245 6.985 -8.464 1.00 0.00 O ATOM 501 CB ILE A 32 2.509 6.070 -9.781 1.00 0.00 C ATOM 502 CG1 ILE A 32 1.683 6.806 -10.827 1.00 0.00 C ATOM 503 CG2 ILE A 32 2.293 4.575 -9.919 1.00 0.00 C ATOM 504 CD1 ILE A 32 2.273 6.764 -12.221 1.00 0.00 C ATOM 0 H ILE A 32 3.664 5.252 -7.741 1.00 0.00 H new ATOM 0 HA ILE A 32 2.263 7.617 -8.283 1.00 0.00 H new ATOM 0 HB ILE A 32 3.563 6.295 -9.942 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.682 6.374 -10.854 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.573 7.847 -10.522 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.567 4.259 -10.926 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.913 4.049 -9.193 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.244 4.341 -9.738 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.626 7.311 -12.907 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.262 7.223 -12.212 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.357 5.728 -12.549 1.00 0.00 H new ATOM 516 N LYS A 33 0.405 5.091 -7.450 1.00 0.00 N ATOM 517 CA LYS A 33 -0.955 4.642 -7.183 1.00 0.00 C ATOM 518 C LYS A 33 -1.382 4.964 -5.755 1.00 0.00 C ATOM 519 O LYS A 33 -2.455 4.544 -5.312 1.00 0.00 O ATOM 520 CB LYS A 33 -1.082 3.138 -7.436 1.00 0.00 C ATOM 521 CG LYS A 33 -0.868 2.733 -8.888 1.00 0.00 C ATOM 522 CD LYS A 33 -1.830 3.453 -9.820 1.00 0.00 C ATOM 523 CE LYS A 33 -1.699 2.959 -11.254 1.00 0.00 C ATOM 524 NZ LYS A 33 -2.220 1.575 -11.418 1.00 0.00 N ATOM 0 H LYS A 33 1.132 4.467 -7.099 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.616 5.179 -7.864 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.358 2.613 -6.813 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.072 2.809 -7.120 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.158 2.956 -9.181 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.001 1.656 -8.989 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.853 3.302 -9.475 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.637 4.525 -9.785 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.241 3.631 -11.920 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.651 2.990 -11.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.269 1.340 -12.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.585 0.906 -10.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.170 1.510 -11.001 1.00 0.00 H new ATOM 538 N VAL A 34 -0.556 5.711 -5.039 1.00 0.00 N ATOM 539 CA VAL A 34 -0.878 6.093 -3.674 1.00 0.00 C ATOM 540 C VAL A 34 -1.400 7.526 -3.641 1.00 0.00 C ATOM 541 O VAL A 34 -0.728 8.449 -4.100 1.00 0.00 O ATOM 542 CB VAL A 34 0.340 5.968 -2.737 1.00 0.00 C ATOM 543 CG1 VAL A 34 -0.069 6.225 -1.297 1.00 0.00 C ATOM 544 CG2 VAL A 34 0.990 4.598 -2.868 1.00 0.00 C ATOM 0 H VAL A 34 0.339 6.063 -5.379 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.648 5.408 -3.318 1.00 0.00 H new ATOM 0 HB VAL A 34 1.072 6.720 -3.031 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.803 6.133 -0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.481 7.230 -1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.822 5.497 -0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.846 4.536 -2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.267 3.826 -2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.323 4.450 -3.895 1.00 0.00 H new ATOM 554 N ALA A 35 -2.597 7.701 -3.093 1.00 0.00 N ATOM 555 CA ALA A 35 -3.249 9.004 -3.069 1.00 0.00 C ATOM 556 C ALA A 35 -2.567 9.946 -2.084 1.00 0.00 C ATOM 557 O ALA A 35 -2.417 11.139 -2.355 1.00 0.00 O ATOM 558 CB ALA A 35 -4.722 8.847 -2.724 1.00 0.00 C ATOM 0 H ALA A 35 -3.137 6.953 -2.658 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.164 9.444 -4.063 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.199 9.827 -2.709 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.206 8.219 -3.472 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.818 8.382 -1.743 1.00 0.00 H new ATOM 564 N ASN A 36 -2.159 9.408 -0.944 1.00 0.00 N ATOM 565 CA ASN A 36 -1.494 10.199 0.088 1.00 0.00 C ATOM 566 C ASN A 36 -0.257 9.469 0.622 1.00 0.00 C ATOM 567 O ASN A 36 -0.282 8.867 1.696 1.00 0.00 O ATOM 568 CB ASN A 36 -2.473 10.554 1.227 1.00 0.00 C ATOM 569 CG ASN A 36 -3.191 9.349 1.823 1.00 0.00 C ATOM 570 OD1 ASN A 36 -3.415 8.335 1.160 1.00 0.00 O ATOM 571 ND2 ASN A 36 -3.583 9.463 3.082 1.00 0.00 N ATOM 0 H ASN A 36 -2.276 8.423 -0.707 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.159 11.133 -0.362 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.924 11.065 2.018 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.216 11.256 0.849 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.086 8.698 3.531 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.382 10.316 3.604 1.00 0.00 H new ATOM 578 N PRO A 37 0.852 9.511 -0.142 1.00 0.00 N ATOM 579 CA PRO A 37 2.067 8.751 0.172 1.00 0.00 C ATOM 580 C PRO A 37 2.913 9.357 1.290 1.00 0.00 C ATOM 581 O PRO A 37 3.729 8.663 1.893 1.00 0.00 O ATOM 582 CB PRO A 37 2.836 8.771 -1.146 1.00 0.00 C ATOM 583 CG PRO A 37 2.431 10.045 -1.798 1.00 0.00 C ATOM 584 CD PRO A 37 1.001 10.290 -1.390 