USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 704 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 91 LYS NZ :NH3+ 157:sc=-0.00106 (180deg=-0.791) USER MOD Set 1.2: A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 68 MET CE :methyl 162:sc= -4.72! (180deg=-5.87!) USER MOD Set 2.2: A 70 CYS SG : rot -22:sc= -1.76 USER MOD Set 3.1: A 60 HIS : no HD1:sc= -0.506 X(o=-0.51,f=-0.76) USER MOD Set 3.2: A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.193 K(o=-0.19,f=-0.7) USER MOD Single : A 27 LYS NZ :NH3+ 164:sc= -0.021 (180deg=-0.283) USER MOD Single : A 28 ASN :FLIP amide:sc= -1.44! F(o=-2.4,f=-1.4!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.331 USER MOD Single : A 56 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0334) USER MOD Single : A 57 HIS : no HD1:sc= -0.235 X(o=-0.23,f=-0.39) USER MOD Single : A 71 CYS SG : rot 85:sc= -3.44! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 123:sc= -1.43! USER MOD Single : A 74 ASN :FLIP amide:sc= -0.0199 F(o=-0.79,f=-0.02) USER MOD Single : A 96 MET CE :methyl -171:sc= -6.78! (180deg=-6.94!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.166 K(o=-0.17,f=-1.4!) USER MOD Single : A 102 ASN :FLIP amide:sc= 0.742 F(o=-0.008,f=0.74) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.232 K(o=-0.23,f=-2.2!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ -139:sc=-0.00829 (180deg=-0.209) USER MOD Single : A 112 HIS : no HD1:sc= -1.81 K(o=-1.8,f=-2.4) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot -41:sc= -1.45! USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 138 MET CE :methyl -169:sc= -2.36! (180deg=-2.73) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 145 GLN : amide:sc= -3.97! C(o=-4!,f=-10!) USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 SER OG : rot 92:sc= -0.689 USER MOD Single : A 149 THR OG1 : rot 63:sc= 0.858 USER MOD ----------------------------------------------------------------- ATOM 60 N GLN A 26 -9.036 10.218 -5.739 1.00 0.00 N ATOM 61 CA GLN A 26 -8.892 10.377 -7.176 1.00 0.00 C ATOM 62 C GLN A 26 -7.743 11.337 -7.492 1.00 0.00 C ATOM 63 O GLN A 26 -7.231 11.351 -8.610 1.00 0.00 O ATOM 64 CB GLN A 26 -10.199 10.859 -7.808 1.00 0.00 C ATOM 65 CG GLN A 26 -11.005 9.684 -8.366 1.00 0.00 C ATOM 66 CD GLN A 26 -11.047 9.726 -9.895 1.00 0.00 C ATOM 67 OE1 GLN A 26 -11.143 10.775 -10.511 1.00 0.00 O ATOM 68 NE2 GLN A 26 -10.970 8.530 -10.471 1.00 0.00 N ATOM 0 HA GLN A 26 -8.655 9.404 -7.607 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.792 11.391 -7.064 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.981 11.567 -8.607 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.561 8.745 -8.036 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.020 9.713 -7.970 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.891 7.691 -9.896 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.990 8.451 -11.488 1.00 0.00 H new ATOM 75 N LYS A 27 -7.372 12.116 -6.487 1.00 0.00 N ATOM 76 CA LYS A 27 -6.294 13.077 -6.643 1.00 0.00 C ATOM 77 C LYS A 27 -5.019 12.513 -6.013 1.00 0.00 C ATOM 78 O LYS A 27 -4.299 13.226 -5.316 1.00 0.00 O ATOM 79 CB LYS A 27 -6.705 14.440 -6.084 1.00 0.00 C ATOM 80 CG LYS A 27 -7.423 15.274 -7.146 1.00 0.00 C ATOM 81 CD LYS A 27 -8.470 14.438 -7.885 1.00 0.00 C ATOM 82 CE LYS A 27 -9.591 14.003 -6.939 1.00 0.00 C ATOM 83 NZ LYS A 27 -10.352 15.179 -6.462 1.00 0.00 N ATOM 0 H LYS A 27 -7.799 12.101 -5.561 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.082 13.243 -7.699 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.358 14.302 -5.222 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.822 14.974 -5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.903 16.132 -6.676 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.697 15.666 -7.858 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.888 15.017 -8.708 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.996 13.559 -8.322 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.261 13.313 -7.452 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.170 13.466 -6.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.255 14.865 -6.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.798 15.680 -5.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.538 15.819 -7.260 1.00 0.00 H new ATOM 93 N ASN A 28 -4.778 11.237 -6.280 1.00 0.00 N ATOM 94 CA ASN A 28 -3.603 10.570 -5.748 1.00 0.00 C ATOM 95 C ASN A 28 -3.551 9.136 -6.280 1.00 0.00 C ATOM 96 O ASN A 28 -2.908 8.272 -5.685 1.00 0.00 O ATOM 97 CB ASN A 28 -3.650 10.506 -4.220 1.00 0.00 C ATOM 98 CG ASN A 28 -2.240 10.523 -3.627 1.00 0.00 C ATOM 99 OD1 ASN A 28 -1.766 9.317 -3.325 1.00 0.00 O flip ATOM 100 ND2 ASN A 28 -1.624 11.561 -3.454 1.00 0.00 N flip ATOM 0 H ASN A 28 -5.377 10.648 -6.858 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.725 11.136 -6.058 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.221 11.351 -3.834 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.169 9.601 -3.906 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -2.047 12.454 -3.708 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.686 11.537 -3.055 1.00 0.00 H new ATOM 106 N ILE A 29 -4.237 8.927 -7.394 1.00 0.00 N ATOM 107 CA ILE A 29 -4.277 7.613 -8.013 1.00 0.00 C ATOM 108 C ILE A 29 -3.778 7.718 -9.455 1.00 0.00 C ATOM 109 O ILE A 29 -2.724 8.297 -9.711 1.00 0.00 O ATOM 110 CB ILE A 29 -5.676 7.005 -7.889 1.00 0.00 C ATOM 111 CG1 ILE A 29 -6.756 8.068 -8.101 1.00 0.00 C ATOM 112 CG2 ILE A 29 -5.841 6.278 -6.553 1.00 0.00 C ATOM 113 CD1 ILE A 29 -6.847 8.471 -9.574 1.00 0.00 C ATOM 0 H ILE A 29 -4.770 9.646 -7.884 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.609 6.926 -7.493 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.797 6.262 -8.677 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.719 7.685 -7.765 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.532 8.945 -7.493 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.844 5.855 -6.490 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.105 5.478 -6.481 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.692 6.982 -5.735 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.622 9.228 -9.697 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.889 8.876 -9.900 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.095 7.597 -10.176 1.00 0.00 H new ATOM 124 N ASP A 30 -4.560 7.148 -10.361 1.00 0.00 N ATOM 125 CA ASP A 30 -4.210 7.169 -11.771 1.00 0.00 C ATOM 126 C ASP A 30 -5.431 6.767 -12.601 1.00 0.00 C ATOM 127 O ASP A 30 -6.209 7.622 -13.021 1.00 0.00 O ATOM 128 CB ASP A 30 -3.084 6.179 -12.075 1.00 0.00 C ATOM 129 CG ASP A 30 -3.019 5.699 -13.526 1.00 0.00 C ATOM 130 OD1 ASP A 30 -3.154 6.566 -14.417 1.00 0.00 O ATOM 131 OD2 ASP A 30 -2.836 4.477 -13.713 1.00 0.00 O ATOM 0 H ASP A 30 -5.434 6.669 -10.146 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.880 8.177 -12.021 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.132 6.645 -11.819 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.199 5.311 -11.426 1.00 0.00 H new ATOM 135 N GLY A 31 -5.560 5.465 -12.812 1.00 0.00 N ATOM 136 CA GLY A 31 -6.673 4.939 -13.584 1.00 0.00 C ATOM 137 C GLY A 31 -7.773 4.404 -12.665 1.00 0.00 C ATOM 138 O GLY A 31 -8.679 3.706 -13.118 1.00 0.00 O ATOM 0 H GLY A 31 -4.912 4.759 -12.462 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.078 5.722 -14.225 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.321 4.142 -14.239 1.00 0.00 H new ATOM 142 N TRP A 32 -7.657 4.751 -11.392 1.00 0.00 N ATOM 143 CA TRP A 32 -8.631 4.315 -10.406 1.00 0.00 C ATOM 144 C TRP A 32 -9.179 2.957 -10.851 1.00 0.00 C ATOM 145 O TRP A 32 -10.360 2.835 -11.171 1.00 0.00 O ATOM 146 CB TRP A 32 -9.725 5.366 -10.212 1.00 0.00 C ATOM 147 CG TRP A 32 -10.961 4.850 -9.473 1.00 0.00 C ATOM 148 CD1 TRP A 32 -12.052 4.271 -9.993 1.00 0.00 C ATOM 149 CD2 TRP A 32 -11.189 4.890 -8.048 1.00 0.00 C ATOM 150 NE1 TRP A 32 -12.963 3.936 -9.012 1.00 0.00 N ATOM 151 CE2 TRP A 32 -12.422 4.324 -7.792 1.00 0.00 C ATOM 152 CE3 TRP A 32 -10.381 5.387 -7.011 1.00 0.00 C ATOM 153 CZ2 TRP A 32 -12.956 4.203 -6.504 1.00 0.00 C ATOM 154 CZ3 TRP A 32 -10.930 5.258 -5.729 1.00 0.00 C ATOM 155 CH2 TRP A 32 -12.169 4.691 -5.454 1.00 0.00 C ATOM 0 H TRP A 32 -6.903 5.329 -11.020 1.00 0.00 H new ATOM 0 HA TRP A 32 -8.163 4.199 -9.428 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.310 6.209 -9.660 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -10.029 5.743 -11.188 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -12.200 4.089 -11.047 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -13.867 3.486 -9.156 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -9.414 5.833 -7.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -13.924 3.757 -6.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -10.350 5.625 -4.895 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -12.523 4.627 -4.436 1.00 0.00 H new ATOM 300 N PHE A 44 -10.889 2.670 2.972 1.00 0.00 N ATOM 301 CA PHE A 44 -9.460 2.601 3.228 1.00 0.00 C ATOM 302 C PHE A 44 -9.181 2.147 4.662 1.00 0.00 C ATOM 303 O PHE A 44 -9.180 2.960 5.585 1.00 0.00 O ATOM 304 CB PHE A 44 -8.903 4.013 3.035 1.00 0.00 C ATOM 305 CG PHE A 44 -9.536 5.062 3.952 1.00 0.00 C ATOM 306 CD1 PHE A 44 -10.716 5.644 3.607 1.00 0.00 C ATOM 307 CD2 PHE A 44 -8.918 5.413 5.111 1.00 0.00 C ATOM 308 CE1 PHE A 44 -11.303 6.617 4.458 1.00 0.00 C ATOM 309 CE2 PHE A 44 -9.504 6.387 5.962 1.00 0.00 C ATOM 310 CZ PHE A 44 -10.685 6.969 5.617 1.00 0.00 C ATOM 0 HA PHE A 44 -8.995 1.884 2.552 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -7.827 3.995 3.209 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -9.053 4.313 1.998 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -11.206 5.366 2.686 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.981 4.951 5.385 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -12.241 7.078 4.185 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -9.013 6.666 6.883 1.00 0.00 H new ATOM 0 HZ PHE A 44 -11.131 7.710 6.264 1.00 0.00 H new ATOM 319 N ILE A 45 -8.951 0.850 4.804 1.00 0.00 N ATOM 320 CA ILE A 45 -8.671 0.278 6.110 1.00 0.00 C ATOM 321 C ILE A 45 -7.490 1.016 6.742 1.00 0.00 C ATOM 322 O ILE A 45 -7.603 1.543 7.848 1.00 0.00 O ATOM 323 CB ILE A 45 -8.464 -1.234 5.999 1.00 0.00 C ATOM 324 CG1 ILE A 45 -9.785 -1.949 5.712 1.00 0.00 C ATOM 325 CG2 ILE A 45 -7.773 -1.786 7.248 1.00 0.00 C ATOM 326 CD1 ILE A 45 -9.697 -3.432 6.078 1.00 0.00 C ATOM 0 H ILE A 45 -8.953 0.179 4.036 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.524 0.411 6.776 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.804 -1.427 5.154 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.588 -1.478 6.279 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.037 -1.846 4.657 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.638 -2.863 7.143 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.801 -1.308 7.367 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.388 -1.581 8.124 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -10.650 -3.917 5.864 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.909 -3.905 5.492 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.469 -3.532 7.139 1.00 0.00 H new ATOM 337 N MET A 46 -6.383 1.030 6.014 1.00 0.00 N ATOM 338 CA MET A 46 -5.182 1.695 6.490 1.00 0.00 C ATOM 339 C MET A 46 -4.677 2.714 5.466 1.00 0.00 C ATOM 340 O MET A 46 -4.489 2.383 4.297 1.00 0.00 O ATOM 341 CB MET A 46 -4.093 0.653 6.755 1.00 0.00 C ATOM 342 CG MET A 46 -3.497 0.138 5.443 1.00 0.00 C ATOM 343 SD MET A 46 -1.989 1.016 5.070 1.00 0.00 S ATOM 344 CE MET A 46 -0.870 -0.360 4.868 1.00 0.00 C ATOM 0 H MET A 46 -6.293 0.591 5.098 1.00 0.00 H new ATOM 0 HA MET A 46 -5.423 2.224 7.412 1.00 0.00 H new ATOM 0 HB2 MET A 46 -3.306 1.092 7.369 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.511 -0.180 7.320 1.00 0.00 H new ATOM 0 HG2 MET A 46 -3.296 -0.930 5.520 1.00 0.00 H new ATOM 0 HG3 MET A 46 -4.214 0.269 4.632 1.00 0.00 H new ATOM 0 HE1 MET A 46 0.126 0.013 4.629 1.00 0.00 H new ATOM 0 HE2 MET A 46 -0.830 -0.935 5.793 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.222 -0.999 4.058 1.00 0.00 H new ATOM 352 N GLU A 47 -4.471 3.932 5.944 1.00 0.00 N ATOM 353 CA GLU A 47 -3.991 5.001 5.085 1.00 0.00 C ATOM 354 C GLU A 47 -2.575 5.415 5.492 1.00 0.00 C ATOM 355 O GLU A 47 -2.366 5.922 6.593 1.00 0.00 O ATOM 356 CB GLU A 47 -4.942 6.199 5.117 1.00 0.00 C ATOM 357 CG GLU A 47 -5.076 6.755 6.536 1.00 0.00 C ATOM 358 CD GLU A 47 -6.545 6.846 6.953 1.00 0.00 C ATOM 359 OE1 GLU A 47 -7.146 7.910 6.690 1.00 0.00 O ATOM 360 OE2 GLU A 47 -7.035 5.849 7.527 1.00 0.00 O ATOM 0 H GLU A 47 -4.628 4.202 6.915 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.960 4.630 