USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 592 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 33 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 36 MET CE :methyl 159:sc= -0.761! (180deg=-2.74!) USER MOD Set 2.1: A 19 MET CE :methyl -134:sc= -0.282 (180deg=-1.37) USER MOD Set 2.2: A 22 TYR OH : rot -167:sc= 0.297 USER MOD Set 2.3: A 55 HIS : no HD1:sc= -2.05! K(o=-2!,f=-2.6) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 23:sc= 0.8 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0932 USER MOD Single : A 5 SER OG : rot 32:sc= 0.0341 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HE2:sc= -3.48! C(o=-3.5!,f=-5!) USER MOD Single : A 31 TYR OH : rot -91:sc= 1.08 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl -161:sc= -7.68! (180deg=-7.96!) USER MOD Single : A 41 ASN : amide:sc= -2.83! C(o=-2.8!,f=-3.6!) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -106:sc= -0.227 (180deg=-1.85!) USER MOD Single : A 56 GLN : amide:sc= -3.75! C(o=-3.7!,f=-3.9!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 80:sc= 0.376 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -178:sc= -4.52 (180deg=-4.66!) USER MOD Single : A 69 GLN : amide:sc= -0.0381 X(o=-0.038,f=0.01) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.215 X(o=-0.21,f=-0.027) USER MOD Single : A 76 SER OG : rot 30:sc= 0.45 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.203 16.518 7.473 1.00 0.00 N ATOM 2 CA GLY A 1 8.325 16.418 6.558 1.00 0.00 C ATOM 3 C GLY A 1 7.963 15.699 5.274 1.00 0.00 C ATOM 4 O GLY A 1 8.177 14.494 5.148 1.00 0.00 O ATOM 0 H1 GLY A 1 7.502 17.017 8.335 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.430 17.044 7.018 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.872 15.564 7.722 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.687 17.418 6.321 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.144 15.891 7.048 1.00 0.00 H new ATOM 8 N SER A 2 7.412 16.440 4.318 1.00 0.00 N ATOM 9 CA SER A 2 7.015 15.865 3.038 1.00 0.00 C ATOM 10 C SER A 2 8.217 15.721 2.110 1.00 0.00 C ATOM 11 O SER A 2 8.820 16.712 1.698 1.00 0.00 O ATOM 12 CB SER A 2 5.946 16.735 2.374 1.00 0.00 C ATOM 13 OG SER A 2 6.470 18.002 2.015 1.00 0.00 O ATOM 0 H SER A 2 7.230 17.440 4.406 1.00 0.00 H new ATOM 0 HA SER A 2 6.602 14.874 3.226 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.563 16.232 1.486 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.105 16.866 3.055 1.00 0.00 H new ATOM 0 HG SER A 2 7.443 17.938 1.916 1.00 0.00 H new ATOM 19 N SER A 3 8.561 14.478 1.786 1.00 0.00 N ATOM 20 CA SER A 3 9.693 14.202 0.910 1.00 0.00 C ATOM 21 C SER A 3 9.429 14.722 -0.500 1.00 0.00 C ATOM 22 O SER A 3 10.292 15.346 -1.115 1.00 0.00 O ATOM 23 CB SER A 3 9.977 12.699 0.867 1.00 0.00 C ATOM 24 OG SER A 3 8.915 11.997 0.245 1.00 0.00 O ATOM 0 H SER A 3 8.072 13.647 2.117 1.00 0.00 H new ATOM 0 HA SER A 3 10.565 14.718 1.311 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.905 12.516 0.325 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.121 12.324 1.880 1.00 0.00 H new ATOM 0 HG SER A 3 9.121 11.039 0.228 1.00 0.00 H new ATOM 30 N GLY A 4 8.228 14.458 -1.006 1.00 0.00 N ATOM 31 CA GLY A 4 7.870 14.906 -2.339 1.00 0.00 C ATOM 32 C GLY A 4 6.993 13.909 -3.069 1.00 0.00 C ATOM 33 O GLY A 4 5.842 13.691 -2.691 1.00 0.00 O ATOM 0 H GLY A 4 7.497 13.942 -0.517 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.350 15.861 -2.270 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.778 15.078 -2.917 1.00 0.00 H new ATOM 37 N SER A 5 7.536 13.302 -4.120 1.00 0.00 N ATOM 38 CA SER A 5 6.792 12.327 -4.909 1.00 0.00 C ATOM 39 C SER A 5 7.016 10.915 -4.377 1.00 0.00 C ATOM 40 O SER A 5 8.149 10.507 -4.124 1.00 0.00 O ATOM 41 CB SER A 5 7.210 12.403 -6.379 1.00 0.00 C ATOM 42 OG SER A 5 8.610 12.235 -6.520 1.00 0.00 O ATOM 0 H SER A 5 8.489 13.468 -4.445 1.00 0.00 H new ATOM 0 HA SER A 5 5.731 12.564 -4.828 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.689 11.634 -6.949 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.912 13.365 -6.796 1.00 0.00 H new ATOM 0 HG SER A 5 8.940 11.638 -5.816 1.00 0.00 H new ATOM 48 N SER A 6 5.925 10.173 -4.209 1.00 0.00 N ATOM 49 CA SER A 6 6.000 8.807 -3.704 1.00 0.00 C ATOM 50 C SER A 6 6.106 7.808 -4.852 1.00 0.00 C ATOM 51 O SER A 6 5.259 7.778 -5.744 1.00 0.00 O ATOM 52 CB SER A 6 4.772 8.489 -2.848 1.00 0.00 C ATOM 53 OG SER A 6 5.043 7.436 -1.940 1.00 0.00 O ATOM 0 H SER A 6 4.979 10.495 -4.415 1.00 0.00 H new ATOM 0 HA SER A 6 6.895 8.722 -3.088 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.468 9.379 -2.297 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.937 8.212 -3.492 1.00 0.00 H new ATOM 0 HG SER A 6 4.244 7.253 -1.403 1.00 0.00 H new ATOM 59 N GLY A 7 7.155 6.991 -4.822 1.00 0.00 N ATOM 60 CA GLY A 7 7.354 6.001 -5.865 1.00 0.00 C ATOM 61 C GLY A 7 8.373 4.948 -5.478 1.00 0.00 C ATOM 62 O GLY A 7 9.488 4.931 -6.000 1.00 0.00 O ATOM 0 H GLY A 7 7.870 6.997 -4.095 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.403 5.517 -6.089 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.680 6.500 -6.778 1.00 0.00 H new ATOM 66 N LEU A 8 7.992 4.068 -4.559 1.00 0.00 N ATOM 67 CA LEU A 8 8.881 3.007 -4.101 1.00 0.00 C ATOM 68 C LEU A 8 8.371 1.639 -4.544 1.00 0.00 C ATOM 69 O LEU A 8 7.338 1.533 -5.206 1.00 0.00 O ATOM 70 CB LEU A 8 9.012 3.046 -2.576 1.00 0.00 C ATOM 71 CG LEU A 8 7.710 2.818 -1.809 1.00 0.00 C ATOM 72 CD1 LEU A 8 7.343 1.343 -1.804 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.831 3.343 -0.386 1.00 0.00 C ATOM 0 H LEU A 8 7.073 4.068 -4.116 1.00 0.00 H new ATOM 0 HA LEU A 8 9.861 3.171 -4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.734 2.289 -2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.422 4.014 -2.286 1.00 0.00 H new ATOM 0 HG LEU A 8 6.914 3.367 -2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.413 1.201 -1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.214 0.997 -2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.139 0.772 -1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.895 3.172 0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.640 2.822 0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.045 4.411 -0.409 1.00 0.00 H new ATOM 85 N THR A 9 9.103 0.593 -4.174 1.00 0.00 N ATOM 86 CA THR A 9 8.727 -0.768 -4.534 1.00 0.00 C ATOM 87 C THR A 9 8.162 -1.519 -3.334 1.00 0.00 C ATOM 88 O THR A 9 8.591 -1.307 -2.199 1.00 0.00 O ATOM 89 CB THR A 9 9.927 -1.553 -5.098 1.00 0.00 C ATOM 90 OG1 THR A 9 9.520 -2.877 -5.461 1.00 0.00 O ATOM 91 CG2 THR A 9 11.053 -1.625 -4.078 1.00 0.00 C ATOM 0 H THR A 9 9.960 0.663 -3.625 1.00 0.00 H new ATOM 0 HA THR A 9 7.960 -0.689 -5.304 1.00 0.00 H new ATOM 0 HB THR A 9 10.291 -1.031 -5.983 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.288 -3.368 -5.820 1.00 0.00 H new ATOM 0 HG21 THR A 9 11.889 -2.184 -4.498 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.381 -0.616 -3.826 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.697 -2.127 -3.178 1.00 0.00 H new ATOM 99 N VAL A 10 7.199 -2.398 -3.590 1.00 0.00 N ATOM 100 CA VAL A 10 6.576 -3.181 -2.530 1.00 0.00 C ATOM 101 C VAL A 10 7.597 -3.579 -1.470 1.00 0.00 C ATOM 102 O VAL A 10 7.256 -3.765 -0.303 1.00 0.00 O ATOM 103 CB VAL A 10 5.911 -4.453 -3.089 1.00 0.00 C ATOM 104 CG1 VAL A 10 5.406 -5.333 -1.956 1.00 0.00 C ATOM 105 CG2 VAL A 10 4.778 -4.088 -4.037 1.00 0.00 C ATOM 0 H VAL A 10 6.833 -2.586 -4.523 1.00 0.00 H new ATOM 0 HA VAL A 10 5.812 -2.550 -2.077 1.00 0.00 H new ATOM 0 HB VAL A 10 6.657 -5.016 -3.650 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.939 -6.227 -2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.242 -5.622 -1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.674 -4.782 -1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.319 -4.998 -4.423 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.030 -3.503 -3.502 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.172 -3.501 -4.866 1.00 0.00 H new ATOM 115 N GLY A 11 8.854 -3.709 -1.885 1.00 0.00 N ATOM 116 CA GLY A 11 9.906 -4.085 -0.959 1.00 0.00 C ATOM 117 C GLY A 11 10.271 -2.960 -0.009 1.00 0.00 C ATOM 118 O GLY A 11 10.367 -3.167 1.201 1.00 0.00 O ATOM 0 H GLY A 11 9.162 -3.561 -2.846 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.586 -4.953 -0.383 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.791 -4.384 -1.521 1.00 0.00 H new ATOM 122 N ASP A 12 10.476 -1.768 -0.558 1.00 0.00 N ATOM 123 CA ASP A 12 10.833 -0.607 0.248 1.00 0.00 C ATOM 124 C ASP A 12 9.836 -0.408 1.386 1.00 0.00 C ATOM 125 O ASP A 12 10.193 -0.501 2.560 1.00 0.00 O ATOM 126 CB ASP A 12 10.888 0.649 -0.624 1.00 0.00 C ATOM 127 CG ASP A 12 12.273 0.905 -1.183 1.00 0.00 C ATOM 128 OD1 ASP A 12 12.833 -0.010 -1.822 1.00 0.00 O ATOM 129 OD2 ASP A 12 12.798 2.020 -0.982 1.00 0.00 O ATOM 0 H ASP A 12 10.401 -1.581 -1.558 1.00 0.00 H new ATOM 0 HA ASP A 12 11.818 -0.784 0.679 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.180 0.548 -1.447 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.572 1.510 -0.036 1.00 0.00 H new ATOM 134 N TRP A 13 8.587 -0.132 1.029 1.00 0.00 N ATOM 135 CA TRP A 13 7.539 0.081 2.021 1.00 0.00 C ATOM 136 C TRP A 13 7.513 -1.053 3.039 1.00 0.00 C ATOM 137 O TRP A 13 7.693 -0.830 4.236 1.00 0.00 O ATOM 138 CB TRP A 13 6.176 0.199 1.336 1.00 0.00 C ATOM 139 CG TRP A 13 5.077 -0.504 2.074 1.00 0.00 C ATOM 140 CD1 TRP A 13 4.590 -0.190 3.310 1.00 0.00 C ATOM 141 CD2 TRP A 13 4.332 -1.640 1.622 1.00 0.00 C ATOM 142 NE1 TRP A 13 3.585 -1.062 3.655 1.00 0.00 N ATOM 143 CE2 TRP A 13 3.407 -1.961 2.636 1.00 0.00 C ATOM 144 CE3 TRP A 13 4.353 -2.415 0.460 1.00 0.00 C ATOM 145 CZ2 TRP A 13 2.516 -3.024 2.521 1.00 0.00 C ATOM 146 CZ3 TRP A 13 3.468 -3.470 0.347 1.00 0.00 C ATOM 147 CH2 TRP A 13 2.559 -3.767 1.372 1.00 0.00 C ATOM 0 H TRP A 13 8.275 -0.050 0.061 1.00 0.00 H new ATOM 0 HA TRP A 13 7.756 1.011 2.547 1.00 0.00 H new ATOM 0 HB2 TRP A 13 5.919 1.253 1.234 1.00 0.00 H new ATOM 0 HB3 TRP A 13 6.247 -0.211 0.328 1.00 0.00 H new ATOM 0 HD1 TRP A 13 4.943 0.624 3.926 1.00 0.00 H new ATOM 0 HE1 TRP A 13 3.057 -1.043 4.528 1.00 0.00 H new ATOM 0 HE3 TRP A 13 5.049 -2.193 -0.