1.00 0.00 C ATOM 0 HA PRO A 37 1.821 7.756 0.543 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.912 8.737 -0.977 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.583 7.911 -1.766 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.073 10.866 -1.480 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.520 9.973 -2.882 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.808 11.350 -1.225 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.303 9.954 -2.157 1.00 0.00 H new ATOM 592 N ASP A 38 2.725 10.638 1.577 1.00 0.00 N ATOM 593 CA ASP A 38 3.508 11.295 2.609 1.00 0.00 C ATOM 594 C ASP A 38 2.848 11.152 3.969 1.00 0.00 C ATOM 595 O ASP A 38 3.384 11.595 4.983 1.00 0.00 O ATOM 596 CB ASP A 38 3.726 12.765 2.267 1.00 0.00 C ATOM 597 CG ASP A 38 4.992 12.985 1.466 1.00 0.00 C ATOM 598 OD1 ASP A 38 4.945 12.878 0.221 1.00 0.00 O ATOM 599 OD2 ASP A 38 6.050 13.251 2.079 1.00 0.00 O ATOM 0 H ASP A 38 2.042 11.237 1.113 1.00 0.00 H new ATOM 0 HA ASP A 38 4.481 10.806 2.655 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.871 13.135 1.701 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.775 13.347 3.187 1.00 0.00 H new ATOM 604 N LEU A 39 1.680 10.531 3.987 1.00 0.00 N ATOM 605 CA LEU A 39 0.997 10.233 5.229 1.00 0.00 C ATOM 606 C LEU A 39 1.248 8.786 5.622 1.00 0.00 C ATOM 607 O LEU A 39 0.794 8.322 6.670 1.00 0.00 O ATOM 608 CB LEU A 39 -0.499 10.491 5.079 1.00 0.00 C ATOM 609 CG LEU A 39 -0.897 11.960 4.932 1.00 0.00 C ATOM 610 CD1 LEU A 39 -2.409 12.092 4.843 1.00 0.00 C ATOM 611 CD2 LEU A 39 -0.358 12.782 6.095 1.00 0.00 C ATOM 0 H LEU A 39 1.185 10.223 3.150 1.00 0.00 H new ATOM 0 HA LEU A 39 1.384 10.882 6.014 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.860 9.945 4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.011 10.078 5.948 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.460 12.344 4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.677 13.143 4.739 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.772 11.537 3.978 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.863 11.690 5.749 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.652 13.824 5.971 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.765 12.399 7.031 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.730 12.712 6.117 1.00 0.00 H new ATOM 623 N ILE A 40 1.985 8.087 4.769 1.00 0.00 N ATOM 624 CA ILE A 40 2.300 6.687 4.986 1.00 0.00 C ATOM 625 C ILE A 40 3.302 6.511 6.119 1.00 0.00 C ATOM 626 O ILE A 40 4.398 7.079 6.099 1.00 0.00 O ATOM 627 CB ILE A 40 2.862 6.032 3.703 1.00 0.00 C ATOM 628 CG1 ILE A 40 1.788 5.973 2.617 1.00 0.00 C ATOM 629 CG2 ILE A 40 3.396 4.638 4.000 1.00 0.00 C ATOM 630 CD1 ILE A 40 2.243 5.298 1.341 1.00 0.00 C ATOM 0 H ILE A 40 2.378 8.475 3.912 1.00 0.00 H new ATOM 0 HA ILE A 40 1.367 6.194 5.259 1.00 0.00 H new ATOM 0 HB ILE A 40 3.687 6.645 3.340 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.919 5.443 3.007 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.464 6.987 2.384 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.787 4.195 3.084 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.194 4.704 4.740 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.591 4.015 4.389 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.426 5.295 0.620 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.092 5.840 0.925 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.539 4.272 1.558 1.00 0.00 H new ATOM 642 N LYS A 41 2.903 5.740 7.116 1.00 0.00 N ATOM 643 CA LYS A 41 3.794 5.331 8.182 1.00 0.00 C ATOM 644 C LYS A 41 3.815 3.816 8.250 1.00 0.00 C ATOM 645 O LYS A 41 2.957 3.153 7.666 1.00 0.00 O ATOM 646 CB LYS A 41 3.362 5.926 9.524 1.00 0.00 C ATOM 647 CG LYS A 41 3.544 7.435 9.604 1.00 0.00 C ATOM 648 CD LYS A 41 4.990 7.830 9.343 1.00 0.00 C ATOM 649 CE LYS A 41 5.194 9.332 9.450 1.00 0.00 C ATOM 650 NZ LYS A 41 6.580 9.728 9.086 1.00 0.00 N ATOM 0 H LYS A 41 1.952 5.381 7.207 1.00 0.00 H new ATOM 0 HA LYS A 41 4.797 5.703 7.971 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.314 5.684 9.699 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.935 5.456 10.323 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.895 7.921 8.876 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.240 7.789 10.589 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.639 7.323 10.057 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.285 7.493 8.349 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.487 9.842 8.796 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.979 9.657 10.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.680 10.760 9.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.254 9.261 9.