4.060 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.573 6.979 4.450 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.922 5.900 4.746 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.535 6.115 7.234 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.618 7.743 6.588 1.00 0.00 H new ATOM 365 N GLY A 48 -1.640 5.181 4.583 1.00 0.00 N ATOM 366 CA GLY A 48 -0.251 5.523 4.834 1.00 0.00 C ATOM 367 C GLY A 48 0.588 5.377 3.563 1.00 0.00 C ATOM 368 O GLY A 48 0.164 4.731 2.606 1.00 0.00 O ATOM 0 H GLY A 48 -1.817 4.759 3.672 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.186 6.547 5.201 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.151 4.878 5.615 1.00 0.00 H new ATOM 372 N THR A 49 1.763 5.988 3.594 1.00 0.00 N ATOM 373 CA THR A 49 2.665 5.934 2.456 1.00 0.00 C ATOM 374 C THR A 49 3.958 5.208 2.834 1.00 0.00 C ATOM 375 O THR A 49 4.651 5.613 3.766 1.00 0.00 O ATOM 376 CB THR A 49 2.893 7.365 1.965 1.00 0.00 C ATOM 377 OG1 THR A 49 4.254 7.374 1.543 1.00 0.00 O ATOM 378 CG2 THR A 49 2.848 8.388 3.101 1.00 0.00 C ATOM 0 H THR A 49 2.111 6.523 4.389 1.00 0.00 H new ATOM 0 HA THR A 49 2.234 5.359 1.637 1.00 0.00 H new ATOM 0 HB THR A 49 2.139 7.618 1.220 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.487 8.265 1.208 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.016 9.387 2.698 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.872 8.351 3.585 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.624 8.156 3.830 1.00 0.00 H new ATOM 386 N LEU A 50 4.244 4.149 2.091 1.00 0.00 N ATOM 387 CA LEU A 50 5.441 3.363 2.337 1.00 0.00 C ATOM 388 C LEU A 50 6.390 3.502 1.145 1.00 0.00 C ATOM 389 O LEU A 50 5.947 3.607 0.003 1.00 0.00 O ATOM 390 CB LEU A 50 5.073 1.915 2.665 1.00 0.00 C ATOM 391 CG LEU A 50 4.127 1.715 3.851 1.00 0.00 C ATOM 392 CD1 LEU A 50 2.698 2.120 3.487 1.00 0.00 C ATOM 393 CD2 LEU A 50 4.200 0.279 4.374 1.00 0.00 C ATOM 0 H LEU A 50 3.667 3.817 1.318 1.00 0.00 H new ATOM 0 HA LEU A 50 5.971 3.739 3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.616 1.468 1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.992 1.363 2.862 1.00 0.00 H new ATOM 0 HG LEU A 50 4.451 2.370 4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.046 1.968 4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.680 3.171 3.199 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.348 1.510 2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.518 0.164 5.217 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.916 -0.412 3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.218 0.061 4.698 1.00 0.00 H new ATOM 404 N THR A 51 7.679 3.498 1.453 1.00 0.00 N ATOM 405 CA THR A 51 8.695 3.622 0.421 1.00 0.00 C ATOM 406 C THR A 51 9.236 2.243 0.038 1.00 0.00 C ATOM 407 O THR A 51 9.432 1.388 0.899 1.00 0.00 O ATOM 408 CB THR A 51 9.774 4.578 0.933 1.00 0.00 C ATOM 409 OG1 THR A 51 9.538 5.785 0.213 1.00 0.00 O ATOM 410 CG2 THR A 51 11.181 4.157 0.503 1.00 0.00 C ATOM 0 H THR A 51 8.043 3.411 2.402 1.00 0.00 H new ATOM 0 HA THR A 51 8.279 4.040 -0.496 1.00 0.00 H new ATOM 0 HB THR A 51 9.727 4.630 2.021 1.00 0.00 H new ATOM 0 HG1 THR A 51 10.193 6.461 0.485 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.909 4.869 0.892 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.399 3.164 0.895 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.238 4.138 -0.585 1.00 0.00 H new ATOM 418 N ARG A 52 9.464 2.071 -1.256 1.00 0.00 N ATOM 419 CA ARG A 52 9.979 0.811 -1.765 1.00 0.00 C ATOM 420 C ARG A 52 11.506 0.859 -1.853 1.00 0.00 C ATOM 421 O ARG A 52 12.059 1.452 -2.778 1.00 0.00 O ATOM 422 CB ARG A 52 9.404 0.499 -3.148 1.00 0.00 C ATOM 423 CG ARG A 52 9.856 -0.881 -3.630 1.00 0.00 C ATOM 424 CD ARG A 52 9.910 -0.937 -5.158 1.00 0.00 C ATOM 425 NE ARG A 52 8.803 -1.773 -5.674 1.00 0.00 N ATOM 426 CZ ARG A 52 8.672 -3.082 -5.423 1.00 0.00 C ATOM 427 NH1 ARG A 52 9.576 -3.713 -4.663 1.00 0.00 N ATOM 428 NH2 ARG A 52 7.635 -3.761 -5.933 1.00 0.00 N ATOM 0 H ARG A 52 9.301 2.784 -1.967 1.00 0.00 H new ATOM 0 HA ARG A 52 9.676 0.025 -1.073 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.315 0.537 -3.110 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.725 1.260 -3.859 1.00 0.00 H new ATOM 0 HG2 ARG A 52 10.839 -1.110 -3.219 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.170 -1.643 -3.259 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.839 0.070 -5.570 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.867 -1.346 -5.481 1.00 0.00 H new ATOM 0 HE ARG A 52 8.096 -1.324 -6.257 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.365 -3.197 -4.275 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.475 -4.710 -4.472 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.946 -3.281 -6.512 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.535 -4.758 -5.742 1.00 0.00 H new ATOM 439 N VAL A 53 12.143 0.228 -0.879 1.00 0.00 N ATOM 440 CA VAL A 53 13.595 0.191 -0.835 1.00 0.00 C ATOM 441 C VAL A 53 14.105 -0.848 -1.836 1.00 0.00 C ATOM 442 O VAL A 53 14.606 -1.901 -1.443 1.00 0.00 O ATOM 443 CB VAL A 53 14.069 -0.074 0.595 1.00 0.00 C ATOM 444 CG1 VAL A 53 15.466 -0.700 0.603 1.00 0.00 C ATOM 445 CG2 VAL A 53 14.038 1.208 1.429 1.00 0.00 C ATOM 0 H VAL A 53 11.681 -0.262 -0.113 1.00 0.00 H new ATOM 0 HA VAL A 53 14.010 1.155 -1.127 1.00 0.00 H new ATOM 0 HB VAL A 53 13.380 -0.786 1.050 1.00 0.00 H new ATOM 0 HG11 VAL A 53 15.779 -0.878 1.632 1.00 0.00 H new ATOM 0 HG12 VAL A 53 15.444 -1.646 0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 53 16.171 -0.022 0.121 1.00 0.00 H new ATOM 0 HG21 VAL A 53 14.380 0.992 2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.693 1.953 0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 53 13.019 1.594 1.465 1.00 0.00 H new ATOM 455 N GLY A 54 13.961 -0.516 -3.111 1.00 0.00 N ATOM 456 CA GLY A 54 14.400 -1.407 -4.171 1.00 0.00 C ATOM 457 C GLY A 54 14.863 -0.615 -5.396 1.00 0.00 C ATOM 458 O GLY A 54 15.150 -1.195 -6.442 1.00 0.00 O ATOM 0 H GLY A 54 13.546 0.358 -3.433 1.00 0.00 H new ATOM 0 HA2 GLY A 54 15.215 -2.034 -3.810 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.585 -2.074 -4.451 1.00 0.00 H new ATOM 462 N ALA A 55 14.922 0.697 -5.225 1.00 0.00 N ATOM 463 CA ALA A 55 15.345 1.574 -6.303 1.00 0.00 C ATOM 464 C ALA A 55 14.869 2.999 -6.012 1.00 0.00 C ATOM 465 O ALA A 55 14.430 3.708 -6.917 1.00 0.00 O ATOM 466 CB ALA A 55 14.810 1.042 -7.634 1.00 0.00 C ATOM 0 H ALA A 55 14.684 1.174 -4.356 1.00 0.00 H new ATOM 0 HA ALA A 55 16.432 1.597 -6.374 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.127 1.700 -8.443 1.00 0.00 H new ATOM 0 HB2 ALA A 55 15.200 0.039 -7.808 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.721 1.007 -7.601 1.00 0.00 H new ATOM 472 N LYS A 56 14.974 3.377 -4.746 1.00 0.00 N ATOM 473 CA LYS A 56 14.560 4.705 -4.325 1.00 0.00 C ATOM 474 C LYS A 56 13.214 5.043 -4.969 1.00 0.00 C ATOM 475 O LYS A 56 13.152 5.843 -5.901 1.00 0.00 O ATOM 476 CB LYS A 56 15.658 5.728 -4.622 1.00 0.00 C ATOM 477 CG LYS A 56 15.320 7.089 -4.011 1.00 0.00 C ATOM 478 CD LYS A 56 15.113 8.143 -5.100 1.00 0.00 C ATOM 479 CE LYS A 56 15.015 9.545 -4.495 1.00 0.00 C ATOM 480 NZ LYS A 56 16.358 10.044 -4.123 1.00 0.00 N ATOM 0 H LYS A 56 15.340 2.787 -3.999 1.00 0.00 H new ATOM 0 HA LYS A 56 14.413 4.734 -3.245 1.00 0.00 H new ATOM 0 HB2 LYS A 56 16.608 5.373 -4.224 1.00 0.00 H new ATOM 0 HB3 LYS A 56 15.783 5.830 -5.700 1.00 0.00 H new ATOM 0 HG2 LYS A 56 14.418 7.005 -3.405 1.00 0.00 H new ATOM 0 HG3 LYS A 56 16.124 7.402 -3.345 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.940 8.106 -5.809 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.204 7.920 -5.659 1.00 0.00 H new ATOM 0 HE2 LYS A 56 14.553 10.225 -5.211 1.00 0.00 H new ATOM 0 HE3 LYS A 56 14.372 9.524 -3.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.289 11.038 -3.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 16.736 9.473 -3.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 16.994 9.972 -4.942 1.00 0.00 H new ATOM 490 N HIS A 57 12.170 4.417 -4.446 1.00 0.00 N ATOM 491 CA HIS A 57 10.829 4.642 -4.959 1.00 0.00 C ATOM 492 C HIS A 57 9.842 4.730 -3.793 1.00 0.00 C ATOM 493 O HIS A 57 9.996 4.034 -2.791 1.00 0.00 O ATOM 494 CB HIS A 57 10.449 3.564 -5.977 1.00 0.00 C ATOM 495 CG HIS A 57 10.868 3.882 -7.392 1.00 0.00 C ATOM 496 ND1 HIS A 57 10.730 5.140 -7.951 1.00 0.00 N ATOM 497 CD2 HIS A 57 11.424 3.092 -8.355 1.00 0.00 C ATOM 498 CE1 HIS A 57 11.184 5.098 -9.195 1.00 0.00 C ATOM 499 NE2 HIS A 57 11.613 3.827 -9.444 1.00 0.00 N ATOM 0 H HIS A 57 12.225 3.754 -3.673 1.00 0.00 H new ATOM 0 HA HIS A 57 10.794 5.592 -5.492 1.00 0.00 H new ATOM 0 HB2 HIS A 57 10.904 2.620 -5.678 1.00 0.00 H new ATOM 0 HB3 HIS A 57 9.369 3.420 -5.952 1.00 0.00 H new ATOM 0 HD2 HIS A 57 11.669 2.045 -8.249 1.00 0.00 H new ATOM 0 HE1 HIS A 57 11.210 5.924 -9.890 1.00 0.00 H new ATOM 0 HE2 HIS A 57 12.013 3.496 -10.322 1.00 0.00 H new ATOM 506 N GLU A 58 8.851 5.593 -3.963 1.00 0.00 N ATOM 507 CA GLU A 58 7.839 5.782 -2.937 1.00 0.00 C ATOM 508 C GLU A 58 6.440 5.619 -3.535 1.00 0.00 C ATOM 509 O GLU A 58 6.258 5.759 -4.744 1.00 0.00 O ATOM 510 CB GLU A 58 7.991 7.146 -2.262 1.00 0.00 C ATOM 511 CG GLU A 58 8.108 8.263 -3.302 1.00 0.00 C ATOM 512 CD GLU A 58 8.628 9.553 -2.665 1.00 0.00 C ATOM 513 OE1 GLU A 58 9.717 9.486 -2.053 1.00 0.00 O ATOM 514 OE2 GLU A 58 7.926 10.578 -2.803 1.00 0.00 O ATOM 0 H GLU A 58 8.727 6.169 -4.796 1.00 0.00 H new ATOM 0 HA GLU A 58 7.977 5.018 -2.172 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.133 7.334 -1.616 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.875 7.144 -1.625 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.780 7.951 -4.101 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.134 8.445 -3.757 1.00 0.00 H new ATOM 519 N ARG A 59 5.489 5.326 -2.661 1.00 0.00 N ATOM 520 CA ARG A 59 4.112 5.142 -3.088 1.00 0.00 C ATOM 521 C ARG A 59 3.166 5.255 -1.890 1.00 0.00 C ATOM 522 O ARG A 59 3.464 4.750 -0.809 1.00 0.00 O ATOM 523 CB ARG A 59 3.919 3.779 -3.755 1.00 0.00 C ATOM 524 CG ARG A 59 4.072 2.645 -2.739 1.00 0.00 C ATOM 525 CD ARG A 59 4.921 1.508 -3.311 1.00 0.00 C ATOM 526 NE ARG A 59 4.161 0.783 -4.353 1.00 0.00 N ATOM 527 CZ ARG A 59 4.579 -0.347 -4.940 1.00 0.00 C ATOM 528 NH1 ARG A 59 5.755 -0.887 -4.590 1.00 0.00 N ATOM 529 NH2 ARG A 59 3.823 -0.936 -5.876 1.00 0.00 N ATOM 0 H ARG A 59 5.644 5.211 -1.659 1.00 0.00 H new ATOM 0 HA ARG A 59 3.882 5.923 -3.812 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.931 3.731 -4.213 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.648 3.655 -4.556 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.535 3.027 -1.829 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.089 2.265 -2.461 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.842 1.908 -3.734 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.208 0.821 -2.515 1.00 0.00 H new ATOM 0 HE ARG A 59 3.262 1.168 -4.643 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.331 -0.438 -3.878 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.074 -1.747 -5.036 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.929 -0.524 -6.142 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.142 -1.796 -6.322 1.00 0.00 H new ATOM 540 N HIS A 60 2.044 5.920 -2.124 1.00 0.00 N ATOM 541 CA HIS A 60 1.053 6.106 -1.078 1.00 0.00 C ATOM 542 C HIS A 60 0.192 4.846 -0.958 1.00 0.00 C ATOM 543 O HIS A 60 -0.758 4.664 -1.718 1.00 0.00 O ATOM 544 CB HIS A 60 0.225 7.367 -1.331 1.00 0.00 C ATOM 545 CG HIS A 60 -0.108 8.145 -0.081 1.00 0.00 C ATOM 546 ND1 HIS A 60 0.448 9.380 0.204 1.00 0.00 N ATOM 547 CD2 HIS A 60 -0.945 7.851 0.955 1.00 0.00 C ATOM 548 CE1 HIS A 60 -0.039 9.801 1.363 1.00 0.00 C ATOM 549 NE2 HIS A 60 -0.902 8.852 1.827 1.00 0.00 N ATOM 0 H HIS A 60 1.799 6.336 -3.022 1.00 0.00 H new ATOM 0 HA HIS A 60 1.553 6.256 -0.121 1.00 0.00 H new ATOM 0 HB2 HIS A 60 0.771 8.016 -2.016 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.703 7.086 -1.829 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.542 6.956 1.050 1.00 0.00 H new ATOM 0 HE1 HIS A 60 0.205 10.732 1.854 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -1.428 8.903 2.700 1.00 0.00 H new ATOM 556 N ILE A 61 0.556 4.010 0.003 1.00 0.00 N ATOM 557 CA ILE A 61 -0.171 2.773 0.233 1.00 0.00 C ATOM 558 C ILE A 61 -1.570 3.099 0.761 1.00 0.00 C ATOM 559 O ILE A 61 -1.759 4.100 1.450 1.00 0.00 O ATOM 560 CB ILE A 61 0.629 1.843 1.146 1.00 0.00 C ATOM 561 CG1 ILE A 61 2.001 1.531 0.545 1.00 0.00 C ATOM 562 CG2 ILE A 61 -0.160 0.571 1.462 1.00 0.00 C ATOM 563 CD1 ILE A 61 1.861 0.826 -0.806 1.00 0.00 C ATOM 0 H ILE A 61 1.345 4.165 0.631 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.301 2.229 -0.702 1.00 0.00 H new ATOM 0 HB ILE