USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 924 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 44 TYR OH : rot -8:sc= -1.9 USER MOD Set 1.2: A 89 THR OG1 : rot 35:sc= 0.143 USER MOD Set 2.1: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 47 TYR OH : rot -32:sc= 1.16 USER MOD Set 2.3: A 108 LYS NZ :NH3+ 139:sc= 0.96 (180deg=0.00396) USER MOD Set 3.1: A 38 MET CE :methyl 156:sc= -0.229 (180deg=-1.25) USER MOD Set 3.2: A 42 SER OG : rot 180:sc= -0.59 USER MOD Set 4.1: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 0 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.784 K(o=-0.78,f=-1.3) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -6.81! C(o=-6.8!,f=-7!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -170:sc= -3.57! (180deg=-3.74!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -5.73! C(o=-5.7!,f=-13!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= -1.15 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.279 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 85:sc= 0.158 USER MOD Single : A 67 SER OG : rot 180:sc= -0.19 USER MOD Single : A 68 HIS : no HE2:sc= -5.46! C(o=-5.5!,f=-10!) USER MOD Single : A 70 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0501) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 40:sc= 0.0912 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.0221 X(o=-0.022,f=-0.31) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00907 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS :FLIP no HD1:sc= -0.258 F(o=-1,f=-0.26) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0967 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0594 USER MOD Single : A 87 SER OG : rot 43:sc= 0.288 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.291 X(o=-0.29,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 TYR OH : rot 139:sc= 0.65 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 29.769 -8.462 10.862 1.00 0.00 N ATOM 2 CA GLY A 0 29.387 -8.335 12.296 1.00 0.00 C ATOM 3 C GLY A 0 29.421 -6.900 12.780 1.00 0.00 C ATOM 4 O GLY A 0 30.029 -6.598 13.807 1.00 0.00 O ATOM 0 H1 GLY A 0 29.730 -9.462 10.580 1.00 0.00 H new ATOM 0 H2 GLY A 0 29.109 -7.911 10.277 1.00 0.00 H new ATOM 0 H3 GLY A 0 30.735 -8.102 10.727 1.00 0.00 H new ATOM 0 HA2 GLY A 0 28.385 -8.740 12.439 1.00 0.00 H new ATOM 0 HA3 GLY A 0 30.063 -8.936 12.904 1.00 0.00 H new ATOM 10 N SER A 1 28.766 -6.011 12.040 1.00 0.00 N ATOM 11 CA SER A 1 28.725 -4.598 12.399 1.00 0.00 C ATOM 12 C SER A 1 27.422 -4.258 13.116 1.00 0.00 C ATOM 13 O SER A 1 26.334 -4.565 12.627 1.00 0.00 O ATOM 14 CB SER A 1 28.876 -3.728 11.151 1.00 0.00 C ATOM 15 OG SER A 1 29.094 -2.371 11.498 1.00 0.00 O ATOM 0 H SER A 1 28.256 -6.244 11.188 1.00 0.00 H new ATOM 0 HA SER A 1 29.555 -4.396 13.076 1.00 0.00 H new ATOM 0 HB2 SER A 1 29.709 -4.091 10.549 1.00 0.00 H new ATOM 0 HB3 SER A 1 27.980 -3.810 10.536 1.00 0.00 H new ATOM 0 HG SER A 1 29.189 -1.836 10.682 1.00 0.00 H new ATOM 21 N MET A 2 27.539 -3.620 14.276 1.00 0.00 N ATOM 22 CA MET A 2 26.370 -3.238 15.059 1.00 0.00 C ATOM 23 C MET A 2 25.984 -1.787 14.786 1.00 0.00 C ATOM 24 O MET A 2 26.790 -1.004 14.286 1.00 0.00 O ATOM 25 CB MET A 2 26.644 -3.435 16.552 1.00 0.00 C ATOM 26 CG MET A 2 26.082 -4.733 17.108 1.00 0.00 C ATOM 27 SD MET A 2 26.438 -4.949 18.862 1.00 0.00 S ATOM 28 CE MET A 2 25.515 -6.442 19.214 1.00 0.00 C ATOM 0 H MET A 2 28.431 -3.357 14.694 1.00 0.00 H new ATOM 0 HA MET A 2 25.539 -3.878 14.763 1.00 0.00 H new ATOM 0 HB2 MET A 2 27.721 -3.413 16.721 1.00 0.00 H new ATOM 0 HB3 MET A 2 26.217 -2.598 17.105 1.00 0.00 H new ATOM 0 HG2 MET A 2 25.003 -4.752 16.955 1.00 0.00 H new ATOM 0 HG3 MET A 2 26.498 -5.573 16.551 1.00 0.00 H new ATOM 0 HE1 MET A 2 25.636 -6.706 20.265 1.00 0.00 H new ATOM 0 HE2 MET A 2 24.459 -6.276 19.001 1.00 0.00 H new ATOM 0 HE3 MET A 2 25.887 -7.255 18.591 1.00 0.00 H new ATOM 38 N MET A 3 24.746 -1.438 15.119 1.00 0.00 N ATOM 39 CA MET A 3 24.252 -0.083 14.910 1.00 0.00 C ATOM 40 C MET A 3 23.191 0.275 15.947 1.00 0.00 C ATOM 41 O MET A 3 22.809 -0.556 16.771 1.00 0.00 O ATOM 42 CB MET A 3 23.673 0.061 13.501 1.00 0.00 C ATOM 43 CG MET A 3 24.693 0.507 12.467 1.00 0.00 C ATOM 44 SD MET A 3 23.929 1.046 10.925 1.00 0.00 S ATOM 45 CE MET A 3 24.037 -0.451 9.950 1.00 0.00 C ATOM 0 H MET A 3 24.067 -2.075 15.535 1.00 0.00 H new ATOM 0 HA MET A 3 25.091 0.604 15.022 1.00 0.00 H new ATOM 0 HB2 MET A 3 23.249 -0.894 13.192 1.00 0.00 H new ATOM 0 HB3 MET A 3 22.854 0.780 13.525 1.00 0.00 H new ATOM 0 HG2 MET A 3 25.288 1.323 12.878 1.00 0.00 H new ATOM 0 HG3 MET A 3 25.378 -0.315 12.260 1.00 0.00 H new ATOM 0 HE1 MET A 3 23.604 -0.276 8.965 1.00 0.00 H new ATOM 0 HE2 MET A 3 25.082 -0.739 9.840 1.00 0.00 H new ATOM 0 HE3 MET A 3 23.491 -1.251 10.450 1.00 0.00 H new ATOM 55 N MET A 4 22.720 1.517 15.900 1.00 0.00 N ATOM 56 CA MET A 4 21.704 1.985 16.835 1.00 0.00 C ATOM 57 C MET A 4 20.304 1.783 16.262 1.00 0.00 C ATOM 58 O MET A 4 19.351 1.532 17.000 1.00 0.00 O ATOM 59 CB MET A 4 21.927 3.462 17.167 1.00 0.00 C ATOM 60 CG MET A 4 22.667 3.686 18.476 1.00 0.00 C ATOM 61 SD MET A 4 24.434 3.950 18.238 1.00 0.00 S ATOM 62 CE MET A 4 24.862 4.776 19.769 1.00 0.00 C ATOM 0 H MET A 4 23.026 2.217 15.224 1.00 0.00 H new ATOM 0 HA MET A 4 21.790 1.399 17.750 1.00 0.00 H new ATOM 0 HB2 MET A 4 22.489 3.927 16.357 1.00 0.00 H new ATOM 0 HB3 MET A 4 20.961 3.965 17.214 1.00 0.00 H new ATOM 0 HG2 MET A 4 22.240 4.549 18.987 1.00 0.00 H new ATOM 0 HG3 MET A 4 22.517 2.824 19.126 1.00 0.00 H new ATOM 0 HE1 MET A 4 25.927 5.006 19.773 1.00 0.00 H new ATOM 0 HE2 MET A 4 24.291 5.700 19.856 1.00 0.00 H new ATOM 0 HE3 MET A 4 24.628 4.125 20.611 1.00 0.00 H new ATOM 72 N ALA A 5 20.188 1.895 14.943 1.00 0.00 N ATOM 73 CA ALA A 5 18.905 1.724 14.272 1.00 0.00 C ATOM 74 C ALA A 5 18.722 0.289 13.792 1.00 0.00 C ATOM 75 O ALA A 5 19.687 -0.380 13.421 1.00 0.00 O ATOM 76 CB ALA A 5 18.788 2.692 13.104 1.00 0.00 C ATOM 0 H ALA A 5 20.967 2.103 14.318 1.00 0.00 H new ATOM 0 HA ALA A 5 18.115 1.941 14.991 1.00 0.00 H new ATOM 0 HB1 ALA A 5 17.825 2.554 12.612 1.00 0.00 H new ATOM 0 HB2 ALA A 5 18.864 3.716 13.471 1.00 0.00 H new ATOM 0 HB3 ALA A 5 19.591 2.501 12.391 1.00 0.00 H new ATOM 82 N LEU A 6 17.479 -0.179 13.803 1.00 0.00 N ATOM 83 CA LEU A 6 17.170 -1.538 13.369 1.00 0.00 C ATOM 84 C LEU A 6 15.889 -1.566 12.541 1.00 0.00 C ATOM 85 O LEU A 6 14.925 -0.863 12.845 1.00 0.00 O ATOM 86 CB LEU A 6 17.032 -2.463 14.579 1.00 0.00 C ATOM 87 CG LEU A 6 18.226 -2.464 15.533 1.00 0.00 C ATOM 88 CD1 LEU A 6 17.785 -2.828 16.941 1.00 0.00 C ATOM 89 CD2 LEU A 6 19.297 -3.427 15.042 1.00 0.00 C ATOM 0 H LEU A 6 16.669 0.361 14.107 1.00 0.00 H new ATOM 0 HA LEU A 6 17.991 -1.890 12.745 1.00 0.00 H new ATOM 0 HB2 LEU A 6 16.141 -2.175 15.137 1.00 0.00 H new ATOM 0 HB3 LEU A 6 16.870 -3.480 14.223 1.00 0.00 H new ATOM 0 HG LEU A 6 18.649 -1.460 15.556 1.00 0.00 H new ATOM 0 HD11 LEU A 6 18.649 -2.823 17.606 1.00 0.00 H new ATOM 0 HD12 LEU A 6 17.053 -2.101 17.292 1.00 0.00 H new ATOM 0 HD13 LEU A 6 17.336 -3.821 16.936 1.00 0.00 H new ATOM 0 HD21 LEU A 6 20.140 -3.416 15.732 1.00 0.00 H new ATOM 0 HD22 LEU A 6 18.884 -4.434 14.990 1.00 0.00 H new ATOM 0 HD23 LEU A 6 19.635 -3.121 14.052 1.00 0.00 H new ATOM 101 N SER A 7 15.885 -2.384 11.494 1.00 0.00 N ATOM 102 CA SER A 7 14.722 -2.505 10.623 1.00 0.00 C ATOM 103 C SER A 7 14.386 -1.165 9.974 1.00 0.00 C ATOM 104 O SER A 7 14.846 -0.115 10.422 1.00 0.00 O ATOM 105 CB SER A 7 13.518 -3.020 11.413 1.00 0.00 C ATOM 106 OG SER A 7 13.389 -4.425 11.288 1.00 0.00 O ATOM 0 H SER A 7 16.674 -2.973 11.228 1.00 0.00 H new ATOM 0 HA SER A 7 14.962 -3.219 9.835 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.628 -2.754 12.464 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.610 -2.535 11.055 1.00 0.00 H new ATOM 0 HG SER A 7 12.613 -4.729 11.804 1.00 0.00 H new ATOM 112 N LYS A 8 13.583 -1.212 8.916 1.00 0.00 N ATOM 113 CA LYS A 8 13.186 -0.001 8.204 1.00 0.00 C ATOM 114 C LYS A 8 11.725 0.353 8.480 1.00 0.00 C ATOM 115 O LYS A 8 11.177 1.274 7.873 1.00 0.00 O ATOM 116 CB LYS A 8 13.402 -0.180 6.702 1.00 0.00 C ATOM 117 CG LYS A 8 14.822 -0.578 6.334 1.00 0.00 C ATOM 118 CD LYS A 8 15.295 0.135 5.078 1.00 0.00 C ATOM 119 CE LYS A 8 16.244 -0.733 4.268 1.00 0.00 C ATOM 120 NZ LYS A 8 17.353 0.063 3.671 1.00 0.00 N ATOM 0 H LYS A 8 13.195 -2.074 8.533 1.00 0.00 H new ATOM 0 HA LYS A 8 13.808 0.818 8.565 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.713 -0.940 6.333 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.151 0.751 6.194 1.00 0.00 H new ATOM 0 HG2 LYS A 8 15.492 -0.343 7.161 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.870 -1.656 6.181 1.00 0.00 H new ATOM 0 HD2 LYS A 8 14.435 0.404 4.466 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.795 1.064 5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 8 16.660 -1.511 4.908 1.00 0.00 H new ATOM 0 HE3 LYS A 8 15.690 -1.235 3.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 17.978 -0.566 3.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.958 0.790 3.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.898 0.521 4.429 1.00 0.00 H new ATOM 134 N THR A 9 11.096 -0.380 9.396 1.00 0.00 N ATOM 135 CA THR A 9 9.700 -0.136 9.743 1.00 0.00 C ATOM 136 C THR A 9 9.595 0.570 11.092 1.00 0.00 C ATOM 137 O THR A 9 10.307 0.228 12.037 1.00 0.00 O ATOM 138 CB THR A 9 8.920 -1.454 9.779 1.00 0.00 C ATOM 139 OG1 THR A 9 9.037 -2.076 11.047 1.00 0.00 O ATOM 140 CG2 THR A 9 9.375 -2.454 8.736 1.00 0.00 C ATOM 0 H THR A 9 11.531 -1.146 9.910 1.00 0.00 H new ATOM 0 HA THR A 9 9.267 0.509 8.978 1.00 0.00 H new ATOM 0 HB THR A 9 7.887 -1.178 9.567 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.530 -2.915 11.048 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.780 -3.363 8.820 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.247 -2.026 7.742 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.426 -2.693 8.895 1.00 0.00 H new ATOM 148 N PHE A 10 8.710 1.558 11.179 1.00 0.00 N ATOM 149 CA PHE A 10 8.528 2.307 12.419 1.00 0.00 C ATOM 150 C PHE A 10 7.053 2.565 12.698 1.00 0.00 C ATOM 151 O PHE A 10 6.350 3.124 11.859 1.00 0.00 O ATOM 152 CB PHE A 10 9.257 3.653 12.330 1.00 0.00 C ATOM 153 CG PHE A 10 10.301 3.711 11.249 1.00 0.00 C ATOM 154 CD1 PHE A 10 10.135 4.548 10.157 1.00 0.00 C ATOM 155 CD2 PHE A 10 11.440 2.928 11.322 1.00 0.00 C ATOM 156 CE1 PHE A 10 11.087 4.602 9.156 1.00 0.00 C ATOM 157 CE2 PHE A 10 12.398 2.978 10.326 1.00 0.00 C ATOM 158 CZ PHE A 10 12.220 3.816 9.241 1.00 0.00 C ATOM 0 H PHE A 10 8.110 1.858 10.410 1.00 0.00 H new ATOM 0 HA PHE A 10 8.941 1.708 13.231 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.524 4.441 12.156 1.00 0.00 H new ATOM 0 HB3 PHE A 10 9.730 3.863 13.289 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.252 5.165 10.087 1.00 0.00 H new ATOM 0 HD2 PHE A 10 11.582 2.270 12.167 1.00 0.00 H new ATOM 0 HE1 PHE A 10 10.945 5.257 8.309 1.00 0.00 H new ATOM 0 HE2 PHE A 10 13.283 2.364 10.396 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.966 3.856 8.461 1.00 0.00 H new ATOM 168 N GLY A 11 6.589 2.188 13.887 1.00 0.00 N ATOM 169 CA GLY A 11 5.201 2.431 14.229 1.00 0.00 C ATOM 170 C GLY A 11 4.311 1.235 13.961 1.00 0.00 C ATOM 171 O GLY A 11 4.788 0.144 13.652 1.00 0.00 O ATOM 0 H GLY A 11 7.141 1.725 14.609 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.133 2.699 15.283 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.835 3.285 13.659 1.00 0.00 H new ATOM 175 N GLN A 12 3.007 1.455 14.063 1.00 0.00 N ATOM 176 CA GLN A 12 2.024 0.413 13.807 1.00 0.00 C ATOM 177 C GLN A 12 2.044 0.040 12.326 1.00 0.00 C ATOM 178 O GLN A 12 2.495 0.824 11.491 1.00 0.00 O ATOM 179 CB GLN A 12 0.623 0.877 14.222 1.00 0.00 C ATOM 180 CG GLN A 12 0.055 1.985 13.348 1.00 0.00 C ATOM 181 CD GLN A 12 0.483 3.366 13.804 1.00 0.00 C ATOM 182 OE1 GLN A 12 0.483 3.666 14.998 1.00 0.00 O ATOM 183 NE2 GLN A 12 0.850 4.217 12.852 1.00 0.00 N ATOM 0 H GLN A 12 2.604 2.355 14.324 1.00 0.00 H new ATOM 0 HA GLN A 12 2.279 -0.465 14.400 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.054 0.023 14.195 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.657 1.224 15.255 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.377 1.831 12.318 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.033 1.926 13.354 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.835 3.926 11.874 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.147 5.161 13.099 1.00 0.00 H new ATOM 192 N LYS A 13 1.573 -1.158 12.001 1.00 0.00 N ATOM 193 CA LYS A 13 1.566 -1.617 10.616 1.00 0.00 C ATOM 194 C LYS A 13 0.572 -0.796 9.799 1.00 0.00 C ATOM 195 O LYS A 13 -0.482 -0.404 10.301 1.00 0.00 O ATOM 196 CB LYS A 13 1.193 -3.108 10.560 1.00 0.00 C ATOM 197 CG LYS A 13 0.847 -3.628 9.166 1.00 0.00 C ATOM 198 CD LYS A 13 1.966 -4.490 8.600 1.00 0.00 C ATOM 199 CE LYS A 13 1.433 -5.543 7.641 1.00 0.00 C ATOM 200 NZ LYS A 13 1.574 -6.919 8.194 1.00 0.00 N ATOM 0 H LYS A 13 1.193 -1.826 12.672 1.00 0.00 H new ATOM 0 HA LYS A 13 2.562 -1.486 10.193 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.025 -3.692 10.954 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.342 -3.281 11.219 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.074 -4.209 9.211 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.661 -2.787 8.498 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.687 -3.857 8.082 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.499 -4.977 9.417 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.383 -5.343 7.429 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.968 -5.476 6.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.199 -7.608 7.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.579 -7.120 8.