USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 756 hydrogens (18 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 36 GLN :FLIP amide:sc= 0.88 F(o=-8.1,f=-5.8) USER MOD Set 1.2: A 48 ASN :FLIP amide:sc= -6.67! C(o=-6.8!,f=-5.8!) USER MOD Set 2.1: A 27 GLN : amide:sc= -22.5! C(o=-23!,f=-25!) USER MOD Set 2.2: A 32 TYR OH : rot -157:sc= -0.351 USER MOD Single : A 1 ALA N :NH3+ 167:sc= -0.279 (180deg=-0.576) USER MOD Single : A 4 THR OG1 : rot -22:sc= -0.185 USER MOD Single : A 6 THR OG1 : rot 80:sc= -1.63! USER MOD Single : A 8 THR OG1 : rot -120:sc= -0.689 USER MOD Single : A 10 SER OG : rot 180:sc= -0.0207 USER MOD Single : A 11 SER OG : rot 26:sc= 1.1 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -9:sc= -4.44! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 42 THR OG1 : rot -62:sc= 0.776 USER MOD Single : A 53 SER OG : rot -115:sc= -0.729 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -60:sc= -3.81! USER MOD Single : A 60 ASN : amide:sc= -0.293 K(o=-0.29,f=-3!) USER MOD Single : A 62 SER OG : rot 180:sc= -1.07 USER MOD Single : A 64 SER OG : rot 55:sc= 0.161 USER MOD Single : A 65 THR OG1 : rot -170:sc= -0.0148 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.943 USER MOD Single : A 72 SER OG : rot 31:sc= 0.592 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -36:sc= -3.45! USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0564 K(o=-0.056,f=-0.94) USER MOD Single : A 98 SER OG : rot -75:sc= 0.76 USER MOD Single : A 103 ASN : amide:sc= -0.8 X(o=-0.8,f=-0.89) USER MOD Single : A 111 SER OG : rot 180:sc= -0.386 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 130 NCZ O2 : rot 178:sc= 1.12 USER MOD Single : A 130 NCZ O5 : rot 180:sc= -0.0341 USER MOD Single : A 130 NCZ O6 : rot -39:sc=-0.000498 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.863 -6.895 9.306 1.00 0.00 N ATOM 2 CA ALA A 1 -11.144 -6.224 8.049 1.00 0.00 C ATOM 3 C ALA A 1 -12.037 -5.009 8.312 1.00 0.00 C ATOM 4 O ALA A 1 -12.564 -4.406 7.377 1.00 0.00 O ATOM 5 CB ALA A 1 -11.781 -7.214 7.071 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.449 -7.830 9.116 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.192 -6.326 9.861 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.746 -7.010 9.843 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.222 -5.864 7.593 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -11.992 -6.709 6.128 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -11.095 -8.043 6.894 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.710 -7.596 7.494 1.00 0.00 H new ATOM 11 N ALA A 2 -12.180 -4.686 9.588 1.00 0.00 N ATOM 12 CA ALA A 2 -13.000 -3.555 9.986 1.00 0.00 C ATOM 13 C ALA A 2 -12.228 -2.258 9.740 1.00 0.00 C ATOM 14 O ALA A 2 -12.796 -1.273 9.272 1.00 0.00 O ATOM 15 CB ALA A 2 -13.417 -3.716 11.449 1.00 0.00 C ATOM 0 H ALA A 2 -11.742 -5.188 10.360 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.911 -3.514 9.389 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.032 -2.867 11.747 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.988 -4.637 11.565 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.528 -3.759 12.078 1.00 0.00 H new ATOM 21 N PRO A 3 -10.911 -2.302 10.075 1.00 0.00 N ATOM 22 CA PRO A 3 -10.054 -1.141 9.895 1.00 0.00 C ATOM 23 C PRO A 3 -9.708 -0.941 8.418 1.00 0.00 C ATOM 24 O PRO A 3 -8.685 -1.435 7.944 1.00 0.00 O ATOM 25 CB PRO A 3 -8.835 -1.415 10.759 1.00 0.00 C ATOM 26 CG PRO A 3 -8.838 -2.913 11.023 1.00 0.00 C ATOM 27 CD PRO A 3 -10.205 -3.452 10.632 1.00 0.00 C ATOM 0 HA PRO A 3 -10.536 -0.210 10.194 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.920 -1.110 10.251 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.884 -0.854 11.692 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.055 -3.404 10.446 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.634 -3.116 12.074 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.119 -4.256 9.901 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.731 -3.860 11.495 1.00 0.00 H new ATOM 35 N THR A 4 -10.578 -0.216 7.732 1.00 0.00 N ATOM 36 CA THR A 4 -10.376 0.056 6.319 1.00 0.00 C ATOM 37 C THR A 4 -9.821 -1.180 5.611 1.00 0.00 C ATOM 38 O THR A 4 -10.098 -2.309 6.016 1.00 0.00 O ATOM 39 CB THR A 4 -9.472 1.285 6.197 1.00 0.00 C ATOM 40 OG1 THR A 4 -8.157 0.764 6.367 1.00 0.00 O ATOM 41 CG2 THR A 4 -9.641 2.254 7.369 1.00 0.00 C ATOM 0 H THR A 4 -11.425 0.192 8.128 1.00 0.00 H new ATOM 0 HA THR A 4 -11.320 0.279 5.821 1.00 0.00 H new ATOM 0 HB THR A 4 -9.687 1.803 5.263 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.203 -0.092 6.842 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.977 3.108 7.234 1.00 0.00 H new ATOM 0 HG22 THR A 4 -10.674 2.600 7.409 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.392 1.745 8.300 1.00 0.00 H new ATOM 49 N ALA A 5 -9.046 -0.927 4.566 1.00 0.00 N ATOM 50 CA ALA A 5 -8.448 -2.006 3.799 1.00 0.00 C ATOM 51 C ALA A 5 -7.354 -2.675 4.634 1.00 0.00 C ATOM 52 O ALA A 5 -6.481 -1.998 5.176 1.00 0.00 O ATOM 53 CB ALA A 5 -7.917 -1.456 2.474 1.00 0.00 C ATOM 0 H ALA A 5 -8.819 0.010 4.233 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.192 -2.767 3.562 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.468 -2.265 1.898 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.738 -1.019 1.906 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.166 -0.692 2.672 1.00 0.00 H new ATOM 59 N THR A 6 -7.436 -3.995 4.710 1.00 0.00 N ATOM 60 CA THR A 6 -6.463 -4.763 5.469 1.00 0.00 C ATOM 61 C THR A 6 -6.058 -6.021 4.700 1.00 0.00 C ATOM 62 O THR A 6 -6.894 -6.657 4.058 1.00 0.00 O ATOM 63 CB THR A 6 -7.064 -5.057 6.845 1.00 0.00 C ATOM 64 OG1 THR A 6 -8.459 -5.206 6.590 1.00 0.00 O ATOM 65 CG2 THR A 6 -6.984 -3.857 7.790 1.00 0.00 C ATOM 0 H THR A 6 -8.161 -4.553 4.259 1.00 0.00 H new ATOM 0 HA THR A 6 -5.541 -4.200 5.614 1.00 0.00 H new ATOM 0 HB THR A 6 -6.546 -5.905 7.293 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.633 -6.103 6.236 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.425 -4.121 8.751 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.941 -3.576 7.934 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.530 -3.018 7.359 1.00 0.00 H new ATOM 73 N VAL A 7 -4.776 -6.343 4.789 1.00 0.00 N ATOM 74 CA VAL A 7 -4.251 -7.514 4.108 1.00 0.00 C ATOM 75 C VAL A 7 -4.637 -8.770 4.890 1.00 0.00 C ATOM 76 O VAL A 7 -4.283 -8.911 6.061 1.00 0.00 O ATOM 77 CB VAL A 7 -2.739 -7.373 3.913 1.00 0.00 C ATOM 78 CG1 VAL A 7 -2.074 -8.742 3.764 1.00 0.00 C ATOM 79 CG2 VAL A 7 -2.422 -6.474 2.716 1.00 0.00 C ATOM 0 H VAL A 7 -4.086 -5.814 5.322 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.687 -7.603 3.113 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.329 -6.899 4.805 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.001 -8.612 3.627 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.256 -9.335 4.661 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.491 -9.257 2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.341 -6.391 2.600 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.852 -6.906 1.812 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.847 -5.484 2.882 1.00 0.00 H new ATOM 89 N THR A 8 -5.360 -9.652 4.214 1.00 0.00 N ATOM 90 CA THR A 8 -5.800 -10.891 4.832 1.00 0.00 C ATOM 91 C THR A 8 -4.760 -11.381 5.840 1.00 0.00 C ATOM 92 O THR A 8 -5.013 -11.392 7.043 1.00 0.00 O ATOM 93 CB THR A 8 -6.088 -11.898 3.716 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.497 -11.802 3.518 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.871 -13.345 4.164 1.00 0.00 C ATOM 0 H THR A 8 -5.652 -9.532 3.244 1.00 0.00 H new ATOM 0 HA THR A 8 -6.717 -10.746 5.403 1.00 0.00 H new ATOM 0 HB THR A 8 -5.449 -11.684 2.859 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.911 -12.674 3.686 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.089 -14.019 3.335 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.835 -13.478 4.477 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.534 -13.571 4.999 1.00 0.00 H new ATOM 103 N PRO A 9 -3.580 -11.787 5.298 1.00 0.00 N ATOM 104 CA PRO A 9 -2.501 -12.278 6.137 1.00 0.00 C ATOM 105 C PRO A 9 -1.808 -11.128 6.868 1.00 0.00 C ATOM 106 O PRO A 9 -2.385 -10.054 7.033 1.00 0.00 O ATOM 107 CB PRO A 9 -1.574 -13.023 5.190 1.00 0.00 C ATOM 108 CG PRO A 9 -1.921 -12.531 3.795 1.00 0.00 C ATOM 109 CD PRO A 9 -3.245 -11.790 3.876 1.00 0.00 C ATOM 0 HA PRO A 9 -2.853 -12.937 6.931 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.529 -12.821 5.427 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.717 -14.101 5.271 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.138 -11.873 3.417 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.995 -13.369 3.102 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.156 -10.775 3.488 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.015 -12.289 3.288 1.00 0.00 H new ATOM 117 N SER A 10 -0.579 -11.390 7.288 1.00 0.00 N ATOM 118 CA SER A 10 0.198 -10.390 8.000 1.00 0.00 C ATOM 119 C SER A 10 1.652 -10.420 7.521 1.00 0.00 C ATOM 120 O SER A 10 2.246 -9.374 7.261 1.00 0.00 O ATOM 121 CB SER A 10 0.133 -10.613 9.512 1.00 0.00 C ATOM 122 OG SER A 10 -0.338 -9.459 10.202 1.00 0.00 O ATOM 0 H SER A 10 -0.102 -12.281 7.149 1.00 0.00 H new ATOM 0 HA SER A 10 -0.229 -9.410 7.787 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.523 -11.456 9.726 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.123 -10.878 9.882 1.00 0.00 H new ATOM 0 HG SER A 10 -0.367 -9.642 11.164 1.00 0.00 H new ATOM 128 N SER A 11 2.182 -11.628 7.418 1.00 0.00 N ATOM 129 CA SER A 11 3.555 -11.809 6.975 1.00 0.00 C ATOM 130 C SER A 11 3.643 -11.637 5.458 1.00 0.00 C ATOM 131 O SER A 11 3.657 -12.619 4.717 1.00 0.00 O ATOM 132 CB SER A 11 4.091 -13.182 7.385 1.00 0.00 C ATOM 133 OG SER A 11 3.451 -14.239 6.674 1.00 0.00 O ATOM 0 H SER A 11 1.686 -12.493 7.634 1.00 0.00 H new ATOM 0 HA SER A 11 4.171 -11.050 7.457 1.00 0.00 H new ATOM 0 HB2 SER A 11 5.165 -13.221 7.203 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.944 -13.324 8.456 1.00 0.00 H new ATOM 0 HG SER A 11 3.126 -13.904 5.813 1.00 0.00 H new ATOM 139 N GLY A 12 3.699 -10.380 5.039 1.00 0.00 N ATOM 140 CA GLY A 12 3.784 -10.067 3.623 1.00 0.00 C ATOM 141 C GLY A 12 5.174 -10.392 3.071 1.00 0.00 C ATOM 142 O GLY A 12 5.442 -10.178 1.890 1.00 0.00 O ATOM 0 H GLY A 12 3.687 -9.568 5.656 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.030 -10.633 3.076 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.565 -9.011 3.467 1.00 0.00 H new ATOM 146 N LEU A 13 6.019 -10.907 3.954 1.00 0.00 N ATOM 147 CA LEU A 13 7.372 -11.266 3.568 1.00 0.00 C ATOM 148 C LEU A 13 7.326 -12.434 2.583 1.00 0.00 C ATOM 149 O LEU A 13 7.845 -13.513 2.869 1.00 0.00 O ATOM 150 CB LEU A 13 8.226 -11.540 4.810 1.00 0.00 C ATOM 151 CG LEU A 13 7.591 -12.434 5.876 1.00 0.00 C ATOM 152 CD1 LEU A 13 8.311 -13.782 5.963 1.00 0.00 C ATOM 153 CD2 LEU A 13 7.542 -11.722 7.230 1.00 0.00 C ATOM 0 H LEU A 13 5.792 -11.083 4.933 1.00 0.00 H new ATOM 0 HA LEU A 13 7.855 -10.436 3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.161 -11.999 4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.480 -10.585 5.270 1.00 0.00 H new ATOM 0 HG LEU A 13 6.562 -12.638 5.581 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.839 -14.398 6.729 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.250 -14.290 5.000 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.357 -13.620 6.222 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.086 -12.379 7.970 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.554 -11.468 7.544 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.951 -10.811 7.141 