USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=19 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 3 MET CE :methyl 153:sc= -0.488 (180deg=-1.51!) USER MOD Set 1.2: A 23 ASN : amide:sc= 0.997 K(o=0.51,f=-4.6!) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.162 (180deg=-0.916) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.0318 X(o=-0.032,f=-0.058) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0098 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 176:sc= 1.28 (180deg=1.09) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN :FLIP amide:sc= 0.0703 F(o=-2.8!,f=0.07) USER MOD Single : A 28 TYR OH : rot -64:sc= 0.136 USER MOD Single : A 30 HIS : no HD1:sc= -3.3! C(o=-3.3!,f=-3.8!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -1.74 K(o=-1.7,f=-5.3!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -157:sc= -0.182 (180deg=-0.791) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.63 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0624 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN :FLIP amide:sc= -0.139 F(o=-1.3!,f=-0.14) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 55 LYS NZ :NH3+ 172:sc=-0.00357 (180deg=-0.0921) USER MOD Single : A 58 SER OG : rot -87:sc= -2.72! USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.49) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HE2:sc= 0.814 K(o=0.81,f=-4.4!) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : +bothHN:sc= 1.89 K(o=1.9,f=-10!) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 74 HIS : no HD1:sc= -0.0659 X(o=-0.066,f=-0.0065) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.152 -5.395 -4.215 1.00 0.00 N ATOM 2 CA MET A 1 -14.909 -5.231 -2.766 1.00 0.00 C ATOM 3 C MET A 1 -13.521 -4.657 -2.529 1.00 0.00 C ATOM 4 O MET A 1 -12.541 -5.118 -3.113 1.00 0.00 O ATOM 5 CB MET A 1 -15.042 -6.581 -2.055 1.00 0.00 C ATOM 6 CG MET A 1 -14.875 -6.503 -0.547 1.00 0.00 C ATOM 7 SD MET A 1 -14.992 -8.116 0.249 1.00 0.00 S ATOM 8 CE MET A 1 -16.616 -8.643 -0.292 1.00 0.00 C ATOM 0 H1 MET A 1 -16.103 -5.788 -4.365 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.081 -4.470 -4.686 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.443 -6.042 -4.615 1.00 0.00 H new ATOM 0 HA MET A 1 -15.651 -4.542 -2.362 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.021 -7.004 -2.281 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.297 -7.267 -2.458 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.908 -6.057 -0.315 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.638 -5.842 -0.135 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.977 -9.437 0.361 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.305 -7.799 -0.252 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.556 -9.014 -1.315 1.00 0.00 H new ATOM 20 N ALA A 2 -13.452 -3.643 -1.687 1.00 0.00 N ATOM 21 CA ALA A 2 -12.194 -3.001 -1.358 1.00 0.00 C ATOM 22 C ALA A 2 -11.873 -3.205 0.116 1.00 0.00 C ATOM 23 O ALA A 2 -12.669 -2.857 0.988 1.00 0.00 O ATOM 24 CB ALA A 2 -12.258 -1.521 -1.694 1.00 0.00 C ATOM 0 H ALA A 2 -14.262 -3.243 -1.214 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.399 -3.454 -1.950 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.308 -1.049 -1.443 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.454 -1.398 -2.759 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.058 -1.052 -1.122 1.00 0.00 H new ATOM 30 N MET A 3 -10.710 -3.766 0.391 1.00 0.00 N ATOM 31 CA MET A 3 -10.328 -4.088 1.757 1.00 0.00 C ATOM 32 C MET A 3 -9.218 -3.169 2.242 1.00 0.00 C ATOM 33 O MET A 3 -8.723 -2.322 1.492 1.00 0.00 O ATOM 34 CB MET A 3 -9.881 -5.542 1.872 1.00 0.00 C ATOM 35 CG MET A 3 -10.994 -6.534 1.600 1.00 0.00 C ATOM 36 SD MET A 3 -11.244 -6.846 -0.161 1.00 0.00 S ATOM 37 CE MET A 3 -9.626 -7.453 -0.631 1.00 0.00 C ATOM 0 H MET A 3 -10.012 -4.009 -0.312 1.00 0.00 H new ATOM 0 HA MET A 3 -11.206 -3.941 2.386 1.00 0.00 H new ATOM 0 HB2 MET A 3 -9.065 -5.721 1.172 1.00 0.00 H new ATOM 0 HB3 MET A 3 -9.486 -5.715 2.873 1.00 0.00 H new ATOM 0 HG2 MET A 3 -10.766 -7.475 2.101 1.00 0.00 H new ATOM 0 HG3 MET A 3 -11.922 -6.159 2.032 1.00 0.00 H new ATOM 0 HE1 MET A 3 -9.721 -8.113 -1.493 1.00 0.00 H new ATOM 0 HE2 MET A 3 -8.982 -6.612 -0.888 1.00 0.00 H new ATOM 0 HE3 MET A 3 -9.188 -8.004 0.201 1.00 0.00 H new ATOM 47 N ASN A 4 -8.834 -3.342 3.496 1.00 0.00 N ATOM 48 CA ASN A 4 -7.749 -2.581 4.077 1.00 0.00 C ATOM 49 C ASN A 4 -6.523 -3.467 4.240 1.00 0.00 C ATOM 50 O ASN A 4 -6.645 -4.682 4.408 1.00 0.00 O ATOM 51 CB ASN A 4 -8.159 -2.001 5.435 1.00 0.00 C ATOM 52 CG ASN A 4 -8.495 -3.070 6.462 1.00 0.00 C ATOM 53 OD1 ASN A 4 -9.631 -3.531 6.542 1.00 0.00 O ATOM 54 ND2 ASN A 4 -7.514 -3.456 7.266 1.00 0.00 N ATOM 0 H ASN A 4 -9.265 -4.011 4.134 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.510 -1.755 3.407 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.349 -1.380 5.818 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.023 -1.351 5.300 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -7.689 -4.160 7.983 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.584 -3.049 7.168 1.00 0.00 H new ATOM 61 N GLY A 5 -5.353 -2.859 4.188 1.00 0.00 N ATOM 62 CA GLY A 5 -4.125 -3.600 4.353 1.00 0.00 C ATOM 63 C GLY A 5 -3.186 -2.928 5.326 1.00 0.00 C ATOM 64 O GLY A 5 -3.378 -1.761 5.669 1.00 0.00 O ATOM 0 H GLY A 5 -5.231 -1.858 4.033 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.353 -4.606 4.705 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.632 -3.705 3.387 1.00 0.00 H new ATOM 68 N THR A 6 -2.179 -3.658 5.773 1.00 0.00 N ATOM 69 CA THR A 6 -1.198 -3.117 6.696 1.00 0.00 C ATOM 70 C THR A 6 0.155 -3.005 6.005 1.00 0.00 C ATOM 71 O THR A 6 0.587 -3.922 5.300 1.00 0.00 O ATOM 72 CB THR A 6 -1.065 -3.997 7.950 1.00 0.00 C ATOM 73 OG1 THR A 6 -2.370 -4.372 8.414 1.00 0.00 O ATOM 74 CG2 THR A 6 -0.330 -3.261 9.060 1.00 0.00 C ATOM 0 H THR A 6 -2.019 -4.631 5.510 1.00 0.00 H new ATOM 0 HA THR A 6 -1.537 -2.129 7.007 1.00 0.00 H new ATOM 0 HB THR A 6 -0.492 -4.885 7.684 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.284 -4.934 9.212 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.251 -3.907 9.934 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.669 -2.990 8.717 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.881 -2.358 9.325 1.00 0.00 H new ATOM 82 N ILE A 7 0.810 -1.880 6.203 1.00 0.00 N ATOM 83 CA ILE A 7 2.069 -1.596 5.527 1.00 0.00 C ATOM 84 C ILE A 7 3.231 -2.262 6.258 1.00 0.00 C ATOM 85 O ILE A 7 3.457 -2.007 7.445 1.00 0.00 O ATOM 86 CB ILE A 7 2.314 -0.075 5.442 1.00 0.00 C ATOM 87 CG1 ILE A 7 1.092 0.619 4.833 1.00 0.00 C ATOM 88 CG2 ILE A 7 3.567 0.221 4.623 1.00 0.00 C ATOM 89 CD1 ILE A 7 1.151 2.130 4.895 1.00 0.00 C ATOM 0 H ILE A 7 0.493 -1.140 6.830 1.00 0.00 H new ATOM 0 HA ILE A 7 2.005 -1.999 4.516 1.00 0.00 H new ATOM 0 HB ILE A 7 2.469 0.313 6.449 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.993 0.311 3.792 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.196 0.278 5.353 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.724 1.299 4.574 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.430 -0.250 5.095 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.444 -0.174 3.615 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.251 2.548 4.444 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.218 2.449 5.935 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.027 2.483 4.350 1.00 0.00 H new ATOM 101 N THR A 8 3.959 -3.121 5.555 1.00 0.00 N ATOM 102 CA THR A 8 5.050 -3.861 6.161 1.00 0.00 C ATOM 103 C THR A 8 6.403 -3.327 5.700 1.00 0.00 C ATOM 104 O THR A 8 7.262 -2.993 6.513 1.00 0.00 O ATOM 105 CB THR A 8 4.939 -5.356 5.822 1.00 0.00 C ATOM 106 OG1 THR A 8 4.769 -5.529 4.410 1.00 0.00 O ATOM 107 CG2 THR A 8 3.772 -5.993 6.559 1.00 0.00 C ATOM 0 H THR A 8 3.811 -3.320 4.566 1.00 0.00 H new ATOM 0 HA THR A 8 4.978 -3.732 7.241 1.00 0.00 H new ATOM 0 HB THR A 8 5.860 -5.846 6.139 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.701 -6.485 4.203 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.714 -7.051 6.303 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.919 -5.887 7.634 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.845 -5.498 6.269 1.00 0.00 H new ATOM 115 N THR A 9 6.586 -3.251 4.393 1.00 0.00 N ATOM 116 CA THR A 9 7.821 -2.742 3.823 1.00 0.00 C ATOM 117 C THR A 9 7.522 -1.589 2.871 1.00 0.00 C ATOM 118 O THR A 9 6.694 -1.726 1.978 1.00 0.00 O ATOM 119 CB THR A 9 8.573 -3.854 3.065 1.00 0.00 C ATOM 120 OG1 THR A 9 8.737 -4.996 3.916 1.00 0.00 O ATOM 121 CG2 THR A 9 9.940 -3.370 2.596 1.00 0.00 C ATOM 0 H THR A 9 5.891 -3.537 3.704 1.00 0.00 H new ATOM 0 HA THR A 9 8.451 -2.386 4.639 1.00 0.00 H new ATOM 0 HB THR A 9 7.984 -4.127 2.190 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.214 -5.701 3.430 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.448 -4.175 2.065 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.815 -2.517 1.929 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.536 -3.072 3.459 1.00 0.00 H new ATOM 129 N TRP A 10 8.177 -0.455 3.065 1.00 0.00 N ATOM 130 CA TRP A 10 7.961 0.693 2.199 1.00 0.00 C ATOM 131 C TRP A 10 9.266 1.434 1.940 1.00 0.00 C ATOM 132 O TRP A 10 10.071 1.647 2.848 1.00 0.00 O ATOM 133 CB TRP A 10 6.925 1.641 2.815 1.00 0.00 C ATOM 134 CG TRP A 10 6.698 2.885 2.008 1.00 0.00 C ATOM 135 CD1 TRP A 10 7.026 4.164 2.363 1.00 0.00 C ATOM 136 CD2 TRP A 10 6.105 2.970 0.705 1.00 0.00 C ATOM 137 NE1 TRP A 10 6.670 5.035 1.364 1.00 0.00 N ATOM 138 CE2 TRP A 10 6.105 4.327 0.336 1.00 0.00 C ATOM 139 CE3 TRP A 10 5.575 2.027 -0.183 1.00 0.00 C ATOM 140 CZ2 TRP A 10 5.597 4.767 -0.884 1.00 0.00 C ATOM 141 CZ3 TRP A 10 5.070 2.466 -1.393 1.00 0.00 C ATOM 142 CH2 TRP A 10 5.086 3.824 -1.734 1.00 0.00 C ATOM 0 H TRP A 10 8.858 -0.305 3.809 1.00 0.00 H new ATOM 0 HA TRP A 10 7.580 0.329 1.245 1.00 0.00 H new ATOM 0 HB2 TRP A 10 5.979 1.111 2.925 1.00 0.00 H new ATOM 0 HB3 TRP A 10 7.251 1.922 3.817 1.00 0.00 H new ATOM 0 HD1 TRP A 10 7.496 4.447 3.293 1.00 0.00 H new ATOM 0 HE1 TRP A 10 6.804 6.046 1.384 1.00 0.00 H new ATOM 0 HE3 TRP A 10 5.561 0.978 0.