USER MOD reduce.3.24.130724 H: found=0, std=0, add=1032, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1040 hydrogens (8 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: B 44 THR OG1 : rot 150:sc= 1.21 USER MOD Set 1.2: B 47 SER OG : rot -82:sc= 0.465! USER MOD Set 2.1: A 44 THR OG1 : rot 150:sc= 1.23 USER MOD Set 2.2: A 47 SER OG : rot -75:sc= 0.288! USER MOD Single : A 1 ALA N :NH3+ -114:sc= -1.05 (180deg=-3.45!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 170:sc= -0.619 USER MOD Single : A 14 SER OG : rot -89:sc= 1.57 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 53:sc= 0.201! USER MOD Single : A 19 LYS NZ :NH3+ -102:sc= -2.71! (180deg=-5.31!) USER MOD Single : A 23 ASN : amide:sc= -2.62! K(o=-2.6!,f=-0.23) USER MOD Single : A 28 TYR OH : rot -51:sc= 0.0247 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 17:sc= -1.42 USER MOD Single : A 32 SER OG : rot 180:sc= 0.38 USER MOD Single : A 33 SER OG : rot 180:sc= -0.157 USER MOD Single : A 36 SER OG : rot -68:sc= 1.09 USER MOD Single : A 37 GLN : amide:sc= -0.614 K(o=-0.61,f=0) USER MOD Single : A 43 GLN : amide:sc= -3.14! C(o=-3.1!,f=-5.3!) USER MOD Single : A 45 LYS NZ :NH3+ -168:sc= -0.271! (180deg=-1.07!) USER MOD Single : A 48 LYS NZ :NH3+ 137:sc= -0.0281 (180deg=-0.437) USER MOD Single : A 49 GLN : amide:sc= -6.44! C(o=-6.4!,f=-13!) USER MOD Single : A 55 SER OG : rot -172:sc= -2.65! USER MOD Single : A 57 SER OG : rot 180:sc= -0.147 USER MOD Single : A 60 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.14) USER MOD Single : A 62 TYR OH : rot 180:sc=-6.53e-05 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -6.77! C(o=-6.8!,f=-4.4!) USER MOD Single : B 1 ALA N :NH3+ -119:sc= -1.08 (180deg=-3.55!) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 9 THR OG1 : rot 163:sc= -0.594 USER MOD Single : B 14 SER OG : rot -94:sc= 1.54 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0.374! USER MOD Single : B 19 LYS NZ :NH3+ -103:sc= -2.65! (180deg=-5.33!) USER MOD Single : B 23 ASN : amide:sc= -2.57! K(o=-2.6!,f=-0.21) USER MOD Single : B 28 TYR OH : rot -49:sc= 0.0235 USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 THR OG1 : rot 28:sc= -1.35 USER MOD Single : B 32 SER OG : rot 170:sc= 0.477 USER MOD Single : B 33 SER OG : rot 180:sc= -0.156 USER MOD Single : B 36 SER OG : rot -60:sc= 1.17 USER MOD Single : B 37 GLN : amide:sc= -0.668 K(o=-0.67,f=0) USER MOD Single : B 43 GLN : amide:sc= -3.23! C(o=-3.2!,f=-5.4!) USER MOD Single : B 45 LYS NZ :NH3+ -164:sc= -0.164 (180deg=-1.55!) USER MOD Single : B 48 LYS NZ :NH3+ 162:sc= -0.0287 (180deg=-0.485) USER MOD Single : B 49 GLN : amide:sc= -6.68! C(o=-6.7!,f=-13!) USER MOD Single : B 55 SER OG : rot 180:sc= -2.64! USER MOD Single : B 57 SER OG : rot 180:sc= -0.102 USER MOD Single : B 60 GLN : amide:sc= -0.0818 X(o=-0.082,f=-0.075) USER MOD Single : B 62 TYR OH : rot 180:sc=-0.000699 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 ASN : amide:sc= -7.15! C(o=-7.2!,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.787 16.107 -14.155 1.00 0.00 N ATOM 2 CA ALA A 1 -8.249 14.825 -13.617 1.00 0.00 C ATOM 3 C ALA A 1 -8.405 14.798 -12.089 1.00 0.00 C ATOM 4 O ALA A 1 -7.421 14.839 -11.378 1.00 0.00 O ATOM 5 CB ALA A 1 -6.766 14.713 -13.975 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.625 15.914 -14.739 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.051 16.731 -13.366 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.060 16.572 -14.736 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.799 13.990 -14.051 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.367 13.777 -13.584 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -6.651 14.732 -15.059 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.222 15.550 -13.538 1.00 0.00 H new ATOM 13 N PRO A 2 -9.634 14.733 -11.619 1.00 0.00 N ATOM 14 CA PRO A 2 -9.902 14.706 -10.168 1.00 0.00 C ATOM 15 C PRO A 2 -9.269 13.452 -9.545 1.00 0.00 C ATOM 16 O PRO A 2 -9.273 12.387 -10.130 1.00 0.00 O ATOM 17 CB PRO A 2 -11.445 14.686 -10.047 1.00 0.00 C ATOM 18 CG PRO A 2 -12.028 14.700 -11.491 1.00 0.00 C ATOM 19 CD PRO A 2 -10.839 14.685 -12.476 1.00 0.00 C ATOM 0 HA PRO A 2 -9.477 15.560 -9.641 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -11.776 13.798 -9.509 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -11.797 15.550 -9.483 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -12.670 13.834 -11.653 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -12.643 15.586 -11.647 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -10.849 13.787 -13.094 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -10.876 15.538 -13.153 1.00 0.00 H new ATOM 27 N MET A 3 -8.729 13.574 -8.364 1.00 0.00 N ATOM 28 CA MET A 3 -8.098 12.394 -7.707 1.00 0.00 C ATOM 29 C MET A 3 -9.186 11.512 -7.091 1.00 0.00 C ATOM 30 O MET A 3 -10.306 11.939 -6.890 1.00 0.00 O ATOM 31 CB MET A 3 -7.146 12.871 -6.608 1.00 0.00 C ATOM 32 CG MET A 3 -6.128 13.847 -7.201 1.00 0.00 C ATOM 33 SD MET A 3 -5.077 14.500 -5.881 1.00 0.00 S ATOM 34 CE MET A 3 -3.967 15.469 -6.931 1.00 0.00 C ATOM 0 H MET A 3 -8.697 14.439 -7.825 1.00 0.00 H new ATOM 0 HA MET A 3 -7.540 11.820 -8.447 1.00 0.00 H new ATOM 0 HB2 MET A 3 -7.709 13.356 -5.810 1.00 0.00 H new ATOM 0 HB3 MET A 3 -6.632 12.019 -6.163 1.00 0.00 H new ATOM 0 HG2 MET A 3 -5.518 13.342 -7.950 1.00 0.00 H new ATOM 0 HG3 MET A 3 -6.643 14.663 -7.707 1.00 0.00 H new ATOM 0 HE1 MET A 3 -3.222 15.968 -6.311 1.00 0.00 H new ATOM 0 HE2 MET A 3 -3.466 14.808 -7.638 1.00 0.00 H new ATOM 0 HE3 MET A 3 -4.543 16.216 -7.477 1.00 0.00 H new ATOM 44 N GLY A 4 -8.865 10.283 -6.788 1.00 0.00 N ATOM 45 CA GLY A 4 -9.883 9.376 -6.185 1.00 0.00 C ATOM 46 C GLY A 4 -10.372 9.966 -4.862 1.00 0.00 C ATOM 47 O GLY A 4 -10.043 11.081 -4.510 1.00 0.00 O ATOM 0 H GLY A 4 -7.944 9.869 -6.932 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.721 9.247 -6.870 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.452 8.389 -6.018 1.00 0.00 H new ATOM 51 N SER A 5 -11.165 9.229 -4.123 1.00 0.00 N ATOM 52 CA SER A 5 -11.678 9.755 -2.823 1.00 0.00 C ATOM 53 C SER A 5 -10.685 9.421 -1.696 1.00 0.00 C ATOM 54 O SER A 5 -10.146 10.302 -1.056 1.00 0.00 O ATOM 55 CB SER A 5 -13.061 9.143 -2.538 1.00 0.00 C ATOM 56 OG SER A 5 -13.986 10.190 -2.280 1.00 0.00 O ATOM 0 H SER A 5 -11.478 8.289 -4.364 1.00 0.00 H new ATOM 0 HA SER A 5 -11.779 10.839 -2.876 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.393 8.549 -3.390 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.006 8.470 -1.682 1.00 0.00 H new ATOM 0 HG SER A 5 -14.870 9.808 -2.099 1.00 0.00 H new ATOM 62 N ASP A 6 -10.435 8.159 -1.452 1.00 0.00 N ATOM 63 CA ASP A 6 -9.472 7.786 -0.369 1.00 0.00 C ATOM 64 C ASP A 6 -8.928 6.371 -0.619 1.00 0.00 C ATOM 65 O ASP A 6 -9.226 5.462 0.130 1.00 0.00 O ATOM 66 CB ASP A 6 -10.185 7.820 0.995 1.00 0.00 C ATOM 67 CG ASP A 6 -9.146 7.909 2.116 1.00 0.00 C ATOM 68 OD1 ASP A 6 -8.600 8.982 2.308 1.00 0.00 O ATOM 69 OD2 ASP A 6 -8.914 6.900 2.763 1.00 0.00 O ATOM 0 H ASP A 6 -10.853 7.374 -1.952 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.647 8.498 -0.369 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.860 8.674 1.043 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.794 6.925 1.121 1.00 0.00 H new ATOM 74 N PRO A 7 -8.146 6.211 -1.667 1.00 0.00 N ATOM 75 CA PRO A 7 -7.574 4.893 -2.000 1.00 0.00 C ATOM 76 C PRO A 7 -6.615 4.440 -0.876 1.00 0.00 C ATOM 77 O PRO A 7 -6.272 5.227 -0.016 1.00 0.00 O ATOM 78 CB PRO A 7 -6.821 5.114 -3.335 1.00 0.00 C ATOM 79 CG PRO A 7 -6.947 6.624 -3.700 1.00 0.00 C ATOM 80 CD PRO A 7 -7.779 7.305 -2.591 1.00 0.00 C ATOM 0 HA PRO A 7 -8.329 4.113 -2.096 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.773 4.830 -3.236 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.247 4.492 -4.123 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.961 7.083 -3.776 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.430 6.744 -4.670 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.202 8.076 -2.081 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.665 7.789 -3.002 1.00 0.00 H new ATOM 88 N PRO A 8 -6.204 3.185 -0.913 1.00 0.00 N ATOM 89 CA PRO A 8 -5.282 2.640 0.106 1.00 0.00 C ATOM 90 C PRO A 8 -3.930 3.370 0.041 1.00 0.00 C ATOM 91 O PRO A 8 -3.829 4.468 -0.468 1.00 0.00 O ATOM 92 CB PRO A 8 -5.128 1.143 -0.262 1.00 0.00 C ATOM 93 CG PRO A 8 -5.843 0.925 -1.626 1.00 0.00 C ATOM 94 CD PRO A 8 -6.619 2.219 -1.954 1.00 0.00 C ATOM 0 HA PRO A 8 -5.654 2.769 1.122 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.075 0.871 -0.333 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.569 0.511 0.508 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.117 0.704 -2.409 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.522 0.074 -1.572 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.375 2.584 -2.952 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.696 2.051 -1.931 1.00 0.00 H new ATOM 102 N THR A 9 -2.892 2.759 0.553 1.00 0.00 N ATOM 103 CA THR A 9 -1.546 3.405 0.525 1.00 0.00 C ATOM 104 C THR A 9 -0.463 2.327 0.561 1.00 0.00 C ATOM 105 O THR A 9 -0.483 1.436 1.385 1.00 0.00 O ATOM 106 CB THR A 9 -1.392 4.317 1.741 1.00 0.00 C ATOM 107 OG1 THR A 9 -2.557 5.118 1.881 1.00 0.00 O ATOM 108 CG2 THR A 9 -0.167 5.218 1.557 1.00 0.00 C ATOM 0 H THR A 9 -2.919 1.838 0.990 1.00 0.00 H new ATOM 0 HA THR A 9 -1.446 3.994 -0.387 1.00 0.00 H new ATOM 0 HB THR A 9 -1.259 3.709 2.636 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.533 5.582 2.744 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.059 5.868 2.426 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.726 4.601 1.452 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.294 5.827 0.662 1.00 0.00 H new ATOM 116 N ALA A 10 0.483 2.409 -0.331 1.00 0.00 N ATOM 117 CA ALA A 10 1.575 1.398 -0.363 1.00 0.00 C ATOM 118 C ALA A 10 2.475 1.565 0.863 1.00 0.00 C ATOM 119 O ALA A 10 3.528 2.168 0.790 1.00 0.00 O ATOM 120 CB ALA A 10 2.401 1.601 -1.632 1.00 0.00 C ATOM 0 H ALA A 10 0.547 3.137 -1.043 1.00 0.00 H new ATOM 0 HA ALA A 10 1.145 0.396 -0.354 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.204 0.865 -1.665 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.761 1.479 -2.506 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.828 2.604 -1.632 1.00 0.00 H new ATOM 126 N CYS A 11 2.074 1.024 1.986 1.00 0.00 N ATOM 127 CA CYS A 11 2.902 1.130 3.228 1.00 0.00 C ATOM 128 C CYS A 11 3.493 -0.247 3.540 1.00 0.00 C ATOM 129 O CYS A 11 2.819 -1.253 3.457 1.00 0.00 O ATOM 130 CB CYS A 11 2.019 1.584 4.393 1.00 0.00 C ATOM 131 SG CYS A 11 1.144 3.102 3.932 1.00 0.00 S ATOM 0 H CYS A 11 1.201 0.509 2.097 1.00 0.00 H new ATOM 0 HA CYS A 11 3.703 1.855 3.083 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.303 0.802 4.647 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.629 1.758 5.279 1.00 0.00 H new ATOM 136 N CYS A 12 4.751 -0.304 3.886 1.00 0.00 N ATOM 137 CA CYS A 12 5.377 -1.623 4.188 1.00 0.00 C ATOM 138 C CYS A 12 4.864 -2.142 5.532 1.00 0.00 C ATOM 139 O CYS A 12 4.627 -1.386 6.453 1.00 0.00 O ATOM 140 CB CYS A 12 6.899 -1.469 4.252 1.00 0.00 C ATOM 141 SG CYS A 12 7.530 -1.000 2.622 1.00 0.00 S ATOM 0 H CYS A 12 5.370 0.502 3.972 1.00 0.00 H new ATOM 0 HA CYS A 12 5.115 -2.331 3.401 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.167 -0.712 4.989 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.356 -2.404 4.575 1.00 0.00 H new ATOM 146 N PHE A 13 4.700 -3.436 5.649 1.00 0.00 N ATOM 147 CA PHE A 13 4.211 -4.033 6.930 1.00 0.00 C ATOM 148 C PHE A 13 5.395 -4.674 7.655 1.00 0.00 C ATOM 149 O PHE A 