1.00 0.00 H new ATOM 165 N SER A 14 6.702 -12.180 1.442 1.00 0.00 N ATOM 166 CA SER A 14 6.581 -13.198 0.413 1.00 0.00 C ATOM 167 C SER A 14 6.677 -12.554 -0.972 1.00 0.00 C ATOM 168 O SER A 14 5.839 -11.730 -1.337 1.00 0.00 O ATOM 169 CB SER A 14 5.267 -13.968 0.550 1.00 0.00 C ATOM 170 OG SER A 14 5.477 -15.376 0.601 1.00 0.00 O ATOM 0 H SER A 14 6.275 -11.284 1.208 1.00 0.00 H new ATOM 0 HA SER A 14 7.400 -13.907 0.536 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.750 -13.645 1.454 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.617 -13.729 -0.292 1.00 0.00 H new ATOM 0 HG SER A 14 4.614 -15.832 0.690 1.00 0.00 H new ATOM 176 N ASP A 15 7.705 -12.954 -1.705 1.00 0.00 N ATOM 177 CA ASP A 15 7.921 -12.427 -3.044 1.00 0.00 C ATOM 178 C ASP A 15 6.568 -12.192 -3.719 1.00 0.00 C ATOM 179 O ASP A 15 5.997 -13.111 -4.308 1.00 0.00 O ATOM 180 CB ASP A 15 8.713 -13.412 -3.904 1.00 0.00 C ATOM 181 CG ASP A 15 10.233 -13.266 -3.818 1.00 0.00 C ATOM 182 OD1 ASP A 15 10.886 -14.290 -3.514 1.00 0.00 O ATOM 183 OD2 ASP A 15 10.710 -12.136 -4.059 1.00 0.00 O ATOM 0 H ASP A 15 8.398 -13.637 -1.398 1.00 0.00 H new ATOM 0 HA ASP A 15 8.482 -11.497 -2.953 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.443 -14.426 -3.610 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.409 -13.290 -4.944 1.00 0.00 H new ATOM 189 N GLY A 16 6.094 -10.960 -3.610 1.00 0.00 N ATOM 190 CA GLY A 16 4.818 -10.594 -4.202 1.00 0.00 C ATOM 191 C GLY A 16 3.684 -11.444 -3.631 1.00 0.00 C ATOM 192 O GLY A 16 3.090 -12.253 -4.341 1.00 0.00 O ATOM 0 H GLY A 16 6.570 -10.202 -3.121 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.616 -9.539 -4.015 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.865 -10.723 -5.283 1.00 0.00 H new ATOM 196 N THR A 17 3.415 -11.231 -2.351 1.00 0.00 N ATOM 197 CA THR A 17 2.361 -11.967 -1.674 1.00 0.00 C ATOM 198 C THR A 17 0.987 -11.526 -2.185 1.00 0.00 C ATOM 199 O THR A 17 0.551 -10.409 -1.913 1.00 0.00 O ATOM 200 CB THR A 17 2.540 -11.772 -0.167 1.00 0.00 C ATOM 201 OG1 THR A 17 3.951 -11.787 0.020 1.00 0.00 O ATOM 202 CG2 THR A 17 2.044 -12.971 0.642 1.00 0.00 C ATOM 0 H THR A 17 3.909 -10.559 -1.765 1.00 0.00 H new ATOM 0 HA THR A 17 2.425 -13.034 -1.888 1.00 0.00 H new ATOM 0 HB THR A 17 2.006 -10.876 0.148 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.389 -12.051 -0.816 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.194 -12.780 1.705 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.983 -13.127 0.448 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.601 -13.862 0.351 1.00 0.00 H new ATOM 210 N VAL A 18 0.348 -12.424 -2.918 1.00 0.00 N ATOM 211 CA VAL A 18 -0.966 -12.141 -3.470 1.00 0.00 C ATOM 212 C VAL A 18 -2.034 -12.457 -2.421 1.00 0.00 C ATOM 213 O VAL A 18 -2.237 -13.617 -2.067 1.00 0.00 O ATOM 214 CB VAL A 18 -1.163 -12.915 -4.775 1.00 0.00 C ATOM 215 CG1 VAL A 18 -2.159 -12.201 -5.690 1.00 0.00 C ATOM 216 CG2 VAL A 18 0.173 -13.139 -5.487 1.00 0.00 C ATOM 0 H VAL A 18 0.715 -13.349 -3.143 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.056 -11.083 -3.718 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.577 -13.892 -4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.281 -12.772 -6.611 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.121 -12.117 -5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.785 -11.205 -5.927 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.004 -13.691 -6.411 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.628 -12.176 -5.718 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.839 -13.710 -4.840 1.00 0.00 H new ATOM 226 N VAL A 19 -2.689 -11.404 -1.955 1.00 0.00 N ATOM 227 CA VAL A 19 -3.731 -11.556 -0.954 1.00 0.00 C ATOM 228 C VAL A 19 -4.899 -10.630 -1.296 1.00 0.00 C ATOM 229 O VAL A 19 -4.879 -9.954 -2.324 1.00 0.00 O ATOM 230 CB VAL A 19 -3.158 -11.302 0.442 1.00 0.00 C ATOM 231 CG1 VAL A 19 -2.087 -12.339 0.790 1.00 0.00 C ATOM 232 CG2 VAL A 19 -2.604 -9.880 0.558 1.00 0.00 C ATOM 0 H VAL A 19 -2.519 -10.443 -2.252 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.113 -12.577 -0.954 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.970 -11.403 1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.695 -12.137 1.787 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.526 -13.337 0.768 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.276 -12.283 0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.203 -9.726 1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.811 -9.738 -0.176 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.403 -9.162 0.373 1.00 0.00 H new ATOM 242 N LYS A 20 -5.890 -10.626 -0.416 1.00 0.00 N ATOM 243 CA LYS A 20 -7.064 -9.794 -0.613 1.00 0.00 C ATOM 244 C LYS A 20 -7.116 -8.727 0.482 1.00 0.00 C ATOM 245 O LYS A 20 -6.925 -9.030 1.659 1.00 0.00 O ATOM 246 CB LYS A 20 -8.325 -10.657 -0.691 1.00 0.00 C ATOM 247 CG LYS A 20 -8.514 -11.471 0.591 1.00 0.00 C ATOM 248 CD LYS A 20 -9.944 -11.340 1.119 1.00 0.00 C ATOM 249 CE LYS A 20 -10.419 -12.653 1.746 1.00 0.00 C ATOM 250 NZ LYS A 20 -10.847 -13.604 0.694 1.00 0.00 N ATOM 0 H LYS A 20 -5.903 -11.187 0.436 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.005 -9.270 -1.567 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.195 -10.021 -0.854 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.257 -11.330 -1.546 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.289 -12.520 0.396 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.810 -11.130 1.350 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.990 -10.541 1.859 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.612 -11.059 0.305 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.615 -13.092 2.337 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.247 -12.459 2.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.166 -14.490 1.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.628 -13.188 0.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.047 -13.802 0.059 1.00 0.00 H new ATOM 264 N VAL A 21 -7.377 -7.498 0.057 1.00 0.00 N ATOM 265 CA VAL A 21 -7.456 -6.386 0.985 1.00 0.00 C ATOM 266 C VAL A 21 -8.918 -5.956 1.138 1.00 0.00 C ATOM 267 O VAL A 21 -9.474 -5.311 0.251 1.00 0.00 O ATOM 268 CB VAL A 21 -6.546 -5.249 0.519 1.00 0.00 C ATOM 269 CG1 VAL A 21 -7.160 -3.885 0.844 1.00 0.00 C ATOM 270 CG2 VAL A 21 -5.149 -5.379 1.130 1.00 0.00 C ATOM 0 H VAL A 21 -7.536 -7.250 -0.919 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.100 -6.687 1.970 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.447 -5.323 -0.564 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.492 -3.094 0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.122 -3.790 0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.303 -3.798 1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.522 -4.558 0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.223 -5.344 2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.706 -6.328 0.827 1.00 0.00 H new ATOM 280 N ALA A 22 -9.497 -6.335 2.267 1.00 0.00 N ATOM 281 CA ALA A 22 -10.884 -5.996 2.546 1.00 0.00 C ATOM 282 C ALA A 22 -10.942 -4.631 3.235 1.00 0.00 C ATOM 283 O ALA A 22 -10.345 -4.440 4.292 1.00 0.00 O ATOM 284 CB ALA A 22 -11.518 -7.103 3.390 1.00 0.00 C ATOM 0 H ALA A 22 -9.033 -6.873 2.999 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.456 -5.922 1.621 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.557 -6.850 3.600 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.477 -8.046 2.844 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.972 -7.203 4.328 1.00 0.00 H new ATOM 290 N GLY A 23 -11.669 -3.718 2.606 1.00 0.00 N ATOM 291 CA GLY A 23 -11.814 -2.377 3.145 1.00 0.00 C ATOM 292 C GLY A 23 -13.172 -2.204 3.829 1.00 0.00 C ATOM 293 O GLY A 23 -14.210 -2.488 3.234 1.00 0.00 O ATOM 0 H GLY A 23 -12.163 -3.881 1.729 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.015 -2.180 3.860 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.711 -1.646 2.343 1.00 0.00 H new ATOM 297 N ALA A 24 -13.121 -1.740 5.068 1.00 0.00 N ATOM 298 CA ALA A 24 -14.336 -1.526 5.838 1.00 0.00 C ATOM 299 C ALA A 24 -14.439 -0.047 6.216 1.00 0.00 C ATOM 300 O ALA A 24 -13.750 0.417 7.122 1.00 0.00 O ATOM 301 CB ALA A 24 -14.330 -2.441 7.063 1.00 0.00 C ATOM 0 H ALA A 24 -12.258 -1.506 5.559 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.216 -1.778 5.247 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.240 -2.281 7.641 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.283 -3.481 6.740 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.462 -2.214 7.683 1.00 0.00 H new ATOM 307 N GLY A 25 -15.308 0.654 5.501 1.00 0.00 N ATOM 308 CA GLY A 25 -15.512 2.072 5.750 1.00 0.00 C ATOM 309 C GLY A 25 -14.581 2.920 4.881 1.00 0.00 C ATOM 310 O GLY A 25 -14.358 4.095 5.168 1.00 0.00 O ATOM 0 H GLY A 25 -15.879 0.267 4.750 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -16.549 2.336 5.543 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.332 2.290 6.803 1.00 0.00 H new ATOM 314 N LEU A 26 -14.062 2.291 3.837 1.00 0.00 N ATOM 315 CA LEU A 26 -13.159 2.975 2.925 1.00 0.00 C ATOM 316 C LEU A 26 -13.969 3.892 2.006 1.00 0.00 C ATOM 317 O LEU A 26 -14.938 4.514 2.442 1.00 0.00 O ATOM 318 CB LEU A 26 -12.291 1.963 2.173 1.00 0.00 C ATOM 319 CG LEU A 26 -10.848 2.396 1.895 1.00 0.00 C ATOM 320 CD1 LEU A 26 -10.676 3.900 2.116 1.00 0.00 C ATOM 321 CD2 LEU A 26 -9.861 1.575 2.726 1.00 0.00 C ATOM 0 H LEU A 26 -14.249 1.316 3.602 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.465 3.608 3.478 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.268 1.036 2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.772 1.737 1.221 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.626 2.199 0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.643 4.182 1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.340 4.445 1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.922 4.146 3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.844 1.902 2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.071 1.718 3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.964 0.519 2.475 1.00 0.00 H new ATOM 333 N GLN A 27 -13.540 3.949 0.754 1.00 0.00 N ATOM 334 CA GLN A 27 -14.213 4.781 -0.229 1.00 0.00 C ATOM 335 C GLN A 27 -15.702 4.436 -0.288 1.00 0.00 C ATOM 336 O GLN A 27 -16.118 3.597 -1.086 1.00 0.00 O ATOM 337 CB GLN A 27 -13.563 4.637 -1.607 1.00 0.00 C ATOM 338 CG GLN A 27 -12.087 5.038 -1.561 1.00 0.00 C ATOM 339 CD GLN A 27 -11.850 6.146 -0.531 1.00 0.00 C ATOM 340 OE1 GLN A 27 -11.090 6.002 0.411 1.00 0.00 O ATOM 341 NE2 GLN A 27 -12.546 7.257 -0.764 1.00 0.00 N ATOM 0 H GLN A 27 -12.735 3.433 0.398 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.113 5.822 0.077 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.653 3.606 -1.950 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.091 5.260 -2.329 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.478 4.169 -1.312 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.768 5.378 -2.546 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.165 7.311 -1.573 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.460 8.054 -0.134 1.00 0.00 H new ATOM 350 N ALA A 28 -16.465 5.099 0.568 1.00 0.00 N ATOM 351 CA ALA A 28 -17.899 4.872 0.624 1.00 0.00 C ATOM 352 C ALA A 28 -18.502 5.098 -0.764 1.00 0.00 C ATOM 353 O ALA A 28 -18.941 6.202 -1.082 1.00 0.00 O ATOM 354 CB ALA A 28 -18.520 5.785 1.685 1.00 0.00 C ATOM 0 H ALA A 28 -16.117 5.794 1.229 1.00 0.00 H new ATOM 0 HA ALA A 28 -18.113 3.843 0.913 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.596 5.615 1.727 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.080 5.565 