USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 819 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 98 SER OG : rot -92:sc= -0.234 USER MOD Set 1.2: A 99 ASN :FLIP amide:sc= 0.198 F(o=-4.3,f=-0.036) USER MOD Set 2.1: A 39 THR OG1 : rot 180:sc= -0.633 USER MOD Set 2.2: A 90 ASN : amide:sc= -4.52! C(o=-5.2!,f=-16!) USER MOD Set 3.1: A 77 GLN : amide:sc= -0.787 X(o=-0.66,f=-0.99) USER MOD Set 3.2: A 80 THR OG1 : rot 28:sc= 0.123 USER MOD Set 4.1: A 47 TYR OH : rot 165:sc= 0 USER MOD Set 4.2: A 87 GLN : amide:sc= -5.29! C(o=-4.9!,f=-12!) USER MOD Set 4.3: A 88 CYS SG : rot -31:sc= -0.496 USER MOD Set 4.4: A 95 SER OG : rot -63:sc= 0.859 USER MOD Set 5.1: A 31 TYR OH : rot 167:sc= -0.884! USER MOD Set 5.2: A 36 ASN : amide:sc= -3.54! C(o=-4.4!,f=-7.5!) USER MOD Set 6.1: A 17 THR OG1 : rot 160:sc=-0.00137 USER MOD Set 6.2: A 101 MET CE :methyl -115:sc= -0.0428 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.06 K(o=-1.1,f=-3.2!) USER MOD Single : A 23 THR OG1 : rot -85:sc= 0.283 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 161:sc= -9.32! (180deg=-10.7!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -124:sc= 0 (180deg=-1.61!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.0139 X(o=-0.014,f=-0.091) USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 42 HIS : no HD1:sc= -0.315 K(o=-0.31,f=-0.95) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 39:sc= -0.338 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -16:sc= -0.988 USER MOD Single : A 55 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.22) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 94:sc= 0.957 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot -50:sc= -1.72 USER MOD Single : A 71 HIS :FLIP no HD1:sc= -0.192 F(o=-1.3,f=-0.19) USER MOD Single : A 72 SER OG : rot 47:sc= 1.02 USER MOD Single : A 74 SER OG : rot 180:sc= -0.0186 USER MOD Single : A 75 HIS :FLIP no HD1:sc= -0.183 F(o=-0.93,f=-0.18) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 173:sc= -9.87! USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 152:sc= -3.24 (180deg=-7.73!) USER MOD Single : A 103 CYS SG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 166:sc= 2.1 USER MOD Single : A 106 LYS NZ :NH3+ -129:sc= 0.805 (180deg=-0.479) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= -0.0272 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.910 22.265 -12.107 1.00 0.00 N ATOM 2 CA GLY A 1 12.152 23.484 -11.892 1.00 0.00 C ATOM 3 C GLY A 1 13.037 24.712 -11.819 1.00 0.00 C ATOM 4 O GLY A 1 12.858 25.661 -12.582 1.00 0.00 O ATOM 0 H1 GLY A 1 12.260 21.455 -12.149 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.434 22.335 -13.003 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.580 22.130 -11.323 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.431 23.607 -12.700 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.582 23.395 -10.967 1.00 0.00 H new ATOM 8 N SER A 2 13.995 24.696 -10.896 1.00 0.00 N ATOM 9 CA SER A 2 14.908 25.819 -10.722 1.00 0.00 C ATOM 10 C SER A 2 16.264 25.519 -11.352 1.00 0.00 C ATOM 11 O SER A 2 16.809 26.334 -12.097 1.00 0.00 O ATOM 12 CB SER A 2 15.082 26.137 -9.236 1.00 0.00 C ATOM 13 OG SER A 2 15.414 24.971 -8.501 1.00 0.00 O ATOM 0 H SER A 2 14.158 23.917 -10.258 1.00 0.00 H new ATOM 0 HA SER A 2 14.478 26.686 -11.223 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.864 26.885 -9.110 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.162 26.569 -8.843 1.00 0.00 H new ATOM 0 HG SER A 2 15.522 25.201 -7.554 1.00 0.00 H new ATOM 19 N SER A 3 16.804 24.343 -11.048 1.00 0.00 N ATOM 20 CA SER A 3 18.099 23.936 -11.580 1.00 0.00 C ATOM 21 C SER A 3 18.006 22.566 -12.245 1.00 0.00 C ATOM 22 O SER A 3 18.491 22.369 -13.359 1.00 0.00 O ATOM 23 CB SER A 3 19.146 23.904 -10.465 1.00 0.00 C ATOM 24 OG SER A 3 19.769 25.168 -10.315 1.00 0.00 O ATOM 0 H SER A 3 16.365 23.655 -10.436 1.00 0.00 H new ATOM 0 HA SER A 3 18.401 24.666 -12.331 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.674 23.614 -9.526 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.899 23.148 -10.690 1.00 0.00 H new ATOM 0 HG SER A 3 20.433 25.122 -9.595 1.00 0.00 H new ATOM 30 N GLY A 4 17.379 21.620 -11.552 1.00 0.00 N ATOM 31 CA GLY A 4 17.233 20.280 -12.090 1.00 0.00 C ATOM 32 C GLY A 4 17.270 19.215 -11.012 1.00 0.00 C ATOM 33 O GLY A 4 18.294 19.021 -10.356 1.00 0.00 O ATOM 0 H GLY A 4 16.970 21.758 -10.628 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.290 20.211 -12.633 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.030 20.092 -12.810 1.00 0.00 H new ATOM 37 N SER A 5 16.150 18.525 -10.825 1.00 0.00 N ATOM 38 CA SER A 5 16.056 17.478 -9.815 1.00 0.00 C ATOM 39 C SER A 5 15.019 16.431 -10.211 1.00 0.00 C ATOM 40 O SER A 5 13.973 16.759 -10.772 1.00 0.00 O ATOM 41 CB SER A 5 15.695 18.081 -8.456 1.00 0.00 C ATOM 42 OG SER A 5 14.320 18.422 -8.399 1.00 0.00 O ATOM 0 H SER A 5 15.294 18.672 -11.360 1.00 0.00 H new ATOM 0 HA SER A 5 17.028 16.991 -9.742 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.930 17.369 -7.665 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.301 18.969 -8.276 1.00 0.00 H new ATOM 0 HG SER A 5 14.114 18.804 -7.520 1.00 0.00 H new ATOM 48 N SER A 6 15.317 15.170 -9.916 1.00 0.00 N ATOM 49 CA SER A 6 14.414 14.074 -10.244 1.00 0.00 C ATOM 50 C SER A 6 13.443 13.808 -9.097 1.00 0.00 C ATOM 51 O SER A 6 13.631 14.296 -7.984 1.00 0.00 O ATOM 52 CB SER A 6 15.210 12.805 -10.557 1.00 0.00 C ATOM 53 OG SER A 6 15.900 12.928 -11.788 1.00 0.00 O ATOM 0 H SER A 6 16.177 14.882 -9.450 1.00 0.00 H new ATOM 0 HA SER A 6 13.840 14.361 -11.125 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.922 12.611 -9.755 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.536 11.950 -10.598 1.00 0.00 H new ATOM 0 HG SER A 6 16.402 12.105 -11.965 1.00 0.00 H new ATOM 59 N GLY A 7 12.402 13.030 -9.380 1.00 0.00 N ATOM 60 CA GLY A 7 11.416 12.713 -8.363 1.00 0.00 C ATOM 61 C GLY A 7 11.960 11.780 -7.299 1.00 0.00 C ATOM 62 O GLY A 7 13.150 11.466 -7.268 1.00 0.00 O ATOM 0 H GLY A 7 12.224 12.614 -10.294 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.074 13.635 -7.893 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.547 12.254 -8.834 1.00 0.00 H new ATOM 66 N PRO A 8 11.076 11.323 -6.400 1.00 0.00 N ATOM 67 CA PRO A 8 11.451 10.416 -5.312 1.00 0.00 C ATOM 68 C PRO A 8 11.807 9.021 -5.816 1.00 0.00 C ATOM 69 O PRO A 8 11.203 8.521 -6.765 1.00 0.00 O ATOM 70 CB PRO A 8 10.193 10.365 -4.442 1.00 0.00 C ATOM 71 CG PRO A 8 9.076 10.690 -5.372 1.00 0.00 C ATOM 72 CD PRO A 8 9.642 11.657 -6.376 1.00 0.00 C ATOM 0 HA PRO A 8 12.339 10.762 -4.782 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.061 9.380 -3.994 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.248 11.083 -3.624 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.703 9.791 -5.863 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.237 11.132 -4.835 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.184 11.532 -7.357 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.475 12.692 -6.076 1.00 0.00 H new ATOM 80 N VAL A 9 12.792 8.399 -5.176 1.00 0.00 N ATOM 81 CA VAL A 9 13.227 7.061 -5.559 1.00 0.00 C ATOM 82 C VAL A 9 13.250 6.125 -4.356 1.00 0.00 C ATOM 83 O VAL A 9 12.853 4.964 -4.453 1.00 0.00 O ATOM 84 CB VAL A 9 14.627 7.088 -6.201 1.00 0.00 C ATOM 85 CG1 VAL A 9 14.587 7.811 -7.539 1.00 0.00 C ATOM 86 CG2 VAL A 9 15.630 7.742 -5.262 1.00 0.00 C ATOM 0 H VAL A 9 13.304 8.800 -4.390 1.00 0.00 H new ATOM 0 HA VAL A 9 12.507 6.692 -6.290 1.00 0.00 H new ATOM 0 HB VAL A 9 14.946 6.061 -6.380 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.585 7.820 -7.978 1.00 0.00 H new ATOM 0 HG12 VAL A 9 13.900 7.296 -8.211 1.00 0.00 H new ATOM 0 HG13 VAL A 9 14.247 8.836 -7.389 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.614 7.753 -5.731 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.317 8.765 -5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 9 15.678 7.178 -4.331 1.00 0.00 H new ATOM 96 N ALA A 10 13.716 6.638 -3.222 1.00 0.00 N ATOM 97 CA ALA A 10 13.788 5.849 -1.999 1.00 0.00 C ATOM 98 C ALA A 10 12.505 5.053 -1.783 1.00 0.00 C ATOM 99 O ALA A 10 12.544 3.892 -1.378 1.00 0.00 O ATOM 100 CB ALA A 10 14.059 6.751 -0.804 1.00 0.00 C ATOM 0 H ALA A 10 14.049 7.597 -3.125 1.00 0.00 H new ATOM 0 HA ALA A 10 14.611 5.142 -2.100 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.110 6.148 0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.006 7.271 -0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.255 7.481 -0.709 1.00 0.00 H new ATOM 106 N GLY A 11 11.368 5.687 -2.054 1.00 0.00 N ATOM 107 CA GLY A 11 10.089 5.023 -1.882 1.00 0.00 C ATOM 108 C GLY A 11 9.828 4.632 -0.441 1.00 0.00 C ATOM 109 O GLY A 11 10.747 4.317 0.315 1.00 0.00 O ATOM 0 H GLY A 11 11.310 6.648 -2.390 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.292 5.682 -2.227 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.059 4.131 -2.508 1.00 0.00 H new ATOM 113 N PRO A 12 8.548 4.652 -0.041 1.00 0.00 N ATOM 114 CA PRO A 12 8.139 4.301 1.322 1.00 0.00 C ATOM 115 C PRO A 12 8.309 2.814 1.614 1.00 0.00 C ATOM 116 O PRO A 12 8.443 2.003 0.697 1.00 0.00 O ATOM 117 CB PRO A 12 6.658 4.686 1.358 1.00 0.00 C ATOM 118 CG PRO A 12 6.212 4.613 -0.061 1.00 0.00 C ATOM 119 CD PRO A 12 7.401 5.017 -0.890 1.00 0.00 C ATOM 0 HA PRO A 12 8.745 4.809 2.072 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.087 4.004 1.988 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.519 5.687 1.765 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.883 3.605 -0.315 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.367 5.279 -0.239 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.423 4.490 -1.844 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.391 6.084 -1.115 1.00 0.00 H new ATOM 127 N TYR A 13 8.303 2.463 2.895 1.00 0.00 N ATOM 128 CA TYR A 13 8.459 1.073 3.307 1.00 0.00 C ATOM 129 C TYR A 13 7.418 0.696 4.357 1.00 0.00 C ATOM 130 O TYR A 13 7.403 1.247 5.458 1.00 0.00 O ATOM 131 CB TYR A 13 9.866 0.838 3.860 1.00 0.00 C ATOM 132 CG TYR A 13 9.945 -0.304 4.848 1.00 0.00 C ATOM 133 CD1 TYR A 13 9.710 -1.613 4.447 1.00 0.00 C ATOM 134 CD2 TYR A 13 10.254 -0.073 6.183 1.00 0.00 C ATOM 135 CE1 TYR A 13 9.781 -2.660 5.346 1.00 0.00 C ATOM 136 CE2 TYR A 13 10.328 -1.114 7.089 1.00 0.00 C ATOM 137 CZ TYR A 13 10.091 -2.405 6.665 1.00 0.00 C ATOM 138 OH TYR A 13 10.162 -3.444 7.565 1.00 0.00 O ATOM 0 H TYR A 13 8.192 3.122 3.666 1.00 0.00 H new ATOM 0 HA TYR A 13 8.310 0.442 2.431 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.544 0.638 3.031 1.00 0.00 H new ATOM 0 HB3 TYR A 13 10.214 1.751 4.344 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.468 -1.816 3.414 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.439 0.937 6.518 1.00 0.00 H new ATOM 0 HE1 TYR A 13 9.595 -3.672 5.017 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.570 -0.918 8.123 1.00 0.00 H new ATOM 0 HH TYR A 13 10.392 -3.094 8.451 1.00 0.00 H new ATOM 148 N ILE A 14 6.550 -0.248 4.007 1.00 0.00 N ATOM 149 CA ILE A 14 5.507 -0.700 4.919 1.00 0.00 C ATOM 150 C ILE A 14 6.104 -1.412 6.128 1.00 0.00 C ATOM 151 O ILE A 14 6.819 -2.405 5.988 1.00 0.00 O ATOM 152 CB ILE A 14 4.517 -1.648 4.216 1.00 0.00 C ATOM 153 CG1 ILE A 14 3.909 -0.967 2.989 1.00 0.00 C ATOM 154 CG2 ILE A 14 3.426 -2.085 5.182 1.00 0.00 C ATOM 155 CD1 ILE A 14 3.480 -1.936 1.910 1.00 0.00 C ATOM 0 H ILE A 14 6.549 -0.714 3.100 1.00 0.00 H new ATOM 0 HA ILE A 14 4.972 0.189 5.252 1.00 0.00 H new ATOM 0 HB ILE A 14 5.058 -2.534 3.885 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.046 -0.378 3.301 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.637 -0.271 2.572 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.734 -2.754 4.671 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.876 -2.605 6.028 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.885 -1.209 5.540 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.058 -1.383 1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.343 -2.508 1.570 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.729 -2.617 2.310 1.00 0.00 H new ATOM 167 N THR A 15 5.805 -0.900 7.318 1.00 0.00 N ATOM 168 CA THR A 15 6.311 -1.487 8.552 1.00 0.00 C ATOM 169 C THR A 15 5.170 -1.951 9.449 1.00 0.00 C ATOM 170 O THR A 15 5.368 -2.222 10.633 1.00 0.00 O ATOM 171 CB THR A 15 7.187 -0.487 9.331 1.00 0.00 C ATOM 172 OG1 THR A 15 6.370 0.313 10.192 1.00 0.00 O ATOM 173 CG2 THR A 15 7.961 0.412 8.378 1.00 0.00 C ATOM 0 H THR A 15 5.214 -0.079 7.453 1.00 0.00 H new ATOM 0 HA THR A 15 6.918 -2.347 8.267 1.00 0.00 H new ATOM 0 HB THR A 15 7.900 -1.053 9.931 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.935 0.945 10.685 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.572 1.109 8.951 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.604 -0.198 7.744 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.262 0.970 7.755 1.00 0.00 H new ATOM 181 N PHE A 16 3.973 -2.040 8.877 1.00 0.00 N ATOM 182 CA PHE A 16 