A 61 0.801 2.358 2.091 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.566 2.455 0.420 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.568 0.901 1.231 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.432 -0.072 2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.091 0.835 1.963 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.384 0.042 0.536 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.851 0.616 -1.211 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.317 -0.109 -0.674 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.315 1.469 -1.497 1.00 0.00 H new ATOM 574 N PHE A 62 -2.514 2.235 0.417 1.00 0.00 N ATOM 575 CA PHE A 62 -3.889 2.418 0.848 1.00 0.00 C ATOM 576 C PHE A 62 -4.655 1.094 0.814 1.00 0.00 C ATOM 577 O PHE A 62 -5.330 0.788 -0.168 1.00 0.00 O ATOM 578 CB PHE A 62 -4.539 3.395 -0.134 1.00 0.00 C ATOM 579 CG PHE A 62 -4.998 4.707 0.505 1.00 0.00 C ATOM 580 CD1 PHE A 62 -5.983 4.698 1.443 1.00 0.00 C ATOM 581 CD2 PHE A 62 -4.421 5.882 0.135 1.00 0.00 C ATOM 582 CE1 PHE A 62 -6.409 5.916 2.036 1.00 0.00 C ATOM 583 CE2 PHE A 62 -4.848 7.099 0.728 1.00 0.00 C ATOM 584 CZ PHE A 62 -5.833 7.091 1.666 1.00 0.00 C ATOM 0 H PHE A 62 -2.353 1.406 -0.155 1.00 0.00 H new ATOM 0 HA PHE A 62 -3.912 2.794 1.871 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.829 3.619 -0.930 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.397 2.910 -0.599 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.441 3.765 1.737 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.639 5.889 -0.609 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.191 5.909 2.781 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.390 8.032 0.434 1.00 0.00 H new ATOM 0 HZ PHE A 62 -6.157 8.017 2.117 1.00 0.00 H new ATOM 593 N LEU A 63 -4.526 0.344 1.899 1.00 0.00 N ATOM 594 CA LEU A 63 -5.198 -0.939 2.006 1.00 0.00 C ATOM 595 C LEU A 63 -6.698 -0.711 2.198 1.00 0.00 C ATOM 596 O LEU A 63 -7.121 -0.168 3.218 1.00 0.00 O ATOM 597 CB LEU A 63 -4.559 -1.788 3.107 1.00 0.00 C ATOM 598 CG LEU A 63 -5.465 -2.150 4.286 1.00 0.00 C ATOM 599 CD1 LEU A 63 -6.631 -3.030 3.832 1.00 0.00 C ATOM 600 CD2 LEU A 63 -4.663 -2.800 5.415 1.00 0.00 C ATOM 0 H LEU A 63 -3.966 0.601 2.712 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.078 -1.509 1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.192 -2.712 2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.691 -1.254 3.492 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.892 -1.229 4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.259 -3.273 4.689 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.222 -2.495 3.089 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.244 -3.950 3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.331 -3.047 6.240 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.189 -3.710 5.047 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.897 -2.107 5.763 1.00 0.00 H new ATOM 611 N PHE A 64 -7.462 -1.135 1.202 1.00 0.00 N ATOM 612 CA PHE A 64 -8.906 -0.983 1.249 1.00 0.00 C ATOM 613 C PHE A 64 -9.567 -2.218 1.865 1.00 0.00 C ATOM 614 O PHE A 64 -9.036 -3.323 1.772 1.00 0.00 O ATOM 615 CB PHE A 64 -9.386 -0.829 -0.195 1.00 0.00 C ATOM 616 CG PHE A 64 -8.971 0.489 -0.852 1.00 0.00 C ATOM 617 CD1 PHE A 64 -8.252 1.403 -0.147 1.00 0.00 C ATOM 618 CD2 PHE A 64 -9.321 0.747 -2.141 1.00 0.00 C ATOM 619 CE1 PHE A 64 -7.867 2.626 -0.756 1.00 0.00 C ATOM 620 CE2 PHE A 64 -8.935 1.970 -2.750 1.00 0.00 C ATOM 621 CZ PHE A 64 -8.216 2.884 -2.045 1.00 0.00 C ATOM 0 H PHE A 64 -7.108 -1.584 0.357 1.00 0.00 H new ATOM 0 HA PHE A 64 -9.170 -0.120 1.860 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -8.996 -1.657 -0.787 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -10.473 -0.907 -0.216 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.974 1.198 0.876 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -9.892 0.022 -2.701 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -7.297 3.352 -0.196 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.212 2.175 -3.774 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.922 3.814 -2.508 1.00 0.00 H new ATOM 630 N ASP A 65 -10.718 -1.988 2.481 1.00 0.00 N ATOM 631 CA ASP A 65 -11.458 -3.068 3.112 1.00 0.00 C ATOM 632 C ASP A 65 -11.888 -4.077 2.045 1.00 0.00 C ATOM 633 O ASP A 65 -12.500 -5.096 2.361 1.00 0.00 O ATOM 634 CB ASP A 65 -12.718 -2.542 3.801 1.00 0.00 C ATOM 635 CG ASP A 65 -12.895 -2.990 5.254 1.00 0.00 C ATOM 636 OD1 ASP A 65 -13.196 -4.188 5.446 1.00 0.00 O ATOM 637 OD2 ASP A 65 -12.725 -2.124 6.139 1.00 0.00 O ATOM 0 H ASP A 65 -11.156 -1.070 2.556 1.00 0.00 H new ATOM 0 HA ASP A 65 -10.809 -3.534 3.854 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.702 -1.453 3.772 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -13.588 -2.864 3.229 1.00 0.00 H new ATOM 641 N GLY A 66 -11.551 -3.758 0.804 1.00 0.00 N ATOM 642 CA GLY A 66 -11.895 -4.624 -0.311 1.00 0.00 C ATOM 643 C GLY A 66 -10.644 -5.269 -0.910 1.00 0.00 C ATOM 644 O GLY A 66 -10.689 -6.409 -1.371 1.00 0.00 O ATOM 0 H GLY A 66 -11.043 -2.912 0.546 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -12.583 -5.400 0.025 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -12.414 -4.048 -1.077 1.00 0.00 H new ATOM 648 N LEU A 67 -9.556 -4.513 -0.884 1.00 0.00 N ATOM 649 CA LEU A 67 -8.295 -4.996 -1.419 1.00 0.00 C ATOM 650 C LEU A 67 -7.194 -3.979 -1.116 1.00 0.00 C ATOM 651 O LEU A 67 -7.454 -2.938 -0.515 1.00 0.00 O ATOM 652 CB LEU A 67 -8.435 -5.326 -2.907 1.00 0.00 C ATOM 653 CG LEU A 67 -8.151 -4.178 -3.878 1.00 0.00 C ATOM 654 CD1 LEU A 67 -6.800 -4.368 -4.571 1.00 0.00 C ATOM 655 CD2 LEU A 67 -9.293 -4.014 -4.882 1.00 0.00 C ATOM 0 H LEU A 67 -9.522 -3.569 -0.500 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.009 -5.930 -0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.760 -6.149 -3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.449 -5.684 -3.086 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.091 -3.253 -3.305 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.622 -3.539 -5.256 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.008 -4.397 -3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.806 -5.304 -5.129 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.066 -3.192 -5.560 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.410 -4.934 -5.454 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.219 -3.799 -4.348 1.00 0.00 H new ATOM 666 N MET A 68 -5.986 -4.316 -1.546 1.00 0.00 N ATOM 667 CA MET A 68 -4.844 -3.444 -1.328 1.00 0.00 C ATOM 668 C MET A 68 -4.512 -2.648 -2.592 1.00 0.00 C ATOM 669 O MET A 68 -4.420 -3.215 -3.680 1.00 0.00 O ATOM 670 CB MET A 68 -3.632 -4.284 -0.920 1.00 0.00 C ATOM 671 CG MET A 68 -2.842 -3.599 0.198 1.00 0.00 C ATOM 672 SD MET A 68 -1.793 -2.328 -0.486 1.00 0.00 S ATOM 673 CE MET A 68 -0.496 -2.303 0.741 1.00 0.00 C ATOM 0 H MET A 68 -5.774 -5.181 -2.044 1.00 0.00 H new ATOM 0 HA MET A 68 -5.094 -2.740 -0.534 1.00 0.00 H new ATOM 0 HB2 MET A 68 -3.962 -5.268 -0.587 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.986 -4.440 -1.784 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.528 -3.164 0.925 1.00 0.00 H new ATOM 0 HG3 MET A 68 -2.238 -4.334 0.730 1.00 0.00 H new ATOM 0 HE1 MET A 68 0.386 -1.814 0.328 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.837 -1.756 1.620 1.00 0.00 H new ATOM 0 HE3 MET A 68 -0.244 -3.325 1.025 1.00 0.00 H new ATOM 681 N ILE A 69 -4.343 -1.348 -2.406 1.00 0.00 N ATOM 682 CA ILE A 69 -4.023 -0.468 -3.518 1.00 0.00 C ATOM 683 C ILE A 69 -2.812 0.391 -3.151 1.00 0.00 C ATOM 684 O ILE A 69 -2.857 1.156 -2.189 1.00 0.00 O ATOM 685 CB ILE A 69 -5.253 0.345 -3.928 1.00 0.00 C ATOM 686 CG1 ILE A 69 -4.943 1.236 -5.133 1.00 0.00 C ATOM 687 CG2 ILE A 69 -5.798 1.149 -2.746 1.00 0.00 C ATOM 688 CD1 ILE A 69 -3.989 2.368 -4.747 1.00 0.00 C ATOM 0 H ILE A 69 -4.421 -0.882 -1.502 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.746 -1.050 -4.397 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.036 -0.349 -4.233 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.499 0.637 -5.928 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -5.869 1.655 -5.528 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.672 1.718 -3.065 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.081 0.469 -1.943 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.030 1.834 -2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.785 2.986 -5.621 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.446 2.979 -3.969 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.055 1.946 -4.375 1.00 0.00 H new ATOM 699 N CYS A 70 -1.757 0.236 -3.937 1.00 0.00 N ATOM 700 CA CYS A 70 -0.535 0.989 -3.707 1.00 0.00 C ATOM 701 C CYS A 70 -0.441 2.087 -4.767 1.00 0.00 C ATOM 702 O CYS A 70 -0.302 1.798 -5.955 1.00 0.00 O ATOM 703 CB CYS A 70 0.697 0.082 -3.713 1.00 0.00 C ATOM 704 SG CYS A 70 0.372 -1.424 -2.725 1.00 0.00 S ATOM 0 H CYS A 70 -1.723 -0.400 -4.734 1.00 0.00 H new ATOM 0 HA CYS A 70 -0.565 1.444 -2.717 1.00 0.00 H new ATOM 0 HB2 CYS A 70 0.951 -0.193 -4.737 1.00 0.00 H new ATOM 0 HB3 CYS A 70 1.554 0.617 -3.304 1.00 0.00 H new ATOM 0 HG CYS A 70 -0.590 -1.191 -1.882 1.00 0.00 H new ATOM 709 N CYS A 71 -0.520 3.325 -4.300 1.00 0.00 N ATOM 710 CA CYS A 71 -0.445 4.468 -5.194 1.00 0.00 C ATOM 711 C CYS A 71 1.029 4.824 -5.396 1.00 0.00 C ATOM 712 O CYS A 71 1.648 5.439 -4.529 1.00 0.00 O ATOM 713 CB CYS A 71 -1.250 5.655 -4.662 1.00 0.00 C ATOM 714 SG CYS A 71 -2.877 5.083 -4.048 1.00 0.00 S ATOM 0 H CYS A 71 -0.635 3.561 -3.314 1.00 0.00 H new ATOM 0 HA CYS A 71 -0.891 4.211 -6.155 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -0.701 6.146 -3.859 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -1.389 6.394 -5.451 1.00 0.00 H new ATOM 0 HG CYS A 71 -2.758 4.673 -2.820 1.00 0.00 H new ATOM 719 N LYS A 72 1.550 4.422 -6.547 1.00 0.00 N ATOM 720 CA LYS A 72 2.939 4.690 -6.874 1.00 0.00 C ATOM 721 C LYS A 72 3.188 6.199 -6.824 1.00 0.00 C ATOM 722 O LYS A 72 2.284 6.990 -7.088 1.00 0.00 O ATOM 723 CB LYS A 72 3.308 4.050 -8.214 1.00 0.00 C ATOM 724 CG LYS A 72 4.582 3.213 -8.090 1.00 0.00 C ATOM 725 CD LYS A 72 5.240 3.010 -9.457 1.00 0.00 C ATOM 726 CE LYS A 72 6.486 3.886 -9.600 1.00 0.00 C ATOM 727 NZ LYS A 72 7.374 3.355 -10.659 1.00 0.00 N ATOM 0 H LYS A 72 1.034 3.913 -7.264 1.00 0.00 H new ATOM 0 HA LYS A 72 3.599 4.233 -6.137 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.487 3.421 -8.559 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.451 4.827 -8.965 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.282 3.707 -7.415 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.344 2.245 -7.650 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.512 1.962 -9.582 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.529 3.251 -10.247 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.194 4.908 -9.841 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.023 3.923 -8.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.215 3.961 -10.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.667 2.388 -10.