2.657 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -18.327 6.826 1.427 1.00 0.00 H new ATOM 360 N GLY A 29 -18.503 4.033 -1.554 1.00 0.00 N ATOM 361 CA GLY A 29 -19.044 4.102 -2.900 1.00 0.00 C ATOM 362 C GLY A 29 -18.115 4.890 -3.826 1.00 0.00 C ATOM 363 O GLY A 29 -18.425 5.091 -4.998 1.00 0.00 O ATOM 0 H GLY A 29 -18.138 3.119 -1.287 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -19.184 3.094 -3.291 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.026 4.574 -2.877 1.00 0.00 H new ATOM 367 N THR A 30 -16.993 5.316 -3.263 1.00 0.00 N ATOM 368 CA THR A 30 -16.016 6.077 -4.021 1.00 0.00 C ATOM 369 C THR A 30 -14.978 5.142 -4.644 1.00 0.00 C ATOM 370 O THR A 30 -15.083 3.923 -4.524 1.00 0.00 O ATOM 371 CB THR A 30 -15.409 7.128 -3.091 1.00 0.00 C ATOM 372 OG1 THR A 30 -16.069 6.913 -1.846 1.00 0.00 O ATOM 373 CG2 THR A 30 -15.802 8.555 -3.482 1.00 0.00 C ATOM 0 H THR A 30 -16.740 5.148 -2.289 1.00 0.00 H new ATOM 0 HA THR A 30 -16.482 6.596 -4.858 1.00 0.00 H new ATOM 0 HB THR A 30 -14.323 7.037 -3.101 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.734 7.552 -1.183 1.00 0.00 H new ATOM 0 HG21 THR A 30 -15.344 9.261 -2.789 1.00 0.00 H new ATOM 0 HG22 THR A 30 -15.456 8.763 -4.494 1.00 0.00 H new ATOM 0 HG23 THR A 30 -16.886 8.658 -3.441 1.00 0.00 H new ATOM 381 N ALA A 31 -13.996 5.750 -5.294 1.00 0.00 N ATOM 382 CA ALA A 31 -12.938 4.987 -5.936 1.00 0.00 C ATOM 383 C ALA A 31 -11.598 5.688 -5.704 1.00 0.00 C ATOM 384 O ALA A 31 -11.432 6.853 -6.066 1.00 0.00 O ATOM 385 CB ALA A 31 -13.260 4.818 -7.422 1.00 0.00 C ATOM 0 H ALA A 31 -13.911 6.762 -5.390 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.867 3.989 -5.504 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.467 4.246 -7.903 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.207 4.289 -7.531 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.336 5.799 -7.892 1.00 0.00 H new ATOM 391 N TYR A 32 -10.676 4.950 -5.104 1.00 0.00 N ATOM 392 CA TYR A 32 -9.356 5.486 -4.820 1.00 0.00 C ATOM 393 C TYR A 32 -8.274 4.701 -5.565 1.00 0.00 C ATOM 394 O TYR A 32 -8.582 3.864 -6.413 1.00 0.00 O ATOM 395 CB TYR A 32 -9.147 5.315 -3.314 1.00 0.00 C ATOM 396 CG TYR A 32 -9.566 6.530 -2.487 1.00 0.00 C ATOM 397 CD1 TYR A 32 -10.416 7.474 -3.028 1.00 0.00 C ATOM 398 CD2 TYR A 32 -9.093 6.686 -1.199 1.00 0.00 C ATOM 399 CE1 TYR A 32 -10.810 8.620 -2.246 1.00 0.00 C ATOM 400 CE2 TYR A 32 -9.488 7.831 -0.419 1.00 0.00 C ATOM 401 CZ TYR A 32 -10.327 8.741 -0.982 1.00 0.00 C ATOM 402 OH TYR A 32 -10.699 9.822 -0.245 1.00 0.00 O ATOM 0 H TYR A 32 -10.817 3.985 -4.807 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.288 6.527 -5.136 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.711 4.446 -2.976 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.094 5.105 -3.125 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.785 7.354 -4.036 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.426 5.949 -0.776 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.475 9.366 -2.656 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.126 7.964 0.590 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.034 9.984 0.457 1.00 0.00 H new ATOM 412 N ASP A 33 -7.030 5.000 -5.223 1.00 0.00 N ATOM 413 CA ASP A 33 -5.900 4.335 -5.850 1.00 0.00 C ATOM 414 C ASP A 33 -5.206 3.440 -4.819 1.00 0.00 C ATOM 415 O ASP A 33 -4.581 3.938 -3.883 1.00 0.00 O ATOM 416 CB ASP A 33 -4.877 5.348 -6.362 1.00 0.00 C ATOM 417 CG ASP A 33 -4.119 6.111 -5.274 1.00 0.00 C ATOM 418 OD1 ASP A 33 -2.957 5.730 -5.019 1.00 0.00 O ATOM 419 OD2 ASP A 33 -4.720 7.057 -4.721 1.00 0.00 O ATOM 0 H ASP A 33 -6.779 5.694 -4.519 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.276 3.750 -6.689 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.154 4.826 -6.989 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.390 6.068 -6.999 1.00 0.00 H new ATOM 425 N VAL A 34 -5.338 2.140 -5.026 1.00 0.00 N ATOM 426 CA VAL A 34 -4.730 1.174 -4.126 1.00 0.00 C ATOM 427 C VAL A 34 -3.247 1.028 -4.469 1.00 0.00 C ATOM 428 O VAL A 34 -2.876 0.997 -5.641 1.00 0.00 O ATOM 429 CB VAL A 34 -5.491 -0.153 -4.191 1.00 0.00 C ATOM 430 CG1 VAL A 34 -4.557 -1.303 -4.576 1.00 0.00 C ATOM 431 CG2 VAL A 34 -6.201 -0.442 -2.868 1.00 0.00 C ATOM 0 H VAL A 34 -5.857 1.731 -5.803 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.793 1.520 -3.094 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.251 -0.066 -4.967 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.123 -2.234 -4.615 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.118 -1.104 -5.554 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.764 -1.391 -3.834 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.734 -1.390 -2.941 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.466 -0.500 -2.065 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.910 0.357 -2.653 1.00 0.00 H new ATOM 441 N GLY A 35 -2.437 0.944 -3.423 1.00 0.00 N ATOM 442 CA GLY A 35 -1.000 0.803 -3.598 1.00 0.00 C ATOM 443 C GLY A 35 -0.285 0.765 -2.247 1.00 0.00 C ATOM 444 O GLY A 35 -0.824 1.223 -1.241 1.00 0.00 O ATOM 0 H GLY A 35 -2.748 0.971 -2.452 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.785 -0.110 -4.153 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.619 1.634 -4.192 1.00 0.00 H new ATOM 448 N GLN A 36 0.919 0.211 -2.266 1.00 0.00 N ATOM 449 CA GLN A 36 1.715 0.108 -1.056 1.00 0.00 C ATOM 450 C GLN A 36 2.677 1.292 -0.948 1.00 0.00 C ATOM 451 O GLN A 36 3.753 1.279 -1.543 1.00 0.00 O ATOM 452 CB GLN A 36 2.473 -1.220 -1.011 1.00 0.00 C ATOM 453 CG GLN A 36 1.786 -2.275 -1.881 1.00 0.00 C ATOM 454 CD GLN A 36 2.755 -2.847 -2.918 1.00 0.00 C ATOM 455 OE1 GLN A 36 3.369 -1.923 -3.652 1.00 0.00 O flip ATOM 456 NE2 GLN A 36 2.933 -4.046 -3.042 1.00 0.00 N flip ATOM 0 H GLN A 36 1.362 -0.171 -3.101 1.00 0.00 H new ATOM 0 HA GLN A 36 1.042 0.135 -0.199 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.496 -1.070 -1.355 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.532 -1.574 0.018 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.406 -3.079 -1.251 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.927 -1.832 -2.386 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.428 -4.701 -2.445 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.587 -4.395 -3.743 1.00 0.00 H new ATOM 465 N CYS A 37 2.254 2.289 -0.184 1.00 0.00 N ATOM 466 CA CYS A 37 3.063 3.479 0.010 1.00 0.00 C ATOM 467 C CYS A 37 3.638 3.446 1.427 1.00 0.00 C ATOM 468 O CYS A 37 3.073 2.807 2.314 1.00 0.00 O ATOM 469 CB CYS A 37 2.264 4.759 -0.250 1.00 0.00 C ATOM 470 SG CYS A 37 3.275 6.219 -0.691 1.00 0.00 S ATOM 0 H CYS A 37 1.361 2.296 0.308 1.00 0.00 H new ATOM 0 HA CYS A 37 3.879 3.485 -0.713 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.554 4.570 -1.055 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.681 4.994 0.641 1.00 0.00 H new ATOM 475 N ALA A 38 4.754 4.140 1.597 1.00 0.00 N ATOM 476 CA ALA A 38 5.410 4.198 2.892 1.00 0.00 C ATOM 477 C ALA A 38 6.746 4.929 2.750 1.00 0.00 C ATOM 478 O ALA A 38 7.275 5.056 1.647 1.00 0.00 O ATOM 479 CB ALA A 38 5.577 2.779 3.442 1.00 0.00 C ATOM 0 H ALA A 38 5.221 4.667 0.859 1.00 0.00 H new ATOM 0 HA ALA A 38 4.804 4.756 3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.069 2.821 4.414 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.597 2.313 3.551 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.183 2.191 2.753 1.00 0.00 H new ATOM 485 N TRP A 39 7.252 5.392 3.883 1.00 0.00 N ATOM 486 CA TRP A 39 8.518 6.107 3.899 1.00 0.00 C ATOM 487 C TRP A 39 9.601 5.167 3.369 1.00 0.00 C ATOM 488 O TRP A 39 9.849 4.112 3.950 1.00 0.00 O ATOM 489 CB TRP A 39 8.826 6.647 5.297 1.00 0.00 C ATOM 490 CG TRP A 39 8.914 5.565 6.375 1.00 0.00 C ATOM 491 CD1 TRP A 39 7.907 4.922 6.983 1.00 0.00 C ATOM 492 CD2 TRP A 39 10.120 5.021 6.951 1.00 0.00 C ATOM 493 NE1 TRP A 39 8.374 4.008 7.905 1.00 0.00 N ATOM 494 CE2 TRP A 39 9.764 4.071 7.886 1.00 0.00 C ATOM 495 CE3 TRP A 39 11.468 5.324 6.693 1.00 0.00 C ATOM 496 CZ2 TRP A 39 10.696 3.345 8.637 1.00 0.00 C ATOM 497 CZ3 TRP A 39 12.389 4.591 7.450 1.00 0.00 C ATOM 498 CH2 TRP A 39 12.046 3.630 8.395 1.00 0.00 C ATOM 0 H TRP A 39 6.809 5.287 4.796 1.00 0.00 H new ATOM 0 HA TRP A 39 8.473 6.983 3.252 1.00 0.00 H new ATOM 0 HB2 TRP A 39 9.770 7.192 5.265 1.00 0.00 H new ATOM 0 HB3 TRP A 39 8.054 7.363 5.577 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.861 5.097 6.777 1.00 0.00 H new ATOM 0 HE1 TRP A 39 7.805 3.398 8.492 1.00 0.00 H new ATOM 0 HE3 TRP A 39 11.770 6.065 5.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 10.391 2.606 9.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 13.439 4.785 7.289 1.00 0.00 H new ATOM 0 HH2 TRP A 39 12.817 3.106 8.940 1.00 0.00 H new ATOM 509 N VAL A 40 10.217 5.582 2.271 1.00 0.00 N ATOM 510 CA VAL A 40 11.268 4.788 1.657 1.00 0.00 C ATOM 511 C VAL A 40 12.631 5.349 2.070 1.00 0.00 C ATOM 512 O VAL A 40 13.537 4.595 2.418 1.00 0.00 O ATOM 513 CB VAL A 40 11.072 4.744 0.140 1.00 0.00 C ATOM 514 CG1 VAL A 40 11.972 5.765 -0.558 1.00 0.00 C ATOM 515 CG2 VAL A 40 11.315 3.336 -0.403 1.00 0.00 C ATOM 0 H VAL A 40 10.008 6.458 1.791 1.00 0.00 H new ATOM 0 HA VAL A 40 11.222 3.756 2.006 1.00 0.00 H new ATOM 0 HB VAL A 40 10.037 5.010 -0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.813 5.713 -1.635 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.729 6.767 -0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.015 5.544 -0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.169 3.332 -1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.335 3.029 -0.174 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.614 2.641 0.060 1.00 0.00 H new ATOM 525 N ASP A 41 12.732 6.669 2.013 1.00 0.00 N ATOM 526 CA ASP A 41 13.970 7.340 2.376 1.00 0.00 C ATOM 527 C ASP A 41 14.021 7.522 3.893 1.00 0.00 C ATOM 528 O ASP A 41 13.427 6.742 4.635 1.00 0.00 O ATOM 529 CB ASP A 41 14.054 8.725 1.728 1.00 0.00 C ATOM 530 CG ASP A 41 15.439 9.109 1.204 1.00 0.00 C ATOM 531 OD1 ASP A 41 15.760 8.671 0.076 1.00 0.00 O ATOM 532 OD2 ASP A 41 16.145 9.830 1.939 1.00 0.00 O ATOM 0 H ASP A 41 11.978 7.291 1.721 1.00 0.00 H new ATOM 0 HA ASP A 41 14.802 6.727 2.028 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.345 8.767 0.901 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.738 9.471 2.457 1.00 0.00 H new ATOM 538 N THR A 42 14.734 8.558 4.309 1.00 0.00 N ATOM 539 CA THR A 42 14.872 8.852 5.725 1.00 0.00 C ATOM 540 C THR A 42 13.605 9.533 6.252 1.00 0.00 C ATOM 541 O THR A 42 13.675 10.610 6.839 1.00 0.00 O ATOM 542 CB THR A 42 16.136 9.693 5.913 1.00 0.00 C ATOM 543 OG1 THR A 42 16.182 9.939 7.317 1.00 0.00 O ATOM 544 CG2 THR A 42 16.011 11.085 5.294 1.00 0.00 C ATOM 0 H THR A 42 15.223 9.205 3.690 1.00 0.00 H new ATOM 0 HA THR A 42 14.982 7.939 6.310 1.00 0.00 H new ATOM 0 HB THR A 42 16.986 9.175 5.470 1.00 0.00 H new ATOM 0 HG1 THR A 42 15.390 10.450 7.586 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.935 11.640 5.456 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.826 10.992 4.224 1.00 0.00 H new ATOM 0 HG23 THR A 42 15.182 11.617 5.760 1.00 0.00 H new ATOM 552 N GLY A 43 12.480 8.873 6.022 1.00 0.00 N ATOM 553 CA GLY A 43 11.202 9.401 6.468 1.00 0.00 C ATOM 554 C GLY A 43 10.415 9.993 5.296 1.00 0.00 C ATOM 555 O GLY A 43 9.243 10.336 5.440 1.00 0.00 O ATOM 0 H GLY A 43 12.427 7.979 5.534 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.620 8.608 6.938 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.365 10.168 7.225 1.00 0.00 H new ATOM 559 N VAL A 44 11.092 10.094 4.161 1.00 0.00 N ATOM 560 CA VAL A 44 10.471 10.638 2.965 1.00 0.00 C ATOM 561 C VAL A 44 9.426 9.652 2.444 1.00 