2.799 -2.472 9.626 1.00 0.00 C ATOM 183 C PHE A 16 1.690 -2.930 8.683 1.00 0.00 C ATOM 184 O PHE A 16 1.238 -2.174 7.823 1.00 0.00 O ATOM 185 CB PHE A 16 2.289 -1.336 10.515 1.00 0.00 C ATOM 186 CG PHE A 16 1.490 -1.811 11.695 1.00 0.00 C ATOM 187 CD1 PHE A 16 2.120 -2.181 12.872 1.00 0.00 C ATOM 188 CD2 PHE A 16 0.108 -1.887 11.627 1.00 0.00 C ATOM 189 CE1 PHE A 16 1.388 -2.618 13.960 1.00 0.00 C ATOM 190 CE2 PHE A 16 -0.630 -2.323 12.711 1.00 0.00 C ATOM 191 CZ PHE A 16 0.011 -2.690 13.879 1.00 0.00 C ATOM 0 H PHE A 16 3.791 -1.819 7.898 1.00 0.00 H new ATOM 0 HA PHE A 16 3.090 -3.314 10.254 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.139 -0.755 10.872 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.674 -0.665 9.916 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.196 -2.127 12.940 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.398 -1.602 10.716 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.892 -2.903 14.872 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.707 -2.377 12.645 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.564 -3.032 14.727 1.00 0.00 H new ATOM 201 N THR A 17 1.258 -4.176 8.849 1.00 0.00 N ATOM 202 CA THR A 17 0.205 -4.738 8.013 1.00 0.00 C ATOM 203 C THR A 17 -0.739 -5.612 8.830 1.00 0.00 C ATOM 204 O THR A 17 -0.360 -6.689 9.292 1.00 0.00 O ATOM 205 CB THR A 17 0.790 -5.573 6.858 1.00 0.00 C ATOM 206 OG1 THR A 17 2.028 -6.167 7.262 1.00 0.00 O ATOM 207 CG2 THR A 17 1.013 -4.711 5.625 1.00 0.00 C ATOM 0 H THR A 17 1.622 -4.816 9.556 1.00 0.00 H new ATOM 0 HA THR A 17 -0.351 -3.897 7.598 1.00 0.00 H new ATOM 0 HB THR A 17 0.076 -6.357 6.608 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.232 -6.927 6.678 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.426 -5.323 4.823 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.063 -4.284 5.303 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.709 -3.907 5.864 1.00 0.00 H new ATOM 215 N ASP A 18 -1.970 -5.143 9.005 1.00 0.00 N ATOM 216 CA ASP A 18 -2.969 -5.884 9.766 1.00 0.00 C ATOM 217 C ASP A 18 -4.335 -5.806 9.090 1.00 0.00 C ATOM 218 O ASP A 18 -4.724 -4.759 8.573 1.00 0.00 O ATOM 219 CB ASP A 18 -3.061 -5.341 11.193 1.00 0.00 C ATOM 220 CG ASP A 18 -1.872 -5.741 12.043 1.00 0.00 C ATOM 221 OD1 ASP A 18 -1.555 -6.948 12.089 1.00 0.00 O ATOM 222 OD2 ASP A 18 -1.257 -4.847 12.661 1.00 0.00 O ATOM 0 H ASP A 18 -2.300 -4.253 8.630 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.660 -6.929 9.802 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.131 -4.254 11.161 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.976 -5.706 11.659 1.00 0.00 H new ATOM 227 N ALA A 19 -5.057 -6.922 9.096 1.00 0.00 N ATOM 228 CA ALA A 19 -6.379 -6.980 8.484 1.00 0.00 C ATOM 229 C ALA A 19 -7.448 -6.454 9.436 1.00 0.00 C ATOM 230 O ALA A 19 -7.650 -7.000 10.521 1.00 0.00 O ATOM 231 CB ALA A 19 -6.702 -8.404 8.059 1.00 0.00 C ATOM 0 H ALA A 19 -4.749 -7.798 9.518 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.371 -6.342 7.600 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.692 -8.432 7.604 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.961 -8.745 7.337 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.685 -9.057 8.932 1.00 0.00 H new ATOM 237 N VAL A 20 -8.129 -5.390 9.024 1.00 0.00 N ATOM 238 CA VAL A 20 -9.178 -4.791 9.841 1.00 0.00 C ATOM 239 C VAL A 20 -10.477 -5.582 9.734 1.00 0.00 C ATOM 240 O VAL A 20 -11.305 -5.561 10.644 1.00 0.00 O ATOM 241 CB VAL A 20 -9.444 -3.330 9.430 1.00 0.00 C ATOM 242 CG1 VAL A 20 -10.370 -2.655 10.429 1.00 0.00 C ATOM 243 CG2 VAL A 20 -8.135 -2.566 9.303 1.00 0.00 C ATOM 0 H VAL A 20 -7.973 -4.925 8.130 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.827 -4.812 10.873 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.935 -3.328 8.457 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.547 -1.624 10.122 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.319 -3.190 10.465 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.910 -2.666 11.417 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.342 -1.536 9.012 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.614 -2.575 10.260 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.510 -3.039 8.545 1.00 0.00 H new ATOM 253 N ASN A 21 -10.649 -6.279 8.616 1.00 0.00 N ATOM 254 CA ASN A 21 -11.848 -7.078 8.389 1.00 0.00 C ATOM 255 C ASN A 21 -11.627 -8.082 7.262 1.00 0.00 C ATOM 256 O ASN A 21 -10.536 -8.168 6.699 1.00 0.00 O ATOM 257 CB ASN A 21 -13.034 -6.172 8.055 1.00 0.00 C ATOM 258 CG ASN A 21 -13.788 -5.726 9.293 1.00 0.00 C ATOM 259 OD1 ASN A 21 -13.804 -6.423 10.308 1.00 0.00 O ATOM 260 ND2 ASN A 21 -14.416 -4.558 9.215 1.00 0.00 N ATOM 0 H ASN A 21 -9.973 -6.307 7.853 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.067 -7.628 9.304 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.677 -5.295 7.515 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.715 -6.701 7.389 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -14.939 -4.205 10.017 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.376 -4.014 8.353 1.00 0.00 H new ATOM 267 N GLU A 22 -12.671 -8.839 6.938 1.00 0.00 N ATOM 268 CA GLU A 22 -12.591 -9.837 5.878 1.00 0.00 C ATOM 269 C GLU A 22 -12.520 -9.171 4.508 1.00 0.00 C ATOM 270 O GLU A 22 -12.069 -9.774 3.533 1.00 0.00 O ATOM 271 CB GLU A 22 -13.798 -10.776 5.940 1.00 0.00 C ATOM 272 CG GLU A 22 -15.055 -10.194 5.315 1.00 0.00 C ATOM 273 CD GLU A 22 -15.705 -9.139 6.189 1.00 0.00 C ATOM 274 OE1 GLU A 22 -15.317 -9.025 7.371 1.00 0.00 O ATOM 275 OE2 GLU A 22 -16.602 -8.427 5.690 1.00 0.00 O ATOM 0 H GLU A 22 -13.581 -8.780 7.394 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.680 -10.417 6.028 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.549 -11.708 5.433 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.002 -11.024 6.982 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.807 -9.757 4.348 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.769 -10.996 5.128 1.00 0.00 H new ATOM 282 N THR A 23 -12.970 -7.922 4.439 1.00 0.00 N ATOM 283 CA THR A 23 -12.960 -7.173 3.189 1.00 0.00 C ATOM 284 C THR A 23 -12.224 -5.848 3.348 1.00 0.00 C ATOM 285 O THR A 23 -12.263 -4.993 2.462 1.00 0.00 O ATOM 286 CB THR A 23 -14.390 -6.896 2.688 1.00 0.00 C ATOM 287 OG1 THR A 23 -15.227 -6.511 3.785 1.00 0.00 O ATOM 288 CG2 THR A 23 -14.973 -8.125 2.007 1.00 0.00 C ATOM 0 H THR A 23 -13.346 -7.408 5.235 1.00 0.00 H new ATOM 0 HA THR A 23 -12.439 -7.789 2.456 1.00 0.00 H new ATOM 0 HB THR A 23 -14.346 -6.084 1.962 1.00 0.00 H new ATOM 0 HG1 THR A 23 -15.577 -7.313 4.227 1.00 0.00 H new ATOM 0 HG21 THR A 23 -15.983 -7.905 1.662 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.350 -8.399 1.155 1.00 0.00 H new ATOM 0 HG23 THR A 23 -15.004 -8.953 2.715 1.00 0.00 H new ATOM 296 N THR A 24 -11.551 -5.682 4.482 1.00 0.00 N ATOM 297 CA THR A 24 -10.806 -4.460 4.757 1.00 0.00 C ATOM 298 C THR A 24 -9.436 -4.773 5.349 1.00 0.00 C ATOM 299 O THR A 24 -9.280 -5.733 6.103 1.00 0.00 O ATOM 300 CB THR A 24 -11.573 -3.540 5.725 1.00 0.00 C ATOM 301 OG1 THR A 24 -12.963 -3.516 5.381 1.00 0.00 O ATOM 302 CG2 THR A 24 -11.012 -2.126 5.687 1.00 0.00 C ATOM 0 H THR A 24 -11.507 -6.379 5.225 1.00 0.00 H new ATOM 0 HA THR A 24 -10.678 -3.946 3.804 1.00 0.00 H new ATOM 0 HB THR A 24 -11.456 -3.934 6.735 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.444 -2.930 6.002 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.570 -1.495 6.379 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.962 -2.143 5.978 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.102 -1.726 4.677 1.00 0.00 H new ATOM 310 N ILE A 25 -8.447 -3.956 5.003 1.00 0.00 N ATOM 311 CA ILE A 25 -7.091 -4.145 5.502 1.00 0.00 C ATOM 312 C ILE A 25 -6.443 -2.810 5.854 1.00 0.00 C ATOM 313 O ILE A 25 -6.639 -1.812 5.162 1.00 0.00 O ATOM 314 CB ILE A 25 -6.208 -4.875 4.473 1.00 0.00 C ATOM 315 CG1 ILE A 25 -6.567 -6.362 4.424 1.00 0.00 C ATOM 316 CG2 ILE A 25 -4.736 -4.691 4.810 1.00 0.00 C ATOM 317 CD1 ILE A 25 -5.702 -7.162 3.475 1.00 0.00 C ATOM 0 H ILE A 25 -8.560 -3.157 4.379 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.169 -4.757 6.401 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.391 -4.443 3.489 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.478 -6.782 5.426 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.611 -6.466 4.127 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.126 -5.213 4.073 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.490 -3.629 4.798 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.536 -5.099 5.801 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.013 -8.207 3.492 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.810 -6.768 2.465 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.659 -7.089 3.784 1.00 0.00 H new ATOM 329 N MET A 26 -5.669 -2.801 6.935 1.00 0.00 N ATOM 330 CA MET A 26 -4.990 -1.589 7.377 1.00 0.00 C ATOM 331 C MET A 26 -3.476 -1.744 7.268 1.00 0.00 C ATOM 332 O MET A 26 -2.893 -2.664 7.844 1.00 0.00 O ATOM 333 CB MET A 26 -5.378 -1.258 8.820 1.00 0.00 C ATOM 334 CG MET A 26 -4.542 -0.148 9.435 1.00 0.00 C ATOM 335 SD MET A 26 -5.275 1.483 9.202 1.00 0.00 S ATOM 336 CE MET A 26 -4.302 2.099 7.830 1.00 0.00 C ATOM 0 H MET A 26 -5.497 -3.619 7.520 1.00 0.00 H new ATOM 0 HA MET A 26 -5.302 -0.771 6.728 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.428 -0.968 8.848 1.00 0.00 H new ATOM 0 HB3 MET A 26 -5.279 -2.156 9.429 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.420 -0.338 10.501 1.00 0.00 H new ATOM 0 HG3 MET A 26 -3.546 -0.161 8.993 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.829 2.925 7.352 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.337 2.448 8.196 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.147 1.299 7.106 1.00 0.00 H new ATOM 346 N LEU A 27 -2.845 -0.840 6.527 1.00 0.00 N ATOM 347 CA LEU A 27 -1.398 -0.876 6.343 1.00 0.00 C ATOM 348 C LEU A 27 -0.789 0.508 6.543 1.00 0.00 C ATOM 349 O LEU A 27 -1.294 1.502 6.022 1.00 0.00 O ATOM 350 CB LEU A 27 -1.056 -1.400 4.947 1.00 0.00 C ATOM 351 CG LEU A 27 -1.009 -0.355 3.831 1.00 0.00 C ATOM 352 CD1 LEU A 27 -0.198 -0.870 2.652 1.00 0.00 C ATOM 353 CD2 LEU A 27 -2.417 0.017 3.391 1.00 0.00 C ATOM 0 H LEU A 27 -3.312 -0.073 6.044 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.977 -1.549 7.091 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.086 -1.896 4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.790 -2.159 4.676 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.522 0.540 4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.175 -0.113 1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.820 -1.086 2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.656 -1.780 2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.365 0.761 2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.930 -0.872 3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.966 0.428 4.238 1.00 0.00 H new ATOM 365 N LYS A 28 0.301 0.564 7.301 1.00 0.00 N ATOM 366 CA LYS A 28 0.983 1.825 7.568 1.00 0.00 C ATOM 367 C LYS A 28 2.392 1.816 6.984 1.00 0.00 C ATOM 368 O LYS A 28 3.120 0.831 7.109 1.00 0.00 O ATOM 369 CB LYS A 28 1.046 2.085 9.075 1.00 0.00 C ATOM 370 CG LYS A 28 -0.318 2.154 9.738 1.00 0.00 C ATOM 371 CD LYS A 28 -0.240 1.799 11.213 1.00 0.00 C ATOM 372 CE LYS A 28 -1.624 1.670 11.830 1.00 0.00 C ATOM 373 NZ LYS A 28 -1.564 1.582 13.315 1.00 0.00 N ATOM 0 H LYS A 28 0.731 -0.249 7.741 1.00 0.00 H new ATOM 0 HA LYS A 28 0.416 2.624 7.091 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.631 1.295 9.547 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.574 3.022 9.252 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.728 3.158 9.626 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.003 1.472 9.234 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.302 0.861 11.334 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.326 2.565 11.743 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.231 2.528 11.541 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.117 0.782 11.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.527 1.495 13.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.006 0.749 13.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.117 2.440 13.696 1.00 0.00 H new ATOM 387 N TRP A 29 2.770 2.918 6.347 1.00 0.00 N ATOM 388 CA TRP A 29 4.093 3.037 5.744 1.00 0.00 C ATOM 389 C TRP A 29 4.912 4.120 6.438 1.00 0.00 C ATOM 390 O TRP A 29 4.358 5.037 7.044 1.00 0.00 O ATOM 391 CB TRP A 29 3.971 3.350 4.252 1.00 0.00 C ATOM 392 CG TRP A 29 3.117 4.548 3.964 1.00 0.00 C ATOM 393 CD1 TRP A 29 3.515 5.854 3.955 1.00 0.00 C ATOM 394 CD2 TRP A 29 1.721 4.549 3.647 1.00 0.00 C ATOM 395 NE1 TRP A 29 2.451 6.668 3.650 1.00 0.00 N ATOM 396 CE2 TRP A 29 1.339 5.892 3.457 1.00 0.00 C ATOM 397 CE3 TRP A 29 0.757 3.548 3.504 1.00 0.00 C ATOM 398 CZ2 TRP A 29 0.034 6.255 3.132 1.00 0.00 C ATOM 399 CZ3 TRP A 29 -0.537 3.910 3.182 1.00 0.00 C ATOM 400 CH2 TRP A 29 -0.889 5.254 2.998 1.00 0.00 C ATOM 0 H TRP A 29 2.180 3.742 6.234 1.00 0.00 H new ATOM 0 HA TRP A 29 4.607 2.084 5.867 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.967 3.515 3.840 1.00 0.00 H new ATOM 0 HB3 TRP A 29 3.554 2.483 3.739 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.519 6.197 4.158 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.484 7.685 3.579 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.019 2.509 3.