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.864 3.342 -11.565 1.00 0.00 H new ATOM 737 N SER A 73 4.419 6.553 -6.484 1.00 0.00 N ATOM 738 CA SER A 73 4.798 7.953 -6.396 1.00 0.00 C ATOM 739 C SER A 73 6.301 8.104 -6.638 1.00 0.00 C ATOM 740 O SER A 73 7.112 7.687 -5.812 1.00 0.00 O ATOM 741 CB SER A 73 4.418 8.542 -5.036 1.00 0.00 C ATOM 742 OG SER A 73 3.740 9.789 -5.165 1.00 0.00 O ATOM 0 H SER A 73 5.167 5.894 -6.266 1.00 0.00 H new ATOM 0 HA SER A 73 4.255 8.503 -7.165 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.782 7.837 -4.501 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.318 8.679 -4.436 1.00 0.00 H new ATOM 0 HG SER A 73 2.870 9.736 -4.718 1.00 0.00 H new ATOM 747 N ASN A 74 6.628 8.701 -7.775 1.00 0.00 N ATOM 748 CA ASN A 74 8.019 8.913 -8.136 1.00 0.00 C ATOM 749 C ASN A 74 8.201 10.350 -8.628 1.00 0.00 C ATOM 750 O ASN A 74 8.959 11.120 -8.040 1.00 0.00 O ATOM 751 CB ASN A 74 8.445 7.970 -9.263 1.00 0.00 C ATOM 752 CG ASN A 74 9.794 8.391 -9.850 1.00 0.00 C ATOM 753 OD1 ASN A 74 10.692 8.752 -8.938 1.00 0.00 O flip ATOM 754 ND2 ASN A 74 10.005 8.388 -11.052 1.00 0.00 N flip ATOM 0 H ASN A 74 5.953 9.045 -8.458 1.00 0.00 H new ATOM 0 HA ASN A 74 8.629 8.720 -7.254 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.512 6.951 -8.883 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.688 7.969 -10.047 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.270 8.099 -11.698 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.916 8.675 -11.411 1.00 0.00 H new ATOM 899 N ALA A 86 -3.316 13.476 -9.480 1.00 0.00 N ATOM 900 CA ALA A 86 -2.959 12.129 -9.069 1.00 0.00 C ATOM 901 C ALA A 86 -1.448 11.938 -9.217 1.00 0.00 C ATOM 902 O ALA A 86 -0.999 11.028 -9.913 1.00 0.00 O ATOM 903 CB ALA A 86 -3.758 11.115 -9.890 1.00 0.00 C ATOM 0 HA ALA A 86 -3.210 11.969 -8.020 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.490 10.105 -9.581 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.824 11.273 -9.726 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.530 11.243 -10.948 1.00 0.00 H new ATOM 909 N GLU A 87 -0.705 12.811 -8.553 1.00 0.00 N ATOM 910 CA GLU A 87 0.746 12.750 -8.602 1.00 0.00 C ATOM 911 C GLU A 87 1.220 11.299 -8.503 1.00 0.00 C ATOM 912 O GLU A 87 2.283 10.954 -9.016 1.00 0.00 O ATOM 913 CB GLU A 87 1.368 13.607 -7.498 1.00 0.00 C ATOM 914 CG GLU A 87 0.777 15.018 -7.500 1.00 0.00 C ATOM 915 CD GLU A 87 1.684 15.994 -6.746 1.00 0.00 C ATOM 916 OE1 GLU A 87 2.757 16.315 -7.302 1.00 0.00 O ATOM 917 OE2 GLU A 87 1.284 16.395 -5.633 1.00 0.00 O ATOM 0 H GLU A 87 -1.081 13.565 -7.978 1.00 0.00 H new ATOM 0 HA GLU A 87 1.075 13.154 -9.559 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.196 13.138 -6.529 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.447 13.661 -7.639 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.644 15.359 -8.527 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.210 15.003 -7.039 1.00 0.00 H new ATOM 922 N TYR A 88 0.408 10.489 -7.841 1.00 0.00 N ATOM 923 CA TYR A 88 0.731 9.082 -7.668 1.00 0.00 C ATOM 924 C TYR A 88 0.050 8.228 -8.740 1.00 0.00 C ATOM 925 O TYR A 88 -0.426 8.751 -9.746 1.00 0.00 O ATOM 926 CB TYR A 88 0.183 8.689 -6.295 1.00 0.00 C ATOM 927 CG TYR A 88 0.846 9.422 -5.127 1.00 0.00 C ATOM 928 CD1 TYR A 88 0.646 10.777 -4.960 1.00 0.00 C ATOM 929 CD2 TYR A 88 1.644 8.728 -4.241 1.00 0.00 C ATOM 930 CE1 TYR A 88 1.270 11.467 -3.861 1.00 0.00 C ATOM 931 CE2 TYR A 88 2.269 9.417 -3.142 1.00 0.00 C ATOM 932 CZ TYR A 88 2.051 10.753 -3.006 1.00 0.00 C ATOM 933 OH TYR A 88 2.640 11.404 -1.968 1.00 0.00 O ATOM 0 H TYR A 88 -0.473 10.779 -7.418 1.00 0.00 H new ATOM 0 HA TYR A 88 1.806 8.922 -7.750 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.889 8.886 -6.273 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.312 7.616 -6.157 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.021 11.320 -5.654 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.800 7.667 -4.372 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.121 12.527 -3.719 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.896 8.886 -2.442 1.00 0.00 H new ATOM 0 HH TYR A 88 3.167 10.768 -1.440 1.00 0.00 H new ATOM 942 N ARG A 89 0.026 6.928 -8.487 1.00 0.00 N ATOM 943 CA ARG A 89 -0.588 5.996 -9.417 1.00 0.00 C ATOM 944 C ARG A 89 -1.082 4.752 -8.674 1.00 0.00 C ATOM 945 O ARG A 89 -0.280 3.952 -8.195 1.00 0.00 O ATOM 946 CB ARG A 89 0.400 5.572 -10.506 1.00 0.00 C ATOM 947 CG ARG A 89 -0.235 4.558 -11.458 1.00 0.00 C ATOM 948 CD ARG A 89 0.422 3.184 -11.314 1.00 0.00 C ATOM 949 NE ARG A 89 -0.504 2.128 -11.782 1.00 0.00 N ATOM 950 CZ ARG A 89 -0.763 1.874 -13.072 1.00 0.00 C ATOM 951 NH1 ARG A 89 -0.169 2.598 -14.030 1.00 0.00 N ATOM 952 NH2 ARG A 89 -1.617 0.897 -13.404 1.00 0.00 N ATOM 0 H ARG A 89 0.422 6.498 -7.651 1.00 0.00 H new ATOM 0 HA ARG A 89 -1.432 6.503 -9.885 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.726 6.448 -11.067 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.288 5.138 -10.047 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.302 4.478 -11.251 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.135 4.907 -12.486 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.346 3.151 -11.892 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.691 3.008 -10.273 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.974 1.558 -11.079 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.481 3.343 -13.778 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.366 2.404 -15.012 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.070 0.346 -12.675 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.814 0.704 -14.386 1.00 0.00 H new ATOM 963 N LEU A 90 -2.399 4.629 -8.602 1.00 0.00 N ATOM 964 CA LEU A 90 -3.009 3.497 -7.926 1.00 0.00 C ATOM 965 C LEU A 90 -2.523 2.199 -8.574 1.00 0.00 C ATOM 966 O LEU A 90 -2.650 2.020 -9.785 1.00 0.00 O ATOM 967 CB LEU A 90 -4.532 3.642 -7.907 1.00 0.00 C ATOM 968 CG LEU A 90 -5.269 3.145 -9.152 1.00 0.00 C ATOM 969 CD1 LEU A 90 -4.667 3.748 -10.423 1.00 0.00 C ATOM 970 CD2 LEU A 90 -5.295 1.616 -9.200 1.00 0.00 C ATOM 0 H LEU A 90 -3.061 5.295 -9.001 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.701 3.466 -6.881 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.918 3.103 -7.042 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.775 4.695 -7.761 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.304 3.483 -9.094 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.209 3.378 -11.293 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.744 4.835 -10.382 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.618 3.461 -10.500 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.825 1.289 -10.095 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.274 1.235 -9.223 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.805 1.233 -8.316 1.00 0.00 H new ATOM 981 N LYS A 91 -1.977 1.327 -7.740 1.00 0.00 N ATOM 982 CA LYS A 91 -1.471 0.051 -8.216 1.00 0.00 C ATOM 983 C LYS A 91 -2.336 -1.078 -7.653 1.00 0.00 C ATOM 984 O LYS A 91 -2.512 -1.184 -6.440 1.00 0.00 O ATOM 985 CB LYS A 91 0.017 -0.092 -7.889 1.00 0.00 C ATOM 986 CG LYS A 91 0.745 -0.880 -8.979 1.00 0.00 C ATOM 987 CD LYS A 91 1.109 -2.284 -8.491 1.00 0.00 C ATOM 988 CE LYS A 91 1.682 -3.129 -9.631 1.00 0.00 C ATOM 989 NZ LYS A 91 0.820 -4.305 -9.887 1.00 0.00 N ATOM 0 H LYS A 91 -1.874 1.479 -6.737 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.541 -0.005 -9.302 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.467 0.896 -7.787 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.135 -0.597 -6.930 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.113 -0.951 -9.864 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.649 -0.348 -9.275 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.838 -2.215 -7.683 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.224 -2.771 -8.081 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.762 -2.525 -10.535 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.690 -3.458 -9.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.972 -4.641 -10.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.060 -5.063 -9.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.178 -4.037 -9.765 1.00 0.00 H new ATOM 999 N GLU A 92 -2.852 -1.894 -8.560 1.00 0.00 N ATOM 1000 CA GLU A 92 -3.695 -3.011 -8.168 1.00 0.00 C ATOM 1001 C GLU A 92 -2.921 -3.964 -7.254 1.00 0.00 C ATOM 1002 O GLU A 92 -1.871 -4.478 -7.633 1.00 0.00 O ATOM 1003 CB GLU A 92 -4.234 -3.748 -9.396 1.00 0.00 C ATOM 1004 CG GLU A 92 -5.659 -3.296 -9.723 1.00 0.00 C ATOM 1005 CD GLU A 92 -6.583 -4.499 -9.926 1.00 0.00 C ATOM 1006 OE1 GLU A 92 -7.154 -4.953 -8.912 1.00 0.00 O ATOM 1007 OE2 GLU A 92 -6.696 -4.937 -11.091 1.00 0.00 O ATOM 0 H GLU A 92 -2.703 -1.804 -9.565 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.549 -2.620 -7.615 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.584 -3.562 -10.251 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.222 -4.823 -9.214 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -6.041 -2.672 -8.915 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.652 -2.682 -10.624 1.00 0.00 H new ATOM 1012 N LYS A 93 -3.472 -4.170 -6.066 1.00 0.00 N ATOM 1013 CA LYS A 93 -2.847 -5.051 -5.095 1.00 0.00 C ATOM 1014 C LYS A 93 -3.933 -5.781 -4.302 1.00 0.00 C ATOM 1015 O LYS A 93 -4.181 -5.461 -3.141 1.00 0.00 O ATOM 1016 CB LYS A 93 -1.865 -4.272 -4.218 1.00 0.00 C ATOM 1017 CG LYS A 93 -0.501 -4.145 -4.900 1.00 0.00 C ATOM 1018 CD LYS A 93 0.087 -5.524 -5.209 1.00 0.00 C ATOM 1019 CE LYS A 93 0.225 -5.735 -6.718 1.00 0.00 C ATOM 1020 NZ LYS A 93 1.439 -6.525 -7.022 1.00 0.00 N ATOM 0 H LYS A 93 -4.344 -3.742 -5.755 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.253 -5.813 -5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.266 -3.280 -4.011 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.750 -4.776 -3.258 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.603 -3.574 -5.823 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.182 -3.590 -4.256 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.063 -5.622 -4.734 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.553 -6.299 -4.787 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.656 -6.249 -7.101 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.276 -4.770 -7.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.518 -6.659 -8.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.278 -6.019 -6.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.375 -7.453 -6.556 1.00 0.00 H new ATOM 1030 N PHE A 94 -4.552 -6.749 -4.962 1.00 0.00 N ATOM 1031 CA PHE A 94 -5.606 -7.528 -4.334 1.00 0.00 C ATOM 1032 C PHE A 94 -5.031 -8.751 -3.616 1.00 0.00 C ATOM 1033 O PHE A 94 -5.109 -9.867 -4.126 1.00 0.00 O ATOM 1034 CB PHE A 94 -6.541 -7.999 -5.450 1.00 0.00 C ATOM 1035 CG PHE A 94 -5.815 -8.458 -6.716 1.00 0.00 C ATOM 1036 CD1 PHE A 94 -5.512 -7.559 -7.690 1.00 0.00 C ATOM 1037 CD2 PHE A 94 -5.474 -9.766 -6.867 1.00 0.00 C ATOM 1038 CE1 PHE A 94 -4.839 -7.986 -8.866 1.00 0.00 C ATOM 1039 CE2 PHE A 94 -4.800 -10.193 -8.042 1.00 0.00 C ATOM 1040 CZ PHE A 94 -4.497 -9.294 -9.017 1.00 0.00 C ATOM 0 H PHE A 94 -4.344 -7.012 -5.925 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.128 -6.919 -3.596 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.152 -8.820 -5.076 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -7.221 -7.187 -5.707 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -5.783 -6.520 -7.570 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.716 -10.480 -6.093 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.599 -7.272 -9.640 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -4.528 -11.231 -8.161 1.00 0.00 H new ATOM 0 HZ PHE A 94 -3.985 -9.619 -9.911 1.00 0.00 H new ATOM 1049 N PHE A 95 -4.468 -8.498 -2.444 1.00 0.00 N ATOM 1050 CA PHE A 95 -3.880 -9.565 -1.651 1.00 0.00 C ATOM 1051 C PHE A 95 -4.177 -9.369 -0.163 1.00 0.00 C ATOM 1052 O PHE A 95 -4.080 -10.311 0.622 1.00 0.00 O ATOM 1053 CB PHE A 95 -2.367 -9.503 -1.870 1.00 0.00 C ATOM 1054 CG PHE A 95 -1.738 -8.161 -1.492 1.00 0.00 C ATOM 1055 CD1 PHE A 95 -1.812 -7.711 -0.211 1.00 0.00 C ATOM 1056 CD2 PHE A 95 -1.104 -7.417 -2.438 1.00 0.00 C ATOM 1057 CE1 PHE A 95 -1.228 -6.465 0.140 1.00 0.00 C ATOM 1058 CE2 PHE A 95 -0.520 -6.171 -2.087 1.00 0.00 C ATOM 1059 CZ PHE A 95 -0.595 -5.721 -0.806 1.00 0.00 C ATOM 0 H PHE A 95 -4.406 -7.570 -2.024 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.296 -10.526 -1.953 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -1.893 -10.292 -1.286 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.153 -9.710 -2.919 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -2.315 -8.302 0.540 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -1.045 -7.774 -3.456 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -1.287 -6.108 1.158 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -0.016 -5.581 -2.838 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.152 -4.773 -0.540 1.00 0.00 H new ATOM 1068 N MET A 96 -4.532 -8.140 0.180 1.00 0.00 N ATOM 1069 CA MET A 96 -4.843 -7.808 1.560 1.00 0.00 C ATOM 1070 C MET A 96 -5.631 -8.936 2.231 1.00 0.00 C ATOM 1071 O MET A 96 -5.551 -9.117 3.445 1.00 0.00 O ATOM 1072 CB MET A 96 -5.664 -6.517 1.603 1.00 0.00 C ATOM 1073 CG MET A 96 -4.768 -5.308 1.878 1.00 0.00 C ATOM 1074 SD MET A 96 -4.427 -5.186 3.626 1.00 0.00 S ATOM 1075 CE MET A 96 -2.694 -4.760 3.575 1.00 0.00 C ATOM 0 H MET A 96 -4.611 -7.361 -0.474 1.00 0.00 H new ATOM 0 HA MET A 96 -3.906 -7.672 2.101 1.00 0.00 H new ATOM 0 HB2 MET A 96 -6.184 -6.381 0.655 1.00 0.00 H new ATOM 0 HB3 MET A 96 -6.427 -6.593 2.378 1.00 0.00 H new ATOM 0 HG2 MET A 96 -3.835 -5.403 1.323 1.00 0.00 H new ATOM 0 HG3 MET A 96 -5.255 -4.397 1.530 1.00 0.00 H new ATOM 0 HE1 MET A 96 -2.279 -4.802 4.582 1.00 0.00 H new ATOM 0 HE2 MET A 96 -2.164 -5.466 2.935 1.00 0.00 H new ATOM 0 HE3 MET A 96 -2.579 -3.752 3.177 1.00 0.00 H new ATOM 1083 N ARG A 97 -6.373 -9.665 1.410 1.00 0.00 N ATOM 1084 CA ARG A 97 -7.174 -10.770 1.909 1.00 0.00 C ATOM 1085 C ARG A 97 -6.279 -11.814 2.580 1.00 0.00 C ATOM 1086 O ARG A 97 -6.772 -12.737 3.227 1.00 0.00 O ATOM 1087 CB ARG A 97 -7.961 -11.434 0.777 1.00 0.00 C ATOM 1088 CG ARG A 97 -9.099 -12.293 1.332 1.00 0.00 C ATOM 1089 CD ARG A 97 -10.297 -12.296 0.380 1.00 0.00 C ATOM 1090 NE