0.00 C ATOM 562 O VAL A 44 9.770 8.563 1.984 1.00 0.00 O ATOM 563 CB VAL A 44 11.544 10.977 1.928 1.00 0.00 C ATOM 564 CG1 VAL A 44 10.914 11.548 0.656 1.00 0.00 C ATOM 565 CG2 VAL A 44 12.582 11.941 2.506 1.00 0.00 C ATOM 0 H VAL A 44 12.064 9.808 4.045 1.00 0.00 H new ATOM 0 HA VAL A 44 9.952 11.569 3.193 1.00 0.00 H new ATOM 0 HB VAL A 44 12.058 10.053 1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.697 11.781 -0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.232 10.814 0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.363 12.457 0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.333 12.165 1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.090 12.864 2.813 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.064 11.482 3.369 1.00 0.00 H new ATOM 575 N LEU A 45 8.170 10.066 2.532 1.00 0.00 N ATOM 576 CA LEU A 45 7.073 9.231 2.075 1.00 0.00 C ATOM 577 C LEU A 45 7.247 8.939 0.582 1.00 0.00 C ATOM 578 O LEU A 45 7.146 9.843 -0.246 1.00 0.00 O ATOM 579 CB LEU A 45 5.730 9.874 2.422 1.00 0.00 C ATOM 580 CG LEU A 45 4.485 9.047 2.094 1.00 0.00 C ATOM 581 CD1 LEU A 45 4.425 8.715 0.604 1.00 0.00 C ATOM 582 CD2 LEU A 45 4.417 7.792 2.966 1.00 0.00 C ATOM 0 H LEU A 45 7.888 10.969 2.913 1.00 0.00 H new ATOM 0 HA LEU A 45 7.084 8.271 2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.722 10.098 3.489 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.659 10.826 1.896 1.00 0.00 H new ATOM 0 HG LEU A 45 3.605 9.647 2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.531 8.127 0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.393 9.639 0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.309 8.142 0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.523 7.221 2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.301 7.179 2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.379 8.080 4.016 1.00 0.00 H new ATOM 594 N ALA A 46 7.505 7.674 0.285 1.00 0.00 N ATOM 595 CA ALA A 46 7.693 7.253 -1.092 1.00 0.00 C ATOM 596 C ALA A 46 6.748 6.091 -1.400 1.00 0.00 C ATOM 597 O ALA A 46 6.585 5.185 -0.586 1.00 0.00 O ATOM 598 CB ALA A 46 9.161 6.881 -1.316 1.00 0.00 C ATOM 0 H ALA A 46 7.588 6.927 0.975 1.00 0.00 H new ATOM 0 HA ALA A 46 7.452 8.066 -1.777 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.303 6.565 -2.349 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.791 7.747 -1.112 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.436 6.066 -0.646 1.00 0.00 H new ATOM 604 N CYS A 47 6.143 6.159 -2.578 1.00 0.00 N ATOM 605 CA CYS A 47 5.215 5.125 -3.004 1.00 0.00 C ATOM 606 C CYS A 47 5.909 4.263 -4.059 1.00 0.00 C ATOM 607 O CYS A 47 6.793 4.737 -4.770 1.00 0.00 O ATOM 608 CB CYS A 47 3.904 5.721 -3.523 1.00 0.00 C ATOM 609 SG CYS A 47 3.178 7.021 -2.460 1.00 0.00 S ATOM 0 H CYS A 47 6.278 6.914 -3.250 1.00 0.00 H new ATOM 0 HA CYS A 47 4.942 4.503 -2.152 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.078 6.138 -4.515 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.177 4.918 -3.638 1.00 0.00 H new ATOM 614 N ASN A 48 5.482 3.011 -4.130 1.00 0.00 N ATOM 615 CA ASN A 48 6.048 2.078 -5.088 1.00 0.00 C ATOM 616 C ASN A 48 5.373 2.270 -6.446 1.00 0.00 C ATOM 617 O ASN A 48 4.322 2.907 -6.534 1.00 0.00 O ATOM 618 CB ASN A 48 5.824 0.630 -4.649 1.00 0.00 C ATOM 619 CG ASN A 48 5.841 0.511 -3.122 1.00 0.00 C ATOM 620 OD1 ASN A 48 6.613 1.411 -2.519 1.00 0.00 O flip ATOM 621 ND2 ASN A 48 5.195 -0.340 -2.533 1.00 0.00 N flip ATOM 0 H ASN A 48 4.749 2.621 -3.538 1.00 0.00 H new ATOM 0 HA ASN A 48 7.118 2.273 -5.152 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.869 0.273 -5.035 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.599 -0.007 -5.076 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.622 -1.000 -3.059 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.227 -0.391 -1.515 1.00 0.00 H new ATOM 628 N PRO A 49 6.015 1.695 -7.497 1.00 0.00 N ATOM 629 CA PRO A 49 5.485 1.799 -8.847 1.00 0.00 C ATOM 630 C PRO A 49 4.281 0.875 -9.033 1.00 0.00 C ATOM 631 O PRO A 49 3.590 0.948 -10.050 1.00 0.00 O ATOM 632 CB PRO A 49 6.652 1.446 -9.756 1.00 0.00 C ATOM 633 CG PRO A 49 7.653 0.712 -8.880 1.00 0.00 C ATOM 634 CD PRO A 49 7.260 0.936 -7.429 1.00 0.00 C ATOM 0 HA PRO A 49 5.107 2.795 -9.076 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.325 0.819 -10.586 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.095 2.343 -10.189 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.656 -0.353 -9.114 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.662 1.081 -9.063 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.119 -0.010 -6.906 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.031 1.487 -6.890 1.00 0.00 H new ATOM 642 N ALA A 50 4.065 0.027 -8.037 1.00 0.00 N ATOM 643 CA ALA A 50 2.955 -0.909 -8.081 1.00 0.00 C ATOM 644 C ALA A 50 1.865 -0.449 -7.111 1.00 0.00 C ATOM 645 O ALA A 50 0.962 -1.214 -6.778 1.00 0.00 O ATOM 646 CB ALA A 50 3.464 -2.316 -7.761 1.00 0.00 C ATOM 0 H ALA A 50 4.639 -0.031 -7.196 1.00 0.00 H new ATOM 0 HA ALA A 50 2.516 -0.938 -9.078 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.632 -3.020 -7.794 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.215 -2.607 -8.496 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.908 -2.325 -6.766 1.00 0.00 H new ATOM 652 N ASP A 51 1.987 0.801 -6.685 1.00 0.00 N ATOM 653 CA ASP A 51 1.024 1.374 -5.761 1.00 0.00 C ATOM 654 C ASP A 51 -0.140 1.976 -6.551 1.00 0.00 C ATOM 655 O ASP A 51 -0.993 2.657 -5.984 1.00 0.00 O ATOM 656 CB ASP A 51 1.657 2.488 -4.928 1.00 0.00 C ATOM 657 CG ASP A 51 0.686 3.573 -4.455 1.00 0.00 C ATOM 658 OD1 ASP A 51 0.243 3.470 -3.292 1.00 0.00 O ATOM 659 OD2 ASP A 51 0.410 4.481 -5.269 1.00 0.00 O ATOM 0 H ASP A 51 2.738 1.432 -6.963 1.00 0.00 H new ATOM 0 HA ASP A 51 0.679 0.580 -5.099 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.134 2.042 -4.055 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.445 2.958 -5.516 1.00 0.00 H new ATOM 665 N PHE A 52 -0.136 1.703 -7.848 1.00 0.00 N ATOM 666 CA PHE A 52 -1.182 2.210 -8.722 1.00 0.00 C ATOM 667 C PHE A 52 -2.149 1.094 -9.122 1.00 0.00 C ATOM 668 O PHE A 52 -1.911 0.378 -10.093 1.00 0.00 O ATOM 669 CB PHE A 52 -0.491 2.745 -9.980 1.00 0.00 C ATOM 670 CG PHE A 52 0.907 3.312 -9.727 1.00 0.00 C ATOM 671 CD1 PHE A 52 1.161 4.020 -8.595 1.00 0.00 C ATOM 672 CD2 PHE A 52 1.897 3.105 -10.637 1.00 0.00 C ATOM 673 CE1 PHE A 52 2.459 4.545 -8.362 1.00 0.00 C ATOM 674 CE2 PHE A 52 3.196 3.631 -10.403 1.00 0.00 C ATOM 675 CZ PHE A 52 3.450 4.340 -9.271 1.00 0.00 C ATOM 0 H PHE A 52 0.574 1.138 -8.315 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.754 2.984 -8.210 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.419 1.941 -10.713 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.114 3.523 -10.421 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.375 4.183 -7.873 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.696 2.542 -11.536 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.660 5.108 -7.462 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.982 3.467 -11.125 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.437 4.740 -9.094 1.00 0.00 H new ATOM 685 N SER A 53 -3.222 0.981 -8.352 1.00 0.00 N ATOM 686 CA SER A 53 -4.227 -0.035 -8.614 1.00 0.00 C ATOM 687 C SER A 53 -5.612 0.489 -8.227 1.00 0.00 C ATOM 688 O SER A 53 -6.093 0.229 -7.126 1.00 0.00 O ATOM 689 CB SER A 53 -3.917 -1.326 -7.854 1.00 0.00 C ATOM 690 OG SER A 53 -3.688 -2.423 -8.737 1.00 0.00 O ATOM 0 H SER A 53 -3.417 1.576 -7.547 1.00 0.00 H new ATOM 0 HA SER A 53 -4.215 -0.262 -9.680 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.038 -1.176 -7.227 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.747 -1.563 -7.188 1.00 0.00 H new ATOM 0 HG SER A 53 -4.391 -3.095 -8.613 1.00 0.00 H new ATOM 696 N SER A 54 -6.214 1.216 -9.156 1.00 0.00 N ATOM 697 CA SER A 54 -7.535 1.777 -8.926 1.00 0.00 C ATOM 698 C SER A 54 -8.385 0.803 -8.106 1.00 0.00 C ATOM 699 O SER A 54 -8.304 -0.408 -8.301 1.00 0.00 O ATOM 700 CB SER A 54 -8.232 2.106 -10.250 1.00 0.00 C ATOM 701 OG SER A 54 -8.574 0.930 -10.978 1.00 0.00 O ATOM 0 H SER A 54 -5.812 1.430 -10.069 1.00 0.00 H new ATOM 0 HA SER A 54 -7.418 2.705 -8.366 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.134 2.685 -10.051 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.579 2.732 -10.858 1.00 0.00 H new ATOM 0 HG SER A 54 -9.018 1.181 -11.815 1.00 0.00 H new ATOM 707 N VAL A 55 -9.175 1.369 -7.209 1.00 0.00 N ATOM 708 CA VAL A 55 -10.038 0.564 -6.359 1.00 0.00 C ATOM 709 C VAL A 55 -11.314 1.349 -6.048 1.00 0.00 C ATOM 710 O VAL A 55 -11.339 2.573 -6.167 1.00 0.00 O ATOM 711 CB VAL A 55 -9.279 0.134 -5.103 1.00 0.00 C ATOM 712 CG1 VAL A 55 -8.819 1.349 -4.296 1.00 0.00 C ATOM 713 CG2 VAL A 55 -10.129 -0.805 -4.244 1.00 0.00 C ATOM 0 H VAL A 55 -9.237 2.375 -7.051 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.336 -0.351 -6.872 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.391 -0.413 -5.420 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.282 1.014 -3.408 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.160 1.964 -4.908 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.687 1.936 -3.995 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.566 -1.096 -3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.043 -0.294 -3.942 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.384 -1.695 -4.820 1.00 0.00 H new ATOM 723 N THR A 56 -12.343 0.612 -5.654 1.00 0.00 N ATOM 724 CA THR A 56 -13.619 1.223 -5.326 1.00 0.00 C ATOM 725 C THR A 56 -14.317 0.434 -4.215 1.00 0.00 C ATOM 726 O THR A 56 -14.330 -0.795 -4.237 1.00 0.00 O ATOM 727 CB THR A 56 -14.442 1.321 -6.610 1.00 0.00 C ATOM 728 OG1 THR A 56 -14.688 2.717 -6.760 1.00 0.00 O ATOM 729 CG2 THR A 56 -15.837 0.711 -6.461 1.00 0.00 C ATOM 0 H THR A 56 -12.318 -0.403 -5.555 1.00 0.00 H new ATOM 0 HA THR A 56 -13.485 2.231 -4.933 1.00 0.00 H new ATOM 0 HB THR A 56 -13.911 0.819 -7.419 1.00 0.00 H new ATOM 0 HG1 THR A 56 -15.179 3.048 -5.979 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.379 0.808 -7.402 1.00 0.00 H new ATOM 0 HG22 THR A 56 -15.747 -0.344 -6.201 1.00 0.00 H new ATOM 0 HG23 THR A 56 -16.381 1.234 -5.674 1.00 0.00 H new ATOM 737 N ALA A 57 -14.880 1.174 -3.272 1.00 0.00 N ATOM 738 CA ALA A 57 -15.579 0.559 -2.155 1.00 0.00 C ATOM 739 C ALA A 57 -17.086 0.741 -2.340 1.00 0.00 C ATOM 740 O ALA A 57 -17.537 1.793 -2.788 1.00 0.00 O ATOM 741 CB ALA A 57 -15.074 1.164 -0.842 1.00 0.00 C ATOM 0 H ALA A 57 -14.867 2.194 -3.258 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.379 -0.512 -2.119 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.598 0.704 -0.004 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.004 0.982 -0.745 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.261 2.238 -0.841 1.00 0.00 H new ATOM 747 N ASP A 58 -17.822 -0.302 -1.985 1.00 0.00 N ATOM 748 CA ASP A 58 -19.270 -0.272 -2.106 1.00 0.00 C ATOM 749 C ASP A 58 -19.830 0.830 -1.204 1.00 0.00 C ATOM 750 O ASP A 58 -19.169 1.258 -0.259 1.00 0.00 O ATOM 751 CB ASP A 58 -19.888 -1.600 -1.669 1.00 0.00 C ATOM 752 CG ASP A 58 -19.034 -2.836 -1.955 1.00 0.00 C ATOM 753 OD1 ASP A 58 -19.379 -3.906 -1.408 1.00 0.00 O ATOM 754 OD2 ASP A 58 -18.052 -2.685 -2.716 1.00 0.00 O ATOM 0 H ASP A 58 -17.443 -1.173 -1.614 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.517 -0.087 -3.152 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -20.088 -1.555 -0.599 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.850 -1.718 -2.169 1.00 0.00 H new ATOM 760 N ALA A 59 -21.042 1.258 -1.528 1.00 0.00 N ATOM 761 CA ALA A 59 -21.697 2.301 -0.759 1.00 0.00 C ATOM 762 C ALA A 59 -21.443 2.067 