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 1.816 -3.255 3.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 3.477 -4.076 -0.547 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.880 -4.598 1.253 1.00 0.00 H new ATOM 158 N LEU A 14 7.288 -2.271 2.556 1.00 0.00 N ATOM 159 CA LEU A 14 7.239 -3.441 3.425 1.00 0.00 C ATOM 160 C LEU A 14 8.434 -3.465 4.374 1.00 0.00 C ATOM 161 O LEU A 14 8.277 -3.646 5.581 1.00 0.00 O ATOM 162 CB LEU A 14 7.212 -4.722 2.588 1.00 0.00 C ATOM 163 CG LEU A 14 5.856 -5.061 1.969 1.00 0.00 C ATOM 164 CD1 LEU A 14 5.994 -6.201 0.972 1.00 0.00 C ATOM 165 CD2 LEU A 14 4.849 -5.417 3.052 1.00 0.00 C ATOM 0 H LEU A 14 7.137 -2.473 1.568 1.00 0.00 H new ATOM 0 HA LEU A 14 6.327 -3.383 4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.947 -4.631 1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.526 -5.555 3.216 1.00 0.00 H new ATOM 0 HG LEU A 14 5.492 -4.182 1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.019 -6.428 0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.682 -5.909 0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.381 -7.084 1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.890 -5.655 2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.207 -6.280 3.613 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.727 -4.571 3.728 1.00 0.00 H new ATOM 177 N ASP A 15 9.626 -3.281 3.818 1.00 0.00 N ATOM 178 CA ASP A 15 10.848 -3.280 4.614 1.00 0.00 C ATOM 179 C ASP A 15 10.706 -2.367 5.828 1.00 0.00 C ATOM 180 O ASP A 15 11.205 -2.675 6.910 1.00 0.00 O ATOM 181 CB ASP A 15 12.037 -2.833 3.761 1.00 0.00 C ATOM 182 CG ASP A 15 13.364 -3.299 4.328 1.00 0.00 C ATOM 183 OD1 ASP A 15 13.425 -4.439 4.836 1.00 0.00 O ATOM 184 OD2 ASP A 15 14.341 -2.525 4.263 1.00 0.00 O ATOM 0 H ASP A 15 9.772 -3.131 2.820 1.00 0.00 H new ATOM 0 HA ASP A 15 11.024 -4.297 4.965 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.921 -3.221 2.749 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.039 -1.746 3.687 1.00 0.00 H new ATOM 189 N SER A 16 10.022 -1.243 5.640 1.00 0.00 N ATOM 190 CA SER A 16 9.818 -0.283 6.718 1.00 0.00 C ATOM 191 C SER A 16 9.205 -0.960 7.940 1.00 0.00 C ATOM 192 O SER A 16 9.659 -0.760 9.067 1.00 0.00 O ATOM 193 CB SER A 16 8.916 0.860 6.248 1.00 0.00 C ATOM 194 OG SER A 16 8.950 1.945 7.159 1.00 0.00 O ATOM 0 H SER A 16 9.600 -0.975 4.751 1.00 0.00 H new ATOM 0 HA SER A 16 10.790 0.123 6.998 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.236 1.198 5.263 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.892 0.500 6.144 1.00 0.00 H new ATOM 0 HG SER A 16 8.367 2.663 6.835 1.00 0.00 H new ATOM 200 N ILE A 17 8.172 -1.762 7.707 1.00 0.00 N ATOM 201 CA ILE A 17 7.497 -2.471 8.788 1.00 0.00 C ATOM 202 C ILE A 17 8.101 -3.854 9.000 1.00 0.00 C ATOM 203 O ILE A 17 7.495 -4.717 9.635 1.00 0.00 O ATOM 204 CB ILE A 17 5.989 -2.618 8.509 1.00 0.00 C ATOM 205 CG1 ILE A 17 5.762 -3.435 7.235 1.00 0.00 C ATOM 206 CG2 ILE A 17 5.336 -1.249 8.390 1.00 0.00 C ATOM 207 CD1 ILE A 17 4.306 -3.751 6.972 1.00 0.00 C ATOM 0 H ILE A 17 7.784 -1.937 6.780 1.00 0.00 H new ATOM 0 HA ILE A 17 7.635 -1.876 9.691 1.00 0.00 H new ATOM 0 HB ILE A 17 5.530 -3.146 9.344 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.166 -2.886 6.384 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.321 -4.368 7.307 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.271 -1.370 8.193 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.473 -0.699 9.321 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.796 -0.696 7.571 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.220 -4.332 6.054 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.902 -4.327 7.805 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.745 -2.822 6.868 1.00 0.00 H new ATOM 219 N ARG A 18 9.300 -4.059 8.465 1.00 0.00 N ATOM 220 CA ARG A 18 9.987 -5.338 8.596 1.00 0.00 C ATOM 221 C ARG A 18 9.200 -6.451 7.909 1.00 0.00 C ATOM 222 O ARG A 18 9.234 -7.603 8.339 1.00 0.00 O ATOM 223 CB ARG A 18 10.194 -5.681 10.072 1.00 0.00 C ATOM 224 CG ARG A 18 11.022 -4.653 10.826 1.00 0.00 C ATOM 225 CD ARG A 18 10.908 -4.841 12.331 1.00 0.00 C ATOM 226 NE ARG A 18 9.600 -4.429 12.836 1.00 0.00 N ATOM 227 CZ ARG A 18 9.277 -3.168 13.097 1.00 0.00 C ATOM 228 NH1 ARG A 18 10.162 -2.199 12.902 1.00 0.00 N ATOM 229 NH2 ARG A 18 8.067 -2.872 13.555 1.00 0.00 N ATOM 0 H ARG A 18 9.816 -3.355 7.937 1.00 0.00 H new ATOM 0 HA ARG A 18 10.959 -5.251 8.111 1.00 0.00 H new ATOM 0 HB2 ARG A 18 9.221 -5.776 10.554 1.00 0.00 H new ATOM 0 HB3 ARG A 18 10.682 -6.653 10.145 1.00 0.00 H new ATOM 0 HG2 ARG A 18 12.067 -4.735 10.526 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.691 -3.650 10.557 1.00 0.00 H new ATOM 0 HD2 ARG A 18 11.079 -5.888 12.580 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.687 -4.264 12.829 1.00 0.00 H new ATOM 0 HE ARG A 18 8.897 -5.150 12.997 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.093 -2.422 12.551 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.911 -1.231 13.103 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.384 -3.614 13.707 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.820 -1.903 13.755 1.00 0.00 H new ATOM 243 N MET A 19 8.493 -6.096 6.841 1.00 0.00 N ATOM 244 CA MET A 19 7.699 -7.065 6.096 1.00 0.00 C ATOM 245 C MET A 19 8.235 -7.232 4.678 1.00 0.00 C ATOM 246 O MET A 19 7.703 -8.013 3.890 1.00 0.00 O ATOM 247 CB MET A 19 6.233 -6.628 6.051 1.00 0.00 C ATOM 248 CG MET A 19 5.541 -6.681 7.403 1.00 0.00 C ATOM 249 SD MET A 19 5.235 -8.368 7.961 1.00 0.00 S ATOM 250 CE MET A 19 6.277 -8.438 9.416 1.00 0.00 C ATOM 0 H MET A 19 8.454 -5.146 6.473 1.00 0.00 H new ATOM 0 HA MET A 19 7.769 -8.025 6.608 1.00 0.00 H new ATOM 0 HB2 MET A 19 6.177 -5.611 5.663 1.00 0.00 H new ATOM 0 HB3 MET A 19 5.694 -7.266 5.351 1.00 0.00 H new ATOM 0 HG2 MET A 19 6.154 -6.164 8.141 1.00 0.00 H new ATOM 0 HG3 MET A 19 4.594 -6.145 7.343 1.00 0.00 H new ATOM 0 HE1 MET A 19 6.848 -9.366 9.410 1.00 0.00 H new ATOM 0 HE2 MET A 19 6.962 -7.590 9.414 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.656 -8.400 10.311 1.00 0.00 H new ATOM 260 N GLY A 20 9.294 -6.493 4.359 1.00 0.00 N ATOM 261 CA GLY A 20 9.884 -6.574 3.036 1.00 0.00 C ATOM 262 C GLY A 20 10.210 -7.998 2.633 1.00 0.00 C ATOM 263 O GLY A 20 10.466 -8.276 1.461 1.00 0.00 O ATOM 0 H GLY A 20 9.753 -5.840 4.994 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.197 -6.142 2.308 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.794 -5.975 3.010 1.00 0.00 H new ATOM 267 N ARG A 21 10.202 -8.904 3.606 1.00 0.00 N ATOM 268 CA ARG A 21 10.502 -10.307 3.346 1.00 0.00 C ATOM 269 C ARG A 21 9.391 -10.958 2.528 1.00 0.00 C ATOM 270 O ARG A 21 9.622 -11.934 1.814 1.00 0.00 O ATOM 271 CB ARG A 21 10.690 -11.062 4.663 1.00 0.00 C ATOM 272 CG ARG A 21 9.386 -11.369 5.381 1.00 0.00 C ATOM 273 CD ARG A 21 9.546 -12.523 6.358 1.00 0.00 C ATOM 274 NE ARG A 21 9.301 -13.815 5.724 1.00 0.00 N ATOM 275 CZ ARG A 21 9.789 -14.963 6.182 1.00 0.00 C ATOM 276 NH1 ARG A 21 10.544 -14.978 7.272 1.00 0.00 N ATOM 277 NH2 ARG A 21 9.523 -16.098 5.549 1.00 0.00 N ATOM 0 H ARG A 21 9.991 -8.691 4.581 1.00 0.00 H new ATOM 0 HA ARG A 21 11.427 -10.355 2.772 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.214 -11.997 4.464 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.328 -10.473 5.322 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.047 -10.482 5.916 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.616 -11.614 4.650 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.553 -12.509 6.774 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.855 -12.391 7.191 1.00 0.00 H new ATOM 0 HE ARG A 21 8.724 -13.838 4.883 