ARG A 97 -10.720 -13.687 0.103 1.00 0.00 N ATOM 1091 CZ ARG A 97 -11.706 -14.019 -0.742 1.00 0.00 C ATOM 1092 NH1 ARG A 97 -12.376 -13.062 -1.398 1.00 0.00 N ATOM 1093 NH2 ARG A 97 -12.021 -15.307 -0.931 1.00 0.00 N ATOM 0 H ARG A 97 -6.436 -9.512 0.403 1.00 0.00 H new ATOM 0 HA ARG A 97 -7.877 -10.368 2.638 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -8.367 -10.670 0.114 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.292 -12.052 0.178 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -8.748 -13.314 1.484 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -9.405 -11.912 2.306 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -11.123 -11.737 0.820 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -10.033 -11.795 -0.551 1.00 0.00 H new ATOM 0 HE ARG A 97 -10.230 -14.440 0.586 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -12.136 -12.081 -1.254 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -13.126 -13.314 -2.041 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -11.511 -16.035 -0.432 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -12.771 -15.559 -1.574 1.00 0.00 H new ATOM 1104 N LYS A 98 -4.978 -11.634 2.402 1.00 0.00 N ATOM 1105 CA LYS A 98 -4.010 -12.549 2.982 1.00 0.00 C ATOM 1106 C LYS A 98 -2.598 -12.010 2.742 1.00 0.00 C ATOM 1107 O LYS A 98 -1.937 -12.399 1.780 1.00 0.00 O ATOM 1108 CB LYS A 98 -4.226 -13.967 2.448 1.00 0.00 C ATOM 1109 CG LYS A 98 -3.120 -14.909 2.930 1.00 0.00 C ATOM 1110 CD LYS A 98 -3.202 -16.260 2.217 1.00 0.00 C ATOM 1111 CE LYS A 98 -2.352 -17.310 2.935 1.00 0.00 C ATOM 1112 NZ LYS A 98 -1.499 -18.036 1.967 1.00 0.00 N ATOM 0 H LYS A 98 -4.572 -10.868 1.864 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.147 -12.615 4.061 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.196 -14.340 2.778 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -4.245 -13.950 1.358 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.146 -14.456 2.747 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.206 -15.056 4.007 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.239 -16.592 2.177 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.861 -16.153 1.187 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.729 -16.829 3.689 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.999 -18.014 3.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.928 -18.745 2.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.099 -18.511 1.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.869 -17.363 1.486 1.00 0.00 H new ATOM 1122 N VAL A 99 -2.179 -11.124 3.632 1.00 0.00 N ATOM 1123 CA VAL A 99 -0.858 -10.527 3.529 1.00 0.00 C ATOM 1124 C VAL A 99 0.105 -11.267 4.460 1.00 0.00 C ATOM 1125 O VAL A 99 -0.276 -12.244 5.103 1.00 0.00 O ATOM 1126 CB VAL A 99 -0.936 -9.027 3.821 1.00 0.00 C ATOM 1127 CG1 VAL A 99 -2.043 -8.366 2.996 1.00 0.00 C ATOM 1128 CG2 VAL A 99 -1.137 -8.769 5.315 1.00 0.00 C ATOM 0 H VAL A 99 -2.731 -10.805 4.428 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.472 -10.627 2.514 1.00 0.00 H new ATOM 0 HB VAL A 99 0.014 -8.578 3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.078 -7.300 3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.838 -8.506 1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -3.002 -8.821 3.243 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.189 -7.695 5.495 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.065 -9.237 5.644 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -0.301 -9.190 5.873 1.00 0.00 H new ATOM 1138 N GLN A 100 1.334 -10.773 4.502 1.00 0.00 N ATOM 1139 CA GLN A 100 2.354 -11.376 5.344 1.00 0.00 C ATOM 1140 C GLN A 100 3.555 -10.438 5.475 1.00 0.00 C ATOM 1141 O GLN A 100 4.571 -10.626 4.807 1.00 0.00 O ATOM 1142 CB GLN A 100 2.780 -12.740 4.798 1.00 0.00 C ATOM 1143 CG GLN A 100 2.917 -13.764 5.926 1.00 0.00 C ATOM 1144 CD GLN A 100 4.380 -14.157 6.136 1.00 0.00 C ATOM 1145 OE1 GLN A 100 5.300 -13.447 5.765 1.00 0.00 O ATOM 1146 NE2 GLN A 100 4.544 -15.326 6.749 1.00 0.00 N ATOM 0 H GLN A 100 1.646 -9.963 3.967 1.00 0.00 H new ATOM 0 HA GLN A 100 1.932 -11.535 6.336 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.047 -13.090 4.072 1.00 0.00 H new ATOM 0 HB3 GLN A 100 3.730 -12.644 4.272 1.00 0.00 H new ATOM 0 HG2 GLN A 100 2.512 -13.349 6.849 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.329 -14.651 5.690 1.00 0.00 H new ATOM 0 HE21 GLN A 100 3.730 -15.871 7.034 1.00 0.00 H new ATOM 0 HE22 GLN A 100 5.483 -15.677 6.934 1.00 0.00 H new ATOM 1153 N ILE A 101 3.400 -9.447 6.341 1.00 0.00 N ATOM 1154 CA ILE A 101 4.460 -8.479 6.568 1.00 0.00 C ATOM 1155 C ILE A 101 5.564 -9.125 7.407 1.00 0.00 C ATOM 1156 O ILE A 101 5.283 -9.927 8.297 1.00 0.00 O ATOM 1157 CB ILE A 101 3.892 -7.197 7.181 1.00 0.00 C ATOM 1158 CG1 ILE A 101 5.015 -6.255 7.620 1.00 0.00 C ATOM 1159 CG2 ILE A 101 2.932 -7.516 8.328 1.00 0.00 C ATOM 1160 CD1 ILE A 101 4.852 -4.873 6.982 1.00 0.00 C ATOM 0 H ILE A 101 2.557 -9.294 6.894 1.00 0.00 H new ATOM 0 HA ILE A 101 4.912 -8.180 5.622 1.00 0.00 H new ATOM 0 HB ILE A 101 3.317 -6.678 6.414 1.00 0.00 H new ATOM 0 HG12 ILE A 101 5.012 -6.161 8.706 1.00 0.00 H new ATOM 0 HG13 ILE A 101 5.980 -6.678 7.339 1.00 0.00 H new ATOM 0 HG21 ILE A 101 2.543 -6.587 8.746 1.00 0.00 H new ATOM 0 HG22 ILE A 101 2.105 -8.120 7.953 1.00 0.00 H new ATOM 0 HG23 ILE A 101 3.463 -8.068 9.104 1.00 0.00 H new ATOM 0 HD11 ILE A 101 5.663 -4.223 7.310 1.00 0.00 H new ATOM 0 HD12 ILE A 101 4.880 -4.968 5.896 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.897 -4.443 7.284 1.00 0.00 H new ATOM 1171 N ASN A 102 6.796 -8.753 7.094 1.00 0.00 N ATOM 1172 CA ASN A 102 7.944 -9.287 7.808 1.00 0.00 C ATOM 1173 C ASN A 102 8.983 -8.179 7.995 1.00 0.00 C ATOM 1174 O ASN A 102 9.860 -7.998 7.151 1.00 0.00 O ATOM 1175 CB ASN A 102 8.600 -10.424 7.024 1.00 0.00 C ATOM 1176 CG ASN A 102 8.256 -11.783 7.637 1.00 0.00 C ATOM 1177 OD1 ASN A 102 9.272 -12.641 7.655 1.00 0.00 O flip ATOM 1178 ND2 ASN A 102 7.142 -12.036 8.065 1.00 0.00 N flip ATOM 0 H ASN A 102 7.025 -8.088 6.355 1.00 0.00 H new ATOM 0 HA ASN A 102 7.597 -9.666 8.769 1.00 0.00 H new ATOM 0 HB2 ASN A 102 8.267 -10.394 5.987 1.00 0.00 H new ATOM 0 HB3 ASN A 102 9.681 -10.288 7.016 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.406 -11.331 8.021 1.00 0.00 H new ATOM 0 HD22 ASN A 102 6.946 -12.953 8.467 1.00 0.00 H new ATOM 1184 N ASP A 103 8.850 -7.468 9.104 1.00 0.00 N ATOM 1185 CA ASP A 103 9.767 -6.383 9.412 1.00 0.00 C ATOM 1186 C ASP A 103 11.190 -6.937 9.511 1.00 0.00 C ATOM 1187 O ASP A 103 11.694 -7.171 10.608 1.00 0.00 O ATOM 1188 CB ASP A 103 9.419 -5.732 10.752 1.00 0.00 C ATOM 1189 CG ASP A 103 9.527 -6.655 11.967 1.00 0.00 C ATOM 1190 OD1 ASP A 103 8.787 -7.662 11.982 1.00 0.00 O ATOM 1191 OD2 ASP A 103 10.346 -6.332 12.854 1.00 0.00 O ATOM 0 H ASP A 103 8.121 -7.621 9.801 1.00 0.00 H new ATOM 0 HA ASP A 103 9.689 -5.640 8.619 1.00 0.00 H new ATOM 0 HB2 ASP A 103 10.077 -4.877 10.905 1.00 0.00 H new ATOM 0 HB3 ASP A 103 8.401 -5.346 10.698 1.00 0.00 H new ATOM 1195 N LYS A 104 11.798 -7.130 8.349 1.00 0.00 N ATOM 1196 CA LYS A 104 13.152 -7.652 8.291 1.00 0.00 C ATOM 1197 C LYS A 104 14.129 -6.498 8.053 1.00 0.00 C ATOM 1198 O LYS A 104 14.571 -6.277 6.927 1.00 0.00 O ATOM 1199 CB LYS A 104 13.253 -8.767 7.249 1.00 0.00 C ATOM 1200 CG LYS A 104 14.593 -9.498 7.355 1.00 0.00 C ATOM 1201 CD LYS A 104 15.032 -10.039 5.993 1.00 0.00 C ATOM 1202 CE LYS A 104 16.415 -10.686 6.080 1.00 0.00 C ATOM 1203 NZ LYS A 104 17.466 -9.718 5.692 1.00 0.00 N ATOM 0 H LYS A 104 11.377 -6.934 7.441 1.00 0.00 H new ATOM 0 HA LYS A 104 13.424 -8.111 9.242 1.00 0.00 H new ATOM 0 HB2 LYS A 104 12.436 -9.475 7.389 1.00 0.00 H new ATOM 0 HB3 LYS A 104 13.142 -8.346 6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 104 15.352 -8.819 7.742 1.00 0.00 H new ATOM 0 HG3 LYS A 104 14.508 -10.320 8.066 1.00 0.00 H new ATOM 0 HD2 LYS A 104 14.306 -10.770 5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 104 15.051 -9.228 5.265 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.595 -11.039 7.096 1.00 0.00 H new ATOM 0 HE3 LYS A 104 16.457 -11.558 5.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 18.399 -10.174 5.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 17.303 -9.401 4.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 17.436 -8.898 6.331 1.00 0.00 H new ATOM 1213 N ASP A 105 14.436 -5.792 9.132 1.00 0.00 N ATOM 1214 CA ASP A 105 15.351 -4.667 9.055 1.00 0.00 C ATOM 1215 C ASP A 105 16.219 -4.634 10.314 1.00 0.00 C ATOM 1216 O ASP A 105 16.054 -5.462 11.208 1.00 0.00 O ATOM 1217 CB ASP A 105 14.590 -3.342 8.970 1.00 0.00 C ATOM 1218 CG ASP A 105 15.314 -2.228 8.213 1.00 0.00 C ATOM 1219 OD1 ASP A 105 15.848 -2.535 7.125 1.00 0.00 O ATOM 1220 OD2 ASP A 105 15.317 -1.094 8.738 1.00 0.00 O ATOM 0 H ASP A 105 14.067 -5.978 10.064 1.00 0.00 H new ATOM 0 HA ASP A 105 15.961 -4.790 8.160 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.629 -3.523 8.489 1.00 0.00 H new ATOM 0 HB3 ASP A 105 14.380 -2.996 9.982 1.00 0.00 H new ATOM 1224 N ASP A 106 17.125 -3.667 10.344 1.00 0.00 N ATOM 1225 CA ASP A 106 18.020 -3.515 11.479 1.00 0.00 C ATOM 1226 C ASP A 106 18.333 -2.031 11.681 1.00 0.00 C ATOM 1227 O ASP A 106 19.278 -1.683 12.386 1.00 0.00 O ATOM 1228 CB ASP A 106 19.341 -4.249 11.242 1.00 0.00 C ATOM 1229 CG ASP A 106 19.521 -5.536 12.050 1.00 0.00 C ATOM 1230 OD1 ASP A 106 18.506 -6.246 12.219 1.00 0.00 O ATOM 1231 OD2 ASP A 106 20.668 -5.779 12.482 1.00 0.00 O ATOM 0 H ASP A 106 17.258 -2.981 9.601 1.00 0.00 H new ATOM 0 HA ASP A 106 17.527 -3.935 12.355 1.00 0.00 H new ATOM 0 HB2 ASP A 106 19.420 -4.490 10.182 1.00 0.00 H new ATOM 0 HB3 ASP A 106 20.162 -3.572 11.478 1.00 0.00 H new ATOM 1235 N THR A 107 17.521 -1.197 11.049 1.00 0.00 N ATOM 1236 CA THR A 107 17.699 0.242 11.150 1.00 0.00 C ATOM 1237 C THR A 107 19.068 0.568 11.750 1.00 0.00 C ATOM 1238 O THR A 107 19.977 0.993 11.038 1.00 0.00 O ATOM 1239 CB THR A 107 16.531 0.807 11.960 1.00 0.00 C ATOM 1240 OG1 THR A 107 15.995 -0.327 12.635 1.00 0.00 O ATOM 1241 CG2 THR A 107 15.382 1.289 11.071 1.00 0.00 C ATOM 0 H THR A 107 16.738 -1.490 10.465 1.00 0.00 H new ATOM 0 HA THR A 107 17.689 0.712 10.167 1.00 0.00 H new ATOM 0 HB THR A 107 16.884 1.633 12.578 1.00 0.00 H new ATOM 0 HG1 THR A 107 15.233 -0.050 13.186 1.00 0.00 H new ATOM 0 HG21 THR A 107 14.579 1.681 11.695 1.00 0.00 H new ATOM 0 HG22 THR A 107 15.741 2.075 10.406 1.00 0.00 H new ATOM 0 HG23 THR A 107 15.007 0.455 10.477 1.00 0.00 H new ATOM 1249 N ASN A 108 19.173 0.358 13.054 1.00 0.00 N ATOM 1250 CA ASN A 108 20.416 0.624 13.758 1.00 0.00 C ATOM 1251 C ASN A 108 21.596 0.352 12.822 1.00 0.00 C ATOM 1252 O ASN A 108 22.634 1.004 12.920 1.00 0.00 O ATOM 1253 CB ASN A 108 20.563 -0.284 14.980 1.00 0.00 C ATOM 1254 CG ASN A 108 20.153 0.448 16.259 1.00 0.00 C ATOM 1255 OD1 ASN A 108 19.682 1.573 16.238 1.00 0.00 O ATOM 1256 ND2 ASN A 108 20.358 -0.251 17.372 1.00 0.00 N ATOM 0 H ASN A 108 18.417 0.006 13.642 1.00 0.00 H new ATOM 0 HA ASN A 108 20.403 1.665 14.082 1.00 0.00 H new ATOM 0 HB2 ASN A 108 19.947 -1.174 14.853 1.00 0.00 H new ATOM 0 HB3 ASN A 108 21.596 -0.621 15.065 1.00 0.00 H new ATOM 0 HD21 ASN A 108 20.117 0.151 18.278 1.00 0.00 H new ATOM 0 HD22 ASN A 108 20.756 -1.189 17.319 1.00 0.00 H new ATOM 1262 N GLU A 109 21.396 -0.612 11.935 1.00 0.00 N ATOM 1263 CA GLU A 109 22.430 -0.979 10.983 1.00 0.00 C ATOM 1264 C GLU A 109 21.991 -0.624 9.561 1.00 0.00 C ATOM 1265 O GLU A 109 22.825 -0.331 8.705 1.00 0.00 O ATOM 1266 CB GLU A 109 22.777 -2.465 11.095 1.00 0.00 C ATOM 1267 CG GLU A 109 24.003 -2.807 10.246 1.00 0.00 C ATOM 1268 CD GLU A 109 25.053 -3.552 11.073 1.00 0.00 C ATOM 1269 OE1 GLU A 109 25.466 -2.985 12.108 1.00 0.00 O ATOM 1270 OE2 GLU A 109 25.418 -4.671 10.653 1.00 0.00 O ATOM 0 H GLU A 109 20.533 -1.150 11.856 1.00 0.00 H new ATOM 0 HA GLU A 109 23.331 -0.411 11.217 1.00 0.00 H new ATOM 0 HB2 GLU A 109 22.969 -2.720 12.137 1.00 0.00 H new ATOM 0 HB3 GLU A 109 21.927 -3.066 10.772 1.00 0.00 H new ATOM 0 HG2 GLU A 109 23.702 -3.420 9.397 1.00 0.00 H new ATOM 0 HG3 GLU A 109 24.436 -1.892 9.841 1.00 0.00 H new ATOM 1275 N TYR A 110 20.684 -0.663 9.352 1.00 0.00 N ATOM 1276 CA TYR A 110 20.124 -0.349 8.048 1.00 0.00 C ATOM 1277 C TYR A 110 19.414 1.006 8.068 1.00 0.00 C ATOM 1278 O TYR A 110 19.544 1.765 9.027 1.00 0.00 O ATOM 1279 CB TYR A 110 19.098 -1.445 7.754 1.00 0.00 C ATOM 1280 CG TYR A 110 19.662 -2.864 7.840 1.00 0.00 C ATOM 1281 CD1 TYR A 110 21.028 -3.065 7.848 1.00 0.00 C ATOM 1282 CD2 TYR A 110 18.806 -3.944 7.908 1.00 0.00 C ATOM 1283 CE1 TYR A 110 21.559 -4.401 7.928 1.00 0.00 C ATOM 1284 CE2 TYR A 110 19.337 -5.280 7.988 1.00 0.00 C ATOM 1285 CZ TYR A 110 20.687 -5.443 7.995 1.00 0.00 C ATOM 1286 OH TYR A 110 21.189 -6.705 8.071 1.00 0.00 O ATOM 0 H TYR A 110 19.996 -0.907 10.064 1.00 0.00 H new ATOM 0 HA TYR A 110 20.910 -0.300 7.295 1.00 0.00 H new ATOM 0 HB2 TYR A 110 18.270 -1.351 8.456 1.00 0.00 H new ATOM 0 HB3 TYR A 110 18.689 -1.287 6.756 1.00 0.00 H new ATOM 0 HD1 TYR A 110 21.698 -2.220 7.794 1.00 0.00 H new ATOM 0 HD2 TYR A 110 17.737 -3.787 7.901 1.00 0.00 H new ATOM 0 HE1 TYR A 110 22.625 -4.572 7.935 1.00 0.00 H new ATOM 0 HE2 TYR A 110 18.678 -6.134 8.041 1.00 0.00 H new ATOM 0 HH TYR A 110 20.451 -7.349 8.114 1.00 0.00 H new ATOM 1295 N LYS A 111 18.678 1.269 6.998 1.00 0.00 N ATOM 1296 CA LYS A 111 17.947 2.519 6.880 1.00 0.00 C ATOM 1297 C LYS A 111 16.642 2.417 7.671 1.00 0.00 C ATOM 1298 O LYS A 111 16.609 2.716 8.864 1.00 0.00 O ATOM 1299 CB LYS A 111 17.748 2.887 5.408 1.00 0.00 C ATOM 1300 CG LYS A 111 18.453 4.202 5.071 1.00 0.00 C ATOM 1301 CD LYS A 111 17.898 5.353 5.912 1.00 0.00 C ATOM 1302 CE LYS A 111 16.370 5.383 5.860 1.00 0.00 C ATOM 1303 NZ LYS A 111 15.900 5.466 4.459 1.00 0.00 N ATOM 0 H LYS A 111 18.572 0.637 6.204 1.00 0.00 H new ATOM 0 HA LYS A 111 18.520 3.338 7.314 1.00 0.00 H new ATOM 0 HB2 LYS A 111 18.136 2.089 4.774 1.00 0.00 H new ATOM 0 HB3 LYS A 111 16.683 2.976 5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 111 19.524 4.101 5.249 1.00 0.00 H new ATOM 0 HG3 LYS A 111 18.325 4.426 4.012 1.00 0.00 H new ATOM 0 HD2 LYS A 111 18.228 5.245 6.945 1.00 0.00 H new ATOM 0 HD3 LYS A 111 18.296 6.300 5.547 1.00 0.00 H new ATOM 0 HE2 LYS A 111 15.967 4.487 6.333 1.00 0.00 H new ATOM 0 HE3 LYS A 111 15.998 6.237 6.