0.731 1.00 0.00 C ATOM 763 O ALA A 59 -21.411 3.013 1.516 1.00 0.00 O ATOM 764 CB ALA A 59 -23.188 2.326 -1.099 1.00 0.00 C ATOM 0 H ALA A 59 -21.587 0.901 -2.313 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.288 3.279 -1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.680 3.109 -0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -23.315 2.525 -2.163 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.633 1.361 -0.855 1.00 0.00 H new ATOM 770 N ASN A 60 -21.268 0.799 1.077 1.00 0.00 N ATOM 771 CA ASN A 60 -21.018 0.428 2.460 1.00 0.00 C ATOM 772 C ASN A 60 -19.514 0.478 2.732 1.00 0.00 C ATOM 773 O ASN A 60 -18.989 -0.329 3.499 1.00 0.00 O ATOM 774 CB ASN A 60 -21.502 -0.994 2.745 1.00 0.00 C ATOM 775 CG ASN A 60 -22.237 -1.066 4.085 1.00 0.00 C ATOM 776 OD1 ASN A 60 -22.437 -0.073 4.765 1.00 0.00 O ATOM 777 ND2 ASN A 60 -22.624 -2.293 4.425 1.00 0.00 N ATOM 0 H ASN A 60 -21.294 0.016 0.424 1.00 0.00 H new ATOM 0 HA ASN A 60 -21.557 1.127 3.099 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -22.165 -1.323 1.945 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.652 -1.676 2.756 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.121 -2.446 5.302 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -22.424 -3.080 3.808 1.00 0.00 H new ATOM 784 N GLY A 61 -18.861 1.436 2.089 1.00 0.00 N ATOM 785 CA GLY A 61 -17.426 1.601 2.251 1.00 0.00 C ATOM 786 C GLY A 61 -16.713 0.248 2.252 1.00 0.00 C ATOM 787 O GLY A 61 -15.765 0.041 3.006 1.00 0.00 O ATOM 0 H GLY A 61 -19.299 2.105 1.456 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.035 2.221 1.444 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.220 2.125 3.184 1.00 0.00 H new ATOM 791 N SER A 62 -17.198 -0.640 1.395 1.00 0.00 N ATOM 792 CA SER A 62 -16.619 -1.968 1.285 1.00 0.00 C ATOM 793 C SER A 62 -15.672 -2.029 0.086 1.00 0.00 C ATOM 794 O SER A 62 -16.112 -2.219 -1.048 1.00 0.00 O ATOM 795 CB SER A 62 -17.709 -3.036 1.156 1.00 0.00 C ATOM 796 OG SER A 62 -18.881 -2.693 1.891 1.00 0.00 O ATOM 0 H SER A 62 -17.985 -0.465 0.771 1.00 0.00 H new ATOM 0 HA SER A 62 -16.055 -2.171 2.195 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.966 -3.167 0.105 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.324 -3.992 1.512 1.00 0.00 H new ATOM 0 HG SER A 62 -19.553 -3.398 1.782 1.00 0.00 H new ATOM 802 N ALA A 63 -14.390 -1.862 0.375 1.00 0.00 N ATOM 803 CA ALA A 63 -13.376 -1.897 -0.665 1.00 0.00 C ATOM 804 C ALA A 63 -12.608 -3.215 -0.581 1.00 0.00 C ATOM 805 O ALA A 63 -11.514 -3.265 -0.018 1.00 0.00 O ATOM 806 CB ALA A 63 -12.464 -0.676 -0.528 1.00 0.00 C ATOM 0 H ALA A 63 -14.030 -1.702 1.316 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.836 -1.850 -1.652 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.703 -0.701 -1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.056 0.234 -0.628 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.982 -0.689 0.450 1.00 0.00 H new ATOM 812 N SER A 64 -13.209 -4.252 -1.145 1.00 0.00 N ATOM 813 CA SER A 64 -12.592 -5.569 -1.139 1.00 0.00 C ATOM 814 C SER A 64 -11.729 -5.747 -2.390 1.00 0.00 C ATOM 815 O SER A 64 -12.129 -6.429 -3.332 1.00 0.00 O ATOM 816 CB SER A 64 -13.651 -6.671 -1.063 1.00 0.00 C ATOM 817 OG SER A 64 -14.672 -6.499 -2.043 1.00 0.00 O ATOM 0 H SER A 64 -14.116 -4.208 -1.609 1.00 0.00 H new ATOM 0 HA SER A 64 -11.959 -5.648 -0.255 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.175 -7.642 -1.202 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.099 -6.675 -0.069 1.00 0.00 H new ATOM 0 HG SER A 64 -14.265 -6.444 -2.933 1.00 0.00 H new ATOM 823 N THR A 65 -10.560 -5.124 -2.357 1.00 0.00 N ATOM 824 CA THR A 65 -9.637 -5.206 -3.474 1.00 0.00 C ATOM 825 C THR A 65 -8.418 -6.051 -3.101 1.00 0.00 C ATOM 826 O THR A 65 -7.929 -5.974 -1.973 1.00 0.00 O ATOM 827 CB THR A 65 -9.281 -3.780 -3.899 1.00 0.00 C ATOM 828 OG1 THR A 65 -9.182 -3.854 -5.319 1.00 0.00 O ATOM 829 CG2 THR A 65 -7.876 -3.369 -3.451 1.00 0.00 C ATOM 0 H THR A 65 -10.232 -4.560 -1.573 1.00 0.00 H new ATOM 0 HA THR A 65 -10.093 -5.711 -4.326 1.00 0.00 H new ATOM 0 HB THR A 65 -10.013 -3.086 -3.486 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.803 -3.019 -5.664 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.674 -2.349 -3.778 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.811 -3.421 -2.364 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.142 -4.044 -3.891 1.00 0.00 H new ATOM 837 N SER A 66 -7.962 -6.837 -4.065 1.00 0.00 N ATOM 838 CA SER A 66 -6.811 -7.695 -3.849 1.00 0.00 C ATOM 839 C SER A 66 -5.569 -7.078 -4.499 1.00 0.00 C ATOM 840 O SER A 66 -5.682 -6.315 -5.457 1.00 0.00 O ATOM 841 CB SER A 66 -7.058 -9.099 -4.404 1.00 0.00 C ATOM 842 OG SER A 66 -7.367 -9.076 -5.794 1.00 0.00 O ATOM 0 H SER A 66 -8.370 -6.897 -4.998 1.00 0.00 H new ATOM 0 HA SER A 66 -6.646 -7.782 -2.775 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.174 -9.715 -4.239 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.878 -9.566 -3.858 1.00 0.00 H new ATOM 0 HG SER A 66 -7.516 -9.991 -6.111 1.00 0.00 H new ATOM 848 N LEU A 67 -4.417 -7.434 -3.952 1.00 0.00 N ATOM 849 CA LEU A 67 -3.157 -6.925 -4.466 1.00 0.00 C ATOM 850 C LEU A 67 -2.023 -7.864 -4.048 1.00 0.00 C ATOM 851 O LEU A 67 -2.211 -8.725 -3.188 1.00 0.00 O ATOM 852 CB LEU A 67 -2.946 -5.473 -4.030 1.00 0.00 C ATOM 853 CG LEU A 67 -2.549 -4.491 -5.134 1.00 0.00 C ATOM 854 CD1 LEU A 67 -3.766 -4.085 -5.969 1.00 0.00 C ATOM 855 CD2 LEU A 67 -1.822 -3.278 -4.553 1.00 0.00 C ATOM 0 H LEU A 67 -4.329 -8.069 -3.158 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.171 -6.907 -5.556 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.866 -5.116 -3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.175 -5.454 -3.260 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.851 -4.993 -5.804 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.457 -3.387 -6.747 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.203 -4.971 -6.430 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.506 -3.608 -5.326 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.551 -2.596 -5.359 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.476 -2.765 -3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.920 -3.607 -4.037 1.00 0.00 H new ATOM 867 N THR A 68 -0.872 -7.668 -4.674 1.00 0.00 N ATOM 868 CA THR A 68 0.292 -8.485 -4.377 1.00 0.00 C ATOM 869 C THR A 68 1.310 -7.686 -3.565 1.00 0.00 C ATOM 870 O THR A 68 1.552 -6.512 -3.845 1.00 0.00 O ATOM 871 CB THR A 68 0.848 -9.014 -5.702 1.00 0.00 C ATOM 872 OG1 THR A 68 -0.282 -9.594 -6.346 1.00 0.00 O ATOM 873 CG2 THR A 68 1.810 -10.188 -5.506 1.00 0.00 C ATOM 0 H THR A 68 -0.721 -6.954 -5.387 1.00 0.00 H new ATOM 0 HA THR A 68 0.028 -9.340 -3.755 1.00 0.00 H new ATOM 0 HB THR A 68 1.361 -8.209 -6.228 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.012 -9.960 -7.214 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.175 -10.525 -6.476 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.652 -9.870 -4.892 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.289 -11.007 -5.010 1.00 0.00 H new ATOM 881 N VAL A 69 1.884 -8.353 -2.574 1.00 0.00 N ATOM 882 CA VAL A 69 2.874 -7.721 -1.719 1.00 0.00 C ATOM 883 C VAL A 69 4.262 -7.896 -2.335 1.00 0.00 C ATOM 884 O VAL A 69 5.000 -8.807 -1.963 1.00 0.00 O ATOM 885 CB VAL A 69 2.775 -8.284 -0.298 1.00 0.00 C ATOM 886 CG1 VAL A 69 3.647 -7.484 0.670 1.00 0.00 C ATOM 887 CG2 VAL A 69 1.320 -8.321 0.176 1.00 0.00 C ATOM 0 H VAL A 69 1.682 -9.326 -2.344 1.00 0.00 H new ATOM 0 HA VAL A 69 2.685 -6.650 -1.645 1.00 0.00 H new ATOM 0 HB VAL A 69 3.148 -9.308 -0.316 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.559 -7.904 1.672 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.687 -7.531 0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.318 -6.445 0.682 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.277 -8.725 1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.910 -7.311 0.171 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.736 -8.954 -0.492 1.00 0.00 H new ATOM 897 N ARG A 70 4.576 -7.008 -3.268 1.00 0.00 N ATOM 898 CA ARG A 70 5.865 -7.053 -3.940 1.00 0.00 C ATOM 899 C ARG A 70 6.896 -6.230 -3.166 1.00 0.00 C ATOM 900 O ARG A 70 7.368 -5.204 -3.652 1.00 0.00 O ATOM 901 CB ARG A 70 5.758 -6.513 -5.368 1.00 0.00 C ATOM 902 CG ARG A 70 4.863 -7.409 -6.226 1.00 0.00 C ATOM 903 CD ARG A 70 5.033 -7.088 -7.714 1.00 0.00 C ATOM 904 NE ARG A 70 3.730 -7.196 -8.406 1.00 0.00 N ATOM 905 CZ ARG A 70 3.590 -7.285 -9.736 1.00 0.00 C ATOM 906 NH1 ARG A 70 4.674 -7.278 -10.525 1.00 0.00 N ATOM 907 NH2 ARG A 70 2.368 -7.382 -10.277 1.00 0.00 N ATOM 0 H ARG A 70 3.961 -6.254 -3.574 1.00 0.00 H new ATOM 0 HA ARG A 70 6.184 -8.095 -3.980 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.354 -5.501 -5.349 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.751 -6.452 -5.813 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.109 -8.455 -6.045 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.821 -7.272 -5.937 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.436 -6.082 -7.834 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.751 -7.774 -8.163 1.00 0.00 H new ATOM 0 HE ARG A 70 2.885 -7.203 -7.835 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.604 -7.205 -10.113 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.568 -7.346 -11.537 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.543 -7.388 -9.677 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.262 -7.450 -11.289 1.00 0.00 H new ATOM 921 N ARG A 71 7.218 -6.713 -1.974 1.00 0.00 N ATOM 922 CA ARG A 71 8.185 -6.035 -1.128 1.00 0.00 C ATOM 923 C ARG A 71 9.294 -5.417 -1.981 1.00 0.00 C ATOM 924 O ARG A 71 9.842 -4.374 -1.632 1.00 0.00 O ATOM 925 CB ARG A 71 8.805 -7.002 -0.117 1.00 0.00 C ATOM 926 CG ARG A 71 9.542 -6.242 0.987 1.00 0.00 C ATOM 927 CD ARG A 71 9.973 -7.186 2.111 1.00 0.00 C ATOM 928 NE ARG A 71 8.779 -7.770 2.764 1.00 0.00 N ATOM 929 CZ ARG A 71 8.724 -8.111 4.059 1.00 0.00 C ATOM 930 NH1 ARG A 71 9.792 -7.927 4.847 1.00 0.00 N ATOM 931 NH2 ARG A 71 7.599 -8.632 4.566 1.00 0.00 N ATOM 0 H ARG A 71 6.826 -7.566 -1.575 1.00 0.00 H new ATOM 0 HA ARG A 71 7.659 -5.249 -0.586 1.00 0.00 H new ATOM 0 HB2 ARG A 71 8.025 -7.624 0.323 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.497 -7.672 -0.627 1.00 0.00 H new ATOM 0 HG2 ARG A 71 10.418 -5.745 0.569 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.896 -5.462 1.390 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.603 -7.979 1.710 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.571 -6.644 2.844 1.00 0.00 H new ATOM 0 HE ARG A 71 7.947 -7.922 2.193 1.00 0.00 H new ATOM 0 HH11 ARG A 71 10.647 -7.527 4.461 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.749 -8.187 5.832 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.785 -8.769 3.967 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.556 -8.892 5.551 1.00 0.00 H new ATOM 945 N SER A 72 9.594 -6.090 -3.083 1.00 0.00 N ATOM 946 CA SER A 72 10.629 -5.620 -3.989 1.00 0.00 C ATOM 947 C SER A 72 10.023 -4.679 -5.032 1.00 0.00 C ATOM 948 O SER A 72 9.316 -5.121 -5.937 1.00 0.00 O ATOM 949 CB SER A 72 11.333 -6.792 -4.675 1.00 0.00 C ATOM 950 OG SER A 72 10.424 -7.603 -5.414 1.00 0.00 O ATOM 0 H SER A 72 9.138 -6.957 -3.369 1.00 0.00 H new ATOM 0 HA SER A 72 11.373 -5.075 -3.407 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.104 -6.410 -5.344 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.836 -7.402 -3.925 1.00 0.00 H new ATOM 0 HG SER A 72 9.693 -7.047 -5.756 1.00 0.00 H new ATOM 956 N PHE A 73 10.324 -3.398 -4.873 1.00 0.00 N ATOM 957 CA PHE A 73 9.819 -2.392 -5.790 1.00 0.00 C ATOM 958 C PHE