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 5.606 5.814 -1.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 4.656 1.749 -2.087 1.00 0.00 H new ATOM 0 HH2 TRP A 10 4.686 4.134 -2.688 1.00 0.00 H new ATOM 153 N PHE A 11 9.475 1.791 0.686 1.00 0.00 N ATOM 154 CA PHE A 11 10.601 2.611 0.289 1.00 0.00 C ATOM 155 C PHE A 11 10.084 3.936 -0.250 1.00 0.00 C ATOM 156 O PHE A 11 9.595 4.007 -1.375 1.00 0.00 O ATOM 157 CB PHE A 11 11.437 1.890 -0.774 1.00 0.00 C ATOM 158 CG PHE A 11 12.073 0.622 -0.282 1.00 0.00 C ATOM 159 CD1 PHE A 11 13.293 0.655 0.373 1.00 0.00 C ATOM 160 CD2 PHE A 11 11.454 -0.603 -0.478 1.00 0.00 C ATOM 161 CE1 PHE A 11 13.883 -0.510 0.823 1.00 0.00 C ATOM 162 CE2 PHE A 11 12.040 -1.769 -0.029 1.00 0.00 C ATOM 163 CZ PHE A 11 13.257 -1.723 0.621 1.00 0.00 C ATOM 0 H PHE A 11 8.867 1.519 -0.086 1.00 0.00 H new ATOM 0 HA PHE A 11 11.239 2.796 1.153 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.801 1.660 -1.629 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.217 2.564 -1.129 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.788 1.601 0.534 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.503 -0.645 -0.988 1.00 0.00 H new ATOM 0 HE1 PHE A 11 14.834 -0.472 1.333 1.00 0.00 H new ATOM 0 HE2 PHE A 11 11.547 -2.717 -0.186 1.00 0.00 H new ATOM 0 HZ PHE A 11 13.718 -2.635 0.971 1.00 0.00 H new ATOM 173 N LYS A 12 10.174 4.976 0.565 1.00 0.00 N ATOM 174 CA LYS A 12 9.615 6.273 0.207 1.00 0.00 C ATOM 175 C LYS A 12 10.500 6.976 -0.813 1.00 0.00 C ATOM 176 O LYS A 12 10.010 7.655 -1.713 1.00 0.00 O ATOM 177 CB LYS A 12 9.460 7.150 1.453 1.00 0.00 C ATOM 178 CG LYS A 12 8.603 8.386 1.231 1.00 0.00 C ATOM 179 CD LYS A 12 8.643 9.313 2.438 1.00 0.00 C ATOM 180 CE LYS A 12 7.676 10.477 2.284 1.00 0.00 C ATOM 181 NZ LYS A 12 7.819 11.473 3.381 1.00 0.00 N ATOM 0 H LYS A 12 10.628 4.948 1.478 1.00 0.00 H new ATOM 0 HA LYS A 12 8.633 6.109 -0.236 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.021 6.554 2.253 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.448 7.461 1.792 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.954 8.920 0.348 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.574 8.086 1.034 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.395 8.750 3.338 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.655 9.695 2.570 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.849 10.967 1.326 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.654 10.099 2.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.190 12.281 3.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.563 11.031 4.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.804 11.804 3.423 1.00 0.00 H new ATOM 195 N ASP A 13 11.806 6.816 -0.655 1.00 0.00 N ATOM 196 CA ASP A 13 12.772 7.400 -1.582 1.00 0.00 C ATOM 197 C ASP A 13 12.683 6.732 -2.950 1.00 0.00 C ATOM 198 O ASP A 13 12.605 7.408 -3.976 1.00 0.00 O ATOM 199 CB ASP A 13 14.192 7.269 -1.021 1.00 0.00 C ATOM 200 CG ASP A 13 15.256 7.745 -1.988 1.00 0.00 C ATOM 201 OD1 ASP A 13 15.429 8.975 -2.131 1.00 0.00 O ATOM 202 OD2 ASP A 13 15.933 6.892 -2.599 1.00 0.00 O ATOM 0 H ASP A 13 12.225 6.285 0.109 1.00 0.00 H new ATOM 0 HA ASP A 13 12.535 8.457 -1.701 1.00 0.00 H new ATOM 0 HB2 ASP A 13 14.266 7.842 -0.097 1.00 0.00 H new ATOM 0 HB3 ASP A 13 14.381 6.226 -0.765 1.00 0.00 H new ATOM 207 N LYS A 14 12.691 5.403 -2.953 1.00 0.00 N ATOM 208 CA LYS A 14 12.596 4.637 -4.192 1.00 0.00 C ATOM 209 C LYS A 14 11.197 4.737 -4.793 1.00 0.00 C ATOM 210 O LYS A 14 11.041 4.965 -5.995 1.00 0.00 O ATOM 211 CB LYS A 14 12.956 3.172 -3.945 1.00 0.00 C ATOM 212 CG LYS A 14 14.388 2.964 -3.477 1.00 0.00 C ATOM 213 CD LYS A 14 15.384 3.487 -4.497 1.00 0.00 C ATOM 214 CE LYS A 14 16.818 3.274 -4.042 1.00 0.00 C ATOM 215 NZ LYS A 14 17.793 3.841 -5.007 1.00 0.00 N ATOM 0 H LYS A 14 12.762 4.833 -2.110 1.00 0.00 H new ATOM 0 HA LYS A 14 13.306 5.061 -4.902 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.276 2.761 -3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.798 2.608 -4.865 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.539 3.472 -2.525 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.565 1.903 -3.303 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.226 2.984 -5.451 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.209 4.550 -4.665 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.962 3.737 -3.066 1.00 0.00 H new ATOM 0 HE3 LYS A 14 17.006 2.207 -3.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.760 3.676 -4.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.673 3.382 -5.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.630 4.864 -5.104 1.00 0.00 H new ATOM 229 N GLY A 15 10.182 4.562 -3.957 1.00 0.00 N ATOM 230 CA GLY A 15 8.820 4.732 -4.409 1.00 0.00 C ATOM 231 C GLY A 15 8.060 3.427 -4.569 1.00 0.00 C ATOM 232 O GLY A 15 7.049 3.388 -5.264 1.00 0.00 O ATOM 0 H GLY A 15 10.280 4.305 -2.975 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.288 5.367 -3.700 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.827 5.257 -5.364 1.00 0.00 H new ATOM 236 N PHE A 16 8.522 2.358 -3.936 1.00 0.00 N ATOM 237 CA PHE A 16 7.795 1.089 -3.988 1.00 0.00 C ATOM 238 C PHE A 16 7.771 0.429 -2.621 1.00 0.00 C ATOM 239 O PHE A 16 8.456 0.869 -1.698 1.00 0.00 O ATOM 240 CB PHE A 16 8.392 0.128 -5.026 1.00 0.00 C ATOM 241 CG PHE A 16 9.771 -0.382 -4.702 1.00 0.00 C ATOM 242 CD1 PHE A 16 10.895 0.358 -5.023 1.00 0.00 C ATOM 243 CD2 PHE A 16 9.937 -1.613 -4.085 1.00 0.00 C ATOM 244 CE1 PHE A 16 12.160 -0.117 -4.736 1.00 0.00 C ATOM 245 CE2 PHE A 16 11.199 -2.093 -3.796 1.00 0.00 C ATOM 246 CZ PHE A 16 12.312 -1.345 -4.121 1.00 0.00 C ATOM 0 H PHE A 16 9.382 2.338 -3.388 1.00 0.00 H new ATOM 0 HA PHE A 16 6.774 1.316 -4.293 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.722 -0.725 -5.137 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.426 0.634 -5.991 1.00 0.00 H new ATOM 0 HD1 PHE A 16 10.782 1.319 -5.504 1.00 0.00 H new ATOM 0 HD2 PHE A 16 9.070 -2.203 -3.828 1.00 0.00 H new ATOM 0 HE1 PHE A 16 13.029 0.471 -4.992 1.00 0.00 H new ATOM 0 HE2 PHE A 16 11.315 -3.053 -3.316 1.00 0.00 H new ATOM 0 HZ PHE A 16 13.300 -1.719 -3.895 1.00 0.00 H new ATOM 256 N GLY A 17 6.986 -0.627 -2.491 1.00 0.00 N ATOM 257 CA GLY A 17 6.883 -1.306 -1.216 1.00 0.00 C ATOM 258 C GLY A 17 5.954 -2.500 -1.248 1.00 0.00 C ATOM 259 O GLY A 17 5.496 -2.917 -2.317 1.00 0.00 O ATOM 0 H GLY A 17 6.420 -1.026 -3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.875 -1.634 -0.906 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.531 -0.600 -0.464 1.00 0.00 H new ATOM 263 N PHE A 18 5.672 -3.037 -0.068 1.00 0.00 N ATOM 264 CA PHE A 18 4.846 -4.219 0.081 1.00 0.00 C ATOM 265 C PHE A 18 3.821 -3.985 1.179 1.00 0.00 C ATOM 266 O PHE A 18 4.160 -3.515 2.268 1.00 0.00 O ATOM 267 CB PHE A 18 5.699 -5.441 0.446 1.00 0.00 C ATOM 268 CG PHE A 18 6.756 -5.789 -0.564 1.00 0.00 C ATOM 269 CD1 PHE A 18 6.463 -6.619 -1.633 1.00 0.00 C ATOM 270 CD2 PHE A 18 8.044 -5.294 -0.438 1.00 0.00 C ATOM 271 CE1 PHE A 18 7.436 -6.948 -2.559 1.00 0.00 C ATOM 272 CE2 PHE A 18 9.019 -5.617 -1.360 1.00 0.00 C ATOM 273 CZ PHE A 18 8.715 -6.445 -2.423 1.00 0.00 C ATOM 0 H PHE A 18 6.014 -2.659 0.816 1.00 0.00 H new ATOM 0 HA PHE A 18 4.346 -4.410 -0.868 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.179 -5.259 1.407 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.042 -6.301 0.576 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.464 -7.014 -1.745 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.288 -4.647 0.392 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.196 -7.598 -3.388 1.00 0.00 H new ATOM 0 HE2 PHE A 18 10.018 -5.223 -1.250 1.00 0.00 H new ATOM 0 HZ PHE A 18 9.476 -6.699 -3.146 