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 15.100 6.128 4.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 16.674 5.804 3.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 15.595 4.525 4.139 1.00 0.00 H new ATOM 1313 N HIS A 112 15.597 1.994 6.975 1.00 0.00 N ATOM 1314 CA HIS A 112 14.292 1.850 7.597 1.00 0.00 C ATOM 1315 C HIS A 112 13.310 1.240 6.595 1.00 0.00 C ATOM 1316 O HIS A 112 12.475 1.945 6.031 1.00 0.00 O ATOM 1317 CB HIS A 112 13.808 3.187 8.162 1.00 0.00 C ATOM 1318 CG HIS A 112 13.003 3.061 9.434 1.00 0.00 C ATOM 1319 ND1 HIS A 112 12.042 2.082 9.619 1.00 0.00 N ATOM 1320 CD2 HIS A 112 13.027 3.800 10.580 1.00 0.00 C ATOM 1321 CE1 HIS A 112 11.517 2.235 10.826 1.00 0.00 C ATOM 1322 NE2 HIS A 112 12.128 3.300 11.420 1.00 0.00 N ATOM 0 H HIS A 112 15.628 1.746 5.986 1.00 0.00 H new ATOM 0 HA HIS A 112 14.363 1.168 8.445 1.00 0.00 H new ATOM 0 HB2 HIS A 112 14.672 3.823 8.353 1.00 0.00 H new ATOM 0 HB3 HIS A 112 13.202 3.690 7.409 1.00 0.00 H new ATOM 0 HD2 HIS A 112 13.668 4.648 10.772 1.00 0.00 H new ATOM 0 HE1 HIS A 112 10.741 1.624 11.263 1.00 0.00 H new ATOM 0 HE2 HIS A 112 11.927 3.654 12.355 1.00 0.00 H new ATOM 1329 N ALA A 113 13.443 -0.064 6.404 1.00 0.00 N ATOM 1330 CA ALA A 113 12.578 -0.777 5.479 1.00 0.00 C ATOM 1331 C ALA A 113 12.581 -2.267 5.829 1.00 0.00 C ATOM 1332 O ALA A 113 13.518 -2.758 6.457 1.00 0.00 O ATOM 1333 CB ALA A 113 13.037 -0.514 4.044 1.00 0.00 C ATOM 0 H ALA A 113 14.137 -0.646 6.874 1.00 0.00 H new ATOM 0 HA ALA A 113 11.551 -0.421 5.563 1.00 0.00 H new ATOM 0 HB1 ALA A 113 12.388 -1.049 3.351 1.00 0.00 H new ATOM 0 HB2 ALA A 113 12.987 0.555 3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 113 14.063 -0.860 3.921 1.00 0.00 H new ATOM 1339 N PHE A 114 11.523 -2.944 5.408 1.00 0.00 N ATOM 1340 CA PHE A 114 11.393 -4.367 5.669 1.00 0.00 C ATOM 1341 C PHE A 114 10.787 -5.092 4.466 1.00 0.00 C ATOM 1342 O PHE A 114 10.427 -4.461 3.473 1.00 0.00 O ATOM 1343 CB PHE A 114 10.453 -4.518 6.867 1.00 0.00 C ATOM 1344 CG PHE A 114 9.601 -3.279 7.149 1.00 0.00 C ATOM 1345 CD1 PHE A 114 8.690 -2.857 6.232 1.00 0.00 C ATOM 1346 CD2 PHE A 114 9.755 -2.600 8.317 1.00 0.00 C ATOM 1347 CE1 PHE A 114 7.900 -1.707 6.494 1.00 0.00 C ATOM 1348 CE2 PHE A 114 8.964 -1.450 8.579 1.00 0.00 C ATOM 1349 CZ PHE A 114 8.053 -1.028 7.662 1.00 0.00 C ATOM 0 H PHE A 114 10.748 -2.533 4.888 1.00 0.00 H new ATOM 0 HA PHE A 114 12.374 -4.801 5.864 1.00 0.00 H new ATOM 0 HB2 PHE A 114 9.793 -5.368 6.693 1.00 0.00 H new ATOM 0 HB3 PHE A 114 11.044 -4.749 7.753 1.00 0.00 H new ATOM 0 HD1 PHE A 114 8.567 -3.397 5.305 1.00 0.00 H new ATOM 0 HD2 PHE A 114 10.479 -2.935 9.045 1.00 0.00 H new ATOM 0 HE1 PHE A 114 7.177 -1.371 5.765 1.00 0.00 H new ATOM 0 HE2 PHE A 114 9.086 -0.911 9.507 1.00 0.00 H new ATOM 0 HZ PHE A 114 7.451 -0.154 7.861 1.00 0.00 H new ATOM 1358 N GLU A 115 10.693 -6.407 4.593 1.00 0.00 N ATOM 1359 CA GLU A 115 10.136 -7.225 3.529 1.00 0.00 C ATOM 1360 C GLU A 115 8.649 -7.483 3.780 1.00 0.00 C ATOM 1361 O GLU A 115 8.255 -7.836 4.890 1.00 0.00 O ATOM 1362 CB GLU A 115 10.905 -8.540 3.389 1.00 0.00 C ATOM 1363 CG GLU A 115 10.662 -9.448 4.596 1.00 0.00 C ATOM 1364 CD GLU A 115 10.133 -10.815 4.156 1.00 0.00 C ATOM 1365 OE1 GLU A 115 9.510 -10.861 3.074 1.00 0.00 O ATOM 1366 OE2 GLU A 115 10.363 -11.783 4.913 1.00 0.00 O ATOM 0 H GLU A 115 10.993 -6.927 5.417 1.00 0.00 H new ATOM 0 HA GLU A 115 10.236 -6.682 2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 115 10.596 -9.051 2.477 1.00 0.00 H new ATOM 0 HB3 GLU A 115 11.971 -8.334 3.293 1.00 0.00 H new ATOM 0 HG2 GLU A 115 11.590 -9.575 5.153 1.00 0.00 H new ATOM 0 HG3 GLU A 115 9.947 -8.978 5.271 1.00 0.00 H new ATOM 1371 N ILE A 116 7.863 -7.296 2.729 1.00 0.00 N ATOM 1372 CA ILE A 116 6.428 -7.504 2.822 1.00 0.00 C ATOM 1373 C ILE A 116 6.024 -8.658 1.902 1.00 0.00 C ATOM 1374 O ILE A 116 6.178 -8.569 0.685 1.00 0.00 O ATOM 1375 CB ILE A 116 5.679 -6.201 2.539 1.00 0.00 C ATOM 1376 CG1 ILE A 116 6.570 -4.986 2.806 1.00 0.00 C ATOM 1377 CG2 ILE A 116 4.371 -6.137 3.332 1.00 0.00 C ATOM 1378 CD1 ILE A 116 6.930 -4.886 4.290 1.00 0.00 C ATOM 0 H ILE A 116 8.193 -7.003 1.809 1.00 0.00 H new ATOM 0 HA ILE A 116 6.149 -7.791 3.836 1.00 0.00 H new ATOM 0 HB ILE A 116 5.417 -6.182 1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 116 7.480 -5.060 2.211 1.00 0.00 H new ATOM 0 HG13 ILE A 116 6.057 -4.078 2.491 1.00 0.00 H new ATOM 0 HG21 ILE A 116 3.858 -5.201 3.113 1.00 0.00 H new ATOM 0 HG22 ILE A 116 3.733 -6.975 3.050 1.00 0.00 H new ATOM 0 HG23 ILE A 116 4.589 -6.190 4.399 1.00 0.00 H new ATOM 0 HD11 ILE A 116 7.564 -4.014 4.453 1.00 0.00 H new ATOM 0 HD12 ILE A 116 6.019 -4.787 4.880 1.00 0.00 H new ATOM 0 HD13 ILE A 116 7.465 -5.785 4.596 1.00 0.00 H new ATOM 1389 N ILE A 117 5.515 -9.714 2.519 1.00 0.00 N ATOM 1390 CA ILE A 117 5.088 -10.884 1.770 1.00 0.00 C ATOM 1391 C ILE A 117 3.563 -10.875 1.645 1.00 0.00 C ATOM 1392 O ILE A 117 2.864 -11.429 2.491 1.00 0.00 O ATOM 1393 CB ILE A 117 5.645 -12.159 2.406 1.00 0.00 C ATOM 1394 CG1 ILE A 117 7.152 -12.277 2.169 1.00 0.00 C ATOM 1395 CG2 ILE A 117 4.889 -13.394 1.910 1.00 0.00 C ATOM 1396 CD1 ILE A 117 7.829 -13.035 3.313 1.00 0.00 C ATOM 0 H ILE A 117 5.389 -9.784 3.529 1.00 0.00 H new ATOM 0 HA ILE A 117 5.492 -10.857 0.758 1.00 0.00 H new ATOM 0 HB ILE A 117 5.492 -12.098 3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 117 7.336 -12.793 1.227 1.00 0.00 H new ATOM 0 HG13 ILE A 117 7.589 -11.282 2.078 1.00 0.00 H new ATOM 0 HG21 ILE A 117 5.304 -14.287 2.377 1.00 0.00 H new ATOM 0 HG22 ILE A 117 3.835 -13.305 2.172 1.00 0.00 H new ATOM 0 HG23 ILE A 117 4.989 -13.471 0.827 1.00 0.00 H new ATOM 0 HD11 ILE A 117 8.899 -13.105 3.120 1.00 0.00 H new ATOM 0 HD12 ILE A 117 7.663 -12.503 4.250 1.00 0.00 H new ATOM 0 HD13 ILE A 117 7.407 -14.037 3.385 1.00 0.00 H new ATOM 1407 N LEU A 118 3.093 -10.239 0.582 1.00 0.00 N ATOM 1408 CA LEU A 118 1.664 -10.150 0.335 1.00 0.00 C ATOM 1409 C LEU A 118 1.220 -11.351 -0.503 1.00 0.00 C ATOM 1410 O LEU A 118 2.048 -12.033 -1.104 1.00 0.00 O ATOM 1411 CB LEU A 118 1.311 -8.800 -0.292 1.00 0.00 C ATOM 1412 CG LEU A 118 1.951 -8.503 -1.650 1.00 0.00 C ATOM 1413 CD1 LEU A 118 1.192 -9.203 -2.779 1.00 0.00 C ATOM 1414 CD2 LEU A 118 2.065 -6.995 -1.885 1.00 0.00 C ATOM 0 H LEU A 118 3.676 -9.780 -0.118 1.00 0.00 H new ATOM 0 HA LEU A 118 1.112 -10.193 1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 118 0.228 -8.746 -0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.600 -8.012 0.404 1.00 0.00 H new ATOM 0 HG LEU A 118 2.964 -8.906 -1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 118 1.668 -8.975 -3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 118 1.207 -10.280 -2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.160 -8.853 -2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 118 2.523 -6.812 -2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.072 -6.547 -1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 118 2.682 -6.551 -1.104 1.00 0.00 H new ATOM 1425 N LYS A 119 -0.086 -11.574 -0.514 1.00 0.00 N ATOM 1426 CA LYS A 119 -0.650 -12.681 -1.267 1.00 0.00 C ATOM 1427 C LYS A 119 -0.111 -12.645 -2.699 1.00 0.00 C ATOM 1428 O LYS A 119 0.742 -11.821 -3.024 1.00 0.00 O ATOM 1429 CB LYS A 119 -2.178 -12.662 -1.185 1.00 0.00 C ATOM 1430 CG LYS A 119 -2.743 -14.084 -1.146 1.00 0.00 C ATOM 1431 CD LYS A 119 -3.954 -14.218 -2.071 1.00 0.00 C ATOM 1432 CE LYS A 119 -5.112 -14.919 -1.360 1.00 0.00 C ATOM 1433 NZ LYS A 119 -5.618 -16.045 -2.177 1.00 0.00 N ATOM 0 H LYS A 119 -0.770 -11.007 -0.013 1.00 0.00 H new ATOM 0 HA LYS A 119 -0.342 -13.632 -0.833 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -2.491 -12.118 -0.294 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -2.585 -12.128 -2.044 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -1.972 -14.794 -1.445 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.031 -14.337 -0.126 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.272 -13.230 -2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.675 -14.781 -2.962 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.781 -15.287 -0.389 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.916 -14.207 -1.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -6.404 -16.510 -1.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.953 -15.686 -3.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -4.853 -16.732 -2.333 1.00 0.00 H new ATOM 1443 N ASP A 120 -0.631 -13.549 -3.516 1.00 0.00 N ATOM 1444 CA ASP A 120 -0.213 -13.632 -4.905 1.00 0.00 C ATOM 1445 C ASP A 120 1.290 -13.913 -4.964 1.00 0.00 C ATOM 1446 O ASP A 120 1.912 -13.763 -6.015 1.00 0.00 O ATOM 1447 CB ASP A 120 -0.477 -12.316 -5.638 1.00 0.00 C ATOM 1448 CG ASP A 120 -0.630 -12.440 -7.156 1.00 0.00 C ATOM 1449 OD1 ASP A 120 -0.826 -13.587 -7.614 1.00 0.00 O ATOM 1450 OD2 ASP A 120 -0.546 -11.387 -7.823 1.00 0.00 O ATOM 0 H ASP A 120 -1.339 -14.231 -3.242 1.00 0.00 H new ATOM 0 HA ASP A 120 -0.781 -14.431 -5.382 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -1.384 -11.867 -5.232 1.00 0.00 H new ATOM 0 HB3 ASP A 120 0.342 -11.629 -5.425 1.00 0.00 H new ATOM 1454 N GLU A 121 1.830 -14.315 -3.823 1.00 0.00 N ATOM 1455 CA GLU A 121 3.248 -14.618 -3.732 1.00 0.00 C ATOM 1456 C GLU A 121 4.074 -13.475 -4.325 1.00 0.00 C ATOM 1457 O GLU A 121 4.535 -13.562 -5.462 1.00 0.00 O ATOM 1458 CB GLU A 121 3.571 -15.944 -4.425 1.00 0.00 C ATOM 1459 CG GLU A 121 5.003 -16.388 -4.119 1.00 0.00 C ATOM 1460 CD GLU A 121 5.838 -16.463 -5.399 1.00 0.00 C ATOM 1461 OE1 GLU A 121 5.408 -17.196 -6.315 1.00 0.00 O ATOM 1462 OE2 GLU A 121 6.887 -15.785 -5.432 1.00 0.00 O ATOM 0 H GLU A 121 1.311 -14.438 -2.954 1.00 0.00 H new ATOM 0 HA GLU A 121 3.510 -14.722 -2.679 1.00 0.00 H new ATOM 0 HB2 GLU A 121 2.870 -16.711 -4.095 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.442 -15.836 -5.502 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.463 -15.689 -3.421 1.00 0.00 H new ATOM 0 HG3 GLU A 121 4.989 -17.363 -3.632 1.00 0.00 H new ATOM 1467 N ASN A 122 4.237 -12.430 -3.528 1.00 0.00 N ATOM 1468 CA ASN A 122 5.000 -11.271 -3.959 1.00 0.00 C ATOM 1469 C ASN A 122 5.610 -10.583 -2.736 1.00 0.00 C ATOM 1470 O ASN A 122 4.902 -10.258 -1.785 1.00 0.00 O ATOM 1471 CB ASN A 122 4.104 -10.257 -4.674 1.00 0.00 C ATOM 1472 CG ASN A 122 4.705 -9.849 -6.021 1.00 0.00 C ATOM 1473 OD1 ASN A 122 5.693 -9.138 -6.099 1.00 0.00 O ATOM 1474 ND2 ASN A 122 4.054 -10.336 -7.073 1.00 0.00 N ATOM 0 H ASN A 122 3.854 -12.361 -2.585 1.00 0.00 H new ATOM 0 HA ASN A 122 5.776 -11.614 -4.644 1.00 0.00 H new ATOM 0 HB2 ASN A 122 3.114 -10.686 -4.828 1.00 0.00 H new ATOM 0 HB3 ASN A 122 3.975 -9.375 -4.047 1.00 0.00 H new ATOM 0 HD21 ASN A 122 4.376 -10.120 -8.017 1.00 0.00 H new ATOM 0 HD22 ASN A 122 3.233 -10.926 -6.937 1.00 0.00 H new ATOM 1480 N SER A 123 6.918 -10.382 -2.801 1.00 0.00 N ATOM 1481 CA SER A 123 7.632 -9.739 -1.711 1.00 0.00 C ATOM 1482 C SER A 123 7.932 -8.283 -2.070 1.00 0.00 C ATOM 1483 O SER A 123 8.260 -7.976 -3.215 1.00 0.00 O ATOM 1484 CB SER A 123 8.928 -10.484 -1.386 1.00 0.00 C ATOM 