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.043 -6.991 9.085 1.00 0.00 H new ATOM 214 N PRO A 14 0.903 -0.508 8.525 1.00 0.00 N ATOM 215 CA PRO A 14 0.036 0.286 7.654 1.00 0.00 C ATOM 216 C PRO A 14 -1.328 -0.360 7.480 1.00 0.00 C ATOM 217 O PRO A 14 -1.484 -1.565 7.683 1.00 0.00 O ATOM 218 CB PRO A 14 0.785 0.317 6.317 1.00 0.00 C ATOM 219 CG PRO A 14 2.201 0.009 6.660 1.00 0.00 C ATOM 220 CD PRO A 14 2.148 -0.912 7.846 1.00 0.00 C ATOM 0 HA PRO A 14 -0.156 1.278 8.064 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.379 -0.417 5.620 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.698 1.293 5.839 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.712 -0.464 5.821 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.752 0.919 6.897 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.121 -1.959 7.543 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.018 -0.789 8.491 1.00 0.00 H new ATOM 228 N VAL A 15 -2.320 0.445 7.126 1.00 0.00 N ATOM 229 CA VAL A 15 -3.670 -0.061 6.953 1.00 0.00 C ATOM 230 C VAL A 15 -3.804 -0.899 5.686 1.00 0.00 C ATOM 231 O VAL A 15 -3.658 -0.398 4.560 1.00 0.00 O ATOM 232 CB VAL A 15 -4.710 1.077 6.940 1.00 0.00 C ATOM 233 CG1 VAL A 15 -4.540 1.962 8.165 1.00 0.00 C ATOM 234 CG2 VAL A 15 -4.611 1.893 5.662 1.00 0.00 C ATOM 0 H VAL A 15 -2.215 1.445 6.954 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.870 -0.702 7.812 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.705 0.632 6.972 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.281 2.761 8.142 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.677 1.365 9.067 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.540 2.395 8.165 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.356 2.689 5.680 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.615 2.330 5.585 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.791 1.247 4.803 1.00 0.00 H new ATOM 244 N LYS A 16 -4.096 -2.180 5.892 1.00 0.00 N ATOM 245 CA LYS A 16 -4.281 -3.122 4.801 1.00 0.00 C ATOM 246 C LYS A 16 -5.754 -3.490 4.693 1.00 0.00 C ATOM 247 O LYS A 16 -6.526 -3.270 5.626 1.00 0.00 O ATOM 248 CB LYS A 16 -3.454 -4.393 5.031 1.00 0.00 C ATOM 249 CG LYS A 16 -3.858 -5.166 6.271 1.00 0.00 C ATOM 250 CD LYS A 16 -3.936 -6.657 5.991 1.00 0.00 C ATOM 251 CE LYS A 16 -5.080 -7.303 6.750 1.00 0.00 C ATOM 252 NZ LYS A 16 -4.720 -7.581 8.169 1.00 0.00 N ATOM 0 H LYS A 16 -4.210 -2.590 6.819 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.945 -2.652 3.877 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.552 -5.042 4.161 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.401 -4.122 5.109 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.138 -4.981 7.068 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.825 -4.809 6.626 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.068 -6.822 4.922 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.996 -7.132 6.273 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.952 -6.649 6.718 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.362 -8.234 6.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.528 -8.022 8.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.904 -8.225 8.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.476 -6.690 8.646 1.00 0.00 H new ATOM 266 N PHE A 17 -6.139 -4.053 3.563 1.00 0.00 N ATOM 267 CA PHE A 17 -7.520 -4.457 3.349 1.00 0.00 C ATOM 268 C PHE A 17 -7.597 -5.479 2.232 1.00 0.00 C ATOM 269 O PHE A 17 -6.693 -5.570 1.406 1.00 0.00 O ATOM 270 CB PHE A 17 -8.390 -3.245 3.011 1.00 0.00 C ATOM 271 CG PHE A 17 -7.856 -2.414 1.879 1.00 0.00 C ATOM 272 CD1 PHE A 17 -7.910 -2.876 0.572 1.00 0.00 C ATOM 273 CD2 PHE A 17 -7.304 -1.168 2.122 1.00 0.00 C ATOM 274 CE1 PHE A 17 -7.423 -2.109 -0.470 1.00 0.00 C ATOM 275 CE2 PHE A 17 -6.815 -0.397 1.086 1.00 0.00 C ATOM 276 CZ PHE A 17 -6.873 -0.865 -0.211 1.00 0.00 C ATOM 0 H PHE A 17 -5.516 -4.242 2.778 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.894 -4.906 4.269 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.393 -3.589 2.756 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.484 -2.618 3.898 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -8.337 -3.846 0.366 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.255 -0.794 3.134 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.471 -2.479 -1.483 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.387 0.573 1.291 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.490 -0.263 -1.022 1.00 0.00 H new ATOM 286 N GLN A 18 -8.678 -6.245 2.197 1.00 0.00 N ATOM 287 CA GLN A 18 -8.838 -7.244 1.157 1.00 0.00 C ATOM 288 C GLN A 18 -9.805 -6.747 0.096 1.00 0.00 C ATOM 289 O GLN A 18 -10.928 -6.344 0.400 1.00 0.00 O ATOM 290 CB GLN A 18 -9.331 -8.573 1.744 1.00 0.00 C ATOM 291 CG GLN A 18 -8.657 -9.791 1.126 1.00 0.00 C ATOM 292 CD GLN A 18 -9.131 -11.108 1.713 1.00 0.00 C ATOM 293 OE1 GLN A 18 -8.340 -11.893 2.227 1.00 0.00 O ATOM 294 NE2 GLN A 18 -10.428 -11.358 1.636 1.00 0.00 N ATOM 0 H GLN A 18 -9.445 -6.194 2.867 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.865 -7.416 0.697 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.154 -8.575 2.820 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.408 -8.649 1.598 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.843 -9.793 0.052 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.579 -9.708 1.263 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.053 -10.680 1.201 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.803 -12.229 2.012 1.00 0.00 H new ATOM 303 N LEU A 19 -9.363 -6.788 -1.154 1.00 0.00 N ATOM 304 CA LEU A 19 -10.196 -6.348 -2.265 1.00 0.00 C ATOM 305 C LEU A 19 -10.976 -7.529 -2.829 1.00 0.00 C ATOM 306 O LEU A 19 -12.009 -7.357 -3.476 1.00 0.00 O ATOM 307 CB LEU A 19 -9.341 -5.695 -3.356 1.00 0.00 C ATOM 308 CG LEU A 19 -8.730 -4.337 -2.990 1.00 0.00 C ATOM 309 CD1 LEU A 19 -8.227 -3.627 -4.238 1.00 0.00 C ATOM 310 CD2 LEU A 19 -9.744 -3.467 -2.258 1.00 0.00 C ATOM 0 H LEU A 19 -8.437 -7.120 -1.423 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.903 -5.603 -1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.533 -6.378 -3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.955 -5.569 -4.248 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.885 -4.512 -2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.796 -2.665 -3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.466 -4.239 -4.723 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.057 -3.468 -4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.288 -2.509 -2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.610 -3.301 -2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.060 -3.968 -1.343 1.00 0.00 H new ATOM 322 N GLU A 20 -10.478 -8.732 -2.557 1.00 0.00 N ATOM 323 CA GLU A 20 -11.126 -9.950 -3.011 1.00 0.00 C ATOM 324 C GLU A 20 -11.258 -10.935 -1.854 1.00 0.00 C ATOM 325 O GLU A 20 -10.379 -11.029 -1.000 1.00 0.00 O ATOM 326 CB GLU A 20 -10.332 -10.588 -4.153 1.00 0.00 C ATOM 327 CG GLU A 20 -9.954 -9.612 -5.255 1.00 0.00 C ATOM 328 CD GLU A 20 -10.739 -9.839 -6.532 1.00 0.00 C ATOM 329 OE1 GLU A 20 -11.982 -9.933 -6.456 1.00 0.00 O ATOM 330 OE2 GLU A 20 -10.111 -9.924 -7.607 1.00 0.00 O ATOM 0 H GLU A 20 -9.623 -8.885 -2.022 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.120 -9.696 -3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.424 -11.034 -3.747 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.920 -11.399 -4.584 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.123 -8.593 -4.906 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.889 -9.704 -5.467 1.00 0.00 H new ATOM 337 N ASP A 21 -12.363 -11.663 -1.836 1.00 0.00 N ATOM 338 CA ASP A 21 -12.625 -12.645 -0.790 1.00 0.00 C ATOM 339 C ASP A 21 -11.665 -13.832 -0.887 1.00 0.00 C ATOM 340 O ASP A 21 -11.622 -14.676 0.008 1.00 0.00 O ATOM 341 CB ASP A 21 -14.072 -13.137 -0.876 1.00 0.00 C ATOM 342 CG ASP A 21 -14.977 -12.445 0.124 1.00 0.00 C ATOM 343 OD1 ASP A 21 -16.121 -12.106 -0.246 1.00 0.00 O ATOM 344 OD2 ASP A 21 -14.542 -12.244 1.278 1.00 0.00 O ATOM 0 H ASP A 21 -13.099 -11.593 -2.538 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.466 -12.158 0.172 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.451 -12.967 -1.884 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.098 -14.213 -0.702 1.00 0.00 H new ATOM 349 N ASP A 22 -10.929 -13.913 -1.993 1.00 0.00 N ATOM 350 CA ASP A 22 -10.013 -15.026 -2.216 1.00 0.00 C ATOM 351 C ASP A 22 -8.676 -14.857 -1.492 1.00 0.00 C ATOM 352 O ASP A 22 -7.790 -15.703 -1.628 1.00 0.00 O ATOM 353 CB ASP A 22 -9.768 -15.215 -3.714 1.00 0.00 C ATOM 354 CG ASP A 22 -9.332 -16.625 -4.055 1.00 0.00 C ATOM 355 OD1 ASP A 22 -8.275 -16.779 -4.702 1.00 0.00 O ATOM 356 OD2 ASP A 22 -10.046 -17.577 -3.675 1.00 0.00 O ATOM 0 H ASP A 22 -10.949 -13.224 -2.745 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.493 -15.912 -1.799 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.680 -14.977 -4.261 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.005 -14.511 -4.046 1.00 0.00 H new ATOM 361 N GLY A 23 -8.529 -13.798 -0.702 1.00 0.00 N ATOM 362 CA GLY A 23 -7.289 -13.613 0.036 1.00 0.00 C ATOM 363 C GLY A 23 -6.354 -12.567 -0.546 1.00 0.00 C ATOM 364 O GLY A 23 -5.145 -12.632 -0.323 1.00 0.00 O ATOM 0 H GLY A 23 -9.233 -13.074 -0.559 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.531 -13.334 1.062 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.763 -14.567 0.080 1.00 0.00 H new ATOM 368 N GLU A 24 -6.891 -11.590 -1.271 1.00 0.00 N ATOM 369 CA GLU A 24 -6.052 -10.539 -1.840 1.00 0.00 C ATOM 370 C GLU A 24 -6.061 -9.316 -0.934 1.00 0.00 C ATOM 371 O GLU A 24 -7.101 -8.686 -0.740 1.00 0.00 O ATOM 372 CB GLU A 24 -6.535 -10.164 -3.244 1.00 0.00 C ATOM 373 CG GLU A 24 -5.669 -10.732 -4.357 1.00 0.00 C ATOM 374 CD GLU A 24 -4.221 -10.294 -4.251 1.00 0.00 C ATOM 375 OE1 GLU A 24 -3.976 -9.169 -3.768 1.00 0.00 O ATOM 376 OE2 GLU A 24 -3.333 -11.077 -4.650 1.00 0.00 O ATOM 0 H GLU A 24 -7.886 -11.503 -1.476 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.031 -10.913 -1.918 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.558 -10.518 -3.374 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.560 -9.078 -3.333 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.718 -11.821 -4.331 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.070 -10.418 -5.321 1.00 0.00 H new ATOM 383 N PHE A 25 -4.898 -8.989 -0.373 1.00 0.00 N ATOM 384 CA PHE A 25 -4.784 -7.854 0.529 1.00 0.00 C ATOM 385 C PHE A 25 -3.849 -6.783 -0.005 1.00 0.00 C ATOM 386 O PHE A 25 -2.760 -7.073 -0.501 1.00 0.00 O ATOM 387 CB PHE A 25 -4.297 -8.321 1.900 1.00 0.00 C ATOM 388 CG PHE A 25 -5.418 -8.661 2.834 1.00 0.00 C ATOM 389 CD1 PHE A 25 -5.843 -9.970 2.962 1.00 0.00 C ATOM 390 CD2 PHE A 25 -6.061 -7.673 3.565 1.00 0.00 C ATOM 391 CE1 PHE A 25 -6.893 -10.291 3.794 1.00 0.00 C ATOM 392 CE2 PHE A 25 -7.110 -7.991 4.405 1.00 0.00 C ATOM 393 CZ PHE A 25 -7.528 -9.303 4.516 1.00 0.00 C ATOM 0 H PHE A 25 -4.026 -9.495 -0.529 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.777 -7.412 0.616 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.658 -9.195 1.774 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.683 -7.539 2.347 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.346 -10.750 2.404 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.738 -6.646 3.476 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -7.219 -11.317 3.881 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.602 -7.216 4.974 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.352 -9.555 5.168 1.00 0.00 H new ATOM 403 N TYR A 26 -4.283 -5.541 0.131 1.00 0.00 N ATOM 404 CA TYR A 26 -3.503 -4.395 -0.300 1.00 0.00 C ATOM 405 C TYR A 26 -3.332 -3.422 0.857 1.00 0.00 C ATOM 406 O TYR A 26 -4.015 -3.527 1.875 1.00 0.00 O ATOM 407 CB TYR A 26 -4.174 -3.686 -1.475 1.00 0.00 C ATOM 408 CG TYR A 26 -4.255 -4.528 -2.726 1.00 0.00 C ATOM 409 CD1 TYR A 26 -5.257 -5.476 -2.888 1.00 0.00 C ATOM 410 CD2 TYR A 26 -3.326 -4.374 -3.746 1.00 0.00 C ATOM 411 CE1 TYR A 26 -5.330 -6.248 -4.032 1.00 0.00 C ATOM 412 CE2 TYR A 26 -3.392 -5.140 -4.894 1.00 0.00 C ATOM 413 CZ TYR A 26 -4.395 -6.075 -5.032 1.00 0.00 C ATOM 414 OH TYR A 26 -4.464 -6.842 -6.173 1.00 0.00 O ATOM 0 H TYR A 26 -5.185 -5.300 0.543 1.00 0.00 H new ATOM 0 HA TYR A 26 -2.526 -4.750 -0.626 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -5.181 -3.389 -1.182 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.624 -2.772 -1.698 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.991 -5.612 -2.107 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.538 -3.643 -3.640 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -6.114 -6.982 -4.143 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.662 -5.007 -5.679 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.733 -6.596 -6.778 1.00 0.00 H new ATOM 424 N MET A 27 -2.421 -2.479 0.695 1.00 0.00 N ATOM 425 CA MET A 27 -2.160 -1.483 1.727 1.00 0.00 C ATOM 426 C MET A 27 -2.156 -0.085 1.127 1.00 0.00 C ATOM 427 O MET A 27 -1.774 0.097 -0.031 1.00 0.00 O ATOM 428 CB MET A 27 -0.817 -1.761 2.406 1.00 0.00 C ATOM 429 CG MET A 27 -0.935 -2.599 3.668 1.00 0.00 C ATOM 430 SD MET A 27 -0.358 -4.292 3.435 1.00 0.00 S ATOM 431 CE MET A 27 1.140 -4.275 4.416 1.00 0.00 C ATOM 0 H MET A 27 -1.847 -2.379 -0.142 1.00 0.00 H new ATOM 0 HA MET A 27 -2.953 -1.544 2.472 1.00 0.00 H new ATOM 0 HB2 MET A 27 -0.162 -2.272 1.701 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.341 -0.812 2.653 1.00 0.00 H new ATOM 0 HG2 MET A 27 -0.360 -2.130 4.466 1.00 0.00 H new ATOM 0 HG3 MET A 27 -1.975 -2.615 3.993 1.00 0.00 H new ATOM 0 HE1 MET A 27 1.705 -5.189 4.233 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.746 -3.412 4.140 1.00 0.00 H new ATOM 0 HE3 MET A 27 0.882 -4.214 5.473 1.00 0.00 H new ATOM 441 N