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.240 7.290 2.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.290 3.144 3.070 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.909 5.504 2.745 1.00 0.00 H new ATOM 411 N MET A 30 6.233 4.008 6.344 1.00 0.00 N ATOM 412 CA MET A 30 7.127 4.980 6.963 1.00 0.00 C ATOM 413 C MET A 30 7.971 5.690 5.908 1.00 0.00 C ATOM 414 O MET A 30 8.085 5.224 4.774 1.00 0.00 O ATOM 415 CB MET A 30 8.036 4.292 7.983 1.00 0.00 C ATOM 416 CG MET A 30 9.295 3.697 7.371 1.00 0.00 C ATOM 417 SD MET A 30 10.439 3.067 8.614 1.00 0.00 S ATOM 418 CE MET A 30 11.264 4.577 9.112 1.00 0.00 C ATOM 0 H MET A 30 6.708 3.255 5.846 1.00 0.00 H new ATOM 0 HA MET A 30 6.517 5.724 7.476 1.00 0.00 H new ATOM 0 HB2 MET A 30 8.320 5.013 8.749 1.00 0.00 H new ATOM 0 HB3 MET A 30 7.476 3.501 8.482 1.00 0.00 H new ATOM 0 HG2 MET A 30 9.018 2.889 6.694 1.00 0.00 H new ATOM 0 HG3 MET A 30 9.797 4.457 6.772 1.00 0.00 H new ATOM 0 HE1 MET A 30 12.340 4.463 8.982 1.00 0.00 H new ATOM 0 HE2 MET A 30 10.910 5.405 8.498 1.00 0.00 H new ATOM 0 HE3 MET A 30 11.045 4.783 10.160 1.00 0.00 H new ATOM 428 N TYR A 31 8.561 6.817 6.290 1.00 0.00 N ATOM 429 CA TYR A 31 9.393 7.591 5.376 1.00 0.00 C ATOM 430 C TYR A 31 10.783 7.816 5.963 1.00 0.00 C ATOM 431 O TYR A 31 10.927 8.145 7.140 1.00 0.00 O ATOM 432 CB TYR A 31 8.734 8.937 5.070 1.00 0.00 C ATOM 433 CG TYR A 31 9.375 9.678 3.918 1.00 0.00 C ATOM 434 CD1 TYR A 31 9.001 9.418 2.605 1.00 0.00 C ATOM 435 CD2 TYR A 31 10.356 10.636 4.143 1.00 0.00 C ATOM 436 CE1 TYR A 31 9.585 10.092 1.550 1.00 0.00 C ATOM 437 CE2 TYR A 31 10.944 11.315 3.094 1.00 0.00 C ATOM 438 CZ TYR A 31 10.556 11.039 1.799 1.00 0.00 C ATOM 439 OH TYR A 31 11.141 11.713 0.751 1.00 0.00 O ATOM 0 H TYR A 31 8.479 7.215 7.226 1.00 0.00 H new ATOM 0 HA TYR A 31 9.496 7.024 4.450 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.680 8.773 4.844 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.775 9.563 5.961 1.00 0.00 H new ATOM 0 HD1 TYR A 31 8.241 8.677 2.406 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.664 10.853 5.155 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.283 9.878 0.535 1.00 0.00 H new ATOM 0 HE2 TYR A 31 11.704 12.058 3.286 1.00 0.00 H new ATOM 0 HH TYR A 31 11.644 12.480 1.096 1.00 0.00 H new ATOM 449 N ILE A 32 11.804 7.635 5.132 1.00 0.00 N ATOM 450 CA ILE A 32 13.184 7.819 5.566 1.00 0.00 C ATOM 451 C ILE A 32 13.830 9.004 4.857 1.00 0.00 C ATOM 452 O ILE A 32 14.313 8.896 3.729 1.00 0.00 O ATOM 453 CB ILE A 32 14.028 6.557 5.307 1.00 0.00 C ATOM 454 CG1 ILE A 32 13.322 5.321 5.868 1.00 0.00 C ATOM 455 CG2 ILE A 32 15.411 6.710 5.924 1.00 0.00 C ATOM 456 CD1 ILE A 32 12.348 4.690 4.898 1.00 0.00 C ATOM 0 H ILE A 32 11.702 7.361 4.155 1.00 0.00 H new ATOM 0 HA ILE A 32 13.155 8.013 6.638 1.00 0.00 H new ATOM 0 HB ILE A 32 14.143 6.429 4.231 1.00 0.00 H new ATOM 0 HG12 ILE A 32 14.071 4.582 6.151 1.00 0.00 H new ATOM 0 HG13 ILE A 32 12.789 5.598 6.777 1.00 0.00 H new ATOM 0 HG21 ILE A 32 15.996 5.810 5.733 1.00 0.00 H new ATOM 0 HG22 ILE A 32 15.913 7.570 5.482 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.315 6.859 7.000 1.00 0.00 H new ATOM 0 HD11 ILE A 32 11.885 3.819 5.362 1.00 0.00 H new ATOM 0 HD12 ILE A 32 11.577 5.414 4.634 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.879 4.381 3.998 1.00 0.00 H new ATOM 468 N PRO A 33 13.842 10.163 5.532 1.00 0.00 N ATOM 469 CA PRO A 33 14.429 11.390 4.987 1.00 0.00 C ATOM 470 C PRO A 33 15.949 11.315 4.894 1.00 0.00 C ATOM 471 O PRO A 33 16.586 12.171 4.281 1.00 0.00 O ATOM 472 CB PRO A 33 14.007 12.463 5.994 1.00 0.00 C ATOM 473 CG PRO A 33 13.796 11.723 7.270 1.00 0.00 C ATOM 474 CD PRO A 33 13.285 10.363 6.880 1.00 0.00 C ATOM 0 HA PRO A 33 14.092 11.585 3.969 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.776 13.228 6.103 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.096 12.969 5.675 1.00 0.00 H new ATOM 0 HG2 PRO A 33 14.726 11.644 7.834 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.080 12.241 7.908 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.623 9.593 7.573 1.00 0.00 H new ATOM 0 HD3 PRO A 33 12.196 10.330 6.874 1.00 0.00 H new ATOM 482 N ALA A 34 16.524 10.286 5.507 1.00 0.00 N ATOM 483 CA ALA A 34 17.970 10.098 5.491 1.00 0.00 C ATOM 484 C ALA A 34 18.496 10.007 4.063 1.00 0.00 C ATOM 485 O ALA A 34 19.186 10.908 3.587 1.00 0.00 O ATOM 486 CB ALA A 34 18.348 8.850 6.276 1.00 0.00 C ATOM 0 H ALA A 34 16.011 9.570 6.021 1.00 0.00 H new ATOM 0 HA ALA A 34 18.430 10.965 5.965 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.430 8.721 6.256 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.014 8.954 7.308 1.00 0.00 H new ATOM 0 HB3 ALA A 34 17.871 7.979 5.827 1.00 0.00 H new ATOM 492 N SER A 35 18.167 8.912 3.384 1.00 0.00 N ATOM 493 CA SER A 35 18.610 8.701 2.011 1.00 0.00 C ATOM 494 C SER A 35 17.614 9.297 1.021 1.00 0.00 C ATOM 495 O SER A 35 17.325 8.704 -0.017 1.00 0.00 O ATOM 496 CB SER A 35 18.791 7.208 1.735 1.00 0.00 C ATOM 497 OG SER A 35 20.103 6.784 2.059 1.00 0.00 O ATOM 0 H SER A 35 17.595 8.157 3.763 1.00 0.00 H new ATOM 0 HA SER A 35 19.568 9.205 1.883 1.00 0.00 H new ATOM 0 HB2 SER A 35 18.067 6.637 2.317 1.00 0.00 H new ATOM 0 HB3 SER A 35 18.588 7.002 0.684 1.00 0.00 H new ATOM 0 HG SER A 35 20.192 5.826 1.875 1.00 0.00 H new ATOM 503 N ASN A 36 17.093 10.474 1.351 1.00 0.00 N ATOM 504 CA ASN A 36 16.129 11.151 0.492 1.00 0.00 C ATOM 505 C ASN A 36 16.712 12.446 -0.066 1.00 0.00 C ATOM 506 O ASN A 36 17.766 12.904 0.373 1.00 0.00 O ATOM 507 CB ASN A 36 14.845 11.451 1.269 1.00 0.00 C ATOM 508 CG ASN A 36 13.789 12.115 0.406 1.00 0.00 C ATOM 509 OD1 ASN A 36 13.255 13.167 0.759 1.00 0.00 O ATOM 510 ND2 ASN A 36 13.482 11.502 -0.731 1.00 0.00 N ATOM 0 H ASN A 36 17.322 10.979 2.207 1.00 0.00 H new ATOM 0 HA ASN A 36 15.896 10.489 -0.342 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.445 10.523 1.678 1.00 0.00 H new ATOM 0 HB3 ASN A 36 15.078 12.097 2.115 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.778 11.901 -1.352 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.950 10.632 -0.984 1.00 0.00 H new ATOM 517 N ASN A 37 16.018 13.031 -1.037 1.00 0.00 N ATOM 518 CA ASN A 37 16.467 14.273 -1.656 1.00 0.00 C ATOM 519 C ASN A 37 15.650 15.458 -1.151 1.00 0.00 C ATOM 520 O ASN A 37 15.539 16.481 -1.826 1.00 0.00 O ATOM 521 CB ASN A 37 16.359 14.176 -3.179 1.00 0.00 C ATOM 522 CG ASN A 37 17.313 15.118 -3.887 1.00 0.00 C ATOM 523 OD1 ASN A 37 18.520 15.093 -3.647 1.00 0.00 O ATOM 524 ND2 ASN A 37 16.774 15.955 -4.766 1.00 0.00 N ATOM 0 H ASN A 37 15.143 12.665 -1.412 1.00 0.00 H new ATOM 0 HA ASN A 37 17.510 14.431 -1.382 1.00 0.00 H new ATOM 0 HB2 ASN A 37 16.565 13.152 -3.491 1.00 0.00 H new ATOM 0 HB3 ASN A 37 15.337 14.402 -3.483 1.00 0.00 H new ATOM 0 HD21 ASN A 37 17.366 16.612 -5.274 1.00 0.00 H new ATOM 0 HD22 ASN A 37 15.768 15.941 -4.933 1.00 0.00 H new ATOM 531 N ASN A 38 15.081 15.313 0.041 1.00 0.00 N ATOM 532 CA ASN A 38 14.274 16.372 0.637 1.00 0.00 C ATOM 533 C ASN A 38 13.288 16.941 -0.378 1.00 0.00 C ATOM 534 O ASN A 38 13.113 18.157 -0.476 1.00 0.00 O ATOM 535 CB ASN A 38 15.174 17.487 1.173 1.00 0.00 C ATOM 536 CG ASN A 38 14.560 18.207 2.358 1.00 0.00 C ATOM 537 OD1 ASN A 38 13.340 18.346 2.449 1.00 0.00 O ATOM 538 ND2 ASN A 38 15.405 18.669 3.272 1.00 0.00 N ATOM 0 H ASN A 38 15.164 14.473 0.613 1.00 0.00 H new ATOM 0 HA ASN A 38 13.708 15.942 1.464 1.00 0.00 H new ATOM 0 HB2 ASN A 38 16.135 17.065 1.466 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.371 18.205 0.377 1.00 0.00 H new ATOM 0 HD21 ASN A 38 15.050 19.162 4.091 1.00 0.00 H new ATOM 0 HD22 ASN A 38 16.409 18.530 3.155 1.00 0.00 H new ATOM 545 N THR A 39 12.646 16.055 -1.133 1.00 0.00 N ATOM 546 CA THR A 39 11.678 16.469 -2.141 1.00 0.00 C ATOM 547 C THR A 39 10.250 16.291 -1.638 1.00 0.00 C ATOM 548 O THR A 39 9.914 15.301 -0.989 1.00 0.00 O ATOM 549 CB THR A 39 11.853 15.672 -3.448 1.00 0.00 C ATOM 550 OG1 THR A 39 11.056 16.253 -4.486 1.00 0.00 O ATOM 551 CG2 THR A 39 11.457 14.217 -3.251 1.00 0.00 C ATOM 0 H THR A 39 12.779 15.046 -1.065 1.00 0.00 H new ATOM 0 HA THR A 39 11.861 17.525 -2.340 1.00 0.00 H new ATOM 0 HB THR A 39 12.904 15.710 -3.734 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.174 15.742 -5.314 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.589 13.674 -4.187 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.085 13.770 -2.481 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.413 14.163 -2.944 1.00 0.00 H new ATOM 559 N PRO A 40 9.388 17.272 -1.945 1.00 0.00 N ATOM 560 CA PRO A 40 7.981 17.246 -1.534 1.00 0.00 C ATOM 561 C PRO A 40 7.181 16.178 -2.273 1.00 0.00 C ATOM 562 O PRO A 40 7.268 16.060 -3.496 1.00 0.00 O ATOM 563 CB PRO A 40 7.477 18.643 -1.904 1.00 0.00 C ATOM 564 CG PRO A 40 8.376 19.090 -3.005 1.00 0.00 C ATOM 565 CD PRO A 40 9.720 18.482 -2.716 1.00 0.00 C ATOM 0 HA PRO A 40 7.870 17.004 -0.477 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.437 18.616 -2.229 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.527 19.321 -1.052 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.999 18.761 -3.974 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.439 20.178 -3.040 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.257 18.239 -3.633 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.354 19.161 -2.145 1.00 0.00 H new ATOM 573 N ILE A 41 6.404 15.403 -1.524 1.00 0.00 N ATOM 574 CA ILE A 41 5.588 14.347 -2.109 1.00 0.00 C ATOM 575 C ILE A 41 4.151 14.812 -2.316 1.00 0.00 C ATOM 576 O ILE A 41 3.594 15.530 -1.484 1.00 0.00 O ATOM 577 CB ILE A 41 5.585 13.084 -1.228 1.00 0.00 C ATOM 578 CG1 ILE A 41 6.985 12.822 -0.669 1.00 0.00 C ATOM 579 CG2 ILE A 41 5.093 11.884 -2.023 1.00 0.00 C ATOM 580 CD1 ILE A 41 7.099 11.518 0.088 1.00 0.00 C ATOM 0 H ILE A 41 6.323 15.487 -0.511 1.00 0.00 H new ATOM 0 HA ILE A 41 6.031 14.105 -3.075 1.00 0.00 H new ATOM 0 HB ILE A 41 4.905 13.244 -0.392 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.701 12.819 -1.491 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.263 13.642 -0.007 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.097 10.999 -1.386 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.079 12.072 -2.376 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.750 11.719 -2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.118 11.398 0.455 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.408 11.525 0.931 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.853 10.689 -0.576 1.00 0.00 H new ATOM 592 N HIS A 42 3.554 14.398 -3.429 1.00 0.00 N ATOM 593 CA HIS A 42 2.179 14.770 -3.743 1.00 0.00 C ATOM 594 C HIS A 42 1.191 13.882 -2.994 1.00 0.00 C ATOM 595 O HIS A 42 0.163 14.353 -2.509 1.00 0.00 O ATOM 596 CB HIS A 42 1.934 14.670 -5.249 1.00 0.00 C ATOM 597 CG HIS A 42 2.290 15.917 -5.999 1.00 0.00 C ATOM 598 ND1 HIS A 42 1.857 16.173 -7.283 1.00 0.00 N ATOM 599 CD2 HIS A 42 3.042 16.983 -5.637 1.00 0.00 C ATOM 600 CE1 HIS A 42 2.328 17.342 -7.679 1.00 0.00 C ATOM 601 NE2 HIS A 42 3.050 17.854 -6.699 1.00 0.00 N ATOM 0 H HIS A 42 4.001 13.805 -4.128 1.00 0.00 H new ATOM 0 HA HIS A 42 2.025 15.801 -3.425 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.514 13.838 -5.648 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.883 14.439 -5.423 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.542 17.122 -4.690 1.00 0.00 H new ATOM 0 HE1 HIS A 42 2.152 17.801 -8.641 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.535 18.751 -6.726 1.00 0.00 H new ATOM 610 N GLY A 43 1.509 12.594 -2.905 1.00 0.00 N ATOM 611 CA GLY A 43 0.638 11.661 -2.215 1.00 0.00 C ATOM 612 C GLY A 43 1.262 10.288 -2.064 1.00 0.00 C ATOM 613 O GLY A 43 2.483 10.143 -2.132 1.00 0.00 O ATOM 0 H GLY A 43 2.354 12.180 -3.298 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.395 12.057 -1.229 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.300 11.572 -2.762 1.00 0.00 H new ATOM 617 N PHE A 44 0.424 9.278 -1.855 1.00 0.00 N ATOM 618 CA PHE A 44 0.902 7.910 -1.691 1.00 0.00 C ATOM 619 C PHE A 44 0.034 6.933 -2.478 1.00 0.00 C ATOM 620 O PHE A 44 -1.192 6.946 -2.368 1.00 0.00 O ATOM 621 CB PHE A 44 0.909 7.525 -0.210 1.00 0.00 C ATOM 622 CG PHE A 44 2.014 8.173 0.573 1.00 0.00 C ATOM 623 CD1 PHE A 44 3.338 7.839 0.336 1.00 0.00 C ATOM 624 CD2 PHE A 44 1.730 9.118 1.546 1.00 0.00 C ATOM 625 CE1 PHE A 44 4.356 8.434 1.056 1.00 0.00 C ATOM 626 CE2 PHE A 44 2.744 9.717 2.269 1.00 0.00 C ATOM 627 CZ PHE A 44 4.060 9.374 2.023 1.00 0.00 C ATOM 0 H PHE A 44 -0.589 9.381 -1.795 1.00 0.00 H new ATOM 0 HA PHE A 44 1.920 