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.751 -14.107 7.761 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.917 -15.860 7.622 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.943 -16.090 4.710 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.898 -16.979 5.901 1.00 0.00 H new ATOM 291 N TYR A 22 8.185 -10.412 2.638 1.00 0.00 N ATOM 292 CA TYR A 22 7.037 -10.941 1.911 1.00 0.00 C ATOM 293 C TYR A 22 6.859 -10.223 0.577 1.00 0.00 C ATOM 294 O TYR A 22 6.024 -10.609 -0.242 1.00 0.00 O ATOM 295 CB TYR A 22 5.767 -10.802 2.751 1.00 0.00 C ATOM 296 CG TYR A 22 5.668 -11.813 3.871 1.00 0.00 C ATOM 297 CD1 TYR A 22 5.569 -13.172 3.600 1.00 0.00 C ATOM 298 CD2 TYR A 22 5.673 -11.409 5.201 1.00 0.00 C ATOM 299 CE1 TYR A 22 5.478 -14.099 4.620 1.00 0.00 C ATOM 300 CE2 TYR A 22 5.584 -12.329 6.227 1.00 0.00 C ATOM 301 CZ TYR A 22 5.486 -13.673 5.932 1.00 0.00 C ATOM 302 OH TYR A 22 5.396 -14.593 6.952 1.00 0.00 O ATOM 0 H TYR A 22 7.977 -9.603 3.224 1.00 0.00 H new ATOM 0 HA TYR A 22 7.220 -11.997 1.713 1.00 0.00 H new ATOM 0 HB2 TYR A 22 5.730 -9.798 3.175 1.00 0.00 H new ATOM 0 HB3 TYR A 22 4.898 -10.906 2.101 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.563 -13.509 2.574 1.00 0.00 H new ATOM 0 HD2 TYR A 22 5.748 -10.358 5.436 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.401 -15.152 4.392 1.00 0.00 H new ATOM 0 HE2 TYR A 22 5.591 -11.998 7.255 1.00 0.00 H new ATOM 0 HH TYR A 22 5.208 -14.130 7.795 1.00 0.00 H new ATOM 312 N ARG A 23 7.651 -9.177 0.365 1.00 0.00 N ATOM 313 CA ARG A 23 7.581 -8.404 -0.869 1.00 0.00 C ATOM 314 C ARG A 23 7.468 -9.324 -2.081 1.00 0.00 C ATOM 315 O ARG A 23 6.593 -9.145 -2.929 1.00 0.00 O ATOM 316 CB ARG A 23 8.816 -7.511 -1.007 1.00 0.00 C ATOM 317 CG ARG A 23 10.065 -8.261 -1.442 1.00 0.00 C ATOM 318 CD ARG A 23 11.291 -7.362 -1.420 1.00 0.00 C ATOM 319 NE ARG A 23 11.497 -6.687 -2.699 1.00 0.00 N ATOM 320 CZ ARG A 23 11.742 -7.328 -3.836 1.00 0.00 C ATOM 321 NH1 ARG A 23 11.811 -8.652 -3.854 1.00 0.00 N ATOM 322 NH2 ARG A 23 11.919 -6.644 -4.960 1.00 0.00 N ATOM 0 H ARG A 23 8.348 -8.846 1.032 1.00 0.00 H new ATOM 0 HA ARG A 23 6.690 -7.777 -0.826 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.605 -6.723 -1.730 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.010 -7.023 -0.052 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.226 -9.114 -0.783 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.921 -8.657 -2.447 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.181 -6.618 -0.631 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.172 -7.956 -1.177 1.00 0.00 H new ATOM 0 HE ARG A 23 11.450 -5.668 -2.720 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.676 -9.181 -2.993 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.999 -9.141 -4.729 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.867 -5.625 -4.951 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.107 -7.137 -5.833 1.00 0.00 H new ATOM 336 N ASP A 24 8.358 -10.307 -2.157 1.00 0.00 N ATOM 337 CA ASP A 24 8.357 -11.255 -3.265 1.00 0.00 C ATOM 338 C ASP A 24 6.963 -11.837 -3.482 1.00 0.00 C ATOM 339 O ASP A 24 6.559 -12.099 -4.615 1.00 0.00 O ATOM 340 CB ASP A 24 9.357 -12.382 -3.000 1.00 0.00 C ATOM 341 CG ASP A 24 9.967 -12.927 -4.277 1.00 0.00 C ATOM 342 OD1 ASP A 24 9.275 -12.916 -5.316 1.00 0.00 O ATOM 343 OD2 ASP A 24 11.136 -13.365 -4.237 1.00 0.00 O ATOM 0 H ASP A 24 9.089 -10.468 -1.465 1.00 0.00 H new ATOM 0 HA ASP A 24 8.653 -10.721 -4.168 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.151 -12.014 -2.350 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.856 -13.190 -2.466 1.00 0.00 H new ATOM 348 N HIS A 25 6.234 -12.036 -2.389 1.00 0.00 N ATOM 349 CA HIS A 25 4.885 -12.586 -2.460 1.00 0.00 C ATOM 350 C HIS A 25 3.961 -11.660 -3.244 1.00 0.00 C ATOM 351 O HIS A 25 3.349 -12.067 -4.232 1.00 0.00 O ATOM 352 CB HIS A 25 4.328 -12.811 -1.054 1.00 0.00 C ATOM 353 CG HIS A 25 5.178 -13.709 -0.209 1.00 0.00 C ATOM 354 ND1 HIS A 25 4.713 -14.882 0.347 1.00 0.00 N ATOM 355 CD2 HIS A 25 6.473 -13.601 0.172 1.00 0.00 C ATOM 356 CE1 HIS A 25 5.684 -15.456 1.035 1.00 0.00 C ATOM 357 NE2 HIS A 25 6.762 -14.699 0.944 1.00 0.00 N ATOM 0 H HIS A 25 6.554 -11.825 -1.444 1.00 0.00 H new ATOM 0 HA HIS A 25 4.937 -13.543 -2.979 1.00 0.00 H new ATOM 0 HB2 HIS A 25 4.224 -11.848 -0.555 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.328 -13.239 -1.132 1.00 0.00 H new ATOM 0 HD1 HIS A 25 3.767 -15.249 0.243 1.00 0.00 H new ATOM 0 HD2 HIS A 25 7.152 -12.801 -0.084 1.00 0.00 H new ATOM 0 HE1 HIS A 25 5.609 -16.386 1.579 1.00 0.00 H new ATOM 366 N PHE A 26 3.863 -10.412 -2.797 1.00 0.00 N ATOM 367 CA PHE A 26 3.011 -9.429 -3.456 1.00 0.00 C ATOM 368 C PHE A 26 3.215 -9.458 -4.968 1.00 0.00 C ATOM 369 O PHE A 26 2.254 -9.510 -5.733 1.00 0.00 O ATOM 370 CB PHE A 26 3.305 -8.027 -2.918 1.00 0.00 C ATOM 371 CG PHE A 26 2.548 -7.695 -1.664 1.00 0.00 C ATOM 372 CD1 PHE A 26 3.023 -8.094 -0.425 1.00 0.00 C ATOM 373 CD2 PHE A 26 1.360 -6.985 -1.724 1.00 0.00 C ATOM 374 CE1 PHE A 26 2.329 -7.790 0.731 1.00 0.00 C ATOM 375 CE2 PHE A 26 0.661 -6.678 -0.571 1.00 0.00 C ATOM 376 CZ PHE A 26 1.146 -7.082 0.657 1.00 0.00 C ATOM 0 H PHE A 26 4.363 -10.058 -1.981 1.00 0.00 H new ATOM 0 HA PHE A 26 1.973 -9.684 -3.242 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.374 -7.939 -2.722 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.060 -7.293 -3.686 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.947 -8.649 -0.362 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.975 -6.668 -2.682 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.711 -8.106 1.690 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.263 -6.123 -0.631 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.601 -6.844 1.558 1.00 0.00 H new ATOM 386 N ALA A 27 4.475 -9.424 -5.390 1.00 0.00 N ATOM 387 CA ALA A 27 4.806 -9.448 -6.809 1.00 0.00 C ATOM 388 C ALA A 27 4.197 -10.667 -7.494 1.00 0.00 C ATOM 389 O ALA A 27 3.785 -10.599 -8.651 1.00 0.00 O ATOM 390 CB ALA A 27 6.316 -9.433 -6.999 1.00 0.00 C ATOM 0 H ALA A 27 5.283 -9.380 -4.769 1.00 0.00 H new ATOM 0 HA ALA A 27 4.384 -8.555 -7.271 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.549 -9.451 -8.064 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.730 -8.529 -6.552 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.752 -10.308 -6.517 1.00 0.00 H new ATOM 396 N ALA A 28 4.145 -11.781 -6.772 1.00 0.00 N ATOM 397 CA ALA A 28 3.585 -13.015 -7.310 1.00 0.00 C ATOM 398 C ALA A 28 2.065 -12.935 -7.397 1.00 0.00 C ATOM 399 O ALA A 28 1.454 -13.510 -8.297 1.00 0.00 O ATOM 400 CB ALA A 28 4.005 -14.202 -6.456 1.00 0.00 C ATOM 0 H ALA A 28 4.484 -11.855 -5.813 1.00 0.00 H new ATOM 0 HA ALA A 28 3.974 -13.152 -8.319 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.580 -15.116 -6.870 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.092 -14.278 -6.449 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.644 -14.063 -5.437 1.00 0.00 H new ATOM 406 N GLY A 29 1.459 -12.220 -6.454 1.00 0.00 N ATOM 407 CA GLY A 29 0.014 -12.079 -6.442 1.00 0.00 C ATOM 408 C GLY A 29 -0.473 -11.023 -7.414 1.00 0.00 C ATOM 409 O GLY A 29 -1.662 -10.709 -7.455 1.00 0.00 O ATOM 0 H GLY A 29 1.943 -11.736 -5.698 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.444 -13.036 -6.691 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.315 -11.821 -5.435 1.00 0.00 H new ATOM 413 N GLY A 30 0.448 -10.472 -8.199 1.00 0.00 N ATOM 414 CA GLY A 30 0.086 -9.450 -9.163 1.00 0.00 C ATOM 415 C GLY A 30 0.294 -8.047 -8.627 1.00 0.00 C ATOM 416 O GLY A 30 -0.199 -7.076 -9.201 1.00 0.00 O ATOM 0 H GLY A 30 1.438 -10.715 -8.184 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.680 -9.582 -10.068 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.959 -9.576 -9.446 1.00 0.00 H new ATOM 420 N TYR A 31 1.024 -7.941 -7.522 1.00 0.00 N ATOM 421 CA TYR A 31 1.293 -6.647 -6.906 1.00 0.00 C ATOM 422 C TYR A 31 2.794 -6.396 -6.799 1.00 0.00 C ATOM 423 O TYR A 31 3.458 -6.907 -5.897 1.00 0.00 O ATOM 424 CB TYR A 31 0.652 -6.577 -5.519 1.00 0.00 C ATOM 425 CG TYR A 31 -0.832 -6.865 -5.522 1.00 0.00 C ATOM 426 CD1 TYR A 31 -1.757 -5.846 -5.710 1.00 0.00 C ATOM 427 CD2 TYR A 31 -1.309 -8.157 -5.335 1.00 0.00 C ATOM 428 CE1 TYR A 31 -3.114 -6.105 -5.713 1.00 0.00 C ATOM 429 CE2 TYR A 31 -2.664 -8.425 -5.338 1.00 0.00 C ATOM 430 CZ TYR A 31 -3.562 -7.396 -5.527 1.00 0.00 C ATOM 431 OH TYR A 31 -4.913 -7.659 -5.529 1.00 0.00 O ATOM 0 H TYR A 31 1.440 -8.735 -7.035 1.00 0.00 H new ATOM 0 HA TYR A 31 0.859 -5.874 -7.539 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.150 -7.289 -4.861 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.820 -5.585 -5.100 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -1.409 -4.834 -5.856 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.608 -8.965 -5.185 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.820 -5.301 -5.860 