ILE A 28 -2.578 0.903 1.912 1.00 0.00 N ATOM 442 CA ILE A 28 -2.604 2.280 1.423 1.00 0.00 C ATOM 443 C ILE A 28 -1.204 2.888 1.445 1.00 0.00 C ATOM 444 O ILE A 28 -0.545 2.928 2.487 1.00 0.00 O ATOM 445 CB ILE A 28 -3.569 3.171 2.229 1.00 0.00 C ATOM 446 CG1 ILE A 28 -4.853 2.408 2.558 1.00 0.00 C ATOM 447 CG2 ILE A 28 -3.893 4.428 1.436 1.00 0.00 C ATOM 448 CD1 ILE A 28 -5.901 3.253 3.252 1.00 0.00 C ATOM 0 H ILE A 28 -2.901 0.781 2.872 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.968 2.240 0.396 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.088 3.454 3.165 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.274 2.008 1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.607 1.556 3.192 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.576 5.055 2.010 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.974 4.980 1.237 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.362 4.152 0.492 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.783 2.645 3.454 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.499 3.632 4.191 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.176 4.090 2.611 1.00 0.00 H new ATOM 460 N GLY A 29 -0.752 3.351 0.280 1.00 0.00 N ATOM 461 CA GLY A 29 0.576 3.930 0.169 1.00 0.00 C ATOM 462 C GLY A 29 0.816 5.058 1.148 1.00 0.00 C ATOM 463 O GLY A 29 1.950 5.290 1.564 1.00 0.00 O ATOM 0 H GLY A 29 -1.284 3.335 -0.590 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.320 3.151 0.332 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.720 4.301 -0.846 1.00 0.00 H new ATOM 467 N SER A 30 -0.245 5.754 1.532 1.00 0.00 N ATOM 468 CA SER A 30 -0.120 6.848 2.483 1.00 0.00 C ATOM 469 C SER A 30 0.417 6.322 3.810 1.00 0.00 C ATOM 470 O SER A 30 1.291 6.935 4.434 1.00 0.00 O ATOM 471 CB SER A 30 -1.473 7.530 2.696 1.00 0.00 C ATOM 472 OG SER A 30 -1.354 8.640 3.570 1.00 0.00 O ATOM 0 H SER A 30 -1.195 5.582 1.202 1.00 0.00 H new ATOM 0 HA SER A 30 0.578 7.583 2.082 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.872 7.860 1.737 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.184 6.814 3.108 1.00 0.00 H new ATOM 0 HG SER A 30 -2.232 9.059 3.688 1.00 0.00 H new ATOM 478 N GLU A 31 -0.101 5.170 4.227 1.00 0.00 N ATOM 479 CA GLU A 31 0.330 4.549 5.469 1.00 0.00 C ATOM 480 C GLU A 31 1.732 3.986 5.314 1.00 0.00 C ATOM 481 O GLU A 31 2.568 4.114 6.207 1.00 0.00 O ATOM 482 CB GLU A 31 -0.644 3.448 5.885 1.00 0.00 C ATOM 483 CG GLU A 31 -1.981 3.982 6.372 1.00 0.00 C ATOM 484 CD GLU A 31 -2.177 3.794 7.865 1.00 0.00 C ATOM 485 OE1 GLU A 31 -1.590 2.846 8.426 1.00 0.00 O ATOM 486 OE2 GLU A 31 -2.917 4.597 8.472 1.00 0.00 O ATOM 0 H GLU A 31 -0.819 4.651 3.721 1.00 0.00 H new ATOM 0 HA GLU A 31 0.342 5.308 6.251 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.813 2.783 5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.190 2.850 6.675 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.054 5.042 6.131 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.786 3.477 5.837 1.00 0.00 H new ATOM 493 N VAL A 32 1.987 3.380 4.162 1.00 0.00 N ATOM 494 CA VAL A 32 3.296 2.815 3.878 1.00 0.00 C ATOM 495 C VAL A 32 4.353 3.909 3.884 1.00 0.00 C ATOM 496 O VAL A 32 5.457 3.722 4.393 1.00 0.00 O ATOM 497 CB VAL A 32 3.319 2.092 2.517 1.00 0.00 C ATOM 498 CG1 VAL A 32 4.657 1.400 2.301 1.00 0.00 C ATOM 499 CG2 VAL A 32 2.174 1.095 2.423 1.00 0.00 C ATOM 0 H VAL A 32 1.305 3.268 3.412 1.00 0.00 H new ATOM 0 HA VAL A 32 3.514 2.086 4.658 1.00 0.00 H new ATOM 0 HB VAL A 32 3.190 2.835 1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.654 0.895 1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.457 2.140 2.321 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.820 0.668 3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.206 0.594 1.455 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.269 0.355 3.218 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.225 1.620 2.528 1.00 0.00 H new ATOM 509 N GLY A 33 4.000 5.057 3.316 1.00 0.00 N ATOM 510 CA GLY A 33 4.923 6.173 3.268 1.00 0.00 C ATOM 511 C GLY A 33 5.265 6.698 4.648 1.00 0.00 C ATOM 512 O GLY A 33 6.438 6.846 4.987 1.00 0.00 O ATOM 0 H GLY A 33 3.091 5.234 2.888 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.838 5.863 2.763 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.487 6.976 2.674 1.00 0.00 H new ATOM 516 N ASN A 34 4.246 6.971 5.458 1.00 0.00 N ATOM 517 CA ASN A 34 4.482 7.470 6.807 1.00 0.00 C ATOM 518 C ASN A 34 5.186 6.411 7.652 1.00 0.00 C ATOM 519 O ASN A 34 5.993 6.732 8.526 1.00 0.00 O ATOM 520 CB ASN A 34 3.176 7.929 7.471 1.00 0.00 C ATOM 521 CG ASN A 34 2.210 6.796 7.769 1.00 0.00 C ATOM 522 OD1 ASN A 34 2.613 5.689 8.122 1.00 0.00 O ATOM 523 ND2 ASN A 34 0.918 7.076 7.637 1.00 0.00 N ATOM 0 H ASN A 34 3.264 6.857 5.208 1.00 0.00 H new ATOM 0 HA ASN A 34 5.134 8.341 6.736 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.414 8.445 8.401 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.684 8.653 6.821 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.218 6.359 7.831 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.626 8.007 7.342 1.00 0.00 H new ATOM 530 N TYR A 35 4.874 5.149 7.379 1.00 0.00 N ATOM 531 CA TYR A 35 5.471 4.030 8.100 1.00 0.00 C ATOM 532 C TYR A 35 6.978 3.977 7.878 1.00 0.00 C ATOM 533 O TYR A 35 7.748 3.763 8.816 1.00 0.00 O ATOM 534 CB TYR A 35 4.828 2.725 7.627 1.00 0.00 C ATOM 535 CG TYR A 35 5.093 1.550 8.530 1.00 0.00 C ATOM 536 CD1 TYR A 35 5.305 0.282 8.009 1.00 0.00 C ATOM 537 CD2 TYR A 35 5.129 1.709 9.904 1.00 0.00 C ATOM 538 CE1 TYR A 35 5.545 -0.794 8.837 1.00 0.00 C ATOM 539 CE2 TYR A 35 5.371 0.641 10.738 1.00 0.00 C ATOM 540 CZ TYR A 35 5.579 -0.611 10.202 1.00 0.00 C ATOM 541 OH TYR A 35 5.819 -1.682 11.032 1.00 0.00 O ATOM 0 H TYR A 35 4.206 4.874 6.659 1.00 0.00 H new ATOM 0 HA TYR A 35 5.292 4.166 9.167 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.751 2.871 7.545 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.195 2.492 6.627 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.282 0.135 6.939 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.964 2.688 10.329 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.706 -1.776 8.417 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.398 0.784 11.808 1.00 0.00 H new ATOM 0 HH TYR A 35 5.811 -1.381 11.965 1.00 0.00 H new ATOM 551 N LEU A 36 7.394 4.188 6.637 1.00 0.00 N ATOM 552 CA LEU A 36 8.812 4.179 6.293 1.00 0.00 C ATOM 553 C LEU A 36 9.398 5.591 6.336 1.00 0.00 C ATOM 554 O LEU A 36 10.598 5.779 6.138 1.00 0.00 O ATOM 555 CB LEU A 36 9.024 3.565 4.908 1.00 0.00 C ATOM 556 CG LEU A 36 8.575 2.107 4.769 1.00 0.00 C ATOM 557 CD1 LEU A 36 7.463 1.977 3.737 1.00 0.00 C ATOM 558 CD2 LEU A 36 9.754 1.218 4.399 1.00 0.00 C ATOM 0 H LEU A 36 6.770 4.368 5.850 1.00 0.00 H new ATOM 0 HA LEU A 36 9.331 3.570 7.033 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.486 4.166 4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.083 3.629 4.657 1.00 0.00 H new ATOM 0 HG LEU A 36 8.184 1.779 5.732 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.162 0.933 3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.608 2.579 4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.822 2.326 2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.416 0.186 4.305 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.176 1.550 3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.515 1.281 5.177 1.00 0.00 H new ATOM 570 N ARG A 37 8.545 6.581 6.599 1.00 0.00 N ATOM 571 CA ARG A 37 8.974 7.974 6.672 1.00 0.00 C ATOM 572 C ARG A 37 9.386 8.506 5.304 1.00 0.00 C ATOM 573 O ARG A 37 10.242 9.383 5.201 1.00 0.00 O ATOM 574 CB ARG A 37 10.132 8.128 7.661 1.00 0.00 C ATOM 575 CG ARG A 37 10.106 9.441 8.429 1.00 0.00 C ATOM 576 CD ARG A 37 11.281 10.331 8.057 1.00 0.00 C ATOM 577 NE ARG A 37 11.129 11.686 8.583 1.00 0.00 N ATOM 578 CZ ARG A 37 11.884 12.716 8.208 1.00 0.00 C ATOM 579 NH1 ARG A 37 12.844 12.550 7.307 1.00 0.00 N ATOM 580 NH2 ARG A 37 11.678 13.916 8.736 1.00 0.00 N ATOM 0 H ARG A 37 7.548 6.441 6.765 1.00 0.00 H new ATOM 0 HA ARG A 37 8.124 8.560 7.021 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.105 7.301 8.371 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.075 8.052 7.119 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.173 9.965 8.223 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.128 9.237 9.500 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.203 9.894 8.441 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.376 10.372 6.972 1.00 0.00 H new ATOM 0 HE ARG A 37 10.402 11.852 9.278 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.006 11.630 6.898 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.420 13.343 7.023 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.941 14.049 9.429 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.256 14.706 8.449 1.00 0.00 H new ATOM 594 N MET A 38 8.759 7.983 4.255 1.00 0.00 N ATOM 595 CA MET A 38 9.050 8.425 2.899 1.00 0.00 C ATOM 596 C MET A 38 7.934 9.335 2.396 1.00 0.00 C ATOM 597 O MET A 38 6.759 8.969 2.433 1.00 0.00 O ATOM 598 CB MET A 38 9.209 7.221 1.966 1.00 0.00 C ATOM 599 CG MET A 38 10.657 6.837 1.711 1.00 0.00 C ATOM 600 SD MET A 38 10.880 5.058 1.523 1.00 0.00 S ATOM 601 CE MET A 38 12.276 5.008 0.403 1.00 0.00 C ATOM 0 H MET A 38 8.048 7.254 4.319 1.00 0.00 H new ATOM 0 HA MET A 38 9.986 8.983 2.907 1.00 0.00 H new ATOM 0 HB2 MET A 38 8.686 6.367 2.396 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.728 7.444 1.014 1.00 0.00 H new ATOM 0 HG2 MET A 38 11.009 7.341 0.811 1.00 0.00 H new ATOM 0 HG3 MET A 38 11.274 7.191 2.537 1.00 0.00 H new ATOM 0 HE1 MET A 38 12.798 4.058 0.515 1.00 0.00 H new ATOM 0 HE2 MET A 38 11.923 5.109 -0.623 1.00 0.00 H new ATOM 0 HE3 MET A 38 12.958 5.826 0.635 1.00 0.00 H new ATOM 611 N PHE A 39 8.305 10.525 1.938 1.00 0.00 N ATOM 612 CA PHE A 39 7.327 11.488 1.442 1.00 0.00 C ATOM 613 C PHE A 39 7.687 11.963 0.037 1.00 0.00 C ATOM 614 O PHE A 39 8.738 11.609 -0.498 1.00 0.00 O ATOM 615 CB PHE A 39 7.230 12.680 2.398 1.00 0.00 C ATOM 616 CG PHE A 39 7.327 12.289 3.848 1.00 0.00 C ATOM 617 CD1 PHE A 39 6.183 12.047 4.594 1.00 0.00 C ATOM 618 CD2 PHE A 39 8.562 12.161 4.463 1.00 0.00 C ATOM 619 CE1 PHE A 39 6.272 11.682 5.924 1.00 0.00 C ATOM 620 CE2 PHE A 39 8.655 11.798 5.793 1.00 0.00 C ATOM 621 CZ PHE A 39 7.510 11.558 6.525 1.00 0.00 C ATOM 0 H PHE A 39 9.272 10.846 1.899 1.00 0.00 H new ATOM 0 HA PHE A 39 6.357 10.993 1.392 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.025 13.389 2.166 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.284 13.196 2.230 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.212 12.145 4.131 1.00 0.00 H new ATOM 0 HD2 PHE A 39 9.462 12.347 3.896 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.374 11.494 6.494 1.00 0.00 H new ATOM 0 HE2 PHE A 39 9.624 11.702 6.260 1.00 0.00 H new ATOM 0 HZ PHE A 39 7.581 11.274 7.565 1.00 0.00 H new ATOM 631 N ARG A 40 6.808 12.767 -0.553 1.00 0.00 N ATOM 632 CA ARG A 40 7.032 13.291 -1.895 1.00 0.00 C ATOM 633 C ARG A 40 7.156 12.156 -2.906 1.00 0.00 C ATOM 634 O ARG A 40 8.027 12.176 -3.777 1.00 0.00 O ATOM 635 CB ARG A 40 8.295 14.156 -1.923 1.00 0.00 C ATOM 636 CG ARG A 40 8.140 15.481 -1.192 1.00 0.00 C ATOM 637 CD ARG A 40 7.669 16.585 -2.126 1.00 0.00 C ATOM 638 NE ARG A 40 6.296 16.368 -2.581 1.00 0.00 N ATOM 639 CZ ARG A 40 5.975 15.826 -3.756 1.00 0.00 C ATOM 640 NH1 ARG A 40 6.919 15.435 -4.603 1.00 0.00 N ATOM 641 NH2 ARG A 40 4.699 15.672 -4.084 1.00 0.00 N ATOM 0 H ARG A 40 5.934 13.070 -0.123 1.00 0.00 H new ATOM 0 HA ARG A 40 6.174 13.905 -2.168 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.118 13.598 -1.476 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.569 14.352 -2.960 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.427 15.365 -0.376 1.00 0.00 H new ATOM 0 HG3 ARG A 40 9.093 15.764 -0.745 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.734 17.545 -1.614 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.333 16.638 -2.989 1.00 0.00 H new ATOM 0 HE ARG A 40 5.537 16.649 -1.961 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.903 15.548 -4.358 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.661 15.022 -5.499 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.967 15.968 -3.438 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.450 15.258 -4.982 1.00 0.00 H new ATOM 655 N GLY A 41 6.283 11.162 -2.782 1.00 0.00 N ATOM 656 CA GLY A 41 6.314 10.029 -3.688 1.00 0.00 C ATOM 657 C GLY A 41 7.648 9.307 -3.667 1.00 0.00 C ATOM 658 O GLY A 41 7.984 8.583 -4.604 1.00 0.00 O ATOM 0 H GLY A 41 5.554 11.121 -2.070 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.522 9.330 -3.419 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.106 10.372 -4.701 1.00 0.00 H new ATOM 662 N SER A 42 8.410 9.504 -2.595 1.00 0.00 N ATOM 663 CA SER A 42 9.715 8.868 -2.456 1.00 0.00 C ATOM 664 C SER A 42 9.590 7.349 -2.497 1.00 0.00 C ATOM 665 O SER A 42 10.477 6.657 -2.994 1.00 0.00 O ATOM 666 CB SER A 42 10.378 9.302 -1.146 1.00 0.00 C ATOM 667 OG SER A 42 11.634 8.669 -0.977 1.00 0.00 O ATOM 0 H SER A 42 8.146 10.099 -1.810 1.00 0.00 H new ATOM 0 HA SER A 42 10.336 9.184 -3.294 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.509 10.384 -1.142 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.727 9.057 -0.307 1.00 0.00 H new ATOM 0 HG SER A 42 12.038 8.964 -0.134 1.00 0.00 H new ATOM 673 N LEU A 43 8.485 6.836 -1.966 1.00 0.00 N ATOM 674 CA LEU A 43 8.248 5.398 -1.941 1.00 0.00 C ATOM 675 C LEU A 43 8.104 4.841 -3.353 1.00 0.00 C ATOM 676 O LEU A 43 8.777 3.880 -3.723 1.00 0.00 O ATOM 677 CB LEU A 43 6.993 5.082 -1.125 1.00 0.00 C ATOM 678 CG LEU A 43 6.774 3.599 -0.820 1.00 0.00 C ATOM 679 CD1 LEU A 43 7.364 3.241 0.535 1.00 0.00 C ATOM 680 CD2 LEU A 43 5.292 3.259 -0.864 