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.777 9.441 8.106 1.00 0.00 H new ATOM 664 N LYS A 42 4.785 3.265 8.950 1.00 0.00 N ATOM 665 CA LYS A 42 4.940 1.833 9.007 1.00 0.00 C ATOM 666 C LYS A 42 3.952 1.203 9.965 1.00 0.00 C ATOM 667 O LYS A 42 3.558 1.810 10.964 1.00 0.00 O ATOM 668 CB LYS A 42 6.365 1.483 9.391 1.00 0.00 C ATOM 669 CG LYS A 42 7.297 1.447 8.200 1.00 0.00 C ATOM 670 CD LYS A 42 8.746 1.506 8.632 1.00 0.00 C ATOM 671 CE LYS A 42 9.669 1.786 7.456 1.00 0.00 C ATOM 672 NZ LYS A 42 11.060 2.065 7.894 1.00 0.00 N ATOM 0 H LYS A 42 5.476 3.790 9.486 1.00 0.00 H new ATOM 0 HA LYS A 42 4.730 1.428 8.017 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.732 2.212 10.113 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.376 0.512 9.886 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.123 0.536 7.627 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.078 2.286 7.539 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.870 2.283 9.386 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.026 0.562 9.099 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.666 0.930 6.781 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.289 2.638 6.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.655 2.250 7.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.067 2.897 8.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.433 1.243 8.410 1.00 0.00 H new ATOM 686 N ASP A 43 3.559 -0.017 9.627 1.00 0.00 N ATOM 687 CA ASP A 43 2.594 -0.796 10.407 1.00 0.00 C ATOM 688 C ASP A 43 1.232 -0.086 10.474 1.00 0.00 C ATOM 689 O ASP A 43 0.447 -0.286 11.402 1.00 0.00 O ATOM 690 CB ASP A 43 3.146 -1.073 11.816 1.00 0.00 C ATOM 691 CG ASP A 43 2.340 -2.108 12.574 1.00 0.00 C ATOM 692 OD1 ASP A 43 2.305 -3.279 12.134 1.00 0.00 O ATOM 693 OD2 ASP A 43 1.730 -1.759 13.606 1.00 0.00 O ATOM 0 H ASP A 43 3.901 -0.502 8.798 1.00 0.00 H new ATOM 0 HA ASP A 43 2.439 -1.751 9.905 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.179 -1.412 11.736 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.159 -0.143 12.384 1.00 0.00 H new ATOM 698 N ALA A 44 0.945 0.728 9.463 1.00 0.00 N ATOM 699 CA ALA A 44 -0.335 1.421 9.377 1.00 0.00 C ATOM 700 C ALA A 44 -1.278 0.695 8.424 1.00 0.00 C ATOM 701 O ALA A 44 -0.845 -0.163 7.647 1.00 0.00 O ATOM 702 CB ALA A 44 -0.129 2.861 8.928 1.00 0.00 C ATOM 0 H ALA A 44 1.583 0.924 8.691 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.789 1.427 10.368 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.094 3.365 8.869 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.507 3.378 9.646 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.347 2.872 7.948 1.00 0.00 H new ATOM 708 N ALA A 45 -2.560 1.033 8.485 1.00 0.00 N ATOM 709 CA ALA A 45 -3.560 0.398 7.641 1.00 0.00 C ATOM 710 C ALA A 45 -3.966 1.309 6.490 1.00 0.00 C ATOM 711 O ALA A 45 -4.126 2.518 6.662 1.00 0.00 O ATOM 712 CB ALA A 45 -4.781 0.009 8.465 1.00 0.00 C ATOM 0 H ALA A 45 -2.931 1.746 9.113 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.119 -0.505 7.218 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.520 -0.465 7.819 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.484 -0.688 9.249 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.214 0.901 8.918 1.00 0.00 H new ATOM 718 N VAL A 46 -4.120 0.723 5.313 1.00 0.00 N ATOM 719 CA VAL A 46 -4.526 1.465 4.130 1.00 0.00 C ATOM 720 C VAL A 46 -5.663 0.746 3.419 1.00 0.00 C ATOM 721 O VAL A 46 -5.791 -0.473 3.519 1.00 0.00 O ATOM 722 CB VAL A 46 -3.352 1.658 3.142 1.00 0.00 C ATOM 723 CG1 VAL A 46 -2.260 2.508 3.765 1.00 0.00 C ATOM 724 CG2 VAL A 46 -2.787 0.318 2.698 1.00 0.00 C ATOM 0 H VAL A 46 -3.968 -0.273 5.151 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.859 2.447 4.465 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.737 2.175 2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.444 2.631 3.053 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.664 3.486 4.026 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.886 2.018 4.664 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.963 0.483 2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.425 -0.230 3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.568 -0.260 2.204 1.00 0.00 H new ATOM 734 N THR A 47 -6.490 1.504 2.722 1.00 0.00 N ATOM 735 CA THR A 47 -7.569 0.933 1.934 1.00 0.00 C ATOM 736 C THR A 47 -7.283 1.116 0.450 1.00 0.00 C ATOM 737 O THR A 47 -6.877 2.197 0.022 1.00 0.00 O ATOM 738 CB THR A 47 -8.925 1.575 2.285 1.00 0.00 C ATOM 739 OG1 THR A 47 -8.816 3.004 2.248 1.00 0.00 O ATOM 740 CG2 THR A 47 -9.395 1.135 3.664 1.00 0.00 C ATOM 0 H THR A 47 -6.435 2.522 2.685 1.00 0.00 H new ATOM 0 HA THR A 47 -7.627 -0.130 2.168 1.00 0.00 H new ATOM 0 HB THR A 47 -9.657 1.246 1.547 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.682 3.404 2.471 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.354 1.602 3.888 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.506 0.051 3.682 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.661 1.437 4.412 1.00 0.00 H new ATOM 748 N PHE A 48 -7.486 0.063 -0.326 1.00 0.00 N ATOM 749 CA PHE A 48 -7.159 0.090 -1.744 1.00 0.00 C ATOM 750 C PHE A 48 -8.043 -0.859 -2.537 1.00 0.00 C ATOM 751 O PHE A 48 -8.711 -1.725 -1.972 1.00 0.00 O ATOM 752 CB PHE A 48 -5.687 -0.284 -1.948 1.00 0.00 C ATOM 753 CG PHE A 48 -5.246 -1.488 -1.154 1.00 0.00 C ATOM 754 CD1 PHE A 48 -5.619 -2.770 -1.535 1.00 0.00 C ATOM 755 CD2 PHE A 48 -4.460 -1.335 -0.025 1.00 0.00 C ATOM 