13 5.361 -4.911 8.846 1.00 0.00 O ATOM 150 CB PHE A 13 3.167 -5.108 6.621 1.00 0.00 C ATOM 151 CG PHE A 13 3.821 -6.231 5.855 1.00 0.00 C ATOM 152 CD1 PHE A 13 4.062 -6.093 4.476 1.00 0.00 C ATOM 153 CD2 PHE A 13 4.198 -7.412 6.522 1.00 0.00 C ATOM 154 CE1 PHE A 13 4.678 -7.137 3.761 1.00 0.00 C ATOM 155 CE2 PHE A 13 4.814 -8.456 5.809 1.00 0.00 C ATOM 156 CZ PHE A 13 5.054 -8.320 4.428 1.00 0.00 C ATOM 0 H PHE A 13 4.885 -4.110 4.906 1.00 0.00 H new ATOM 0 HA PHE A 13 3.763 -3.260 7.555 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.734 -5.487 7.546 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.351 -4.682 6.038 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.774 -5.186 3.966 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.014 -7.516 7.581 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.862 -7.032 2.702 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.103 -9.362 6.321 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.526 -9.122 3.880 1.00 0.00 H new ATOM 166 N SER A 14 6.445 -4.956 6.933 1.00 0.00 N ATOM 167 CA SER A 14 7.645 -5.583 7.552 1.00 0.00 C ATOM 168 C SER A 14 8.869 -5.256 6.697 1.00 0.00 C ATOM 169 O SER A 14 8.930 -4.223 6.060 1.00 0.00 O ATOM 170 CB SER A 14 7.455 -7.099 7.616 1.00 0.00 C ATOM 171 OG SER A 14 7.606 -7.647 6.313 1.00 0.00 O ATOM 0 H SER A 14 6.522 -4.777 5.932 1.00 0.00 H new ATOM 0 HA SER A 14 7.785 -5.198 8.562 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.185 -7.540 8.295 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.467 -7.337 8.011 1.00 0.00 H new ATOM 0 HG SER A 14 6.739 -7.648 5.856 1.00 0.00 H new ATOM 177 N TYR A 15 9.848 -6.119 6.674 1.00 0.00 N ATOM 178 CA TYR A 15 11.067 -5.841 5.856 1.00 0.00 C ATOM 179 C TYR A 15 11.747 -7.156 5.478 1.00 0.00 C ATOM 180 O TYR A 15 11.481 -8.193 6.054 1.00 0.00 O ATOM 181 CB TYR A 15 12.045 -4.982 6.668 1.00 0.00 C ATOM 182 CG TYR A 15 11.286 -3.926 7.435 1.00 0.00 C ATOM 183 CD1 TYR A 15 10.939 -2.713 6.811 1.00 0.00 C ATOM 184 CD2 TYR A 15 10.927 -4.156 8.777 1.00 0.00 C ATOM 185 CE1 TYR A 15 10.231 -1.730 7.528 1.00 0.00 C ATOM 186 CE2 TYR A 15 10.219 -3.172 9.495 1.00 0.00 C ATOM 187 CZ TYR A 15 9.872 -1.960 8.870 1.00 0.00 C ATOM 188 OH TYR A 15 9.179 -0.995 9.573 1.00 0.00 O ATOM 0 H TYR A 15 9.858 -7.002 7.184 1.00 0.00 H new ATOM 0 HA TYR A 15 10.776 -5.309 4.950 1.00 0.00 H new ATOM 0 HB2 TYR A 15 12.608 -5.610 7.358 1.00 0.00 H new ATOM 0 HB3 TYR A 15 12.768 -4.511 6.002 1.00 0.00 H new ATOM 0 HD1 TYR A 15 11.216 -2.536 5.782 1.00 0.00 H new ATOM 0 HD2 TYR A 15 11.194 -5.086 9.256 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.963 -0.800 7.049 1.00 0.00 H new ATOM 0 HE2 TYR A 15 9.943 -3.348 10.524 1.00 0.00 H new ATOM 0 HH TYR A 15 9.009 -1.313 10.484 1.00 0.00 H new ATOM 198 N THR A 16 12.633 -7.118 4.521 1.00 0.00 N ATOM 199 CA THR A 16 13.340 -8.364 4.119 1.00 0.00 C ATOM 200 C THR A 16 14.092 -8.913 5.336 1.00 0.00 C ATOM 201 O THR A 16 13.773 -8.587 6.462 1.00 0.00 O ATOM 202 CB THR A 16 14.311 -8.052 2.969 1.00 0.00 C ATOM 203 OG1 THR A 16 15.124 -9.185 2.704 1.00 0.00 O ATOM 204 CG2 THR A 16 15.196 -6.861 3.341 1.00 0.00 C ATOM 0 H THR A 16 12.897 -6.280 4.002 1.00 0.00 H new ATOM 0 HA THR A 16 12.629 -9.113 3.772 1.00 0.00 H new ATOM 0 HB THR A 16 13.735 -7.805 2.077 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.555 -9.970 2.563 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.881 -6.647 2.521 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.571 -5.988 3.529 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.767 -7.099 4.238 1.00 0.00 H new ATOM 212 N ALA A 17 15.078 -9.747 5.132 1.00 0.00 N ATOM 213 CA ALA A 17 15.834 -10.315 6.289 1.00 0.00 C ATOM 214 C ALA A 17 17.311 -10.424 5.917 1.00 0.00 C ATOM 215 O ALA A 17 18.104 -10.998 6.637 1.00 0.00 O ATOM 216 CB ALA A 17 15.286 -11.704 6.614 1.00 0.00 C ATOM 0 H ALA A 17 15.393 -10.060 4.214 1.00 0.00 H new ATOM 0 HA ALA A 17 15.723 -9.667 7.158 1.00 0.00 H new ATOM 0 HB1 ALA A 17 15.834 -12.123 7.458 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.229 -11.627 6.870 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.403 -12.353 5.747 1.00 0.00 H new ATOM 222 N ARG A 18 17.687 -9.873 4.794 1.00 0.00 N ATOM 223 CA ARG A 18 19.114 -9.933 4.358 1.00 0.00 C ATOM 224 C ARG A 18 19.491 -8.609 3.688 1.00 0.00 C ATOM 225 O ARG A 18 18.790 -8.118 2.826 1.00 0.00 O ATOM 226 CB ARG A 18 19.289 -11.079 3.357 1.00 0.00 C ATOM 227 CG ARG A 18 19.349 -12.413 4.107 1.00 0.00 C ATOM 228 CD ARG A 18 19.163 -13.561 3.118 1.00 0.00 C ATOM 229 NE ARG A 18 19.553 -14.845 3.767 1.00 0.00 N ATOM 230 CZ ARG A 18 19.200 -15.980 3.228 1.00 0.00 C ATOM 231 NH1 ARG A 18 18.508 -15.992 2.123 1.00 0.00 N ATOM 232 NH2 ARG A 18 19.542 -17.105 3.796 1.00 0.00 N ATOM 0 H ARG A 18 17.063 -9.380 4.155 1.00 0.00 H new ATOM 0 HA ARG A 18 19.757 -10.102 5.222 1.00 0.00 H new ATOM 0 HB2 ARG A 18 18.461 -11.086 2.648 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.202 -10.934 2.779 1.00 0.00 H new ATOM 0 HG2 ARG A 18 20.306 -12.512 4.619 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.573 -12.448 4.872 1.00 0.00 H new ATOM 0 HD2 ARG A 18 18.125 -13.608 2.790 1.00 0.00 H new ATOM 0 HD3 ARG A 18 19.771 -13.391 2.229 1.00 0.00 H new ATOM 0 HE ARG A 18 20.095 -14.837 4.631 1.00 0.00 H new ATOM 0 HH11 ARG A 18 18.242 -15.113 1.678 1.00 0.00 H new ATOM 0 HH12 ARG A 18 18.233 -16.880 1.703 1.00 0.00 H new ATOM 0 HH21 ARG A 18 20.084 -17.096 4.660 1.00 0.00 H new ATOM 0 HH22 ARG A 18 19.267 -17.993 3.376 1.00 0.00 H new ATOM 246 N LYS A 19 20.596 -8.033 4.071 1.00 0.00 N ATOM 247 CA LYS A 19 21.018 -6.748 3.447 1.00 0.00 C ATOM 248 C LYS A 19 21.257 -6.994 1.955 1.00 0.00 C ATOM 249 O LYS A 19 21.954 -7.911 1.570 1.00 0.00 O ATOM 250 CB LYS A 19 22.307 -6.259 4.136 1.00 0.00 C ATOM 251 CG LYS A 19 22.889 -5.019 3.427 1.00 0.00 C ATOM 252 CD LYS A 19 24.345 -4.805 3.864 1.00 0.00 C ATOM 253 CE LYS A 19 24.455 -4.839 5.392 1.00 0.00 C ATOM 254 NZ LYS A 19 24.509 -6.254 5.856 1.00 0.00 N ATOM 0 H LYS A 19 21.224 -8.396 4.788 1.00 0.00 H new ATOM 0 HA LYS A 19 20.250 -5.983 3.565 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.096 -6.018 5.178 1.00 0.00 H new ATOM 0 HB3 LYS A 19 23.047 -7.060 4.138 1.00 0.00 H new ATOM 0 HG2 LYS A 19 22.840 -5.150 2.346 1.00 0.00 H new ATOM 0 HG3 LYS A 19 22.294 -4.138 3.668 1.00 0.00 H new ATOM 0 HD2 LYS A 19 24.979 -5.578 3.430 1.00 0.00 H new ATOM 0 HD3 LYS A 19 24.707 -3.848 3.488 1.00 0.00 H new ATOM 0 HE2 LYS A 19 25.349 -4.305 5.715 1.00 0.00 H new ATOM 0 HE3 LYS A 19 23.601 -4.331 5.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 23.578 -6.534 6.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 24.765 -6.871 5.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 25.222 -6.346 6.608 1.00 0.00 H new ATOM 268 N LEU A 20 20.681 -6.180 1.114 1.00 0.00 N ATOM 269 CA LEU A 20 20.872 -6.366 -0.350 1.00 0.00 C ATOM 270 C LEU A 20 22.299 -5.916 -0.740 1.00 0.00 C ATOM 271 O LEU A 20 22.652 -4.786 -0.468 1.00 0.00 O ATOM 272 CB LEU A 20 19.872 -5.486 -1.105 1.00 0.00 C ATOM 273 CG LEU A 20 18.470 -5.640 -0.511 1.00 0.00 C ATOM 274 CD1 LEU A 20 17.467 -4.914 -1.408 1.00 0.00 C ATOM 275 CD2 LEU A 20 18.095 -7.124 -0.428 1.00 0.00 C ATOM 0 H LEU A 20 20.087 -5.394 1.378 1.00 0.00 H new ATOM 0 HA LEU A 20 20.722 -7.416 -0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.184 -4.443 -1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.859 -5.762 -2.159 1.00 0.00 H new ATOM 0 HG LEU A 20 18.453 -5.212 0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.465 -5.019 -0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.728 -3.857 -1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.492 -5.348 -2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.096 -7.224 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.110 -7.560 -1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.812 -7.645 0.206 1.00 0.00 H new ATOM 287 N PRO A 21 23.090 -6.765 -1.379 1.00 0.00 N ATOM 288 CA PRO A 21 24.447 -6.357 -1.785 1.00 0.00 C ATOM 289 C PRO A 21 24.365 -5.094 -2.644 1.00 0.00 C ATOM 290 O PRO A 21 23.449 -4.926 -3.422 1.00 0.00 O ATOM 291 CB PRO A 21 24.996 -7.545 -2.607 1.00 0.00 C ATOM 292 CG PRO A 21 23.979 -8.714 -2.466 1.00 0.00 C ATOM 293 CD PRO A 21 22.732 -8.157 -1.743 1.00 0.00 C ATOM 0 HA PRO A 21 25.090 -6.129 -0.935 1.00 0.00 H new ATOM 0 HB2 PRO A 21 25.117 -7.265 -3.653 1.00 0.00 H new ATOM 0 HB3 PRO A 21 25.978 -7.844 -2.241 1.00 0.00 H new ATOM 0 HG2 PRO A 21 23.710 -9.109 -3.446 1.00 0.00 H new ATOM 0 HG3 PRO A 21 24.416 -9.536 -1.900 1.00 0.00 H new ATOM 0 HD2 PRO A 21 21.856 -8.183 -2.391 1.00 0.00 H new ATOM 0 HD3 PRO A 21 22.492 -8.747 -0.859 1.00 0.00 H new ATOM 301 N ARG A 22 25.317 -4.213 -2.527 1.00 0.00 N ATOM 302 CA ARG A 22 25.284 -2.983 -3.365 1.00 0.00 C ATOM 303 C ARG A 22 25.068 -3.396 -4.823 1.00 0.00 C ATOM 304 O ARG A 22 24.420 -2.711 -5.589 1.00 0.00 O ATOM 305 CB ARG A 22 26.612 -2.233 -3.233 1.00 0.00 C ATOM 306 CG ARG A 22 26.537 -0.920 -4.017 1.00 0.00 C ATOM 307 CD ARG A 22 27.743 -0.048 -3.669 1.00 0.00 C ATOM 308 NE ARG A 22 27.706 1.199 -4.484 1.00 0.00 N ATOM 309 CZ ARG A 22 28.452 2.217 -4.155 1.00 0.00 C ATOM 310 NH1 ARG A 22 29.234 2.143 -3.113 1.00 0.00 N ATOM 311 NH2 ARG A 22 28.417 3.309 -4.869 1.00 0.00 N ATOM 0 H ARG A 22 26.112 -4.290 -1.892 1.00 0.00 H new ATOM 0 HA ARG A 22 24.476 -2.329 -3.038 1.00 0.00 H new ATOM 0 HB2 ARG A 22 26.825 -2.030 -2.183 1.00 0.00 H new ATOM 0 HB3 ARG A 22 27.429 -2.848 -3.611 1.00 0.00 H new ATOM 0 HG2 ARG A 22 26.519 -1.124 -5.088 1.00 0.00 H new ATOM 0 HG3 ARG A 22 25.613 -0.394 -3.778 1.00 0.00 H new ATOM 0 HD2 ARG A 22 27.733 0.198 -2.607 1.00 0.00 H new ATOM 0 HD3 ARG A 22 28.667 -0.593 -3.861 1.00 0.00 H new ATOM 0 HE ARG A 22 27.097 1.256 -5.300 1.00 0.00 H new ATOM 0 HH11 ARG A 22 29.262 1.289 -2.556 1.00 0.00 H new ATOM 0 HH12 ARG A 22 29.817 2.939 -2.856 1.00 0.00 H new ATOM 0 HH21 ARG A 22 27.806 3.366 -5.684 1.00 0.00 H new ATOM 0 HH22 ARG A 22 29.000 4.105 -4.612 1.00 0.00 H new ATOM 325 N ASN A 23 25.607 -4.525 -5.201 1.00 0.00 N ATOM 326 CA ASN A 23 25.437 -5.008 -6.601 1.00 0.00 C ATOM 327 C ASN A 23 24.010 -5.522 -6.800 1.00 0.00 C ATOM 328 O ASN A 23 23.727 -6.241 -7.738 1.00 0.00 O ATOM 329 CB ASN A 23 26.430 -6.141 -6.873 1.00 0.00 C ATOM 330 CG ASN A 23 27.857 -5.629 -6.676 1.00 0.00 C ATOM 331 OD1 ASN A 23 28.628 -5.569 -7.614 1.00 0.00 O ATOM 332 ND2 ASN A 23 28.245 -5.253 -5.488 1.00 0.00 N ATOM 0 H ASN A 23 26.159 -5.135 -4.598 1.00 0.00 H new ATOM 0 HA ASN A 23 25.623 -4.185 -7.292 1.00 0.00 H new ATOM 0 HB2 ASN A 23 26.237 -6.977 -6.201 1.00 0.00 H new ATOM 0 HB3 ASN A 23 26.303 -6.513 -7.890 1.00 0.00 H new ATOM 0 HD21 ASN A 23 29.195 -4.909 -5.347 1.00 0.00 H new ATOM 0 HD22 ASN A 23 27.598 -5.303 -4.701 1.00 0.00 H new ATOM 339 N PHE A 24 23.108 -5.169 -5.919 1.00 0.00 N ATOM 340 CA PHE A 24 21.693 -5.647 -6.047 1.00 0.00 C ATOM 341 C PHE A 24 20.746 -4.498 -5.684 1.00 0.00 C ATOM 342 O PHE A 24 19.644 -4.710 -5.217 1.00 0.00 O ATOM 343 CB PHE A 24 21.481 -6.832 -5.087 1.00 0.00 C ATOM 344 CG PHE A 24 20.303 -7.680 -5.530 1.00 0.00 C ATOM 345 CD1 PHE A 24 20.321 -8.310 -6.793 1.00 0.00 C ATOM 346 CD2 PHE A 24 19.192 -7.852 -4.677 1.00 0.00 C ATOM 347 CE1 PHE A 24 19.233 -9.106 -7.199 1.00 0.00 C ATOM 348 CE2 PHE A 24 18.105 -8.648 -5.087 1.00 0.00 C ATOM 349 CZ PHE A 24 18.126 -9.274 -6.347 1.00 0.00 C ATOM 0 H PHE A 24 23.289 -4.569 -5.114 1.00 0.00 H new ATOM 0 HA PHE A 24 21.490 -5.970 -7.068 1.00 0.00 H new ATOM 0 HB2 PHE A 24 22.383 -7.444 -5.052 1.00 0.00 H new ATOM 0 HB3 PHE A 24 21.308 -6.461 -4.077 1.00 0.00 H new ATOM 0 HD1 PHE A 24 21.170 -8.181 -7.448 1.00 0.00 H new ATOM 0 HD2 PHE A 24 19.175 -7.373 -3.709 1.00 0.00 H new ATOM 0 HE1 PHE A 24 19.248 -9.588 -8.165 1.00 0.00 H new ATOM 0 HE2 PHE A 24 17.255 -8.778 -4.434 1.00 0.00 H new ATOM 0 HZ PHE A 24 17.292 -9.884 -6.660 1.00 0.00 H new ATOM 359 N VAL A 25 21.173 -3.282 -5.902 1.00 0.00 N ATOM 360 CA VAL A 25 20.315 -2.102 -5.581 1.00 0.00 C ATOM 361 C VAL A 25 20.651 -0.970 -6.555 1.00 0.00 C ATOM 362 O VAL A 25 21.502 -0.143 -6.290 1.00 0.00 O ATOM 363 CB VAL A 25 20.593 -1.636 -4.149 1.00 0.00 C ATOM 364 CG1 VAL A 25 19.640 -0.497 -3.784 1.00 0.00 C ATOM 365 CG2 VAL A 25 20.378 -2.799 -3.178 1.00 0.00 C ATOM 0 H VAL A 25 22.087 -3.053 -6.292 1.00 0.00 H new ATOM 0 HA VAL A 25 19.264 -2.376 -5.671 1.00 0.00 H new ATOM 0 HB VAL A 25 21.624 -1.288 -4.082 1.00 0.00 H new ATOM 0 HG11 VAL A 25 19.840 -0.168 -2.764 1.00 0.00 H new ATOM 0 HG12 VAL A 25 19.789 0.336 -4.471 1.00 0.00 H new ATOM 0 HG13 VAL A 25 18.610 -0.847 -3.857 1.00 0.00 H new ATOM 0 HG21 VAL A 25 20.577 -2.464 -2.160 1.00 0.00 H new ATOM 0 HG22 VAL A 25 19.348 -3.148 -3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 25 21.056 -3.614 -3.431 1.00 0.00 H new ATOM 375 N VAL A 26 19.996 -0.931 -7.684 1.00 0.00 N ATOM 376 CA VAL A 26 20.283 0.138 -8.679 1.00 0.00 C ATOM 377 C VAL A 26 19.493 1.398 -8.331 1.00 0.00 C ATOM 378 O VAL A 26 19.728 2.458 -8.875 1.00 0.00 O ATOM 379 CB VAL A 26 19.873 -0.347 -10.068 1.00 0.00 C ATOM 380 CG1 VAL A 26 20.863 -1.407 -10.551 1.00 0.00 C ATOM 381 CG2 VAL A 26 18.470 -0.955 -10.000 1.00 0.00 C ATOM 0 H VAL A 26 19.273 -1.596 -7.959 1.00 0.00 H new ATOM 0 HA VAL A 26 21.348 0.368 -8.665 1.00 0.00 H new ATOM 0 HB VAL A 26 19.874 0.494 -10.762 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.570 -1.753 -11.542 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.863 -0.976 -10.598 1.00 0.00 H new ATOM 0 HG13 VAL A 26 20.862 -2.248 -9.858 1.00 0.00 H new ATOM 0 HG21 VAL A 26 18.175 -1.302 -10.990 1.00 0.00 H new ATOM 0 HG22 VAL A 26 18.471 -1.796 -9.307 1.00 0.00 H new ATOM 0 HG23 VAL A 26 17.763 -0.201 -9.655 1.00 0.00 H new ATOM 391 N ASP A 27 18.556 1.296 -7.431 1.00 0.00 N ATOM 392 CA ASP A 27 17.760 2.498 -7.064 1.00 0.00 C ATOM 393 C ASP A 27 16.910 2.188 -5.837 1.00 0.00 C ATOM 394 O ASP A 27 17.047 1.149 -5.222 1.00 0.00 O ATOM 395 CB ASP A 27 16.848 2.878 -8.234 1.00 0.00 C ATOM 396 CG ASP A 27 16.265 4.273 -8.001 1.00 0.00 C ATOM 397 OD1 ASP A 27 16.806 4.991 -7.174 1.00 0.00 O ATOM 398 OD2 ASP A 27 15.287 4.602 -8.652 1.00 0.00 O ATOM 0 H ASP A 27 18.308 0.439 -6.937 1.00 0.00 H new ATOM 0 HA ASP A 27 18.431 3.327 -6.840 1.00 0.00 H new ATOM 0 HB2 ASP A 27 17.411 2.860 -9.167 1.00 0.00 H new ATOM 0 HB3 ASP A 27 16.044 2.149 -8.332 1.00 0.00 H new ATOM 403 N TYR A 28 16.027 3.077 -5.476 1.00 0.00 N ATOM 404 CA TYR A 28 15.167 2.825 -4.289 1.00 0.00 C ATOM 405 C TYR A 28 13.882 3.637 -4.396 1.00 0.00 C ATOM 406 O TYR A 28 13.627 4.306 -5.378 1.00 0.00 O ATOM 407 CB TYR A 28 15.916 3.195 -3.005 1.00 0.00 C ATOM 408 CG TYR A 28 16.038 4.701 -2.870 1.00 0.00 C ATOM 409 CD1 TYR A 28 16.792 5.438 -3.804 1.00 0.00 C ATOM 410 CD2 TYR A 28 15.406 5.364 -1.799 1.00 0.00 C ATOM 411 CE1 TYR A 28 16.912 6.833 -3.668 1.00 0.00 C ATOM 412 CE2 TYR A 28 15.526 6.758 -1.661 1.00 0.00 C ATOM 413 CZ TYR A 28 16.279 7.495 -2.596 1.00 0.00 C ATOM 414 OH TYR A 28 16.398 8.864 -2.462 1.00 0.00 O ATOM 0 H TYR A 28 15.865 3.965 -5.951 1.00 0.00 H new ATOM 0 HA TYR A 28 14.916 1.765 -4.255 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.390 2.789 -2.141 1.00 0.00 H new ATOM 0 HB3 TYR A 28 16.908 2.744 -3.014 1.00 0.00 H new ATOM 0 HD1 TYR A 28 17.278 4.932 -4.625 1.00 0.00 H new ATOM 0 HD2 TYR A 28 14.828 4.800 -1.082 1.00 0.00 H new ATOM 0 HE1 TYR A 28 17.489 7.397 -4.385 1.00 0.00 H new ATOM 0 HE2 TYR A 28 15.041 7.263 -0.839 1.00 0.00 H new ATOM 0 HH TYR A 28 17.344 9.116 -2.506 1.00 0.00 H new ATOM 424 N TYR A 29 13.066 3.563 -3.390 1.00 0.00 N ATOM 425 CA TYR A 29 11.780 4.302 -3.403 1.00 0.00 C ATOM 426 C TYR A 29 11.278 4.417 -1.959 1.00 0.00 C ATOM 427 O TYR A 29 11.281 3.458 -1.220 1.00 0.00 O ATOM 428 CB TYR A 29 10.786 3.513 -4.274 1.00 0.00 C ATOM 429 CG TYR A 29 9.362 3.908 -3.956 1.00 0.00 C ATOM 430 CD1 TYR A 29 8.888 5.178 -4.328 1.00 0.00 C ATOM 431 CD2 TYR A 29 8.514 3.004 -3.288 1.00 0.00 C ATOM 432 CE1 TYR A 29 7.563 5.548 -4.031 1.00 0.00 C ATOM 433 CE2 TYR A 29 7.188 3.373 -2.991 1.00 0.00 C ATOM 434 CZ TYR A 29 6.712 4.645 -3.362 1.00 0.00 C ATOM 435 OH TYR A 29 5.412 5.008 -3.071 1.00 0.00 O ATOM 0 H TYR A 29 13.237 3.014 -2.547 1.00 0.00 H new ATOM 0 HA TYR A 29 11.894 5.305 -3.815 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.993 3.698 -5.328 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.918 2.444 -4.106 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.540 5.869 -4.841 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.880 2.029 -3.004 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.198 6.524 -4.316 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.536 2.681 -2.479 1.00 0.00 H new ATOM 0 HH TYR A 29 4.962 4.270 -2.609 1.00 0.00 H new ATOM 445 N GLU A 30 10.851 5.578 -1.543 1.00 0.00 N ATOM 446 CA GLU A 30 10.356 5.724 -0.138 1.00 0.00 C ATOM 447 C GLU A 30 8.847 5.463 -0.101 1.00 0.00 C ATOM 448 O GLU A 30 8.157 5.602 -1.091 1.00 0.00 O ATOM 449 CB GLU A 30 10.647 7.142 0.361 1.00 0.00 C ATOM 450 CG GLU A 30 12.130 7.268 0.719 1.00 0.00 C ATOM 451 CD GLU A 30 12.403 8.665 1.278 1.00 0.00 C ATOM 452 OE1 GLU A 30 12.144 8.873 2.452 1.00 0.00 O ATOM 453 OE2 GLU A 30 12.868 9.503 0.523 1.00 0.00 O ATOM 0 H GLU A 30 10.822 6.427 -2.107 1.00 0.00 H new ATOM 0 HA GLU A 30 10.863 5.005 0.505 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.385 7.869 -0.408 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.032 7.365 1.233 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.403 6.511 1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.744 7.092 -0.164 1.00 0.00 H new ATOM 460 N THR A 31 8.336 5.075 1.034 1.00 0.00 N ATOM 461 CA THR A 31 6.873 4.789 1.148 1.00 0.00 C ATOM 462 C THR A 31 6.074 6.092 1.113 1.00 0.00 C ATOM 463 O THR A 31 6.582 7.142 0.773 1.00 0.00 O ATOM 464 CB THR A 31 6.606 4.081 2.475 1.00 0.00 C ATOM 465 OG1 THR A 31 7.288 4.773 3.505 1.00 0.00 O ATOM 466 CG2 THR A 31 7.108 2.638 2.392 1.00 0.00 C ATOM 0 H THR A 31 8.869 4.942 1.893 1.00 0.00 H new ATOM 0 HA THR A 31 6.568 4.159 0.312 1.00 0.00 H new ATOM 0 HB THR A 31 5.537 4.071 2.687 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.537 5.667 3.189 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.918 2.132 3.338 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.585 2.116 1.590 1.00 0.00 H new ATOM 0 HG23 THR A 31 8.179 2.636 2.188 1.00 0.00 H new ATOM 474 N SER A 32 4.821 6.023 1.471 1.00 0.00 N ATOM 475 CA SER A 32 3.965 7.241 1.474 1.00 0.00 C ATOM 476 C SER A 32 4.160 7.995 2.788 1.00 0.00 C ATOM 477 O SER A 32 5.243 8.046 3.338 1.00 0.00 O ATOM 478 CB SER A 32 2.499 6.829 1.342 1.00 0.00 C ATOM 479 OG SER A 32 1.703 7.989 1.133 1.00 0.00 O ATOM 0 H SER A 32 4.351 5.167 1.764 1.00 0.00 H new ATOM 0 HA SER A 32 4.243 7.884 0.639 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.377 6.135 0.510 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.173 6.307 2.242 1.00 0.00 H new ATOM 0 HG SER A 32 0.762 7.729 1.046 1.00 0.00 H new ATOM 485 N SER A 33 3.112 8.582 3.293 1.00 0.00 N ATOM 486 CA SER A 33 3.206 9.344 4.576 1.00 0.00 C ATOM 487 C SER A 33 1.930 9.113 5.379 1.00 0.00 C ATOM 488 O SER A 33 1.949 9.026 6.590 1.00 0.00 O ATOM 489 CB SER A 33 3.332 10.830 4.264 1.00 0.00 C ATOM 490 OG SER A 33 2.043 11.363 3.991 1.00 0.00 O ATOM 0 H SER A 33 2.184 8.568 2.870 1.00 0.00 H new ATOM 0 HA SER A 33 4.073 9.010 5.146 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.784 11.353 5.107 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.989 10.979 3.407 1.00 0.00 H new ATOM 0 HG SER A 33 2.120 12.319 3.792 1.00 0.00 H new ATOM 496 N LEU A 34 0.822 9.023 4.696 1.00 0.00 N ATOM 497 CA LEU A 34 -0.491 8.802 5.375 1.00 0.00 C ATOM 498 C LEU A 34 -0.333 7.808 6.528 1.00 0.00 C ATOM 499 O LEU A 34 -0.655 8.099 7.662 1.00 0.00 O ATOM 500 CB LEU A 34 -1.495 8.238 4.366 1.00 0.00 C ATOM 501 CG LEU A 34 -1.363 8.964 3.026 1.00 0.00 C ATOM 502 CD1 LEU A 34 -2.495 8.520 2.096 1.00 0.00 C ATOM 503 CD2 LEU A 34 -1.444 10.477 3.251 1.00 0.00 C ATOM 0 H LEU A 34 0.768 9.094 3.680 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.848 9.754 5.769 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.322 7.171 4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.509 8.350 4.750 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.403 8.720 2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.404 9.036 1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.433 7.444 1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.456 8.764 2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.350 10.993 2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.403 10.727 3.705 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.637 10.790 3.913 1.00 0.00 H new ATOM 515 N CYS A 35 0.153 6.637 6.239 1.00 0.00 N ATOM 516 CA CYS A 35 0.327 5.620 7.313 1.00 0.00 C ATOM 517 C CYS A 35 1.464 6.053 8.244 1.00 0.00 C ATOM 518 O CYS A 35 2.542 6.392 7.809 1.00 0.00 O ATOM 519 CB CYS A 35 0.645 4.258 6.684 1.00 0.00 C ATOM 520 SG CYS A 35 1.766 4.474 5.280 1.00 0.00 S ATOM 0 H CYS A 35 0.438 6.338 5.306 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.593 5.535 7.891 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.100 3.602 7.426 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.276 3.776 6.355 1.00 0.00 H new ATOM 525 N SER A 36 1.214 6.068 9.523 1.00 0.00 N ATOM 526 CA SER A 36 2.263 6.491 10.498 1.00 0.00 C ATOM 527 C SER A 36 3.430 5.493 10.529 1.00 0.00 C ATOM 528 O SER A 36 4.046 5.300 11.558 1.00 0.00 O ATOM 529 CB SER A 36 1.643 6.581 11.892 1.00 0.00 C ATOM 530 OG SER A 36 2.664 6.852 12.843 1.00 0.00 O ATOM 0 H SER A 36 0.322 5.804 9.940 1.00 0.00 H new ATOM 0 HA SER A 36 2.650 7.462 10.188 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.889 7.367 11.917 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.138 5.647 12.139 1.00 0.00 H new ATOM 0 HG SER A 36 3.259 6.076 12.914 1.00 0.00 H new ATOM 536 N GLN A 37 3.753 4.848 9.434 1.00 0.00 N ATOM 537 CA GLN A 37 4.890 3.874 9.469 1.00 0.00 C ATOM 538 C GLN A 37 5.532 3.729 8.080 1.00 0.00 C ATOM 539 O GLN A 37 5.473 2.667 7.493 1.00 0.00 O ATOM 540 CB GLN A 37 4.368 2.508 9.928 1.00 0.00 C ATOM 541 CG GLN A 37 3.075 2.172 9.180 1.00 0.00 C ATOM 542 CD GLN A 37 2.585 0.787 9.605 1.00 0.00 C ATOM 543 OE1 GLN A 37 2.074 0.037 8.798 1.00 0.00 O ATOM 544 NE2 GLN A 37 2.720 0.413 10.848 1.00 0.00 N ATOM 0 H GLN A 37 3.288 4.950 8.532 1.00 0.00 H new ATOM 0 HA GLN A 37 5.644 4.245 10.163 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.118 1.740 9.741 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.185 2.520 11.003 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.313 2.921 9.395 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.249 2.194 8.104 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.149 1.042 11.526 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.396 -0.509 11.141 1.00 0.00 H new ATOM 553 N PRO A 38 6.147 4.786 7.595 1.00 0.00 N ATOM 554 CA PRO A 38 6.820 4.753 6.284 1.00 0.00 C ATOM 555 C PRO A 38 8.079 3.879 6.383 1.00 0.00 C ATOM 556 O PRO A 38 8.425 3.382 7.437 1.00 0.00 O ATOM 557 CB PRO A 38 7.189 6.227 5.995 1.00 0.00 C ATOM 558 CG PRO A 38 