1.00 0.00 C ATOM 0 H LEU A 43 7.741 7.394 -1.548 1.00 0.00 H new ATOM 0 HA LEU A 43 9.109 4.923 -1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.044 5.627 -0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.124 5.458 -1.664 1.00 0.00 H new ATOM 0 HG LEU A 43 7.284 3.011 -1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.199 2.182 0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.434 3.447 0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.882 3.837 1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.155 2.200 -0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.760 3.855 -0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.898 3.478 -1.856 1.00 0.00 H new ATOM 692 N TYR A 44 7.223 5.449 -4.139 1.00 0.00 N ATOM 693 CA TYR A 44 6.991 5.009 -5.509 1.00 0.00 C ATOM 694 C TYR A 44 8.185 5.331 -6.399 1.00 0.00 C ATOM 695 O TYR A 44 8.515 4.573 -7.311 1.00 0.00 O ATOM 696 CB TYR A 44 5.724 5.662 -6.064 1.00 0.00 C ATOM 697 CG TYR A 44 4.488 5.334 -5.260 1.00 0.00 C ATOM 698 CD1 TYR A 44 3.613 6.332 -4.852 1.00 0.00 C ATOM 699 CD2 TYR A 44 4.200 4.022 -4.904 1.00 0.00 C ATOM 700 CE1 TYR A 44 2.486 6.033 -4.110 1.00 0.00 C ATOM 701 CE2 TYR A 44 3.074 3.714 -4.165 1.00 0.00 C ATOM 702 CZ TYR A 44 2.220 4.722 -3.770 1.00 0.00 C ATOM 703 OH TYR A 44 1.100 4.418 -3.031 1.00 0.00 O ATOM 0 H TYR A 44 6.658 6.248 -3.851 1.00 0.00 H new ATOM 0 HA TYR A 44 6.859 3.927 -5.501 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.859 6.743 -6.086 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.577 5.338 -7.094 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.816 7.359 -5.119 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.867 3.230 -5.210 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.817 6.821 -3.798 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.864 2.689 -3.898 1.00 0.00 H new ATOM 0 HH TYR A 44 0.676 5.246 -2.723 1.00 0.00 H new ATOM 713 N LYS A 45 8.837 6.456 -6.124 1.00 0.00 N ATOM 714 CA LYS A 45 10.001 6.868 -6.899 1.00 0.00 C ATOM 715 C LYS A 45 11.206 5.997 -6.560 1.00 0.00 C ATOM 716 O LYS A 45 12.068 5.755 -7.404 1.00 0.00 O ATOM 717 CB LYS A 45 10.326 8.338 -6.633 1.00 0.00 C ATOM 718 CG LYS A 45 10.807 9.086 -7.865 1.00 0.00 C ATOM 719 CD LYS A 45 11.318 10.473 -7.512 1.00 0.00 C ATOM 720 CE LYS A 45 11.547 11.317 -8.756 1.00 0.00 C ATOM 721 NZ LYS A 45 12.984 11.352 -9.144 1.00 0.00 N ATOM 0 H LYS A 45 8.580 7.096 -5.373 1.00 0.00 H new ATOM 0 HA LYS A 45 9.768 6.745 -7.957 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.437 8.833 -6.241 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.092 8.398 -5.859 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.601 8.518 -8.350 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.991 9.170 -8.583 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.600 10.971 -6.860 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.250 10.387 -6.953 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.958 10.916 -9.581 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.194 12.333 -8.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.099 11.937 -9.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.544 11.758 -8.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.314 10.386 -9.340 1.00 0.00 H new ATOM 735 N ARG A 46 11.255 5.526 -5.317 1.00 0.00 N ATOM 736 CA ARG A 46 12.350 4.679 -4.861 1.00 0.00 C ATOM 737 C ARG A 46 12.021 3.198 -5.048 1.00 0.00 C ATOM 738 O ARG A 46 12.906 2.345 -4.969 1.00 0.00 O ATOM 739 CB ARG A 46 12.660 4.961 -3.390 1.00 0.00 C ATOM 740 CG ARG A 46 13.926 4.281 -2.894 1.00 0.00 C ATOM 741 CD ARG A 46 14.941 5.290 -2.380 1.00 0.00 C ATOM 742 NE ARG A 46 16.060 4.644 -1.699 1.00 0.00 N ATOM 743 CZ ARG A 46 16.886 5.275 -0.868 1.00 0.00 C ATOM 744 NH1 ARG A 46 16.724 6.567 -0.613 1.00 0.00 N ATOM 745 NH2 ARG A 46 17.877 4.612 -0.289 1.00 0.00 N ATOM 0 H ARG A 46 10.548 5.718 -4.608 1.00 0.00 H new ATOM 0 HA ARG A 46 13.227 4.912 -5.465 1.00 0.00 H new ATOM 0 HB2 ARG A 46 12.756 6.037 -3.247 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.818 4.632 -2.780 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.675 3.580 -2.098 1.00 0.00 H new ATOM 0 HG3 ARG A 46 14.368 3.700 -3.703 1.00 0.00 H new ATOM 0 HD2 ARG A 46 15.318 5.882 -3.214 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.450 5.981 -1.695 1.00 0.00 H new ATOM 0 HE ARG A 46 16.218 3.651 -1.870 1.00 0.00 H new ATOM 0 HH11 ARG A 46 15.963 7.083 -1.055 1.00 0.00 H new ATOM 0 HH12 ARG A 46 17.361 7.045 0.025 1.00 0.00 H new ATOM 0 HH21 ARG A 46 18.006 3.619 -0.480 1.00 0.00 H new ATOM 0 HH22 ARG A 46 18.510 5.095 0.348 1.00 0.00 H new ATOM 759 N TYR A 47 10.748 2.897 -5.295 1.00 0.00 N ATOM 760 CA TYR A 47 10.315 1.516 -5.490 1.00 0.00 C ATOM 761 C TYR A 47 9.424 1.389 -6.728 1.00 0.00 C ATOM 762 O TYR A 47 8.238 1.075 -6.622 1.00 0.00 O ATOM 763 CB TYR A 47 9.563 1.020 -4.253 1.00 0.00 C ATOM 764 CG TYR A 47 10.438 0.852 -3.032 1.00 0.00 C ATOM 765 CD1 TYR A 47 11.030 -0.369 -2.751 1.00 0.00 C ATOM 766 CD2 TYR A 47 10.668 1.909 -2.160 1.00 0.00 C ATOM 767 CE1 TYR A 47 11.828 -0.540 -1.640 1.00 0.00 C ATOM 768 CE2 TYR A 47 11.467 1.748 -1.043 1.00 0.00 C ATOM 769 CZ TYR A 47 12.044 0.522 -0.787 1.00 0.00 C ATOM 770 OH TYR A 47 12.838 0.357 0.325 1.00 0.00 O ATOM 0 H TYR A 47 10.001 3.588 -5.365 1.00 0.00 H new ATOM 0 HA TYR A 47 11.202 0.901 -5.642 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.762 1.722 -4.021 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.092 0.065 -4.485 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.863 -1.204 -3.416 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.216 2.870 -2.357 1.00 0.00 H new ATOM 0 HE1 TYR A 47 12.281 -1.499 -1.439 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.638 2.579 -0.374 1.00 0.00 H new ATOM 0 HH TYR A 47 12.751 -0.561 0.656 1.00 0.00 H new ATOM 780 N PRO A 48 9.987 1.637 -7.926 1.00 0.00 N ATOM 781 CA PRO A 48 9.240 1.554 -9.188 1.00 0.00 C ATOM 782 C PRO A 48 8.664 0.163 -9.448 1.00 0.00 C ATOM 783 O PRO A 48 7.606 0.027 -10.063 1.00 0.00 O ATOM 784 CB PRO A 48 10.285 1.896 -10.256 1.00 0.00 C ATOM 785 CG PRO A 48 11.373 2.606 -9.527 1.00 0.00 C ATOM 786 CD PRO A 48 11.391 2.023 -8.143 1.00 0.00 C ATOM 0 HA PRO A 48 8.379 2.222 -9.180 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.660 0.995 -10.742 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.858 2.526 -11.037 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.333 2.464 -10.023 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.186 3.679 -9.496 1.00 0.00 H new ATOM 0 HD2 PRO A 48 12.060 1.165 -8.075 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.728 2.749 -7.404 1.00 0.00 H new ATOM 794 N SER A 49 9.367 -0.867 -8.985 1.00 0.00 N ATOM 795 CA SER A 49 8.921 -2.244 -9.180 1.00 0.00 C ATOM 796 C SER A 49 7.746 -2.587 -8.267 1.00 0.00 C ATOM 797 O SER A 49 7.072 -3.597 -8.464 1.00 0.00 O ATOM 798 CB SER A 49 10.075 -3.216 -8.928 1.00 0.00 C ATOM 799 OG SER A 49 10.134 -4.210 -9.936 1.00 0.00 O ATOM 0 H SER A 49 10.245 -0.775 -8.474 1.00 0.00 H new ATOM 0 HA SER A 49 8.586 -2.339 -10.213 1.00 0.00 H new ATOM 0 HB2 SER A 49 11.017 -2.668 -8.898 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.950 -3.689 -7.954 1.00 0.00 H new ATOM 0 HG SER A 49 10.881 -4.818 -9.753 1.00 0.00 H new ATOM 805 N LEU A 50 7.508 -1.745 -7.266 1.00 0.00 N ATOM 806 CA LEU A 50 6.418 -1.970 -6.326 1.00 0.00 C ATOM 807 C LEU A 50 5.063 -1.833 -7.009 1.00 0.00 C ATOM 808 O LEU A 50 4.828 -0.886 -7.759 1.00 0.00 O ATOM 809 CB LEU A 50 6.517 -0.979 -5.167 1.00 0.00 C ATOM 810 CG LEU A 50 6.247 -1.569 -3.784 1.00 0.00 C ATOM 811 CD1 LEU A 50 7.347 -2.545 -3.402 1.00 0.00 C ATOM 812 CD2 LEU A 50 6.131 -0.462 -2.749 1.00 0.00 C ATOM 0 H LEU A 50 8.055 -0.903 -7.086 1.00 0.00 H new ATOM 0 HA LEU A 50 6.505 -2.987 -5.944 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.515 -0.540 -5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.811 -0.167 -5.342 1.00 0.00 H new ATOM 0 HG LEU A 50 5.302 -2.111 -3.815 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.141 -2.957 -2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.385 -3.354 -4.132 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.305 -2.025 -3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.939 -0.899 -1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.061 0.105 -2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.310 0.203 -3.018 1.00 0.00 H new ATOM 824 N TRP A 51 4.172 -2.780 -6.737 1.00 0.00 N ATOM 825 CA TRP A 51 2.836 -2.754 -7.321 1.00 0.00 C ATOM 826 C TRP A 51 2.017 -1.614 -6.728 1.00 0.00 C ATOM 827 O TRP A 51 1.803 -1.558 -5.517 1.00 0.00 O ATOM 828 CB TRP A 51 2.118 -4.084 -7.080 1.00 0.00 C ATOM 829 CG TRP A 51 0.766 -4.147 -7.722 1.00 0.00 C ATOM 830 CD1 TRP A 51 0.447 -4.720 -8.919 1.00 0.00 C ATOM 831 CD2 TRP A 51 -0.451 -3.610 -7.198 1.00 0.00 C ATOM 832 NE1 TRP A 51 -0.897 -4.571 -9.169 1.00 0.00 N ATOM 833 CE2 TRP A 51 -1.470 -3.893 -8.125 1.00 0.00 C ATOM 834 CE3 TRP A 51 -0.776 -2.919 -6.029 1.00 0.00 C ATOM 835 CZ2 TRP A 51 -2.791 -3.506 -7.917 1.00 0.00 C ATOM 836 CZ3 TRP A 51 -2.083 -2.535 -5.821 1.00 0.00 C ATOM 837 CH2 TRP A 51 -3.079 -2.830 -6.762 1.00 0.00 C ATOM 0 H TRP A 51 4.349 -3.572 -6.119 1.00 0.00 H new ATOM 0 HA TRP A 51 2.939 -2.597 -8.395 1.00 0.00 H new ATOM 0 HB2 TRP A 51 2.734 -4.897 -7.464 1.00 0.00 H new ATOM 0 HB3 TRP A 51 2.012 -4.243 -6.007 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.147 -5.217 -9.574 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.387 -4.910 -9.997 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.014 -2.689 -5.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -3.561 -3.731 -8.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.344 -1.999 -4.920 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -4.095 -2.517 -6.572 1.00 0.00 H new ATOM 848 N ARG A 52 1.561 -0.705 -7.583 1.00 0.00 N ATOM 849 CA ARG A 52 0.765 0.431 -7.134 1.00 0.00 C ATOM 850 C ARG A 52 -0.383 0.707 -8.100 1.00 0.00 C ATOM 851 O ARG A 52 -0.210 0.642 -9.317 1.00 0.00 O ATOM 852 CB ARG A 52 1.644 1.676 -6.998 1.00 0.00 C ATOM 853 CG ARG A 52 2.442 1.997 -8.251 1.00 0.00 C ATOM 854 CD ARG A 52 2.697 3.490 -8.382 1.00 0.00 C ATOM 855 NE ARG A 52 1.454 4.248 -8.507 1.00 0.00 N ATOM 856 CZ ARG A 52 1.395 5.510 -8.926 1.00 0.00 C ATOM 857 NH1 ARG A 52 2.503 6.160 -9.260 1.00 0.00 N ATOM 858 NH2 ARG A 52 0.222 6.126 -9.010 1.00 0.00 N ATOM 0 H ARG A 52 1.729 -0.733 -8.589 1.00 0.00 H new ATOM 0 HA ARG A 52 0.344 0.185 -6.159 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.014 2.530 -6.750 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.333 1.535 -6.165 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.393 1.465 -8.224 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.902 1.641 -9.128 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.250 3.841 -7.511 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.324 3.676 -9.254 1.00 0.00 H new ATOM 0 HE ARG A 52 0.581 3.783 -8.259 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.407 5.693 -9.196 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.450 7.127 -9.580 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.633 5.632 -8.754 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.176 7.093 -9.331 1.00 0.00 H new ATOM 872 N ARG A 53 -1.555 1.013 -7.552 1.00 0.00 N ATOM 873 CA ARG A 53 -2.726 1.295 -8.373 1.00 0.00 C ATOM 874 C ARG A 53 -3.673 2.267 -7.684 1.00 0.00 C ATOM 875 O ARG A 53 -3.567 2.514 -6.482 1.00 0.00 O ATOM 876 CB ARG A 53 -3.472 0.002 -8.696 1.00 0.00 C ATOM 877 CG ARG A 53 -2.854 -0.771 -9.841 1.00 0.00 C ATOM 878 CD ARG A 53 -3.908 -1.487 -10.670 1.00 0.00 C ATOM 879 NE ARG A 53 -4.858 -2.220 -9.836 1.00 0.00 N ATOM 880 CZ ARG A 53 -5.763 -3.071 -10.316 1.00 0.00 C ATOM 881 NH1 ARG A 53 -5.842 -3.299 -11.621 1.00 0.00 N ATOM 882 NH2 ARG A 53 -6.587 -3.698 -9.488 1.00 0.00 N ATOM 0 H ARG A 53 -1.718 1.072 -6.547 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.373 1.755 -9.296 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.492 -0.630 -7.808 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.507 0.239 -8.942 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.291 -0.089 -10.478 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.144 -1.499 -9.448 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.446 -0.760 -11.278 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.420 -2.179 -11.357 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.826 -2.071 -8.827 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.208 -2.822 -12.261 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.537 -3.952 -11.984 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.528 -3.528 -8.484 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.280 -4.350 -9.855 1.00 0.00 H new ATOM 896 N LEU A 54 -4.605 2.804 -8.459 1.00 0.00 N ATOM 897 CA LEU A 54 -5.591 3.742 -7.938 1.00 0.00 C ATOM 898 C LEU A 54 -6.871 3.010 -7.556 1.00 0.00 C ATOM 899 O LEU A 54 -7.194 1.968 -8.126 1.00 0.00 O ATOM 900 CB LEU A 54 -5.891 4.825 -8.974 1.00 0.00 C ATOM 901 CG LEU A 54 -4.945 6.023 -8.942 1.00 0.00 C ATOM 902 CD1 LEU A 54 -4.277 6.219 -10.294 1.00 0.00 C ATOM 903 CD2 LEU A 54 -5.688 7.284 -8.525 1.00 0.00 C ATOM 0 H LEU A 54 -4.699 2.605 -9.455 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.181 4.215 -7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.854 4.378 -9.967 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.910 5.181 -8.822 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.169 5.822 -8.204 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.608 7.078 -10.248 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.706 5.327 -10.550 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.038 6.393 -11.054 