1485 OG SER A 123 10.074 -9.809 -1.897 1.00 0.00 O ATOM 0 H SER A 123 7.502 -10.653 -3.592 1.00 0.00 H new ATOM 0 HA SER A 123 6.998 -9.765 -0.824 1.00 0.00 H new ATOM 0 HB2 SER A 123 9.023 -10.592 -0.306 1.00 0.00 H new ATOM 0 HB3 SER A 123 8.883 -11.490 -1.804 1.00 0.00 H new ATOM 0 HG SER A 123 10.881 -10.315 -1.668 1.00 0.00 H new ATOM 1490 N VAL A 124 7.809 -7.423 -1.069 1.00 0.00 N ATOM 1491 CA VAL A 124 8.064 -6.006 -1.264 1.00 0.00 C ATOM 1492 C VAL A 124 9.108 -5.535 -0.250 1.00 0.00 C ATOM 1493 O VAL A 124 9.577 -6.319 0.573 1.00 0.00 O ATOM 1494 CB VAL A 124 6.752 -5.222 -1.180 1.00 0.00 C ATOM 1495 CG1 VAL A 124 6.756 -4.041 -2.152 1.00 0.00 C ATOM 1496 CG2 VAL A 124 5.551 -6.135 -1.432 1.00 0.00 C ATOM 0 H VAL A 124 7.536 -7.681 -0.121 1.00 0.00 H new ATOM 0 HA VAL A 124 8.473 -5.825 -2.258 1.00 0.00 H new ATOM 0 HB VAL A 124 6.664 -4.824 -0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 124 5.813 -3.501 -2.072 1.00 0.00 H new ATOM 0 HG12 VAL A 124 7.580 -3.371 -1.907 1.00 0.00 H new ATOM 0 HG13 VAL A 124 6.879 -4.409 -3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 124 4.632 -5.553 -1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 124 5.631 -6.576 -2.426 1.00 0.00 H new ATOM 0 HG23 VAL A 124 5.533 -6.927 -0.684 1.00 0.00 H new ATOM 1506 N ILE A 125 9.440 -4.255 -0.342 1.00 0.00 N ATOM 1507 CA ILE A 125 10.420 -3.670 0.558 1.00 0.00 C ATOM 1508 C ILE A 125 9.956 -2.272 0.971 1.00 0.00 C ATOM 1509 O ILE A 125 10.406 -1.274 0.409 1.00 0.00 O ATOM 1510 CB ILE A 125 11.812 -3.694 -0.077 1.00 0.00 C ATOM 1511 CG1 ILE A 125 12.173 -5.103 -0.554 1.00 0.00 C ATOM 1512 CG2 ILE A 125 12.861 -3.127 0.881 1.00 0.00 C ATOM 1513 CD1 ILE A 125 13.539 -5.115 -1.242 1.00 0.00 C ATOM 0 H ILE A 125 9.048 -3.607 -1.025 1.00 0.00 H new ATOM 0 HA ILE A 125 10.501 -4.262 1.470 1.00 0.00 H new ATOM 0 HB ILE A 125 11.798 -3.050 -0.956 1.00 0.00 H new ATOM 0 HG12 ILE A 125 12.183 -5.787 0.295 1.00 0.00 H new ATOM 0 HG13 ILE A 125 11.411 -5.464 -1.245 1.00 0.00 H new ATOM 0 HG21 ILE A 125 13.841 -3.156 0.405 1.00 0.00 H new ATOM 0 HG22 ILE A 125 12.608 -2.096 1.129 1.00 0.00 H new ATOM 0 HG23 ILE A 125 12.882 -3.725 1.792 1.00 0.00 H new ATOM 0 HD11 ILE A 125 13.772 -6.128 -1.571 1.00 0.00 H new ATOM 0 HD12 ILE A 125 13.518 -4.449 -2.104 1.00 0.00 H new ATOM 0 HD13 ILE A 125 14.302 -4.777 -0.541 1.00 0.00 H new ATOM 1524 N PHE A 126 9.062 -2.244 1.948 1.00 0.00 N ATOM 1525 CA PHE A 126 8.533 -0.984 2.442 1.00 0.00 C ATOM 1526 C PHE A 126 9.577 -0.241 3.277 1.00 0.00 C ATOM 1527 O PHE A 126 10.510 -0.850 3.798 1.00 0.00 O ATOM 1528 CB PHE A 126 7.333 -1.321 3.330 1.00 0.00 C ATOM 1529 CG PHE A 126 6.079 -1.726 2.553 1.00 0.00 C ATOM 1530 CD1 PHE A 126 6.079 -1.689 1.194 1.00 0.00 C ATOM 1531 CD2 PHE A 126 4.963 -2.124 3.222 1.00 0.00 C ATOM 1532 CE1 PHE A 126 4.915 -2.065 0.473 1.00 0.00 C ATOM 1533 CE2 PHE A 126 3.799 -2.500 2.501 1.00 0.00 C ATOM 1534 CZ PHE A 126 3.799 -2.462 1.142 1.00 0.00 C ATOM 0 H PHE A 126 8.690 -3.074 2.411 1.00 0.00 H new ATOM 0 HA PHE A 126 8.254 -0.344 1.605 1.00 0.00 H new ATOM 0 HB2 PHE A 126 7.609 -2.133 4.003 1.00 0.00 H new ATOM 0 HB3 PHE A 126 7.100 -0.456 3.951 1.00 0.00 H new ATOM 0 HD1 PHE A 126 6.965 -1.373 0.663 1.00 0.00 H new ATOM 0 HD2 PHE A 126 4.963 -2.154 4.302 1.00 0.00 H new ATOM 0 HE1 PHE A 126 4.916 -2.036 -0.607 1.00 0.00 H new ATOM 0 HE2 PHE A 126 2.913 -2.816 3.032 1.00 0.00 H new ATOM 0 HZ PHE A 126 2.913 -2.747 0.594 1.00 0.00 H new ATOM 1543 N SER A 127 9.385 1.067 3.379 1.00 0.00 N ATOM 1544 CA SER A 127 10.299 1.900 4.142 1.00 0.00 C ATOM 1545 C SER A 127 9.513 2.941 4.941 1.00 0.00 C ATOM 1546 O SER A 127 9.027 3.923 4.381 1.00 0.00 O ATOM 1547 CB SER A 127 11.312 2.588 3.225 1.00 0.00 C ATOM 1548 OG SER A 127 12.629 2.559 3.768 1.00 0.00 O ATOM 0 H SER A 127 8.610 1.570 2.946 1.00 0.00 H new ATOM 0 HA SER A 127 10.850 1.261 4.832 1.00 0.00 H new ATOM 0 HB2 SER A 127 11.310 2.098 2.251 1.00 0.00 H new ATOM 0 HB3 SER A 127 11.010 3.622 3.062 1.00 0.00 H new ATOM 0 HG SER A 127 12.590 2.737 4.731 1.00 0.00 H new ATOM 1553 N ALA A 128 9.413 2.692 6.239 1.00 0.00 N ATOM 1554 CA ALA A 128 8.695 3.596 7.121 1.00 0.00 C ATOM 1555 C ALA A 128 9.700 4.402 7.947 1.00 0.00 C ATOM 1556 O ALA A 128 10.856 4.005 8.083 1.00 0.00 O ATOM 1557 CB ALA A 128 7.730 2.795 7.997 1.00 0.00 C ATOM 0 H ALA A 128 9.817 1.877 6.701 1.00 0.00 H new ATOM 0 HA ALA A 128 8.100 4.304 6.543 1.00 0.00 H new ATOM 0 HB1 ALA A 128 7.191 3.473 8.659 1.00 0.00 H new ATOM 0 HB2 ALA A 128 7.019 2.265 7.364 1.00 0.00 H new ATOM 0 HB3 ALA A 128 8.292 2.076 8.593 1.00 0.00 H new ATOM 1563 N LYS A 129 9.223 5.519 8.476 1.00 0.00 N ATOM 1564 CA LYS A 129 10.065 6.383 9.285 1.00 0.00 C ATOM 1565 C LYS A 129 9.324 6.752 10.572 1.00 0.00 C ATOM 1566 O LYS A 129 9.793 7.585 11.345 1.00 0.00 O ATOM 1567 CB LYS A 129 10.525 7.595 8.472 1.00 0.00 C ATOM 1568 CG LYS A 129 9.353 8.532 8.173 1.00 0.00 C ATOM 1569 CD LYS A 129 9.677 9.457 6.998 1.00 0.00 C ATOM 1570 CE LYS A 129 8.396 9.969 6.335 1.00 0.00 C ATOM 1571 NZ LYS A 129 8.711 10.662 5.066 1.00 0.00 N ATOM 0 H LYS A 129 8.264 5.846 8.360 1.00 0.00 H new ATOM 0 HA LYS A 129 10.975 5.860 9.580 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.296 8.135 9.022 1.00 0.00 H new ATOM 0 HB3 LYS A 129 10.975 7.261 7.537 1.00 0.00 H new ATOM 0 HG2 LYS A 129 8.463 7.946 7.944 1.00 0.00 H new ATOM 0 HG3 LYS A 129 9.124 9.127 9.057 1.00 0.00 H new ATOM 0 HD2 LYS A 129 10.272 10.301 7.348 1.00 0.00 H new ATOM 0 HD3 LYS A 129 10.282 8.922 6.265 1.00 0.00 H new ATOM 0 HE2 LYS A 129 7.721 9.135 6.143 1.00 0.00 H new ATOM 0 HE3 LYS A 129 7.878 10.650 7.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 7.831 11.003 4.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 9.338 11.469 5.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 9.186 10.001 4.418 1.00 0.00 H new ATOM 1581 N SER A 130 8.179 6.112 10.761 1.00 0.00 N ATOM 1582 CA SER A 130 7.369 6.362 11.941 1.00 0.00 C ATOM 1583 C SER A 130 7.178 5.064 12.729 1.00 0.00 C ATOM 1584 O SER A 130 6.487 4.154 12.275 1.00 0.00 O ATOM 1585 CB SER A 130 6.011 6.957 11.561 1.00 0.00 C ATOM 1586 OG SER A 130 6.041 8.381 11.536 1.00 0.00 O ATOM 0 H SER A 130 7.793 5.421 10.117 1.00 0.00 H new ATOM 0 HA SER A 130 7.890 7.086 12.567 1.00 0.00 H new ATOM 0 HB2 SER A 130 5.713 6.583 10.581 1.00 0.00 H new ATOM 0 HB3 SER A 130 5.257 6.623 12.273 1.00 0.00 H new ATOM 0 HG SER A 130 5.157 8.723 11.288 1.00 0.00 H new ATOM 1591 N ALA A 131 7.803 5.021 13.897 1.00 0.00 N ATOM 1592 CA ALA A 131 7.710 3.850 14.752 1.00 0.00 C ATOM 1593 C ALA A 131 6.268 3.339 14.756 1.00 0.00 C ATOM 1594 O ALA A 131 6.033 2.132 14.799 1.00 0.00 O ATOM 1595 CB ALA A 131 8.207 4.202 16.156 1.00 0.00 C ATOM 0 H ALA A 131 8.375 5.778 14.271 1.00 0.00 H new ATOM 0 HA ALA A 131 8.343 3.048 14.373 1.00 0.00 H new ATOM 0 HB1 ALA A 131 8.137 3.324 16.798 1.00 0.00 H new ATOM 0 HB2 ALA A 131 9.245 4.531 16.103 1.00 0.00 H new ATOM 0 HB3 ALA A 131 7.593 5.003 16.569 1.00 0.00 H new ATOM 1601 N GLU A 132 5.339 4.283 14.710 1.00 0.00 N ATOM 1602 CA GLU A 132 3.927 3.943 14.707 1.00 0.00 C ATOM 1603 C GLU A 132 3.524 3.357 13.352 1.00 0.00 C ATOM 1604 O GLU A 132 2.833 2.341 13.292 1.00 0.00 O ATOM 1605 CB GLU A 132 3.069 5.162 15.053 1.00 0.00 C ATOM 1606 CG GLU A 132 2.354 4.967 16.392 1.00 0.00 C ATOM 1607 CD GLU A 132 0.881 4.612 16.180 1.00 0.00 C ATOM 1608 OE1 GLU A 132 0.170 5.462 15.602 1.00 0.00 O ATOM 1609 OE2 GLU A 132 0.500 3.498 16.601 1.00 0.00 O ATOM 0 H GLU A 132 5.537 5.283 14.675 1.00 0.00 H new ATOM 0 HA GLU A 132 3.754 3.188 15.474 1.00 0.00 H new ATOM 0 HB2 GLU A 132 3.697 6.052 15.098 1.00 0.00 H new ATOM 0 HB3 GLU A 132 2.334 5.330 14.265 1.00 0.00 H new ATOM 0 HG2 GLU A 132 2.845 4.176 16.959 1.00 0.00 H new ATOM 0 HG3 GLU A 132 2.431 5.878 16.985 1.00 0.00 H new ATOM 1614 N GLU A 133 3.975 4.021 12.298 1.00 0.00 N ATOM 1615 CA GLU A 133 3.671 3.578 10.948 1.00 0.00 C ATOM 1616 C GLU A 133 4.193 2.157 10.725 1.00 0.00 C ATOM 1617 O GLU A 133 3.499 1.320 10.150 1.00 0.00 O ATOM 1618 CB GLU A 133 4.248 4.543 9.911 1.00 0.00 C ATOM 1619 CG GLU A 133 3.542 5.900 9.972 1.00 0.00 C ATOM 1620 CD GLU A 133 2.120 5.803 9.417 1.00 0.00 C ATOM 1621 OE1 GLU A 133 1.684 4.658 9.169 1.00 0.00 O ATOM 1622 OE2 GLU A 133 1.500 6.876 9.253 1.00 0.00 O ATOM 0 H GLU A 133 4.549 4.863 12.352 1.00 0.00 H new ATOM 0 HA GLU A 133 2.588 3.570 10.825 1.00 0.00 H new ATOM 0 HB2 GLU A 133 5.315 4.676 10.087 1.00 0.00 H new ATOM 0 HB3 GLU A 133 4.140 4.117 8.913 1.00 0.00 H new ATOM 0 HG2 GLU A 133 3.511 6.252 11.003 1.00 0.00 H new ATOM 0 HG3 GLU A 133 4.110 6.635 9.402 1.00 0.00 H new ATOM 1627 N LYS A 134 5.412 1.929 11.192 1.00 0.00 N ATOM 1628 CA LYS A 134 6.035 0.624 11.051 1.00 0.00 C ATOM 1629 C LYS A 134 5.156 -0.432 11.723 1.00 0.00 C ATOM 1630 O LYS A 134 4.994 -1.534 11.201 1.00 0.00 O ATOM 1631 CB LYS A 134 7.471 0.656 11.580 1.00 0.00 C ATOM 1632 CG LYS A 134 7.536 0.143 13.019 1.00 0.00 C ATOM 1633 CD LYS A 134 7.700 -1.378 13.052 1.00 0.00 C ATOM 1634 CE LYS A 134 7.820 -1.886 14.491 1.00 0.00 C ATOM 1635 NZ LYS A 134 9.240 -2.089 14.852 1.00 0.00 N ATOM 0 H LYS A 134 5.985 2.626 11.668 1.00 0.00 H new ATOM 0 HA LYS A 134 6.113 0.351 9.999 1.00 0.00 H new ATOM 0 HB2 LYS A 134 8.111 0.045 10.943 1.00 0.00 H new ATOM 0 HB3 LYS A 134 7.856 1.675 11.535 1.00 0.00 H new ATOM 0 HG2 LYS A 134 8.370 0.614 13.539 1.00 0.00 H new ATOM 0 HG3 LYS A 134 6.628 0.426 13.551 1.00 0.00 H new ATOM 0 HD2 LYS A 134 6.846 -1.850 12.566 1.00 0.00 H new ATOM 0 HD3 LYS A 134 8.587 -1.664 12.486 1.00 0.00 H new ATOM 0 HE2 LYS A 134 7.364 -1.170 15.175 1.00 0.00 H new ATOM 0 HE3 LYS A 134 7.274 -2.823 14.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 9.303 -2.434 15.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 9.665 -2.789 14.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 9.752 -1.187 14.769 1.00 0.00 H new ATOM 1645 N ASN A 135 4.610 -0.058 12.871 1.00 0.00 N ATOM 1646 CA ASN A 135 3.751 -0.959 13.620 1.00 0.00 C ATOM 1647 C ASN A 135 2.366 -0.994 12.970 1.00 0.00 C ATOM 1648 O ASN A 135 1.752 -2.055 12.865 1.00 0.00 O ATOM 1649 CB ASN A 135 3.583 -0.487 15.065 1.00 0.00 C ATOM 1650 CG ASN A 135 3.207 -1.652 15.983 1.00 0.00 C ATOM 1651 OD1 ASN A 135 2.048 -1.902 16.268 1.00 0.00 O ATOM 1652 ND2 ASN A 135 4.250 -2.347 16.428 1.00 0.00 N ATOM 0 H ASN A 135 4.746 0.857 13.301 1.00 0.00 H new ATOM 0 HA ASN A 135 4.213 -1.946 13.615 1.00 0.00 H new ATOM 0 HB2 ASN A 135 4.510 -0.031 15.412 1.00 0.00 H new ATOM 0 HB3 ASN A 135 2.812 0.282 15.113 1.00 0.00 H new ATOM 0 HD21 ASN A 135 4.105 -3.144 17.048 1.00 0.00 H new ATOM 0 HD22 ASN A 135 5.195 -2.083 16.150 1.00 0.00 H new ATOM 1658 N ASN A 136 1.914 0.179 12.551 1.00 0.00 N ATOM 1659 CA ASN A 136 0.613 0.296 11.914 1.00 0.00 C ATOM 1660 C ASN A 136 0.705 -0.220 10.477 1.00 0.00 C ATOM 1661 O ASN A 136 -0.312 -0.529 9.858 1.00 0.00 O ATOM 1662 CB ASN A 136 0.154 1.754 11.864 1.00 0.00 C ATOM 1663 CG ASN A 136 -1.133 1.952 12.668 1.00 0.00 C ATOM 1664 OD1 ASN A 136 -2.210 1.531 12.279 1.00 0.00 O ATOM 1665 ND2 ASN A 136 -0.962 2.613 13.809 1.00 0.00 N ATOM 0 H ASN A 136 2.426 1.057 12.640 1.00 0.00 H new ATOM 0 HA ASN A 136 -0.101 -0.287 12.496 1.00 0.00 H new ATOM 0 HB2 ASN A 136 0.938 2.399 12.261 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -0.010 2.052 10.828 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -1.760 2.795 14.418 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -0.033 2.938 14.076 1.00 0.00 H new ATOM 1671 N TRP A 137 1.934 -0.298 9.987 1.00 0.00 N ATOM 1672 CA TRP A 137 2.172 -0.771 8.634 1.00 0.00 C ATOM 1673 C TRP A 137 2.065 -2.298 8.642 1.00 0.00 C ATOM 1674 O TRP A 137 1.443 -2.884 7.757 1.00 0.00 O ATOM 1675 CB TRP A 137 3.517 -0.269 8.107 1.00 0.00 C ATOM 1676 CG TRP A 137 3.513 1.204 7.694 1.00 0.00 C ATOM 1677 CD1 TRP A 137 2.588 2.134 7.966 1.00 0.00 C ATOM 1678 CD2 TRP A 137 4.525 1.883 6.921 1.00 0.00 C ATOM 1679 NE1 TRP A 137 2.927 3.358 7.426 1.00 0.00 N ATOM 1680 CE2 TRP A 137 4.143 3.201 6.770 1.00 0.00 C ATOM 1681 CE3 TRP A 137 5.724 1.400 6.367 1.00 0.00 C ATOM 1682 CZ2 TRP A 137 4.902 4.144 6.068 1.00 0.00 C ATOM 1683 CZ3 TRP A 137 6.471 2.355 5.668 1.00 0.00 C ATOM 1684 CH2 TRP A 137 6.100 3.685 5.507 1.00 0.00 C ATOM 0 H TRP A 137 2.776 -0.041 10.503 1.00 0.00 H new ATOM 0 HA TRP A 137 1.424 -0.373 7.948 1.00 0.00 H new ATOM 0 HB2 TRP A 137 4.275 -0.418 8.876 1.00 0.00 H new ATOM 0 HB3 TRP A 137 3.809 -0.875 7.250 1.00 0.00 H new ATOM 0 HD1 TRP A 137 1.690 1.949 8.536 1.00 0.00 H new ATOM 0 HE1 TRP A 137 2.385 4.219 7.495 1.00 0.00 H new ATOM 0 HE3 TRP A 137 6.043 0.374 6.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 137 4.581 5.170 5.