A 73 10.698 -1.140 -5.769 1.00 0.00 C ATOM 959 O PHE A 73 11.512 -0.964 -4.865 1.00 0.00 O ATOM 960 CB PHE A 73 8.412 -2.020 -5.316 1.00 0.00 C ATOM 961 CG PHE A 73 8.279 -1.907 -3.796 1.00 0.00 C ATOM 962 CD1 PHE A 73 9.132 -1.113 -3.096 1.00 0.00 C ATOM 963 CD2 PHE A 73 7.305 -2.600 -3.145 1.00 0.00 C ATOM 964 CE1 PHE A 73 9.007 -1.007 -1.685 1.00 0.00 C ATOM 965 CE2 PHE A 73 7.181 -2.494 -1.735 1.00 0.00 C ATOM 966 CZ PHE A 73 8.034 -1.700 -1.034 1.00 0.00 C ATOM 0 H PHE A 73 10.911 -3.035 -4.122 1.00 0.00 H new ATOM 0 HA PHE A 73 9.816 -2.784 -6.807 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.127 -1.070 -5.767 1.00 0.00 H new ATOM 0 HB3 PHE A 73 7.708 -2.769 -5.678 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.905 -0.563 -3.613 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.627 -3.230 -3.701 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.685 -0.376 -1.129 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.409 -3.044 -1.218 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.939 -1.620 0.039 1.00 0.00 H new ATOM 976 N GLU A 74 10.503 -0.303 -6.777 1.00 0.00 N ATOM 977 CA GLU A 74 11.270 0.928 -6.886 1.00 0.00 C ATOM 978 C GLU A 74 10.478 2.100 -6.300 1.00 0.00 C ATOM 979 O GLU A 74 9.759 2.789 -7.019 1.00 0.00 O ATOM 980 CB GLU A 74 11.661 1.204 -8.339 1.00 0.00 C ATOM 981 CG GLU A 74 12.770 2.255 -8.418 1.00 0.00 C ATOM 982 CD GLU A 74 13.141 2.550 -9.872 1.00 0.00 C ATOM 983 OE1 GLU A 74 12.254 3.051 -10.595 1.00 0.00 O ATOM 984 OE2 GLU A 74 14.307 2.272 -10.227 1.00 0.00 O ATOM 0 H GLU A 74 9.826 -0.452 -7.525 1.00 0.00 H new ATOM 0 HA GLU A 74 12.190 0.812 -6.312 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.996 0.280 -8.811 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.789 1.548 -8.895 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.442 3.172 -7.929 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.649 1.903 -7.879 1.00 0.00 H new ATOM 992 N GLY A 75 10.639 2.286 -4.997 1.00 0.00 N ATOM 993 CA GLY A 75 9.947 3.361 -4.305 1.00 0.00 C ATOM 994 C GLY A 75 10.152 4.695 -5.025 1.00 0.00 C ATOM 995 O GLY A 75 11.078 4.841 -5.822 1.00 0.00 O ATOM 0 H GLY A 75 11.237 1.711 -4.404 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.882 3.135 -4.246 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.314 3.436 -3.281 1.00 0.00 H new ATOM 999 N PHE A 76 9.269 5.635 -4.720 1.00 0.00 N ATOM 1000 CA PHE A 76 9.340 6.954 -5.329 1.00 0.00 C ATOM 1001 C PHE A 76 9.006 8.046 -4.311 1.00 0.00 C ATOM 1002 O PHE A 76 7.883 8.111 -3.811 1.00 0.00 O ATOM 1003 CB PHE A 76 8.301 6.984 -6.451 1.00 0.00 C ATOM 1004 CG PHE A 76 8.720 6.219 -7.708 1.00 0.00 C ATOM 1005 CD1 PHE A 76 8.509 4.878 -7.790 1.00 0.00 C ATOM 1006 CD2 PHE A 76 9.304 6.879 -8.744 1.00 0.00 C ATOM 1007 CE1 PHE A 76 8.899 4.168 -8.955 1.00 0.00 C ATOM 1008 CE2 PHE A 76 9.693 6.170 -9.909 1.00 0.00 C ATOM 1009 CZ PHE A 76 9.482 4.828 -9.992 1.00 0.00 C ATOM 0 H PHE A 76 8.501 5.510 -4.060 1.00 0.00 H new ATOM 0 HA PHE A 76 10.347 7.139 -5.702 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.366 6.565 -6.078 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.101 8.021 -6.719 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.044 4.353 -6.968 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.472 7.944 -8.679 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.733 3.103 -9.019 1.00 0.00 H new ATOM 0 HE2 PHE A 76 10.157 6.695 -10.731 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.777 4.288 -10.880 1.00 0.00 H new ATOM 1019 N LEU A 77 10.001 8.877 -4.034 1.00 0.00 N ATOM 1020 CA LEU A 77 9.825 9.963 -3.086 1.00 0.00 C ATOM 1021 C LEU A 77 8.672 10.857 -3.546 1.00 0.00 C ATOM 1022 O LEU A 77 8.575 11.193 -4.726 1.00 0.00 O ATOM 1023 CB LEU A 77 11.142 10.715 -2.884 1.00 0.00 C ATOM 1024 CG LEU A 77 12.393 9.848 -2.724 1.00 0.00 C ATOM 1025 CD1 LEU A 77 13.615 10.703 -2.380 1.00 0.00 C ATOM 1026 CD2 LEU A 77 12.163 8.739 -1.695 1.00 0.00 C ATOM 0 H LEU A 77 10.931 8.819 -4.450 1.00 0.00 H new ATOM 0 HA LEU A 77 9.553 9.572 -2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 77 11.292 11.380 -3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.046 11.345 -2.000 1.00 0.00 H new ATOM 0 HG LEU A 77 12.597 9.365 -3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.489 10.061 -2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.791 11.424 -3.178 1.00 0.00 H new ATOM 0 HD13 LEU A 77 13.436 11.233 -1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.067 8.137 -1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.920 9.183 -0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.338 8.105 -2.021 1.00 0.00 H new ATOM 1038 N PHE A 78 7.829 11.217 -2.590 1.00 0.00 N ATOM 1039 CA PHE A 78 6.683 12.065 -2.884 1.00 0.00 C ATOM 1040 C PHE A 78 7.127 13.378 -3.533 1.00 0.00 C ATOM 1041 O PHE A 78 6.393 13.961 -4.328 1.00 0.00 O ATOM 1042 CB PHE A 78 6.003 12.375 -1.550 1.00 0.00 C ATOM 1043 CG PHE A 78 6.771 13.366 -0.674 1.00 0.00 C ATOM 1044 CD1 PHE A 78 6.675 14.702 -0.915 1.00 0.00 C ATOM 1045 CD2 PHE A 78 7.550 12.913 0.346 1.00 0.00 C ATOM 1046 CE1 PHE A 78 7.388 15.622 -0.101 1.00 0.00 C ATOM 1047 CE2 PHE A 78 8.263 13.832 1.158 1.00 0.00 C ATOM 1048 CZ PHE A 78 8.167 15.169 0.917 1.00 0.00 C ATOM 0 H PHE A 78 7.915 10.938 -1.613 1.00 0.00 H new ATOM 0 HA PHE A 78 6.011 11.557 -3.575 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.008 12.775 -1.746 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.870 11.445 -0.997 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.057 15.062 -1.724 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.625 11.853 0.537 1.00 0.00 H new ATOM 0 HE1 PHE A 78 7.311 16.682 -0.291 1.00 0.00 H new ATOM 0 HE2 PHE A 78 8.882 13.472 1.967 1.00 0.00 H new ATOM 0 HZ PHE A 78 8.710 15.869 1.535 1.00 0.00 H new ATOM 1058 N ASP A 79 8.328 13.805 -3.169 1.00 0.00 N ATOM 1059 CA ASP A 79 8.878 15.039 -3.706 1.00 0.00 C ATOM 1060 C ASP A 79 8.774 15.014 -5.231 1.00 0.00 C ATOM 1061 O ASP A 79 8.785 16.063 -5.873 1.00 0.00 O ATOM 1062 CB ASP A 79 10.353 15.192 -3.331 1.00 0.00 C ATOM 1063 CG ASP A 79 10.990 16.520 -3.746 1.00 0.00 C ATOM 1064 OD1 ASP A 79 11.588 16.546 -4.844 1.00 0.00 O ATOM 1065 OD2 ASP A 79 10.865 17.481 -2.955 1.00 0.00 O ATOM 0 H ASP A 79 8.935 13.319 -2.509 1.00 0.00 H new ATOM 0 HA ASP A 79 8.314 15.873 -3.289 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.452 15.080 -2.251 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.915 14.378 -3.788 1.00 0.00 H new ATOM 1071 N GLY A 80 8.683 13.807 -5.768 1.00 0.00 N ATOM 1072 CA GLY A 80 8.579 13.635 -7.207 1.00 0.00 C ATOM 1073 C GLY A 80 9.776 12.850 -7.751 1.00 0.00 C ATOM 1074 O GLY A 80 9.733 12.349 -8.875 1.00 0.00 O ATOM 0 H GLY A 80 8.679 12.939 -5.233 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.655 13.110 -7.449 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.528 14.610 -7.691 1.00 0.00 H new ATOM 1078 N THR A 81 10.812 12.769 -6.931 1.00 0.00 N ATOM 1079 CA THR A 81 12.017 12.054 -7.315 1.00 0.00 C ATOM 1080 C THR A 81 11.911 10.580 -6.923 1.00 0.00 C ATOM 1081 O THR A 81 11.519 10.259 -5.801 1.00 0.00 O ATOM 1082 CB THR A 81 13.213 12.769 -6.683 1.00 0.00 C ATOM 1083 OG1 THR A 81 13.083 14.119 -7.122 1.00 0.00 O ATOM 1084 CG2 THR A 81 14.548 12.310 -7.273 1.00 0.00 C ATOM 0 H THR A 81 10.842 13.187 -6.001 1.00 0.00 H new ATOM 0 HA THR A 81 12.153 12.059 -8.397 1.00 0.00 H new ATOM 0 HB THR A 81 13.213 12.594 -5.607 1.00 0.00 H new ATOM 0 HG1 THR A 81 13.818 14.654 -6.756 1.00 0.00 H new ATOM 0 HG21 THR A 81 15.364 12.848 -6.790 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.671 11.240 -7.107 1.00 0.00 H new ATOM 0 HG23 THR A 81 14.562 12.515 -8.344 1.00 0.00 H new ATOM 1092 N ARG A 82 12.269 9.721 -7.868 1.00 0.00 N ATOM 1093 CA ARG A 82 12.220 8.289 -7.634 1.00 0.00 C ATOM 1094 C ARG A 82 13.420 7.845 -6.795 1.00 0.00 C ATOM 1095 O ARG A 82 14.537 8.310 -7.012 1.00 0.00 O ATOM 1096 CB ARG A 82 12.215 7.514 -8.953 1.00 0.00 C ATOM 1097 CG ARG A 82 13.479 7.806 -9.764 1.00 0.00 C ATOM 1098 CD ARG A 82 13.140 8.543 -11.061 1.00 0.00 C ATOM 1099 NE ARG A 82 14.346 8.647 -11.913 1.00 0.00 N ATOM 1100 CZ ARG A 82 14.379 9.280 -13.094 1.00 0.00 C ATOM 1101 NH1 ARG A 82 13.273 9.864 -13.572 1.00 0.00 N ATOM 1102 NH2 ARG A 82 15.520 9.326 -13.798 1.00 0.00 N ATOM 0 H ARG A 82 12.594 9.991 -8.797 1.00 0.00 H new ATOM 0 HA ARG A 82 11.297 8.074 -7.096 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.147 6.445 -8.751 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.334 7.785 -9.535 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.166 8.407 -9.169 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.991 6.872 -9.995 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.352 8.013 -11.595 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.758 9.538 -10.834 1.00 0.00 H new ATOM 0 HE ARG A 82 15.205 8.210 -11.581 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.405 9.827 -13.037 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.298 10.346 -14.471 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.362 8.879 -13.434 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.546 9.808 -14.697 1.00 0.00 H new ATOM 1116 N TRP A 83 13.148 6.951 -5.855 1.00 0.00 N ATOM 1117 CA TRP A 83 14.191 6.440 -4.983 1.00 0.00 C ATOM 1118 C TRP A 83 14.520 5.012 -5.425 1.00 0.00 C ATOM 1119 O TRP A 83 15.427 4.798 -6.227 1.00 0.00 O ATOM 1120 CB TRP A 83 13.775 6.532 -3.516 1.00 0.00 C ATOM 1121 CG TRP A 83 14.864 6.105 -2.530 1.00 0.00 C ATOM 1122 CD1 TRP A 83 14.807 5.133 -1.609 1.00 0.00 C ATOM 1123 CD2 TRP A 83 16.183 6.675 -2.405 1.00 0.00 C ATOM 1124 NE1 TRP A 83 15.988 5.037 -0.901 1.00 0.00 N ATOM 1125 CE2 TRP A 83 16.853 6.004 -1.403 1.00 0.00 C ATOM 1126 CE3 TRP A 83 16.793 7.723 -3.117 1.00 0.00 C ATOM 1127 CZ2 TRP A 83 18.164 6.309 -1.018 1.00 0.00 C ATOM 1128 CZ3 TRP A 83 18.103 8.015 -2.722 1.00 0.00 C ATOM 1129 CH2 TRP A 83 18.790 7.350 -1.715 1.00 0.00 C ATOM 0 H TRP A 83 12.219 6.568 -5.679 1.00 0.00 H new ATOM 0 HA TRP A 83 15.093 7.046 -5.066 1.00 0.00 H new ATOM 0 HB2 TRP A 83 13.483 7.559 -3.296 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.894 5.910 -3.360 1.00 0.00 H new ATOM 0 HD1 TRP A 83 13.945 4.504 -1.442 1.00 0.00 H new ATOM 0 HE1 TRP A 83 16.189 4.378 -0.149 1.00 0.00 H new ATOM 0 HE3 TRP A 83 16.290 8.260 -3.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 18.665 5.771 -0.