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.018 -9.435 -5.193 1.00 0.00 H new ATOM 0 HH TYR A 31 -5.260 -7.595 -4.615 1.00 0.00 H new ATOM 441 N SER A 32 3.322 -5.603 -7.726 1.00 0.00 N ATOM 442 CA SER A 32 4.745 -5.285 -7.739 1.00 0.00 C ATOM 443 C SER A 32 4.979 -3.822 -7.375 1.00 0.00 C ATOM 444 O SER A 32 6.114 -3.397 -7.162 1.00 0.00 O ATOM 445 CB SER A 32 5.343 -5.582 -9.115 1.00 0.00 C ATOM 446 OG SER A 32 5.426 -6.978 -9.345 1.00 0.00 O ATOM 0 H SER A 32 2.786 -5.169 -8.477 1.00 0.00 H new ATOM 0 HA SER A 32 5.238 -5.910 -6.994 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.731 -5.119 -9.889 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.336 -5.139 -9.187 1.00 0.00 H new ATOM 0 HG SER A 32 5.810 -7.141 -10.232 1.00 0.00 H new ATOM 452 N SER A 33 3.895 -3.056 -7.307 1.00 0.00 N ATOM 453 CA SER A 33 3.980 -1.639 -6.973 1.00 0.00 C ATOM 454 C SER A 33 3.118 -1.315 -5.756 1.00 0.00 C ATOM 455 O SER A 33 2.319 -2.138 -5.310 1.00 0.00 O ATOM 456 CB SER A 33 3.541 -0.785 -8.164 1.00 0.00 C ATOM 457 OG SER A 33 4.191 -1.198 -9.354 1.00 0.00 O ATOM 0 H SER A 33 2.948 -3.393 -7.479 1.00 0.00 H new ATOM 0 HA SER A 33 5.018 -1.410 -6.733 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.461 -0.860 -8.291 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.767 0.263 -7.967 1.00 0.00 H new ATOM 0 HG SER A 33 3.893 -0.638 -10.101 1.00 0.00 H new ATOM 463 N LEU A 34 3.287 -0.109 -5.223 1.00 0.00 N ATOM 464 CA LEU A 34 2.526 0.326 -4.058 1.00 0.00 C ATOM 465 C LEU A 34 1.112 0.737 -4.454 1.00 0.00 C ATOM 466 O LEU A 34 0.139 0.370 -3.796 1.00 0.00 O ATOM 467 CB LEU A 34 3.235 1.492 -3.367 1.00 0.00 C ATOM 468 CG LEU A 34 4.297 1.090 -2.344 1.00 0.00 C ATOM 469 CD1 LEU A 34 3.698 1.026 -0.948 1.00 0.00 C ATOM 470 CD2 LEU A 34 4.919 -0.246 -2.720 1.00 0.00 C ATOM 0 H LEU A 34 3.945 0.584 -5.580 1.00 0.00 H new ATOM 0 HA LEU A 34 2.460 -0.512 -3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.704 2.115 -4.129 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.487 2.108 -2.868 1.00 0.00 H new ATOM 0 HG LEU A 34 5.081 1.848 -2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.470 0.738 -0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.300 2.004 -0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.894 0.290 -0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.673 -0.517 -1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.145 -1.013 -2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.385 -0.167 -3.702 1.00 0.00 H new ATOM 482 N GLY A 35 1.005 1.502 -5.537 1.00 0.00 N ATOM 483 CA GLY A 35 -0.293 1.951 -6.003 1.00 0.00 C ATOM 484 C GLY A 35 -1.325 0.841 -6.004 1.00 0.00 C ATOM 485 O GLY A 35 -2.453 1.032 -5.551 1.00 0.00 O ATOM 0 H GLY A 35 1.795 1.818 -6.099 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.641 2.766 -5.368 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.195 2.352 -7.012 1.00 0.00 H new ATOM 489 N MET A 36 -0.939 -0.323 -6.517 1.00 0.00 N ATOM 490 CA MET A 36 -1.840 -1.468 -6.576 1.00 0.00 C ATOM 491 C MET A 36 -1.974 -2.125 -5.206 1.00 0.00 C ATOM 492 O MET A 36 -2.956 -2.814 -4.931 1.00 0.00 O ATOM 493 CB MET A 36 -1.334 -2.490 -7.597 1.00 0.00 C ATOM 494 CG MET A 36 0.089 -2.957 -7.335 1.00 0.00 C ATOM 495 SD MET A 36 0.879 -3.633 -8.808 1.00 0.00 S ATOM 496 CE MET A 36 0.505 -2.358 -10.009 1.00 0.00 C ATOM 0 H MET A 36 -0.009 -0.498 -6.898 1.00 0.00 H new ATOM 0 HA MET A 36 -2.822 -1.111 -6.886 1.00 0.00 H new ATOM 0 HB2 MET A 36 -1.998 -3.354 -7.593 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.386 -2.052 -8.594 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.679 -2.120 -6.962 1.00 0.00 H new ATOM 0 HG3 MET A 36 0.080 -3.715 -6.552 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.208 -2.423 -10.839 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.510 -2.495 -10.381 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.589 -1.379 -9.538 1.00 0.00 H new ATOM 506 N VAL A 37 -0.981 -1.907 -4.350 1.00 0.00 N ATOM 507 CA VAL A 37 -0.990 -2.477 -3.008 1.00 0.00 C ATOM 508 C VAL A 37 -1.918 -1.695 -2.085 1.00 0.00 C ATOM 509 O VAL A 37 -2.483 -2.249 -1.142 1.00 0.00 O ATOM 510 CB VAL A 37 0.424 -2.497 -2.398 1.00 0.00 C ATOM 511 CG1 VAL A 37 0.351 -2.631 -0.884 1.00 0.00 C ATOM 512 CG2 VAL A 37 1.248 -3.625 -3.001 1.00 0.00 C ATOM 0 H VAL A 37 -0.160 -1.340 -4.562 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.353 -3.501 -3.101 1.00 0.00 H new ATOM 0 HB VAL A 37 0.915 -1.553 -2.632 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.360 -2.643 -0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.200 -1.787 -0.470 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.159 -3.559 -0.625 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.244 -3.624 -2.559 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.762 -4.579 -2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.329 -3.480 -4.078 1.00 0.00 H new ATOM 522 N LEU A 38 -2.072 -0.405 -2.363 1.00 0.00 N ATOM 523 CA LEU A 38 -2.933 0.454 -1.558 1.00 0.00 C ATOM 524 C LEU A 38 -4.400 0.081 -1.744 1.00 0.00 C ATOM 525 O LEU A 38 -5.237 0.365 -0.887 1.00 0.00 O ATOM 526 CB LEU A 38 -2.715 1.922 -1.931 1.00 0.00 C ATOM 527 CG LEU A 38 -1.654 2.649 -1.106 1.00 0.00 C ATOM 528 CD1 LEU A 38 -0.398 1.800 -0.983 1.00 0.00 C ATOM 529 CD2 LEU A 38 -1.327 3.998 -1.728 1.00 0.00 C ATOM 0 H LEU A 38 -1.612 0.069 -3.140 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.671 0.310 -0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.435 1.976 -2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.662 2.452 -1.825 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.053 2.818 -0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.346 2.334 -0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.642 0.858 -0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.004 1.599 -1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.570 4.502 -1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.949 3.850 -2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.228 4.610 -1.764 1.00 0.00 H new ATOM 541 N ARG A 39 -4.705 -0.556 -2.870 1.00 0.00 N ATOM 542 CA ARG A 39 -6.071 -0.966 -3.170 1.00 0.00 C ATOM 543 C ARG A 39 -6.291 -2.431 -2.803 1.00 0.00 C ATOM 544 O ARG A 39 -7.267 -3.048 -3.231 1.00 0.00 O ATOM 545 CB ARG A 39 -6.378 -0.748 -4.652 1.00 0.00 C ATOM 546 CG ARG A 39 -5.578 -1.650 -5.579 1.00 0.00 C ATOM 547 CD ARG A 39 -6.025 -1.500 -7.024 1.00 0.00 C ATOM 548 NE ARG A 39 -5.329 -0.410 -7.703 1.00 0.00 N ATOM 549 CZ ARG A 39 -5.168 -0.348 -9.020 1.00 0.00 C ATOM 550 NH1 ARG A 39 -5.650 -1.308 -9.796 1.00 0.00 N ATOM 551 NH2 ARG A 39 -4.523 0.677 -9.563 1.00 0.00 N ATOM 0 H ARG A 39 -4.024 -0.799 -3.589 1.00 0.00 H new ATOM 0 HA ARG A 39 -6.747 -0.354 -2.573 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.441 -0.917 -4.823 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.176 0.292 -4.907 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.518 -1.409 -5.498 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.693 -2.688 -5.267 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.845 -2.433 -7.558 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.099 -1.318 -7.054 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.946 0.345 -7.135 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.146 -2.097 -9.382 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.525 -1.258 -10.807 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.151 1.418 -8.969 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.400 0.724 -10.574 1.00 0.00 H new ATOM 565 N MET A 40 -5.378 -2.981 -2.010 1.00 0.00 N ATOM 566 CA MET A 40 -5.473 -4.374 -1.586 1.00 0.00 C ATOM 567 C MET A 40 -6.163 -4.483 -0.230 1.00 0.00 C ATOM 568 O MET A 40 -6.442 -3.475 0.417 1.00 0.00 O ATOM 569 CB MET A 40 -4.081 -5.004 -1.516 1.00 0.00 C ATOM 570 CG MET A 40 -3.604 -5.573 -2.842 1.00 0.00 C ATOM 571 SD MET A 40 -1.950 -6.284 -2.738 1.00 0.00 S ATOM 572 CE MET A 40 -2.193 -7.523 -1.468 1.00 0.00 C ATOM 0 H MET A 40 -4.564 -2.484 -1.648 1.00 0.00 H new ATOM 0 HA MET A 40 -6.070 -4.912 -2.322 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.368 -4.253 -1.175 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.088 -5.799 -0.770 1.00 0.00 H new ATOM 0 HG2 MET A 40 -4.304 -6.338 -3.177 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.610 -4.784 -3.594 1.00 0.00 H new ATOM 0 HE1 MET A 40 -1.228 -7.811 -1.051 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.823 -7.115 -0.677 1.00 0.00 H new ATOM 0 HE3 MET A 40 -2.677 -8.398 -1.901 1.00 0.00 H new ATOM 582 N ASN A 41 -6.435 -5.713 0.193 1.00 0.00 N ATOM 583 CA ASN A 41 -7.093 -5.953 1.472 1.00 0.00 C ATOM 584 C ASN A 41 -6.760 -7.344 2.002 1.00 0.00 C ATOM 585 O ASN A 41 -6.236 -8.188 1.276 1.00 0.00 O ATOM 586 CB ASN A 41 -8.609 -5.801 1.326 1.00 0.00 C ATOM 587 CG ASN A 41 -8.999 -4.472 0.708 1.00 0.00 C ATOM 588 OD1 ASN A 41 -8.746 -3.411 1.279 1.00 