1.00 0.00 H new ATOM 283 N ILE A 19 2.576 -4.300 0.888 1.00 0.00 N ATOM 284 CA ILE A 19 1.500 -4.158 1.858 1.00 0.00 C ATOM 285 C ILE A 19 0.679 -5.439 1.902 1.00 0.00 C ATOM 286 O ILE A 19 0.300 -5.976 0.860 1.00 0.00 O ATOM 287 CB ILE A 19 0.582 -2.956 1.519 1.00 0.00 C ATOM 288 CG1 ILE A 19 1.369 -1.641 1.595 1.00 0.00 C ATOM 289 CG2 ILE A 19 -0.625 -2.910 2.452 1.00 0.00 C ATOM 290 CD1 ILE A 19 0.581 -0.426 1.154 1.00 0.00 C ATOM 0 H ILE A 19 2.278 -4.659 -0.019 1.00 0.00 H new ATOM 0 HA ILE A 19 1.947 -3.971 2.834 1.00 0.00 H new ATOM 0 HB ILE A 19 0.218 -3.085 0.500 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.706 -1.490 2.620 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.262 -1.727 0.975 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.253 -2.058 2.193 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.201 -3.830 2.348 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.285 -2.810 3.483 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.206 0.463 1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.266 -0.553 0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.298 -0.312 1.789 1.00 0.00 H new ATOM 302 N LYS A 20 0.433 -5.940 3.103 1.00 0.00 N ATOM 303 CA LYS A 20 -0.359 -7.146 3.270 1.00 0.00 C ATOM 304 C LYS A 20 -1.772 -6.775 3.678 1.00 0.00 C ATOM 305 O LYS A 20 -1.983 -6.129 4.707 1.00 0.00 O ATOM 306 CB LYS A 20 0.272 -8.061 4.317 1.00 0.00 C ATOM 307 CG LYS A 20 -0.490 -9.359 4.526 1.00 0.00 C ATOM 308 CD LYS A 20 0.198 -10.237 5.550 1.00 0.00 C ATOM 309 CE LYS A 20 -0.537 -11.550 5.748 1.00 0.00 C ATOM 310 NZ LYS A 20 0.180 -12.443 6.693 1.00 0.00 N ATOM 0 H LYS A 20 0.770 -5.530 3.974 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.389 -7.683 2.322 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.294 -8.293 4.017 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.332 -7.527 5.266 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.506 -9.139 4.855 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.570 -9.894 3.579 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.220 -10.437 5.230 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.260 -9.707 6.501 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.541 -11.352 6.124 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.650 -12.052 4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.352 -13.330 6.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.129 -12.652 6.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.266 -11.973 7.617 1.00 0.00 H new ATOM 324 N ASP A 21 -2.734 -7.174 2.870 1.00 0.00 N ATOM 325 CA ASP A 21 -4.117 -6.792 3.101 1.00 0.00 C ATOM 326 C ASP A 21 -4.957 -7.979 3.552 1.00 0.00 C ATOM 327 O ASP A 21 -4.428 -9.025 3.940 1.00 0.00 O ATOM 328 CB ASP A 21 -4.723 -6.157 1.848 1.00 0.00 C ATOM 329 CG ASP A 21 -4.794 -7.113 0.678 1.00 0.00 C ATOM 330 OD1 ASP A 21 -5.765 -7.892 0.607 1.00 0.00 O ATOM 331 OD2 ASP A 21 -3.886 -7.081 -0.177 1.00 0.00 O ATOM 0 H ASP A 21 -2.586 -7.761 2.049 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.121 -6.054 3.903 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.726 -5.797 2.078 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.130 -5.288 1.565 1.00 0.00 H new ATOM 336 N GLU A 22 -6.270 -7.810 3.486 1.00 0.00 N ATOM 337 CA GLU A 22 -7.208 -8.771 4.047 1.00 0.00 C ATOM 338 C GLU A 22 -7.286 -10.054 3.215 1.00 0.00 C ATOM 339 O GLU A 22 -7.892 -11.037 3.645 1.00 0.00 O ATOM 340 CB GLU A 22 -8.586 -8.125 4.170 1.00 0.00 C ATOM 341 CG GLU A 22 -9.379 -8.599 5.377 1.00 0.00 C ATOM 342 CD GLU A 22 -10.669 -7.827 5.561 1.00 0.00 C ATOM 343 OE1 GLU A 22 -11.684 -8.201 4.941 1.00 0.00 O ATOM 344 OE2 GLU A 22 -10.676 -6.840 6.323 1.00 0.00 O ATOM 0 H GLU A 22 -6.714 -7.005 3.043 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.848 -9.057 5.035 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.466 -7.043 4.227 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.158 -8.335 3.266 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.606 -9.659 5.265 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.767 -8.497 6.273 1.00 0.00 H new ATOM 351 N ASN A 23 -6.687 -10.050 2.027 1.00 0.00 N ATOM 352 CA ASN A 23 -6.585 -11.271 1.229 1.00 0.00 C ATOM 353 C ASN A 23 -5.705 -12.293 1.936 1.00 0.00 C ATOM 354 O ASN A 23 -5.880 -13.499 1.768 1.00 0.00 O ATOM 355 CB ASN A 23 -6.015 -10.997 -0.169 1.00 0.00 C ATOM 356 CG ASN A 23 -7.090 -10.695 -1.196 1.00 0.00 C ATOM 357 OD1 ASN A 23 -7.429 -9.540 -1.438 1.00 0.00 O ATOM 358 ND2 ASN A 23 -7.624 -11.736 -1.819 1.00 0.00 N ATOM 0 H ASN A 23 -6.268 -9.225 1.598 1.00 0.00 H new ATOM 0 HA ASN A 23 -7.595 -11.664 1.115 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.324 -10.156 -0.116 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -5.439 -11.862 -0.497 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.343 -11.592 -2.528 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.315 -12.681 -1.590 1.00 0.00 H new ATOM 365 N GLY A 24 -4.771 -11.802 2.739 1.00 0.00 N ATOM 366 CA GLY A 24 -3.869 -12.684 3.450 1.00 0.00 C ATOM 367 C GLY A 24 -2.537 -12.828 2.746 1.00 0.00 C ATOM 368 O GLY A 24 -1.705 -13.651 3.130 1.00 0.00 O ATOM 0 H GLY A 24 -4.622 -10.808 2.910 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.706 -12.300 4.457 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.331 -13.666 3.555 1.00 0.00 H new ATOM 372 N ASP A 25 -2.335 -12.027 1.715 1.00 0.00 N ATOM 373 CA ASP A 25 -1.091 -12.052 0.958 1.00 0.00 C ATOM 374 C ASP A 25 -0.546 -10.640 0.818 1.00 0.00 C ATOM 375 O ASP A 25 -1.263 -9.667 1.055 1.00 0.00 O ATOM 376 CB ASP A 25 -1.317 -12.683 -0.423 1.00 0.00 C ATOM 377 CG ASP A 25 -0.037 -12.828 -1.228 1.00 0.00 C ATOM 378 OD1 ASP A 25 1.026 -13.105 -0.626 1.00 0.00 O ATOM 379 OD2 ASP A 25 -0.083 -12.662 -2.464 1.00 0.00 O ATOM 0 H ASP A 25 -3.018 -11.348 1.380 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.361 -12.659 1.494 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.773 -13.665 -0.297 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.025 -12.072 -0.984 1.00 0.00 H new ATOM 384 N ASN A 26 0.719 -10.532 0.455 1.00 0.00 N ATOM 385 CA ASN A 26 1.355 -9.239 0.278 1.00 0.00 C ATOM 386 C ASN A 26 1.274 -8.797 -1.179 1.00 0.00 C ATOM 387 O ASN A 26 1.458 -9.596 -2.099 1.00 0.00 O ATOM 388 CB ASN A 26 2.813 -9.272 0.764 1.00 0.00 C ATOM 389 CG ASN A 26 3.785 -10.046 -0.128 1.00 0.00 C ATOM 390 OD1 ASN A 26 3.344 -11.143 -0.726 1.00 0.00 O flip ATOM 391 ND2 ASN A 26 4.949 -9.661 -0.258 1.00 0.00 N flip ATOM 0 H ASN A 26 1.330 -11.329 0.276 1.00 0.00 H new ATOM 0 HA ASN A 26 0.819 -8.509 0.885 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.170 -8.246 0.857 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.836 -9.709 1.762 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.261 -8.813 0.214 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.600 -10.191 -0.838 1.00 0.00 H new ATOM 398 N ARG A 27 0.968 -7.533 -1.387 1.00 0.00 N ATOM 399 CA ARG A 27 0.862 -6.991 -2.728 1.00 0.00 C ATOM 400 C ARG A 27 1.993 -6.011 -3.002 1.00 0.00 C ATOM 401 O ARG A 27 2.507 -5.374 -2.082 1.00 0.00 O ATOM 402 CB ARG A 27 -0.503 -6.327 -2.924 1.00 0.00 C ATOM 403 CG ARG A 27 -1.633 -7.332 -3.085 1.00 0.00 C ATOM 404 CD ARG A 27 -2.983 -6.656 -3.241 1.00 0.00 C ATOM 405 NE ARG A 27 -3.916 -7.482 -4.018 1.00 0.00 N ATOM 406 CZ ARG A 27 -4.985 -8.096 -3.503 1.00 0.00 C ATOM 407 NH1 ARG A 27 -5.237 -8.024 -2.207 1.00 0.00 N ATOM 408 NH2 ARG A 27 -5.791 -8.804 -4.287 1.00 0.00 N ATOM 0 H ARG A 27 0.788 -6.859 -0.643 1.00 0.00 H new ATOM 0 HA ARG A 27 0.949 -7.809 -3.444 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.715 -5.684 -2.070 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.466 -5.685 -3.804 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.439 -7.958 -3.956 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.657 -7.992 -2.218 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.406 -6.457 -2.257 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.853 -5.692 -3.733 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.736 -7.594 -5.016 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.614 -7.498 -1.595 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.055 -8.495 -1.820 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.594 -8.880 -5.285 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.606 -9.272 -3.891 1.00 0.00 H new ATOM 422 N TYR A 28 2.388 -5.919 -4.265 1.00 0.00 N ATOM 423 CA TYR A 28 3.465 -5.031 -4.677 1.00 0.00 C ATOM 424 C TYR A 28 2.896 -3.661 -5.025 1.00 0.00 C ATOM 425 O TYR A 28 2.003 -3.549 -5.868 1.00 0.00 O ATOM 426 CB TYR A 28 4.192 -5.631 -5.884 1.00 0.00 C ATOM 427 CG TYR A 28 5.520 -4.975 -6.208 1.00 0.00 C ATOM 428 CD1 TYR A 28 6.674 -5.340 -5.526 1.00 0.00 C ATOM 429 CD2 TYR A 28 5.627 -4.009 -7.203 1.00 0.00 C ATOM 430 CE1 TYR A 28 7.894 -4.762 -5.821 1.00 0.00 C ATOM 431 CE2 TYR A 28 6.847 -3.429 -7.507 1.00 0.00 