756 CE1 PHE A 48 -5.214 -3.870 -0.806 1.00 0.00 C ATOM 757 CE2 PHE A 48 -4.054 -2.434 0.709 1.00 0.00 C ATOM 758 CZ PHE A 48 -4.431 -3.702 0.318 1.00 0.00 C ATOM 0 H PHE A 48 -7.875 -0.821 0.001 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.335 1.102 -2.109 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.515 -0.477 -3.007 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.065 0.568 -1.674 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.233 -2.908 -2.412 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.160 -0.345 0.286 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.510 -4.862 -1.115 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.442 -2.300 1.588 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.114 -4.561 0.890 1.00 0.00 H new ATOM 768 N GLU A 49 -8.030 -0.692 -3.849 1.00 0.00 N ATOM 769 CA GLU A 49 -8.751 -1.585 -4.739 1.00 0.00 C ATOM 770 C GLU A 49 -7.811 -2.705 -5.182 1.00 0.00 C ATOM 771 O GLU A 49 -6.630 -2.463 -5.436 1.00 0.00 O ATOM 772 CB GLU A 49 -9.260 -0.809 -5.958 1.00 0.00 C ATOM 773 CG GLU A 49 -10.201 0.337 -5.613 1.00 0.00 C ATOM 774 CD GLU A 49 -11.660 -0.077 -5.572 1.00 0.00 C ATOM 775 OE1 GLU A 49 -11.978 -1.140 -5.005 1.00 0.00 O ATOM 776 OE2 GLU A 49 -12.503 0.662 -6.125 1.00 0.00 O ATOM 0 H GLU A 49 -7.525 0.057 -4.322 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.608 -2.012 -4.219 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.406 -0.412 -6.506 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.774 -1.499 -6.627 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.920 0.750 -4.644 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.077 1.133 -6.347 1.00 0.00 H new ATOM 783 N PRO A 50 -8.321 -3.934 -5.288 1.00 0.00 N ATOM 784 CA PRO A 50 -7.522 -5.106 -5.622 1.00 0.00 C ATOM 785 C PRO A 50 -7.408 -5.357 -7.124 1.00 0.00 C ATOM 786 O PRO A 50 -8.380 -5.218 -7.867 1.00 0.00 O ATOM 787 CB PRO A 50 -8.291 -6.255 -4.950 1.00 0.00 C ATOM 788 CG PRO A 50 -9.574 -5.667 -4.434 1.00 0.00 C ATOM 789 CD PRO A 50 -9.709 -4.302 -5.045 1.00 0.00 C ATOM 0 HA PRO A 50 -6.491 -4.992 -5.286 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.490 -7.056 -5.661 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.708 -6.688 -4.137 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -10.422 -6.296 -4.704 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.558 -5.603 -3.346 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.291 -4.324 -5.966 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -10.204 -3.602 -4.372 1.00 0.00 H new ATOM 797 N THR A 51 -6.215 -5.739 -7.562 1.00 0.00 N ATOM 798 CA THR A 51 -5.988 -6.131 -8.943 1.00 0.00 C ATOM 799 C THR A 51 -4.853 -7.154 -8.998 1.00 0.00 C ATOM 800 O THR A 51 -4.224 -7.440 -7.975 1.00 0.00 O ATOM 801 CB THR A 51 -5.669 -4.905 -9.837 1.00 0.00 C ATOM 802 OG1 THR A 51 -5.623 -5.289 -11.218 1.00 0.00 O ATOM 803 CG2 THR A 51 -4.346 -4.258 -9.446 1.00 0.00 C ATOM 0 H THR A 51 -5.384 -5.785 -6.973 1.00 0.00 H new ATOM 0 HA THR A 51 -6.901 -6.582 -9.332 1.00 0.00 H new ATOM 0 HB THR A 51 -6.467 -4.177 -9.688 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.422 -4.504 -11.769 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.154 -3.402 -10.093 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.396 -3.925 -8.409 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.540 -4.983 -9.555 1.00 0.00 H new ATOM 811 N THR A 52 -4.597 -7.713 -10.166 1.00 0.00 N ATOM 812 CA THR A 52 -3.569 -8.733 -10.300 1.00 0.00 C ATOM 813 C THR A 52 -2.592 -8.375 -11.413 1.00 0.00 C ATOM 814 O THR A 52 -2.945 -7.679 -12.367 1.00 0.00 O ATOM 815 CB THR A 52 -4.192 -10.107 -10.591 1.00 0.00 C ATOM 816 OG1 THR A 52 -5.417 -10.245 -9.857 1.00 0.00 O ATOM 817 CG2 THR A 52 -3.240 -11.228 -10.200 1.00 0.00 C ATOM 0 H THR A 52 -5.083 -7.481 -11.032 1.00 0.00 H new ATOM 0 HA THR A 52 -3.030 -8.781 -9.354 1.00 0.00 H new ATOM 0 HB THR A 52 -4.390 -10.176 -11.661 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.814 -11.121 -10.045 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.704 -12.191 -10.415 1.00 0.00 H new ATOM 0 HG22 THR A 52 -2.315 -11.135 -10.769 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.019 -11.162 -9.135 1.00 0.00 H new ATOM 825 N ASN A 53 -1.364 -8.844 -11.273 1.00 0.00 N ATOM 826 CA ASN A 53 -0.311 -8.598 -12.252 1.00 0.00 C ATOM 827 C ASN A 53 0.482 -9.875 -12.484 1.00 0.00 C ATOM 828 O ASN A 53 0.235 -10.887 -11.830 1.00 0.00 O ATOM 829 CB ASN A 53 0.631 -7.484 -11.773 1.00 0.00 C ATOM 830 CG ASN A 53 0.336 -6.127 -12.396 1.00 0.00 C ATOM 831 OD1 ASN A 53 1.248 -5.338 -12.642 1.00 0.00 O ATOM 832 ND2 ASN A 53 -0.928 -5.841 -12.663 1.00 0.00 N ATOM 0 H ASN A 53 -1.065 -9.407 -10.477 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.775 -8.280 -13.186 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.559 -7.400 -10.689 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.659 -7.765 -12.003 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.170 -4.944 -13.085 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.661 -6.517 -12.447 1.00 