6.926 7.034 7.300 1.00 0.00 C ATOM 559 CD PRO A 38 6.216 6.088 8.296 1.00 0.00 C ATOM 0 HA PRO A 38 6.199 4.334 5.492 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.234 6.310 5.696 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.590 6.619 5.173 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.863 7.400 7.720 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.307 7.907 7.093 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.773 6.006 9.229 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.221 6.454 8.549 1.00 0.00 H new ATOM 567 N ALA A 39 8.763 3.701 5.293 1.00 0.00 N ATOM 568 CA ALA A 39 9.999 2.881 5.295 1.00 0.00 C ATOM 569 C ALA A 39 10.722 3.119 3.973 1.00 0.00 C ATOM 570 O ALA A 39 10.171 3.701 3.061 1.00 0.00 O ATOM 571 CB ALA A 39 9.637 1.401 5.423 1.00 0.00 C ATOM 0 H ALA A 39 8.513 4.096 4.386 1.00 0.00 H new ATOM 0 HA ALA A 39 10.637 3.158 6.134 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.548 0.802 5.424 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.095 1.238 6.354 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.010 1.106 4.582 1.00 0.00 H new ATOM 577 N VAL A 40 11.939 2.663 3.845 1.00 0.00 N ATOM 578 CA VAL A 40 12.674 2.858 2.560 1.00 0.00 C ATOM 579 C VAL A 40 12.550 1.577 1.743 1.00 0.00 C ATOM 580 O VAL A 40 12.703 0.486 2.254 1.00 0.00 O ATOM 581 CB VAL A 40 14.153 3.158 2.842 1.00 0.00 C ATOM 582 CG1 VAL A 40 14.976 2.977 1.562 1.00 0.00 C ATOM 583 CG2 VAL A 40 14.284 4.603 3.317 1.00 0.00 C ATOM 0 H VAL A 40 12.455 2.166 4.571 1.00 0.00 H new ATOM 0 HA VAL A 40 12.252 3.698 2.009 1.00 0.00 H new ATOM 0 HB VAL A 40 14.521 2.474 3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 40 16.024 3.192 1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 40 14.879 1.950 1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.611 3.660 0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 40 15.332 4.826 3.520 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.913 5.275 2.543 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.701 4.741 4.227 1.00 0.00 H new ATOM 593 N VAL A 41 12.263 1.712 0.479 1.00 0.00 N ATOM 594 CA VAL A 41 12.108 0.514 -0.405 1.00 0.00 C ATOM 595 C VAL A 41 13.269 0.455 -1.400 1.00 0.00 C ATOM 596 O VAL A 41 13.478 1.362 -2.175 1.00 0.00 O ATOM 597 CB VAL A 41 10.779 0.615 -1.160 1.00 0.00 C ATOM 598 CG1 VAL A 41 10.387 -0.759 -1.698 1.00 0.00 C ATOM 599 CG2 VAL A 41 9.689 1.106 -0.203 1.00 0.00 C ATOM 0 H VAL A 41 12.127 2.609 0.012 1.00 0.00 H new ATOM 0 HA VAL A 41 12.114 -0.393 0.200 1.00 0.00 H new ATOM 0 HB VAL A 41 10.888 1.314 -1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.441 -0.683 -2.234 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.161 -1.119 -2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.279 -1.457 -0.868 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.742 1.179 -0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.586 0.403 0.623 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.962 2.086 0.187 1.00 0.00 H new ATOM 609 N PHE A 42 14.038 -0.603 -1.383 1.00 0.00 N ATOM 610 CA PHE A 42 15.193 -0.701 -2.328 1.00 0.00 C ATOM 611 C PHE A 42 14.764 -1.400 -3.621 1.00 0.00 C ATOM 612 O PHE A 42 14.085 -2.408 -3.604 1.00 0.00 O ATOM 613 CB PHE A 42 16.323 -1.509 -1.676 1.00 0.00 C ATOM 614 CG PHE A 42 17.060 -0.652 -0.670 1.00 0.00 C ATOM 615 CD1 PHE A 42 17.774 0.485 -1.101 1.00 0.00 C ATOM 616 CD2 PHE A 42 17.039 -0.992 0.697 1.00 0.00 C ATOM 617 CE1 PHE A 42 18.463 1.279 -0.166 1.00 0.00 C ATOM 618 CE2 PHE A 42 17.731 -0.198 1.630 1.00 0.00 C ATOM 619 CZ PHE A 42 18.443 0.938 1.199 1.00 0.00 C ATOM 0 H PHE A 42 13.918 -1.401 -0.759 1.00 0.00 H new ATOM 0 HA PHE A 42 15.540 0.306 -2.561 1.00 0.00 H new ATOM 0 HB2 PHE A 42 15.913 -2.391 -1.183 1.00 0.00 H new ATOM 0 HB3 PHE A 42 17.015 -1.863 -2.440 1.00 0.00 H new ATOM 0 HD1 PHE A 42 17.792 0.746 -2.149 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.492 -1.862 1.029 1.00 0.00 H new ATOM 0 HE1 PHE A 42 19.008 2.151 -0.496 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.716 -0.460 2.678 1.00 0.00 H new ATOM 0 HZ PHE A 42 18.973 1.547 1.916 1.00 0.00 H new ATOM 629 N GLN A 43 15.188 -0.879 -4.743 1.00 0.00 N ATOM 630 CA GLN A 43 14.851 -1.504 -6.056 1.00 0.00 C ATOM 631 C GLN A 43 16.059 -2.340 -6.490 1.00 0.00 C ATOM 632 O GLN A 43 17.159 -1.827 -6.593 1.00 0.00 O ATOM 633 CB GLN A 43 14.580 -0.397 -7.078 1.00 0.00 C ATOM 634 CG GLN A 43 13.338 0.393 -6.657 1.00 0.00 C ATOM 635 CD GLN A 43 13.273 1.700 -7.448 1.00 0.00 C ATOM 636 OE1 GLN A 43 12.831 2.711 -6.938 1.00 0.00 O ATOM 637 NE2 GLN A 43 13.697 1.725 -8.682 1.00 0.00 N ATOM 0 H GLN A 43 15.760 -0.037 -4.806 1.00 0.00 H new ATOM 0 HA GLN A 43 13.965 -2.135 -5.981 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.441 0.268 -7.147 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.431 -0.829 -8.067 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.440 -0.198 -6.836 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.373 0.604 -5.588 1.00 0.00 H new ATOM 0 HE21 GLN A 43 14.068 0.877 -9.111 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.657 2.592 -9.217 1.00 0.00 H new ATOM 646 N THR A 44 15.889 -3.630 -6.703 1.00 0.00 N ATOM 647 CA THR A 44 17.074 -4.482 -7.074 1.00 0.00 C ATOM 648 C THR A 44 17.161 -4.705 -8.583 1.00 0.00 C ATOM 649 O THR A 44 16.554 -4.009 -9.372 1.00 0.00 O ATOM 650 CB THR A 44 16.955 -5.842 -6.391 1.00 0.00 C ATOM 651 OG1 THR A 44 16.093 -6.671 -7.154 1.00 0.00 O ATOM 652 CG2 THR A 44 16.382 -5.660 -4.985 1.00 0.00 C ATOM 0 H THR A 44 14.998 -4.123 -6.638 1.00 0.00 H new ATOM 0 HA THR A 44 17.972 -3.958 -6.747 1.00 0.00 H new ATOM 0 HB THR A 44 17.939 -6.305 -6.319 1.00 0.00 H new ATOM 0 HG1 THR A 44 16.357 -7.608 -7.043 1.00 0.00 H new ATOM 0 HG21 THR A 44 16.297 -6.631 -4.498 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.044 -5.019 -4.403 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.396 -5.200 -5.051 1.00 0.00 H new ATOM 660 N LYS A 45 17.937 -5.688 -8.977 1.00 0.00 N ATOM 661 CA LYS A 45 18.115 -6.006 -10.426 1.00 0.00 C ATOM 662 C LYS A 45 17.361 -7.295 -10.767 1.00 0.00 C ATOM 663 O LYS A 45 17.104 -7.580 -11.920 1.00 0.00 O ATOM 664 CB LYS A 45 19.608 -6.219 -10.722 1.00 0.00 C ATOM 665 CG LYS A 45 20.446 -5.126 -10.054 1.00 0.00 C ATOM 666 CD LYS A 45 21.931 -5.417 -10.297 1.00 0.00 C ATOM 667 CE LYS A 45 22.780 -4.230 -9.830 1.00 0.00 C ATOM 668 NZ LYS A 45 24.184 -4.682 -9.613 1.00 0.00 N ATOM 0 H LYS A 45 18.462 -6.291 -8.343 1.00 0.00 H new ATOM 0 HA LYS A 45 17.728 -5.180 -11.023 1.00 0.00 H new ATOM 0 HB2 LYS A 45 19.921 -7.198 -10.360 1.00 0.00 H new ATOM 0 HB3 LYS A 45 19.777 -6.208 -11.799 1.00 0.00 H new ATOM 0 HG2 LYS A 45 20.183 -4.149 -10.459 1.00 0.00 H new ATOM 0 HG3 LYS A 45 20.239 -5.094 -8.984 1.00 0.00 H new ATOM 0 HD2 LYS A 45 22.226 -6.319 -9.761 1.00 0.00 H new ATOM 0 HD3 LYS A 45 22.105 -5.605 -11.357 1.00 0.00 H new ATOM 0 HE2 LYS A 45 22.753 -3.434 -10.574 1.00 0.00 H new ATOM 0 HE3 LYS A 45 22.372 -3.817 -8.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 24.713 -3.942 -9.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 24.184 -5.555 -9.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 24.636 -4.864 -10.532 1.00 0.00 H new ATOM 682 N ARG A 46 17.017 -8.085 -9.775 1.00 0.00 N ATOM 683 CA ARG A 46 16.292 -9.370 -10.045 1.00 0.00 C ATOM 684 C ARG A 46 15.129 -9.496 -9.054 1.00 0.00 C ATOM 685 O ARG A 46 14.992 -10.471 -8.348 1.00 0.00 O ATOM 686 CB ARG A 46 17.271 -10.548 -9.873 1.00 0.00 C ATOM 687 CG ARG A 46 16.794 -11.791 -10.655 1.00 0.00 C ATOM 688 CD ARG A 46 15.641 -12.495 -9.931 1.00 0.00 C ATOM 689 NE ARG A 46 15.495 -13.876 -10.469 1.00 0.00 N ATOM 690 CZ ARG A 46 14.792 -14.760 -9.814 1.00 0.00 C ATOM 691 NH1 ARG A 46 14.212 -14.432 -8.693 1.00 0.00 N ATOM 692 NH2 ARG A 46 14.669 -15.972 -10.283 1.00 0.00 N ATOM 0 H ARG A 46 17.207 -7.895 -8.791 1.00 0.00 H new ATOM 0 HA ARG A 46 15.902 -9.381 -11.063 1.00 0.00 H new ATOM 0 HB2 ARG A 46 18.261 -10.255 -10.221 1.00 0.00 H new ATOM 0 HB3 ARG A 46 17.365 -10.795 -8.815 1.00 0.00 H new ATOM 0 HG2 ARG A 46 16.472 -11.494 -11.653 1.00 0.00 H new ATOM 0 HG3 ARG A 46 17.625 -12.485 -10.781 1.00 0.00 H new ATOM 0 HD2 ARG A 46 15.835 -12.528 -8.859 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.714 -11.938 -10.070 1.00 0.00 H new ATOM 0 HE ARG A 46 15.944 -14.131 -11.349 1.00 0.00 H new ATOM 0 HH11 ARG A 46 14.307 -13.485 -8.328 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.663 -15.123 -8.182 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.122 -16.228 -11.160 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.120 -16.663 -9.772 1.00 0.00 H new ATOM 706 N SER A 47 14.287 -8.507 -9.003 1.00 0.00 N ATOM 707 CA SER A 47 13.124 -8.556 -8.087 1.00 0.00 C ATOM 708 C SER A 47 12.208 -7.388 -8.436 1.00 0.00 C ATOM 709 O SER A 47 11.749 -7.259 -9.553 1.00 0.00 O ATOM 710 CB SER A 47 13.587 -8.460 -6.626 1.00 0.00 C ATOM 711 OG SER A 47 13.996 -7.132 -6.336 1.00 0.00 O ATOM 0 H SER A 47 14.357 -7.658 -9.564 1.00 0.00 H new ATOM 0 HA SER A 47 12.591 -9.500 -8.201 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.777 -8.755 -5.958 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.412 -9.151 -6.450 1.00 0.00 H new ATOM 0 HG SER A 47 14.872 -6.964 -6.742 1.00 0.00 H new ATOM 717 N LYS A 48 11.962 -6.533 -7.502 1.00 0.00 N ATOM 718 CA LYS A 48 11.099 -5.356 -7.762 1.00 0.00 C ATOM 719 C LYS A 48 11.422 -4.312 -6.705 1.00 0.00 C ATOM 720 O LYS A 48 12.377 -3.568 -6.818 1.00 0.00 O ATOM 721 CB LYS A 48 9.620 -5.747 -7.654 1.00 0.00 C ATOM 722 CG LYS A 48 9.228 -6.653 -8.825 1.00 0.00 C ATOM 723 CD LYS A 48 7.704 -6.723 -8.932 1.00 0.00 C ATOM 724 CE LYS A 48 7.315 -7.554 -10.156 1.00 0.00 C ATOM 725 NZ LYS A 48 7.846 -8.938 -10.006 1.00 0.00 N ATOM 0 H LYS A 48 12.326 -6.596 -6.551 1.00 0.00 H new ATOM 0 HA LYS A 48 11.280 -4.970 -8.765 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.440 -6.261 -6.710 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.998 -4.852 -7.653 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.650 -6.268 -9.753 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.639 -7.652 -8.678 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.286 -7.168 -8.029 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.288 -5.719 -9.014 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.230 -7.579 -10.262 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.714 -7.096 -11.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.120 -9.622 -10.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.691 -9.052 -10.