C ATOM 432 CZ TYR A 28 7.976 -3.809 -6.813 1.00 0.00 C ATOM 433 OH TYR A 28 9.197 -3.243 -7.116 1.00 0.00 O ATOM 0 H TYR A 28 1.973 -6.454 -5.028 1.00 0.00 H new ATOM 0 HA TYR A 28 4.177 -4.916 -3.860 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.361 -6.692 -5.700 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.543 -5.558 -6.756 1.00 0.00 H new ATOM 0 HD1 TYR A 28 6.617 -6.090 -4.751 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.744 -3.707 -7.747 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.779 -5.056 -5.277 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.914 -2.682 -8.284 1.00 0.00 H new ATOM 0 HH TYR A 28 9.528 -2.745 -6.340 1.00 0.00 H new ATOM 443 N PHE A 29 3.396 -2.628 -4.365 1.00 0.00 N ATOM 444 CA PHE A 29 2.873 -1.284 -4.562 1.00 0.00 C ATOM 445 C PHE A 29 3.920 -0.351 -5.142 1.00 0.00 C ATOM 446 O PHE A 29 5.125 -0.566 -4.990 1.00 0.00 O ATOM 447 CB PHE A 29 2.353 -0.708 -3.247 1.00 0.00 C ATOM 448 CG PHE A 29 1.105 -1.375 -2.747 1.00 0.00 C ATOM 449 CD1 PHE A 29 1.162 -2.598 -2.103 1.00 0.00 C ATOM 450 CD2 PHE A 29 -0.129 -0.775 -2.923 1.00 0.00 C ATOM 451 CE1 PHE A 29 0.013 -3.211 -1.646 1.00 0.00 C ATOM 452 CE2 PHE A 29 -1.281 -1.383 -2.466 1.00 0.00 C ATOM 453 CZ PHE A 29 -1.210 -2.603 -1.828 1.00 0.00 C ATOM 0 H PHE A 29 4.159 -2.693 -3.692 1.00 0.00 H new ATOM 0 HA PHE A 29 2.052 -1.364 -5.274 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.131 -0.798 -2.489 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.158 0.356 -3.379 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.118 -3.079 -1.956 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.192 0.180 -3.424 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.072 -4.167 -1.146 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.238 -0.903 -2.608 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.111 -3.081 -1.472 1.00 0.00 H new ATOM 463 N HIS A 30 3.439 0.683 -5.802 1.00 0.00 N ATOM 464 CA HIS A 30 4.285 1.719 -6.360 1.00 0.00 C ATOM 465 C HIS A 30 3.653 3.082 -6.061 1.00 0.00 C ATOM 466 O HIS A 30 2.446 3.257 -6.224 1.00 0.00 O ATOM 467 CB HIS A 30 4.475 1.505 -7.870 1.00 0.00 C ATOM 468 CG HIS A 30 5.414 2.480 -8.516 1.00 0.00 C ATOM 469 ND1 HIS A 30 5.147 3.085 -9.719 1.00 0.00 N ATOM 470 CD2 HIS A 30 6.608 2.973 -8.109 1.00 0.00 C ATOM 471 CE1 HIS A 30 6.125 3.915 -10.022 1.00 0.00 C ATOM 472 NE2 HIS A 30 7.027 3.866 -9.062 1.00 0.00 N ATOM 0 H HIS A 30 2.443 0.829 -5.968 1.00 0.00 H new ATOM 0 HA HIS A 30 5.274 1.679 -5.904 1.00 0.00 H new ATOM 0 HB2 HIS A 30 4.846 0.494 -8.038 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.504 1.574 -8.360 1.00 0.00 H new ATOM 0 HD2 HIS A 30 7.133 2.711 -7.202 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.178 4.531 -10.907 1.00 0.00 H new ATOM 0 HE2 HIS A 30 7.893 4.403 -9.033 1.00 0.00 H new ATOM 481 N VAL A 31 4.481 4.027 -5.623 1.00 0.00 N ATOM 482 CA VAL A 31 4.030 5.327 -5.103 1.00 0.00 C ATOM 483 C VAL A 31 3.050 6.059 -6.034 1.00 0.00 C ATOM 484 O VAL A 31 2.185 6.802 -5.566 1.00 0.00 O ATOM 485 CB VAL A 31 5.246 6.239 -4.805 1.00 0.00 C ATOM 486 CG1 VAL A 31 6.005 6.582 -6.079 1.00 0.00 C ATOM 487 CG2 VAL A 31 4.812 7.499 -4.073 1.00 0.00 C ATOM 0 H VAL A 31 5.495 3.916 -5.617 1.00 0.00 H new ATOM 0 HA VAL A 31 3.486 5.110 -4.184 1.00 0.00 H new ATOM 0 HB VAL A 31 5.925 5.687 -4.155 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.852 7.223 -5.836 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.365 5.665 -6.546 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.341 7.104 -6.769 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.683 8.123 -3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.102 8.051 -4.689 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.339 7.227 -3.130 1.00 0.00 H new ATOM 497 N ILE A 32 3.168 5.835 -7.337 1.00 0.00 N ATOM 498 CA ILE A 32 2.324 6.524 -8.310 1.00 0.00 C ATOM 499 C ILE A 32 0.845 6.154 -8.130 1.00 0.00 C ATOM 500 O ILE A 32 -0.052 6.969 -8.368 1.00 0.00 O ATOM 501 CB ILE A 32 2.775 6.212 -9.758 1.00 0.00 C ATOM 502 CG1 ILE A 32 1.978 7.043 -10.749 1.00 0.00 C ATOM 503 CG2 ILE A 32 2.614 4.733 -10.072 1.00 0.00 C ATOM 504 CD1 ILE A 32 2.601 7.115 -12.126 1.00 0.00 C ATOM 0 H ILE A 32 3.838 5.183 -7.745 1.00 0.00 H new ATOM 0 HA ILE A 32 2.434 7.594 -8.132 1.00 0.00 H new ATOM 0 HB ILE A 32 3.831 6.469 -9.845 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.975 6.625 -10.836 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.869 8.054 -10.356 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.938 4.541 -11.095 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.222 4.146 -9.383 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.567 4.450 -9.964 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.975 7.725 -12.777 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.593 7.561 -12.054 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.685 6.110 -12.540 1.00 0.00 H new ATOM 516 N LYS A 33 0.603 4.931 -7.682 1.00 0.00 N ATOM 517 CA LYS A 33 -0.756 4.428 -7.505 1.00 0.00 C ATOM 518 C LYS A 33 -1.282 4.774 -6.113 1.00 0.00 C ATOM 519 O LYS A 33 -2.464 4.592 -5.816 1.00 0.00 O ATOM 520 CB LYS A 33 -0.794 2.910 -7.711 1.00 0.00 C ATOM 521 CG LYS A 33 -0.168 2.441 -9.019 1.00 0.00 C ATOM 522 CD LYS A 33 -0.870 3.033 -10.232 1.00 0.00 C ATOM 523 CE LYS A 33 -0.208 2.582 -11.524 1.00 0.00 C ATOM 524 NZ LYS A 33 -0.832 3.214 -12.716 1.00 0.00 N ATOM 0 H LYS A 33 1.333 4.264 -7.433 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.394 4.904 -8.249 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.277 2.429 -6.881 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.831 2.576 -7.677 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.885 2.721 -9.037 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.210 1.353 -9.071 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.917 2.732 -10.232 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.851 4.121 -10.171 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.853 2.831 -11.495 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.279 1.498 -11.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.352 2.881 -13.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.839 2.956 -12.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.742 4.248 -12.648 1.00 0.00 H new ATOM 538 N VAL A 34 -0.401 5.278 -5.264 1.00 0.00 N ATOM 539 CA VAL A 34 -0.769 5.624 -3.902 1.00 0.00 C ATOM 540 C VAL A 34 -1.218 7.078 -3.830 1.00 0.00 C ATOM 541 O VAL A 34 -0.575 7.961 -4.399 1.00 0.00 O ATOM 542 CB VAL A 34 0.404 5.400 -2.926 1.00 0.00 C ATOM 543 CG1 VAL A 34 -0.029 5.646 -1.490 1.00 0.00 C ATOM 544 CG2 VAL A 34 0.966 3.996 -3.081 1.00 0.00 C ATOM 0 H VAL A 34 0.576 5.457 -5.495 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.591 4.971 -3.608 1.00 0.00 H new ATOM 0 HB VAL A 34 1.189 6.116 -3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.816 5.481 -0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.379 6.673 -1.386 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.835 4.960 -1.231 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.793 3.856 -2.385 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.185 3.266 -2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.324 3.858 -4.101 1.00 0.00 H new ATOM 554 N ALA A 35 -2.326 7.323 -3.144 1.00 0.00 N ATOM 555 CA ALA A 35 -2.876 8.667 -3.030 1.00 0.00 C ATOM 556 C ALA A 35 -2.335 9.381 -1.795 1.00 0.00 C ATOM 557 O ALA A 35 -2.293 10.610 -1.748 1.00 0.00 O ATOM 558 CB ALA A 35 -4.397 8.614 -2.994 1.00 0.00 C ATOM 0 H ALA A 35 -2.863 6.606 -2.656 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.566 9.236 -3.907 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.794 9.625 -2.909 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.767 8.155 -3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.720 8.024 -2.137 1.00 0.00 H new ATOM 564 N ASN A 36 -1.908 8.607 -0.802 1.00 0.00 N ATOM 565 CA ASN A 36 -1.395 9.172 0.449 1.00 0.00 C ATOM 566 C ASN A 36 0.032 8.694 0.717 1.00 0.00 C ATOM 567 O ASN A 36 0.270 7.982 1.691 1.00 0.00 O ATOM 568 CB ASN A 36 -2.268 8.753 1.638 1.00 0.00 C ATOM 569 CG ASN A 36 -3.710 9.224 1.586 1.00 0.00 C ATOM 570 OD1 ASN A 36 -4.272 9.481 0.526 1.00 0.00 O ATOM 571 ND2 ASN A 36 -4.328 9.313 2.754 1.00 0.00 N ATOM 0 H ASN A 36 -1.906 7.588 -0.836 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.411 10.256 0.341 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.261 7.665 1.706 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.813 9.132 2.553 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.305 9.604 2.793 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.827 9.091 3.614 1.00 0.00 H new ATOM 578 N PRO A 37 1.008 9.077 -0.123 1.00 0.00 N ATOM 579 CA PRO A 37 2.374 8.548 -0.022 1.00 0.00 C ATOM 580 C PRO A 37 3.149 9.077 1.185 1.00 0.00 C ATOM 581 O PRO A 37 4.002 8.380 1.731 1.00 0.00 O ATOM 582 CB PRO A 37 3.023 9.014 -1.323 1.00 0.00 C ATOM 583 CG PRO A 37 2.289 10.255 -1.689 1.00 0.00 C ATOM 584 CD PRO A 37 0.872 10.048 -1.226 1.00 0.00 C ATOM 0 HA PRO A 37 2.372 7.467 0.118 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.087 9.209 -1.187 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.935 8.257 -2.103 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.733 11.127 -1.209 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.327 10.429 -2.764 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.420 10.980 -0.887 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.241 9.661 -2.026 1.00 0.00 H new ATOM 592 N ASP A 38 2.851 10.299 1.608 1.00 0.00 N ATOM 593 CA ASP A 38 3.575 10.908 2.719 1.00 0.00 C ATOM 594 C ASP A 38 2.959 10.480 4.044 1.00 0.00 C ATOM 595 O ASP A 38 3.589 10.557 5.100 1.00 0.00 O ATOM 596 CB ASP A 38 3.558 12.434 2.599 1.00 0.00 C ATOM 597 CG ASP A 38 4.537 13.108 3.541 1.00 0.00 C ATOM 598 OD1 ASP A 38 5.749 13.130 3.229 1.00 0.00 O ATOM 599 OD2 ASP A 38 4.102 13.642 4.583 1.00 0.00 O ATOM 0 H ASP A 38 2.120 10.884 1.204 1.00 0.00 H new ATOM 0 HA ASP A 38 4.610 10.569 2.684 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.795 12.716 1.573 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.552 12.799 2.806 1.00 0.00 H new ATOM 604 N LEU A 39 1.729 9.993 3.971 1.00 0.00 N ATOM 605 CA LEU A 39 1.000 9.576 5.152 1.00 0.00 C ATOM 606 C LEU A 39 1.248 8.102 5.429 1.00 0.00 C ATOM 607 O LEU A 39 0.846 7.575 6.465 1.00 0.00 O ATOM 608 CB LEU A 39 -0.492 9.838 4.963 1.00 0.00 C ATOM 609 CG LEU A 39 -0.881 11.312 4.837 1.00 0.00 C ATOM 610 CD1 LEU A 39 -2.381 11.450 4.638 1.00 0.00 C ATOM 611 CD2 LEU A 39 -0.437 12.095 6.065 1.00 0.00 C ATOM 0 H LEU A 39 1.215 9.878 3.098 1.00 0.00 H new ATOM 0 HA LEU A 39 1.352 10.153 6.007 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.827 9.312 4.069 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.031 9.407 5.807 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.373 11.724 3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.641 12.505 4.550 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.677 10.926 3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.903 11.018 5.492 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.724 13.141 5.953 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.914 11.681 6.953 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.646 12.025 6.169 1.00 0.00 H new ATOM 623 N ILE A 40 1.906 7.447 4.478 1.00 0.00 N ATOM 624 CA ILE A 40 2.285 6.052 4.619 1.00 0.00 C ATOM 625 C ILE A 40 3.219 5.867 5.810 1.00 0.00 C ATOM 626 O ILE A 40 4.300 6.457 5.867 1.00 0.00 O ATOM 627 CB ILE A 40 2.968 5.531 3.336 1.00 0.00 C ATOM 628 CG1 ILE A 40 1.952 5.457 2.193 1.00 0.00 C ATOM 629 CG2 ILE A 40 3.621 4.171 3.573 1.00 0.00 C ATOM 630 CD1 ILE A 40 2.528 4.940 0.895 1.00 0.00 C ATOM 0 H ILE A 40 2.189 7.869 3.593 1.00 0.00 H new ATOM 0 HA ILE A 40 1.375 5.477 4.787 1.00 0.00 H new ATOM 0 HB ILE A 40 3.757 6.230 3.057 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.126 4.813 2.495 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.536 6.450 2.025 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.094 3.829 2.652 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.374 4.260 4.356 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.862 3.451 3.880 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.748 4.917 0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.334 5.596 0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.918 3.933 1.045 1.00 0.00 H new ATOM 642 N LYS A 41 2.782 5.061 6.764 1.00 0.00 N ATOM 643 CA LYS A 41 3.560 4.794 7.960 1.00 0.00 C ATOM 644 C LYS A 41 3.733 3.303 8.180 1.00 0.00 C ATOM 645 O LYS A 41 3.136 2.484 7.483 1.00 0.00 O ATOM 646 CB LYS A 41 2.892 5.421 9.185 1.00 0.00 C ATOM 647 CG LYS A 41 3.257 6.880 9.407 1.00 0.00 C ATOM 648 CD LYS A 41 4.741 7.029 9.707 1.00 0.00 C ATOM 649 CE LYS A 41 5.126 8.464 10.028 1.00 0.00 C ATOM 650 NZ LYS A 41 6.574 8.589 10.345 1.00 0.00 N ATOM 0 H LYS A 41 1.885 4.577 6.731 1.00 0.00 H new ATOM 0 HA LYS A 41 4.545 5.240 7.820 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.810 5.340 9.078 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.169 4.849 10.070 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.001 7.462 8.522 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.672 7.283 10.234 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.005 6.388 10.548 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.319 6.684 8.850 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.883 9.104 9.180 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.537 8.818 10.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.798 9.582 10.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.801 7.998 11.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.136 8.275 9.529 1.00 0.00 H new ATOM 664 N LYS A 42 4.542 2.963 9.164 1.00 0.00 N ATOM 665 CA LYS A 42 4.806 1.580 9.503 1.00 0.00 C ATOM 666 C LYS A 42 3.693 1.074 10.409 1.00 0.00 C ATOM 667 O LYS A 42 3.269 1.791 11.316 1.00 0.00 O ATOM 668 CB LYS A 42 6.152 1.476 10.220 1.00 0.00 C ATOM 669 CG LYS A 42 6.692 0.062 10.336 1.00 0.00 C ATOM 670 CD LYS A 42 7.315 -0.416 9.035 1.00 0.00 C ATOM 671 CE LYS A 42 8.065 -1.726 9.231 1.00 0.00 C ATOM 672 NZ LYS A 42 9.081 -1.633 10.317 1.00 0.00 N ATOM 0 H LYS A 42 5.034 3.637 9.750 1.00 0.00 H new ATOM 0 HA LYS A 42 4.842 0.975 8.597 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.881 2.088 9.689 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.051 1.897 11.220 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.437 0.022 11.131 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.885 -0.613 10.621 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.537 -0.549 8.284 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.998 0.344 8.655 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.354 -2.518 9.467 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.556 -2.005 8.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.810 -2.360 10.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.522 -0.691 10.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.620 -1.782 11.237 1.00 0.00 H new ATOM 686 N ASP A 43 3.203 -0.135 10.144 1.00 0.00 N ATOM 687 CA ASP A 43 2.147 -0.748 10.966 1.00 0.00 C ATOM 688 C ASP A 43 0.824 0.023 10.828 1.00 0.00 C ATOM 689 O ASP A 43 -0.116 -0.170 11.599 1.00 0.00 O ATOM 690 CB ASP A 43 2.599 -0.813 12.437 1.00 0.00 C ATOM 691 CG ASP A 43 1.638 -1.564 13.339 1.00 0.00 C ATOM 692 OD1 ASP A 43 1.532 -2.802 13.208 1.00 0.00 O ATOM 693 OD2 ASP A 43 0.995 -0.920 14.198 1.00 0.00 O ATOM 0 H ASP A 43 3.517 -0.715 9.366 1.00 0.00 H new ATOM 0 HA ASP A 43 1.973 -1.763 10.610 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.578 -1.291 12.486 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.720 0.202 12.816 1.00 0.00 H new ATOM 698 N ALA A 44 0.753 0.889 9.824 1.00 0.00 N ATOM 699 CA ALA A 44 -0.449 1.680 9.572 1.00 0.00 C ATOM 700 C ALA A 44 -1.366 0.966 8.586 1.00 0.00 C ATOM 701 O ALA A 44 -0.911 0.135 7.794 1.00 0.00 O ATOM 702 CB ALA A 44 -0.075 3.059 9.050 1.00 0.00 C ATOM 0 H ALA A 44 1.515 1.063 9.169 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.986 1.799 10.513 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.981 3.637 8.867 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.540 3.573 9.789 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.484 2.957 8.120 1.00 0.00 H new ATOM 708 N ALA A 45 -2.653 1.292 8.628 1.00 0.00 N ATOM 709 CA ALA A 45 -3.624 0.650 7.758 1.00 0.00 C ATOM 710 C ALA A 45 -3.982 1.549 6.582 1.00 0.00 C ATOM 711 O ALA A 45 -4.161 2.755 6.739 1.00 0.00 O ATOM 712 CB ALA A 45 -4.872 0.279 8.542 1.00 0.00 C ATOM 0 H ALA A 45 -3.045 1.995 9.254 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.175 -0.261 7.362 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.590 -0.201 7.877 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.606 -0.408 9.345 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.316 1.179 8.966 1.00 0.00 H new ATOM 718 N VAL A 46 -4.072 0.954 5.404 1.00 0.00 N ATOM 719 CA VAL A 46 -4.450 1.678 4.197 1.00 0.00 C ATOM 720 C VAL A 46 -5.621 0.989 3.512 1.00 0.00 C ATOM 721 O VAL A 46 -5.849 -0.201 3.721 1.00 0.00 O ATOM 722 CB VAL A 46 -3.269 1.788 3.204 1.00 0.00 C ATOM 723 CG1 VAL A 46 -2.174 2.679 3.765 1.00 0.00 C ATOM 724 CG2 VAL A 46 -2.711 0.412 2.874 1.00 0.00 C ATOM 0 H VAL A 46 -3.887 -0.038 5.255 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.740 2.684 4.499 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.644 2.238 2.285 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.354 2.742 3.050 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.574 3.677 3.947 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.807 2.259 4.702 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.882 0.514 2.174 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.358 -0.066 3.788 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.493 -0.199 2.423 1.00 0.00 H new ATOM 734 N THR A 47 -6.365 1.730 2.704 1.00 0.00 N ATOM 735 CA THR A 47 -7.487 1.165 1.979 1.00 0.00 C ATOM 736 C THR A 47 -7.288 1.325 0.480 1.00 0.00 C ATOM 737 O THR A 47 -6.834 2.372 0.014 1.00 0.00 O ATOM 738 CB THR A 47 -8.824 1.808 2.401 1.00 0.00 C ATOM 739 OG1 THR A 47 -8.644 3.208 2.661 1.00 0.00 O ATOM 740 CG2 THR A 47 -9.389 1.122 3.634 1.00 0.00 C ATOM 0 H THR A 47 -6.210 2.724 2.536 1.00 0.00 H new ATOM 0 HA THR A 47 -7.531 0.104 2.226 1.00 0.00 H new ATOM 0 HB THR A 47 -9.532 1.686 1.581 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.500 3.604 2.926 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.332 1.593 3.912 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.560 0.068 3.417 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.681 1.213 4.458 1.00 0.00 H new ATOM 748 N PHE A 48 -7.611 0.281 -0.263 1.00 0.00 N ATOM 749 CA PHE A 48 -7.423 0.273 -1.705 1.00 0.00 C ATOM 750 C PHE A 48 -8.319 -0.775 -2.348 1.00 0.00 C ATOM 751 O PHE A 48 -9.034 -1.498 -1.651 1.00 0.00 O ATOM 752 CB PHE A 48 -5.954 -0.012 -2.040 1.00 0.00 C ATOM 753 CG PHE A 48 -5.362 -1.151 -1.252 1.00 0.00 C ATOM 754 CD1 PHE A 48 -5.707 -2.463 -1.532 1.00 0.00 C ATOM 755 CD2 PHE A 48 -4.464 -0.904 -0.227 1.00 0.00 C ATOM 756 CE1 PHE A 48 -5.165 -3.506 -0.807 1.00 0.00 C ATOM 757 CE2 PHE A 48 -3.919 -1.943 0.502 1.00 0.00 C ATOM 758 CZ PHE A 48 -4.270 -3.244 0.211 1.00 0.00 C ATOM 0 H PHE A 48 -8.008 -0.580 0.112 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.693 1.252 -2.100 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.870 -0.236 -3.103 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.368 0.888 -1.856 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.408 -2.673 -2.326 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.186 0.114 0.005 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.441 -4.525 -1.036 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.219 -1.737 1.298 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.845 -4.058 0.779 1.00 0.00 H new ATOM 768 N GLU A 49 -8.296 -0.841 -3.667 1.00 0.00 N ATOM 769 CA GLU A 49 -8.980 -1.899 -4.386 1.00 0.00 C ATOM 770 C GLU A 49 -7.975 -2.832 -5.047 1.00 0.00 C ATOM 771 O GLU A 49 -6.921 -2.398 -5.525 1.00 0.00 O ATOM 772 CB GLU A 49 -9.973 -1.333 -5.407 1.00 0.00 C ATOM 773 CG GLU A 49 -9.552 -0.015 -6.038 1.00 0.00 C ATOM 774 CD GLU A 49 -10.080 1.173 -5.257 1.00 0.00 C ATOM 775 OE1 GLU A 49 -11.283 1.485 -5.391 1.00 0.00 O ATOM 776 OE2 GLU A 49 -9.309 1.792 -4.499 1.00 0.00 O ATOM 0 H GLU A 49 -7.809 -0.172 -4.263 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.557 -2.478 -3.665 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.119 -2.069 -6.198 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.937 -1.195 -4.918 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.464 0.035 -6.086 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.918 0.031 -7.063 1.00 0.00 H new ATOM 783 N PRO A 50 -8.292 -4.133 -5.071 1.00 0.00 N ATOM 784 CA PRO A 50 -7.381 -5.172 -5.548 1.00 0.00 C ATOM 785 C PRO A 50 -7.282 -5.243 -7.067 1.00 0.00 C ATOM 786 O PRO A 50 -8.205 -4.859 -7.788 1.00 0.00 O ATOM 787 CB PRO A 50 -7.991 -6.474 -5.007 1.00 0.00 C ATOM 788 CG PRO A 50 -9.145 -6.069 -4.147 1.00 0.00 C ATOM 789 CD PRO A 50 -9.560 -4.707 -4.614 1.00 0.00 C ATOM 0 HA PRO A 50 -6.364 -4.977 -5.209 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.321 -7.118 -5.823 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.257 -7.038 -4.432 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.967 -6.779 -4.240 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.858 -6.049 -3.096 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.295 -4.759 -5.417 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -10.006 -4.120 -3.811 1.00 0.00 H new ATOM 797 N THR A 51 -6.147 -5.740 -7.538 1.00 0.00 N ATOM 798 CA THR A 51 -5.922 -5.978 -8.951 1.00 0.00 C ATOM 799 C THR A 51 -4.674 -6.841 -9.118 1.00 0.00 C ATOM 800 O THR A 51 -4.043 -7.235 -8.131 1.00 0.00 O ATOM 801 CB THR A 51 -5.773 -4.648 -9.741 1.00 0.00 C ATOM 802 OG1 THR A 51 -5.777 -4.897 -11.157 1.00 0.00 O ATOM 803 CG2 THR A 51 -4.496 -3.914 -9.355 1.00 0.00 C ATOM 0 H THR A 51 -5.355 -5.990 -6.946 1.00 0.00 H new ATOM 0 HA THR A 51 -6.789 -6.498 -9.359 1.00 0.00 H new ATOM 0 HB THR A 51 -6.625 -4.018 -9.484 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.684 -4.049 -11.639 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.422 -2.988 -9.925 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.517 -3.683 -8.290 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.634 -4.544 -9.573 1.00 0.00 H new ATOM 811 N THR A 52 -4.335 -7.161 -10.348 1.00 0.00 N ATOM 812 CA THR A 52 -3.119 -7.895 -10.632 1.00 0.00 C ATOM 813 C THR A 52 -2.194 -7.070 -11.511 1.00 0.00 C ATOM 814 O THR A 52 -2.647 -6.289 -12.345 1.00 0.00 O ATOM 815 CB THR A 52 -3.424 -9.243 -11.308 1.00 0.00 C ATOM 816 OG1 THR A 52 -4.425 -9.071 -12.319 1.00 0.00 O ATOM 817 CG2 THR A 52 -3.896 -10.269 -10.289 1.00 0.00 C ATOM 0 H THR A 52 -4.887 -6.923 -11.172 1.00 0.00 H new ATOM 0 HA THR A 52 -2.623 -8.096 -9.682 1.00 0.00 H new ATOM 0 HB THR A 52 -2.505 -9.608 -11.766 1.00 0.00 H new ATOM 0 HG1 THR A 52 -4.611 -9.934 -12.745 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.105 -11.213 -10.793 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.119 -10.422 -9.540 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.803 -9.909 -9.803 1.00 0.00 H new ATOM 825 N ASN A 53 -0.899 -7.230 -11.305 1.00 0.00 N ATOM 826 CA ASN A 53 0.093 -6.499 -12.080 1.00 0.00 C ATOM 827 C ASN A 53 0.748 -7.438 -13.080 1.00 0.00 C ATOM 828 O ASN A 53 1.888 -7.218 -13.495 1.00 0.00 O ATOM 829 CB ASN A 53 1.161 -5.916 -11.154 1.00 0.00 C ATOM 830 CG ASN A 53 1.887 -4.727 -11.758 1.00 0.00 C ATOM 831 OD1 ASN A 53 1.156 -3.876 -12.461 1.00 0.00 O flip ATOM 832 ND2 ASN A 53 3.091 -4.559 -11.572 1.00 0.00 N flip ATOM 0 H ASN A 53 -0.507 -7.861 -10.606 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.401 -5.684 -12.610 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.694 -5.612 -10.217 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.887 -6.692 -10.911 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.622 -5.236 -11.025 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.559 -3.742 -11.965 1.00 0.00 H new ATOM 839 N ASN A 54 0.012 -8.487 -13.456 1.00 0.00 N ATOM 840 CA ASN A 54 0.524 -9.562 -14.315 1.00 0.00 C ATOM 841 C ASN A 54 1.529 -10.431 -13.558 1.00 0.00 C ATOM 842 O ASN A 54 1.356 -11.645 -13.449 1.00 0.00 O ATOM 843 CB ASN A 54 1.160 -9.008 -15.597 1.00 0.00 C ATOM 844 CG ASN A 54 1.769 -10.094 -16.460 1.00 0.00 C ATOM 845 OD1 ASN A 54 2.937 -10.450 -16.301 1.00 0.00 O ATOM 846 ND2 ASN A 54 0.991 -10.614 -17.391 1.00 0.00 N ATOM 0 H ASN A 54 -0.959 -8.617 -13.173 1.00 0.00 H new ATOM 0 HA ASN A 54 -0.327 -10.180 -14.603 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.404 -8.473 -16.172 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.931 -8.284 -15.333 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.352 -11.339 -18.011 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.028 -10.291 -17.490 1.00 0.00 H new ATOM 853 N LYS A 55 2.571 -9.799 -13.026 1.00 0.00 N ATOM 854 CA LYS A 55 3.597 -10.497 -12.268 1.00 0.00 C ATOM 855 C LYS A 55 3.023 -11.094 -10.988 1.00 0.00 C ATOM 856 O LYS A 55 3.390 -12.198 -10.584 1.00 0.00 O ATOM 857 CB LYS A 55 4.732 -9.534 -11.921 1.00 0.00 C ATOM 858 CG LYS A 55 5.544 -9.066 -13.118 1.00 0.00 C ATOM 859 CD LYS A 55 6.591 -8.042 -12.703 1.00 0.00 C ATOM 860 CE LYS A 55 7.493 -7.645 -13.860 1.00 0.00 C ATOM 861 NZ LYS A 55 6.731 -7.056 -14.989 1.00 0.00 N ATOM 0 H LYS A 55 2.725 -8.794 -13.109 1.00 0.00 H new ATOM 0 HA LYS A 55 3.981 -11.310 -12.885 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.312 -8.663 -11.418 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.401 -10.020 -11.211 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.032 -9.920 -13.587 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.880 -8.630 -13.864 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.094 -7.155 -12.310 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.197 -8.451 -11.895 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.234 -6.927 -13.510 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.039 -8.521 -14.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.394 -6.678 -15.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.139 -7.789 -15.