7.858 -2.078 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.048 7.799 0.233 1.00 0.00 H new ATOM 0 HB3 PHE A 44 1.001 6.442 -0.125 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.577 7.105 -0.420 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.703 9.390 1.742 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.384 8.164 0.862 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.509 10.452 3.025 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.855 9.840 2.586 1.00 0.00 H new ATOM 637 N TYR A 45 0.680 6.087 -3.274 1.00 0.00 N ATOM 638 CA TYR A 45 -0.032 5.105 -4.083 1.00 0.00 C ATOM 639 C TYR A 45 0.069 3.714 -3.464 1.00 0.00 C ATOM 640 O TYR A 45 1.147 3.281 -3.056 1.00 0.00 O ATOM 641 CB TYR A 45 0.527 5.084 -5.506 1.00 0.00 C ATOM 642 CG TYR A 45 -0.175 6.038 -6.446 1.00 0.00 C ATOM 643 CD1 TYR A 45 -1.561 6.126 -6.471 1.00 0.00 C ATOM 644 CD2 TYR A 45 0.549 6.852 -7.310 1.00 0.00 C ATOM 645 CE1 TYR A 45 -2.206 6.995 -7.329 1.00 0.00 C ATOM 646 CE2 TYR A 45 -0.088 7.725 -8.170 1.00 0.00 C ATOM 647 CZ TYR A 45 -1.466 7.793 -8.176 1.00 0.00 C ATOM 648 OH TYR A 45 -2.105 8.661 -9.031 1.00 0.00 O ATOM 0 H TYR A 45 1.695 6.062 -3.376 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.083 5.393 -4.117 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.588 5.333 -5.474 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.449 4.072 -5.903 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.144 5.504 -5.808 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.628 6.801 -7.309 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.285 7.049 -7.337 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.489 8.351 -8.834 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.439 9.150 -9.558 1.00 0.00 H new ATOM 658 N ILE A 46 -1.061 3.019 -3.400 1.00 0.00 N ATOM 659 CA ILE A 46 -1.101 1.676 -2.833 1.00 0.00 C ATOM 660 C ILE A 46 -1.637 0.668 -3.844 1.00 0.00 C ATOM 661 O ILE A 46 -2.782 0.766 -4.286 1.00 0.00 O ATOM 662 CB ILE A 46 -1.971 1.626 -1.564 1.00 0.00 C ATOM 663 CG1 ILE A 46 -1.348 2.479 -0.457 1.00 0.00 C ATOM 664 CG2 ILE A 46 -2.146 0.188 -1.098 1.00 0.00 C ATOM 665 CD1 ILE A 46 -2.364 3.082 0.486 1.00 0.00 C ATOM 0 H ILE A 46 -1.961 3.363 -3.734 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.076 1.414 -2.571 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.954 2.033 -1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.653 1.865 0.116 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.766 3.281 -0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.763 0.169 -0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.630 -0.393 -1.883 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.170 -0.244 -0.877 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.851 3.673 1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.045 3.723 -0.074 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.930 2.285 0.969 1.00 0.00 H new ATOM 677 N TYR A 47 -0.803 -0.300 -4.206 1.00 0.00 N ATOM 678 CA TYR A 47 -1.193 -1.326 -5.165 1.00 0.00 C ATOM 679 C TYR A 47 -1.512 -2.640 -4.459 1.00 0.00 C ATOM 680 O TYR A 47 -0.892 -2.983 -3.451 1.00 0.00 O ATOM 681 CB TYR A 47 -0.079 -1.543 -6.192 1.00 0.00 C ATOM 682 CG TYR A 47 0.357 -0.275 -6.889 1.00 0.00 C ATOM 683 CD1 TYR A 47 1.145 0.665 -6.236 1.00 0.00 C ATOM 684 CD2 TYR A 47 -0.018 -0.017 -8.202 1.00 0.00 C ATOM 685 CE1 TYR A 47 1.545 1.825 -6.870 1.00 0.00 C ATOM 686 CE2 TYR A 47 0.379 1.140 -8.844 1.00 0.00 C ATOM 687 CZ TYR A 47 1.160 2.058 -8.173 1.00 0.00 C ATOM 688 OH TYR A 47 1.558 3.213 -8.808 1.00 0.00 O ATOM 0 H TYR A 47 0.148 -0.396 -3.850 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.091 -0.984 -5.679 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.782 -1.988 -5.693 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.420 -2.260 -6.939 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.450 0.485 -5.216 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.630 -0.733 -8.730 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.156 2.546 -6.348 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.080 1.325 -9.865 1.00 0.00 H new ATOM 0 HH TYR A 47 1.416 3.121 -9.773 1.00 0.00 H new ATOM 698 N TYR A 48 -2.482 -3.372 -4.995 1.00 0.00 N ATOM 699 CA TYR A 48 -2.886 -4.648 -4.416 1.00 0.00 C ATOM 700 C TYR A 48 -3.536 -5.542 -5.467 1.00 0.00 C ATOM 701 O TYR A 48 -4.265 -5.066 -6.338 1.00 0.00 O ATOM 702 CB TYR A 48 -3.855 -4.420 -3.254 1.00 0.00 C ATOM 703 CG TYR A 48 -4.893 -3.357 -3.530 1.00 0.00 C ATOM 704 CD1 TYR A 48 -4.585 -2.008 -3.405 1.00 0.00 C ATOM 705 CD2 TYR A 48 -6.182 -3.701 -3.917 1.00 0.00 C ATOM 706 CE1 TYR A 48 -5.531 -1.033 -3.656 1.00 0.00 C ATOM 707 CE2 TYR A 48 -7.134 -2.733 -4.172 1.00 0.00 C ATOM 708 CZ TYR A 48 -6.804 -1.400 -4.039 1.00 0.00 C ATOM 709 OH TYR A 48 -7.748 -0.432 -4.292 1.00 0.00 O ATOM 0 H TYR A 48 -3.003 -3.104 -5.830 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.992 -5.148 -4.043 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.360 -5.358 -3.024 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -3.286 -4.139 -2.368 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.589 -1.717 -3.106 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.444 -4.744 -4.020 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.275 0.011 -3.553 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.131 -3.018 -4.474 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.327 0.322 -4.755 1.00 0.00 H new ATOM 719 N ARG A 49 -3.267 -6.840 -5.379 1.00 0.00 N ATOM 720 CA ARG A 49 -3.824 -7.802 -6.322 1.00 0.00 C ATOM 721 C ARG A 49 -3.866 -9.200 -5.712 1.00 0.00 C ATOM 722 O ARG A 49 -2.981 -9.600 -4.955 1.00 0.00 O ATOM 723 CB ARG A 49 -3.001 -7.820 -7.611 1.00 0.00 C ATOM 724 CG ARG A 49 -1.625 -8.446 -7.446 1.00 0.00 C ATOM 725 CD ARG A 49 -1.655 -9.939 -7.732 1.00 0.00 C ATOM 726 NE ARG A 49 -0.412 -10.596 -7.337 1.00 0.00 N ATOM 727 CZ ARG A 49 0.666 -10.658 -8.111 1.00 0.00 C ATOM 728 NH1 ARG A 49 0.653 -10.104 -9.316 1.00 0.00 N ATOM 729 NH2 ARG A 49 1.759 -11.274 -7.681 1.00 0.00 N ATOM 0 H ARG A 49 -2.666 -7.250 -4.664 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.844 -7.496 -6.555 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.551 -8.368 -8.376 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.885 -6.798 -7.973 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.919 -7.959 -8.119 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.266 -8.276 -6.431 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.491 -10.394 -7.200 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.829 -10.101 -8.796 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.369 -11.031 -6.416 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.186 -9.629 -9.650 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.482 -10.153 -9.909 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.773 -11.701 -6.755 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.586 -11.321 -8.277 1.00 0.00 H new ATOM 743 N PRO A 50 -4.918 -9.961 -6.048 1.00 0.00 N ATOM 744 CA PRO A 50 -5.100 -11.326 -5.544 1.00 0.00 C ATOM 745 C PRO A 50 -4.083 -12.300 -6.130 1.00 0.00 C ATOM 746 O PRO A 50 -3.723 -12.207 -7.304 1.00 0.00 O ATOM 747 CB PRO A 50 -6.514 -11.688 -6.004 1.00 0.00 C ATOM 748 CG PRO A 50 -6.755 -10.830 -7.198 1.00 0.00 C ATOM 749 CD PRO A 50 -6.010 -9.549 -6.944 1.00 0.00 C ATOM 0 HA PRO A 50 -4.960 -11.384 -4.465 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -6.590 -12.746 -6.255 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.247 -11.492 -5.221 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -6.398 -11.316 -8.106 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.820 -10.642 -7.335 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -5.629 -9.116 -7.869 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.649 -8.798 -6.480 1.00 0.00 H new ATOM 757 N THR A 51 -3.624 -13.236 -5.305 1.00 0.00 N ATOM 758 CA THR A 51 -2.649 -14.228 -5.741 1.00 0.00 C ATOM 759 C THR A 51 -3.152 -14.995 -6.958 1.00 0.00 C ATOM 760 O THR A 51 -2.369 -15.607 -7.685 1.00 0.00 O ATOM 761 CB THR A 51 -2.323 -15.228 -4.616 1.00 0.00 C ATOM 762 OG1 THR A 51 -0.992 -15.730 -4.777 1.00 0.00 O ATOM 763 CG2 THR A 51 -3.310 -16.385 -4.618 1.00 0.00 C ATOM 0 H THR A 51 -3.912 -13.328 -4.331 1.00 0.00 H new ATOM 0 HA THR A 51 -1.742 -13.684 -6.007 1.00 0.00 H new ATOM 0 HB THR A 51 -2.401 -14.706 -3.662 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.792 -16.364 -4.057 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.060 -17.078 -3.815 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.319 -16.003 -4.466 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.259 -16.905 -5.575 1.00 0.00 H new ATOM 771 N ASP A 52 -4.462 -14.958 -7.175 1.00 0.00 N ATOM 772 CA ASP A 52 -5.069 -15.650 -8.307 1.00 0.00 C ATOM 773 C ASP A 52 -4.882 -14.853 -9.594 1.00 0.00 C ATOM 774 O ASP A 52 -4.899 -15.413 -10.690 1.00 0.00 O ATOM 775 CB ASP A 52 -6.558 -15.884 -8.049 1.00 0.00 C ATOM 776 CG ASP A 52 -6.823 -17.196 -7.336 1.00 0.00 C ATOM 777 OD1 ASP A 52 -6.551 -17.275 -6.120 1.00 0.00 O ATOM 778 OD2 ASP A 52 -7.301 -18.143 -7.995 1.00 0.00 O ATOM 0 H ASP A 52 -5.124 -14.457 -6.583 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.572 -16.613 -8.422 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.954 -15.063 -7.451 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.094 -15.875 -8.998 1.00 0.00 H new ATOM 783 N SER A 53 -4.706 -13.543 -9.453 1.00 0.00 N ATOM 784 CA SER A 53 -4.521 -12.668 -10.605 1.00 0.00 C ATOM 785 C SER A 53 -3.554 -13.289 -11.609 1.00 0.00 C ATOM 786 O SER A 53 -2.879 -14.274 -11.310 1.00 0.00 O ATOM 787 CB SER A 53 -3.999 -11.302 -10.156 1.00 0.00 C ATOM 788 OG SER A 53 -5.064 -10.456 -9.758 1.00 0.00 O ATOM 0 H SER A 53 -4.688 -13.064 -8.553 1.00 0.00 H new ATOM 0 HA SER A 53 -5.488 -12.538 -11.090 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.302 -11.430 -9.327 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.444 -10.835 -10.970 1.00 0.00 H new ATOM 0 HG SER A 53 -5.912 -10.819 -10.089 1.00 0.00 H new ATOM 794 N ASP A 54 -3.495 -12.706 -12.801 1.00 0.00 N ATOM 795 CA ASP A 54 -2.611 -13.200 -13.851 1.00 0.00 C ATOM 796 C ASP A 54 -1.262 -12.489 -13.805 1.00 0.00 C ATOM 797 O ASP A 54 -0.225 -13.117 -13.599 1.00 0.00 O ATOM 798 CB ASP A 54 -3.257 -13.008 -15.224 1.00 0.00 C ATOM 799 CG ASP A 54 -2.790 -14.039 -16.233 1.00 0.00 C ATOM 800 OD1 ASP A 54 -1.633 -14.495 -16.122 1.00 0.00 O ATOM 801 OD2 ASP A 54 -3.581 -14.389 -17.133 1.00 0.00 O ATOM 0 H ASP A 54 -4.049 -11.891 -13.065 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.446 -14.264 -13.682 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.341 -13.067 -15.124 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.025 -12.010 -15.595 1.00 0.00 H new ATOM 806 N ASN A 55 -1.286 -11.174 -14.000 1.00 0.00 N ATOM 807 CA ASN A 55 -0.064 -10.377 -13.982 1.00 0.00 C ATOM 808 C ASN A 55 -0.301 -9.033 -13.300 1.00 0.00 C ATOM 809 O ASN A 55 -1.392 -8.765 -12.796 1.00 0.00 O ATOM 810 CB ASN A 55 0.444 -10.155 -15.408 1.00 0.00 C ATOM 811 CG ASN A 55 0.762 -11.456 -16.118 1.00 0.00 C ATOM 812 OD1 ASN A 55 1.742 -12.128 -15.798 1.00 0.00 O ATOM 813 ND2 ASN A 55 -0.069 -11.818 -17.089 1.00 0.00 N ATOM 0 H ASN A 55 -2.137 -10.638 -14.172 1.00 0.00 H new ATOM 0 HA ASN A 55 0.689 -10.924 -13.415 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.308 -9.608 -15.977 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.338 -9.532 -15.379 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.093 -12.684 -17.603 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.869 -11.230 -17.321 1.00 0.00 H new ATOM 820 N ASP A 56 0.727 -8.193 -13.288 1.00 0.00 N ATOM 821 CA ASP A 56 0.631 -6.876 -12.669 1.00 0.00 C ATOM 822 C ASP A 56 -0.547 -6.092 -13.239 1.00 0.00 C ATOM 823 O ASP A 56 -1.010 -5.123 -12.638 1.00 0.00 O ATOM 824 CB ASP A 56 1.929 -6.094 -12.877 1.00 0.00 C ATOM 825 CG ASP A 56 2.950 -6.367 -11.790 1.00 0.00 C ATOM 826 OD1 ASP A 56 3.060 -7.534 -11.359 1.00 0.00 O ATOM 827 OD2 ASP A 56 3.638 -5.413 -11.369 1.00 0.00 O ATOM 0 H ASP A 56 1.637 -8.400 -13.700 1.00 0.00 H new ATOM 0 HA ASP A 56 0.468 -7.016 -11.600 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.355 -6.355 -13.846 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.707 -5.027 -12.903 1.00 0.00 H new ATOM 832 N SER A 57 -1.025 -6.516 -14.405 1.00 0.00 N ATOM 833 CA SER A 57 -2.145 -5.851 -15.060 1.00 0.00 C ATOM 834 C SER A 57 -3.326 -5.708 -14.104 1.00 0.00 C ATOM 835 O SER A 57 -4.230 -4.905 -14.334 1.00 0.00 O ATOM 836 CB SER A 57 -2.573 -6.632 -16.304 1.00 0.00 C ATOM 837 OG SER A 57 -3.558 -5.924 -17.036 1.00 0.00 O ATOM 0 H SER A 57 -0.654 -7.317 -14.915 1.00 0.00 H new ATOM 0 HA SER A 57 -1.819 -4.855 -15.360 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.706 -6.816 -16.938 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.964 -7.606 -16.009 1.00 0.00 H new ATOM 0 HG SER A 57 -3.814 -6.443 -17.827 1.00 0.00 