0.00 H new ATOM 839 N ASN A 54 1.447 -9.828 -13.395 1.00 0.00 N ATOM 840 CA ASN A 54 2.277 -10.993 -13.686 1.00 0.00 C ATOM 841 C ASN A 54 3.293 -11.226 -12.575 1.00 0.00 C ATOM 842 O ASN A 54 3.951 -12.264 -12.530 1.00 0.00 O ATOM 843 CB ASN A 54 3.006 -10.834 -15.023 1.00 0.00 C ATOM 844 CG ASN A 54 2.062 -10.831 -16.210 1.00 0.00 C ATOM 845 OD1 ASN A 54 1.737 -11.881 -16.762 1.00 0.00 O ATOM 846 ND2 ASN A 54 1.618 -9.650 -16.609 1.00 0.00 N ATOM 0 H ASN A 54 1.674 -8.999 -13.944 1.00 0.00 H new ATOM 0 HA ASN A 54 1.615 -11.856 -13.750 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.574 -9.904 -15.014 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.725 -11.645 -15.138 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.981 -9.586 -17.403 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.913 -8.803 -16.123 1.00 0.00 H new ATOM 853 N LYS A 55 3.426 -10.246 -11.686 1.00 0.00 N ATOM 854 CA LYS A 55 4.347 -10.336 -10.564 1.00 0.00 C ATOM 855 C LYS A 55 3.633 -10.834 -9.309 1.00 0.00 C ATOM 856 O LYS A 55 4.255 -11.017 -8.261 1.00 0.00 O ATOM 857 CB LYS A 55 4.974 -8.968 -10.294 1.00 0.00 C ATOM 858 CG LYS A 55 5.968 -8.521 -11.353 1.00 0.00 C ATOM 859 CD LYS A 55 7.199 -9.418 -11.388 1.00 0.00 C ATOM 860 CE LYS A 55 8.229 -8.906 -12.379 1.00 0.00 C ATOM 861 NZ LYS A 55 9.441 -9.767 -12.417 1.00 0.00 N ATOM 0 H LYS A 55 2.900 -9.373 -11.725 1.00 0.00 H new ATOM 0 HA LYS A 55 5.129 -11.050 -10.821 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.180 -8.225 -10.219 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.477 -8.995 -9.327 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.485 -8.528 -12.330 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.273 -7.493 -11.155 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.642 -9.469 -10.394 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.905 -10.432 -11.658 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.785 -8.861 -13.373 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.515 -7.889 -12.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.119 -9.382 -13.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.880 -9.790 -11.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.173 -10.732 -12.697 1.00 0.00 H new ATOM 875 N GLY A 56 2.326 -11.040 -9.419 1.00 0.00 N ATOM 876 CA GLY A 56 1.545 -11.474 -8.281 1.00 0.00 C ATOM 877 C GLY A 56 0.376 -10.552 -8.018 1.00 0.00 C ATOM 878 O GLY A 56 -0.261 -10.061 -8.952 1.00 0.00 O ATOM 0 H GLY A 56 1.794 -10.913 -10.280 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.178 -12.485 -8.456 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.182 -11.515 -7.397 1.00 0.00 H new ATOM 882 N LEU A 57 0.108 -10.295 -6.752 1.00 0.00 N ATOM 883 CA LEU A 57 -1.002 -9.448 -6.362 1.00 0.00 C ATOM 884 C LEU A 57 -0.593 -7.983 -6.380 1.00 0.00 C ATOM 885 O LEU A 57 0.550 -7.635 -6.076 1.00 0.00 O ATOM 886 CB LEU A 57 -1.498 -9.845 -4.975 1.00 0.00 C ATOM 887 CG LEU A 57 -2.160 -11.220 -4.894 1.00 0.00 C ATOM 888 CD1 LEU A 57 -2.579 -11.526 -3.467 1.00 0.00 C ATOM 889 CD2 LEU A 57 -3.360 -11.288 -5.827 1.00 0.00 C ATOM 0 H LEU A 57 0.649 -10.664 -5.970 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.812 -9.583 -7.079 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.655 -9.823 -4.284 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.211 -9.095 -4.632 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.435 -11.971 -5.208 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.049 -12.509 -3.428 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.702 -11.517 -2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.288 -10.772 -3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.820 -12.274 -5.757 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.087 -10.528 -5.541 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.034 -11.111 -6.852 1.00 0.00 H new ATOM 901 N SER A 58 -1.526 -7.130 -6.763 1.00 0.00 N ATOM 902 CA SER A 58 -1.280 -5.706 -6.839 1.00 0.00 C ATOM 903 C SER A 58 -2.530 -4.940 -6.415 1.00 0.00 C ATOM 904 O SER A 58 -3.596 -5.531 -6.231 1.00 0.00 O ATOM 905 CB SER A 58 -0.881 -5.326 -8.261 1.00 0.00 C ATOM 906 OG SER A 58 0.090 -6.222 -8.773 1.00 0.00 O ATOM 0 H SER A 58 -2.471 -7.406 -7.029 1.00 0.00 H new ATOM 0 HA SER A 58 -0.465 -5.445 -6.164 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.761 -5.332 -8.904 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.486 -4.310 -8.272 1.00 0.00 H new ATOM 0 HG SER A 58 0.693 -5.741 -9.378 1.00 0.00 H new ATOM 912 N ALA A 59 -2.392 -3.640 -6.213 1.00 0.00 N ATOM 913 CA ALA A 59 -3.526 -2.816 -5.829 1.00 0.00 C ATOM 914 C ALA A 59 -3.380 -1.395 -6.355 1.00 0.00 C ATOM 915 O ALA A 59 -2.312 -1.008 -6.835 1.00 0.00 O ATOM 916 CB ALA A 59 -3.678 -2.808 -4.321 1.00 0.00 C ATOM 0 H ALA A 59 -1.511 -3.135 -6.308 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.423 -3.246 -6.274 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.531 -2.188 -4.045 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.840 -3.826 -3.966 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.773 -2.405 -3.866 1.00 0.00 H new ATOM 922 N TYR A 60 -4.461 -0.631 -6.276 1.00 0.00 N ATOM 923 CA TYR A 60 -4.444 0.775 -6.656 1.00 0.00 C ATOM 924 C TYR A 60 -5.440 1.554 -5.811 1.00 0.00 C ATOM 925 O TYR A 60 -6.121 0.976 -4.965 1.00 0.00 O ATOM 926 CB TYR A 60 -4.757 0.962 -8.147 1.00 0.00 C ATOM 927 CG TYR A 60 -6.122 0.454 -8.581 1.00 0.00 C ATOM 928 CD1 TYR A 60 -6.338 -0.890 -8.873 1.00 0.00 C ATOM 929 CD2 TYR A 60 -7.195 1.330 -8.709 1.00 0.00 C ATOM 930 CE1 TYR A 60 -7.582 -1.343 -9.277 1.00 0.00 C ATOM 931 CE2 TYR A 60 -8.439 0.884 -9.111 1.00 0.00 C ATOM 932 CZ TYR A 60 -8.629 -0.451 -9.394 1.00 0.00 C ATOM 933 OH TYR A 60 -9.871 -0.895 -9.795 1.00 0.00 O ATOM 0 H TYR A 60 -5.368 -0.965 -5.949 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.439 1.157 -6.477 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.686 2.023 -8.388 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.992 0.450 -8.731 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.521 -1.591 -8.783 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.053 2.378 -8.490 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.733 -2.389 -9.500 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.260 1.580 -9.203 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.495 -0.140 -9.824 1.00 0.00 H new ATOM 943 N ALA A 61 -5.522 2.858 -6.062 1.00 0.00 N ATOM 944 CA ALA A 61 -6.386 3.755 -5.290 1.00 0.00 C ATOM 945 C ALA A 61 -6.045 3.679 -3.805 1.00 0.00 C ATOM 946 O ALA A 61 -6.928 3.678 -2.949 1.00 0.00 O ATOM 947 CB ALA A 61 -7.851 3.418 -5.523 1.00 0.00 C ATOM 0 H ALA A 61 -4.996 3.323 -6.801 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.213 4.776 -5.629 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.477 4.095 -4.941 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.085 3.527 -6.582 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.042 2.391 -5.213 1.00 0.00 H new ATOM 953 N VAL A 62 -4.753 3.635 -3.513 1.00 0.00 N ATOM 954 CA VAL A 62 -4.276 3.440 -2.154 1.00 0.00 C ATOM 955 C VAL A 62 -4.545 4.666 -1.290 1.00 0.00 C ATOM 956 O VAL A 62 -3.846 5.679 -1.386 1.00 0.00 O ATOM 957 CB VAL A 62 -2.769 3.124 -2.129 1.00 0.00 C ATOM 958 CG1 VAL A 62 -2.325 2.731 -0.729 1.00 0.00 C ATOM 959 CG2 VAL A 62 -2.431 2.031 -3.132 1.00 0.00 C ATOM 0 H VAL A 62 -4.012 3.733 -4.207 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.825 2.591 -1.747 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.227 4.025 -2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.257 2.512 -0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.524 3.552 -0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.875 1.847 -0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.361 1.824 -3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.984 1.125 -2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.705 2.360 -4.135 1.00 0.00 H new ATOM 969 N LYS A 63 -5.579 4.573 -0.472 1.00 0.00 N ATOM 970 CA LYS A 63 -5.914 5.614 0.474 1.00 0.00 C ATOM 971 C LYS A 63 -5.442 5.213 1.861 1.00 0.00 C ATOM 972 O LYS A 63 -5.927 4.233 2.437 1.00 0.00 O ATOM 973 CB LYS A 63 -7.421 5.819 0.470 1.00 0.00 C ATOM 974 CG LYS A 63 -7.911 7.021 1.258 1.00 0.00 C ATOM 975 CD LYS A 63 -9.428 7.035 1.290 1.00 0.00 C ATOM 976 CE LYS A 63 -10.007 6.887 -0.110 1.00 0.00 C ATOM 977 NZ LYS A 63 -9.943 8.155 -0.883 1.00 0.00 N ATOM 0 H LYS A 63 -6.209 3.771 -0.448 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.422 6.545 0.193 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.755 5.921 -0.563 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.895 4.923 0.872 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.518 6.986 2.274 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.540 7.940 0.804 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.789 6.225 1.924 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.777 7.967 1.735 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.463 6.109 -0.646 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.044 6.559 -0.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.348 8.006 -1.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.484 8.892 -0.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.952 8.456 -0.975 1.00 0.00 H new ATOM 991 N VAL A 64 -4.485 5.956 2.378 1.00 0.00 N ATOM 992 CA VAL A 64 -3.903 5.660 3.677 1.00 0.00 C ATOM 993 C VAL A 64 -4.826 6.112 4.802 1.00 0.00 C ATOM 994 O VAL A 64 -5.375 7.214 4.756 1.00 0.00 O ATOM 995 CB VAL A 64 -2.525 6.339 3.839 1.00 0.00 C ATOM 996 CG1 VAL A 64 -1.887 5.982 5.176 1.00 0.00 C ATOM 997 CG2 VAL A 64 -1.610 5.957 2.688 1.00 0.00 C ATOM 0 H VAL A 64 -4.090 6.775 1.917 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.772 4.579 3.735 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.675 7.418 3.822 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.919 6.475 5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.534 6.313 5.988 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.751 4.902 5.238 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.643 6.443 2.816 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.474 