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.126 -6.288 -14.636 1.00 0.00 H new ATOM 875 N GLY A 56 2.130 -10.353 -10.348 1.00 0.00 N ATOM 876 CA GLY A 56 1.543 -10.811 -9.108 1.00 0.00 C ATOM 877 C GLY A 56 0.420 -9.912 -8.644 1.00 0.00 C ATOM 878 O GLY A 56 -0.183 -9.196 -9.449 1.00 0.00 O ATOM 0 H GLY A 56 1.802 -9.441 -10.667 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.164 -11.825 -9.239 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.313 -10.856 -8.338 1.00 0.00 H new ATOM 882 N LEU A 57 0.146 -9.937 -7.347 1.00 0.00 N ATOM 883 CA LEU A 57 -0.931 -9.148 -6.781 1.00 0.00 C ATOM 884 C LEU A 57 -0.469 -7.729 -6.473 1.00 0.00 C ATOM 885 O LEU A 57 0.606 -7.521 -5.908 1.00 0.00 O ATOM 886 CB LEU A 57 -1.461 -9.815 -5.511 1.00 0.00 C ATOM 887 CG LEU A 57 -2.187 -11.142 -5.723 1.00 0.00 C ATOM 888 CD1 LEU A 57 -2.632 -11.721 -4.388 1.00 0.00 C ATOM 889 CD2 LEU A 57 -3.381 -10.955 -6.648 1.00 0.00 C ATOM 0 H LEU A 57 0.659 -10.499 -6.667 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.733 -9.092 -7.517 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.625 -9.982 -4.832 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.141 -9.123 -5.014 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.497 -11.843 -6.192 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.148 -12.667 -4.555 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.760 -11.890 -3.756 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.307 -11.022 -3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.886 -11.911 -6.788 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.074 -10.239 -6.207 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.039 -10.581 -7.613 1.00 0.00 H new ATOM 901 N SER A 58 -1.293 -6.762 -6.849 1.00 0.00 N ATOM 902 CA SER A 58 -1.007 -5.357 -6.633 1.00 0.00 C ATOM 903 C SER A 58 -2.310 -4.599 -6.407 1.00 0.00 C ATOM 904 O SER A 58 -3.393 -5.154 -6.591 1.00 0.00 O ATOM 905 CB SER A 58 -0.268 -4.783 -7.836 1.00 0.00 C ATOM 906 OG SER A 58 0.800 -5.625 -8.224 1.00 0.00 O ATOM 0 H SER A 58 -2.184 -6.934 -7.315 1.00 0.00 H new ATOM 0 HA SER A 58 -0.374 -5.251 -5.752 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.961 -4.661 -8.669 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.115 -3.792 -7.593 1.00 0.00 H new ATOM 0 HG SER A 58 1.604 -5.389 -7.715 1.00 0.00 H new ATOM 912 N ALA A 59 -2.215 -3.357 -5.971 1.00 0.00 N ATOM 913 CA ALA A 59 -3.399 -2.543 -5.755 1.00 0.00 C ATOM 914 C ALA A 59 -3.129 -1.092 -6.121 1.00 0.00 C ATOM 915 O ALA A 59 -1.971 -0.684 -6.249 1.00 0.00 O ATOM 916 CB ALA A 59 -3.857 -2.654 -4.313 1.00 0.00 C ATOM 0 H ALA A 59 -1.333 -2.890 -5.760 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.195 -2.913 -6.402 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.745 -2.039 -4.165 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.093 -3.693 -4.085 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.062 -2.309 -3.651 1.00 0.00 H new ATOM 922 N TYR A 60 -4.193 -0.320 -6.287 1.00 0.00 N ATOM 923 CA TYR A 60 -4.070 1.086 -6.635 1.00 0.00 C ATOM 924 C TYR A 60 -5.096 1.908 -5.881 1.00 0.00 C ATOM 925 O TYR A 60 -5.900 1.361 -5.122 1.00 0.00 O ATOM 926 CB TYR A 60 -4.227 1.305 -8.145 1.00 0.00 C ATOM 927 CG TYR A 60 -5.585 0.927 -8.705 1.00 0.00 C ATOM 928 CD1 TYR A 60 -5.878 -0.383 -9.068 1.00 0.00 C ATOM 929 CD2 TYR A 60 -6.574 1.889 -8.882 1.00 0.00 C ATOM 930 CE1 TYR A 60 -7.115 -0.722 -9.589 1.00 0.00 C ATOM 931 CE2 TYR A 60 -7.808 1.559 -9.403 1.00 0.00 C ATOM 932 CZ TYR A 60 -8.076 0.255 -9.754 1.00 0.00 C ATOM 933 OH TYR A 60 -9.305 -0.071 -10.281 1.00 0.00 O ATOM 0 H TYR A 60 -5.154 -0.646 -6.186 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.070 1.412 -6.349 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.038 2.355 -8.367 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.462 0.727 -8.663 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.128 -1.149 -8.941 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.372 2.914 -8.606 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.327 -1.745 -9.865 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -8.562 2.321 -9.535 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.864 0.732 -10.329 1.00 0.00 H new ATOM 943 N ALA A 61 -5.065 3.217 -6.118 1.00 0.00 N ATOM 944 CA ALA A 61 -5.923 4.165 -5.412 1.00 0.00 C ATOM 945 C ALA A 61 -5.790 3.985 -3.903 1.00 0.00 C ATOM 946 O ALA A 61 -6.773 4.045 -3.165 1.00 0.00 O ATOM 947 CB ALA A 61 -7.371 4.005 -5.852 1.00 0.00 C ATOM 0 H ALA A 61 -4.446 3.650 -6.803 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.602 5.176 -5.663 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.995 4.719 -5.315 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.448 4.189 -6.924 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.708 2.992 -5.633 1.00 0.00 H new ATOM 953 N VAL A 62 -4.561 3.780 -3.455 1.00 0.00 N ATOM 954 CA VAL A 62 -4.292 3.477 -2.059 1.00 0.00 C ATOM 955 C VAL A 62 -4.380 4.727 -1.195 1.00 0.00 C ATOM 956 O VAL A 62 -3.510 5.602 -1.260 1.00 0.00 O ATOM 957 CB VAL A 62 -2.896 2.846 -1.886 1.00 0.00 C ATOM 958 CG1 VAL A 62 -2.692 2.361 -0.458 1.00 0.00 C ATOM 959 CG2 VAL A 62 -2.697 1.711 -2.877 1.00 0.00 C ATOM 0 H VAL A 62 -3.729 3.819 -4.044 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.052 2.765 -1.737 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.148 3.612 -2.089 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.700 1.920 -0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.783 3.203 0.229 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.447 1.612 -0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.706 1.278 -2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.454 0.945 -2.710 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.788 2.095 -3.893 1.00 0.00 H new ATOM 969 N LYS A 63 -5.436 4.816 -0.403 1.00 0.00 N ATOM 970 CA LYS A 63 -5.592 5.903 0.535 1.00 0.00 C ATOM 971 C LYS A 63 -5.408 5.392 1.959 1.00 0.00 C ATOM 972 O LYS A 63 -6.031 4.406 2.367 1.00 0.00 O ATOM 973 CB LYS A 63 -6.957 6.587 0.373 1.00 0.00 C ATOM 974 CG LYS A 63 -8.171 5.676 0.506 1.00 0.00 C ATOM 975 CD LYS A 63 -8.467 4.931 -0.787 1.00 0.00 C ATOM 976 CE LYS A 63 -9.625 3.959 -0.629 1.00 0.00 C ATOM 977 NZ LYS A 63 -9.870 3.183 -1.875 1.00 0.00 N ATOM 0 H LYS A 63 -6.200 4.141 -0.395 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.825 6.649 0.327 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.037 7.379 1.117 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.990 7.065 -0.606 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.999 4.958 1.308 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.040 6.269 0.790 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.700 5.648 -1.574 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.577 4.387 -1.104 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.414 3.273 0.191 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.527 4.509 -0.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.350 2.291 -1.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.469 3.739 -2.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.963 2.976 -2.339 1.00 0.00 H new ATOM 991 N VAL A 64 -4.531 6.053 2.695 1.00 0.00 N ATOM 992 CA VAL A 64 -4.224 5.676 4.066 1.00 0.00 C ATOM 993 C VAL A 64 -5.441 5.876 4.966 1.00 0.00 C ATOM 994 O VAL A 64 -6.282 6.734 4.701 1.00 0.00 O ATOM 995 CB VAL A 64 -3.028 6.506 4.601 1.00 0.00 C ATOM 996 CG1 VAL A 64 -2.760 6.232 6.074 1.00 0.00 C ATOM 997 CG2 VAL A 64 -1.780 6.215 3.786 1.00 0.00 C ATOM 0 H VAL A 64 -4.012 6.865 2.361 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.954 4.620 4.075 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.291 7.559 4.501 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.915 6.834 6.408 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.643 6.490 6.659 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.530 5.175 6.212 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.948 6.804 4.172 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.538 5.155 3.857 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.957 6.477 2.743 1.00 0.00 H new ATOM 1007 N VAL A 65 -5.541 5.059 6.005 1.00 0.00 N ATOM 1008 CA VAL A 65 -6.570 5.215 7.017 1.00 0.00 C ATOM 1009 C VAL A 65 -5.948 5.811 8.276 1.00 0.00 C ATOM 1010 O VAL A 65 -5.502 5.085 9.167 1.00 0.00 O ATOM 1011 CB VAL A 65 -7.246 3.870 7.355 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -8.327 4.048 8.410 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -7.818 3.224 6.103 1.00 0.00 C ATOM 0 H VAL A 65 -4.912 4.273 6.168 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.338 5.881 6.624 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.484 3.207 7.765 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.785 3.083 8.628 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.884 4.453 9.320 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.087 4.736 8.040 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.290 2.277 6.365 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.559 3.887 5.657 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.016 3.044 5.388 1.00 0.00 H new ATOM 1023 N PRO A 66 -5.855 7.144 8.342 1.00 0.00 N ATOM 1024 CA PRO A 66 -5.198 7.831 