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.098 -9.107 -9.011 1.00 0.00 H new ATOM 739 N GLN A 49 10.636 -4.283 -5.662 1.00 0.00 N ATOM 740 CA GLN A 49 10.860 -3.321 -4.544 1.00 0.00 C ATOM 741 C GLN A 49 11.002 -4.131 -3.245 1.00 0.00 C ATOM 742 O GLN A 49 10.328 -5.127 -3.047 1.00 0.00 O ATOM 743 CB GLN A 49 9.659 -2.339 -4.449 1.00 0.00 C ATOM 744 CG GLN A 49 8.759 -2.467 -5.685 1.00 0.00 C ATOM 745 CD GLN A 49 9.561 -2.135 -6.943 1.00 0.00 C ATOM 746 OE1 GLN A 49 10.723 -1.789 -6.863 1.00 0.00 O ATOM 747 NE2 GLN A 49 8.987 -2.227 -8.112 1.00 0.00 N ATOM 0 H GLN A 49 9.832 -4.898 -5.536 1.00 0.00 H new ATOM 0 HA GLN A 49 11.763 -2.734 -4.714 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.081 -2.548 -3.549 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.025 -1.316 -4.363 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.360 -3.479 -5.753 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.906 -1.794 -5.597 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.012 -2.517 -8.180 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.514 -2.008 -8.958 1.00 0.00 H new ATOM 756 N VAL A 50 11.876 -3.717 -2.363 1.00 0.00 N ATOM 757 CA VAL A 50 12.071 -4.457 -1.074 1.00 0.00 C ATOM 758 C VAL A 50 12.034 -3.462 0.077 1.00 0.00 C ATOM 759 O VAL A 50 12.799 -2.526 0.115 1.00 0.00 O ATOM 760 CB VAL A 50 13.429 -5.165 -1.086 1.00 0.00 C ATOM 761 CG1 VAL A 50 13.521 -6.108 0.116 1.00 0.00 C ATOM 762 CG2 VAL A 50 13.578 -5.961 -2.387 1.00 0.00 C ATOM 0 H VAL A 50 12.467 -2.894 -2.479 1.00 0.00 H new ATOM 0 HA VAL A 50 11.280 -5.197 -0.954 1.00 0.00 H new ATOM 0 HB VAL A 50 14.229 -4.427 -1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 50 14.487 -6.613 0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.418 -5.534 1.037 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.724 -6.849 0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.544 -6.465 -2.396 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.781 -6.702 -2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.514 -5.283 -3.238 1.00 0.00 H new ATOM 772 N CYS A 51 11.153 -3.660 1.016 1.00 0.00 N ATOM 773 CA CYS A 51 11.061 -2.713 2.158 1.00 0.00 C ATOM 774 C CYS A 51 12.275 -2.895 3.065 1.00 0.00 C ATOM 775 O CYS A 51 12.824 -3.974 3.179 1.00 0.00 O ATOM 776 CB CYS A 51 9.783 -3.000 2.946 1.00 0.00 C ATOM 777 SG CYS A 51 8.342 -2.701 1.891 1.00 0.00 S ATOM 0 H CYS A 51 10.493 -4.437 1.041 1.00 0.00 H new ATOM 0 HA CYS A 51 11.038 -1.688 1.787 1.00 0.00 H new ATOM 0 HB2 CYS A 51 9.783 -4.032 3.296 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.738 -2.364 3.830 1.00 0.00 H new ATOM 782 N ALA A 52 12.709 -1.838 3.701 1.00 0.00 N ATOM 783 CA ALA A 52 13.902 -1.927 4.594 1.00 0.00 C ATOM 784 C ALA A 52 13.677 -1.059 5.834 1.00 0.00 C ATOM 785 O ALA A 52 13.238 0.072 5.744 1.00 0.00 O ATOM 786 CB ALA A 52 15.132 -1.416 3.841 1.00 0.00 C ATOM 0 H ALA A 52 12.286 -0.912 3.640 1.00 0.00 H new ATOM 0 HA ALA A 52 14.055 -2.963 4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.007 -1.479 4.488 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.294 -2.026 2.952 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.973 -0.379 3.545 1.00 0.00 H new ATOM 792 N ASP A 53 13.976 -1.582 6.993 1.00 0.00 N ATOM 793 CA ASP A 53 13.783 -0.796 8.243 1.00 0.00 C ATOM 794 C ASP A 53 14.805 0.367 8.281 1.00 0.00 C ATOM 795 O ASP A 53 15.991 0.104 8.315 1.00 0.00 O ATOM 796 CB ASP A 53 14.033 -1.712 9.444 1.00 0.00 C ATOM 797 CG ASP A 53 13.536 -1.028 10.719 1.00 0.00 C ATOM 798 OD1 ASP A 53 13.611 0.189 10.783 1.00 0.00 O ATOM 799 OD2 ASP A 53 13.090 -1.731 11.611 1.00 0.00 O ATOM 0 H ASP A 53 14.347 -2.523 7.127 1.00 0.00 H new ATOM 0 HA ASP A 53 12.769 -0.397 8.275 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.518 -2.662 9.304 1.00 0.00 H new ATOM 0 HB3 ASP A 53 15.096 -1.936 9.529 1.00 0.00 H new ATOM 804 N PRO A 54 14.360 1.620 8.279 1.00 0.00 N ATOM 805 CA PRO A 54 15.307 2.755 8.318 1.00 0.00 C ATOM 806 C PRO A 54 16.143 2.697 9.605 1.00 0.00 C ATOM 807 O PRO A 54 17.065 3.465 9.794 1.00 0.00 O ATOM 808 CB PRO A 54 14.421 4.022 8.290 1.00 0.00 C ATOM 809 CG PRO A 54 12.938 3.558 8.228 1.00 0.00 C ATOM 810 CD PRO A 54 12.930 2.013 8.237 1.00 0.00 C ATOM 0 HA PRO A 54 16.010 2.740 7.485 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.595 4.630 9.177 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.665 4.641 7.426 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.379 3.949 9.078 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.455 3.938 7.328 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.389 1.626 9.101 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.438 1.616 7.349 1.00 0.00 H new ATOM 818 N SER A 55 15.812 1.805 10.496 1.00 0.00 N ATOM 819 CA SER A 55 16.569 1.711 11.778 1.00 0.00 C ATOM 820 C SER A 55 17.907 1.004 11.551 1.00 0.00 C ATOM 821 O SER A 55 18.818 1.118 12.347 1.00 0.00 O ATOM 822 CB SER A 55 15.744 0.921 12.795 1.00 0.00 C ATOM 823 OG SER A 55 15.543 -0.400 12.311 1.00 0.00 O ATOM 0 H SER A 55 15.049 1.136 10.393 1.00 0.00 H new ATOM 0 HA SER A 55 16.758 2.716 12.154 1.00 0.00 H new ATOM 0 HB2 SER A 55 16.258 0.894 13.756 1.00 0.00 H new ATOM 0 HB3 SER A 55 14.784 1.410 12.961 1.00 0.00 H new ATOM 0 HG SER A 55 14.912 -0.870 12.895 1.00 0.00 H new ATOM 829 N GLU A 56 18.043 0.278 10.474 1.00 0.00 N ATOM 830 CA GLU A 56 19.334 -0.424 10.214 1.00 0.00 C ATOM 831 C GLU A 56 20.333 0.568 9.609 1.00 0.00 C ATOM 832 O GLU A 56 20.109 1.142 8.561 1.00 0.00 O ATOM 833 CB GLU A 56 19.098 -1.589 9.250 1.00 0.00 C ATOM 834 CG GLU A 56 18.533 -2.790 10.014 1.00 0.00 C ATOM 835 CD GLU A 56 18.103 -3.872 9.022 1.00 0.00 C ATOM 836 OE1 GLU A 56 17.119 -3.660 8.334 1.00 0.00 O ATOM 837 OE2 GLU A 56 18.767 -4.894 8.966 1.00 0.00 O ATOM 0 H GLU A 56 17.321 0.141 9.767 1.00 0.00 H new ATOM 0 HA GLU A 56 19.737 -0.816 11.148 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.405 -1.288 8.464 1.00 0.00 H new ATOM 0 HB3 GLU A 56 20.033 -1.864 8.762 1.00 0.00 H new ATOM 0 HG2 GLU A 56 19.285 -3.186 10.697 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.683 -2.480 10.621 1.00 0.00 H new ATOM 844 N SER A 57 21.424 0.779 10.285 1.00 0.00 N ATOM 845 CA SER A 57 22.455 1.740 9.801 1.00 0.00 C ATOM 846 C SER A 57 22.816 1.489 8.334 1.00 0.00 C ATOM 847 O SER A 57 23.017 2.419 7.578 1.00 0.00 O ATOM 848 CB SER A 57 23.713 1.600 10.659 1.00 0.00 C ATOM 849 OG SER A 57 24.442 0.454 10.238 1.00 0.00 O ATOM 0 H SER A 57 21.651 0.320 11.167 1.00 0.00 H new ATOM 0 HA SER A 57 22.045 2.747 9.882 1.00 0.00 H new ATOM 0 HB2 SER A 57 24.331 2.493 10.567 1.00 0.00 H new ATOM 0 HB3 SER A 57 23.442 1.507 11.711 1.00 0.00 H new ATOM 0 HG SER A 57 25.250 0.362 10.784 1.00 0.00 H new ATOM 855 N TRP A 58 22.929 0.256 7.920 1.00 0.00 N ATOM 856 CA TRP A 58 23.310 0.005 6.501 1.00 0.00 C ATOM 857 C TRP A 58 22.262 0.611 5.574 1.00 0.00 C ATOM 858 O TRP A 58 22.565 1.047 4.484 1.00 0.00 O ATOM 859 CB TRP A 58 23.487 -1.498 6.238 1.00 0.00 C ATOM 860 CG TRP A 58 22.172 -2.204 6.117 1.00 0.00 C ATOM 861 CD1 TRP A 58 21.646 -3.016 7.063 1.00 0.00 C ATOM 862 CD2 TRP A 58 21.232 -2.215 5.000 1.00 0.00 C ATOM 863 NE1 TRP A 58 20.447 -3.527 6.602 1.00 0.00 N ATOM 864 CE2 TRP A 58 20.140 -3.060 5.343 1.00 0.00 C ATOM 865 CE3 TRP A 58 21.211 -1.581 3.735 1.00 0.00 C ATOM 866 CZ2 TRP A 58 19.069 -3.269 4.465 1.00 0.00 C ATOM 867 CZ3 TRP A 58 20.133 -1.790 2.848 1.00 0.00 C ATOM 868 CH2 TRP A 58 19.063 -2.631 3.214 1.00 0.00 C ATOM 0 H TRP A 58 22.777 -0.575 8.491 1.00 0.00 H new ATOM 0 HA TRP A 58 24.269 0.483 6.301 1.00 0.00 H new ATOM 0 HB2 TRP A 58 24.061 -1.641 5.322 1.00 0.00 H new ATOM 0 HB3 TRP A 58 24.064 -1.943 7.049 1.00 0.00 H new ATOM 0 HD1 TRP A 58 22.091 -3.230 8.023 1.00 0.00 H new ATOM 0 HE1 TRP A 58 19.860 -4.172 7.131 1.00 0.00 H new ATOM 0 HE3 TRP A 58 22.025 -0.933 3.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 18.253 -3.917 4.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 20.128 -1.303 1.884 1.00 0.00 H new ATOM 0 HH2 TRP A 58 18.239 -2.785 2.533 1.00 0.00 H new ATOM 879 N VAL A 59 21.037 0.677 6.000 1.00 0.00 N ATOM 880 CA VAL A 59 19.995 1.282 5.132 1.00 0.00 C ATOM 881 C VAL A 59 20.308 2.762 4.960 1.00 0.00 C ATOM 882 O VAL A 59 20.281 3.290 3.868 1.00 0.00 O ATOM 883 CB VAL A 59 18.628 1.107 5.787 1.00 0.00 C ATOM 884 CG1 VAL A 59 17.548 1.767 4.926 1.00 0.00 C ATOM 885 CG2 VAL A 59 18.349 -0.388 5.917 1.00 0.00 C ATOM 0 H VAL A 59 20.712 0.341 6.906 1.00 0.00 H new ATOM 0 HA VAL A 59 19.983 0.795 4.157 1.00 0.00 H new ATOM 0 HB VAL A 59 18.620 1.577 6.770 1.00 0.00 H new ATOM 0 HG11 VAL A 59 16.575 1.638 5.400 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.764 2.831 4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.535 1.303 3.940 1.00 0.00 H new ATOM 0 HG21 VAL A 59 17.375 -0.537 6.384 1.00 0.00 H new ATOM 0 HG22 VAL A 59 18.351 -0.846 4.928 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.121 -0.850 6.533 1.00 0.00 H new ATOM 895 N GLN A 60 20.628 3.431 6.027 1.00 0.00 N ATOM 896 CA GLN A 60 20.968 4.875 5.911 1.00 0.00 C ATOM 897 C GLN A 60 22.237 5.022 5.068 1.00 0.00 C ATOM 898 O GLN A 60 22.369 5.932 4.274 1.00 0.00 O ATOM 899 CB GLN A 60 21.205 5.462 7.304 1.00 0.00 C ATOM 900 CG GLN A 60 19.900 5.427 8.099 1.00 0.00 C ATOM 901 CD GLN A 60 18.956 6.515 7.582 1.00 0.00 C ATOM 902 OE1 GLN A 60 17.908 6.221 7.043 1.00 0.00 O ATOM 903 NE2 GLN A 60 19.285 7.770 7.727 1.00 0.00 N ATOM 0 H GLN A 60 20.669 3.045 6.970 1.00 0.00 H new ATOM 0 HA GLN A 60 20.146 5.409 5.435 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.976 4.893 7.824 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.566 6.487 7.222 1.00 0.00 H new ATOM 0 HG2 GLN A 60 19.430 4.448 8.004 1.00 0.00 H new ATOM 0 HG3 GLN A 60 20.103 5.581 9.159 1.00 0.00 H new ATOM 0 HE21 GLN A 60 20.165 8.018 8.180 1.00 0.00 H new ATOM 0 HE22 GLN A 60 18.662 8.503 7.388 1.00 0.00 H new ATOM 912 N GLU A 61 23.170 4.125 5.238 1.00 0.00 N ATOM 913 CA GLU A 61 24.438 4.196 4.453 1.00 0.00 C ATOM 914 C GLU A 61 24.144 3.975 2.967 1.00 0.00 C ATOM 915 O GLU A 61 24.569 4.735 2.120 1.00 0.00 O ATOM 916 CB GLU A 61 25.403 3.118 4.947 1.00 0.00 C ATOM 917 CG GLU A 61 26.779 3.334 4.313 1.00 0.00 C ATOM 918 CD GLU A 61 27.717 2.199 4.729 1.00 0.00 C ATOM 919 OE1 GLU A 61 27.217 1.154 5.112 1.00 0.00 O ATOM 920 OE2 GLU A 61 28.919 2.395 4.657 1.00 0.00 O ATOM 0 H GLU A 61 23.109 3.342 5.889 1.00 0.00 H new ATOM 0 HA GLU A 61 24.888 5.180 4.587 1.00 0.00 H new ATOM 0 HB2 GLU A 61 25.482 3.156 6.034 1.00 0.00 H new ATOM 0 HB3 GLU A 61 25.023 2.129 4.689 1.00 0.00 H new ATOM 0 HG2 GLU A 61 26.690 3.367 3.227 1.00 0.00 H new ATOM 0 HG3 GLU A 61 27.190 4.293 4.628 1.00 0.00 H new ATOM 927 N TYR A 62 23.424 2.937 2.644 1.00 0.00 N ATOM 928 CA TYR A 62 23.105 2.662 1.213 1.00 0.00 C ATOM 929 C TYR A 62 22.294 3.831 0.644 1.00 0.00 C ATOM 930 O TYR A 62 22.458 4.211 -0.498 1.00 0.00 O ATOM 931 CB TYR A 62 22.286 1.363 1.101 1.00 0.00 C ATOM 932 CG TYR A 62 23.197 0.146 1.132 1.00 0.00 C ATOM 933 CD1 TYR A 62 24.158 -0.010 2.153 1.00 0.00 C ATOM 934 CD2 TYR A 62 23.074 -0.844 0.133 1.00 0.00 C ATOM 935 CE1 TYR A 62 24.989 -1.148 2.174 1.00 0.00 C ATOM 936 CE2 TYR A 62 23.905 -1.979 0.154 1.00 0.00 C ATOM 937 CZ TYR A 62 24.862 -2.131 1.174 1.00 0.00 C ATOM 938 OH TYR A 62 25.676 -3.246 1.195 1.00 0.00 O ATOM 0 H TYR A 62 23.042 2.265 3.310 1.00 0.00 H new ATOM 0 HA TYR A 62 24.031 2.549 0.650 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.570 1.308 1.921 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.711 1.369 0.175 1.00 0.00 H new ATOM 0 HD1 TYR A 62 24.257 0.744 2.920 1.00 0.00 H new ATOM 0 HD2 TYR A 62 22.339 -0.730 -0.650 1.00 0.00 H new ATOM 0 HE1 TYR A 62 25.723 -1.266 2.957 1.00 0.00 H new ATOM 0 HE2 TYR A 62 23.808 -2.733 -0.613 1.00 0.00 H new ATOM 0 HH TYR A 62 25.458 -3.825 0.435 1.00 0.00 H new ATOM 948 N VAL A 63 21.431 4.410 1.431 1.00 0.00 N ATOM 949 CA VAL A 63 20.629 5.555 0.933 1.00 0.00 C ATOM 950 C VAL A 63 21.579 6.711 0.657 1.00 0.00 C ATOM 951 O VAL A 63 21.448 7.426 -0.314 1.00 0.00 O ATOM 952 CB VAL A 63 19.604 5.958 2.001 1.00 0.00 C ATOM 953 CG1 VAL A 63 18.980 7.312 1.648 1.00 0.00 C ATOM 954 CG2 VAL A 63 18.503 4.896 2.071 1.00 0.00 C ATOM 0 H VAL A 63 21.248 4.138 2.397 1.00 0.00 H new ATOM 0 HA VAL A 63 20.096 5.286 0.021 1.00 0.00 H new ATOM 0 HB VAL A 63 20.106 6.037 2.965 1.00 0.00 H new ATOM 0 HG11 VAL A 63 18.254 7.588 2.413 1.00 0.00 H new ATOM 0 HG12 VAL A 63 19.761 8.071 1.598 1.00 0.00 H new ATOM 0 HG13 VAL A 63 18.480 7.242 0.682 1.00 0.00 H new ATOM 0 HG21 VAL A 63 17.772 5.179 2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 