4.876 2.675 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.056 6.278 1.747 1.00 0.00 H new ATOM 1007 N VAL A 65 -5.003 5.253 5.797 1.00 0.00 N ATOM 1008 CA VAL A 65 -5.812 5.576 6.962 1.00 0.00 C ATOM 1009 C VAL A 65 -4.915 5.724 8.190 1.00 0.00 C ATOM 1010 O VAL A 65 -4.680 4.760 8.922 1.00 0.00 O ATOM 1011 CB VAL A 65 -6.890 4.504 7.229 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -7.760 4.893 8.412 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -7.742 4.279 5.987 1.00 0.00 C ATOM 0 H VAL A 65 -4.593 4.319 5.819 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.323 6.517 6.760 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.385 3.569 7.473 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.512 4.122 8.580 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.139 4.995 9.302 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.254 5.842 8.204 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.496 3.520 6.196 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.233 5.211 5.709 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.108 3.944 5.166 1.00 0.00 H new ATOM 1023 N PRO A 66 -4.362 6.927 8.405 1.00 0.00 N ATOM 1024 CA PRO A 66 -3.408 7.181 9.469 1.00 0.00 C ATOM 1025 C PRO A 66 -4.054 7.694 10.752 1.00 0.00 C ATOM 1026 O PRO A 66 -5.279 7.689 10.904 1.00 0.00 O ATOM 1027 CB PRO A 66 -2.527 8.260 8.847 1.00 0.00 C ATOM 1028 CG PRO A 66 -3.434 9.036 7.942 1.00 0.00 C ATOM 1029 CD PRO A 66 -4.621 8.149 7.626 1.00 0.00 C ATOM 0 HA PRO A 66 -2.884 6.277 9.781 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.092 8.902 9.613 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.699 7.820 8.291 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.760 9.958 8.423 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.913 9.321 7.028 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.560 8.618 7.918 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.689 7.937 6.559 1.00 0.00 H new ATOM 1037 N LEU A 67 -3.208 8.144 11.660 1.00 0.00 N ATOM 1038 CA LEU A 67 -3.638 8.719 12.915 1.00 0.00 C ATOM 1039 C LEU A 67 -3.413 10.215 12.854 1.00 0.00 C ATOM 1040 O LEU A 67 -2.357 10.717 13.242 1.00 0.00 O ATOM 1041 CB LEU A 67 -2.867 8.107 14.090 1.00 0.00 C ATOM 1042 CG LEU A 67 -3.038 6.597 14.270 1.00 0.00 C ATOM 1043 CD1 LEU A 67 -2.137 6.088 15.386 1.00 0.00 C ATOM 1044 CD2 LEU A 67 -4.494 6.254 14.557 1.00 0.00 C ATOM 0 H LEU A 67 -2.195 8.119 11.543 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.695 8.506 13.073 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.807 8.323 13.959 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.182 8.603 15.008 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.747 6.104 13.342 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.272 5.012 15.500 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.097 6.299 15.139 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.397 6.587 16.320 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.596 5.176 14.682 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.813 6.757 15.470 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.116 6.583 13.725 1.00 0.00 H new ATOM 1056 N GLU A 68 -4.390 10.899 12.291 1.00 0.00 N ATOM 1057 CA GLU A 68 -4.310 12.336 12.054 1.00 0.00 C ATOM 1058 C GLU A 68 -3.908 13.101 13.310 1.00 0.00 C ATOM 1059 O GLU A 68 -4.524 12.965 14.368 1.00 0.00 O ATOM 1060 CB GLU A 68 -5.644 12.886 11.544 1.00 0.00 C ATOM 1061 CG GLU A 68 -5.603 14.388 11.300 1.00 0.00 C ATOM 1062 CD GLU A 68 -6.954 14.974 10.957 1.00 0.00 C ATOM 1063 OE1 GLU A 68 -7.315 14.997 9.762 1.00 0.00 O ATOM 1064 OE2 GLU A 68 -7.649 15.440 11.878 1.00 0.00 O ATOM 0 H GLU A 68 -5.266 10.477 11.983 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.540 12.480 11.296 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.912 12.378 10.617 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.427 12.661 12.268 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.215 14.883 12.190 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.906 14.599 10.489 1.00 0.00 H new ATOM 1071 N HIS A 69 -2.859 13.893 13.179 1.00 0.00 N ATOM 1072 CA HIS A 69 -2.463 14.827 14.214 1.00 0.00 C ATOM 1073 C HIS A 69 -2.293 16.196 13.581 1.00 0.00 C ATOM 1074 O HIS A 69 -1.626 16.333 12.554 1.00 0.00 O ATOM 1075 CB HIS A 69 -1.179 14.367 14.916 1.00 0.00 C ATOM 1076 CG HIS A 69 -1.390 13.165 15.791 1.00 0.00 C ATOM 1077 ND1 HIS A 69 -0.719 11.974 15.618 1.00 0.00 N ATOM 1078 CD2 HIS A 69 -2.209 12.981 16.856 1.00 0.00 C ATOM 1079 CE1 HIS A 69 -1.116 11.112 16.536 1.00 0.00 C ATOM 1080 NE2 HIS A 69 -2.020 11.696 17.300 1.00 0.00 N ATOM 0 H HIS A 69 -2.260 13.906 12.354 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.234 14.875 14.983 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -0.423 14.135 14.165 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -0.788 15.186 15.520 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -2.885 13.711 17.277 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -0.760 10.098 16.644 