H new ATOM 843 N ASP A 58 -3.309 -6.492 -13.032 1.00 0.00 N ATOM 844 CA ASP A 58 -4.377 -6.453 -12.040 1.00 0.00 C ATOM 845 C ASP A 58 -4.071 -5.430 -10.951 1.00 0.00 C ATOM 846 O ASP A 58 -4.953 -4.693 -10.511 1.00 0.00 O ATOM 847 CB ASP A 58 -4.574 -7.836 -11.417 1.00 0.00 C ATOM 848 CG ASP A 58 -4.973 -8.881 -12.440 1.00 0.00 C ATOM 849 OD1 ASP A 58 -4.110 -9.276 -13.251 1.00 0.00 O ATOM 850 OD2 ASP A 58 -6.149 -9.302 -12.431 1.00 0.00 O ATOM 0 H ASP A 58 -2.568 -7.162 -12.828 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.296 -6.156 -12.544 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.651 -8.145 -10.927 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.340 -7.777 -10.644 1.00 0.00 H new ATOM 855 N TYR A 59 -2.815 -5.391 -10.520 1.00 0.00 N ATOM 856 CA TYR A 59 -2.392 -4.460 -9.480 1.00 0.00 C ATOM 857 C TYR A 59 -3.141 -3.137 -9.596 1.00 0.00 C ATOM 858 O TYR A 59 -3.048 -2.443 -10.609 1.00 0.00 O ATOM 859 CB TYR A 59 -0.885 -4.215 -9.567 1.00 0.00 C ATOM 860 CG TYR A 59 -0.068 -5.157 -8.712 1.00 0.00 C ATOM 861 CD1 TYR A 59 -0.414 -5.404 -7.389 1.00 0.00 C ATOM 862 CD2 TYR A 59 1.051 -5.800 -9.227 1.00 0.00 C ATOM 863 CE1 TYR A 59 0.329 -6.263 -6.604 1.00 0.00 C ATOM 864 CE2 TYR A 59 1.800 -6.662 -8.449 1.00 0.00 C ATOM 865 CZ TYR A 59 1.435 -6.890 -7.138 1.00 0.00 C ATOM 866 OH TYR A 59 2.180 -7.747 -6.360 1.00 0.00 O ATOM 0 H TYR A 59 -2.072 -5.993 -10.875 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.625 -4.905 -8.513 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.569 -4.314 -10.605 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.674 -3.189 -9.266 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.280 -4.915 -6.967 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.340 -5.623 -10.252 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.046 -6.443 -5.577 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.666 -7.155 -8.865 1.00 0.00 H new ATOM 0 HH TYR A 59 1.869 -8.666 -6.496 1.00 0.00 H new ATOM 876 N LYS A 60 -3.885 -2.792 -8.550 1.00 0.00 N ATOM 877 CA LYS A 60 -4.650 -1.550 -8.531 1.00 0.00 C ATOM 878 C LYS A 60 -3.798 -0.394 -8.018 1.00 0.00 C ATOM 879 O LYS A 60 -2.602 -0.552 -7.771 1.00 0.00 O ATOM 880 CB LYS A 60 -5.895 -1.708 -7.655 1.00 0.00 C ATOM 881 CG LYS A 60 -7.093 -2.274 -8.398 1.00 0.00 C ATOM 882 CD LYS A 60 -8.259 -2.536 -7.459 1.00 0.00 C ATOM 883 CE LYS A 60 -9.038 -1.262 -7.169 1.00 0.00 C ATOM 884 NZ LYS A 60 -10.372 -1.551 -6.575 1.00 0.00 N ATOM 0 H LYS A 60 -3.975 -3.355 -7.704 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.957 -1.326 -9.552 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.658 -2.361 -6.815 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.162 -0.737 -7.239 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.402 -1.577 -9.177 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.809 -3.202 -8.895 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.924 -3.278 -7.901 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.888 -2.957 -6.525 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.465 -0.633 -6.487 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.166 -0.697 -8.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.872 -0.657 -6.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.928 -2.130 -7.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.249 -2.068 -5.681 1.00 0.00 H new ATOM 898 N LYS A 61 -4.421 0.769 -7.858 1.00 0.00 N ATOM 899 CA LYS A 61 -3.722 1.952 -7.372 1.00 0.00 C ATOM 900 C LYS A 61 -4.648 2.824 -6.530 1.00 0.00 C ATOM 901 O LYS A 61 -5.728 3.210 -6.976 1.00 0.00 O ATOM 902 CB LYS A 61 -3.170 2.762 -8.547 1.00 0.00 C ATOM 903 CG LYS A 61 -2.320 3.948 -8.122 1.00 0.00 C ATOM 904 CD LYS A 61 -1.391 4.396 -9.238 1.00 0.00 C ATOM 905 CE LYS A 61 -2.141 5.171 -10.310 1.00 0.00 C ATOM 906 NZ LYS A 61 -1.297 5.412 -11.513 1.00 0.00 N ATOM 0 H LYS A 61 -5.410 0.917 -8.058 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.894 1.622 -6.745 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.573 2.106 -9.181 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.002 3.120 -9.153 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.967 4.776 -7.832 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.733 3.680 -7.244 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.598 5.019 -8.825 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.912 3.525 -9.685 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.035 4.619 -10.599 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.473 6.126 -9.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.844 5.943 -12.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.456 5.961 -11.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.001 4.501 -11.917 1.00 0.00 H new ATOM 920 N ASP A 62 -4.217 3.131 -5.311 1.00 0.00 N ATOM 921 CA ASP A 62 -5.007 3.960 -4.408 1.00 0.00 C ATOM 922 C ASP A 62 -4.219 5.192 -3.973 1.00 0.00 C ATOM 923 O ASP A 62 -3.260 5.089 -3.208 1.00 0.00 O ATOM 924 CB ASP A 62 -5.432 3.151 -3.181 1.00 0.00 C ATOM 925 CG ASP A 62 -6.750 2.431 -3.390 1.00 0.00 C ATOM 926 OD1 ASP A 62 -7.240 2.413 -4.539 1.00 0.00 O ATOM 927 OD2 ASP A 62 -7.292 1.886 -2.406 1.00 0.00 O ATOM 0 H ASP A 62 -3.326 2.818 -4.926 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.898 4.291 -4.942 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.657 2.422 -2.944 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.517 3.817 -2.322 1.00 0.00 H new ATOM 932 N MET A 63 -4.631 6.355 -4.465 1.00 0.00 N ATOM 933 CA MET A 63 -3.964 7.607 -4.127 1.00 0.00 C ATOM 934 C MET A 63 -4.303 8.036 -2.703 1.00 0.00 C ATOM 935 O MET A 63 -5.428 7.850 -2.239 1.00 0.00 O ATOM 936 CB MET A 63 -4.365 8.706 -5.112 1.00 0.00 C ATOM 937 CG MET A 63 -3.298 9.772 -5.301 1.00 0.00 C ATOM 938 SD MET A 63 -3.993 11.386 -5.707 1.00 0.00 S ATOM 939 CE MET A 63 -4.093 12.130 -4.080 1.00 0.00 C ATOM 0 H MET A 63 -5.423 6.457 -5.099 1.00 0.00 H new ATOM 0 HA MET A 63 -2.888 7.446 -4.193 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.589 8.253 -6.078 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.282 9.180 -4.762 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.707 9.854 -4.389 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.618 9.463 -6.095 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.505 13.135 -4.164 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.738 11.525 -3.442 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.096 12.182 -3.642 1.00 0.00 H new ATOM 949 N VAL A 64 -3.323 8.611 -2.013 1.00 0.00 N ATOM 950 CA VAL A 64 -3.518 9.068 -0.642 1.00 0.00 C ATOM 951 C VAL A 64 -2.744 10.354 -0.376 1.00 0.00 C ATOM 952 O VAL A 64 -1.750 10.640 -1.041 1.00 0.00 O ATOM 953 CB VAL A 64 -3.079 7.997 0.374 1.00 0.00 C ATOM 954 CG1 VAL A 64 -3.690 8.272 1.739 1.00 0.00 C ATOM 955 CG2 VAL A 64 -3.457 6.608 -0.119 1.00 0.00 C ATOM 0 H VAL A 64 -2.385 8.771 -2.381 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.584 9.258 -0.520 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.994 8.039 0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.368 7.505 2.443 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.363 9.250 2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.777 8.259 1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.139 5.864 0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.538 6.550 -0.250 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.965 6.414 -1.072 1.00 0.00 H new ATOM 965 N GLU A 65 -3.208 11.125 0.603 1.00 0.00 N ATOM 966 CA GLU A 65 -2.559 12.382 0.957 1.00 0.00 C ATOM 967 C GLU A 65 -1.060 12.180 1.165 1.00 0.00 C ATOM 968 O GLU A 65 -0.628 11.152 1.684 1.00 0.00 O ATOM 969 CB GLU A 65 -3.186 12.966 2.224 1.00 0.00 C ATOM 970 CG GLU A 65 -4.676 12.692 2.348 1.00 0.00 C ATOM 971 CD GLU A 65 -5.394 12.760 1.014 1.00 0.00 C ATOM 972 OE1 GLU A 65 -5.090 13.678 0.223 1.00 0.00 O ATOM 973 OE2 GLU A 65 -6.260 11.897 0.761 1.00 0.00 O ATOM 0 H GLU A 65 -4.030 10.901 1.164 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.704 13.081 0.133 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.676 12.554 3.095 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.021 14.043 2.238 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.825 11.705 2.787 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.119 13.416 3.032 1.00 0.00 H new ATOM 980 N GLY A 66 -0.273 13.170 0.755 1.00 0.00 N ATOM 981 CA GLY A 66 1.168 13.082 0.904 1.00 0.00 C ATOM 982 C GLY A 66 1.609 13.201 2.349 1.00 0.00 C ATOM 983 O GLY A 66 2.780 12.988 2.667 1.00 0.00 O ATOM 0 H GLY A 66 -0.607 14.031 0.322 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.515 12.132 0.498 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.640 13.870 0.317 1.00 0.00 H new ATOM 987 N ASP A 67 0.672 13.543 3.227 1.00 0.00 N ATOM 988 CA ASP A 67 0.971 13.690 4.646 1.00 0.00 C ATOM 989 C ASP A 67 0.423 12.509 5.442 1.00 0.00 C ATOM 990 O ASP A 67 0.808 12.291 6.591 1.00 0.00 O ATOM 991 CB ASP A 67 0.384 14.997 5.180 1.00 0.00 C ATOM 992 CG ASP A 67 0.831 16.203 4.377 1.00 0.00 C ATOM 993 OD1 ASP A 67 2.043 16.504 4.383 1.00 0.00 O ATOM 994 OD2 ASP A 67 -0.032 16.846 3.742 1.00 0.00 O ATOM 0 H ASP A 67 -0.301 13.724 2.980 1.00 0.00 H new ATOM 0 HA ASP A 67 2.054 13.713 4.763 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.704 14.936 5.164 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.681 15.127 6.221 1.00 0.00 H new ATOM 999 N ARG A 68 -0.478 11.753 4.824 1.00 0.00 N ATOM 1000 CA ARG A 68 -1.081 10.596 5.476 1.00 0.00 C ATOM 1001 C ARG A 68 -0.180 9.371 5.351 1.00 0.00 C ATOM 1002 O ARG A 68 0.248 9.012 4.254 1.00 0.00 O ATOM 1003 CB ARG A 68 -2.452 10.299 4.867 1.00 0.00 C ATOM 1004 CG ARG A 68 -3.364 9.498 5.782 1.00 0.00 C ATOM 1005 CD ARG A 68 -4.202 10.406 6.668 1.00 0.00 C ATOM 1006 NE ARG A 68 -3.494 10.786 7.887 1.00 0.00 N ATOM 1007 CZ ARG A 68 -4.017 11.562 8.830 1.00 0.00 C ATOM 1008 NH1 ARG A 68 -5.247 12.038 8.694 1.00 0.00 N ATOM 1009 NH2 ARG A 68 -3.310 11.864 9.911 1.00 0.00 N ATOM 0 H ARG A 68 -0.807 11.920 3.873 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.204 10.829 6.534 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.940 11.241 4.615 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.315 9.752 3.934 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.020 8.867 5.182 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.764 8.834 6.404 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.475 11.303 6.113 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.131 9.899 6.931 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.545 10.436 8.022 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.794 11.809 7.864 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.646 12.634 9.419 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.363 11.500 10.019 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.713 12.460 10.634 1.00 0.00 H new ATOM 1023 N TYR A 69 0.103 8.735 6.482 1.00 0.00 N ATOM 1024 CA TYR A 69 0.956 7.552 6.500 1.00 0.00 C ATOM 1025 C TYR A 69 0.145 6.301 6.825 1.00 0.00 C ATOM 1026 O TYR A 69 0.704 5.240 7.104 1.00 0.00 O ATOM 1027 CB TYR A 69 2.081 7.723 7.522 1.00 0.00 C ATOM 1028 CG TYR A 69 3.273 8.485 6.988 1.00 0.00 C ATOM 1029 CD1 TYR A 69 3.135 9.381 5.935 1.00 0.00 C ATOM 1030 CD2 TYR A 69 4.537 8.309 7.537 1.00 0.00 C ATOM 1031 CE1 TYR A 69 4.222 10.078 5.444 1.00 0.00 C ATOM 1032 CE2 TYR A 69 5.629 9.003 7.053 1.00 0.00 C ATOM 1033 CZ TYR A 69 5.466 9.886 6.006 1.00 0.00 C ATOM 1034 OH TYR A 69 6.551 10.580 5.520 1.00 0.00 O ATOM 0 H TYR A 69 -0.245 9.018 7.398 1.00 0.00 H new ATOM 0 HA TYR A 69 1.391 7.434 5.508 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.690 8.243 8.397 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.409 6.739 7.856 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.162 9.535 5.493 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.668 7.618 8.356 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.098 10.770 4.624 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.605 8.855 7.492 1.00 0.00 H new ATOM 0 HH TYR A 69 6.587 10.489 4.545 1.00 0.00 H new ATOM 1044 N TRP A 70 -1.176 6.434 6.785 1.00 0.00 N ATOM 1045 CA TRP A 70 -2.066 5.315 7.075 1.00 0.00 C ATOM 1046 C TRP A 70 -3.204 5.248 6.063 1.00 0.00 C ATOM 1047 O TRP A 70 -3.684 6.277 5.585 1.00 0.00 O ATOM 1048 CB TRP A 70 -2.632 5.440 8.490 1.00 0.00 C ATOM 1049 CG TRP A 70 -3.738 6.445 8.601 1.00 0.00 C ATOM 1050 CD1 TRP A 70 -3.611 7.805 8.616 1.00 0.00 C ATOM 1051 CD2 TRP A 70 -5.138 6.170 8.714 1.00 0.00 C ATOM 1052 NE1 TRP A 70 -4.848 8.392 8.731 1.00 0.00 N ATOM 1053 CE2 TRP A 70 -5.802 7.410 8.792 1.00 0.00 C ATOM 1054 CE3 TRP A 70 -5.897 4.997 8.754 1.00 0.00 C ATOM 1055 CZ2 TRP A 70 -7.186 7.508 8.910 1.00 0.00 C ATOM 1056 CZ3 TRP A 70 -7.270 5.095 8.871 1.00 0.00 C ATOM 1057 CH2 TRP A 70 -7.903 6.343 8.947 1.00 0.00 C ATOM 0 H TRP A 70 -1.654 7.305 6.555 1.00 0.00 H new ATOM 0 HA TRP A 70 -1.487 4.395 7.003 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.001 4.467 8.813 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.828 5.718 9.172 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.676 8.340 8.548 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -5.027 9.396 8.765 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -5.418 4.031 8.