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.996 8.126 -8.509 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.489 7.487 -9.236 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.113 7.144 -7.531 1.00 0.00 H new ATOM 915 N ALA A 55 -7.595 3.553 -6.583 1.00 0.00 N ATOM 916 CA ALA A 55 -8.834 2.937 -6.126 1.00 0.00 C ATOM 917 C ALA A 55 -10.059 3.617 -6.725 1.00 0.00 C ATOM 918 O ALA A 55 -10.218 4.835 -6.633 1.00 0.00 O ATOM 919 CB ALA A 55 -8.907 2.966 -4.607 1.00 0.00 C ATOM 0 H ALA A 55 -7.346 4.415 -6.098 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.832 1.902 -6.466 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.837 2.503 -4.279 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.062 2.417 -4.192 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.874 3.999 -4.261 1.00 0.00 H new ATOM 925 N THR A 56 -10.932 2.814 -7.325 1.00 0.00 N ATOM 926 CA THR A 56 -12.158 3.320 -7.928 1.00 0.00 C ATOM 927 C THR A 56 -13.138 3.741 -6.841 1.00 0.00 C ATOM 928 O THR A 56 -12.908 3.482 -5.665 1.00 0.00 O ATOM 929 CB THR A 56 -12.801 2.243 -8.801 1.00 0.00 C ATOM 930 OG1 THR A 56 -13.423 1.257 -7.993 1.00 0.00 O ATOM 931 CG2 THR A 56 -11.818 1.540 -9.711 1.00 0.00 C ATOM 0 H THR A 56 -10.811 1.804 -7.406 1.00 0.00 H new ATOM 0 HA THR A 56 -11.910 4.182 -8.547 1.00 0.00 H new ATOM 0 HB THR A 56 -13.528 2.767 -9.422 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.832 0.575 -8.566 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.342 0.789 -10.302 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.355 2.267 -10.378 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.048 1.057 -9.110 1.00 0.00 H new ATOM 939 N VAL A 57 -14.232 4.382 -7.232 1.00 0.00 N ATOM 940 CA VAL A 57 -15.236 4.815 -6.265 1.00 0.00 C ATOM 941 C VAL A 57 -15.728 3.627 -5.441 1.00 0.00 C ATOM 942 O VAL A 57 -15.942 3.733 -4.232 1.00 0.00 O ATOM 943 CB VAL A 57 -16.438 5.487 -6.956 1.00 0.00 C ATOM 944 CG1 VAL A 57 -17.407 6.045 -5.925 1.00 0.00 C ATOM 945 CG2 VAL A 57 -15.967 6.582 -7.904 1.00 0.00 C ATOM 0 H VAL A 57 -14.447 4.613 -8.202 1.00 0.00 H new ATOM 0 HA VAL A 57 -14.761 5.546 -5.611 1.00 0.00 H new ATOM 0 HB VAL A 57 -16.963 4.732 -7.541 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -18.249 6.515 -6.434 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -17.772 5.235 -5.293 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -16.896 6.785 -5.309 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -16.830 7.045 -8.383 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -15.415 7.336 -7.343 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -15.318 6.150 -8.666 1.00 0.00 H new ATOM 955 N GLU A 58 -15.888 2.487 -6.104 1.00 0.00 N ATOM 956 CA GLU A 58 -16.335 1.276 -5.431 1.00 0.00 C ATOM 957 C GLU A 58 -15.243 0.757 -4.505 1.00 0.00 C ATOM 958 O GLU A 58 -15.513 0.343 -3.376 1.00 0.00 O ATOM 959 CB GLU A 58 -16.708 0.204 -6.456 1.00 0.00 C ATOM 960 CG GLU A 58 -18.134 0.324 -6.971 1.00 0.00 C ATOM 961 CD GLU A 58 -18.819 -1.021 -7.107 1.00 0.00 C ATOM 962 OE1 GLU A 58 -18.846 -1.563 -8.231 1.00 0.00 O ATOM 963 OE2 GLU A 58 -19.332 -1.532 -6.088 1.00 0.00 O ATOM 0 H GLU A 58 -15.715 2.377 -7.103 1.00 0.00 H new ATOM 0 HA GLU A 58 -17.218 1.513 -4.838 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -16.020 0.264 -7.299 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -16.575 -0.780 -6.006 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -18.710 0.954 -6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -18.126 0.823 -7.940 1.00 0.00 H new ATOM 970 N GLU A 59 -14.006 0.784 -4.990 1.00 0.00 N ATOM 971 CA GLU A 59 -12.869 0.320 -4.207 1.00 0.00 C ATOM 972 C GLU A 59 -12.644 1.205 -2.983 1.00 0.00 C ATOM 973 O GLU A 59 -12.341 0.708 -1.901 1.00 0.00 O ATOM 974 CB GLU A 59 -11.607 0.293 -5.069 1.00 0.00 C ATOM 975 CG GLU A 59 -11.415 -1.012 -5.825 1.00 0.00 C ATOM 976 CD GLU A 59 -10.882 -0.800 -7.229 1.00 0.00 C ATOM 977 OE1 GLU A 59 -10.120 0.169 -7.435 1.00 0.00 O ATOM 978 OE2 GLU A 59 -11.227 -1.602 -8.122 1.00 0.00 O ATOM 0 H GLU A 59 -13.766 1.123 -5.922 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.090 -0.690 -3.863 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.648 1.115 -5.784 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.739 0.466 -4.433 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.726 -1.650 -5.271 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.367 -1.540 -5.878 1.00 0.00 H new ATOM 985 N ARG A 60 -12.785 2.517 -3.158 1.00 0.00 N ATOM 986 CA ARG A 60 -12.585 3.454 -2.059 1.00 0.00 C ATOM 987 C ARG A 60 -13.661 3.279 -0.995 1.00 0.00 C ATOM 988 O ARG A 60 -13.367 3.329 0.200 1.00 0.00 O ATOM 989 CB ARG A 60 -12.551 4.903 -2.568 1.00 0.00 C ATOM 990 CG ARG A 60 -13.902 5.453 -2.994 1.00 0.00 C ATOM 991 CD ARG A 60 -14.416 6.509 -2.027 1.00 0.00 C ATOM 992 NE ARG A 60 -15.695 6.127 -1.437 1.00 0.00 N ATOM 993 CZ ARG A 60 -16.769 6.916 -1.392 1.00 0.00 C ATOM 994 NH1 ARG A 60 -16.726 8.147 -1.891 1.00 0.00 N ATOM 995 NH2 ARG A 60 -17.891 6.473 -0.844 1.00 0.00 N ATOM 0 H ARG A 60 -13.036 2.952 -4.046 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.619 3.236 -1.604 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.144 5.541 -1.783 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.866 4.962 -3.414 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -13.820 5.884 -3.992 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -14.622 4.637 -3.057 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.683 6.665 -1.236 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.526 7.459 -2.551 1.00 0.00 H new ATOM 0 HE ARG A 60 -15.773 5.194 -1.032 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.866 8.496 -2.313 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -17.553 8.742 -1.852 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -17.932 5.530 -0.457 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -18.714 7.075 -0.809 1.00 0.00 H new ATOM 1009 N LYS A 61 -14.903 3.051 -1.418 1.00 0.00 N ATOM 1010 CA LYS A 61 -15.981 2.848 -0.462 1.00 0.00 C ATOM 1011 C LYS A 61 -15.704 1.580 0.341 1.00 0.00 C ATOM 1012 O LYS A 61 -15.879 1.551 1.559 1.00 0.00 O ATOM 1013 CB LYS A 61 -17.342 2.782 -1.177 1.00 0.00 C ATOM 1014 CG LYS A 61 -17.817 1.376 -1.520 1.00 0.00 C ATOM 1015 CD LYS A 61 -18.802 1.391 -2.678 1.00 0.00 C ATOM 1016 CE LYS A 61 -20.197 1.790 -2.224 1.00 0.00 C ATOM 1017 NZ LYS A 61 -21.150 0.648 -2.287 1.00 0.00 N ATOM 0 H LYS A 61 -15.181 3.003 -2.398 1.00 0.00 H new ATOM 0 HA LYS A 61 -16.025 3.694 0.224 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -18.091 3.259 -0.546 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -17.282 3.364 -2.096 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -16.960 0.753 -1.777 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -18.287 0.926 -0.646 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -18.455 2.087 -3.442 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -18.838 0.404 -3.138 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -20.152 2.169 -1.203 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -20.564 2.604 -2.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -22.089 0.962 -1.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -21.213 0.302 -3.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -20.814 -0.119 -1.670 1.00 0.00 H new ATOM 1031 N LYS A 62 -15.237 0.547 -0.355 1.00 0.00 N ATOM 1032 CA LYS A 62 -14.893 -0.714 0.284 1.00 0.00 C ATOM 1033 C LYS A 62 -13.661 -0.535 1.167 1.00 0.00 C ATOM 1034 O LYS A 62 -13.538 -1.161 2.218 1.00 0.00 O ATOM 1035 CB LYS A 62 -14.632 -1.794 -0.770 1.00 0.00 C ATOM 1036 CG LYS A 62 -15.850 -2.650 -1.077 1.00 0.00 C ATOM 1037 CD LYS A 62 -16.029 -2.851 -2.575 1.00 0.00 C ATOM 1038 CE LYS A 62 -15.244 -4.053 -3.073 1.00 0.00 C ATOM 1039 NZ LYS A 62 -15.520 -4.343 -4.507 1.00 0.00 N ATOM 0 H LYS A 62 -15.089 0.561 -1.364 1.00 0.00 H new ATOM 0 HA LYS A 62 -15.731 -1.029 0.905 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -14.291 -1.318 -1.690 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.823 -2.438 -0.426 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -15.747 -3.619 -0.589 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -16.741 -2.178 -0.663 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -17.087 -2.987 -2.801 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -15.702 -1.956 -3.105 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.178 -3.871 -2.938 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.497 -4.926 -2.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.965 -5.170 -4.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -16.533 -4.542 -4.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -15.255 -3.520 -5.085 1.00 0.00 H new ATOM 1053 N ILE A 63 -12.749 0.328 0.720 1.00 0.00 N ATOM 1054 CA ILE A 63 -11.518 0.601 1.452 1.00 0.00 C ATOM 1055 C ILE A 63 -11.817 1.150 2.846 1.00 0.00 C ATOM 1056 O ILE A 63 -11.297 0.654 3.842 1.00 0.00 O ATOM 1057 CB ILE A 63 -10.619 1.599 0.682 1.00 0.00 C ATOM 1058 CG1 ILE A 63 -9.905 0.886 -0.468 1.00 0.00 C ATOM 1059 CG2 ILE A 63 -9.600 2.250 1.610 1.00 0.00 C ATOM 1060 CD1 ILE A 63 -9.579 1.794 -1.634 1.00 0.00 C ATOM 0 H ILE A 63 -12.843 0.851 -0.151 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.986 -0.345 1.553 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.256 2.384 0.275 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.982 0.444 -0.093 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -10.531 0.066 -0.821 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.983 2.946 1.042 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.121 2.790 2.401 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.967 1.481 2.052 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -9.074 1.221 -2.411 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -10.500 2.216 -2.035 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.927 2.600 -1.296 1.00 0.00 H new ATOM 1072 N VAL A 64 -12.653 2.178 2.906 1.00 0.00 N ATOM 1073 CA VAL A 64 -13.011 2.795 4.178 1.00 0.00 C ATOM 1074 C VAL A 64 -13.707 1.802 5.107 1.00 0.00 C ATOM 1075 O VAL A 64 -13.390 1.719 6.292 1.00 0.00 O ATOM 1076 CB VAL A 64 -13.925 4.018 3.967 1.00 0.00 C ATOM 1077 CG1 VAL A 64 -14.223 4.705 5.292 1.00 0.00 C ATOM 1078 CG2 VAL A 64 -13.289 4.993 2.986 1.00 0.00 C ATOM 0 H VAL A 64 -13.096 2.602 2.091 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.080 3.119 4.643 1.00 0.00 H new ATOM 0 HB VAL A 64 -14.869 3.672 3.546 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -14.870 5.565 5.119 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -14.723 4.004 5.961 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -13.290 5.038 5.747 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -13.947 5.851 2.848 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -12.330 5.331 3.379 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -13.134 4.496 2.028 1.00 0.00 H new ATOM 1088 N ALA A 65 -14.664 1.058 4.564 1.00 0.00 N ATOM 1089 CA ALA A 65 -15.412 0.084 5.351 1.00 0.00 C ATOM 1090 C ALA A 65 -14.569 -1.142 5.702 1.00 0.00 C ATOM 1091 O ALA A 65 -14.614 -1.631 6.831 1.00 0.00 O ATOM 1092 CB ALA A 65 -16.666 -0.339 4.601 1.00 0.00 C ATOM 0 H ALA A 65 -14.940 1.110 3.583 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.692 0.565 6.288 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -17.218 -1.066 5.196 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -17.294 0.534 4.421 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -16.386 -0.788 3.648 1.00 0.00 H new ATOM 1098 N SER A 66 -13.823 -1.649 4.726 1.00 0.00 N ATOM 1099 CA SER A 66 -12.994 -2.836 4.933 1.00 0.00 C ATOM 1100 C SER A 66 -11.689 -2.514 5.659 1.00 0.00 C ATOM 1101 O SER A 66 -11.346 -3.167 6.645 1.00 0.00 O ATOM 1102 CB SER A 66 -12.685 -3.501 3.590 1.00 0.00 C ATOM 1103 OG SER A 66 -13.871 -3.947 2.957 1.00 0.00 O ATOM 0 H SER A 66 -13.774 -1.259 3.785 1.00 0.00 H new ATOM 0 HA SER A 66 -13.562 -3.519 5.565 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.167 -2.795 2.942 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.012 -4.345 3.745 1.00 0.00 H new ATOM 0 HG SER A 66 -14.273 -3.206 2.457 1.00 0.00 H new ATOM 1109 N SER A 67 -10.955 -1.524 5.163 1.00 0.00 N ATOM 1110 CA SER A 67 -9.679 -1.150 5.769 1.00 0.00 C ATOM 1111 C SER A 67 -9.866 -0.601 7.180 1.00 0.00 C ATOM 1112 O SER A 67 -9.282 -1.116 8.133 1.00 0.00 O ATOM 1113 CB SER A 67 -8.960 -0.114 4.902 1.00 0.00 C ATOM 1114 OG SER A 67 -7.582 -0.047 5.225 1.00 0.00 O ATOM 0 H SER A 67 -11.218 -0.968 4.349 1.00 0.00 H new ATOM 0 HA SER A 67 -9.071 -2.052 5.834 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.078 -0.371 3.849 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.418 0.865 5.044 1.00 0.00 H new ATOM 0 HG SER A 67 -7.145 0.621 4.656 1.00 0.00 H new ATOM 1120 N HIS A 68 -10.681 0.443 7.309 1.00 0.00 N ATOM 1121 CA HIS A 68 -10.938 1.059 8.610 1.00 0.00 C ATOM 1122 C HIS A 68 -11.772 2.326 8.459 1.00 0.00 C ATOM 1123 O HIS A 68 -11.686 3.022 7.446 1.00 0.00 O ATOM 1124 CB HIS A 68 -9.621 1.403 9.310 1.00 0.00 C ATOM 1125 CG HIS A 68 -8.727 2.280 8.491 1.00 0.00 C ATOM 1126 ND1 HIS A 68 -9.087 2.782 7.258 1.00 0.00 N ATOM 1127 CD2 HIS A 68 -7.481 2.748 8.734 1.00 0.00 C ATOM 1128 CE1 HIS A 68 -8.102 3.520 6.780 1.00 0.00 C ATOM 1129 NE2 HIS A 68 -7.115 3.517 7.657 1.00 0.00 N ATOM 0 H HIS A 68 -11.174 0.880 6.531 1.00 0.00 H new ATOM 0 HA HIS A 68 -11.492 0.340 9.213 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -9.839 1.900 10.255 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -9.093 0.480 9.549 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -9.976 2.610 6.788 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -6.884 2.553 9.613 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -8.103 4.038 5.832 1.00 0.00 H new ATOM 1138 N GLY A 69 -12.570 2.627 9.476 1.00 0.00 N ATOM 1139 CA GLY A 69 -13.400 3.816 9.438 1.00 0.00 C ATOM 1140 C GLY A 69 -13.812 4.280 10.821 1.00 0.00 C ATOM 1141 O GLY A 69 -14.649 3.653 11.471 1.00 0.00 O ATOM 0 H GLY A 69 -12.657 2.070 10.326 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.858 4.617 8.936 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.292 3.614 8.845 1.00 0.00 H new ATOM 1145 N LYS A 70 -13.222 5.382 11.273 1.00 0.00 N ATOM 1146 CA LYS A 70 -13.530 5.930 12.589 1.00 0.00 C ATOM 1147 C LYS A 70 -13.180 4.935 13.690 1.00 0.00 C ATOM 1148 O LYS A 70 -13.847 3.913 13.852 1.00 0.00 O ATOM 1149 CB LYS A 70 -15.011 6.305 12.675 1.00 0.00 C ATOM 1150 CG LYS A 70 -15.426 7.378 11.683 1.00 0.00 C ATOM 1151 CD LYS A 70 -14.789 8.719 12.012 1.00 0.00 C ATOM 1152 CE LYS A 70 -15.763 9.637 12.733 1.00 0.00 C ATOM 1153 NZ LYS A 70 -15.724 9.440 14.208 1.00 0.00 N ATOM 0 H LYS A 70 -12.528 5.913 10.747 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.927 6.827 12.731 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -15.613 5.413 12.505 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.231 6.651 13.685 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.138 7.075 10.676 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -16.511 7.479 11.688 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.908 8.561 12.634 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.449 9.197 11.093 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.525 10.675 12.499 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -16.774 9.452 12.