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -2.499 11.264 18.090 1.00 0.00 H new ATOM 1089 N HIS A 70 -2.931 17.191 14.177 1.00 0.00 N ATOM 1090 CA HIS A 70 -3.023 18.521 13.593 1.00 0.00 C ATOM 1091 C HIS A 70 -1.642 19.141 13.377 1.00 0.00 C ATOM 1092 O HIS A 70 -0.786 19.099 14.262 1.00 0.00 O ATOM 1093 CB HIS A 70 -3.870 19.413 14.504 1.00 0.00 C ATOM 1094 CG HIS A 70 -4.260 20.722 13.892 1.00 0.00 C ATOM 1095 ND1 HIS A 70 -3.586 21.893 14.137 1.00 0.00 N ATOM 1096 CD2 HIS A 70 -5.271 21.042 13.052 1.00 0.00 C ATOM 1097 CE1 HIS A 70 -4.166 22.877 13.484 1.00 0.00 C ATOM 1098 NE2 HIS A 70 -5.191 22.389 12.814 1.00 0.00 N ATOM 0 H HIS A 70 -3.399 17.100 15.078 1.00 0.00 H new ATOM 0 HA HIS A 70 -3.496 18.436 12.614 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.774 18.872 14.784 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -3.316 19.605 15.423 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.005 20.362 12.645 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.855 23.911 13.495 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -5.821 22.925 12.217 1.00 0.00 H new ATOM 1107 N HIS A 71 -1.439 19.706 12.193 1.00 0.00 N ATOM 1108 CA HIS A 71 -0.188 20.379 11.865 1.00 0.00 C ATOM 1109 C HIS A 71 -0.120 21.727 12.565 1.00 0.00 C ATOM 1110 O HIS A 71 -1.098 22.478 12.576 1.00 0.00 O ATOM 1111 CB HIS A 71 -0.054 20.586 10.356 1.00 0.00 C ATOM 1112 CG HIS A 71 0.142 19.329 9.570 1.00 0.00 C ATOM 1113 ND1 HIS A 71 1.383 18.828 9.256 1.00 0.00 N ATOM 1114 CD2 HIS A 71 -0.754 18.487 9.002 1.00 0.00 C ATOM 1115 CE1 HIS A 71 1.246 17.739 8.529 1.00 0.00 C ATOM 1116 NE2 HIS A 71 -0.041 17.505 8.354 1.00 0.00 N ATOM 0 H HIS A 71 -2.128 19.711 11.441 1.00 0.00 H new ATOM 0 HA HIS A 71 0.632 19.746 12.206 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -0.948 21.091 9.991 1.00 0.00 H new ATOM 0 HB3 HIS A 71 0.788 21.252 10.167 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.830 18.571 9.049 1.00 0.00 H new ATOM 0 HE1 HIS A 71 2.054 17.137 8.140 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.440 16.728 7.827 1.00 0.00 H new ATOM 1125 N HIS A 72 1.030 22.034 13.142 1.00 0.00 N ATOM 1126 CA HIS A 72 1.202 23.283 13.866 1.00 0.00 C ATOM 1127 C HIS A 72 1.333 24.456 12.896 1.00 0.00 C ATOM 1128 O HIS A 72 2.047 24.375 11.896 1.00 0.00 O ATOM 1129 CB HIS A 72 2.428 23.216 14.795 1.00 0.00 C ATOM 1130 CG HIS A 72 3.756 23.285 14.094 1.00 0.00 C ATOM 1131 ND1 HIS A 72 4.348 22.205 13.478 1.00 0.00 N ATOM 1132 CD2 HIS A 72 4.605 24.325 13.920 1.00 0.00 C ATOM 1133 CE1 HIS A 72 5.501 22.577 12.954 1.00 0.00 C ATOM 1134 NE2 HIS A 72 5.679 23.859 13.208 1.00 0.00 N ATOM 0 H HIS A 72 1.857 21.437 13.123 1.00 0.00 H new ATOM 0 HA HIS A 72 0.316 23.439 14.481 1.00 0.00 H new ATOM 0 HB2 HIS A 72 2.368 24.035 15.511 1.00 0.00 H new ATOM 0 HB3 HIS A 72 2.383 22.289 15.367 1.00 0.00 H new ATOM 0 HD2 HIS A 72 4.462 25.335 14.276 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.183 21.940 12.410 1.00 0.00 H new ATOM 0 HE2 HIS A 72 6.485 24.414 12.921 1.00 0.00 H new ATOM 1143 N HIS A 73 0.646 25.544 13.195 1.00 0.00 N ATOM 1144 CA HIS A 73 0.748 26.747 12.382 1.00 0.00 C ATOM 1145 C HIS A 73 1.357 27.886 13.191 1.00 0.00 C ATOM 1146 O HIS A 73 0.693 28.863 13.534 1.00 0.00 O ATOM 1147 CB HIS A 73 -0.603 27.149 11.765 1.00 0.00 C ATOM 1148 CG HIS A 73 -1.769 27.175 12.716 1.00 0.00 C ATOM 1149 ND1 HIS A 73 -2.715 26.178 12.761 1.00 0.00 N ATOM 1150 CD2 HIS A 73 -2.159 28.096 13.630 1.00 0.00 C ATOM 1151 CE1 HIS A 73 -3.633 26.484 13.655 1.00 0.00 C ATOM 1152 NE2 HIS A 73 -3.323 27.644 14.198 1.00 0.00 N ATOM 0 H HIS A 73 0.013 25.621 13.991 1.00 0.00 H new ATOM 0 HA HIS A 73 1.413 26.526 11.547 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.499 28.138 11.319 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.833 26.457 10.955 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -1.647 29.017 13.868 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.496 25.884 13.902 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -3.859 28.125 14.920 1.00 0.00 H new ATOM 1161 N HIS A 74 2.626 27.716 13.526 1.00 0.00 N ATOM 1162 CA HIS A 74 3.390 28.727 14.236 1.00 0.00 C ATOM 1163 C HIS A 74 4.790 28.787 13.651 1.00 0.00 C ATOM 1164 O HIS A 74 5.687 28.110 14.192 1.00 0.00 O ATOM 1165 CB HIS A 74 3.463 28.423 15.738 1.00 0.00 C ATOM 1166 CG HIS A 74 2.166 28.604 16.466 1.00 0.00 C ATOM 1167 ND1 HIS A 74 1.554 27.596 17.182 1.00 0.00 N ATOM 1168 CD2 HIS A 74 1.370 29.691 16.599 1.00 0.00 C ATOM 1169 CE1 HIS A 74 0.439 28.055 17.719 1.00 0.00 C ATOM 1170 NE2 HIS A 74 0.304 29.322 17.380 1.00 0.00 N ATOM 1171 OXT HIS A 74 4.975 29.474 12.626 1.00 0.00 O ATOM 0 H HIS A 74 3.156 26.871 13.312 1.00 0.00 H new ATOM 0 HA HIS A 74 2.891 29.689 14.118 1.00 0.00 H new ATOM 0 HB2 HIS A 74 3.802 27.396 15.873 1.00 0.00 H new ATOM 0 HB3 HIS A 74 4.214 29.069 16.192 1.00 0.00 H new ATOM 0 HD2 HIS A 74 1.542 30.667 16.170 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -0.246 27.489 18.332 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -0.468 29.930 17.654 1.00 0.00 H new TER 1180 HIS A 74