9.433 1.00 0.00 C ATOM 1025 C PRO A 66 -6.163 8.222 10.543 1.00 0.00 C ATOM 1026 O PRO A 66 -7.378 8.297 10.336 1.00 0.00 O ATOM 1027 CB PRO A 66 -4.643 9.072 8.740 1.00 0.00 C ATOM 1028 CG PRO A 66 -5.624 9.378 7.651 1.00 0.00 C ATOM 1029 CD PRO A 66 -6.385 8.102 7.360 1.00 0.00 C ATOM 0 HA PRO A 66 -4.448 7.215 9.929 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.553 9.906 9.436 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.648 8.886 8.335 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.306 10.170 7.959 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.109 9.731 6.757 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.460 8.242 7.478 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.218 7.761 6.338 1.00 0.00 H new ATOM 1037 N LEU A 67 -5.614 8.458 11.718 1.00 0.00 N ATOM 1038 CA LEU A 67 -6.389 8.967 12.832 1.00 0.00 C ATOM 1039 C LEU A 67 -6.342 10.485 12.803 1.00 0.00 C ATOM 1040 O LEU A 67 -7.255 11.166 13.267 1.00 0.00 O ATOM 1041 CB LEU A 67 -5.839 8.436 14.158 1.00 0.00 C ATOM 1042 CG LEU A 67 -5.817 6.911 14.286 1.00 0.00 C ATOM 1043 CD1 LEU A 67 -5.250 6.501 15.632 1.00 0.00 C ATOM 1044 CD2 LEU A 67 -7.213 6.336 14.105 1.00 0.00 C ATOM 0 H LEU A 67 -4.627 8.304 11.927 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.422 8.631 12.744 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.824 8.811 14.289 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.438 8.845 14.972 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.176 6.512 13.500 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.241 5.414 15.707 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.232 6.880 15.729 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.868 6.915 16.429 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.175 5.251 14.200 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.876 6.744 14.868 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.590 6.601 13.117 1.00 0.00 H new ATOM 1056 N GLU A 68 -5.263 10.998 12.230 1.00 0.00 N ATOM 1057 CA GLU A 68 -5.111 12.419 11.997 1.00 0.00 C ATOM 1058 C GLU A 68 -4.564 12.634 10.591 1.00 0.00 C ATOM 1059 O GLU A 68 -3.567 12.022 10.213 1.00 0.00 O ATOM 1060 CB GLU A 68 -4.166 13.041 13.029 1.00 0.00 C ATOM 1061 CG GLU A 68 -4.074 14.554 12.931 1.00 0.00 C ATOM 1062 CD GLU A 68 -2.986 15.136 13.809 1.00 0.00 C ATOM 1063 OE1 GLU A 68 -3.150 15.141 15.045 1.00 0.00 O ATOM 1064 OE2 GLU A 68 -1.957 15.587 13.260 1.00 0.00 O ATOM 0 H GLU A 68 -4.471 10.438 11.915 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.083 12.903 12.095 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.503 12.769 14.029 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.171 12.615 12.902 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.887 14.835 11.895 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.033 14.990 13.212 1.00 0.00 H new ATOM 1071 N HIS A 69 -5.219 13.490 9.814 1.00 0.00 N ATOM 1072 CA HIS A 69 -4.783 13.761 8.441 1.00 0.00 C ATOM 1073 C HIS A 69 -3.455 14.508 8.426 1.00 0.00 C ATOM 1074 O HIS A 69 -2.755 14.513 7.417 1.00 0.00 O ATOM 1075 CB HIS A 69 -5.838 14.562 7.669 1.00 0.00 C ATOM 1076 CG HIS A 69 -7.053 13.767 7.296 1.00 0.00 C ATOM 1077 ND1 HIS A 69 -7.201 13.135 6.079 1.00 0.00 N ATOM 1078 CD2 HIS A 69 -8.187 13.510 7.988 1.00 0.00 C ATOM 1079 CE1 HIS A 69 -8.371 12.527 6.040 1.00 0.00 C ATOM 1080 NE2 HIS A 69 -8.988 12.739 7.185 1.00 0.00 N ATOM 0 H HIS A 69 -6.049 14.007 10.105 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.650 12.798 7.948 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -6.146 15.415 8.273 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -5.385 14.961 6.762 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -8.418 13.849 8.987 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -8.758 11.953 5.211 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -9.912 12.387 7.434 1.00 0.00 H new ATOM 1089 N HIS A 70 -3.128 15.125 9.563 1.00 0.00 N ATOM 1090 CA HIS A 70 -1.881 15.873 9.740 1.00 0.00 C ATOM 1091 C HIS A 70 -1.847 17.108 8.844 1.00 0.00 C ATOM 1092 O HIS A 70 -1.679 17.004 7.629 1.00 0.00 O ATOM 1093 CB HIS A 70 -0.646 14.996 9.473 1.00 0.00 C ATOM 1094 CG HIS A 70 -0.540 13.788 10.355 1.00 0.00 C ATOM 1095 ND1 HIS A 70 -0.710 13.825 11.724 1.00 0.00 N ATOM 1096 CD2 HIS A 70 -0.274 12.495 10.050 1.00 0.00 C ATOM 1097 CE1 HIS A 70 -0.547 12.613 12.221 1.00 0.00 C ATOM 1098 NE2 HIS A 70 -0.283 11.789 11.226 1.00 0.00 N ATOM 0 H HIS A 70 -3.723 15.120 10.391 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.850 16.194 10.781 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.665 14.671 8.433 1.00 0.00 H new ATOM 0 HB3 HIS A 70 0.250 15.603 9.601 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -0.928 14.660 12.268 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -0.089 12.095 9.064 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.618 12.343 13.264 1.00 0.00 H new ATOM 1107 N HIS A 71 -2.033 18.276 9.452 1.00 0.00 N ATOM 1108 CA HIS A 71 -1.958 19.547 8.734 1.00 0.00 C ATOM 1109 C HIS A 71 -0.592 19.689 8.055 1.00 0.00 C ATOM 1110 O HIS A 71 0.420 19.929 8.715 1.00 0.00 O ATOM 1111 CB HIS A 71 -2.207 20.706 9.708 1.00 0.00 C ATOM 1112 CG HIS A 71 -2.228 22.061 9.069 1.00 0.00 C ATOM 1113 ND1 HIS A 71 -1.205 22.968 9.216 1.00 0.00 N ATOM 1114 CD2 HIS A 71 -3.165 22.675 8.308 1.00 0.00 C ATOM 1115 CE1 HIS A 71 -1.510 24.081 8.579 1.00 0.00 C ATOM 1116 NE2 HIS A 71 -2.693 23.932 8.018 1.00 0.00 N ATOM 0 H HIS A 71 -2.238 18.370 10.447 1.00 0.00 H new ATOM 0 HA HIS A 71 -2.726 19.571 7.961 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -3.159 20.542 10.213 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.433 20.692 10.475 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -4.107 22.255 7.989 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.894 24.966 8.526 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -3.178 24.635 7.460 1.00 0.00 H new ATOM 1125 N HIS A 72 -0.578 19.526 6.740 1.00 0.00 N ATOM 1126 CA HIS A 72 0.666 19.488 5.980 1.00 0.00 C ATOM 1127 C HIS A 72 1.067 20.887 5.527 1.00 0.00 C ATOM 1128 O HIS A 72 0.216 21.686 5.140 1.00 0.00 O ATOM 1129 CB HIS A 72 0.502 18.576 4.760 1.00 0.00 C ATOM 1130 CG HIS A 72 1.676 17.680 4.511 1.00 0.00 C ATOM 1131 ND1 HIS A 72 2.526 17.820 3.435 1.00 0.00 N ATOM 1132 CD2 HIS A 72 2.122 16.605 5.201 1.00 0.00 C ATOM 1133 CE1 HIS A 72 3.441 16.869 3.477 1.00 0.00 C ATOM 1134 NE2 HIS A 72 3.219 16.117 4.539 1.00 0.00 N ATOM 0 H HIS A 72 -1.419 19.417 6.173 1.00 0.00 H new ATOM 0 HA HIS A 72 1.452 19.095 6.625 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.389 17.963 4.894 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.334 19.193 3.877 1.00 0.00 H new ATOM 0 HD1 HIS A 72 2.459 18.544 2.719 1.00 0.00 H new ATOM 0 HD2 HIS A 72 1.692 16.205 6.107 1.00 0.00 H new ATOM 0 HE1 HIS A 72 4.238 16.730 2.762 1.00 0.00 H new ATOM 0 HE2 HIS A 72 3.772 15.307 4.820 1.00 0.00 H new ATOM 1143 N HIS A 73 2.357 21.188 5.603 1.00 0.00 N ATOM 1144 CA HIS A 73 2.875 22.457 5.103 1.00 0.00 C ATOM 1145 C HIS A 73 3.141 22.346 3.604 1.00 0.00 C ATOM 1146 O HIS A 73 2.384 22.875 2.792 1.00 0.00 O ATOM 1147 CB HIS A 73 4.152 22.860 5.847 1.00 0.00 C ATOM 1148 CG HIS A 73 3.963 23.015 7.324 1.00 0.00 C ATOM 1149 ND1 HIS A 73 4.867 22.547 8.254 1.00 0.00 N ATOM 1150 CD2 HIS A 73 2.962 23.587 8.031 1.00 0.00 C ATOM 1151 CE1 HIS A 73 4.428 22.822 9.467 1.00 0.00 C ATOM 1152 NE2 HIS A 73 3.276 23.453 9.359 1.00 0.00 N ATOM 0 H HIS A 73 3.064 20.572 6.005 1.00 0.00 H new ATOM 0 HA HIS A 73 2.130 23.233 5.278 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.921 22.109 5.665 1.00 0.00 H new ATOM 0 HB3 HIS A 73 4.520 23.800 5.436 1.00 0.00 H new ATOM 0 HD2 HIS A 73 2.080 24.061 7.625 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.928 22.573 10.391 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.709 23.788 10.138 1.00 0.00 H new ATOM 1161 N HIS A 74 4.213 21.653 3.243 1.00 0.00 N ATOM 1162 CA HIS A 74 4.472 21.322 1.850 1.00 0.00 C ATOM 1163 C HIS A 74 4.033 19.893 1.583 1.00 0.00 C ATOM 1164 O HIS A 74 4.907 19.014 1.471 1.00 0.00 O ATOM 1165 CB HIS A 74 5.956 21.482 1.502 1.00 0.00 C ATOM 1166 CG HIS A 74 6.373 22.892 1.231 1.00 0.00 C ATOM 1167 ND1 HIS A 74 7.513 23.458 1.756 1.00 0.00 N ATOM 1168 CD2 HIS A 74 5.808 23.844 0.455 1.00 0.00 C ATOM 1169 CE1 HIS A 74 7.630 24.695 1.315 1.00 0.00 C ATOM 1170 NE2 HIS A 74 6.608 24.955 0.524 1.00 0.00 N ATOM 1171 OXT HIS A 74 2.811 19.647 1.537 1.00 0.00 O ATOM 0 H HIS A 74 4.917 21.310 3.897 1.00 0.00 H new ATOM 0 HA HIS A 74 3.905 22.011 1.223 1.00 0.00 H new ATOM 0 HB2 HIS A 74 6.555 21.089 2.324 1.00 0.00 H new ATOM 0 HB3 HIS A 74 6.180 20.874 0.626 1.00 0.00 H new ATOM 0 HD2 HIS A 74 4.895 23.747 -0.114 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.428 25.380 1.560 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.440 25.838 0.042 1.00 0.00 H new TER 1180 HIS A 74