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.312 10.163 14.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.089 8.495 14.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.743 9.525 14.544 1.00 0.00 H new ATOM 1167 N LYS A 71 -12.130 5.239 14.444 1.00 0.00 N ATOM 1168 CA LYS A 71 -11.689 4.372 15.531 1.00 0.00 C ATOM 1169 C LYS A 71 -11.545 5.155 16.830 1.00 0.00 C ATOM 1170 O LYS A 71 -11.968 4.700 17.893 1.00 0.00 O ATOM 1171 CB LYS A 71 -10.360 3.705 15.173 1.00 0.00 C ATOM 1172 CG LYS A 71 -10.396 2.944 13.857 1.00 0.00 C ATOM 1173 CD LYS A 71 -10.285 1.443 14.074 1.00 0.00 C ATOM 1174 CE LYS A 71 -11.178 0.672 13.114 1.00 0.00 C ATOM 1175 NZ LYS A 71 -10.900 -0.789 13.150 1.00 0.00 N ATOM 0 H LYS A 71 -11.567 6.081 14.322 1.00 0.00 H new ATOM 0 HA LYS A 71 -12.447 3.602 15.676 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.583 4.467 15.121 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.080 3.019 15.972 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.324 3.168 13.332 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.579 3.281 13.219 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.249 1.131 13.939 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.560 1.202 15.101 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.223 0.849 13.369 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.029 1.045 12.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.529 -1.279 12.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.910 -0.961 12.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.067 -1.151 14.111 1.00 0.00 H new ATOM 1189 N THR A 72 -10.944 6.334 16.736 1.00 0.00 N ATOM 1190 CA THR A 72 -10.740 7.185 17.902 1.00 0.00 C ATOM 1191 C THR A 72 -10.789 8.660 17.515 1.00 0.00 C ATOM 1192 O THR A 72 -10.050 9.106 16.637 1.00 0.00 O ATOM 1193 CB THR A 72 -9.399 6.865 18.566 1.00 0.00 C ATOM 1194 OG1 THR A 72 -8.352 6.879 17.612 1.00 0.00 O ATOM 1195 CG2 THR A 72 -9.379 5.515 19.250 1.00 0.00 C ATOM 0 H THR A 72 -10.589 6.724 15.863 1.00 0.00 H new ATOM 0 HA THR A 72 -11.545 6.986 18.610 1.00 0.00 H new ATOM 0 HB THR A 72 -9.256 7.639 19.320 1.00 0.00 H new ATOM 0 HG1 THR A 72 -8.490 7.620 16.986 1.00 0.00 H new ATOM 0 HG21 THR A 72 -8.400 5.350 19.700 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.144 5.489 20.026 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.578 4.733 18.517 1.00 0.00 H new ATOM 1203 N LYS A 73 -11.662 9.412 18.177 1.00 0.00 N ATOM 1204 CA LYS A 73 -11.806 10.837 17.904 1.00 0.00 C ATOM 1205 C LYS A 73 -12.705 11.502 18.946 1.00 0.00 C ATOM 1206 O LYS A 73 -13.781 10.992 19.261 1.00 0.00 O ATOM 1207 CB LYS A 73 -12.385 11.051 16.503 1.00 0.00 C ATOM 1208 CG LYS A 73 -12.275 12.486 16.013 1.00 0.00 C ATOM 1209 CD LYS A 73 -12.403 12.570 14.500 1.00 0.00 C ATOM 1210 CE LYS A 73 -11.047 12.739 13.834 1.00 0.00 C ATOM 1211 NZ LYS A 73 -11.089 13.748 12.739 1.00 0.00 N ATOM 0 H LYS A 73 -12.281 9.058 18.907 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.818 11.295 17.957 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.869 10.396 15.801 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.434 10.755 16.503 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.053 13.091 16.479 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.317 12.905 16.322 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.884 11.667 14.124 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.047 13.408 14.234 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.312 13.042 14.579 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.718 11.781 13.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.146 13.834 12.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.772 13.447 12.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.379 14.669 13.126 1.00 0.00 H new ATOM 1225 N PRO A 74 -12.279 12.653 19.498 1.00 0.00 N ATOM 1226 CA PRO A 74 -13.058 13.378 20.508 1.00 0.00 C ATOM 1227 C PRO A 74 -14.480 13.668 20.043 1.00 0.00 C ATOM 1228 O PRO A 74 -15.406 13.741 20.851 1.00 0.00 O ATOM 1229 CB PRO A 74 -12.282 14.684 20.693 1.00 0.00 C ATOM 1230 CG PRO A 74 -10.888 14.361 20.279 1.00 0.00 C ATOM 1231 CD PRO A 74 -11.009 13.337 19.185 1.00 0.00 C ATOM 0 HA PRO A 74 -13.168 12.800 21.426 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.701 15.483 20.081 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.319 15.023 21.728 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.370 15.252 19.924 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.312 13.970 21.118 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.035 13.802 18.200 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.168 12.644 19.188 1.00 0.00 H new ATOM 1239 N ASN A 75 -14.646 13.833 18.736 1.00 0.00 N ATOM 1240 CA ASN A 75 -15.956 14.115 18.160 1.00 0.00 C ATOM 1241 C ASN A 75 -16.784 12.839 18.038 1.00 0.00 C ATOM 1242 O ASN A 75 -16.246 11.759 17.789 1.00 0.00 O ATOM 1243 CB ASN A 75 -15.801 14.771 16.786 1.00 0.00 C ATOM 1244 CG ASN A 75 -16.704 15.978 16.618 1.00 0.00 C ATOM 1245 OD1 ASN A 75 -16.767 16.848 17.487 1.00 0.00 O ATOM 1246 ND2 ASN A 75 -17.411 16.036 15.495 1.00 0.00 N ATOM 0 H ASN A 75 -13.889 13.776 18.054 1.00 0.00 H new ATOM 0 HA ASN A 75 -16.478 14.802 18.826 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -14.763 15.074 16.646 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -16.027 14.040 16.010 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -18.037 16.824 15.326 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -17.328 15.293 14.801 1.00 0.00 H new ATOM 1253 N THR A 76 -18.093 12.971 18.215 1.00 0.00 N ATOM 1254 CA THR A 76 -18.996 11.829 18.124 1.00 0.00 C ATOM 1255 C THR A 76 -19.280 11.473 16.670 1.00 0.00 C ATOM 1256 O THR A 76 -18.751 12.100 15.752 1.00 0.00 O ATOM 1257 CB THR A 76 -20.307 12.129 18.854 1.00 0.00 C ATOM 1258 OG1 THR A 76 -20.831 13.381 18.447 1.00 0.00 O ATOM 1259 CG2 THR A 76 -20.160 12.159 20.360 1.00 0.00 C ATOM 0 H THR A 76 -18.553 13.857 18.422 1.00 0.00 H new ATOM 0 HA THR A 76 -18.511 10.976 18.599 1.00 0.00 H new ATOM 0 HB THR A 76 -20.980 11.314 18.588 1.00 0.00 H new ATOM 0 HG1 THR A 76 -21.670 13.555 18.923 1.00 0.00 H new ATOM 0 HG21 THR A 76 -21.126 12.377 20.816 1.00 0.00 H new ATOM 0 HG22 THR A 76 -19.804 11.190 20.710 1.00 0.00 H new ATOM 0 HG23 THR A 76 -19.444 12.932 20.640 1.00 0.00 H new ATOM 1267 N LYS A 77 -20.120 10.463 16.465 1.00 0.00 N ATOM 1268 CA LYS A 77 -20.475 10.023 15.121 1.00 0.00 C ATOM 1269 C LYS A 77 -21.396 11.034 14.444 1.00 0.00 C ATOM 1270 O LYS A 77 -22.124 11.770 15.111 1.00 0.00 O ATOM 1271 CB LYS A 77 -21.153 8.654 15.172 1.00 0.00 C ATOM 1272 CG LYS A 77 -20.246 7.545 15.684 1.00 0.00 C ATOM 1273 CD LYS A 77 -19.478 6.883 14.549 1.00 0.00 C ATOM 1274 CE LYS A 77 -19.949 5.456 14.314 1.00 0.00 C ATOM 1275 NZ LYS A 77 -19.190 4.794 13.218 1.00 0.00 N ATOM 0 H LYS A 77 -20.568 9.934 17.213 1.00 0.00 H new ATOM 0 HA LYS A 77 -19.558 9.945 14.537 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -22.033 8.717 15.812 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -21.503 8.394 14.173 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -19.543 7.954 16.410 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -20.843 6.797 16.205 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -19.605 7.464 13.635 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -18.413 6.882 14.781 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -19.836 4.881 15.233 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -21.011 5.460 14.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -19.541 3.824 13.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -19.318 5.328 12.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -18.180 4.767 13.463 1.00 0.00 H new ATOM 1289 N ASP A 78 -21.357 11.064 13.116 1.00 0.00 N ATOM 1290 CA ASP A 78 -22.188 11.985 12.349 1.00 0.00 C ATOM 1291 C ASP A 78 -22.504 11.414 10.970 1.00 0.00 C ATOM 1292 O ASP A 78 -23.668 11.219 10.619 1.00 0.00 O ATOM 1293 CB ASP A 78 -21.488 13.337 12.204 1.00 0.00 C ATOM 1294 CG ASP A 78 -22.446 14.445 11.812 1.00 0.00 C ATOM 1295 OD1 ASP A 78 -22.678 14.627 10.598 1.00 0.00 O ATOM 1296 OD2 ASP A 78 -22.964 15.131 12.718 1.00 0.00 O ATOM 0 H ASP A 78 -20.760 10.462 12.549 1.00 0.00 H new ATOM 0 HA ASP A 78 -23.125 12.124 12.889 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -21.004 13.595 13.146 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -20.702 13.257 11.453 1.00 0.00 H new ATOM 1301 N HIS A 79 -21.460 11.146 10.192 1.00 0.00 N ATOM 1302 CA HIS A 79 -21.626 10.598 8.852 1.00 0.00 C ATOM 1303 C HIS A 79 -20.743 9.370 8.652 1.00 0.00 C ATOM 1304 O HIS A 79 -21.197 8.340 8.154 1.00 0.00 O ATOM 1305 CB HIS A 79 -21.292 11.656 7.799 1.00 0.00 C ATOM 1306 CG HIS A 79 -22.386 12.657 7.588 1.00 0.00 C ATOM 1307 ND1 HIS A 79 -22.448 13.976 7.885 1.00 0.00 N flip ATOM 1308 CD2 HIS A 79 -23.595 12.338 7.007 1.00 0.00 C flip ATOM 1309 CE1 HIS A 79 -23.682 14.426 7.481 1.00 0.00 C flip ATOM 1310 NE2 HIS A 79 -24.354 13.419 6.954 1.00 0.00 N flip ATOM 0 H HIS A 79 -20.490 11.300 10.467 1.00 0.00 H new ATOM 0 HA HIS A 79 -22.667 10.298 8.738 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -20.384 12.180 8.097 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -21.077 11.160 6.853 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -23.878 11.358 6.651 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -24.043 15.439 7.579 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -25.298 13.467 6.571 1.00 0.00 H new ATOM 1319 N GLY A 80 -19.479 9.487 9.046 1.00 0.00 N ATOM 1320 CA GLY A 80 -18.552 8.380 8.902 1.00 0.00 C ATOM 1321 C GLY A 80 -17.140 8.841 8.603 1.00 0.00 C ATOM 1322 O GLY A 80 -16.327 9.007 9.513 1.00 0.00 O ATOM 0 H GLY A 80 -19.080 10.329 9.462 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -18.552 7.789 9.818 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -18.894 7.725 8.101 1.00 0.00 H new ATOM 1326 N TYR A 81 -16.846 9.049 7.323 1.00 0.00 N ATOM 1327 CA TYR A 81 -15.522 9.494 6.906 1.00 0.00 C ATOM 1328 C TYR A 81 -15.624 10.615 5.876 1.00 0.00 C ATOM 1329 O TYR A 81 -16.631 10.742 5.180 1.00 0.00 O ATOM 1330 CB TYR A 81 -14.726 8.322 6.329 1.00 0.00 C ATOM 1331 CG TYR A 81 -13.315 8.226 6.865 1.00 0.00 C ATOM 1332 CD1 TYR A 81 -12.990 7.305 7.853 1.00 0.00 C ATOM 1333 CD2 TYR A 81 -12.310 9.054 6.383 1.00 0.00 C ATOM 1334 CE1 TYR A 81 -11.701 7.214 8.347 1.00 0.00 C ATOM 1335 CE2 TYR A 81 -11.019 8.969 6.871 1.00 0.00 C ATOM 1336 CZ TYR A 81 -10.721 8.048 7.852 1.00 0.00 C ATOM 1337 OH TYR A 81 -9.437 7.959 8.341 1.00 0.00 O ATOM 0 H TYR A 81 -17.507 8.916 6.558 1.00 0.00 H new ATOM 0 HA TYR A 81 -15.002 9.879 7.783 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -15.253 7.393 6.548 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -14.688 8.419 5.244 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -13.756 6.650 8.241 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.540 9.777 5.614 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -11.464 6.494 9.116 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.249 9.621 6.486 1.00 0.00 H new ATOM 0 HH TYR A 81 -8.868 8.615 7.887 1.00 0.00 H new ATOM 1347 N THR A 82 -14.574 11.425 5.784 1.00 0.00 N ATOM 1348 CA THR A 82 -14.546 12.536 4.839 1.00 0.00 C ATOM 1349 C THR A 82 -13.309 12.467 3.952 1.00 0.00 C ATOM 1350 O THR A 82 -13.386 12.681 2.742 1.00 0.00 O ATOM 1351 CB THR A 82 -14.578 13.870 5.586 1.00 0.00 C ATOM 1352 OG1 THR A 82 -15.546 13.842 6.621 1.00 0.00 O ATOM 1353 CG2 THR A 82 -14.897 15.049 4.693 1.00 0.00 C ATOM 0 H THR A 82 -13.732 11.333 6.352 1.00 0.00 H new ATOM 0 HA THR A 82 -15.429 12.461 4.205 1.00 0.00 H new ATOM 0 HB THR A 82 -13.573 14.000 5.987 1.00 0.00 H new ATOM 0 HG1 THR A 82 -15.550 14.703 7.088 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.904 15.963 5.286 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.141 15.129 3.912 1.00 0.00 H new ATOM 0 HG23 THR A 82 -15.876 14.905 4.237 1.00 0.00 H new ATOM 1361 N THR A 83 -12.169 12.167 4.563 1.00 0.00 N ATOM 1362 CA THR A 83 -10.911 12.069 3.832 1.00 0.00 C ATOM 1363 C THR A 83 -10.709 10.660 3.284 