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -7.676 8.469 8.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -7.866 4.195 8.904 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -8.978 6.386 9.037 1.00 0.00 H new ATOM 1068 N HIS A 71 -3.632 4.032 5.739 1.00 0.00 N ATOM 1069 CA HIS A 71 -4.716 3.832 4.783 1.00 0.00 C ATOM 1070 C HIS A 71 -5.361 2.463 4.972 1.00 0.00 C ATOM 1071 O HIS A 71 -4.670 1.455 5.119 1.00 0.00 O ATOM 1072 CB HIS A 71 -4.194 3.969 3.353 1.00 0.00 C ATOM 1073 CG HIS A 71 -5.250 3.779 2.309 1.00 0.00 C ATOM 1074 ND1 HIS A 71 -5.426 2.795 1.396 1.00 0.00 N flip ATOM 1075 CD2 HIS A 71 -6.287 4.667 2.116 1.00 0.00 C flip ATOM 1076 CE1 HIS A 71 -6.555 3.103 0.677 1.00 0.00 C flip ATOM 1077 NE2 HIS A 71 -7.056 4.237 1.132 1.00 0.00 N flip ATOM 0 H HIS A 71 -3.245 3.170 6.124 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.471 4.598 4.962 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -3.748 4.956 3.231 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.401 3.238 3.193 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.446 5.573 2.682 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -6.966 2.514 -0.129 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.894 4.702 0.783 1.00 0.00 H new ATOM 1086 N SER A 72 -6.690 2.435 4.968 1.00 0.00 N ATOM 1087 CA SER A 72 -7.429 1.190 5.144 1.00 0.00 C ATOM 1088 C SER A 72 -8.085 0.758 3.836 1.00 0.00 C ATOM 1089 O SER A 72 -9.080 1.341 3.406 1.00 0.00 O ATOM 1090 CB SER A 72 -8.494 1.354 6.231 1.00 0.00 C ATOM 1091 OG SER A 72 -9.530 2.221 5.804 1.00 0.00 O ATOM 0 H SER A 72 -7.277 3.260 4.845 1.00 0.00 H new ATOM 0 HA SER A 72 -6.723 0.417 5.449 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.912 0.380 6.484 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.035 1.749 7.137 1.00 0.00 H new ATOM 0 HG SER A 72 -9.809 1.975 4.897 1.00 0.00 H new ATOM 1097 N ILE A 73 -7.519 -0.268 3.209 1.00 0.00 N ATOM 1098 CA ILE A 73 -8.047 -0.779 1.951 1.00 0.00 C ATOM 1099 C ILE A 73 -9.376 -1.497 2.164 1.00 0.00 C ATOM 1100 O ILE A 73 -9.647 -2.013 3.248 1.00 0.00 O ATOM 1101 CB ILE A 73 -7.057 -1.746 1.276 1.00 0.00 C ATOM 1102 CG1 ILE A 73 -5.663 -1.119 1.210 1.00 0.00 C ATOM 1103 CG2 ILE A 73 -7.544 -2.115 -0.118 1.00 0.00 C ATOM 1104 CD1 ILE A 73 -4.562 -2.121 0.940 1.00 0.00 C ATOM 0 H ILE A 73 -6.695 -0.761 3.552 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.201 0.082 1.301 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.998 -2.657 1.872 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.652 -0.359 0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.457 -0.610 2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.834 -2.799 -0.582 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.519 -2.597 -0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.629 -1.213 -0.724 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.602 -1.606 0.907 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.546 -2.867 1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.744 -2.612 -0.016 1.00 0.00 H new ATOM 1116 N SER A 74 -10.200 -1.527 1.122 1.00 0.00 N ATOM 1117 CA SER A 74 -11.502 -2.180 1.195 1.00 0.00 C ATOM 1118 C SER A 74 -11.836 -2.875 -0.121 1.00 0.00 C ATOM 1119 O SER A 74 -11.066 -2.816 -1.081 1.00 0.00 O ATOM 1120 CB SER A 74 -12.589 -1.160 1.537 1.00 0.00 C ATOM 1121 OG SER A 74 -12.146 -0.257 2.536 1.00 0.00 O ATOM 0 H SER A 74 -9.989 -1.107 0.217 1.00 0.00 H new ATOM 0 HA SER A 74 -11.460 -2.933 1.982 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.868 -0.607 0.640 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.483 -1.679 1.882 1.00 0.00 H new ATOM 0 HG SER A 74 -12.859 0.386 2.735 1.00 0.00 H new ATOM 1127 N HIS A 75 -12.990 -3.533 -0.159 1.00 0.00 N ATOM 1128 CA HIS A 75 -13.428 -4.240 -1.358 1.00 0.00 C ATOM 1129 C HIS A 75 -12.442 -5.343 -1.729 1.00 0.00 C ATOM 1130 O HIS A 75 -12.040 -5.467 -2.887 1.00 0.00 O ATOM 1131 CB HIS A 75 -13.581 -3.262 -2.524 1.00 0.00 C ATOM 1132 CG HIS A 75 -14.593 -2.186 -2.275 1.00 0.00 C ATOM 1133 ND1 HIS A 75 -14.914 -1.518 -1.143 1.00 0.00 N flip ATOM 1134 CD2 HIS A 75 -15.415 -1.684 -3.262 1.00 0.00 C flip ATOM 1135 CE1 HIS A 75 -15.913 -0.631 -1.463 1.00 0.00 C flip ATOM 1136 NE2 HIS A 75 -16.196 -0.751 -2.747 1.00 0.00 N flip ATOM 0 H HIS A 75 -13.639 -3.592 0.626 1.00 0.00 H new ATOM 0 HA HIS A 75 -14.395 -4.698 -1.148 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -12.615 -2.800 -2.729 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -13.865 -3.817 -3.418 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -15.420 -2.003 -4.294 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -16.389 0.053 -0.776 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -16.899 -0.214 -3.255 1.00 0.00 H new ATOM 1145 N LEU A 76 -12.056 -6.142 -0.740 1.00 0.00 N ATOM 1146 CA LEU A 76 -11.116 -7.235 -0.963 1.00 0.00 C ATOM 1147 C LEU A 76 -11.781 -8.585 -0.711 1.00 0.00 C ATOM 1148 O LEU A 76 -12.926 -8.649 -0.264 1.00 0.00 O ATOM 1149 CB LEU A 76 -9.896 -7.078 -0.053 1.00 0.00 C ATOM 1150 CG LEU A 76 -9.212 -5.711 -0.079 1.00 0.00 C ATOM 1151 CD1 LEU A 76 -8.479 -5.455 1.229 1.00 0.00 C ATOM 1152 CD2 LEU A 76 -8.252 -5.617 -1.257 1.00 0.00 C ATOM 0 H LEU A 76 -12.379 -6.054 0.223 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.794 -7.198 -2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.202 -7.290 0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.162 -7.835 -0.329 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.979 -4.945 -0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.998 -4.477 1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.190 -5.479 2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.723 -6.225 1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.774 -4.637 -1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.491 -6.392 -1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.803 -5.754 -2.187 1.00 0.00 H new ATOM 1164 N GLN A 77 -11.055 -9.659 -1.000 1.00 0.00 N ATOM 1165 CA GLN A 77 -11.575 -11.008 -0.804 1.00 0.00 C ATOM 1166 C GLN A 77 -11.292 -11.499 0.612 1.00 0.00 C ATOM 1167 O GLN A 77 -10.236 -11.237 1.187 1.00 0.00 O ATOM 1168 CB GLN A 77 -10.959 -11.968 -1.822 1.00 0.00 C ATOM 1169 CG GLN A 77 -11.243 -11.588 -3.267 1.00 0.00 C ATOM 1170 CD GLN A 77 -10.206 -12.132 -4.229 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -9.766 -13.275 -4.104 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -9.808 -11.313 -5.196 1.00 0.00 N ATOM 0 H GLN A 77 -10.105 -9.622 -1.371 1.00 0.00 H new ATOM 0 HA GLN A 77 -12.655 -10.979 -0.950 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.880 -12.003 -1.670 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -11.339 -12.973 -1.638 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -12.227 -11.962 -3.550 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.278 -10.502 -3.353 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.200 -10.373 -5.262 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -9.111 -11.624 -5.873 1.00 0.00 H new ATOM 1181 N PRO A 78 -12.258 -12.229 1.189 1.00 0.00 N ATOM 1182 CA PRO A 78 -12.136 -12.773 2.545 1.00 0.00 C ATOM 1183 C PRO A 78 -11.103 -13.892 2.630 1.00 0.00 C ATOM 1184 O PRO A 78 -10.881 -14.618 1.662 1.00 0.00 O ATOM 1185 CB PRO A 78 -13.537 -13.315 2.837 1.00 0.00 C ATOM 1186 CG PRO A 78 -14.116 -13.610 1.497 1.00 0.00 C ATOM 1187 CD PRO A 78 -13.543 -12.581 0.563 1.00 0.00 C ATOM 0 HA PRO A 78 -11.798 -12.020 3.257 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -13.494 -14.211 3.456 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -14.140 -12.584 3.376 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.857 -14.618 1.173 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -15.204 -13.553 1.521 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.404 -12.983 -0.441 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -14.196 -11.713 0.472 1.00 0.00 H new ATOM 1195 N GLU A 79 -10.476 -14.025 3.795 1.00 0.00 N ATOM 1196 CA GLU A 79 -9.466 -15.056 4.004 1.00 0.00 C ATOM 1197 C GLU A 79 -8.667 -15.303 2.728 1.00 0.00 C ATOM 1198 O GLU A 79 -8.307 -16.438 2.416 1.00 0.00 O ATOM 1199 CB GLU A 79 -10.124 -16.358 4.467 1.00 0.00 C ATOM 1200 CG GLU A 79 -11.521 -16.566 3.908 1.00 0.00 C ATOM 1201 CD GLU A 79 -12.028 -17.980 4.116 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -11.288 -18.931 3.786 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -13.164 -18.136 4.610 1.00 0.00 O ATOM 0 H GLU A 79 -10.649 -13.433 4.607 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.782 -14.707 4.778 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -9.495 -17.198 4.172 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.173 -16.363 5.556 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.207 -15.865 4.383 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.520 -16.338 2.842 1.00 0.00 H new ATOM 1210 N THR A 80 -8.394 -14.230 1.991 1.00 0.00 N ATOM 1211 CA THR A 80 -7.639 -14.329 0.748 1.00 0.00 C ATOM 1212 C THR A 80 -6.237 -13.753 0.909 1.00 0.00 C ATOM 1213 O THR A 80 -6.051 -12.537 0.901 1.00 0.00 O ATOM 1214 CB THR A 80 -8.354 -13.596 -0.403 1.00 0.00 C ATOM 1215 OG1 THR A 80 -9.631 -14.196 -0.647 1.00 0.00 O ATOM 1216 CG2 THR A 80 -7.518 -13.636 -1.672 1.00 0.00 C ATOM 0 H THR A 80 -8.685 -13.283 2.234 1.00 0.00 H new ATOM 0 HA THR A 80 -7.567 -15.389 0.505 1.00 0.00 H new ATOM 0 HB THR A 80 -8.492 -12.555 -0.111 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.968 -14.596 0.182 1.00 0.00 H new ATOM 0 HG21 THR A 80 -8.043 -13.112 -2.471 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.558 -13.152 -1.491 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.352 -14.672 -1.966 1.00 0.00 H new ATOM 1224 N SER A 81 -5.253 -14.635 1.053 1.00 0.00 N ATOM 1225 CA SER A 81 -3.867 -14.214 1.218 1.00 0.00 C ATOM 1226 C SER A 81 -3.296 -13.696 -0.098 1.00 0.00 C ATOM 1227 O SER A 81 -2.982 -14.473 -1.000 1.00 0.00 O ATOM 1228 CB SER A 81 -3.016 -15.377 1.734 1.00 0.00 C ATOM 1229 OG SER A 81 -1.912 -14.906 2.486 1.00 0.00 O ATOM 0 H SER A 81 -5.390 -15.646 1.059 1.00 0.00 H new ATOM 0 HA SER A 81 -3.844 -13.404 1.948 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.628 -16.033 2.353 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.660 -15.972 0.893 1.00 0.00 H new ATOM 0 HG SER A 81 -1.385 -15.668 2.806 1.00 0.00 H new ATOM 1235 N TYR A 82 -3.165 -12.378 -0.201 1.00 0.00 N ATOM 1236 CA TYR A 82 -2.634 -11.754 -1.407 1.00 0.00 C ATOM 1237 C TYR A 82 -1.515 -10.775 -1.067 1.00 0.00 C ATOM 1238 O TYR A 82 -1.422 -10.288 0.060 1.00 0.00 O ATOM 1239 CB TYR A 82 -3.748 -11.029 -2.164 1.00 0.00 C ATOM 1240 CG TYR A 82 -4.593 -10.134 -1.286 1.00 0.00 C ATOM 1241 CD1 TYR A 82 -4.104 -8.916 -0.828 1.00 0.00 C ATOM 1242 CD2 TYR A 82 -5.879 -10.505 -0.915 1.00 0.00 C ATOM 1243 CE1 TYR A 82 -4.872 -8.095 -0.026 1.00 0.00 C ATOM 1244 CE2 TYR A 82 -6.655 -9.689 -0.114 1.00 0.00 C ATOM 1245 CZ TYR A 82 -6.147 -8.485 0.328 1.00 0.00 C ATOM 1246 OH TYR A 82 -6.916 -7.671 1.127 1.00 0.00 O ATOM 0 H TYR A 82 -3.419 -11.721 0.537 1.00 0.00 H new ATOM 0 HA TYR A 82 -2.224 -12.540 -2.041 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.305 -10.430 -2.960 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.392 -11.768 -2.642 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.107 -8.607 -1.104 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.279 -11.447 -1.258 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.476 -7.152 0.322 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.654 -9.992 0.164 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.823 -8.037 1.191 1.00 0.00 H new ATOM 1256 N ASP A 83 -0.668 -10.490 -2.049 1.00 0.00 N ATOM 1257 CA ASP A 83 0.445 -9.568 -1.857 1.00 0.00 C ATOM 1258 C ASP A 83 -0.046 -8.124 -1.822 1.00 0.00 C ATOM 1259 O ASP A 83 -1.078 -7.795 -2.407 1.00 0.00 O ATOM 1260 CB ASP A 83 1.479 -9.742 -2.971 1.00 0.00 C ATOM 1261 CG ASP A 83 0.908 -9.440 -4.342 1.00 0.00 C ATOM 1262 OD1 ASP A 83 -0.115 -8.728 -4.415 1.00 0.00 O ATOM 1263 OD2 ASP A 83 1.484 -9.916 -5.343 1.00 0.00 O ATOM 0 H ASP A 83 -0.731 -10.885 -2.987 1.00 0.00 H new ATOM 0 HA ASP A 83 0.913 -9.797 -0.900 1.00 0.00 H new ATOM 0 HB2 ASP A 83 2.328 -9.085 -2.781 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.858 -10.764 -2.955 1.00 0.00 H new ATOM 1268 N ILE A 84 0.700 -7.267 -1.133 1.00 0.00 N ATOM 1269 CA ILE A 84 0.341 -5.859 -1.023 1.00 0.00 C ATOM 1270 C ILE A 84 1.583 -4.975 -0.993 1.00 0.00 C ATOM 1271 O ILE A 84 2.542 -5.256 -0.273 1.00 0.00 O ATOM 1272 CB ILE A 84 -0.498 -5.589 0.241 1.00 0.00 C ATOM 1273 CG1 ILE A 84 -1.780 -6.424 0.216 1.00 0.00 C ATOM 1274 CG2 ILE A 84 -0.826 -4.108 0.353 1.00 0.00 C ATOM 1275 CD1 ILE A 84 -2.421 -6.588 1.576 1.00 0.00 C ATOM 0 H ILE A 84 1.557 -7.523 -0.643 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.254 -5.616 -1.903 1.00 0.00 H new ATOM 0 HB ILE A 84 0.085 -5.879 1.115 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.496 -5.956 -0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.554 -7.409 -0.191 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.419 -3.934 1.251 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.099 -3.534 0.412 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.393 -3.794 -0.523 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.324 -7.191 1.482 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.723 -7.084 2.250 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.679 -5.608 1.977 1.00 0.00 H new ATOM 1287 N LYS A 85 1.559 -3.903 -1.778 1.00 0.00 N ATOM 1288 CA LYS A 85 2.681 -2.975 -1.840 1.00 0.00 C ATOM 1289 C LYS A 85 2.195 -1.550 -2.089 1.00 0.00 C ATOM 1290 O LYS A 85 1.056 -1.336 -2.501 1.00 0.00 O ATOM 1291 CB LYS A 85 3.655 -3.393 -2.943 1.00 0.00 C ATOM 1292 CG LYS A 85 3.327 -2.798 -4.302 1.00 0.00 C ATOM 1293 CD LYS A 85 4.333 -3.228 -5.357 1.00 0.00 C ATOM 1294 CE LYS A 85 3.911 -4.524 -6.034 1.00 0.00 C ATOM 1295 NZ LYS A 85 5.031 -5.141 -6.796 1.00 0.00 N ATOM 0 H LYS A 85 0.774 -3.656 -2.380 1.00 0.00 H new ATOM 0 HA LYS A 85 3.196 -3.002 -0.880 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.664 -3.093 -2.658 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.656 -4.480 -3.022 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.327 -3.108 -4.604 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.316 -1.710 -4.231 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.436 -2.442 -6.105 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.312 -3.359 -4.896 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.553 -5.227 -5.282 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.078 -4.327 -6.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.704 -6.021 -7.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.356 -4.481 -7.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.817 -5.353 -6.148 1.00 0.00 H new ATOM 1309 N MET A 86 3.068 -0.580 -1.838 1.00 0.00 N ATOM 1310 CA MET A 86 2.728 0.824 -2.038 1.00 0.00 C ATOM 1311 C MET A 86 3.986 1.668 -2.218 1.00 0.00 C ATOM 1312 O MET A 86 5.075 1.269 -1.807 1.00 0.00 O ATOM 1313 CB MET A 86 1.913 1.347 -0.854 1.00 0.00 C ATOM 1314 CG MET A 86 2.715 1.460 0.433 1.00 0.00 C ATOM 1315 SD MET A 86 3.525 3.062 0.608 1.00 0.00 S ATOM 1316 CE MET A 86 2.120 4.166 0.484 1.00 0.00 C ATOM 0 H MET A 86 4.015 -0.740 -1.496 1.00 0.00 H new ATOM 0 HA MET A 86 2.128 0.901 -2.945 1.00 0.00 H new ATOM 0 HB2 MET A 86 1.507 2.327 -1.107 1.00 0.00 H new ATOM 0 HB3 MET A 86 1.064 0.684 -0.687 1.00 0.00 H new ATOM 0 HG2 MET A 86 2.054 1.297 1.284 1.00 0.00 H new ATOM 0 HG3 MET A 86 3.468 0.672 0.458 1.00 0.00 H new ATOM 0 HE1 MET A 86 2.326 5.081 1.039 1.00 0.00 H new ATOM 0 HE2 MET A 86 1.940 4.409 -0.563 1.00 0.00 H new ATOM 0 HE3 MET A 86 1.238 3.680 0.901 1.00 0.00 H new ATOM 1326 N GLN A 87 3.827 2.835 -2.834 1.00 0.00 N ATOM 1327 CA GLN A 87 4.952 3.733 -3.068 1.00 0.00 C ATOM 1328 C GLN A 87 4.506 5.191 -3.006 1.00 0.00 C ATOM 1329 O GLN A 87 3.315 5.481 -2.880 1.00 0.00 O ATOM 1330 CB GLN A 87 5.591 3.442 -4.427 1.00 0.00 C ATOM 1331 CG GLN A 87 4.650 3.658 -5.601 1.00 0.00 C ATOM 1332 CD GLN A 87 4.614 5.101 -6.062 1.00 0.00 C ATOM 1333 OE1 GLN A 87 5.563 5.857 -5.849 1.00 0.00 O ATOM 1334 NE2 GLN A 87 3.517 5.493 -6.699 1.00 0.00 N ATOM 0 H GLN A 87 2.932 3.180 -3.180 1.00 0.00 H new ATOM 0 HA GLN A 87 5.689 3.562 -2.284 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.466 4.080 -4.552 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.944 2.411 -4.440 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.959 3.023 -6.431 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.645 3.346 -5.318 1.00 0.00 H new ATOM 0 HE21 GLN A 87 2.754 4.834 -6.854 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.437 6.453 -7.033 1.00 0.00 H new ATOM 1343 N CYS A 88 5.468 6.103 -3.093 1.00 0.00 N ATOM 1344 CA CYS A 88 5.174 7.531 -3.045 1.00 0.00 C ATOM 1345 C CYS A 88 5.552 8.208 -4.358 1.00 0.00 C ATOM 1346 O CYS A 88 6.554 7.860 -4.983 1.00 0.00 O ATOM 1347 CB CYS A 88 5.923 8.187 -1.885 1.00 0.00 C ATOM 1348 SG CYS A 88 7.670 8.508 -2.221 1.00 0.00 S ATOM 0 H CYS A 88 6.458 5.879 -3.197 1.00 0.00 H new ATOM 0 HA CYS A 88 4.102 7.652 -2.891 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.433 9.128 -1.636 1.00 0.00 H new ATOM 0 HB3 CYS A 88 5.845 7.546 -1.007 1.00 0.00 H new ATOM 0 HG CYS A 88 8.128 7.606 -3.038 1.00 0.00 H new ATOM 1354 N PHE A 89 4.742 9.176 -4.773 1.00 0.00 N ATOM 1355 CA PHE A 89 4.989 9.901 -6.014 1.00 0.00 C ATOM 1356 C PHE A 89 4.890 11.407 -5.793 1.00 0.00 C ATOM 1357 O PHE A 89 4.253 11.866 -4.846 1.00 0.00 O ATOM 1358 CB PHE A 89 3.994 9.465 -7.091 1.00 0.00 C ATOM 1359 CG PHE A 89 2.624 10.053 -6.915 1.00 0.00 C ATOM 1360 CD1 PHE A 89 1.803 9.634 -5.880 1.00 0.00 C ATOM 1361 CD2 PHE A 89 2.156 11.026 -7.784 1.00 0.00 C ATOM 1362 CE1 PHE A 89 0.542 10.174 -5.715 1.00 0.00 C ATOM 1363 CE2 PHE A 89 0.895 11.569 -7.624 1.00 0.00 C ATOM 1364 CZ PHE A 89 0.087 11.142 -6.588 1.00 0.00 C ATOM 0 H PHE A 89 3.908 9.477 -4.268 1.00 0.00 H new ATOM 0 HA PHE A 89 6.000 9.667 -6.347 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.381 9.752 -8.069 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.917 8.378 -7.085 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.153 8.876 -5.194 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.784 11.364 -8.595 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.087 9.839 -4.904 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.542 12.326 -8.308 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.899 11.565 -6.461 1.00 0.00 H new ATOM 1374 N ASN A 90 5.524 12.172 -6.676 1.00 0.00 N ATOM 1375 CA ASN A 90 5.509 13.627 -6.578 1.00 0.00 C ATOM 1376 C ASN A 90 5.495 14.266 -7.963 1.00 0.00 C ATOM 1377 O ASN A 90 5.542 13.571 -8.978 1.00 0.00 O ATOM 1378 CB ASN A 90 6.724 14.119 -5.789 1.00 0.00 C ATOM 1379 CG ASN A 90 7.935 14.342 -6.674 1.00 0.00 C ATOM 1380 OD1 ASN A 90 8.101 13.678 -7.697 1.00 0.00 O ATOM 1381 ND2 ASN A 90 8.790 15.280 -6.282 1.00 0.00 N ATOM 0 H ASN A 90 6.055 11.808 -7.468 1.00 0.00 H new ATOM 0 HA ASN A 90 4.600 13.921 -6.053 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.472 15.050 -5.281 1.00 0.00 H new ATOM 0 HB3 ASN A 90 6.971 13.391 -5.016 1.00 0.00 H new ATOM 0 HD21 ASN A 90 9.624 15.474 -6.836 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.613 15.806 -5.427 1.00 0.00 H new ATOM 1388 N GLU A 91 5.430 15.593 -7.996 1.00 0.00 N ATOM 1389 CA GLU A 91 5.410 16.325 -9.257 1.00 0.00 C ATOM 1390 C GLU A 91 6.414 15.736 -10.244 1.00 0.00 C ATOM 1391 O GLU A 91 6.177 15.718 -11.451 1.00 0.00 O ATOM 1392 CB GLU A 91 5.720 17.804 -9.019 1.00 0.00 C ATOM 1393 CG GLU A 91 5.738 18.635 -10.291 1.00 0.00 C ATOM 1394 CD GLU A 91 5.672 20.125 -10.017 1.00 0.00 C ATOM 1395 OE1 GLU A 91 4.663 20.577 -9.437 1.00 0.00 O ATOM 1396 OE2 GLU A 91 6.631 20.837 -10.381 1.00 0.00 O ATOM 0 H GLU A 91 5.390 16.183 -7.165 1.00 0.00 H new ATOM 0 HA GLU A 91 4.411 16.235 -9.684 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.978 18.217 -8.336 1.00 0.00 H new ATOM 0 HB3 GLU A 91 6.688 17.889 -8.526 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.645 18.413 -10.853 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.895 18.348 -10.920 1.00 0.00 H new ATOM 1403 N GLY A 92 7.538 15.256 -9.720 1.00 0.00 N ATOM 1404 CA GLY A 92 8.562 14.674 -10.568 1.00 0.00 C ATOM 1405 C GLY A 92 8.159 13.320 -11.118 1.00 0.00 C ATOM 1406 O GLY A 92 8.254 13.077 -12.320 1.00 0.00 O ATOM 0 H GLY A 92 7.758 15.260 -8.724 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.772 15.351 -11.396 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.486 14.571 -9.999 1.00 0.00 H new ATOM 1410 N GLY A 93 7.709 12.434 -10.234 1.00 0.00 N ATOM 1411 CA GLY A 93 7.299 11.108 -10.656 1.00 0.00 C ATOM 1412 C GLY A 93 7.181 10.140 -9.495 1.00 0.00 C ATOM 1413 O GLY A 93 7.535 10.472 -8.365 1.00 0.00 O ATOM 0 H GLY A 93 7.621 12.611 -9.233 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.339 11.174 -11.169 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.019 10.720 -11.376 1.00 0.00 H new ATOM 1417 N GLU A 94 6.681 8.941 -9.775 1.00 0.00 N ATOM 1418 CA GLU A 94 6.516 7.923 -8.743 1.00 0.00 C ATOM 1419 C GLU A 94 7.870 7.463 -8.211 1.00 0.00 C ATOM 1420 O GLU A 94 8.917 7.905 -8.683 1.00 0.00 O ATOM 1421 CB GLU A 94 5.739 6.727 -9.296 1.00 0.00 C ATOM 1422 CG GLU A 94 4.418 7.105 -9.945 1.00 0.00 C ATOM 1423 CD GLU A 94 3.999 6.130 -11.027 1.00 0.00 C ATOM 1424 OE1 GLU A 94 4.860 5.745 -11.846 1.00 0.00 O ATOM 1425 OE2 GLU A 94 2.809 5.751 -11.055 1.00 0.00 O ATOM 0 H GLU A 94 6.383 8.650 -10.706 1.00 0.00 H new ATOM 0 HA GLU A 94 5.953 8.364 -7.920 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.359 6.209 -10.028 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.548 6.023 -8.486 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.642 7.149 -9.181 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.501 8.104 -10.374 1.00 0.00 H new ATOM 1432 N SER A 95 7.840 6.572 -7.225 1.00 0.00 N ATOM 1433 CA SER A 95 9.064 6.054 -6.625 1.00 0.00 C ATOM 1434 C SER A 95 9.032 4.531 -6.556 1.00 0.00 C ATOM 1435 O SER A 95 8.006 3.908 -6.826 1.00 0.00 O ATOM 1436 CB SER A 95 9.255 6.636 -5.223 1.00 0.00 C ATOM 1437 OG SER A 95 8.324 6.082 -4.309 1.00 0.00 O ATOM 0 H SER A 95 6.981 6.194 -6.825 1.00 0.00 H new ATOM 0 HA SER A 95 9.903 6.354 -7.253 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.270 6.437 -4.879 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.136 7.719 -5.256 1.00 0.00 H new ATOM 0 HG SER A 95 7.414 6.321 -4.584 1.00 0.00 H new ATOM 1443 N GLU A 96 10.165 3.938 -6.191 1.00 0.00 N ATOM 1444 CA GLU A 96 10.268 2.487 -6.087 1.00 0.00 C ATOM 1445 C GLU A 96 9.054 1.906 -5.367 1.00 0.00 C ATOM 1446 O GLU A 96 8.359 2.608 -4.633 1.00 0.00 O ATOM 1447 CB GLU A 96 11.549 2.096 -5.348 1.00 0.00 C ATOM 1448 CG GLU A 96 12.818 2.568 -6.037 1.00 0.00 C ATOM 1449 CD GLU A 96 13.058 1.867 -7.361 1.00 0.00 C ATOM 1450 OE1 GLU A 96 13.616 0.751 -7.348 1.00 0.00 O ATOM 1451 OE2 GLU A 96 12.687 2.437 -8.408 1.00 0.00 O ATOM 0 H GLU A 96 11.023 4.440 -5.963 1.00 0.00 H new ATOM 0 HA GLU A 96 10.301 2.077 -7.096 1.00 0.00 H new ATOM 0 HB2 GLU A 96 11.518 2.510 -4.340 1.00 0.00 H new ATOM 0 HB3 GLU A 96 11.583 1.011 -5.246 1.00 0.00 H new ATOM 0 HG2 GLU A 96 12.757 3.643 -6.205 1.00 0.00 H new ATOM 0 HG3 GLU A 96 13.670 2.396 -5.379 1.00 0.00 H new ATOM 1458 N PHE A 97 8.806 0.618 -5.583 1.00 0.00 N ATOM 1459 CA PHE A 97 7.676 -0.058 -4.957 1.00 0.00 C ATOM 1460 C PHE A 97 8.076 -0.648 -3.608 1.00 0.00 C ATOM 1461 O PHE A 97 8.978 -1.482 -3.525 1.00 0.00 O ATOM 1462 CB PHE A 97 7.144 -1.163 -5.872 1.00 0.00 C ATOM 1463 CG PHE A 97 6.412 -0.643 -7.076 1.00 0.00 C ATOM 1464 CD1 PHE A 97 5.084 -0.260 -6.984 1.00 0.00 C ATOM 1465 CD2 PHE A 97 7.052 -0.536 -8.300 1.00 0.00 C ATOM 1466 CE1 PHE A 97 4.408 0.218 -8.090 1.00 0.00 C ATOM 1467 CE2 PHE A 97 6.381 -0.059 -9.411 1.00 0.00 C ATOM 1468 CZ PHE A 97 5.058 0.320 -9.305 1.00 0.00 C ATOM 0 H PHE A 97 9.372 0.022 -6.187 1.00 0.00 H new ATOM 0 HA PHE A 97 6.889 0.678 -4.794 1.00 0.00 H new ATOM 0 HB2 PHE A 97 7.978 -1.782 -6.203 1.00 0.00 H new ATOM 0 HB3 PHE A 97 6.476 -1.807 -5.300 1.00 0.00 H new ATOM 0 HD1 PHE A 97 4.571 -0.336 -6.037 1.00 0.00 H new ATOM 0 HD2 PHE A 97 8.088 -0.829 -8.388 1.00 0.00 H new ATOM 0 HE1 PHE A 97 3.372 0.512 -8.005 1.00 0.00 H new ATOM 0 HE2 PHE A 97 6.891 0.017 -10.360 1.00 0.00 H new ATOM 0 HZ PHE A 97 4.532 0.696 -10.170 1.00 0.00 H new ATOM 1478 N SER A 98 7.397 -0.209 -2.552 1.00 0.00 N ATOM 1479 CA SER A 98 7.683 -0.690 -1.206 1.00 0.00 C ATOM 1480 C SER A 98 7.808 -2.211 -1.187 1.00 0.00 C ATOM 1481 O SER A 98 7.528 -2.880 -2.181 1.00 0.00 O ATOM 1482 CB SER A 98 6.585 -0.245 -0.238 1.00 0.00 C ATOM 1483 OG SER A 98 6.772 -0.817 1.044 1.00 0.00 O ATOM 0 H SER A 98 6.645 0.479 -2.603 1.00 0.00 H new ATOM 0 HA SER A 98 8.633 -0.261 -0.888 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.585 0.842 -0.158 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.610 -0.535 -0.630 1.00 0.00 H new ATOM 0 HG SER A 98 6.274 -1.659 1.102 1.00 0.00 H new ATOM 1489 N ASN A 99 8.231 -2.749 -0.048 1.00 0.00 N ATOM 1490 CA ASN A 99 8.394 -4.191 0.102 1.00 0.00 C ATOM 1491 C ASN A 99 7.048 -4.903 0.012 1.00 0.00 C ATOM 1492 O ASN A 99 6.011 -4.340 0.365 1.00 0.00 O ATOM 1493 CB ASN A 99 9.067 -4.513 1.438 1.00 0.00 C ATOM 1494 CG ASN A 99 8.063 -4.711 2.557 1.00 0.00 C ATOM 1495 OD1 ASN A 99 7.144 -3.764 2.703 1.00 0.00 O flip ATOM 1496 ND2 ASN A 99 8.113 -5.706 3.282 1.00 0.00 N flip ATOM 0 H ASN A 99 8.467 -2.209 0.784 1.00 0.00 H new ATOM 0 HA ASN A 99 9.027 -4.547 -0.711 