63 18.009 4.819 1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 63 18.942 3.933 2.332 1.00 0.00 H new ATOM 964 N TYR A 64 22.543 6.890 1.512 1.00 0.00 N ATOM 965 CA TYR A 64 23.517 7.989 1.314 1.00 0.00 C ATOM 966 C TYR A 64 24.298 7.736 0.027 1.00 0.00 C ATOM 967 O TYR A 64 24.540 8.629 -0.758 1.00 0.00 O ATOM 968 CB TYR A 64 24.481 8.028 2.503 1.00 0.00 C ATOM 969 CG TYR A 64 25.166 9.375 2.567 1.00 0.00 C ATOM 970 CD1 TYR A 64 24.448 10.509 2.993 1.00 0.00 C ATOM 971 CD2 TYR A 64 26.521 9.497 2.200 1.00 0.00 C ATOM 972 CE1 TYR A 64 25.085 11.764 3.054 1.00 0.00 C ATOM 973 CE2 TYR A 64 27.156 10.752 2.260 1.00 0.00 C ATOM 974 CZ TYR A 64 26.438 11.885 2.686 1.00 0.00 C ATOM 975 OH TYR A 64 27.062 13.115 2.745 1.00 0.00 O ATOM 0 H TYR A 64 22.697 6.319 2.343 1.00 0.00 H new ATOM 0 HA TYR A 64 22.994 8.943 1.241 1.00 0.00 H new ATOM 0 HB2 TYR A 64 23.937 7.843 3.429 1.00 0.00 H new ATOM 0 HB3 TYR A 64 25.224 7.237 2.406 1.00 0.00 H new ATOM 0 HD1 TYR A 64 23.409 10.417 3.273 1.00 0.00 H new ATOM 0 HD2 TYR A 64 27.072 8.628 1.873 1.00 0.00 H new ATOM 0 HE1 TYR A 64 24.535 12.633 3.383 1.00 0.00 H new ATOM 0 HE2 TYR A 64 28.195 10.845 1.979 1.00 0.00 H new ATOM 0 HH TYR A 64 27.995 13.023 2.458 1.00 0.00 H new ATOM 985 N ASP A 65 24.694 6.515 -0.185 1.00 0.00 N ATOM 986 CA ASP A 65 25.468 6.176 -1.413 1.00 0.00 C ATOM 987 C ASP A 65 24.621 6.475 -2.653 1.00 0.00 C ATOM 988 O ASP A 65 25.125 6.890 -3.677 1.00 0.00 O ATOM 989 CB ASP A 65 25.826 4.687 -1.382 1.00 0.00 C ATOM 990 CG ASP A 65 27.018 4.461 -0.447 1.00 0.00 C ATOM 991 OD1 ASP A 65 27.045 5.076 0.606 1.00 0.00 O ATOM 992 OD2 ASP A 65 27.884 3.679 -0.802 1.00 0.00 O ATOM 0 H ASP A 65 24.515 5.731 0.442 1.00 0.00 H new ATOM 0 HA ASP A 65 26.379 6.773 -1.450 1.00 0.00 H new ATOM 0 HB2 ASP A 65 24.970 4.104 -1.042 1.00 0.00 H new ATOM 0 HB3 ASP A 65 26.069 4.341 -2.387 1.00 0.00 H new ATOM 997 N LEU A 66 23.339 6.267 -2.565 1.00 0.00 N ATOM 998 CA LEU A 66 22.454 6.535 -3.733 1.00 0.00 C ATOM 999 C LEU A 66 22.330 8.048 -3.937 1.00 0.00 C ATOM 1000 O LEU A 66 22.156 8.525 -5.041 1.00 0.00 O ATOM 1001 CB LEU A 66 21.072 5.928 -3.454 1.00 0.00 C ATOM 1002 CG LEU A 66 21.084 4.413 -3.747 1.00 0.00 C ATOM 1003 CD1 LEU A 66 19.943 3.732 -2.985 1.00 0.00 C ATOM 1004 CD2 LEU A 66 20.885 4.159 -5.251 1.00 0.00 C ATOM 0 H LEU A 66 22.863 5.922 -1.732 1.00 0.00 H new ATOM 0 HA LEU A 66 22.873 6.088 -4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 66 20.794 6.102 -2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 66 20.320 6.419 -4.072 1.00 0.00 H new ATOM 0 HG LEU A 66 22.045 4.008 -3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 66 19.954 2.662 -3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 66 20.072 3.894 -1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.990 4.154 -3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 66 20.896 3.086 -5.443 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.928 4.575 -5.567 1.00 0.00 H new ATOM 0 HD23 LEU A 66 21.690 4.636 -5.810 1.00 0.00 H new ATOM 1016 N GLU A 67 22.425 8.803 -2.881 1.00 0.00 N ATOM 1017 CA GLU A 67 22.320 10.284 -3.009 1.00 0.00 C ATOM 1018 C GLU A 67 23.598 10.824 -3.649 1.00 0.00 C ATOM 1019 O GLU A 67 23.590 11.833 -4.327 1.00 0.00 O ATOM 1020 CB GLU A 67 22.151 10.902 -1.620 1.00 0.00 C ATOM 1021 CG GLU A 67 20.810 10.468 -1.022 1.00 0.00 C ATOM 1022 CD GLU A 67 19.678 11.303 -1.625 1.00 0.00 C ATOM 1023 OE1 GLU A 67 19.554 12.457 -1.247 1.00 0.00 O ATOM 1024 OE2 GLU A 67 18.956 10.776 -2.454 1.00 0.00 O ATOM 0 H GLU A 67 22.571 8.459 -1.932 1.00 0.00 H new ATOM 0 HA GLU A 67 21.461 10.539 -3.629 1.00 0.00 H new ATOM 0 HB2 GLU A 67 22.968 10.589 -0.970 1.00 0.00 H new ATOM 0 HB3 GLU A 67 22.196 11.989 -1.687 1.00 0.00 H new ATOM 0 HG2 GLU A 67 20.639 9.410 -1.220 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.828 10.591 0.061 1.00 0.00 H new ATOM 1031 N LEU A 68 24.698 10.156 -3.442 1.00 0.00 N ATOM 1032 CA LEU A 68 25.980 10.626 -4.042 1.00 0.00 C ATOM 1033 C LEU A 68 26.011 10.264 -5.527 1.00 0.00 C ATOM 1034 O LEU A 68 25.563 11.017 -6.369 1.00 0.00 O ATOM 1035 CB LEU A 68 27.156 9.957 -3.335 1.00 0.00 C ATOM 1036 CG LEU A 68 27.184 10.369 -1.859 1.00 0.00 C ATOM 1037 CD1 LEU A 68 28.319 9.620 -1.170 1.00 0.00 C ATOM 1038 CD2 LEU A 68 27.411 11.889 -1.726 1.00 0.00 C ATOM 0 H LEU A 68 24.766 9.305 -2.884 1.00 0.00 H new ATOM 0 HA LEU A 68 26.055 11.707 -3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 68 27.071 8.873 -3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 68 28.091 10.241 -3.818 1.00 0.00 H new ATOM 0 HG LEU A 68 26.229 10.123 -1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 68 28.354 9.901 -0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 68 28.150 8.546 -1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 68 29.266 9.876 -1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 68 27.428 12.163 -0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 68 28.362 12.156 -2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.603 12.423 -2.227 1.00 0.00 H new ATOM 1050 N ASN A 69 26.537 9.115 -5.860 1.00 0.00 N ATOM 1051 CA ASN A 69 26.599 8.701 -7.291 1.00 0.00 C ATOM 1052 C ASN A 69 25.318 7.951 -7.661 1.00 0.00 C ATOM 1053 O ASN A 69 25.231 7.484 -8.786 1.00 0.00 O ATOM 1054 CB ASN A 69 27.804 7.782 -7.503 1.00 0.00 C ATOM 1055 CG ASN A 69 27.758 6.637 -6.490 1.00 0.00 C ATOM 1056 OD1 ASN A 69 28.670 5.838 -6.416 1.00 0.00 O ATOM 1057 ND2 ASN A 69 26.725 6.522 -5.701 1.00 0.00 N ATOM 1058 OXT ASN A 69 24.446 7.853 -6.814 1.00 0.00 O ATOM 0 H ASN A 69 26.928 8.443 -5.199 1.00 0.00 H new ATOM 0 HA ASN A 69 26.698 9.585 -7.921 1.00 0.00 H new ATOM 0 HB2 ASN A 69 27.797 7.384 -8.518 1.00 0.00 H new ATOM 0 HB3 ASN A 69 28.730 8.346 -7.388 1.00 0.00 H new ATOM 0 HD21 ASN A 69 26.684 5.761 -5.023 1.00 0.00 H new ATOM 0 HD22 ASN A 69 25.959 7.193 -5.763 1.00 0.00 H new TER 1065 ASN A 69 ATOM 1066 N ALA B 1 8.720 -16.248 -13.903 1.00 0.00 N ATOM 1067 CA ALA B 1 8.180 -14.958 -13.385 1.00 0.00 C ATOM 1068 C ALA B 1 8.332 -14.910 -11.857 1.00 0.00 C ATOM 1069 O ALA B 1 7.346 -14.940 -11.147 1.00 0.00 O ATOM 1070 CB ALA B 1 6.697 -14.851 -13.748 1.00 0.00 C ATOM 0 H1 ALA B 1 9.508 -16.058 -14.555 1.00 0.00 H new ATOM 0 H2 ALA B 1 9.060 -16.826 -13.108 1.00 0.00 H new ATOM 0 H3 ALA B 1 7.969 -16.761 -14.408 1.00 0.00 H new ATOM 0 HA ALA B 1 8.731 -14.129 -13.830 1.00 0.00 H new ATOM 0 HB1 ALA B 1 6.297 -13.909 -13.371 1.00 0.00 H new ATOM 0 HB2 ALA B 1 6.584 -14.886 -14.832 1.00 0.00 H new ATOM 0 HB3 ALA B 1 6.152 -15.682 -13.300 1.00 0.00 H new ATOM 1078 N PRO B 2 9.559 -14.839 -11.384 1.00 0.00 N ATOM 1079 CA PRO B 2 9.823 -14.791 -9.933 1.00 0.00 C ATOM 1080 C PRO B 2 9.189 -13.529 -9.330 1.00 0.00 C ATOM 1081 O PRO B 2 9.193 -12.473 -9.930 1.00 0.00 O ATOM 1082 CB PRO B 2 11.366 -14.770 -9.807 1.00 0.00 C ATOM 1083 CG PRO B 2 11.954 -14.804 -11.250 1.00 0.00 C ATOM 1084 CD PRO B 2 10.766 -14.803 -12.239 1.00 0.00 C ATOM 0 HA PRO B 2 9.396 -15.638 -9.396 1.00 0.00 H new ATOM 0 HB2 PRO B 2 11.696 -13.875 -9.280 1.00 0.00 H new ATOM 0 HB3 PRO B 2 11.715 -15.626 -9.230 1.00 0.00 H new ATOM 0 HG2 PRO B 2 12.596 -13.940 -11.422 1.00 0.00 H new ATOM 0 HG3 PRO B 2 12.570 -15.692 -11.392 1.00 0.00 H new ATOM 0 HD2 PRO B 2 10.777 -13.914 -12.869 1.00 0.00 H new ATOM 0 HD3 PRO B 2 10.805 -15.666 -12.904 1.00 0.00 H new ATOM 1092 N MET B 3 8.645 -13.634 -8.148 1.00 0.00 N ATOM 1093 CA MET B 3 8.014 -12.445 -7.510 1.00 0.00 C ATOM 1094 C MET B 3 9.099 -11.554 -6.903 1.00 0.00 C ATOM 1095 O MET B 3 10.219 -11.978 -6.693 1.00 0.00 O ATOM 1096 CB MET B 3 7.058 -12.906 -6.408 1.00 0.00 C ATOM 1097 CG MET B 3 6.042 -13.890 -6.990 1.00 0.00 C ATOM 1098 SD MET B 3 4.987 -14.524 -5.663 1.00 0.00 S ATOM 1099 CE MET B 3 3.880 -15.509 -6.703 1.00 0.00 C ATOM 0 H MET B 3 8.611 -14.492 -7.597 1.00 0.00 H new ATOM 0 HA MET B 3 7.460 -11.881 -8.261 1.00 0.00 H new ATOM 0 HB2 MET B 3 7.618 -13.380 -5.602 1.00 0.00 H new ATOM 0 HB3 MET B 3 6.543 -12.048 -5.977 1.00 0.00 H new ATOM 0 HG2 MET B 3 5.434 -13.396 -7.748 1.00 0.00 H new ATOM 0 HG3 MET B 3 6.559 -14.713 -7.483 1.00 0.00 H new ATOM 0 HE1 MET B 3 3.133 -15.999 -6.078 1.00 0.00 H new ATOM 0 HE2 MET B 3 3.381 -14.859 -7.422 1.00 0.00 H new ATOM 0 HE3 MET B 3 4.458 -16.264 -7.237 1.00 0.00 H new ATOM 1109 N GLY B 4 8.778 -10.321 -6.619 1.00 0.00 N ATOM 1110 CA GLY B 4 9.794 -9.405 -6.026 1.00 0.00 C ATOM 1111 C GLY B 4 10.280 -9.976 -4.693 1.00 0.00 C ATOM 1112 O GLY B 4 9.948 -11.087 -4.327 1.00 0.00 O ATOM 0 H GLY B 4 7.858 -9.909 -6.772 1.00 0.00 H new ATOM 0 HA2 GLY B 4 10.634 -9.285 -6.710 1.00 0.00 H new ATOM 0 HA3 GLY B 4 9.363 -8.416 -5.874 1.00 0.00 H new ATOM 1116 N SER B 5 11.069 -9.230 -3.962 1.00 0.00 N ATOM 1117 CA SER B 5 11.580 -9.737 -2.653 1.00 0.00 C ATOM 1118 C SER B 5 10.583 -9.387 -1.534 1.00 0.00 C ATOM 1119 O SER B 5 10.043 -10.258 -0.882 1.00 0.00 O ATOM 1120 CB SER B 5 12.961 -9.121 -2.374 1.00 0.00 C ATOM 1121 OG SER B 5 13.887 -10.165 -2.098 1.00 0.00 O ATOM 0 H SER B 5 11.381 -8.292 -4.215 1.00 0.00 H new ATOM 0 HA SER B 5 11.683 -10.822 -2.689 1.00 0.00 H new ATOM 0 HB2 SER B 5 13.294 -8.540 -3.234 1.00 0.00 H new ATOM 0 HB3 SER B 5 12.904 -8.436 -1.528 1.00 0.00 H new ATOM 0 HG SER B 5 14.771 -9.780 -1.921 1.00 0.00 H new ATOM 1127 N ASP B 6 10.333 -8.122 -1.309 1.00 0.00 N ATOM 1128 CA ASP B 6 9.366 -7.734 -0.233 1.00 0.00 C ATOM 1129 C ASP B 6 8.823 -6.322 -0.505 1.00 0.00 C ATOM 1130 O ASP B 6 9.119 -5.403 0.232 1.00 0.00 O ATOM 1131 CB ASP B 6 10.075 -7.749 1.133 1.00 0.00 C ATOM 1132 CG ASP B 6 9.033 -7.821 2.252 1.00 0.00 C ATOM 1133 OD1 ASP B 6 8.487 -8.892 2.457 1.00 0.00 O ATOM 1134 OD2 ASP B 6 8.800 -6.804 2.884 1.00 0.00 O ATOM 0 H ASP B 6 10.752 -7.345 -1.819 1.00 0.00 H new ATOM 0 HA ASP B 6 8.541 -8.446 -0.224 1.00 0.00 H new ATOM 0 HB2 ASP B 6 10.749 -8.603 1.195 1.00 0.00 H new ATOM 0 HB3 ASP B 6 10.685 -6.853 1.247 1.00 0.00 H new ATOM 1139 N PRO B 7 8.045 -6.177 -1.557 1.00 0.00 N ATOM 1140 CA PRO B 7 7.473 -4.865 -1.911 1.00 0.00 C ATOM 1141 C PRO B 7 6.511 -4.395 -0.796 1.00 0.00 C ATOM 1142 O PRO B 7 6.165 -5.169 0.075 1.00 0.00 O ATOM 1143 CB PRO B 7 6.724 -5.104 -3.244 1.00 0.00 C ATOM 1144 CG PRO B 7 6.850 -6.618 -3.588 1.00 0.00 C ATOM 1145 CD PRO B 7 7.680 -7.284 -2.467 1.00 0.00 C ATOM 0 HA PRO B 7 8.229 -4.086 -2.016 1.00 0.00 H new ATOM 0 HB2 PRO B 7 5.676 -4.818 -3.151 1.00 0.00 H new ATOM 0 HB3 PRO B 7 7.152 -4.493 -4.039 1.00 0.00 H new ATOM 0 HG2 PRO B 7 5.864 -7.078 -3.659 1.00 0.00 H new ATOM 0 HG3 PRO B 7 7.335 -6.752 -4.555 1.00 0.00 H new ATOM 0 HD2 PRO B 7 7.102 -8.048 -1.948 1.00 0.00 H new ATOM 0 HD3 PRO B 7 8.567 -7.774 -2.869 1.00 0.00 H new ATOM 1153 N PRO B 8 6.101 -3.141 -0.852 1.00 0.00 N ATOM 1154 CA PRO B 8 5.175 -2.580 0.157 1.00 0.00 C ATOM 1155 C PRO B 8 3.823 -3.312 0.099 1.00 0.00 C ATOM 1156 O PRO B 8 3.725 -4.418 -0.394 1.00 0.00 O ATOM 1157 CB PRO B 8 5.022 -1.090 -0.233 1.00 0.00 C ATOM 1158 CG PRO B 8 5.741 -0.891 -1.598 1.00 0.00 C ATOM 1159 CD PRO B 8 6.519 -2.189 -1.905 1.00 0.00 C ATOM 0 HA PRO B 8 5.544 -2.693 1.176 1.00 0.00 H new ATOM 0 HB2 PRO B 8 3.969 -0.820 -0.311 1.00 0.00 H new ATOM 0 HB3 PRO B 8 5.461 -0.447 0.530 1.00 0.00 H new ATOM 0 HG2 PRO B 8 5.017 -0.682 -2.386 1.00 0.00 H new ATOM 0 HG3 PRO B 8 6.419 -0.039 -1.554 1.00 0.00 H new ATOM 0 HD2 PRO B 8 6.279 -2.568 -2.898 1.00 0.00 H new ATOM 0 HD3 PRO B 8 7.595 -2.020 -1.880 1.00 0.00 H new ATOM 1167 N THR B 9 2.784 -2.694 0.600 1.00 0.00 N ATOM 1168 CA THR B 9 1.439 -3.340 0.576 1.00 0.00 C ATOM 1169 C THR B 9 0.354 -2.263 0.595 1.00 0.00 C ATOM 1170 O THR B 9 