0.00 O ATOM 589 ND2 ASN A 41 -9.620 -4.525 -0.465 1.00 0.00 N ATOM 0 H ASN A 41 -6.210 -6.559 -0.331 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.727 -5.214 2.185 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.995 -6.613 0.710 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -9.077 -5.894 2.306 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.908 -3.663 -0.929 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.809 -5.427 -0.902 1.00 0.00 H new ATOM 596 N ALA A 42 -7.069 -7.576 3.274 1.00 0.00 N ATOM 597 CA ALA A 42 -6.804 -8.865 3.902 1.00 0.00 C ATOM 598 C ALA A 42 -6.972 -10.006 2.904 1.00 0.00 C ATOM 599 O ALA A 42 -6.110 -10.877 2.794 1.00 0.00 O ATOM 600 CB ALA A 42 -7.723 -9.068 5.098 1.00 0.00 C ATOM 0 H ALA A 42 -7.503 -6.888 3.890 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.770 -8.868 4.247 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.514 -10.034 5.557 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.552 -8.275 5.827 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.761 -9.040 4.768 1.00 0.00 H new ATOM 606 N GLN A 43 -8.086 -9.994 2.180 1.00 0.00 N ATOM 607 CA GLN A 43 -8.366 -11.029 1.192 1.00 0.00 C ATOM 608 C GLN A 43 -7.213 -11.164 0.203 1.00 0.00 C ATOM 609 O GLN A 43 -6.790 -12.273 -0.124 1.00 0.00 O ATOM 610 CB GLN A 43 -9.662 -10.712 0.443 1.00 0.00 C ATOM 611 CG GLN A 43 -10.868 -10.552 1.354 1.00 0.00 C ATOM 612 CD GLN A 43 -11.365 -11.875 1.903 1.00 0.00 C ATOM 613 OE1 GLN A 43 -11.372 -12.888 1.202 1.00 0.00 O ATOM 614 NE2 GLN A 43 -11.784 -11.874 3.163 1.00 0.00 N ATOM 0 H GLN A 43 -8.809 -9.279 2.259 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.482 -11.976 1.718 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.526 -9.795 -0.130 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -9.862 -11.509 -0.274 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -10.607 -9.894 2.183 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.673 -10.066 0.803 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -11.761 -11.012 3.708 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -12.129 -12.735 3.586 1.00 0.00 H new ATOM 623 N ASP A 44 -6.710 -10.029 -0.270 1.00 0.00 N ATOM 624 CA ASP A 44 -5.605 -10.021 -1.222 1.00 0.00 C ATOM 625 C ASP A 44 -4.297 -10.407 -0.539 1.00 0.00 C ATOM 626 O ASP A 44 -3.666 -11.401 -0.900 1.00 0.00 O ATOM 627 CB ASP A 44 -5.470 -8.640 -1.866 1.00 0.00 C ATOM 628 CG ASP A 44 -6.775 -8.149 -2.461 1.00 0.00 C ATOM 629 OD1 ASP A 44 -7.832 -8.366 -1.833 1.00 0.00 O ATOM 630 OD2 ASP A 44 -6.739 -7.547 -3.555 1.00 0.00 O ATOM 0 H ASP A 44 -7.050 -9.103 -0.010 1.00 0.00 H new ATOM 0 HA ASP A 44 -5.820 -10.756 -1.998 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.123 -7.926 -1.119 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.710 -8.679 -2.646 1.00 0.00 H new ATOM 635 N VAL A 45 -3.894 -9.615 0.449 1.00 0.00 N ATOM 636 CA VAL A 45 -2.661 -9.874 1.183 1.00 0.00 C ATOM 637 C VAL A 45 -2.575 -11.333 1.615 1.00 0.00 C ATOM 638 O VAL A 45 -1.586 -12.014 1.343 1.00 0.00 O ATOM 639 CB VAL A 45 -2.549 -8.974 2.428 1.00 0.00 C ATOM 640 CG1 VAL A 45 -1.331 -9.356 3.255 1.00 0.00 C ATOM 641 CG2 VAL A 45 -2.491 -7.509 2.023 1.00 0.00 C ATOM 0 H VAL A 45 -4.404 -8.788 0.760 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.837 -9.649 0.506 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.437 -9.122 3.043 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.268 -8.710 4.130 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.420 -10.394 3.576 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.431 -9.239 2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.412 -6.888 2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.622 -7.342 1.386 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.397 -7.246 1.477 1.00 0.00 H new ATOM 651 N ARG A 46 -3.617 -11.808 2.289 1.00 0.00 N ATOM 652 CA ARG A 46 -3.659 -13.187 2.759 1.00 0.00 C ATOM 653 C ARG A 46 -3.263 -14.153 1.647 1.00 0.00 C ATOM 654 O ARG A 46 -2.483 -15.080 1.865 1.00 0.00 O ATOM 655 CB ARG A 46 -5.059 -13.531 3.273 1.00 0.00 C ATOM 656 CG ARG A 46 -5.094 -14.756 4.171 1.00 0.00 C ATOM 657 CD ARG A 46 -4.539 -15.982 3.463 1.00 0.00 C ATOM 658 NE ARG A 46 -5.107 -17.221 3.987 1.00 0.00 N ATOM 659 CZ ARG A 46 -6.341 -17.635 3.721 1.00 0.00 C ATOM 660 NH1 ARG A 46 -7.132 -16.912 2.940 1.00 0.00 N ATOM 661 NH2 ARG A 46 -6.785 -18.774 4.236 1.00 0.00 N ATOM 0 H ARG A 46 -4.444 -11.258 2.522 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.944 -13.288 3.576 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.455 -12.677 3.822 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.719 -13.696 2.421 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.515 -14.563 5.074 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.120 -14.949 4.485 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.749 -15.910 2.396 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.455 -16.005 3.574 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.524 -17.801 4.591 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.793 -16.036 2.542 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.079 -17.232 2.737 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.179 -19.333 4.837 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.733 -19.091 4.031 1.00 0.00 H new ATOM 675 N ALA A 47 -3.806 -13.930 0.455 1.00 0.00 N ATOM 676 CA ALA A 47 -3.508 -14.779 -0.692 1.00 0.00 C ATOM 677 C ALA A 47 -2.007 -14.838 -0.956 1.00 0.00 C ATOM 678 O ALA A 47 -1.487 -15.855 -1.414 1.00 0.00 O ATOM 679 CB ALA A 47 -4.244 -14.278 -1.926 1.00 0.00 C ATOM 0 H ALA A 47 -4.455 -13.168 0.258 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.850 -15.788 -0.464 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.012 -14.922 -2.774 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.318 -14.295 -1.741 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.930 -13.258 -2.148 1.00 0.00 H new ATOM 685 N LEU A 48 -1.317 -13.741 -0.666 1.00 0.00 N ATOM 686 CA LEU A 48 0.125 -13.667 -0.873 1.00 0.00 C ATOM 687 C LEU A 48 0.854 -14.676 0.009 1.00 0.00 C ATOM 688 O LEU A 48 1.977 -15.080 -0.289 1.00 0.00 O ATOM 689 CB LEU A 48 0.632 -12.254 -0.579 1.00 0.00 C ATOM 690 CG LEU A 48 0.021 -11.153 -1.447 1.00 0.00 C ATOM 691 CD1 LEU A 48 0.691 -9.817 -1.166 1.00 0.00 C ATOM 692 CD2 LEU A 48 0.139 -11.511 -2.921 1.00 0.00 C ATOM 0 H LEU A 48 -1.733 -12.890 -0.287 1.00 0.00 H new ATOM 0 HA LEU A 48 0.330 -13.909 -1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.432 -12.023 0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.714 -12.239 -0.708 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.036 -11.065 -1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.243 -9.046 -1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.555 -9.555 -0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.756 -9.890 -1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.301 -10.717 -3.525 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.190 -11.627 -3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.388 -12.446 -3.112 1.00 0.00 H new ATOM 704 N GLY A 49 0.205 -15.078 1.098 1.00 0.00 N ATOM 705 CA GLY A 49 0.806 -16.035 2.008 1.00 0.00 C ATOM 706 C GLY A 49 0.948 -15.488 3.414 1.00 0.00 C ATOM 707 O GLY A 49 1.019 -16.250 4.379 1.00 0.00 O ATOM 0 H GLY A 49 -0.726 -14.758 1.366 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.198 -16.939 2.033 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.788 -16.322 1.632 1.00 0.00 H new ATOM 711 N ILE A 50 0.991 -14.165 3.531 1.00 0.00 N ATOM 712 CA ILE A 50 1.126 -13.518 4.830 1.00 0.00 C ATOM 713 C ILE A 50 -0.183 -13.573 5.611 1.00 0.00 C ATOM 714 O ILE A 50 -1.119 -12.823 5.330 1.00 0.00 O ATOM 715 CB ILE A 50 1.562 -12.048 4.684 1.00 0.00 C ATOM 716 CG1 ILE A 50 2.656 -11.921 3.621 1.00 0.00 C ATOM 717 CG2 ILE A 50 2.048 -11.504 6.019 1.00 0.00 C ATOM 718 CD1 ILE A 50 2.119 -11.670 2.229 1.00 0.00 C ATOM 0 H ILE A 50 0.934 -13.521 2.742 1.00 0.00 H new ATOM 0 HA ILE A 50 1.895 -14.064 5.376 1.00 0.00 H new ATOM 0 HB ILE A 50 0.702 -11.459 4.366 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.326 -11.106 3.896 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.251 -12.834 3.613 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.353 -10.464 5.899 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.243 -11.564 6.751 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.897 -12.093 6.365 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.949 -11.591 1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.472 -12.496 1.934 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.548 -10.742 2.221 1.00 0.00 H new ATOM 730 N THR A 51 -0.242 -14.465 6.595 1.00 0.00 N ATOM 731 CA THR A 51 -1.435 -14.618 7.417 1.00 0.00 C ATOM 732 C THR A 51 -1.130 -14.346 8.886 1.00 0.00 C ATOM 733 O THR A 51 -2.019 -13.995 9.660 1.00 0.00 O ATOM 734 