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.670 -5.415 1.330 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.748 -3.704 1.703 1.00 0.00 H new ATOM 0 HD21 ASN A 99 8.837 -6.409 3.134 1.00 0.00 H new ATOM 0 HD22 ASN A 99 7.431 -5.827 4.030 1.00 0.00 H new ATOM 1503 N VAL A 100 7.072 -6.145 -0.461 1.00 0.00 N ATOM 1504 CA VAL A 100 5.854 -6.935 -0.595 1.00 0.00 C ATOM 1505 C VAL A 100 5.409 -7.492 0.753 1.00 0.00 C ATOM 1506 O VAL A 100 6.098 -8.316 1.354 1.00 0.00 O ATOM 1507 CB VAL A 100 6.048 -8.102 -1.581 1.00 0.00 C ATOM 1508 CG1 VAL A 100 4.761 -8.899 -1.726 1.00 0.00 C ATOM 1509 CG2 VAL A 100 6.518 -7.584 -2.932 1.00 0.00 C ATOM 0 H VAL A 100 7.921 -6.626 -0.758 1.00 0.00 H new ATOM 0 HA VAL A 100 5.084 -6.267 -0.981 1.00 0.00 H new ATOM 0 HB VAL A 100 6.816 -8.766 -1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.918 -9.719 -2.427 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.471 -9.301 -0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.970 -8.249 -2.100 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.650 -8.422 -3.617 1.00 0.00 H new ATOM 0 HG22 VAL A 100 5.774 -6.898 -3.337 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.467 -7.061 -2.811 1.00 0.00 H new ATOM 1519 N MET A 101 4.252 -7.037 1.222 1.00 0.00 N ATOM 1520 CA MET A 101 3.713 -7.491 2.498 1.00 0.00 C ATOM 1521 C MET A 101 2.488 -8.376 2.288 1.00 0.00 C ATOM 1522 O MET A 101 1.496 -7.948 1.698 1.00 0.00 O ATOM 1523 CB MET A 101 3.347 -6.294 3.377 1.00 0.00 C ATOM 1524 CG MET A 101 4.524 -5.382 3.683 1.00 0.00 C ATOM 1525 SD MET A 101 5.742 -6.159 4.762 1.00 0.00 S ATOM 1526 CE MET A 101 5.115 -5.692 6.373 1.00 0.00 C ATOM 0 H MET A 101 3.670 -6.354 0.737 1.00 0.00 H new ATOM 0 HA MET A 101 4.482 -8.079 2.999 1.00 0.00 H new ATOM 0 HB2 MET A 101 2.568 -5.714 2.881 1.00 0.00 H new ATOM 0 HB3 MET A 101 2.926 -6.657 4.315 1.00 0.00 H new ATOM 0 HG2 MET A 101 5.005 -5.090 2.749 1.00 0.00 H new ATOM 0 HG3 MET A 101 4.159 -4.469 4.152 1.00 0.00 H new ATOM 0 HE1 MET A 101 5.831 -5.034 6.866 1.00 0.00 H new ATOM 0 HE2 MET A 101 4.165 -5.171 6.257 1.00 0.00 H new ATOM 0 HE3 MET A 101 4.967 -6.586 6.979 1.00 0.00 H new ATOM 1536 N ILE A 102 2.565 -9.611 2.773 1.00 0.00 N ATOM 1537 CA ILE A 102 1.462 -10.554 2.638 1.00 0.00 C ATOM 1538 C ILE A 102 0.508 -10.457 3.824 1.00 0.00 C ATOM 1539 O ILE A 102 0.770 -11.013 4.892 1.00 0.00 O ATOM 1540 CB ILE A 102 1.972 -12.003 2.521 1.00 0.00 C ATOM 1541 CG1 ILE A 102 2.786 -12.177 1.238 1.00 0.00 C ATOM 1542 CG2 ILE A 102 0.805 -12.978 2.552 1.00 0.00 C ATOM 1543 CD1 ILE A 102 3.538 -13.489 1.173 1.00 0.00 C ATOM 0 H ILE A 102 3.379 -9.981 3.263 1.00 0.00 H new ATOM 0 HA ILE A 102 0.930 -10.289 1.724 1.00 0.00 H new ATOM 0 HB ILE A 102 2.620 -12.216 3.371 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.117 -12.108 0.380 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.497 -11.355 1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.181 -13.998 2.468 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.263 -12.867 3.491 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.134 -12.769 1.719 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.093 -13.544 0.237 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.233 -13.552 2.011 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.831 -14.317 1.225 1.00 0.00 H new ATOM 1555 N CYS A 103 -0.599 -9.750 3.628 1.00 0.00 N ATOM 1556 CA CYS A 103 -1.594 -9.581 4.681 1.00 0.00 C ATOM 1557 C CYS A 103 -2.855 -10.381 4.371 1.00 0.00 C ATOM 1558 O CYS A 103 -3.633 -10.015 3.490 1.00 0.00 O ATOM 1559 CB CYS A 103 -1.943 -8.101 4.849 1.00 0.00 C ATOM 1560 SG CYS A 103 -2.583 -7.675 6.486 1.00 0.00 S ATOM 0 H CYS A 103 -0.830 -9.285 2.750 1.00 0.00 H new ATOM 0 HA CYS A 103 -1.168 -9.955 5.612 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -1.052 -7.504 4.652 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -2.684 -7.826 4.098 1.00 0.00 H new ATOM 0 HG CYS A 103 -2.847 -6.403 6.531 1.00 0.00 H new ATOM 1566 N GLU A 104 -3.050 -11.475 5.101 1.00 0.00 N ATOM 1567 CA GLU A 104 -4.215 -12.328 4.901 1.00 0.00 C ATOM 1568 C GLU A 104 -5.460 -11.703 5.524 1.00 0.00 C ATOM 1569 O GLU A 104 -5.500 -11.432 6.724 1.00 0.00 O ATOM 1570 CB GLU A 104 -3.971 -13.713 5.504 1.00 0.00 C ATOM 1571 CG GLU A 104 -4.886 -14.790 4.947 1.00 0.00 C ATOM 1572 CD GLU A 104 -5.156 -15.900 5.944 1.00 0.00 C ATOM 1573 OE1 GLU A 104 -5.556 -15.589 7.085 1.00 0.00 O ATOM 1574 OE2 GLU A 104 -4.966 -17.081 5.583 1.00 0.00 O ATOM 0 H GLU A 104 -2.417 -11.791 5.835 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.378 -12.430 3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.935 -14.000 5.325 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.104 -13.658 6.584 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.832 -14.338 4.647 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.437 -15.215 4.049 1.00 0.00 H new ATOM 1581 N THR A 105 -6.477 -11.475 4.698 1.00 0.00 N ATOM 1582 CA THR A 105 -7.723 -10.881 5.165 1.00 0.00 C ATOM 1583 C THR A 105 -8.399 -11.767 6.205 1.00 0.00 C ATOM 1584 O THR A 105 -7.981 -12.901 6.436 1.00 0.00 O ATOM 1585 CB THR A 105 -8.701 -10.638 4.000 1.00 0.00 C ATOM 1586 OG1 THR A 105 -8.659 -11.740 3.088 1.00 0.00 O ATOM 1587 CG2 THR A 105 -8.358 -9.351 3.265 1.00 0.00 C ATOM 0 H THR A 105 -6.461 -11.693 3.702 1.00 0.00 H new ATOM 0 HA THR A 105 -7.466 -9.924 5.619 1.00 0.00 H new ATOM 0 HB THR A 105 -9.706 -10.546 4.411 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.424 -11.688 2.477 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.062 -9.201 2.447 1.00 0.00 H new ATOM 0 HG22 THR A 105 -8.419 -8.510 3.956 1.00 0.00 H new ATOM 0 HG23 THR A 105 -7.346 -9.419 2.865 1.00 0.00 H new ATOM 1595 N LYS A 106 -9.447 -11.242 6.831 1.00 0.00 N ATOM 1596 CA LYS A 106 -10.184 -11.986 7.846 1.00 0.00 C ATOM 1597 C LYS A 106 -11.108 -13.015 7.203 1.00 0.00 C ATOM 1598 O LYS A 106 -11.500 -12.873 6.045 1.00 0.00 O ATOM 1599 CB LYS A 106 -10.998 -11.028 8.719 1.00 0.00 C ATOM 1600 CG LYS A 106 -10.152 -9.990 9.436 1.00 0.00 C ATOM 1601 CD LYS A 106 -9.731 -10.471 10.815 1.00 0.00 C ATOM 1602 CE LYS A 106 -8.698 -9.544 11.436 1.00 0.00 C ATOM 1603 NZ LYS A 106 -9.334 -8.403 12.152 1.00 0.00 N ATOM 0 H LYS A 106 -9.805 -10.304 6.653 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.462 -12.513 8.470 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.733 -10.518 8.096 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.553 -11.606 9.458 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.266 -9.767 8.841 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.715 -9.062 9.530 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.605 -10.530 11.464 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.320 -11.478 10.741 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -8.076 -10.108 12.131 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -8.039 -9.161 10.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -8.908 -7.510 11.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -10.354 -8.392 11.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -9.184 -8.509 13.176 1.00 0.00 H new ATOM 1617 N ALA A 107 -11.453 -14.050 7.962 1.00 0.00 N ATOM 1618 CA ALA A 107 -12.334 -15.100 7.467 1.00 0.00 C ATOM 1619 C ALA A 107 -13.796 -14.677 7.555 1.00 0.00 C ATOM 1620 O ALA A 107 -14.282 -14.307 8.624 1.00 0.00 O ATOM 1621 CB ALA A 107 -12.108 -16.389 8.244 1.00 0.00 C ATOM 0 H ALA A 107 -11.136 -14.184 8.922 1.00 0.00 H new ATOM 0 HA ALA A 107 -12.096 -15.275 6.418 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -12.773 -17.165 7.864 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.073 -16.708 8.126 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.317 -16.218 9.300 1.00 0.00 H new ATOM 1627 N ARG A 108 -14.493 -14.733 6.424 1.00 0.00 N ATOM 1628 CA ARG A 108 -15.899 -14.354 6.374 1.00 0.00 C ATOM 1629 C ARG A 108 -16.765 -15.376 7.105 1.00 0.00 C ATOM 1630 O ARG A 108 -16.560 -16.583 6.977 1.00 0.00 O ATOM 1631 CB ARG A 108 -16.362 -14.223 4.921 1.00 0.00 C ATOM 1632 CG ARG A 108 -16.144 -15.482 4.097 1.00 0.00 C ATOM 1633 CD ARG A 108 -17.208 -15.635 3.022 1.00 0.00 C ATOM 1634 NE ARG A 108 -17.393 -14.405 2.255 1.00 0.00 N ATOM 1635 CZ ARG A 108 -17.945 -14.368 1.048 1.00 0.00 C ATOM 1636 NH1 ARG A 108 -18.365 -15.486 0.473 1.00 0.00 N ATOM 1637 NH2 ARG A 108 -18.078 -13.210 0.413 1.00 0.00 N ATOM 0 H ARG A 108 -14.106 -15.037 5.531 1.00 0.00 H new ATOM 0 HA ARG A 108 -16.007 -13.390 6.872 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -17.422 -13.969 4.908 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -15.830 -13.395 4.452 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -15.158 -15.448 3.633 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -16.158 -16.354 4.751 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -16.928 -16.444 2.347 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -18.153 -15.919 3.485 1.00 0.00 H new ATOM 0 HE ARG A 108 -17.081 -13.527 2.670 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -18.265 -16.378 0.958 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -18.789 -15.455 -0.454 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -17.756 -12.348 0.852 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -18.502 -13.183 -0.514 1.00 0.00 H new ATOM 1651 N SER A 109 -17.732 -14.883 7.872 1.00 0.00 N ATOM 1652 CA SER A 109 -18.626 -15.753 8.627 1.00 0.00 C ATOM 1653 C SER A 109 -19.988 -15.854 7.948 1.00 0.00 C ATOM 1654 O SER A 109 -20.566 -14.849 7.537 1.00 0.00 O ATOM 1655 CB SER A 109 -18.794 -15.231 10.056 1.00 0.00 C ATOM 1656 OG SER A 109 -19.694 -16.040 10.792 1.00 0.00 O ATOM 0 H SER A 109 -17.916 -13.886 7.987 1.00 0.00 H new ATOM 0 HA SER A 109 -18.181 -16.748 8.660 1.00 0.00 H new ATOM 0 HB2 SER A 109 -17.825 -15.212 10.556 1.00 0.00 H new ATOM 0 HB3 SER A 109 -19.160 -14.205 10.031 1.00 0.00 H new ATOM 0 HG SER A 109 -19.783 -15.686 11.702 1.00 0.00 H new ATOM 1662 N GLY A 110 -20.496 -17.078 7.833 1.00 0.00 N ATOM 1663 CA GLY A 110 -21.786 -17.289 7.202 1.00 0.00 C ATOM 1664 C GLY A 110 -22.013 -18.738 6.819 1.00 0.00 C ATOM 1665 O GLY A 110 -21.232 -19.624 7.165 1.00 0.00 O ATOM 0 H GLY A 110 -20.037 -17.926 8.165 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -22.576 -16.968 7.881 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -21.858 -16.665 6.311 1.00 0.00 H new ATOM 1669 N PRO A 111 -23.107 -18.996 6.087 1.00 0.00 N ATOM 1670 CA PRO A 111 -23.461 -20.347 5.642 1.00 0.00 C ATOM 1671 C PRO A 111 -22.506 -20.876 4.577 1.00 0.00 C ATOM 1672 O PRO A 111 -22.524 -22.061 4.247 1.00 0.00 O ATOM 1673 CB PRO A 111 -24.866 -20.172 5.060 1.00 0.00 C ATOM 1674 CG PRO A 111 -24.931 -18.741 4.650 1.00 0.00 C ATOM 1675 CD PRO A 111 -24.083 -17.989 5.638 1.00 0.00 C ATOM 0 HA PRO A 111 -23.408 -21.071 6.456 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -25.028 -20.835 4.210 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -25.632 -20.407 5.798 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -24.558 -18.609 3.635 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -25.959 -18.378 4.662 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -23.592 -17.132 5.176 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -24.677 -17.607 6.468 1.00 0.00 H new ATOM 1683 N SER A 112 -21.672 -19.988 4.044 1.00 0.00 N ATOM 1684 CA SER A 112 -20.711 -20.365 3.014 1.00 0.00 C ATOM 1685 C SER A 112 -19.868 -21.554 3.467 1.00 0.00 C ATOM 1686 O SER A 112 -19.514 -21.667 4.640 1.00 0.00 O ATOM 1687 CB SER A 112 -19.803 -19.181 2.676 1.00 0.00 C ATOM 1688 OG SER A 112 -20.486 -18.224 1.885 1.00 0.00 O ATOM 0 H SER A 112 -21.643 -19.003 4.308 1.00 0.00 H new ATOM 0 HA SER A 112 -21.266 -20.654 2.122 1.00 0.00 H new ATOM 0 HB2 SER A 112 -19.452 -18.713 3.596 1.00 0.00 H new ATOM 0 HB3 SER A 112 -18.921 -19.536 2.143 1.00 0.00 H new ATOM 0 HG SER A 112 -19.885 -17.477 1.684 1.00 0.00 H new ATOM 1694 N SER A 113 -19.550 -22.438 2.526 1.00 0.00 N ATOM 1695 CA SER A 113 -18.752 -23.620 2.828 1.00 0.00 C ATOM 1696 C SER A 113 -17.563 -23.730 1.878 1.00 0.00 C ATOM 1697 O SER A 113 -16.429 -23.937 2.307 1.00 0.00 O ATOM 1698 CB SER A 113 -19.613 -24.881 2.731 1.00 0.00 C ATOM 1699 OG SER A 113 -20.220 -24.988 1.455 1.00 0.00 O ATOM 0 H SER A 113 -19.833 -22.358 1.549 1.00 0.00 H new ATOM 0 HA SER A 113 -18.375 -23.523 3.846 1.00 0.00 H new ATOM 0 HB2 SER A 113 -18.997 -25.761 2.919 1.00 0.00 H new ATOM 0 HB3 SER A 113 -20.383 -24.860 3.503 1.00 0.00 H new ATOM 0 HG SER A 113 -20.763 -25.803 1.418 1.00 0.00 H new ATOM 1705 N GLY A 114 -17.832 -23.588 0.583 1.00 0.00 N ATOM 1706 CA GLY A 114 -16.776 -23.674 -0.408 1.00 0.00 C ATOM 1707 C GLY A 114 -17.131 -24.599 -1.555 1.00 0.00 C ATOM 1708 O GLY A 114 -16.799 -25.784 -1.531 1.00 0.00 O ATOM 0 H GLY A 114 -18.763 -23.415 0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -16.568 -22.678 -0.800 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -15.862 -24.027 0.069 1.00 0.00 H new TER 1712 GLY A 114