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 18.616 8.814 -3.237 1.00 0.00 H new ATOM 0 HH2 TRP A 83 19.803 7.634 -1.470 1.00 0.00 H new ATOM 1140 N GLY A 84 13.761 4.072 -4.880 1.00 0.00 N ATOM 1141 CA GLY A 84 13.960 2.669 -5.206 1.00 0.00 C ATOM 1142 C GLY A 84 13.794 1.789 -3.967 1.00 0.00 C ATOM 1143 O GLY A 84 12.675 1.551 -3.514 1.00 0.00 O ATOM 0 H GLY A 84 13.008 4.254 -4.216 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.245 2.365 -5.971 1.00 0.00 H new ATOM 0 HA3 GLY A 84 14.956 2.527 -5.626 1.00 0.00 H new ATOM 1147 N THR A 85 14.925 1.328 -3.452 1.00 0.00 N ATOM 1148 CA THR A 85 14.920 0.478 -2.274 1.00 0.00 C ATOM 1149 C THR A 85 14.825 -0.994 -2.678 1.00 0.00 C ATOM 1150 O THR A 85 15.642 -1.811 -2.256 1.00 0.00 O ATOM 1151 CB THR A 85 13.774 0.934 -1.367 1.00 0.00 C ATOM 1152 OG1 THR A 85 13.894 2.354 -1.346 1.00 0.00 O ATOM 1153 CG2 THR A 85 13.981 0.520 0.090 1.00 0.00 C ATOM 0 H THR A 85 15.851 1.528 -3.830 1.00 0.00 H new ATOM 0 HA THR A 85 15.852 0.570 -1.717 1.00 0.00 H new ATOM 0 HB THR A 85 12.834 0.519 -1.731 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.842 2.602 -1.361 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.140 0.868 0.690 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.047 -0.566 0.154 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.903 0.963 0.467 1.00 0.00 H new ATOM 1161 N VAL A 86 13.822 -1.289 -3.491 1.00 0.00 N ATOM 1162 CA VAL A 86 13.609 -2.648 -3.957 1.00 0.00 C ATOM 1163 C VAL A 86 13.140 -3.515 -2.788 1.00 0.00 C ATOM 1164 O VAL A 86 11.984 -3.432 -2.371 1.00 0.00 O ATOM 1165 CB VAL A 86 14.882 -3.179 -4.622 1.00 0.00 C ATOM 1166 CG1 VAL A 86 14.698 -4.627 -5.079 1.00 0.00 C ATOM 1167 CG2 VAL A 86 15.304 -2.284 -5.788 1.00 0.00 C ATOM 0 H VAL A 86 13.147 -0.609 -3.839 1.00 0.00 H new ATOM 0 HA VAL A 86 12.827 -2.674 -4.716 1.00 0.00 H new ATOM 0 HB VAL A 86 15.681 -3.162 -3.881 1.00 0.00 H new ATOM 0 HG11 VAL A 86 15.616 -4.980 -5.548 1.00 0.00 H new ATOM 0 HG12 VAL A 86 14.466 -5.254 -4.218 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.880 -4.681 -5.797 1.00 0.00 H new ATOM 0 HG21 VAL A 86 16.211 -2.683 -6.243 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.507 -2.255 -6.531 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.495 -1.275 -5.422 1.00 0.00 H new ATOM 1177 N ASP A 87 14.059 -4.329 -2.289 1.00 0.00 N ATOM 1178 CA ASP A 87 13.753 -5.212 -1.177 1.00 0.00 C ATOM 1179 C ASP A 87 13.293 -4.376 0.020 1.00 0.00 C ATOM 1180 O ASP A 87 14.110 -3.959 0.840 1.00 0.00 O ATOM 1181 CB ASP A 87 14.988 -6.008 -0.750 1.00 0.00 C ATOM 1182 CG ASP A 87 14.716 -7.463 -0.360 1.00 0.00 C ATOM 1183 OD1 ASP A 87 14.533 -8.277 -1.291 1.00 0.00 O ATOM 1184 OD2 ASP A 87 14.696 -7.729 0.862 1.00 0.00 O ATOM 0 H ASP A 87 15.016 -4.395 -2.635 1.00 0.00 H new ATOM 0 HA ASP A 87 12.973 -5.902 -1.498 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.710 -5.995 -1.566 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.454 -5.502 0.096 1.00 0.00 H new ATOM 1190 N CYS A 88 11.988 -4.156 0.082 1.00 0.00 N ATOM 1191 CA CYS A 88 11.412 -3.378 1.165 1.00 0.00 C ATOM 1192 C CYS A 88 11.488 -4.208 2.446 1.00 0.00 C ATOM 1193 O CYS A 88 10.464 -4.512 3.057 1.00 0.00 O ATOM 1194 CB CYS A 88 9.977 -2.946 0.848 1.00 0.00 C ATOM 1195 SG CYS A 88 9.043 -2.287 2.278 1.00 0.00 S ATOM 0 H CYS A 88 11.314 -4.503 -0.600 1.00 0.00 H new ATOM 0 HA CYS A 88 11.979 -2.457 1.297 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.005 -2.185 0.068 1.00 0.00 H new ATOM 0 HB3 CYS A 88 9.436 -3.800 0.441 1.00 0.00 H new ATOM 1200 N THR A 89 12.712 -4.554 2.819 1.00 0.00 N ATOM 1201 CA THR A 89 12.937 -5.343 4.018 1.00 0.00 C ATOM 1202 C THR A 89 13.356 -4.440 5.180 1.00 0.00 C ATOM 1203 O THR A 89 13.251 -4.829 6.343 1.00 0.00 O ATOM 1204 CB THR A 89 13.965 -6.423 3.687 1.00 0.00 C ATOM 1205 OG1 THR A 89 14.020 -7.225 4.866 1.00 0.00 O ATOM 1206 CG2 THR A 89 15.381 -5.864 3.551 1.00 0.00 C ATOM 0 H THR A 89 13.559 -4.302 2.311 1.00 0.00 H new ATOM 0 HA THR A 89 12.021 -5.836 4.345 1.00 0.00 H new ATOM 0 HB THR A 89 13.681 -6.920 2.759 1.00 0.00 H new ATOM 0 HG1 THR A 89 14.664 -7.953 4.737 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.071 -6.674 3.316 1.00 0.00 H new ATOM 0 HG22 THR A 89 15.405 -5.123 2.752 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.679 -5.395 4.489 1.00 0.00 H new ATOM 1214 N THR A 90 13.822 -3.251 4.825 1.00 0.00 N ATOM 1215 CA THR A 90 14.257 -2.290 5.824 1.00 0.00 C ATOM 1216 C THR A 90 13.085 -1.414 6.271 1.00 0.00 C ATOM 1217 O THR A 90 12.784 -1.333 7.460 1.00 0.00 O ATOM 1218 CB THR A 90 15.424 -1.492 5.236 1.00 0.00 C ATOM 1219 OG1 THR A 90 16.526 -2.390 5.297 1.00 0.00 O ATOM 1220 CG2 THR A 90 15.844 -0.324 6.129 1.00 0.00 C ATOM 0 H THR A 90 13.908 -2.932 3.860 1.00 0.00 H new ATOM 0 HA THR A 90 14.608 -2.790 6.726 1.00 0.00 H new ATOM 0 HB THR A 90 15.145 -1.114 4.252 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.324 -1.953 4.934 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.675 0.208 5.665 1.00 0.00 H new ATOM 0 HG22 THR A 90 15.003 0.357 6.257 1.00 0.00 H new ATOM 0 HG23 THR A 90 16.154 -0.704 7.102 1.00 0.00 H new ATOM 1228 N ALA A 91 12.456 -0.783 5.290 1.00 0.00 N ATOM 1229 CA ALA A 91 11.322 0.084 5.569 1.00 0.00 C ATOM 1230 C ALA A 91 10.033 -0.738 5.513 1.00 0.00 C ATOM 1231 O ALA A 91 9.974 -1.764 4.837 1.00 0.00 O ATOM 1232 CB ALA A 91 11.316 1.249 4.577 1.00 0.00 C ATOM 0 H ALA A 91 12.708 -0.854 4.304 1.00 0.00 H new ATOM 0 HA ALA A 91 11.398 0.509 6.570 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.467 1.900 4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 91 12.241 1.817 4.677 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.236 0.862 3.561 1.00 0.00 H new ATOM 1238 N ALA A 92 9.030 -0.254 6.232 1.00 0.00 N ATOM 1239 CA ALA A 92 7.744 -0.931 6.270 1.00 0.00 C ATOM 1240 C ALA A 92 6.848 -0.380 5.158 1.00 0.00 C ATOM 1241 O ALA A 92 6.595 0.822 5.097 1.00 0.00 O ATOM 1242 CB ALA A 92 7.120 -0.761 7.657 1.00 0.00 C ATOM 0 H ALA A 92 9.082 0.597 6.792 1.00 0.00 H new ATOM 0 HA ALA A 92 7.868 -2.000 6.095 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.156 -1.268 7.687 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.781 -1.193 8.409 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.979 0.300 7.865 1.00 0.00 H new ATOM 1248 N CYS A 93 6.393 -1.286 4.306 1.00 0.00 N ATOM 1249 CA CYS A 93 5.532 -0.908 3.200 1.00 0.00 C ATOM 1250 C CYS A 93 4.078 -1.016 3.664 1.00 0.00 C ATOM 1251 O CYS A 93 3.645 -2.071 4.125 1.00 0.00 O ATOM 1252 CB CYS A 93 5.797 -1.761 1.958 1.00 0.00 C ATOM 1253 SG CYS A 93 7.185 -2.945 2.122 1.00 0.00 S ATOM 0 H CYS A 93 6.605 -2.282 4.360 1.00 0.00 H new ATOM 0 HA CYS A 93 5.745 0.120 2.907 1.00 0.00 H new ATOM 0 HB2 CYS A 93 4.891 -2.316 1.716 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.000 -1.099 1.116 1.00 0.00 H new ATOM 1258 N GLN A 94 3.364 0.093 3.526 1.00 0.00 N ATOM 1259 CA GLN A 94 1.967 0.136 3.926 1.00 0.00 C ATOM 1260 C GLN A 94 1.060 -0.012 2.703 1.00 0.00 C ATOM 1261 O GLN A 94 1.080 0.830 1.807 1.00 0.00 O ATOM 1262 CB GLN A 94 1.656 1.425 4.688 1.00 0.00 C ATOM 1263 CG GLN A 94 2.397 1.467 6.025 1.00 0.00 C ATOM 1264 CD GLN A 94 2.842 2.891 6.363 1.00 0.00 C ATOM 1265 OE1 GLN A 94 2.332 3.868 5.841 1.00 0.00 O ATOM 1266 NE2 GLN A 94 3.819 2.955 7.263 1.00 0.00 N ATOM 0 H GLN A 94 3.726 0.967 3.144 1.00 0.00 H new ATOM 0 HA GLN A 94 1.775 -0.700 4.598 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.941 2.286 4.084 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.582 1.499 4.861 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.749 1.088 6.815 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.267 0.811 5.983 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.202 2.098 7.662 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.185 3.861 7.555 1.00 0.00 H new ATOM 1275 N VAL A 95 0.286 -1.088 2.708 1.00 0.00 N ATOM 1276 CA VAL A 95 -0.627 -1.356 1.610 1.00 0.00 C ATOM 1277 C VAL A 95 -1.973 -0.684 1.895 1.00 0.00 C ATOM 1278 O VAL A 95 -2.702 -1.105 2.791 1.00 0.00 O ATOM 1279 CB VAL A 95 -0.749 -2.864 1.387 1.00 0.00 C ATOM 1280 CG1 VAL A 95 -1.530 -3.169 0.109 1.00 0.00 C ATOM 1281 CG2 VAL A 95 0.630 -3.527 1.358 1.00 0.00 C ATOM 0 H VAL A 95 0.273 -1.783 3.454 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.242 -0.933 0.682 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.305 -3.282 2.226 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.601 -4.248 -0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.532 -2.746 0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.015 -2.731 -0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.515 -4.599 1.198 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.222 -3.101 0.548 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.137 -3.354 2.307 1.00 0.00 H new ATOM 1291 N GLY A 96 -2.259 0.351 1.116 1.00 0.00 N ATOM 1292 CA GLY A 96 -3.501 1.083 1.274 1.00 0.00 C ATOM 1293 C GLY A 96 -3.828 1.886 0.013 1.00 0.00 C ATOM 1294 O GLY A 96 -3.003 1.984 -0.895 1.00 0.00 O ATOM 0 H GLY A 96 -1.650 0.698 0.375 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.313 0.387 1.487 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.425 1.756 2.128 1.00 0.00 H new ATOM 1298 N LEU A 97 -5.030 2.442 -0.003 1.00 0.00 N ATOM 1299 CA LEU A 97 -5.476 3.234 -1.137 1.00 0.00 C ATOM 1300 C LEU A 97 -5.469 4.715 -0.755 1.00 0.00 C ATOM 1301 O LEU A 97 -5.954 5.085 0.314 1.00 0.00 O ATOM 1302 CB LEU A 97 -6.831 2.735 -1.639 1.00 0.00 C ATOM 1303 CG LEU A 97 -7.860 2.390 -0.562 1.00 0.00 C ATOM 1304 CD1 LEU A 97 -9.285 2.497 -1.109 1.00 0.00 C ATOM 1305 CD2 LEU A 97 -7.582 1.011 0.041 1.00 0.00 C ATOM 0 H LEU A 97 -5.710 2.360 0.753 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.789 3.118 -1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.258 3.498 -2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.665 1.849 -2.252 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.768 3.119 0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.997 2.246 -0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -9.467 3.515 -1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.408 1.806 -1.943 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -8.328 0.790 0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.630 0.255 -0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.589 1.004 0.492 1.00 0.00 H new ATOM 1317 N SER A 98 -4.914 5.521 -1.648 1.00 0.00 N ATOM 1318 CA SER A 98 -4.838 6.954 -1.416 1.00 0.00 C ATOM 1319 C SER A 98 -6.051 7.649 -2.036 1.00 0.00 C ATOM 1320 O SER A 98 -6.694 7.103 -2.932 1.00 0.00 O ATOM 1321 CB SER A 98 -3.542 7.536 -1.987 1.00 0.00 C ATOM 1322 OG SER A 98 -3.776 8.729 -2.732 1.00 0.00 O ATOM 0 H SER A 98 -4.513 5.210 -2.533 1.00 0.00 H new ATOM 0 HA SER A 98 -4.839 7.128 -0.340 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.849 7.747 -1.172 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.064 6.796 -2.628 1.00 0.00 H new ATOM 0 HG SER A 98 -4.171 8.501 -3.599 1.00 0.00 H new ATOM 1328 N ASP A 99 -6.329 8.843 -1.535 1.00 0.00 N ATOM 1329 CA ASP A 99 -7.454 9.619 -2.028 1.00 0.00 C ATOM 1330 C ASP A 99 -7.060 10.302 -3.340 1.00 0.00 C ATOM 1331 O ASP A 99 -5.876 10.457 -3.634 1.00 0.00 O ATOM 1332 CB ASP A 99 -7.854 10.708 -1.029 1.00 0.00 C ATOM 1333 CG ASP A 99 -7.438 10.440 0.419 1.00 0.00 C ATOM 1334 OD1 ASP A 99 -6.248 10.116 0.617 1.00 0.00 O ATOM 1335 OD2 ASP A 99 -8.322 10.565 1.295 1.00 0.00 O ATOM 0 H ASP A 99 -5.794 9.293 -0.792 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.294 8.940 -2.175 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.414 11.653 -1.349 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.936 10.832 -1.063 1.00 0.00 H new ATOM 1341 N ALA A 100 -8.076 10.696 -4.092 1.00 0.00 N ATOM 1342 CA ALA A 100 -7.852 11.360 -5.364 1.00 0.00 C ATOM 1343 C ALA A 100 -7.692 12.862 -5.130 1.00 0.00 C ATOM 1344 O ALA A 100 -7.705 13.649 -6.078 1.00 0.00 O ATOM 1345 CB ALA A 100 -9.005 11.039 -6.320 1.00 0.00 C ATOM 0 H ALA A 100 -9.057 10.568 -3.845 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.934 10.999 -5.827 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -8.836 11.538 -7.274 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.058 9.962 -6.478 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.943 11.389 -5.889 1.00 0.00 H new ATOM 1351 N ALA A 101 -7.545 13.219 -3.863 1.00 0.00 N ATOM 1352 CA ALA A 101 -7.383 14.615 -3.491 1.00 0.00 C ATOM 1353 C ALA A 101 -5.890 14.943 -3.399 1.00 0.00 C ATOM 1354 O ALA A 101 -5.401 15.824 -4.105 1.00 0.00 O ATOM 1355 CB ALA A 101 -8.121 14.883 -2.179 1.00 0.00 C ATOM 0 H ALA A 101 -7.535 12.565 -3.080 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.818 15.267 -4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.999 15.930 -1.900 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.181 14.662 -2.306 