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 137 7.402 2.036 5.222 1.00 0.00 H new ATOM 0 HH2 TRP A 137 6.733 4.361 4.952 1.00 0.00 H new ATOM 1694 N MET A 138 2.681 -2.897 9.650 1.00 0.00 N ATOM 1695 CA MET A 138 2.663 -4.344 9.784 1.00 0.00 C ATOM 1696 C MET A 138 1.389 -4.813 10.491 1.00 0.00 C ATOM 1697 O MET A 138 0.866 -5.884 10.189 1.00 0.00 O ATOM 1698 CB MET A 138 3.887 -4.798 10.582 1.00 0.00 C ATOM 1699 CG MET A 138 4.023 -3.999 11.879 1.00 0.00 C ATOM 1700 SD MET A 138 4.210 -5.109 13.264 1.00 0.00 S ATOM 1701 CE MET A 138 2.528 -5.145 13.861 1.00 0.00 C ATOM 0 H MET A 138 3.196 -2.407 10.382 1.00 0.00 H new ATOM 0 HA MET A 138 2.685 -4.783 8.787 1.00 0.00 H new ATOM 0 HB2 MET A 138 3.802 -5.860 10.812 1.00 0.00 H new ATOM 0 HB3 MET A 138 4.786 -4.674 9.978 1.00 0.00 H new ATOM 0 HG2 MET A 138 4.884 -3.334 11.817 1.00 0.00 H new ATOM 0 HG3 MET A 138 3.144 -3.371 12.022 1.00 0.00 H new ATOM 0 HE1 MET A 138 2.498 -5.633 14.835 1.00 0.00 H new ATOM 0 HE2 MET A 138 2.153 -4.126 13.954 1.00 0.00 H new ATOM 0 HE3 MET A 138 1.904 -5.698 13.159 1.00 0.00 H new ATOM 1709 N ALA A 139 0.928 -3.988 11.420 1.00 0.00 N ATOM 1710 CA ALA A 139 -0.274 -4.305 12.172 1.00 0.00 C ATOM 1711 C ALA A 139 -1.474 -4.325 11.223 1.00 0.00 C ATOM 1712 O ALA A 139 -2.313 -5.222 11.296 1.00 0.00 O ATOM 1713 CB ALA A 139 -0.446 -3.295 13.308 1.00 0.00 C ATOM 0 H ALA A 139 1.365 -3.101 11.669 1.00 0.00 H new ATOM 0 HA ALA A 139 -0.195 -5.294 12.624 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.348 -3.532 13.872 1.00 0.00 H new ATOM 0 HB2 ALA A 139 0.419 -3.341 13.970 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -0.532 -2.291 12.892 1.00 0.00 H new ATOM 1719 N ALA A 140 -1.518 -3.325 10.354 1.00 0.00 N ATOM 1720 CA ALA A 140 -2.601 -3.217 9.392 1.00 0.00 C ATOM 1721 C ALA A 140 -2.610 -4.459 8.499 1.00 0.00 C ATOM 1722 O ALA A 140 -3.663 -5.046 8.256 1.00 0.00 O ATOM 1723 CB ALA A 140 -2.445 -1.924 8.590 1.00 0.00 C ATOM 0 H ALA A 140 -0.821 -2.583 10.297 1.00 0.00 H new ATOM 0 HA ALA A 140 -3.563 -3.170 9.902 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -3.258 -1.843 7.868 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -2.475 -1.070 9.267 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -1.491 -1.936 8.063 1.00 0.00 H new ATOM 1729 N LEU A 141 -1.424 -4.823 8.034 1.00 0.00 N ATOM 1730 CA LEU A 141 -1.282 -5.985 7.173 1.00 0.00 C ATOM 1731 C LEU A 141 -1.624 -7.247 7.966 1.00 0.00 C ATOM 1732 O LEU A 141 -2.358 -8.108 7.484 1.00 0.00 O ATOM 1733 CB LEU A 141 0.110 -6.015 6.539 1.00 0.00 C ATOM 1734 CG LEU A 141 0.173 -5.702 5.042 1.00 0.00 C ATOM 1735 CD1 LEU A 141 0.335 -4.200 4.803 1.00 0.00 C ATOM 1736 CD2 LEU A 141 1.275 -6.513 4.358 1.00 0.00 C ATOM 0 H LEU A 141 -0.552 -4.334 8.237 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.985 -5.931 6.341 1.00 0.00 H new ATOM 0 HB2 LEU A 141 0.743 -5.301 7.066 1.00 0.00 H new ATOM 0 HB3 LEU A 141 0.540 -7.003 6.702 1.00 0.00 H new ATOM 0 HG LEU A 141 -0.773 -6.000 4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 141 0.377 -4.005 3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -0.513 -3.669 5.236 1.00 0.00 H new ATOM 0 HD13 LEU A 141 1.257 -3.854 5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 141 1.298 -6.272 3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 141 2.238 -6.269 4.807 1.00 0.00 H new ATOM 0 HD23 LEU A 141 1.075 -7.577 4.484 1.00 0.00 H new ATOM 1747 N ILE A 142 -1.075 -7.318 9.170 1.00 0.00 N ATOM 1748 CA ILE A 142 -1.312 -8.461 10.035 1.00 0.00 C ATOM 1749 C ILE A 142 -2.786 -8.488 10.445 1.00 0.00 C ATOM 1750 O ILE A 142 -3.291 -9.516 10.892 1.00 0.00 O ATOM 1751 CB ILE A 142 -0.345 -8.446 11.220 1.00 0.00 C ATOM 1752 CG1 ILE A 142 1.077 -8.791 10.772 1.00 0.00 C ATOM 1753 CG2 ILE A 142 -0.833 -9.370 12.338 1.00 0.00 C ATOM 1754 CD1 ILE A 142 1.101 -10.102 9.983 1.00 0.00 C ATOM 0 H ILE A 142 -0.467 -6.602 9.567 1.00 0.00 H new ATOM 0 HA ILE A 142 -1.112 -9.390 9.501 1.00 0.00 H new ATOM 0 HB ILE A 142 -0.319 -7.435 11.626 1.00 0.00 H new ATOM 0 HG12 ILE A 142 1.474 -7.984 10.156 1.00 0.00 H new ATOM 0 HG13 ILE A 142 1.726 -8.875 11.643 1.00 0.00 H new ATOM 0 HG21 ILE A 142 -0.127 -9.341 13.168 1.00 0.00 H new ATOM 0 HG22 ILE A 142 -1.813 -9.038 12.682 1.00 0.00 H new ATOM 0 HG23 ILE A 142 -0.907 -10.390 11.961 1.00 0.00 H new ATOM 0 HD11 ILE A 142 2.123 -10.324 9.677 1.00 0.00 H new ATOM 0 HD12 ILE A 142 0.727 -10.911 10.610 1.00 0.00 H new ATOM 0 HD13 ILE A 142 0.470 -10.006 9.099 1.00 0.00 H new ATOM 1765 N SER A 143 -3.434 -7.344 10.277 1.00 0.00 N ATOM 1766 CA SER A 143 -4.840 -7.224 10.624 1.00 0.00 C ATOM 1767 C SER A 143 -5.689 -8.061 9.665 1.00 0.00 C ATOM 1768 O SER A 143 -6.506 -8.871 10.100 1.00 0.00 O ATOM 1769 CB SER A 143 -5.291 -5.762 10.594 1.00 0.00 C ATOM 1770 OG SER A 143 -6.534 -5.573 11.265 1.00 0.00 O ATOM 0 H SER A 143 -3.012 -6.493 9.906 1.00 0.00 H new ATOM 0 HA SER A 143 -4.975 -7.598 11.639 1.00 0.00 H new ATOM 0 HB2 SER A 143 -4.529 -5.138 11.060 1.00 0.00 H new ATOM 0 HB3 SER A 143 -5.384 -5.432 9.559 1.00 0.00 H new ATOM 0 HG SER A 143 -6.787 -4.627 11.225 1.00 0.00 H new ATOM 1775 N LEU A 144 -5.467 -7.836 8.379 1.00 0.00 N ATOM 1776 CA LEU A 144 -6.202 -8.560 7.355 1.00 0.00 C ATOM 1777 C LEU A 144 -5.720 -10.011 7.317 1.00 0.00 C ATOM 1778 O LEU A 144 -6.510 -10.936 7.498 1.00 0.00 O ATOM 1779 CB LEU A 144 -6.094 -7.841 6.009 1.00 0.00 C ATOM 1780 CG LEU A 144 -6.813 -6.494 5.908 1.00 0.00 C ATOM 1781 CD1 LEU A 144 -7.435 -6.307 4.522 1.00 0.00 C ATOM 1782 CD2 LEU A 144 -7.846 -6.339 7.025 1.00 0.00 C ATOM 0 H LEU A 144 -4.789 -7.163 8.022 1.00 0.00 H new ATOM 0 HA LEU A 144 -7.265 -8.583 7.594 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -5.038 -7.684 5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -6.488 -8.500 5.235 1.00 0.00 H new ATOM 0 HG LEU A 144 -6.075 -5.702 6.040 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -7.940 -5.342 4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -6.652 -6.343 3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -8.156 -7.103 4.337 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -8.342 -5.373 6.930 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -8.586 -7.136 6.950 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -7.347 -6.397 7.992 1.00 0.00 H new ATOM 1793 N GLN A 145 -4.425 -10.166 7.081 1.00 0.00 N ATOM 1794 CA GLN A 145 -3.829 -11.489 7.017 1.00 0.00 C ATOM 1795 C GLN A 145 -4.333 -12.355 8.174 1.00 0.00 C ATOM 1796 O GLN A 145 -4.349 -13.581 8.075 1.00 0.00 O ATOM 1797 CB GLN A 145 -2.301 -11.402 7.022 1.00 0.00 C ATOM 1798 CG GLN A 145 -1.681 -12.685 7.582 1.00 0.00 C ATOM 1799 CD GLN A 145 -1.565 -12.618 9.106 1.00 0.00 C ATOM 1800 OE1 GLN A 145 -1.525 -11.556 9.705 1.00 0.00 O ATOM 1801 NE2 GLN A 145 -1.513 -13.808 9.697 1.00 0.00 N ATOM 0 H GLN A 145 -3.772 -9.397 6.932 1.00 0.00 H new ATOM 0 HA GLN A 145 -4.131 -11.958 6.080 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -1.939 -11.232 6.008 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -1.984 -10.549 7.621 1.00 0.00 H new ATOM 0 HG2 GLN A 145 -2.291 -13.542 7.298 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -0.694 -12.837 7.145 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -1.551 -14.659 9.135 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -1.435 -13.870 10.712 1.00 0.00 H new ATOM 1808 N TYR A 146 -4.733 -11.683 9.243 1.00 0.00 N ATOM 1809 CA TYR A 146 -5.236 -12.375 10.417 1.00 0.00 C ATOM 1810 C TYR A 146 -6.636 -12.939 10.163 1.00 0.00 C ATOM 1811 O TYR A 146 -7.023 -13.942 10.761 1.00 0.00 O ATOM 1812 CB TYR A 146 -5.317 -11.323 11.525 1.00 0.00 C ATOM 1813 CG TYR A 146 -4.200 -11.429 12.566 1.00 0.00 C ATOM 1814 CD1 TYR A 146 -2.999 -12.019 12.231 1.00 0.00 C ATOM 1815 CD2 TYR A 146 -4.395 -10.934 13.839 1.00 0.00 C ATOM 1816 CE1 TYR A 146 -1.948 -12.118 13.210 1.00 0.00 C ATOM 1817 CE2 TYR A 146 -3.344 -11.033 14.819 1.00 0.00 C ATOM 1818 CZ TYR A 146 -2.172 -11.620 14.456 1.00 0.00 C ATOM 1819 OH TYR A 146 -1.179 -11.714 15.381 1.00 0.00 O ATOM 0 H TYR A 146 -4.719 -10.666 9.321 1.00 0.00 H new ATOM 0 HA TYR A 146 -4.585 -13.209 10.679 1.00 0.00 H new ATOM 0 HB2 TYR A 146 -5.286 -10.331 11.074 1.00 0.00 H new ATOM 0 HB3 TYR A 146 -6.279 -11.414 12.029 1.00 0.00 H new ATOM 0 HD1 TYR A 146 -2.847 -12.407 11.234 1.00 0.00 H new ATOM 0 HD2 TYR A 146 -5.336 -10.472 14.101 1.00 0.00 H new ATOM 0 HE1 TYR A 146 -1.003 -12.577 12.961 1.00 0.00 H new ATOM 0 HE2 TYR A 146 -3.483 -10.650 15.819 1.00 0.00 H new ATOM 0 HH TYR A 146 -1.479 -11.316 16.225 1.00 0.00 H new ATOM 1828 N ARG A 147 -7.356 -12.270 9.274 1.00 0.00 N ATOM 1829 CA ARG A 147 -8.704 -12.692 8.934 1.00 0.00 C ATOM 1830 C ARG A 147 -8.662 -13.813 7.893 1.00 0.00 C ATOM 1831 O ARG A 147 -9.699 -14.216 7.368 1.00 0.00 O ATOM 1832 CB ARG A 147 -9.524 -11.524 8.382 1.00 0.00 C ATOM 1833 CG ARG A 147 -10.869 -11.410 9.103 1.00 0.00 C ATOM 1834 CD ARG A 147 -11.556 -10.083 8.775 1.00 0.00 C ATOM 1835 NE ARG A 147 -12.351 -10.218 7.534 1.00 0.00 N ATOM 1836 CZ ARG A 147 -13.596 -10.713 7.491 1.00 0.00 C ATOM 1837 NH1 ARG A 147 -14.194 -11.122 8.618 1.00 0.00 N ATOM 1838 NH2 ARG A 147 -14.242 -10.798 6.320 1.00 0.00 N ATOM 0 H ARG A 147 -7.031 -11.439 8.779 1.00 0.00 H new ATOM 0 HA ARG A 147 -9.178 -13.055 9.846 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -8.965 -10.595 8.498 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -9.690 -11.664 7.314 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -11.514 -12.239 8.811 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -10.716 -11.488 10.179 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -12.203 -9.785 9.600 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -10.810 -9.298 8.655 1.00 0.00 H new ATOM 0 HE ARG A 147 -11.925 -9.916 6.658 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -13.702 -11.057 9.509 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -15.141 -11.499 8.585 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -13.786 -10.486 5.462 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -15.189 -11.175 6.286 1.00 0.00 H new ATOM 1849 N SER A 148 -7.453 -14.285 7.626 1.00 0.00 N ATOM 1850 CA SER A 148 -7.263 -15.351 6.658 1.00 0.00 C ATOM 1851 C SER A 148 -7.133 -16.695 7.378 1.00 0.00 C ATOM 1852 O SER A 148 -6.414 -17.581 6.920 1.00 0.00 O ATOM 1853 CB SER A 148 -6.030 -15.093 5.790 1.00 0.00 C ATOM 1854 OG SER A 148 -6.298 -15.304 4.406 1.00 0.00 O ATOM 0 H SER A 148 -6.595 -13.948 8.064 1.00 0.00 H new ATOM 0 HA SER A 148 -8.135 -15.379 6.005 1.00 0.00 H new ATOM 0 HB2 SER A 148 -5.688 -14.069 5.941 1.00 0.00 H new ATOM 0 HB3 SER A 148 -5.220 -15.750 6.107 1.00 0.00 H new ATOM 0 HG SER A 148 -6.576 -14.459 3.994 1.00 0.00 H new ATOM 1859 N THR A 149 -7.841 -16.803 8.493 1.00 0.00 N ATOM 1860 CA THR A 149 -7.814 -18.024 9.280 1.00 0.00 C ATOM 1861 C THR A 149 -8.771 -17.913 10.469 1.00 0.00 C ATOM 1862 O THR A 149 -9.416 -18.891 10.844 1.00 0.00 O ATOM 1863 CB THR A 149 -6.364 -18.290 9.691 1.00 0.00 C ATOM 1864 OG1 THR A 149 -5.967 -19.387 8.872 1.00 0.00 O ATOM 1865 CG2 THR A 149 -6.249 -18.829 11.118 1.00 0.00 C ATOM 0 H THR A 149 -8.436 -16.065 8.870 1.00 0.00 H new ATOM 0 HA THR A 149 -8.164 -18.877 8.699 1.00 0.00 H new ATOM 0 HB THR A 149 -5.787 -17.369 9.604 1.00 0.00 H new ATOM 0 HG1 THR A 149 -5.994 -19.119 7.930 1.00 0.00 H new ATOM 0 HG21 THR A 149 -5.200 -19.000 11.359 1.00 0.00 H new ATOM 0 HG22 THR A 149 -6.668 -18.104 11.816 1.00 0.00 H new ATOM 0 HG23 THR A 149 -6.798 -19.768 11.198 1.00 0.00 H new ATOM 1873 N LEU A 150 -8.833 -16.714 11.028 1.00 0.00 N ATOM 1874 CA LEU A 150 -9.700 -16.462 12.166 1.00 0.00 C ATOM 1875 C LEU A 150 -10.863 -15.570 11.728 1.00 0.00 C ATOM 1876 O LEU A 150 -11.148 -15.455 10.537 1.00 0.00 O ATOM 1877 CB LEU A 150 -8.896 -15.894 13.338 1.00 0.00 C ATOM 1878 CG LEU A 150 -8.530 -14.412 13.244 1.00 0.00 C ATOM 1879 CD1 LEU A 150 -9.276 -13.595 14.301 1.00 0.00 C ATOM 1880 CD2 LEU A 150 -7.016 -14.214 13.330 1.00 0.00 C ATOM 0 H LEU A 150 -8.296 -15.905 10.714 1.00 0.00 H new ATOM 0 HA LEU A 150 -10.132 -17.394 12.529 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -9.467 -16.050 14.254 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -7.976 -16.470 13.434 1.00 0.00 H new ATOM 0 HG LEU A 150 -8.847 -14.043 12.269 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -8.998 -12.545 14.212 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -10.350 -13.700 14.150 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -9.012 -13.958 15.294 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -6.784 -13.151 13.261 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -6.651 -14.604 14.280 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -6.532 -14.745 12.510 1.00 0.00 H new