CB THR A 51 -2.034 -16.030 7.282 1.00 0.00 C ATOM 735 OG1 THR A 51 -1.132 -16.999 7.828 1.00 0.00 O ATOM 736 CG2 THR A 51 -2.318 -16.360 5.824 1.00 0.00 C ATOM 0 H THR A 51 0.523 -15.093 6.842 1.00 0.00 H new ATOM 0 HA THR A 51 -2.161 -13.888 7.058 1.00 0.00 H new ATOM 0 HB THR A 51 -2.973 -16.057 7.834 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.521 -17.894 7.740 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.741 -17.362 5.753 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.027 -15.638 5.419 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.390 -16.317 5.254 1.00 0.00 H new ATOM 744 N LEU A 52 0.134 -14.510 9.262 1.00 0.00 N ATOM 745 CA LEU A 52 0.558 -14.282 10.639 1.00 0.00 C ATOM 746 C LEU A 52 0.063 -12.930 11.143 1.00 0.00 C ATOM 747 O LEU A 52 0.455 -11.883 10.629 1.00 0.00 O ATOM 748 CB LEU A 52 2.083 -14.353 10.743 1.00 0.00 C ATOM 749 CG LEU A 52 2.674 -15.758 10.635 1.00 0.00 C ATOM 750 CD1 LEU A 52 2.997 -16.091 9.187 1.00 0.00 C ATOM 751 CD2 LEU A 52 3.919 -15.881 11.501 1.00 0.00 C ATOM 0 H LEU A 52 0.883 -14.800 8.633 1.00 0.00 H new ATOM 0 HA LEU A 52 0.122 -15.063 11.262 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.515 -13.732 9.958 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.388 -13.919 11.696 1.00 0.00 H new ATOM 0 HG LEU A 52 1.933 -16.471 10.995 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.417 -17.095 9.130 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.086 -16.044 8.591 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.720 -15.373 8.801 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.326 -16.888 11.412 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.665 -15.157 11.171 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.659 -15.686 12.541 1.00 0.00 H new ATOM 763 N MET A 53 -0.800 -12.962 12.153 1.00 0.00 N ATOM 764 CA MET A 53 -1.347 -11.739 12.728 1.00 0.00 C ATOM 765 C MET A 53 -0.253 -10.695 12.929 1.00 0.00 C ATOM 766 O MET A 53 -0.375 -9.559 12.473 1.00 0.00 O ATOM 767 CB MET A 53 -2.033 -12.039 14.063 1.00 0.00 C ATOM 768 CG MET A 53 -3.221 -12.978 13.938 1.00 0.00 C ATOM 769 SD MET A 53 -4.746 -12.115 13.510 1.00 0.00 S ATOM 770 CE MET A 53 -4.681 -12.180 11.722 1.00 0.00 C ATOM 0 H MET A 53 -1.135 -13.821 12.590 1.00 0.00 H new ATOM 0 HA MET A 53 -2.083 -11.338 12.031 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.305 -12.476 14.746 1.00 0.00 H new ATOM 0 HB3 MET A 53 -2.366 -11.102 14.510 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.007 -13.729 13.177 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.360 -13.509 14.880 1.00 0.00 H new ATOM 0 HE1 MET A 53 -4.424 -11.195 11.331 1.00 0.00 H new ATOM 0 HE2 MET A 53 -3.926 -12.902 11.411 1.00 0.00 H new ATOM 0 HE3 MET A 53 -5.653 -12.482 11.333 1.00 0.00 H new ATOM 780 N GLY A 54 0.816 -11.089 13.615 1.00 0.00 N ATOM 781 CA GLY A 54 1.915 -10.175 13.864 1.00 0.00 C ATOM 782 C GLY A 54 2.420 -9.517 12.596 1.00 0.00 C ATOM 783 O GLY A 54 2.976 -8.418 12.636 1.00 0.00 O ATOM 0 H GLY A 54 0.940 -12.024 14.002 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.592 -9.406 14.565 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.733 -10.716 14.339 1.00 0.00 H new ATOM 787 N HIS A 55 2.229 -10.189 11.465 1.00 0.00 N ATOM 788 CA HIS A 55 2.671 -9.663 10.179 1.00 0.00 C ATOM 789 C HIS A 55 1.518 -8.984 9.444 1.00 0.00 C ATOM 790 O HIS A 55 1.541 -7.774 9.219 1.00 0.00 O ATOM 791 CB HIS A 55 3.250 -10.785 9.316 1.00 0.00 C ATOM 792 CG HIS A 55 4.364 -11.535 9.978 1.00 0.00 C ATOM 793 ND1 HIS A 55 4.796 -12.773 9.552 1.00 0.00 N ATOM 794 CD2 HIS A 55 5.139 -11.213 11.041 1.00 0.00 C ATOM 795 CE1 HIS A 55 5.786 -13.182 10.325 1.00 0.00 C ATOM 796 NE2 HIS A 55 6.014 -12.253 11.236 1.00 0.00 N ATOM 0 H HIS A 55 1.771 -11.099 11.413 1.00 0.00 H new ATOM 0 HA HIS A 55 3.447 -8.921 10.366 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.453 -11.484 9.061 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.614 -10.361 8.380 1.00 0.00 H new ATOM 0 HD2 HIS A 55 5.080 -10.307 11.626 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.318 -14.117 10.229 1.00 0.00 H new ATOM 0 HE2 HIS A 55 6.725 -12.301 11.966 1.00 0.00 H new ATOM 805 N GLN A 56 0.513 -9.771 9.075 1.00 0.00 N ATOM 806 CA GLN A 56 -0.647 -9.246 8.365 1.00 0.00 C ATOM 807 C GLN A 56 -1.051 -7.882 8.917 1.00 0.00 C ATOM 808 O GLN A 56 -1.323 -6.950 8.160 1.00 0.00 O ATOM 809 CB GLN A 56 -1.821 -10.220 8.471 1.00 0.00 C ATOM 810 CG GLN A 56 -1.878 -11.230 7.336 1.00 0.00 C ATOM 811 CD GLN A 56 -3.255 -11.842 7.168 1.00 0.00 C ATOM 812 OE1 GLN A 56 -4.063 -11.845 8.097 1.00 0.00 O ATOM 813 NE2 GLN A 56 -3.530 -12.364 5.979 1.00 0.00 N ATOM 0 H GLN A 56 0.479 -10.774 9.256 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.376 -9.128 7.316 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.755 -10.754 9.419 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -2.752 -9.653 8.489 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.585 -10.743 6.406 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.153 -12.022 7.523 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.830 -12.340 5.237 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.441 -12.789 5.807 1.00 0.00 H new ATOM 822 N LYS A 57 -1.089 -7.773 10.240 1.00 0.00 N ATOM 823 CA LYS A 57 -1.459 -6.524 10.895 1.00 0.00 C ATOM 824 C LYS A 57 -0.557 -5.382 10.437 1.00 0.00 C ATOM 825 O LYS A 57 -1.017 -4.259 10.228 1.00 0.00 O ATOM 826 CB LYS A 57 -1.375 -6.676 12.415 1.00 0.00 C ATOM 827 CG LYS A 57 -2.379 -7.663 12.984 1.00 0.00 C ATOM 828 CD LYS A 57 -3.795 -7.115 12.925 1.00 0.00 C ATOM 829 CE LYS A 57 -4.798 -8.098 13.508 1.00 0.00 C ATOM 830 NZ LYS A 57 -6.197 -7.604 13.380 1.00 0.00 N ATOM 0 H LYS A 57 -0.868 -8.535 10.881 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.486 -6.287 10.616 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.369 -6.998 12.684 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.533 -5.702 12.878 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.327 -8.599 12.427 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.119 -7.892 14.018 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.845 -6.174 13.473 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.058 -6.895 11.890 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.704 -9.058 13.000 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.568 -8.270 14.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.850 -8.302 13.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.294 -6.701 13.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.425 -7.464 12.375 1.00 0.00 H new ATOM 844 N LYS A 58 0.729 -5.676 10.282 1.00 0.00 N ATOM 845 CA LYS A 58 1.696 -4.675 9.847 1.00 0.00 C ATOM 846 C LYS A 58 1.461 -4.289 8.390 1.00 0.00 C ATOM 847 O LYS A 58 1.159 -3.135 8.085 1.00 0.00 O ATOM 848 CB LYS A 58 3.122 -5.203 10.021 1.00 0.00 C ATOM 849 CG LYS A 58 3.269 -6.189 11.168 1.00 0.00 C ATOM 850 CD LYS A 58 2.614 -5.670 12.437 1.00 0.00 C ATOM 851 CE LYS A 58 3.054 -4.248 12.750 1.00 0.00 C ATOM 852 NZ LYS A 58 4.465 -4.195 13.222 1.00 0.00 N ATOM 0 H LYS A 58 1.126 -6.600 10.451 1.00 0.00 H new ATOM 0 HA LYS A 58 1.565 -3.788 10.466 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.438 -5.685 9.096 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.794 -4.361 10.188 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.820 -7.142 10.889 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.326 -6.377 11.354 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.530 -5.701 12.327 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.868 -6.323 13.272 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.946 -3.630 11.859 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.400 -3.825 13.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.726 -3.209 13.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.563 -4.764 14.