1.00 0.00 C ATOM 1364 O THR A 83 -11.379 9.717 3.704 1.00 0.00 O ATOM 1365 CB THR A 83 -9.739 12.450 4.739 1.00 0.00 C ATOM 1366 OG1 THR A 83 -10.042 12.167 6.094 1.00 0.00 O ATOM 1367 CG2 THR A 83 -9.364 13.914 4.647 1.00 0.00 C ATOM 0 H THR A 83 -12.090 11.987 5.564 1.00 0.00 H new ATOM 0 HA THR A 83 -10.952 12.763 2.993 1.00 0.00 H new ATOM 0 HB THR A 83 -8.896 11.853 4.390 1.00 0.00 H new ATOM 0 HG1 THR A 83 -9.280 12.416 6.658 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.527 14.118 5.314 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.078 14.153 3.623 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.217 14.527 4.938 1.00 0.00 H new ATOM 1375 N LEU A 84 -9.780 10.526 2.342 1.00 0.00 N ATOM 1376 CA LEU A 84 -9.489 9.232 1.737 1.00 0.00 C ATOM 1377 C LEU A 84 -10.726 8.661 1.053 1.00 0.00 C ATOM 1378 O LEU A 84 -11.511 7.941 1.670 1.00 0.00 O ATOM 1379 CB LEU A 84 -8.978 8.252 2.794 1.00 0.00 C ATOM 1380 CG LEU A 84 -8.724 6.828 2.289 1.00 0.00 C ATOM 1381 CD1 LEU A 84 -7.232 6.534 2.243 1.00 0.00 C ATOM 1382 CD2 LEU A 84 -9.441 5.813 3.167 1.00 0.00 C ATOM 0 H LEU A 84 -9.217 11.297 1.982 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.714 9.378 0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.051 8.644 3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -9.702 8.209 3.608 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.121 6.748 1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.072 5.518 1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.743 7.239 1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.810 6.634 3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.249 4.808 2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.076 5.895 4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -10.513 6.008 3.148 1.00 0.00 H new ATOM 1394 N ALA A 85 -10.893 8.983 -0.226 1.00 0.00 N ATOM 1395 CA ALA A 85 -12.036 8.497 -0.991 1.00 0.00 C ATOM 1396 C ALA A 85 -11.976 8.967 -2.441 1.00 0.00 C ATOM 1397 O ALA A 85 -12.381 8.246 -3.353 1.00 0.00 O ATOM 1398 CB ALA A 85 -13.338 8.943 -0.342 1.00 0.00 C ATOM 0 H ALA A 85 -10.253 9.577 -0.753 1.00 0.00 H new ATOM 0 HA ALA A 85 -11.998 7.408 -0.991 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -14.181 8.572 -0.925 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -13.395 8.545 0.671 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.373 10.032 -0.306 1.00 0.00 H new ATOM 1404 N THR A 86 -11.469 10.176 -2.650 1.00 0.00 N ATOM 1405 CA THR A 86 -11.358 10.733 -3.992 1.00 0.00 C ATOM 1406 C THR A 86 -10.261 10.023 -4.777 1.00 0.00 C ATOM 1407 O THR A 86 -10.369 9.839 -5.989 1.00 0.00 O ATOM 1408 CB THR A 86 -11.066 12.233 -3.926 1.00 0.00 C ATOM 1409 OG1 THR A 86 -11.500 12.774 -2.691 1.00 0.00 O ATOM 1410 CG2 THR A 86 -11.732 13.022 -5.031 1.00 0.00 C ATOM 0 H THR A 86 -11.129 10.788 -1.909 1.00 0.00 H new ATOM 0 HA THR A 86 -12.309 10.582 -4.504 1.00 0.00 H new ATOM 0 HB THR A 86 -9.986 12.322 -4.039 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.303 13.734 -2.667 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.483 14.078 -4.925 1.00 0.00 H new ATOM 0 HG22 THR A 86 -11.380 12.662 -5.998 1.00 0.00 H new ATOM 0 HG23 THR A 86 -12.813 12.896 -4.968 1.00 0.00 H new ATOM 1418 N SER A 87 -9.210 9.618 -4.073 1.00 0.00 N ATOM 1419 CA SER A 87 -8.095 8.919 -4.697 1.00 0.00 C ATOM 1420 C SER A 87 -7.301 8.132 -3.662 1.00 0.00 C ATOM 1421 O SER A 87 -6.559 8.706 -2.863 1.00 0.00 O ATOM 1422 CB SER A 87 -7.178 9.906 -5.418 1.00 0.00 C ATOM 1423 OG SER A 87 -6.826 10.987 -4.575 1.00 0.00 O ATOM 0 H SER A 87 -9.108 9.762 -3.068 1.00 0.00 H new ATOM 0 HA SER A 87 -8.503 8.220 -5.427 1.00 0.00 H new ATOM 0 HB2 SER A 87 -6.276 9.392 -5.751 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.677 10.285 -6.310 1.00 0.00 H new ATOM 0 HG SER A 87 -6.619 10.649 -3.679 1.00 0.00 H new ATOM 1429 N VAL A 88 -7.459 6.815 -3.686 1.00 0.00 N ATOM 1430 CA VAL A 88 -6.756 5.942 -2.754 1.00 0.00 C ATOM 1431 C VAL A 88 -5.730 5.086 -3.486 1.00 0.00 C ATOM 1432 O VAL A 88 -6.060 4.392 -4.448 1.00 0.00 O ATOM 1433 CB VAL A 88 -7.734 5.022 -1.994 1.00 0.00 C ATOM 1434 CG1 VAL A 88 -7.000 4.205 -0.940 1.00 0.00 C ATOM 1435 CG2 VAL A 88 -8.851 5.838 -1.360 1.00 0.00 C ATOM 0 H VAL A 88 -8.069 6.327 -4.342 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.248 6.584 -2.034 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.178 4.330 -2.710 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.710 3.564 -0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.241 3.589 -1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.523 4.877 -0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.531 5.172 -0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.425 6.556 -0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.399 6.371 -2.137 1.00 0.00 H new ATOM 1445 N THR A 89 -4.484 5.141 -3.028 1.00 0.00 N ATOM 1446 CA THR A 89 -3.412 4.370 -3.643 1.00 0.00 C ATOM 1447 C THR A 89 -3.277 3.006 -2.978 1.00 0.00 C ATOM 1448 O THR A 89 -2.945 2.910 -1.796 1.00 0.00 O ATOM 1449 CB THR A 89 -2.088 5.131 -3.547 1.00 0.00 C ATOM 1450 OG1 THR A 89 -1.890 5.629 -2.235 1.00 0.00 O ATOM 1451 CG2 THR A 89 -2.000 6.302 -4.501 1.00 0.00 C ATOM 0 H THR A 89 -4.193 5.711 -2.234 1.00 0.00 H new ATOM 0 HA THR A 89 -3.661 4.220 -4.694 1.00 0.00 H new ATOM 0 HB THR A 89 -1.319 4.407 -3.815 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.257 4.994 -1.585 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.037 6.797 -4.381 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.099 5.945 -5.526 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.801 7.009 -4.284 1.00 0.00 H new ATOM 1459 N LEU A 90 -3.540 1.954 -3.743 1.00 0.00 N ATOM 1460 CA LEU A 90 -3.452 0.594 -3.225 1.00 0.00 C ATOM 1461 C LEU A 90 -2.108 -0.037 -3.570 1.00 0.00 C ATOM 1462 O LEU A 90 -1.548 0.209 -4.639 1.00 0.00 O ATOM 1463 CB LEU A 90 -4.584 -0.267 -3.787 1.00 0.00 C ATOM 1464 CG LEU A 90 -5.988 0.316 -3.623 1.00 0.00 C ATOM 1465 CD1 LEU A 90 -6.373 1.125 -4.851 1.00 0.00 C ATOM 1466 CD2 LEU A 90 -7.000 -0.792 -3.376 1.00 0.00 C ATOM 0 H LEU A 90 -3.816 2.016 -4.723 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.545 0.644 -2.140 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.399 -0.435 -4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.554 -1.242 -3.300 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.987 0.980 -2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.375 1.533 -4.718 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.664 1.941 -4.986 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.357 0.481 -5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.994 -0.358 -3.262 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.999 -1.480 -4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.733 -1.332 -2.468 1.00 0.00 H new ATOM 1478 N LEU A 91 -1.603 -0.857 -2.655 1.00 0.00 N ATOM 1479 CA LEU A 91 -0.329 -1.539 -2.851 1.00 0.00 C ATOM 1480 C LEU A 91 -0.447 -3.007 -2.453 1.00 0.00 C ATOM 1481 O LEU A 91 -1.229 -3.351 -1.569 1.00 0.00 O ATOM 1482 CB LEU A 91 0.755 -0.856 -2.024 1.00 0.00 C ATOM 1483 CG LEU A 91 1.603 0.169 -2.780 1.00 0.00 C ATOM 1484 CD1 LEU A 91 0.869 1.497 -2.881 1.00 0.00 C ATOM 1485 CD2 LEU A 91 2.949 0.352 -2.096 1.00 0.00 C ATOM 0 H LEU A 91 -2.059 -1.066 -1.767 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.059 -1.486 -3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.284 -0.359 -1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.416 -1.622 -1.618 1.00 0.00 H new ATOM 0 HG LEU A 91 1.778 -0.203 -3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.487 2.214 -3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.071 1.354 -3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.664 1.877 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.540 1.084 -2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.794 0.703 -1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.479 -0.600 -2.075 1.00 0.00 H new ATOM 1497 N LYS A 92 0.323 -3.873 -3.106 1.00 0.00 N ATOM 1498 CA LYS A 92 0.278 -5.300 -2.803 1.00 0.00 C ATOM 1499 C LYS A 92 0.864 -5.583 -1.423 1.00 0.00 C ATOM 1500 O LYS A 92 2.027 -5.271 -1.149 1.00 0.00 O ATOM 1501 CB LYS A 92 1.043 -6.096 -3.865 1.00 0.00 C ATOM 1502 CG LYS A 92 0.428 -6.012 -5.249 1.00 0.00 C ATOM 1503 CD LYS A 92 -0.617 -7.094 -5.473 1.00 0.00 C ATOM 1504 CE LYS A 92 -0.329 -7.896 -6.732 1.00 0.00 C ATOM 1505 NZ LYS A 92 -1.140 -9.143 -6.794 1.00 0.00 N ATOM 0 H LYS A 92 0.980 -3.615 -3.842 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.767 -5.611 -2.807 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.069 -5.732 -3.910 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.089 -7.141 -3.560 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -0.030 -5.032 -5.384 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.212 -6.104 -6.001 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.640 -7.762 -4.612 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.604 -6.638 -5.549 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.538 -7.283 -7.609 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.730 -8.150 -6.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.914 -9.661 -7.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.922 -9.740 -5.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.151 -8.900 -6.787 1.00 0.00 H new ATOM 1519 N ALA A 93 0.052 -6.192 -0.561 1.00 0.00 N ATOM 1520 CA ALA A 93 0.482 -6.531 0.791 1.00 0.00 C ATOM 1521 C ALA A 93 1.787 -7.316 0.760 1.00 0.00 C ATOM 1522 O ALA A 93 2.619 -7.200 1.661 1.00 0.00 O ATOM 1523 CB ALA A 93 -0.599 -7.329 1.503 1.00 0.00 C ATOM 0 H ALA A 93 -0.908 -6.460 -0.777 1.00 0.00 H new ATOM 0 HA ALA A 93 0.653 -5.605 1.340 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.265 -7.575 2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.512 -6.736 1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.796 -8.248 0.951 1.00 0.00 H new ATOM 1529 N SER A 94 1.955 -8.115 -0.287 1.00 0.00 N ATOM 1530 CA SER A 94 3.155 -8.924 -0.449 1.00 0.00 C ATOM 1531 C SER A 94 4.387 -8.043 -0.635 1.00 0.00 C ATOM 1532 O SER A 94 5.445 -8.318 -0.070 1.00 0.00 O ATOM 1533 CB SER A 94 3.001 -9.867 -1.644 1.00 0.00 C ATOM 1534 OG SER A 94 3.463 -11.169 -1.329 1.00 0.00 O ATOM 0 H SER A 94 1.273 -8.219 -1.038 1.00 0.00 H new ATOM 0 HA SER A 94 3.289 -9.515 0.457 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.954 -9.912 -1.943 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.559 -9.476 -2.494 1.00 0.00 H new ATOM 0 HG SER A 94 3.352 -11.753 -2.108 1.00 0.00 H new ATOM 1540 N GLU A 95 4.244 -6.980 -1.422 1.00 0.00 N ATOM 1541 CA GLU A 95 5.358 -6.070 -1.665 1.00 0.00 C ATOM 1542 C GLU A 95 5.736 -5.347 -0.381 1.00 0.00 C ATOM 1543 O GLU A 95 6.908 -5.303 0.004 1.00 0.00 O ATOM 1544 CB GLU A 95 4.997 -5.052 -2.748 1.00 0.00 C ATOM 1545 CG GLU A 95 4.460 -5.678 -4.024 1.00 0.00 C ATOM 1546 CD GLU A 95 5.547 -5.961 -5.042 1.00 0.00 C ATOM 1547 OE1 GLU A 95 5.809 -5.082 -5.889 1.00 0.00 O ATOM 1548 OE2 GLU A 95 6.134 -7.062 -4.993 1.00 0.00 O ATOM 0 H GLU A 95 3.377 -6.730 -1.898 1.00 0.00 H new ATOM 0 HA GLU A 95 6.210 -6.657 -2.008 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.252 -4.362 -2.351 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.881 -4.462 -2.988 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.947 -6.608 -3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.719 -5.012 -4.466 1.00 0.00 H new ATOM 1555 N VAL A 96 4.733 -4.792 0.288 1.00 0.00 N ATOM 1556 CA VAL A 96 4.958 -4.083 1.537 1.00 0.00 C ATOM 1557 C VAL A 96 5.517 -5.025 2.593 1.00 0.00 C ATOM 1558 O VAL A 96 6.407 -4.660 3.358 1.00 0.00 O ATOM 1559 CB VAL A 96 3.659 -3.446 2.072 1.00 0.00 C ATOM 1560 CG1 VAL A 96 3.954 -2.562 3.273 1.00 0.00 C ATOM 1561 CG2 VAL A 96 2.954 -2.655 0.979 1.00 0.00 C ATOM 0 H VAL A 96 3.759 -4.820 -0.014 1.00 0.00 H new ATOM 0 HA VAL A 96 5.677 -3.290 1.329 1.00 0.00 H new ATOM 0 HB VAL A 96 2.992 -4.247 2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.026 -2.121 3.637 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.406 -3.161 4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.642 -1.769 2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 96 2.041 -2.215 1.380 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.612 -1.863 0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.704 -3.320 0.152 1.00 0.00 H new ATOM 1571 N GLU A 97 4.990 -6.243 2.619 1.00 0.00 N ATOM 1572 CA GLU A 97 5.432 -7.248 3.578 1.00 0.00 C ATOM 1573 C GLU A 97 6.924 -7.514 3.434 1.00 0.00 C ATOM 1574 O GLU A 97 7.651 -7.580 4.425 1.00 0.00 O ATOM 1575 CB GLU A 97 4.646 -8.547 3.388 1.00 0.00 C ATOM 1576 CG GLU A 97 3.435 -8.663 4.300 1.00 0.00 C ATOM 1577 CD GLU A 97 3.733 -9.441 5.567 1.00 0.00 C ATOM 1578 OE1 GLU A 97 4.139 -8.813 6.568 1.00 0.00 O ATOM 1579 OE2 GLU A 97 3.560 -10.678 5.558 1.00 0.00 O ATOM 0 H GLU A 97 4.255 -6.559 1.986 1.00 0.00 H new ATOM 0 HA GLU A 97 5.245 -6.865 4.581 1.00 0.00 H new ATOM 0 HB2 GLU A 97 4.318 -8.615 2.351 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.309 -9.393 3.569 1.00 0.00 H new ATOM 0 HG2 GLU A 97 3.087 -7.665 4.564 1.00 0.00 H new ATOM 0 HG3 GLU A 97 2.624 -9.151 3.760 1.00 0.00 H new ATOM 1586 N GLU A 98 7.376 -7.665 2.195 1.00 0.00 N ATOM 1587 CA GLU A 98 8.784 -7.923 1.933 1.00 0.00 C ATOM 1588 C GLU A 98 9.642 -6.757 2.412 1.00 0.00 C ATOM 1589 O GLU A 98 10.634 -6.946 3.122 1.00 0.00 O ATOM 1590 CB GLU A 98 9.005 -8.128 0.437 1.00 0.00 C ATOM 1591 CG GLU A 98 8.158 -9.228 -0.172 1.00 0.00 C ATOM 1592 CD GLU A 98 8.894 -10.551 -0.259 1.00 0.00 C ATOM 1593 OE1 GLU A 98 8.836 -11.328 0.717 1.00 0.00 O ATOM 1594 OE2 GLU A 98 9.528 -10.810 -1.303 1.00 0.00 O ATOM 0 H GLU A 98 6.791 -7.613 1.361 1.00 0.00 H new ATOM 0 HA GLU