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.710 14.248 -1.394 1.00 0.00 H new ATOM 1361 N GLY A 102 -5.211 14.218 -2.525 1.00 0.00 N ATOM 1362 CA GLY A 102 -3.785 14.421 -2.331 1.00 0.00 C ATOM 1363 C GLY A 102 -3.358 14.006 -0.922 1.00 0.00 C ATOM 1364 O GLY A 102 -2.666 14.756 -0.234 1.00 0.00 O ATOM 0 H GLY A 102 -5.621 13.488 -1.942 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -3.228 13.843 -3.068 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.538 15.470 -2.496 1.00 0.00 H new ATOM 1368 N ASN A 103 -3.789 12.815 -0.534 1.00 0.00 N ATOM 1369 CA ASN A 103 -3.460 12.293 0.782 1.00 0.00 C ATOM 1370 C ASN A 103 -3.381 10.766 0.715 1.00 0.00 C ATOM 1371 O ASN A 103 -3.961 10.149 -0.179 1.00 0.00 O ATOM 1372 CB ASN A 103 -4.532 12.667 1.807 1.00 0.00 C ATOM 1373 CG ASN A 103 -4.914 14.144 1.688 1.00 0.00 C ATOM 1374 OD1 ASN A 103 -4.214 15.030 2.151 1.00 0.00 O ATOM 1375 ND2 ASN A 103 -6.057 14.356 1.046 1.00 0.00 N ATOM 0 H ASN A 103 -4.363 12.197 -1.107 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.506 12.723 1.086 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.415 12.046 1.657 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.165 12.463 2.813 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -6.399 15.308 0.915 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.593 13.567 0.684 1.00 0.00 H new ATOM 1382 N GLY A 104 -2.660 10.200 1.670 1.00 0.00 N ATOM 1383 CA GLY A 104 -2.499 8.757 1.731 1.00 0.00 C ATOM 1384 C GLY A 104 -2.544 8.261 3.179 1.00 0.00 C ATOM 1385 O GLY A 104 -1.567 7.706 3.679 1.00 0.00 O ATOM 0 H GLY A 104 -2.180 10.714 2.409 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.287 8.275 1.153 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -1.550 8.474 1.275 1.00 0.00 H new ATOM 1389 N PRO A 105 -3.719 8.483 3.826 1.00 0.00 N ATOM 1390 CA PRO A 105 -3.904 8.065 5.204 1.00 0.00 C ATOM 1391 C PRO A 105 -4.101 6.550 5.297 1.00 0.00 C ATOM 1392 O PRO A 105 -3.967 5.968 6.371 1.00 0.00 O ATOM 1393 CB PRO A 105 -5.109 8.851 5.698 1.00 0.00 C ATOM 1394 CG PRO A 105 -5.832 9.328 4.448 1.00 0.00 C ATOM 1395 CD PRO A 105 -4.896 9.136 3.264 1.00 0.00 C ATOM 0 HA PRO A 105 -3.031 8.269 5.824 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.759 8.227 6.311 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -4.800 9.693 6.317 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -6.753 8.764 4.301 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -6.113 10.377 4.546 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.357 8.523 2.490 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -4.638 10.090 2.804 1.00 0.00 H new ATOM 1403 N GLU A 106 -4.416 5.957 4.154 1.00 0.00 N ATOM 1404 CA GLU A 106 -4.634 4.522 4.092 1.00 0.00 C ATOM 1405 C GLU A 106 -3.316 3.798 3.812 1.00 0.00 C ATOM 1406 O GLU A 106 -2.499 4.270 3.022 1.00 0.00 O ATOM 1407 CB GLU A 106 -5.687 4.171 3.038 1.00 0.00 C ATOM 1408 CG GLU A 106 -6.907 3.508 3.682 1.00 0.00 C ATOM 1409 CD GLU A 106 -7.762 4.537 4.426 1.00 0.00 C ATOM 1410 OE1 GLU A 106 -8.641 5.129 3.765 1.00 0.00 O ATOM 1411 OE2 GLU A 106 -7.514 4.710 5.639 1.00 0.00 O ATOM 0 H GLU A 106 -4.525 6.444 3.265 1.00 0.00 H new ATOM 0 HA GLU A 106 -5.012 4.189 5.059 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.995 5.074 2.511 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.254 3.501 2.295 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -7.507 3.018 2.915 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.580 2.732 4.375 1.00 0.00 H new ATOM 1419 N GLY A 107 -3.150 2.663 4.474 1.00 0.00 N ATOM 1420 CA GLY A 107 -1.944 1.867 4.306 1.00 0.00 C ATOM 1421 C GLY A 107 -1.640 1.059 5.568 1.00 0.00 C ATOM 1422 O GLY A 107 -1.411 1.628 6.635 1.00 0.00 O ATOM 0 H GLY A 107 -3.830 2.275 5.128 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.064 1.192 3.458 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.102 2.520 4.076 1.00 0.00 H new ATOM 1426 N VAL A 108 -1.646 -0.256 5.406 1.00 0.00 N ATOM 1427 CA VAL A 108 -1.373 -1.149 6.520 1.00 0.00 C ATOM 1428 C VAL A 108 0.034 -1.730 6.369 1.00 0.00 C ATOM 1429 O VAL A 108 0.329 -2.404 5.384 1.00 0.00 O ATOM 1430 CB VAL A 108 -2.458 -2.224 6.607 1.00 0.00 C ATOM 1431 CG1 VAL A 108 -2.104 -3.431 5.736 1.00 0.00 C ATOM 1432 CG2 VAL A 108 -2.696 -2.646 8.058 1.00 0.00 C ATOM 0 H VAL A 108 -1.836 -0.725 4.520 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.400 -0.603 7.463 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.385 -1.796 6.226 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.891 -4.181 5.816 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.008 -3.115 4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.160 -3.859 6.074 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.472 -3.411 8.092 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.773 -3.047 8.476 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.013 -1.781 8.641 1.00 0.00 H new ATOM 1442 N ALA A 109 0.866 -1.450 7.363 1.00 0.00 N ATOM 1443 CA ALA A 109 2.233 -1.936 7.353 1.00 0.00 C ATOM 1444 C ALA A 109 2.227 -3.464 7.271 1.00 0.00 C ATOM 1445 O ALA A 109 2.150 -4.143 8.295 1.00 0.00 O ATOM 1446 CB ALA A 109 2.968 -1.421 8.593 1.00 0.00 C ATOM 0 H ALA A 109 0.618 -0.892 8.180 1.00 0.00 H new ATOM 0 HA ALA A 109 2.766 -1.562 6.479 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.995 -1.786 8.585 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.971 -0.331 8.588 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.463 -1.778 9.490 1.00 0.00 H new ATOM 1452 N ILE A 110 2.309 -3.960 6.047 1.00 0.00 N ATOM 1453 CA ILE A 110 2.313 -5.395 5.819 1.00 0.00 C ATOM 1454 C ILE A 110 3.756 -5.874 5.645 1.00 0.00 C ATOM 1455 O ILE A 110 4.607 -5.134 5.155 1.00 0.00 O ATOM 1456 CB ILE A 110 1.400 -5.753 4.644 1.00 0.00 C ATOM 1457 CG1 ILE A 110 0.213 -6.597 5.109 1.00 0.00 C ATOM 1458 CG2 ILE A 110 2.189 -6.439 3.526 1.00 0.00 C ATOM 1459 CD1 ILE A 110 0.685 -7.909 5.737 1.00 0.00 C ATOM 0 H ILE A 110 2.373 -3.394 5.201 1.00 0.00 H new ATOM 0 HA ILE A 110 1.904 -5.920 6.682 1.00 0.00 H new ATOM 0 HB ILE A 110 0.995 -4.829 4.232 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.376 -6.034 5.833 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -0.440 -6.809 4.263 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.517 -6.683 2.703 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.971 -5.769 3.169 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.641 -7.354 3.908 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -0.179 -8.490 6.059 1.00 0.00 H new ATOM 0 HD12 ILE A 110 1.253 -8.480 5.003 1.00 0.00 H new ATOM 0 HD13 ILE A 110 1.318 -7.693 6.598 1.00 0.00 H new ATOM 1471 N SER A 111 3.986 -7.112 6.057 1.00 0.00 N ATOM 1472 CA SER A 111 5.311 -7.701 5.953 1.00 0.00 C ATOM 1473 C SER A 111 5.481 -8.798 7.006 1.00 0.00 C ATOM 1474 O SER A 111 5.816 -9.934 6.675 1.00 0.00 O ATOM 1475 CB SER A 111 6.400 -6.638 6.115 1.00 0.00 C ATOM 1476 OG SER A 111 7.575 -7.167 6.724 1.00 0.00 O ATOM 0 H SER A 111 3.278 -7.723 6.463 1.00 0.00 H new ATOM 0 HA SER A 111 5.413 -8.140 4.960 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.652 -6.225 5.138 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.017 -5.816 6.719 1.00 0.00 H new ATOM 0 HG SER A 111 8.247 -6.459 6.809 1.00 0.00 H new ATOM 1482 N PHE A 112 5.241 -8.421 8.253 1.00 0.00 N ATOM 1483 CA PHE A 112 5.361 -9.358 9.357 1.00 0.00 C ATOM 1484 C PHE A 112 4.305 -9.082 10.428 1.00 0.00 C ATOM 1485 O PHE A 112 4.082 -7.934 10.805 1.00 0.00 O ATOM 1486 CB PHE A 112 6.752 -9.158 9.963 1.00 0.00 C ATOM 1487 CG PHE A 112 6.835 -7.999 10.957 1.00 0.00 C ATOM 1488 CD1 PHE A 112 6.470 -8.185 12.254 1.00 0.00 C ATOM 1489 CD2 PHE A 112 7.273 -6.779 10.543 1.00 0.00 C ATOM 1490 CE1 PHE A 112 6.548 -7.109 13.176 1.00 0.00 C ATOM 1491 CE2 PHE A 112 7.350 -5.701 11.467 1.00 0.00 C ATOM 1492 CZ PHE A 112 6.987 -5.890 12.763 1.00 0.00 C ATOM 0 H PHE A 112 4.963 -7.478 8.524 1.00 0.00 H new ATOM 0 HA PHE A 112 5.216 -10.377 8.998 1.00 0.00 H new ATOM 0 HB2 PHE A 112 7.054 -10.077 10.466 1.00 0.00 H new ATOM 0 HB3 PHE A 112 7.467 -8.985 9.158 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.120 -9.153 12.583 1.00 0.00 H new ATOM 0 HD2 PHE A 112 7.562 -6.630 9.513 1.00 0.00 H new ATOM 0 HE1 PHE A 112 6.259 -7.258 14.206 1.00 0.00 H new ATOM 0 HE2 PHE A 112 7.697 -4.732 11.139 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.047 -5.072 13.465 1.00 0.00 H new ATOM 1502 N ASN A 113 3.681 -10.157 10.890 1.00 0.00 N ATOM 1503 CA ASN A 113 2.655 -10.046 11.911 1.00 0.00 C ATOM 1504 C ASN A 113 3.240 -9.356 13.145 1.00 0.00 C ATOM 1505 O ASN A 113 2.595 -9.294 14.191 1.00 0.00 O ATOM 1506 CB ASN A 113 2.149 -11.426 12.335 1.00 0.00 C ATOM 1507 CG ASN A 113 3.208 -12.174 13.148 1.00 0.00 C ATOM 1508 OD1 ASN A 113 4.220 -12.622 12.633 1.00 0.00 O ATOM 1509 ND2 ASN A 113 2.921 -12.281 14.442 1.00 0.00 N ATOM 0 H ASN A 113 3.867 -11.109 10.575 1.00 0.00 H new ATOM 0 HA ASN A 113 1.828 -9.470 11.496 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.240 -11.318 12.927 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.886 -12.008 11.452 1.00 0.00 H new ATOM 0 HD21 ASN A 113 3.566 -12.761 15.069 1.00 0.00 H new ATOM 0 HD22 ASN A 113 2.056 -11.883 14.807 1.00 0.00 H new TER 1516 ASN A 113 HETATM 1517 C1 NCZ A 130 0.682 7.305 0.955 1.00 0.00 C HETATM 1518 C6 NCZ A 130 0.265 6.858 -0.303 1.00 0.00 C HETATM 1519 C5 NCZ A 130 -0.389 5.613 -0.397 1.00 0.00 C HETATM 1520 C7 NCZ A 130 -0.808 5.112 -1.625 1.00 0.00 C HETATM 1521 C8 NCZ A 130 -0.540 5.830 -2.772 1.00 0.00 C HETATM 1522 C9 NCZ A 130 0.116 7.071 -2.708 1.00 0.00 C HETATM 1523 C10 NCZ A 130 0.499 7.636 -1.459 1.00 0.00 C HETATM 1524 C11 NCZ A 130 0.742 9.057 -1.365 1.00 0.00 C HETATM 1525 O3 NCZ A 130 1.112 9.684 -2.357 1.00 0.00 O HETATM 1526 O4 NCZ A 130 0.617 9.836 -0.126 1.00 0.00 O HETATM 1527 C12 NCZ A 130 0.995 11.253 -0.150 1.00 0.00 C HETATM 1528 C13 NCZ A 130 2.359 11.492 0.506 1.00 0.00 C HETATM 1529 C14 NCZ A 130 2.175 11.864 1.780 1.00 0.00 C HETATM 1530 C15 NCZ A 130 0.760 12.177 2.097 1.00 0.00 C HETATM 1531 C16 NCZ A 130 0.035 12.059 0.741 1.00 0.00 C HETATM 1532 O6 NCZ A 130 -0.191 13.402 0.231 1.00 0.00 O HETATM 1533 O5 NCZ A 130 3.057 12.526 -0.189 1.00 0.00 O HETATM 1534 O2 NCZ A 130 0.339 7.735 -3.926 1.00 0.00 O HETATM 1535 C4 NCZ A 130 -0.627 4.902 0.757 1.00 0.00 C HETATM 1536 C3 NCZ A 130 -0.209 5.388 1.988 1.00 0.00 C HETATM 1537 C2 NCZ A 130 0.453 6.587 2.098 1.00 0.00 C HETATM 1538 O1 NCZ A 130 0.863 7.018 3.351 1.00 0.00 O HETATM 1539 C17 NCZ A 130 1.169 8.382 3.699 1.00 0.00 C HETATM 1540 C18 NCZ A 130 -1.352 3.593 0.753 1.00 0.00 C HETATM 0 H183 NCZ A 130 -2.353 3.733 0.346 1.00 0.00 H new HETATM 0 H182 NCZ A 130 -0.807 2.877 0.138 1.00 0.00 H new HETATM 0 H181 NCZ A 130 -1.424 3.214 1.772 1.00 0.00 H new HETATM 0 H173 NCZ A 130 1.986 8.742 3.074 1.00 0.00 H new HETATM 0 H172 NCZ A 130 0.289 9.004 3.539 1.00 0.00 H new HETATM 0 H171 NCZ A 130 1.464 8.433 4.747 1.00 0.00 H new HETATM 0 H8 NCZ A 130 -0.841 5.430 -3.740 1.00 0.00 H new HETATM 0 H7 NCZ A 130 -1.342 4.163 -1.680 1.00 0.00 H new HETATM 0 H6 NCZ A 130 0.649 13.763 -0.123 1.00 0.00 H new HETATM 0 H5 NCZ A 130 3.927 12.676 0.236 1.00 0.00 H new HETATM 0 H3 NCZ A 130 -0.410 4.806 2.887 1.00 0.00 H new HETATM 0 H2 NCZ A 130 0.771 8.598 -3.754 1.00 0.00 H new HETATM 0 H16 NCZ A 130 -0.936 11.567 0.794 1.00 0.00 H new HETATM 0 H15 NCZ A 130 0.331 12.432 3.066 1.00 0.00 H new HETATM 0 H14 NCZ A 130 2.983 11.930 2.509 1.00 0.00 H new HETATM 0 H13 NCZ A 130 2.944 10.573 0.467 1.00 0.00 H new HETATM 0 H12 NCZ A 130 0.987 11.546 -1.200 1.00 0.00 H new HETATM 0 H1 NCZ A 130 1.207 8.257 1.028 1.00 0.00 H new