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.092 -4.575 12.485 1.00 0.00 H new ATOM 866 N ILE A 59 1.600 -5.262 7.495 1.00 0.00 N ATOM 867 CA ILE A 59 1.400 -5.023 6.071 1.00 0.00 C ATOM 868 C ILE A 59 0.103 -4.261 5.818 1.00 0.00 C ATOM 869 O ILE A 59 0.104 -3.206 5.185 1.00 0.00 O ATOM 870 CB ILE A 59 1.369 -6.343 5.278 1.00 0.00 C ATOM 871 CG1 ILE A 59 2.695 -7.090 5.438 1.00 0.00 C ATOM 872 CG2 ILE A 59 1.082 -6.072 3.809 1.00 0.00 C ATOM 873 CD1 ILE A 59 2.655 -8.510 4.919 1.00 0.00 C ATOM 0 H ILE A 59 1.850 -6.222 7.731 1.00 0.00 H new ATOM 0 HA ILE A 59 2.244 -4.423 5.730 1.00 0.00 H new ATOM 0 HB ILE A 59 0.570 -6.969 5.675 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.477 -6.542 4.913 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.969 -7.105 6.493 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.063 -7.015 3.262 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.116 -5.577 3.712 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.861 -5.430 3.399 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.628 -8.978 5.065 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.896 -9.074 5.461 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.412 -8.502 3.857 1.00 0.00 H new ATOM 885 N LEU A 60 -1.002 -4.802 6.320 1.00 0.00 N ATOM 886 CA LEU A 60 -2.307 -4.173 6.150 1.00 0.00 C ATOM 887 C LEU A 60 -2.344 -2.807 6.827 1.00 0.00 C ATOM 888 O LEU A 60 -2.630 -1.794 6.190 1.00 0.00 O ATOM 889 CB LEU A 60 -3.407 -5.070 6.723 1.00 0.00 C ATOM 890 CG LEU A 60 -3.977 -6.098 5.747 1.00 0.00 C ATOM 891 CD1 LEU A 60 -4.823 -7.124 6.484 1.00 0.00 C ATOM 892 CD2 LEU A 60 -4.795 -5.410 4.665 1.00 0.00 C ATOM 0 H LEU A 60 -1.020 -5.675 6.848 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.480 -4.034 5.083 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.010 -5.597 7.591 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.221 -4.439 7.078 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.145 -6.618 5.272 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.220 -7.847 5.772 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.208 -7.640 7.221 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.648 -6.621 6.988 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.193 -6.158 3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.619 -4.863 5.124 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.160 -4.715 4.115 1.00 0.00 H new ATOM 904 N GLY A 61 -2.052 -2.787 8.124 1.00 0.00 N ATOM 905 CA GLY A 61 -2.058 -1.541 8.867 1.00 0.00 C ATOM 906 C GLY A 61 -1.098 -0.518 8.292 1.00 0.00 C ATOM 907 O GLY A 61 -1.256 0.683 8.508 1.00 0.00 O ATOM 0 H GLY A 61 -1.811 -3.612 8.673 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.067 -1.127 8.869 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.793 -1.740 9.906 1.00 0.00 H new ATOM 911 N SER A 62 -0.098 -0.995 7.557 1.00 0.00 N ATOM 912 CA SER A 62 0.895 -0.114 6.954 1.00 0.00 C ATOM 913 C SER A 62 0.376 0.472 5.644 1.00 0.00 C ATOM 914 O SER A 62 0.820 1.535 5.209 1.00 0.00 O ATOM 915 CB SER A 62 2.199 -0.876 6.704 1.00 0.00 C ATOM 916 OG SER A 62 3.212 -0.008 6.226 1.00 0.00 O ATOM 0 H SER A 62 0.046 -1.986 7.365 1.00 0.00 H new ATOM 0 HA SER A 62 1.088 0.705 7.647 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.529 -1.352 7.628 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.026 -1.672 5.980 1.00 0.00 H new ATOM 0 HG SER A 62 3.604 0.483 6.978 1.00 0.00 H new ATOM 922 N ILE A 63 -0.565 -0.228 5.022 1.00 0.00 N ATOM 923 CA ILE A 63 -1.146 0.223 3.763 1.00 0.00 C ATOM 924 C ILE A 63 -2.278 1.215 4.004 1.00 0.00 C ATOM 925 O ILE A 63 -2.259 2.331 3.485 1.00 0.00 O ATOM 926 CB ILE A 63 -1.682 -0.960 2.935 1.00 0.00 C ATOM 927 CG1 ILE A 63 -0.528 -1.854 2.475 1.00 0.00 C ATOM 928 CG2 ILE A 63 -2.475 -0.453 1.739 1.00 0.00 C ATOM 929 CD1 ILE A 63 -0.980 -3.189 1.925 1.00 0.00 C ATOM 0 H ILE A 63 -0.942 -1.110 5.369 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.349 0.714 3.205 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.347 -1.552 3.563 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.044 -1.330 1.710 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.145 -2.025 3.315 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.847 -1.301 1.164 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.316 0.146 2.088 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.830 0.159 1.108 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.110 -3.770 1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.527 -3.733 2.695 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.629 -3.027 1.065 1.00 0.00 H new ATOM 941 N GLN A 64 -3.262 0.801 4.796 1.00 0.00 N ATOM 942 CA GLN A 64 -4.402 1.654 5.107 1.00 0.00 C ATOM 943 C GLN A 64 -3.960 3.098 5.320 1.00 0.00 C ATOM 944 O GLN A 64 -4.636 4.036 4.895 1.00 0.00 O ATOM 945 CB GLN A 64 -5.126 1.141 6.353 1.00 0.00 C ATOM 946 CG GLN A 64 -4.609 1.746 7.649 1.00 0.00 C ATOM 947 CD GLN A 64 -5.443 1.348 8.851 1.00 0.00 C ATOM 948 OE1 GLN A 64 -6.672 1.322 8.788 1.00 0.00 O ATOM 949 NE2 GLN A 64 -4.777 1.036 9.956 1.00 0.00 N ATOM 0 H GLN A 64 -3.292 -0.120 5.234 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.087 1.624 4.260 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.190 1.357 6.260 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.024 0.057 6.402 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.577 1.431 7.807 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.601 2.832 7.561 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.758 1.071 9.964 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.285 0.761 10.797 1.00 0.00 H new ATOM 958 N THR A 65 -2.819 3.271 5.981 1.00 0.00 N ATOM 959 CA THR A 65 -2.287 4.600 6.252 1.00 0.00 C ATOM 960 C THR A 65 -1.608 5.183 5.018 1.00 0.00 C ATOM 961 O THR A 65 -1.624 6.395 4.804 1.00 0.00 O ATOM 962 CB THR A 65 -1.277 4.574 7.415 1.00 0.00 C ATOM 963 OG1 THR A 65 -0.969 5.911 7.826 1.00 0.00 O ATOM 964 CG2 THR A 65 0.000 3.856 7.007 1.00 0.00 C ATOM 0 H THR A 65 -2.246 2.507 6.338 1.00 0.00 H new ATOM 0 HA THR A 65 -3.133 5.229 6.529 1.00 0.00 H new ATOM 0 HB THR A 65 -1.728 4.033 8.247 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.328 5.886 8.567 1.00 0.00 H new ATOM 0 HG21 THR A 65 0.698 3.850 7.844 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.234 2.830 6.723 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.453 4.372 6.161 1.00 0.00 H new ATOM 972 N MET A 66 -1.014 4.312 4.209 1.00 0.00 N ATOM 973 CA MET A 66 -0.331 4.742 2.994 1.00 0.00 C ATOM 974 C MET A 66 -1.319 5.344 1.999 1.00 0.00 C ATOM 975 O MET A 66 -0.989 6.284 1.275 1.00 0.00 O ATOM 976 CB MET A 66 0.402 3.563 2.351 1.00 0.00 C ATOM 977 CG MET A 66 1.834 3.402 2.834 1.00 0.00 C ATOM 978 SD MET A 66 2.850 2.450 1.688 1.00 0.00 S ATOM 979 CE MET A 66 1.970 0.890 1.671 1.00 0.00 C ATOM 0 H MET A 66 -0.992 3.305 4.372 1.00 0.00 H new ATOM 0 HA MET A 66 0.395 5.507 3.267 1.00 0.00 H new ATOM 0 HB2 MET A 66 -0.149 2.646 2.560 1.00 0.00 H new ATOM 0 HB3 MET A 66 0.405 3.694 1.269 1.00 0.00 H new ATOM 0 HG2 MET A 66 2.279 4.387 2.976 1.00 0.00 H new ATOM 0 HG3 MET A 66 1.832 2.910 3.807 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.498 0.182 1.032 1.00 0.00 H new ATOM 0 HE2 MET A 66 1.914 0.493 2.685 1.00 0.00 H new ATOM 0 HE3 MET A 66 0.962 1.045 1.286 1.00 0.00 H new ATOM 989 N ARG A 67 -2.530 4.798 1.970 1.00 0.00 N ATOM 990 CA ARG A 67 -3.564 5.281 1.063 1.00 0.00 C ATOM 991 C ARG A 67 -4.441 6.326 1.746 1.00 0.00 C ATOM 992 O ARG A 67 -4.877 7.291 1.119 1.00 0.00 O ATOM 993 CB ARG A 67 -4.427 4.117 0.573 1.00 0.00 C ATOM 994 CG ARG A 67 -4.824 3.147 1.674 1.00 0.00 C ATOM 995 CD ARG A 67 -6.156 2.478 1.373 1.00 0.00 C ATOM 996 NE ARG A 67 -6.863 2.092 2.592 1.00 0.00 N ATOM 997 CZ ARG A 67 -7.891 1.252 2.610 1.00 0.00 C ATOM 998 NH1 ARG A 67 -8.330 0.711 1.482 1.00 0.00 N ATOM 999 NH2 ARG A 67 -8.482 0.950 3.759 1.00 0.00 N ATOM 0 H ARG A 67 -2.819 4.021 2.564 1.00 0.00 H new ATOM 0 HA ARG A 67 -3.074 5.746 0.208 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.329 4.515 0.109 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.884 3.573 -0.200 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.051 2.387 1.787 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.889 3.679 2.623 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.780 3.157 0.792 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.987 1.595 0.757 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.550 2.490 3.478 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.878 0.940 0.597 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.120 0.066 1.499 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.147 1.363 4.629 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.272 0.305 3.772 1.00 0.00 H new ATOM 1013 N ALA A 68 -4.696 6.126 3.035 1.00 0.00 N ATOM 1014 CA ALA A 68 -5.519 7.051 3.804 1.00 0.00 C ATOM 1015 C ALA A 68 -5.194 8.499 3.451 1.00 0.00 C ATOM 1016 O ALA A 68 -6.087 9.342 3.368 1.00 0.00 O ATOM 1017 CB ALA A 68 -5.329 6.814 5.295 1.00 0.00 C ATOM 0 H ALA A 68 -4.344 5.331 3.569 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.563 6.867 3.549 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.950 7.512 5.856 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.619 5.792 5.541 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.282 6.968 5.557 1.00 0.00 H new ATOM 1023 N GLN A 69 -3.911 8.779 3.246 1.00 0.00 N ATOM 1024 CA GLN A 69 -3.469 10.126 2.903 1.00 0.00 C ATOM 1025 C GLN A 69 -4.057 10.568 1.567 1.00 0.00 C ATOM 1026 O GLN A 69 -4.522 11.699 1.426 1.00 0.00 O ATOM 1027 CB GLN A 69 -1.942 10.185 2.847 1.00 0.00 C ATOM 1028 CG GLN A 69 -1.331 9.206 1.857 1.00 0.00 C ATOM 1029 CD GLN A 69 0.153 9.436 1.650 1.00 0.00 C ATOM 1030 OE1 GLN A 69 0.971 8.550 1.898 1.00 0.00 O ATOM 1031 NE2 GLN A 69 0.509 10.630 1.191 1.00 0.00 N ATOM 0 H GLN A 69 -3.160 8.092 3.311 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.823 