A 98 9.074 -8.823 2.475 1.00 0.00 H new ATOM 0 HB2 GLU A 98 8.793 -7.193 -0.081 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.057 -8.357 0.265 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.255 -9.358 0.424 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.841 -8.927 -1.170 1.00 0.00 H new ATOM 1601 N ILE A 99 9.245 -5.544 2.041 1.00 0.00 N ATOM 1602 CA ILE A 99 9.984 -4.359 2.451 1.00 0.00 C ATOM 1603 C ILE A 99 9.977 -4.249 3.967 1.00 0.00 C ATOM 1604 O ILE A 99 10.983 -3.898 4.582 1.00 0.00 O ATOM 1605 CB ILE A 99 9.418 -3.063 1.833 1.00 0.00 C ATOM 1606 CG1 ILE A 99 9.108 -3.256 0.346 1.00 0.00 C ATOM 1607 CG2 ILE A 99 10.411 -1.923 2.015 1.00 0.00 C ATOM 1608 CD1 ILE A 99 7.925 -2.445 -0.132 1.00 0.00 C ATOM 0 H ILE A 99 8.425 -5.358 1.464 1.00 0.00 H new ATOM 0 HA ILE A 99 11.004 -4.473 2.085 1.00 0.00 H new ATOM 0 HB ILE A 99 8.489 -2.816 2.347 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.986 -2.983 -0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.915 -4.312 0.157 1.00 0.00 H new ATOM 0 HG21 ILE A 99 10.004 -1.012 1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.592 -1.764 3.078 1.00 0.00 H new ATOM 0 HG23 ILE A 99 11.349 -2.176 1.521 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.762 -2.630 -1.194 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.035 -2.735 0.427 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.123 -1.385 0.025 1.00 0.00 H new ATOM 1620 N LEU A 100 8.836 -4.578 4.562 1.00 0.00 N ATOM 1621 CA LEU A 100 8.698 -4.541 6.012 1.00 0.00 C ATOM 1622 C LEU A 100 9.593 -5.599 6.646 1.00 0.00 C ATOM 1623 O LEU A 100 10.171 -5.384 7.712 1.00 0.00 O ATOM 1624 CB LEU A 100 7.243 -4.779 6.423 1.00 0.00 C ATOM 1625 CG LEU A 100 6.275 -3.628 6.131 1.00 0.00 C ATOM 1626 CD1 LEU A 100 5.017 -3.784 6.967 1.00 0.00 C ATOM 1627 CD2 LEU A 100 6.931 -2.280 6.396 1.00 0.00 C ATOM 0 H LEU A 100 7.996 -4.872 4.064 1.00 0.00 H new ATOM 0 HA LEU A 100 9.001 -3.554 6.362 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.882 -5.672 5.913 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.216 -4.990 7.492 1.00 0.00 H new ATOM 0 HG LEU A 100 6.005 -3.664 5.076 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.334 -2.962 6.754 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.533 -4.730 6.724 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.279 -3.772 8.025 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.221 -1.481 6.180 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.235 -2.223 7.441 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.807 -2.170 5.756 1.00 0.00 H new ATOM 1639 N ASP A 101 9.716 -6.737 5.968 1.00 0.00 N ATOM 1640 CA ASP A 101 10.556 -7.828 6.448 1.00 0.00 C ATOM 1641 C ASP A 101 12.026 -7.524 6.168 1.00 0.00 C ATOM 1642 O ASP A 101 12.922 -8.180 6.698 1.00 0.00 O ATOM 1643 CB ASP A 101 10.156 -9.145 5.780 1.00 0.00 C ATOM 1644 CG ASP A 101 9.249 -9.986 6.657 1.00 0.00 C ATOM 1645 OD1 ASP A 101 8.099 -9.563 6.900 1.00 0.00 O ATOM 1646 OD2 ASP A 101 9.688 -11.067 7.101 1.00 0.00 O ATOM 0 H ASP A 101 9.244 -6.927 5.084 1.00 0.00 H new ATOM 0 HA ASP A 101 10.414 -7.926 7.524 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.651 -8.933 4.838 1.00 0.00 H new ATOM 0 HB3 ASP A 101 11.054 -9.714 5.539 1.00 0.00 H new ATOM 1651 N GLY A 102 12.258 -6.517 5.330 1.00 0.00 N ATOM 1652 CA GLY A 102 13.609 -6.121 4.979 1.00 0.00 C ATOM 1653 C GLY A 102 14.035 -6.642 3.623 1.00 0.00 C ATOM 1654 O GLY A 102 15.167 -6.420 3.194 1.00 0.00 O ATOM 0 H GLY A 102 11.526 -5.964 4.885 1.00 0.00 H new ATOM 0 HA2 GLY A 102 13.678 -5.033 4.984 1.00 0.00 H new ATOM 0 HA3 GLY A 102 14.300 -6.487 5.738 1.00 0.00 H new ATOM 1658 N ASN A 103 13.116 -7.301 2.929 1.00 0.00 N ATOM 1659 CA ASN A 103 13.391 -7.811 1.595 1.00 0.00 C ATOM 1660 C ASN A 103 12.715 -6.919 0.563 1.00 0.00 C ATOM 1661 O ASN A 103 11.491 -6.883 0.476 1.00 0.00 O ATOM 1662 CB ASN A 103 12.894 -9.251 1.456 1.00 0.00 C ATOM 1663 CG ASN A 103 13.291 -9.874 0.131 1.00 0.00 C ATOM 1664 OD1 ASN A 103 14.351 -10.490 0.016 1.00 0.00 O ATOM 1665 ND2 ASN A 103 12.441 -9.715 -0.875 1.00 0.00 N ATOM 0 H ASN A 103 12.174 -7.494 3.269 1.00 0.00 H new ATOM 0 HA ASN A 103 14.468 -7.806 1.428 1.00 0.00 H new ATOM 0 HB2 ASN A 103 13.296 -9.852 2.272 1.00 0.00 H new ATOM 0 HB3 ASN A 103 11.808 -9.269 1.552 1.00 0.00 H new ATOM 0 HD21 ASN A 103 12.654 -10.111 -1.790 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.574 -9.197 -0.733 1.00 0.00 H new ATOM 1672 N ASP A 104 13.504 -6.185 -0.207 1.00 0.00 N ATOM 1673 CA ASP A 104 12.935 -5.291 -1.210 1.00 0.00 C ATOM 1674 C ASP A 104 13.965 -4.837 -2.240 1.00 0.00 C ATOM 1675 O ASP A 104 13.718 -3.897 -2.994 1.00 0.00 O ATOM 1676 CB ASP A 104 12.319 -4.072 -0.522 1.00 0.00 C ATOM 1677 CG ASP A 104 13.302 -3.362 0.390 1.00 0.00 C ATOM 1678 OD1 ASP A 104 13.294 -2.113 0.416 1.00 0.00 O ATOM 1679 OD2 ASP A 104 14.080 -4.054 1.080 1.00 0.00 O ATOM 0 H ASP A 104 14.523 -6.188 -0.161 1.00 0.00 H new ATOM 0 HA ASP A 104 12.167 -5.850 -1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.961 -3.374 -1.279 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.451 -4.386 0.058 1.00 0.00 H new ATOM 1684 N GLU A 105 15.112 -5.505 -2.279 1.00 0.00 N ATOM 1685 CA GLU A 105 16.171 -5.159 -3.222 1.00 0.00 C ATOM 1686 C GLU A 105 15.643 -5.136 -4.651 1.00 0.00 C ATOM 1687 O GLU A 105 15.964 -4.238 -5.429 1.00 0.00 O ATOM 1688 CB GLU A 105 17.328 -6.153 -3.110 1.00 0.00 C ATOM 1689 CG GLU A 105 18.326 -5.803 -2.017 1.00 0.00 C ATOM 1690 CD GLU A 105 19.400 -6.860 -1.848 1.00 0.00 C ATOM 1691 OE1 GLU A 105 20.568 -6.580 -2.191 1.00 0.00 O ATOM 1692 OE2 GLU A 105 19.073 -7.969 -1.375 1.00 0.00 O ATOM 0 H GLU A 105 15.333 -6.291 -1.668 1.00 0.00 H new ATOM 0 HA GLU A 105 16.532 -4.161 -2.972 1.00 0.00 H new ATOM 0 HB2 GLU A 105 16.925 -7.147 -2.918 1.00 0.00 H new ATOM 0 HB3 GLU A 105 17.850 -6.200 -4.066 1.00 0.00 H new ATOM 0 HG2 GLU A 105 18.795 -4.848 -2.251 1.00 0.00 H new ATOM 0 HG3 GLU A 105 17.796 -5.675 -1.073 1.00 0.00 H new ATOM 1699 N LYS A 106 14.829 -6.127 -4.986 1.00 0.00 N ATOM 1700 CA LYS A 106 14.250 -6.220 -6.319 1.00 0.00 C ATOM 1701 C LYS A 106 13.345 -5.024 -6.596 1.00 0.00 C ATOM 1702 O LYS A 106 13.201 -4.594 -7.740 1.00 0.00 O ATOM 1703 CB LYS A 106 13.458 -7.521 -6.466 1.00 0.00 C ATOM 1704 CG LYS A 106 12.259 -7.610 -5.536 1.00 0.00 C ATOM 1705 CD LYS A 106 11.518 -8.926 -5.707 1.00 0.00 C ATOM 1706 CE LYS A 106 10.405 -8.810 -6.737 1.00 0.00 C ATOM 1707 NZ LYS A 106 10.197 -10.085 -7.477 1.00 0.00 N ATOM 0 H LYS A 106 14.554 -6.878 -4.353 1.00 0.00 H new ATOM 0 HA LYS A 106 15.063 -6.218 -7.045 1.00 0.00 H new ATOM 0 HB2 LYS A 106 13.116 -7.614 -7.497 1.00 0.00 H new ATOM 0 HB3 LYS A 106 14.121 -8.364 -6.273 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.591 -7.510 -4.503 1.00 0.00 H new ATOM 0 HG3 LYS A 106 11.580 -6.781 -5.735 1.00 0.00 H new ATOM 0 HD2 LYS A 106 12.219 -9.702 -6.013 1.00 0.00 H new ATOM 0 HD3 LYS A 106 11.098 -9.235 -4.750 1.00 0.00 H new ATOM 0 HE2 LYS A 106 9.478 -8.524 -6.239 1.00 0.00 H new ATOM 0 HE3 LYS A 106 10.646 -8.016 -7.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 9.430 -9.964 -8.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 11.073 -10.345 -7.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 9.942 -10.838 -6.806 1.00 0.00 H new ATOM 1721 N TYR A 107 12.734 -4.495 -5.541 1.00 0.00 N ATOM 1722 CA TYR A 107 11.844 -3.356 -5.665 1.00 0.00 C ATOM 1723 C TYR A 107 12.626 -2.048 -5.769 1.00 0.00 C ATOM 1724 O TYR A 107 12.321 -1.199 -6.606 1.00 0.00 O ATOM 1725 CB TYR A 107 10.908 -3.297 -4.463 1.00 0.00 C ATOM 1726 CG TYR A 107 10.162 -4.581 -4.187 1.00 0.00 C ATOM 1727 CD1 TYR A 107 10.142 -5.129 -2.912 1.00 0.00 C ATOM 1728 CD2 TYR A 107 9.470 -5.237 -5.195 1.00 0.00 C ATOM 1729 CE1 TYR A 107 9.454 -6.294 -2.647 1.00 0.00 C ATOM 1730 CE2 TYR A 107 8.780 -6.406 -4.939 1.00 0.00 C ATOM 1731 CZ TYR A 107 8.773 -6.931 -3.663 1.00 0.00 C ATOM 1732 OH TYR A 107 8.085 -8.094 -3.403 1.00 0.00 O ATOM 0 H TYR A 107 12.843 -4.842 -4.588 1.00 0.00 H new ATOM 0 HA TYR A 107 11.264 -3.481 -6.579 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.488 -3.031 -3.579 1.00 0.00 H new ATOM 0 HB3 TYR A 107 10.184 -2.498 -4.621 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.675 -4.634 -2.113 1.00 0.00 H new ATOM 0 HD2 TYR A 107 9.471 -4.828 -6.194 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.448 -6.706 -1.649 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.248 -6.907 -5.734 1.00 0.00 H new ATOM 0 HH TYR A 107 7.230 -8.082 -3.882 1.00 0.00 H new ATOM 1742 N LYS A 108 13.630 -1.889 -4.910 1.00 0.00 N ATOM 1743 CA LYS A 108 14.445 -0.673 -4.908 1.00 0.00 C ATOM 1744 C LYS A 108 15.281 -0.566 -6.184 1.00 0.00 C ATOM 1745 O LYS A 108 15.847 0.487 -6.475 1.00 0.00 O ATOM 1746 CB LYS A 108 15.374 -0.610 -3.683 1.00 0.00 C ATOM 1747 CG LYS A 108 15.034 -1.587 -2.568 1.00 0.00 C ATOM 1748 CD LYS A 108 15.742 -1.225 -1.271 1.00 0.00 C ATOM 1749 CE LYS A 108 15.434 0.201 -0.844 1.00 0.00 C ATOM 1750 NZ LYS A 108 15.388 0.341 0.638 1.00 0.00 N ATOM 0 H LYS A 108 13.899 -2.581 -4.210 1.00 0.00 H new ATOM 0 HA LYS A 108 13.752 0.167 -4.862 1.00 0.00 H new ATOM 0 HB2 LYS A 108 16.396 -0.798 -4.011 1.00 0.00 H new ATOM 0 HB3 LYS A 108 15.350 0.402 -3.279 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.956 -1.594 -2.405 1.00 0.00 H new ATOM 0 HG3 LYS A 108 15.317 -2.596 -2.868 1.00 0.00 H new ATOM 0 HD2 LYS A 108 15.437 -1.915 -0.484 1.00 0.00 H new ATOM 0 HD3 LYS A 108 16.818 -1.343 -1.398 1.00 0.00 H new ATOM 0 HE2 LYS A 108 16.192 0.872 -1.248 1.00 0.00 H new ATOM 0 HE3 LYS A 108 14.478 0.508 -1.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 15.854 1.228 0.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 14.398 0.355 0.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 15.880 -0.462 1.078 1.00 0.00 H new ATOM 1764 N ALA A 109 15.366 -1.660 -6.937 1.00 0.00 N ATOM 1765 CA ALA A 109 16.144 -1.678 -8.172 1.00 0.00 C ATOM 1766 C ALA A 109 15.280 -1.364 -9.391 1.00 0.00 C ATOM 1767 O ALA A 109 15.614 -1.756 -10.509 1.00 0.00 O ATOM 1768 CB ALA A 109 16.821 -3.029 -8.342 1.00 0.00 C ATOM 0 H ALA A 109 14.907 -2.543 -6.714 1.00 0.00 H new ATOM 0 HA ALA A 109 16.903 -0.899 -8.097 1.00 0.00 H new ATOM 0 HB1 ALA A 109 17.399 -3.033 -9.266 1.00 0.00 H new ATOM 0 HB2 ALA A 109 17.486 -3.212 -7.498 1.00 0.00 H new ATOM 0 HB3 ALA A 109 16.064 -3.812 -8.384 1.00 0.00 H new ATOM 1774 N VAL A 110 14.173 -0.657 -9.170 1.00 0.00 N ATOM 1775 CA VAL A 110 13.258 -0.283 -10.244 1.00 0.00 C ATOM 1776 C VAL A 110 12.513 -1.498 -10.790 1.00 0.00 C ATOM 1777 O VAL A 110 11.283 -1.527 -10.814 1.00 0.00 O ATOM 1778 CB VAL A 110 14.006 0.425 -11.390 1.00 0.00 C ATOM 1779 CG1 VAL A 110 13.067 0.738 -12.547 1.00 0.00 C ATOM 1780 CG2 VAL A 110 14.675 1.693 -10.884 1.00 0.00 C ATOM 0 H VAL A 110 13.887 -0.330 -8.247 1.00 0.00 H new ATOM 0 HA VAL A 110 12.531 0.408 -9.818 1.00 0.00 H new ATOM 0 HB VAL A 110 14.777 -0.251 -11.759 1.00 0.00 H new ATOM 0 HG11 VAL A 110 13.622 1.237 -13.341 1.00 0.00 H new ATOM 0 HG12 VAL A 110 12.640 -0.189 -12.930 1.00 0.00 H new ATOM 0 HG13 VAL A 110 12.266 1.390 -12.199 1.00 0.00 H new ATOM 0 HG21 VAL A 110 15.199 2.181 -11.706 1.00 0.00 H new ATOM 0 HG22 VAL A 110 13.919 2.368 -10.484 1.00 0.00 H new ATOM 0 HG23 VAL A 110 15.388 1.440 -10.099 1.00 0.00 H new ATOM 1790 N SER A 111 13.268 -2.494 -11.226 1.00 0.00 N ATOM 1791 CA SER A 111 12.689 -3.715 -11.773 1.00 0.00 C ATOM 1792 C SER A 111 13.386 -4.948 -11.206 1.00 0.00 C ATOM 1793 O SER A 111 14.418 -4.839 -10.543 1.00 0.00 O ATOM 1794 CB SER A 111 12.788 -3.713 -13.300 1.00 0.00 C ATOM 1795 OG SER A 111 11.535 -4.013 -13.894 1.00 0.00 O ATOM 0 H SER A 111 14.288 -2.482 -11.212 1.00 0.00 H new ATOM 0 HA SER A 111 11.638 -3.750 -11.486 1.00 0.00 H new ATOM 0 HB2 SER A 111 13.133 -2.738 -13.644 1.00 0.00 H new ATOM 0 HB3 SER A 111 13.530 -4.444 -13.620 1.00 0.00 H new ATOM 0 HG SER A 111 11.625 -4.004 -14.870 1.00 0.00 H new ATOM 1801 N ILE A 112 12.818 -6.120 -11.473 1.00 0.00 N ATOM 1802 CA ILE A 112 13.387 -7.372 -10.989 1.00 0.00 C ATOM 1803 C ILE A 112 14.684 -7.703 -11.722 1.00 0.00 C ATOM 1804 O ILE A 112 15.590 -8.315 -11.155 1.00 0.00 O ATOM 1805 CB ILE A 112 12.398 -8.543 -11.159 1.00 0.00 C ATOM 1806 CG1 ILE A 112 11.039 -8.182 -10.555 1.00 0.00 C ATOM 1807 CG2 ILE A 112 12.951 -9.806 -10.515 1.00 0.00 C ATOM 1808 CD1 ILE A 112 9.899 -9.017 -11.094 1.00 0.00 C ATOM 0 H ILE A 112 11.965 -6.228 -12.021 1.00 0.00 H new ATOM 0 HA ILE A 112 13.596 -7.237 -9.928 1.00 0.00 H new ATOM 0 HB ILE A 112 12.264 -8.733 -12.224 1.00 0.00 H new ATOM 0 HG12 ILE A 112 11.088 -8.303 -9.473 1.00 0.00 H new ATOM 0 HG13 ILE A 112 10.832 -7.130 -10.749 1.00 0.00 H new ATOM 0 HG21 ILE A 112 12.240 -10.622 -10.645 1.00 0.00 H new ATOM 0 HG22 ILE A 112 13.897 -10.071 -10.987 1.00 0.00 H new ATOM 0 HG23 ILE A 112 13.113 -9.631 -9.451 1.00 0.00 H new ATOM 0 HD11 ILE A 112 8.966 -8.707 -10.622 1.00 0.00 H new ATOM 0 HD12 ILE A 112 9.824 -8.878 -12.172 1.00 0.00 H new ATOM 0 HD13 ILE A 112 10.084 -10.069 -10.876 1.00 0.00 H new ATOM 1820 N SER A 113 14.767 -7.292 -12.982 1.00 0.00 N ATOM 1821 CA SER A 113 15.953 -7.542 -13.792 1.00 0.00 C ATOM 1822 C SER A 113 15.939 -6.685 -15.055 1.00 0.00 C ATOM 1823 O SER A 113 14.846 -6.222 -15.442 1.00 0.00 O ATOM 1824 CB SER A 113 16.041 -9.023 -14.166 1.00 0.00 C ATOM 1825 OG SER A 113 17.361 -9.512 -14.007 1.00 0.00 O ATOM 1826 OXT SER A 113 17.021 -6.486 -15.646 1.00 0.00 O ATOM 0 H SER A 113 14.026 -6.784 -13.465 1.00 0.00 H new ATOM 0 HA SER A 113 16.829 -7.273 -13.201 1.00 0.00 H new ATOM 0 HB2 SER A 113 15.359 -9.600 -13.542 1.00 0.00 H new ATOM 0 HB3 SER A 113 15.721 -9.160 -15.199 1.00 0.00 H new ATOM 0 HG SER A 113 17.390 -10.461 -14.251 1.00 0.00 H new TER 1832 SER A 113