10.806 3.677 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.635 11.197 2.581 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.542 9.981 3.840 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.491 8.188 2.213 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.845 9.294 0.900 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.202 11.335 0.999 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.494 10.842 1.031 1.00 0.00 H new ATOM 1040 N LEU A 70 -4.032 9.669 0.589 1.00 0.00 N ATOM 1041 CA LEU A 70 -4.562 9.967 -0.737 1.00 0.00 C ATOM 1042 C LEU A 70 -5.960 10.570 -0.641 1.00 0.00 C ATOM 1043 O LEU A 70 -6.178 11.724 -1.012 1.00 0.00 O ATOM 1044 CB LEU A 70 -4.597 8.698 -1.591 1.00 0.00 C ATOM 1045 CG LEU A 70 -3.245 8.257 -2.151 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -3.325 6.834 -2.681 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -2.785 9.209 -3.244 1.00 0.00 C ATOM 0 H LEU A 70 -3.651 8.728 0.689 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.904 10.696 -1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.007 7.886 -0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.283 8.857 -2.423 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.514 8.281 -1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.353 6.538 -3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.609 6.160 -1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.070 6.783 -3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.821 8.880 -3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.517 9.217 -4.052 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.687 10.214 -2.834 1.00 0.00 H new ATOM 1059 N THR A 71 -6.905 9.780 -0.141 1.00 0.00 N ATOM 1060 CA THR A 71 -8.283 10.234 0.002 1.00 0.00 C ATOM 1061 C THR A 71 -8.376 11.413 0.964 1.00 0.00 C ATOM 1062 O THR A 71 -9.093 12.380 0.707 1.00 0.00 O ATOM 1063 CB THR A 71 -9.197 9.101 0.506 1.00 0.00 C ATOM 1064 OG1 THR A 71 -10.516 9.606 0.744 1.00 0.00 O ATOM 1065 CG2 THR A 71 -8.645 8.488 1.784 1.00 0.00 C ATOM 0 H THR A 71 -6.741 8.823 0.172 1.00 0.00 H new ATOM 0 HA THR A 71 -8.617 10.548 -0.987 1.00 0.00 H new ATOM 0 HB THR A 71 -9.237 8.327 -0.261 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.092 8.880 1.063 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.307 7.690 2.121 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.653 8.079 1.592 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.579 9.255 2.556 1.00 0.00 H new ATOM 1073 N SER A 72 -7.647 11.326 2.071 1.00 0.00 N ATOM 1074 CA SER A 72 -7.650 12.386 3.073 1.00 0.00 C ATOM 1075 C SER A 72 -7.062 13.674 2.504 1.00 0.00 C ATOM 1076 O SER A 72 -5.972 13.673 1.932 1.00 0.00 O ATOM 1077 CB SER A 72 -6.856 11.952 4.307 1.00 0.00 C ATOM 1078 OG SER A 72 -7.192 12.744 5.434 1.00 0.00 O ATOM 0 H SER A 72 -7.047 10.533 2.297 1.00 0.00 H new ATOM 0 HA SER A 72 -8.684 12.576 3.362 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.058 10.903 4.523 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.788 12.036 4.105 1.00 0.00 H new ATOM 0 HG SER A 72 -6.673 12.446 6.210 1.00 0.00 H new ATOM 1084 N THR A 73 -7.793 14.772 2.665 1.00 0.00 N ATOM 1085 CA THR A 73 -7.347 16.067 2.167 1.00 0.00 C ATOM 1086 C THR A 73 -5.987 16.439 2.745 1.00 0.00 C ATOM 1087 O THR A 73 -5.848 16.636 3.952 1.00 0.00 O ATOM 1088 CB THR A 73 -8.358 17.178 2.508 1.00 0.00 C ATOM 1089 OG1 THR A 73 -9.674 16.785 2.103 1.00 0.00 O ATOM 1090 CG2 THR A 73 -7.980 18.483 1.822 1.00 0.00 C ATOM 0 H THR A 73 -8.697 14.790 3.137 1.00 0.00 H new ATOM 0 HA THR A 73 -7.267 15.979 1.084 1.00 0.00 H new ATOM 0 HB THR A 73 -8.342 17.334 3.587 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.311 17.496 2.325 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.708 19.253 2.078 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.990 18.795 2.155 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.971 18.337 0.742 1.00 0.00 H new ATOM 1098 N GLN A 74 -4.986 16.534 1.876 1.00 0.00 N ATOM 1099 CA GLN A 74 -3.636 16.883 2.301 1.00 0.00 C ATOM 1100 C GLN A 74 -2.909 17.670 1.215 1.00 0.00 C ATOM 1101 O GLN A 74 -2.561 17.126 0.168 1.00 0.00 O ATOM 1102 CB GLN A 74 -2.845 15.620 2.648 1.00 0.00 C ATOM 1103 CG GLN A 74 -3.225 15.014 3.989 1.00 0.00 C ATOM 1104 CD GLN A 74 -2.097 14.211 4.607 1.00 0.00 C ATOM 1105 OE1 GLN A 74 -2.264 13.036 4.935 1.00 0.00 O ATOM 1106 NE2 GLN A 74 -0.940 14.842 4.769 1.00 0.00 N ATOM 0 H GLN A 74 -5.085 16.374 0.873 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.713 17.511 3.189 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.001 14.877 1.866 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.781 15.858 2.654 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -3.517 15.810 4.674 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -4.095 14.371 3.859 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.846 15.817 4.483 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -0.145 14.352 5.180 1.00 0.00 H new ATOM 1115 N GLY A 75 -2.683 18.955 1.473 1.00 0.00 N ATOM 1116 CA GLY A 75 -1.999 19.796 0.508 1.00 0.00 C ATOM 1117 C GLY A 75 -0.573 20.107 0.918 1.00 0.00 C ATOM 1118 O GLY A 75 -0.307 20.416 2.079 1.00 0.00 O ATOM 0 H GLY A 75 -2.961 19.428 2.333 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.995 19.300 -0.463 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.551 20.728 0.388 1.00 0.00 H new ATOM 1122 N SER A 76 0.347 20.024 -0.038 1.00 0.00 N ATOM 1123 CA SER A 76 1.755 20.294 0.231 1.00 0.00 C ATOM 1124 C SER A 76 2.447 20.854 -1.008 1.00 0.00 C ATOM 1125 O SER A 76 2.523 20.193 -2.043 1.00 0.00 O ATOM 1126 CB SER A 76 2.462 19.017 0.690 1.00 0.00 C ATOM 1127 OG SER A 76 2.422 18.021 -0.317 1.00 0.00 O ATOM 0 H SER A 76 0.143 19.772 -1.005 1.00 0.00 H new ATOM 0 HA SER A 76 1.812 21.038 1.025 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.498 19.242 0.942 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.988 18.641 1.597 1.00 0.00 H new ATOM 0 HG SER A 76 2.410 18.448 -1.199 1.00 0.00 H new ATOM 1133 N GLY A 77 2.950 22.079 -0.895 1.00 0.00 N ATOM 1134 CA GLY A 77 3.629 22.709 -2.012 1.00 0.00 C ATOM 1135 C GLY A 77 5.113 22.890 -1.761 1.00 0.00 C ATOM 1136 O GLY A 77 5.547 23.862 -1.144 1.00 0.00 O ATOM 0 H GLY A 77 2.899 22.647 -0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.486 22.105 -2.908 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.176 23.681 -2.208 1.00 0.00 H new ATOM 1140 N PRO A 78 5.919 21.934 -2.246 1.00 0.00 N ATOM 1141 CA PRO A 78 7.376 21.968 -2.083 1.00 0.00 C ATOM 1142 C PRO A 78 7.979 23.292 -2.539 1.00 0.00 C ATOM 1143 O PRO A 78 7.267 24.182 -3.005 1.00 0.00 O ATOM 1144 CB PRO A 78 7.861 20.824 -2.978 1.00 0.00 C ATOM 1145 CG PRO A 78 6.706 19.888 -3.054 1.00 0.00 C ATOM 1146 CD PRO A 78 5.472 20.745 -2.992 1.00 0.00 C ATOM 0 HA PRO A 78 7.671 21.865 -1.039 1.00 0.00 H new ATOM 0 HB2 PRO A 78 8.142 21.187 -3.967 1.00 0.00 H new ATOM 0 HB3 PRO A 78 8.739 20.336 -2.556 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.733 19.309 -3.977 1.00 0.00 H new ATOM 0 HG3 PRO A 78 6.727 19.175 -2.230 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.114 21.007 -3.988 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.654 20.235 -2.483 1.00 0.00 H new ATOM 1154 N SER A 79 9.295 23.416 -2.402 1.00 0.00 N ATOM 1155 CA SER A 79 9.994 24.633 -2.797 1.00 0.00 C ATOM 1156 C SER A 79 11.406 24.316 -3.281 1.00 0.00 C ATOM 1157 O SER A 79 11.987 23.297 -2.909 1.00 0.00 O ATOM 1158 CB SER A 79 10.053 25.615 -1.625 1.00 0.00 C ATOM 1159 OG SER A 79 10.993 25.193 -0.652 1.00 0.00 O ATOM 0 H SER A 79 9.899 22.688 -2.020 1.00 0.00 H new ATOM 0 HA SER A 79 9.441 25.090 -3.618 1.00 0.00 H new ATOM 0 HB2 SER A 79 10.323 26.606 -1.990 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.067 25.701 -1.169 1.00 0.00 H new ATOM 0 HG SER A 79 11.013 25.838 0.085 1.00 0.00 H new ATOM 1165 N SER A 80 11.951 25.197 -4.114 1.00 0.00 N ATOM 1166 CA SER A 80 13.293 25.010 -4.653 1.00 0.00 C ATOM 1167 C SER A 80 14.350 25.411 -3.629 1.00 0.00 C ATOM 1168 O SER A 80 14.242 26.453 -2.984 1.00 0.00 O ATOM 1169 CB SER A 80 13.469 25.829 -5.933 1.00 0.00 C ATOM 1170 OG SER A 80 14.777 25.680 -6.458 1.00 0.00 O ATOM 0 H SER A 80 11.484 26.047 -4.430 1.00 0.00 H new ATOM 0 HA SER A 80 13.421 23.953 -4.886 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.737 25.511 -6.676 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.275 26.881 -5.725 1.00 0.00 H new ATOM 0 HG SER A 80 14.863 26.212 -7.277 1.00 0.00 H new ATOM 1176 N GLY A 81 15.374 24.575 -3.486 1.00 0.00 N ATOM 1177 CA GLY A 81 16.437 24.858 -2.540 1.00 0.00 C ATOM 1178 C GLY A 81 16.915 23.615 -1.816 1.00 0.00 C ATOM 1179 O GLY A 81 16.171 22.644 -1.678 1.00 0.00 O ATOM 0 H GLY A 81 15.486 23.706 -4.009 1.00 0.00 H new ATOM 0 HA2 GLY A 81 17.276 25.313 -3.066 1.00 0.00 H new ATOM 0 HA3 GLY A 81 16.085 25.587 -1.810 1.00 0.00 H new TER 1183 GLY A 81