0.372 -1.359 1.406 1.00 0.00 O ATOM 1171 CB THR B 9 1.280 -4.236 1.805 1.00 0.00 C ATOM 1172 OG1 THR B 9 2.446 -5.035 1.960 1.00 0.00 O ATOM 1173 CG2 THR B 9 0.056 -5.139 1.631 1.00 0.00 C ATOM 0 H THR B 9 2.810 -1.767 1.026 1.00 0.00 H new ATOM 0 HA THR B 9 1.344 -3.940 -0.329 1.00 0.00 H new ATOM 0 HB THR B 9 1.144 -3.616 2.691 1.00 0.00 H new ATOM 0 HG1 THR B 9 2.475 -5.398 2.870 1.00 0.00 H new ATOM 0 HG21 THR B 9 -0.054 -5.776 2.509 1.00 0.00 H new ATOM 0 HG22 THR B 9 -0.836 -4.524 1.515 1.00 0.00 H new ATOM 0 HG23 THR B 9 0.186 -5.761 0.745 1.00 0.00 H new ATOM 1181 N ALA B 10 -0.588 -2.356 -0.299 1.00 0.00 N ATOM 1182 CA ALA B 10 -1.680 -1.347 -0.348 1.00 0.00 C ATOM 1183 C ALA B 10 -2.583 -1.497 0.877 1.00 0.00 C ATOM 1184 O ALA B 10 -3.636 -2.100 0.810 1.00 0.00 O ATOM 1185 CB ALA B 10 -2.502 -1.568 -1.616 1.00 0.00 C ATOM 0 H ALA B 10 -0.649 -3.092 -1.002 1.00 0.00 H new ATOM 0 HA ALA B 10 -1.251 -0.345 -0.352 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -3.306 -0.833 -1.661 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -1.860 -1.458 -2.490 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -2.928 -2.571 -1.603 1.00 0.00 H new ATOM 1191 N CYS B 11 -2.185 -0.939 1.993 1.00 0.00 N ATOM 1192 CA CYS B 11 -3.017 -1.027 3.235 1.00 0.00 C ATOM 1193 C CYS B 11 -3.610 0.353 3.526 1.00 0.00 C ATOM 1194 O CYS B 11 -2.935 1.359 3.431 1.00 0.00 O ATOM 1195 CB CYS B 11 -2.137 -1.465 4.409 1.00 0.00 C ATOM 1196 SG CYS B 11 -1.261 -2.989 3.971 1.00 0.00 S ATOM 0 H CYS B 11 -1.312 -0.422 2.099 1.00 0.00 H new ATOM 0 HA CYS B 11 -3.817 -1.754 3.098 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.422 -0.680 4.654 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -2.750 -1.627 5.296 1.00 0.00 H new ATOM 1201 N CYS B 12 -4.868 0.416 3.868 1.00 0.00 N ATOM 1202 CA CYS B 12 -5.495 1.738 4.150 1.00 0.00 C ATOM 1203 C CYS B 12 -4.986 2.277 5.487 1.00 0.00 C ATOM 1204 O CYS B 12 -4.752 1.534 6.420 1.00 0.00 O ATOM 1205 CB CYS B 12 -7.017 1.585 4.210 1.00 0.00 C ATOM 1206 SG CYS B 12 -7.644 1.094 2.585 1.00 0.00 S ATOM 0 H CYS B 12 -5.487 -0.389 3.964 1.00 0.00 H new ATOM 0 HA CYS B 12 -5.231 2.435 3.354 1.00 0.00 H new ATOM 0 HB2 CYS B 12 -7.288 0.838 4.956 1.00 0.00 H new ATOM 0 HB3 CYS B 12 -7.475 2.525 4.519 1.00 0.00 H new ATOM 1211 N PHE B 13 -4.821 3.571 5.587 1.00 0.00 N ATOM 1212 CA PHE B 13 -4.336 4.187 6.861 1.00 0.00 C ATOM 1213 C PHE B 13 -5.522 4.838 7.573 1.00 0.00 C ATOM 1214 O PHE B 13 -5.491 5.092 8.761 1.00 0.00 O ATOM 1215 CB PHE B 13 -3.292 5.257 6.540 1.00 0.00 C ATOM 1216 CG PHE B 13 -3.943 6.369 5.756 1.00 0.00 C ATOM 1217 CD1 PHE B 13 -4.181 6.213 4.377 1.00 0.00 C ATOM 1218 CD2 PHE B 13 -4.322 7.560 6.405 1.00 0.00 C ATOM 1219 CE1 PHE B 13 -4.794 7.246 3.647 1.00 0.00 C ATOM 1220 CE2 PHE B 13 -4.936 8.595 5.676 1.00 0.00 C ATOM 1221 CZ PHE B 13 -5.173 8.438 4.295 1.00 0.00 C ATOM 0 H PHE B 13 -5.003 4.234 4.834 1.00 0.00 H new ATOM 0 HA PHE B 13 -3.890 3.424 7.498 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -2.862 5.650 7.461 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.474 4.822 5.966 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -3.892 5.299 3.880 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -4.141 7.679 7.463 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -4.974 7.126 2.589 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.225 9.509 6.174 1.00 0.00 H new ATOM 0 HZ PHE B 13 -5.645 9.231 3.734 1.00 0.00 H new ATOM 1231 N SER B 14 -6.571 5.110 6.843 1.00 0.00 N ATOM 1232 CA SER B 14 -7.772 5.746 7.451 1.00 0.00 C ATOM 1233 C SER B 14 -8.994 5.406 6.596 1.00 0.00 C ATOM 1234 O SER B 14 -9.053 4.365 5.974 1.00 0.00 O ATOM 1235 CB SER B 14 -7.582 7.262 7.494 1.00 0.00 C ATOM 1236 OG SER B 14 -7.729 7.791 6.183 1.00 0.00 O ATOM 0 H SER B 14 -6.646 4.917 5.844 1.00 0.00 H new ATOM 0 HA SER B 14 -7.915 5.376 8.466 1.00 0.00 H new ATOM 0 HB2 SER B 14 -8.313 7.713 8.165 1.00 0.00 H new ATOM 0 HB3 SER B 14 -6.595 7.505 7.888 1.00 0.00 H new ATOM 0 HG SER B 14 -6.849 7.860 5.757 1.00 0.00 H new ATOM 1242 N TYR B 15 -9.974 6.270 6.559 1.00 0.00 N ATOM 1243 CA TYR B 15 -11.189 5.980 5.742 1.00 0.00 C ATOM 1244 C TYR B 15 -11.868 7.290 5.344 1.00 0.00 C ATOM 1245 O TYR B 15 -11.604 8.334 5.905 1.00 0.00 O ATOM 1246 CB TYR B 15 -12.170 5.132 6.563 1.00 0.00 C ATOM 1247 CG TYR B 15 -11.413 4.087 7.347 1.00 0.00 C ATOM 1248 CD1 TYR B 15 -11.064 2.865 6.741 1.00 0.00 C ATOM 1249 CD2 TYR B 15 -11.057 4.336 8.687 1.00 0.00 C ATOM 1250 CE1 TYR B 15 -10.359 1.892 7.474 1.00 0.00 C ATOM 1251 CE2 TYR B 15 -10.351 3.362 9.420 1.00 0.00 C ATOM 1252 CZ TYR B 15 -10.002 2.141 8.814 1.00 0.00 C ATOM 1253 OH TYR B 15 -9.311 1.186 9.533 1.00 0.00 O ATOM 0 H TYR B 15 -9.986 7.160 7.057 1.00 0.00 H new ATOM 0 HA TYR B 15 -10.895 5.435 4.845 1.00 0.00 H new ATOM 0 HB2 TYR B 15 -12.736 5.770 7.242 1.00 0.00 H new ATOM 0 HB3 TYR B 15 -12.891 4.652 5.902 1.00 0.00 H new ATOM 0 HD1 TYR B 15 -11.337 2.674 5.714 1.00 0.00 H new ATOM 0 HD2 TYR B 15 -11.325 5.273 9.152 1.00 0.00 H new ATOM 0 HE1 TYR B 15 -10.092 0.954 7.009 1.00 0.00 H new ATOM 0 HE2 TYR B 15 -10.078 3.552 10.447 1.00 0.00 H new ATOM 0 HH TYR B 15 -9.143 1.517 10.440 1.00 0.00 H new ATOM 1263 N THR B 16 -12.752 7.237 4.385 1.00 0.00 N ATOM 1264 CA THR B 16 -13.458 8.478 3.962 1.00 0.00 C ATOM 1265 C THR B 16 -14.212 9.044 5.171 1.00 0.00 C ATOM 1266 O THR B 16 -13.898 8.734 6.303 1.00 0.00 O ATOM 1267 CB THR B 16 -14.426 8.149 2.816 1.00 0.00 C ATOM 1268 OG1 THR B 16 -15.237 9.279 2.532 1.00 0.00 O ATOM 1269 CG2 THR B 16 -15.311 6.964 3.201 1.00 0.00 C ATOM 0 H THR B 16 -13.014 6.391 3.879 1.00 0.00 H new ATOM 0 HA THR B 16 -12.747 9.222 3.604 1.00 0.00 H new ATOM 0 HB THR B 16 -13.848 7.888 1.929 1.00 0.00 H new ATOM 0 HG1 THR B 16 -15.852 9.065 1.799 1.00 0.00 H new ATOM 0 HG21 THR B 16 -15.994 6.739 2.382 1.00 0.00 H new ATOM 0 HG22 THR B 16 -14.686 6.094 3.403 1.00 0.00 H new ATOM 0 HG23 THR B 16 -15.885 7.213 4.094 1.00 0.00 H new ATOM 1277 N ALA B 17 -15.198 9.874 4.952 1.00 0.00 N ATOM 1278 CA ALA B 17 -15.958 10.459 6.099 1.00 0.00 C ATOM 1279 C ALA B 17 -17.434 10.563 5.721 1.00 0.00 C ATOM 1280 O ALA B 17 -18.229 11.148 6.430 1.00 0.00 O ATOM 1281 CB ALA B 17 -15.411 11.854 6.406 1.00 0.00 C ATOM 0 H ALA B 17 -15.511 10.173 4.028 1.00 0.00 H new ATOM 0 HA ALA B 17 -15.849 9.823 6.978 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -15.962 12.285 7.242 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -14.355 11.782 6.666 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -15.526 12.491 5.529 1.00 0.00 H new ATOM 1287 N ARG B 18 -17.807 9.995 4.605 1.00 0.00 N ATOM 1288 CA ARG B 18 -19.232 10.050 4.164 1.00 0.00 C ATOM 1289 C ARG B 18 -19.607 8.717 3.512 1.00 0.00 C ATOM 1290 O ARG B 18 -18.905 8.213 2.659 1.00 0.00 O ATOM 1291 CB ARG B 18 -19.405 11.182 3.147 1.00 0.00 C ATOM 1292 CG ARG B 18 -19.466 12.526 3.879 1.00 0.00 C ATOM 1293 CD ARG B 18 -19.278 13.660 2.873 1.00 0.00 C ATOM 1294 NE ARG B 18 -19.669 14.953 3.502 1.00 0.00 N ATOM 1295 CZ ARG B 18 -19.316 16.081 2.949 1.00 0.00 C ATOM 1296 NH1 ARG B 18 -18.619 16.077 1.846 1.00 0.00 N ATOM 1297 NH2 ARG B 18 -19.657 17.213 3.499 1.00 0.00 N ATOM 0 H ARG B 18 -17.182 9.492 3.976 1.00 0.00 H new ATOM 0 HA ARG B 18 -19.877 10.232 5.023 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -18.575 11.179 2.440 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -20.317 11.029 2.569 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -20.424 12.632 4.389 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -18.691 12.572 4.644 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -18.239 13.702 2.546 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -19.884 13.477 1.986 1.00 0.00 H new ATOM 0 HE ARG B 18 -20.213 14.956 4.365 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -18.350 15.192 1.416 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -18.343 16.959 1.414 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -20.200 17.217 4.362 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -19.381 18.094 3.066 1.00 0.00 H new ATOM 1311 N LYS B 19 -20.713 8.146 3.901 1.00 0.00 N ATOM 1312 CA LYS B 19 -21.134 6.853 3.294 1.00 0.00 C ATOM 1313 C LYS B 19 -21.368 7.078 1.798 1.00 0.00 C ATOM 1314 O LYS B 19 -22.064 7.989 1.397 1.00 0.00 O ATOM 1315 CB LYS B 19 -22.425 6.373 3.984 1.00 0.00 C ATOM 1316 CG LYS B 19 -23.005 5.124 3.292 1.00 0.00 C ATOM 1317 CD LYS B 19 -24.461 4.915 3.727 1.00 0.00 C ATOM 1318 CE LYS B 19 -24.576 4.970 5.255 1.00 0.00 C ATOM 1319 NZ LYS B 19 -24.631 6.393 5.699 1.00 0.00 N ATOM 0 H LYS B 19 -21.343 8.518 4.612 1.00 0.00 H new ATOM 0 HA LYS B 19 -20.366 6.090 3.426 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -22.217 6.147 5.030 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -23.165 7.174 3.972 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -22.953 5.240 2.209 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -22.410 4.247 3.548 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -25.094 5.682 3.281 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -24.821 3.953 3.363 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -25.471 4.441 5.582 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -23.724 4.468 5.713 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -23.706 6.673 6.083 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -24.867 7.001 4.889 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -25.358 6.499 6.435 1.00 0.00 H new ATOM 1333 N LEU B 20 -20.790 6.251 0.969 1.00 0.00 N ATOM 1334 CA LEU B 20 -20.978 6.417 -0.498 1.00 0.00 C ATOM 1335 C LEU B 20 -22.404 5.961 -0.886 1.00 0.00 C ATOM 1336 O LEU B 20 -22.757 4.835 -0.598 1.00 0.00 O ATOM 1337 CB LEU B 20 -19.974 5.527 -1.238 1.00 0.00 C ATOM 1338 CG LEU B 20 -18.575 5.689 -0.642 1.00 0.00 C ATOM 1339 CD1 LEU B 20 -17.570 4.951 -1.526 1.00 0.00 C ATOM 1340 CD2 LEU B 20 -18.201 7.174 -0.579 1.00 0.00 C ATOM 0 H LEU B 20 -20.197 5.469 1.245 1.00 0.00 H new ATOM 0 HA LEU B 20 -20.829 7.463 -0.765 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -20.285 4.485 -1.172 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -19.958 5.789 -2.296 1.00 0.00 H new ATOM 0 HG LEU B 20 -18.561 5.275 0.366 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -16.569 5.061 -1.109 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -17.831 3.894 -1.569 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -17.592 5.371 -2.531 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -17.203 7.280 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -18.213 7.595 -1.584 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -18.920 7.704 0.045 1.00 0.00 H new ATOM 1352 N PRO B 21 -23.192 6.802 -1.539 1.00 0.00 N ATOM 1353 CA PRO B 21 -24.549 6.388 -1.943 1.00 0.00 C ATOM 1354 C PRO B 21 -24.463 5.112 -2.783 1.00 0.00 C ATOM 1355 O PRO B 21 -23.545 4.934 -3.556 1.00 0.00 O ATOM 1356 CB PRO B 21 -25.095 7.565 -2.783 1.00 0.00 C ATOM 1357 CG PRO B 21 -24.077 8.734 -2.656 1.00 0.00 C ATOM 1358 CD PRO B 21 -22.834 8.188 -1.921 1.00 0.00 C ATOM 0 HA PRO B 21 -25.196 6.172 -1.093 1.00 0.00 H new ATOM 0 HB2 PRO B 21 -25.214 7.270 -3.826 1.00 0.00 H new ATOM 0 HB3 PRO B 21 -26.078 7.870 -2.424 1.00 0.00 H new ATOM 0 HG2 PRO B 21 -23.804 9.114 -3.641 1.00 0.00 H new ATOM 0 HG3 PRO B 21 -24.515 9.566 -2.104 1.00 0.00 H new ATOM 0 HD2 PRO B 21 -21.955 8.205 -2.566 1.00 0.00 H new ATOM 0 HD3 PRO B 21 -22.598 8.791 -1.044 1.00 0.00 H new ATOM 1366 N ARG B 22 -25.416 4.233 -2.657 1.00 0.00 N ATOM 1367 CA ARG B 22 -25.381 2.992 -3.477 1.00 0.00 C ATOM 1368 C ARG B 22 -25.160 3.385 -4.939 1.00 0.00 C ATOM 1369 O ARG B 22 -24.510 2.689 -5.694 1.00 0.00 O ATOM 1370 CB ARG B 22 -26.709 2.243 -3.339 1.00 0.00 C ATOM 1371 CG ARG B 22 -26.631 0.920 -4.104 1.00 0.00 C ATOM 1372 CD ARG B 22 -27.840 0.052 -3.746 1.00 0.00 C ATOM 1373 NE ARG B 22 -27.799 -1.206 -4.544 1.00 0.00 N ATOM 1374 CZ ARG B 22 -28.547 -2.219 -4.203 1.00 0.00 C ATOM 1375 NH1 ARG B 22 -29.331 -2.131 -3.164 1.00 0.00 N ATOM 1376 NH2 ARG B 22 -28.509 -3.322 -4.901 1.00 0.00 N ATOM 0 H ARG B 22 -26.213 4.319 -2.026 1.00 0.00 H new ATOM 0 HA ARG B 22 -24.575 2.342 -3.137 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -26.925 2.055 -2.287 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -27.525 2.853 -3.728 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -26.610 1.109 -5.177 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -25.708 0.397 -3.855 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -27.833 -0.179 -2.681 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -28.764 0.594 -3.948 1.00 0.00 H new ATOM 0 HE ARG B 22 -27.186 -1.275 -5.357 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -29.359 -1.270 -2.618 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -29.916 -2.923 -2.898 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -27.895 -3.391 -5.712 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -29.094 -4.114 -4.635 1.00 0.00 H new ATOM 1390 N ASN B 23 -25.699 4.508 -5.336 1.00 0.00 N ATOM 1391 CA ASN B 23 -25.525 4.971 -6.742 1.00 0.00 C ATOM 1392 C ASN B 23 -24.096 5.483 -6.944 1.00 0.00 C ATOM 1393 O ASN B 23 -23.811 6.188 -7.891 1.00 0.00 O ATOM 1394 CB ASN B 23 -26.516 6.099 -7.032 1.00 0.00 C ATOM 1395 CG ASN B 23 -27.945 5.590 -6.832 1.00 0.00 C ATOM 1396 OD1 ASN B 23 -28.713 5.517 -7.771 1.00 0.00 O ATOM 1397 ND2 ASN B 23 -28.337 5.231 -5.640 1.00 0.00 N ATOM 0 H ASN B 23 -26.254 5.126 -4.744 1.00 0.00 H new ATOM 0 HA ASN B 23 -25.709 4.139 -7.422 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -26.324 6.944 -6.371 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -26.386 6.457 -8.053 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -29.287 4.889 -5.497 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -27.693 5.292 -4.851 1.00 0.00 H new ATOM 1404 N PHE B 24 -23.197 5.141 -6.056 1.00 0.00 N ATOM 1405 CA PHE B 24 -21.782 5.617 -6.186 1.00 0.00 C ATOM 1406 C PHE B 24 -20.836 4.474 -5.804 1.00 0.00 C ATOM 1407 O PHE B 24 -19.735 4.693 -5.338 1.00 0.00 O ATOM 1408 CB PHE B 24 -21.573 6.816 -5.243 1.00 0.00 C ATOM 1409 CG PHE B 24 -20.394 7.658 -5.695 1.00 0.00 C ATOM 1410 CD1 PHE B 24 -20.408 8.270 -6.966 1.00 0.00 C ATOM 1411 CD2 PHE B 24 -19.286 7.842 -4.842 1.00 0.00 C ATOM 1412 CE1 PHE B 24 -19.320 9.060 -7.380 1.00 0.00 C ATOM 1413 CE2 PHE B 24 -18.198 8.631 -5.259 1.00 0.00 C ATOM 1414 CZ PHE B 24 -18.214 9.241 -6.528 1.00 0.00 C ATOM 0 H PHE B 24 -23.380 4.551 -5.244 1.00 0.00 H new ATOM 0 HA PHE B 24 -21.576 5.925 -7.211 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -22.475 7.428 -5.220 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -21.403 6.460 -4.227 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -21.255 8.132 -7.622 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -19.273 7.377 -3.867 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -19.333 9.528 -8.353 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -17.350 8.769 -4.605 1.00 0.00 H new ATOM 0 HZ PHE B 24 -17.379 9.847 -6.847 1.00 0.00 H new ATOM 1424 N VAL B 25 -21.262 3.254 -6.006 1.00 0.00 N ATOM 1425 CA VAL B 25 -20.406 2.080 -5.667 1.00 0.00 C ATOM 1426 C VAL B 25 -20.739 0.934 -6.625 1.00 0.00 C ATOM 1427 O VAL B 25 -21.590 0.111 -6.352 1.00 0.00 O ATOM 1428 CB VAL B 25 -20.687 1.634 -4.230 1.00 0.00 C ATOM 1429 CG1 VAL B 25 -19.735 0.501 -3.846 1.00 0.00 C ATOM 1430 CG2 VAL B 25 -20.476 2.810 -3.275 1.00 0.00 C ATOM 0 H VAL B 25 -22.175 3.020 -6.395 1.00 0.00 H new ATOM 0 HA VAL B 25 -19.355 2.353 -5.759 1.00 0.00 H new ATOM 0 HB VAL B 25 -21.718 1.286 -4.161 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -19.938 0.186 -2.822 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -19.882 -0.342 -4.521 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -18.705 0.850 -3.921 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -20.677 2.489 -2.253 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -19.446 3.159 -3.350 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -21.154 3.621 -3.541 1.00 0.00 H new ATOM 1440 N VAL B 26 -20.081 0.879 -7.753 1.00 0.00 N ATOM 1441 CA VAL B 26 -20.366 -0.204 -8.734 1.00 0.00 C ATOM 1442 C VAL B 26 -19.576 -1.458 -8.364 1.00 0.00 C ATOM 1443 O VAL B 26 -19.810 -2.526 -8.895 1.00 0.00 O ATOM 1444 CB VAL B 26 -19.951 0.262 -10.127 1.00 0.00 C ATOM 1445 CG1 VAL B 26 -20.940 1.315 -10.628 1.00 0.00 C ATOM 1446 CG2 VAL B 26 -18.548 0.871 -10.064 1.00 0.00 C ATOM 0 H VAL B 26 -19.357 1.540 -8.036 1.00 0.00 H new ATOM 0 HA VAL B 26 -21.431 -0.434 -8.722 1.00 0.00 H new ATOM 0 HB VAL B 26 -19.949 -0.589 -10.809 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -20.644 1.648 -11.623 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -21.940 0.883 -10.673 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -20.942 2.166 -9.946 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -18.251 1.204 -11.058 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -18.551 1.722 -9.382 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -17.842 0.122 -9.706 1.00 0.00 H new ATOM 1456 N ASP B 27 -18.642 -1.344 -7.464 1.00 0.00 N ATOM 1457 CA ASP B 27 -17.847 -2.541 -7.078 1.00 0.00 C ATOM 1458 C ASP B 27 -17.000 -2.213 -5.853 1.00 0.00 C ATOM 1459 O ASP B 27 -17.138 -1.167 -5.253 1.00 0.00 O ATOM 1460 CB ASP B 27 -16.931 -2.937 -8.240 1.00 0.00 C ATOM 1461 CG ASP B 27 -16.349 -4.330 -7.985 1.00 0.00 C ATOM 1462 OD1 ASP B 27 -16.892 -5.035 -7.151 1.00 0.00 O ATOM 1463 OD2 ASP B 27 -15.369 -4.667 -8.630 1.00 0.00 O ATOM 0 H ASP B 27 -18.395 -0.480 -6.981 1.00 0.00 H new ATOM 0 HA ASP B 27 -18.519 -3.367 -6.845 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -17.491 -2.932 -9.175 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -16.126 -2.210 -8.346 1.00 0.00 H new ATOM 1468 N TYR B 28 -16.118 -3.098 -5.477 1.00 0.00 N ATOM 1469 CA TYR B 28 -15.261 -2.828 -4.292 1.00 0.00 C ATOM 1470 C TYR B 28 -13.975 -3.642 -4.383 1.00 0.00 C ATOM 1471 O TYR B 28 -13.718 -4.324 -5.355 1.00 0.00 O ATOM 1472 CB TYR B 28 -16.014 -3.180 -3.004 1.00 0.00 C ATOM 1473 CG TYR B 28 -16.136 -4.684 -2.848 1.00 0.00 C ATOM 1474 CD1 TYR B 28 -16.887 -5.434 -3.774 1.00 0.00 C ATOM 1475 CD2 TYR B 28 -15.508 -5.333 -1.766 1.00 0.00 C ATOM 1476 CE1 TYR B 28 -17.007 -6.828 -3.619 1.00 0.00 C ATOM 1477 CE2 TYR B 28 -15.628 -6.724 -1.609 1.00 0.00 C ATOM 1478 CZ TYR B 28 -16.378 -7.474 -2.536 1.00 0.00 C ATOM 1479 OH TYR B 28 -16.498 -8.841 -2.383 1.00 0.00 O ATOM 0 H TYR B 28 -15.955 -3.993 -5.938 1.00 0.00 H new ATOM 0 HA TYR B 28 -15.010 -1.768 -4.274 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -15.490 -2.762 -2.145 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -17.006 -2.730 -3.022 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -17.371 -4.939 -4.603 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -14.932 -4.759 -1.055 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -17.581 -7.403 -4.330 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -15.146 -7.218 -0.778 1.00 0.00 H new ATOM 0 HH TYR B 28 -17.441 -9.097 -2.458 1.00 0.00 H new ATOM 1489 N TYR B 29 -13.163 -3.554 -3.376 1.00 0.00 N ATOM 1490 CA TYR B 29 -11.877 -4.292 -3.375 1.00 0.00 C ATOM 1491 C TYR B 29 -11.379 -4.388 -1.928 1.00 0.00 C ATOM 1492 O TYR B 29 -11.385 -3.418 -1.203 1.00 0.00 O ATOM 1493 CB TYR B 29 -10.880 -3.516 -4.255 1.00 0.00 C ATOM 1494 CG TYR B 29 -9.458 -3.906 -3.927 1.00 0.00 C ATOM 1495 CD1 TYR B 29 -8.983 -5.181 -4.280 1.00 0.00 C ATOM 1496 CD2 TYR B 29 -8.611 -2.993 -3.269 1.00 0.00 C ATOM 1497 CE1 TYR B 29 -7.657 -5.547 -3.973 1.00 0.00 C ATOM 1498 CE2 TYR B 29 -7.286 -3.357 -2.963 1.00 0.00 C ATOM 1499 CZ TYR B 29 -6.809 -4.635 -3.315 1.00 0.00 C ATOM 1500 OH TYR B 29 -5.511 -4.994 -3.015 1.00 0.00 O ATOM 0 H TYR B 29 -13.337 -2.994 -2.541 1.00 0.00 H new ATOM 0 HA TYR B 29 -11.990 -5.300 -3.774 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -11.084 -3.717 -5.307 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -11.012 -2.445 -4.104 1.00 0.00 H new ATOM 0 HD1 TYR B 29 -9.633 -5.879 -4.786 1.00 0.00 H new ATOM 0 HD2 TYR B 29 -8.978 -2.014 -2.999 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -7.291 -6.527 -4.242 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -6.636 -2.657 -2.459 1.00 0.00 H new ATOM 0 HH TYR B 29 -5.062 -4.250 -2.562 1.00 0.00 H new ATOM 1510 N GLU B 30 -10.953 -5.541 -1.494 1.00 0.00 N ATOM 1511 CA GLU B 30 -10.462 -5.669 -0.087 1.00 0.00 C ATOM 1512 C GLU B 30 -8.953 -5.407 -0.050 1.00 0.00 C ATOM 1513 O GLU B 30 -8.260 -5.559 -1.036 1.00 0.00 O ATOM 1514 CB GLU B 30 -10.754 -7.079 0.431 1.00 0.00 C ATOM 1515 CG GLU B 30 -12.239 -7.200 0.787 1.00 0.00 C ATOM 1516 CD GLU B 30 -12.513 -8.590 1.365 1.00 0.00 C ATOM 1517 OE1 GLU B 30 -12.256 -8.781 2.542 1.00 0.00 O ATOM 1518 OE2 GLU B 30 -12.975 -9.438 0.621 1.00 0.00 O ATOM 0 H GLU B 30 -10.922 -6.398 -2.046 1.00 0.00 H new ATOM 0 HA GLU B 30 -10.972 -4.942 0.545 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -10.490 -7.817 -0.326 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -10.141 -7.289 1.308 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -12.514 -6.433 1.511 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -12.851 -7.036 -0.100 1.00 0.00 H new ATOM 1525 N THR B 31 -8.445 -5.003 1.082 1.00 0.00 N ATOM 1526 CA THR B 31 -6.982 -4.716 1.195 1.00 0.00 C ATOM 1527 C THR B 31 -6.184 -6.019 1.181 1.00 0.00 C ATOM 1528 O THR B 31 -6.691 -7.074 0.854 1.00 0.00 O ATOM 1529 CB THR B 31 -6.720 -3.988 2.513 1.00 0.00 C ATOM 1530 OG1 THR B 31 -7.404 -4.667 3.551 1.00 0.00 O ATOM 1531 CG2 THR B 31 -7.221 -2.547 2.409 1.00 0.00 C ATOM 0 H THR B 31 -8.980 -4.858 1.938 1.00 0.00 H new ATOM 0 HA THR B 31 -6.673 -4.099 0.351 1.00 0.00 H new ATOM 0 HB THR B 31 -5.652 -3.973 2.728 1.00 0.00 H new ATOM 0 HG1 THR B 31 -7.495 -5.614 3.318 1.00 0.00 H new ATOM 0 HG21 THR B 31 -7.034 -2.028 3.349 1.00 0.00 H new ATOM 0 HG22 THR B 31 -6.696 -2.036 1.602 1.00 0.00 H new ATOM 0 HG23 THR B 31 -8.291 -2.548 2.202 1.00 0.00 H new ATOM 1539 N SER B 32 -4.930 -5.945 1.542 1.00 0.00 N ATOM 1540 CA SER B 32 -4.076 -7.163 1.564 1.00 0.00 C ATOM 1541 C SER B 32 -4.274 -7.899 2.889 1.00 0.00 C ATOM 1542 O SER B 32 -5.358 -7.942 3.436 1.00 0.00 O ATOM 1543 CB SER B 32 -2.609 -6.754 1.431 1.00 0.00 C ATOM 1544 OG SER B 32 -1.812 -7.915 1.240 1.00 0.00 O ATOM 0 H SER B 32 -4.460 -5.085 1.824 1.00 0.00 H new ATOM 0 HA SER B 32 -4.353 -7.817 0.737 1.00 0.00 H new ATOM 0 HB2 SER B 32 -2.485 -6.072 0.590 1.00 0.00 H new ATOM 0 HB3 SER B 32 -2.286 -6.220 2.325 1.00 0.00 H new ATOM 0 HG SER B 32 -0.901 -7.650 0.995 1.00 0.00 H new ATOM 1550 N SER B 33 -3.227 -8.478 3.404 1.00 0.00 N ATOM 1551 CA SER B 33 -3.324 -9.221 4.697 1.00 0.00 C ATOM 1552 C SER B 33 -2.051 -8.979 5.501 1.00 0.00 C ATOM 1553 O SER B 33 -2.074 -8.876 6.712 1.00 0.00 O ATOM 1554 CB SER B 33 -3.451 -10.712 4.406 1.00 0.00 C ATOM 1555 OG SER B 33 -2.160 -11.249 4.144 1.00 0.00 O ATOM 0 H SER B 33 -2.298 -8.470 2.983 1.00 0.00 H new ATOM 0 HA SER B 33 -4.192 -8.878 5.260 1.00 0.00 H new ATOM 0 HB2 SER B 33 -3.905 -11.223 5.255 1.00 0.00 H new ATOM 0 HB3 SER B 33 -4.106 -10.873 3.550 1.00 0.00 H new ATOM 0 HG SER B 33 -2.236 -12.208 3.958 1.00 0.00 H new ATOM 1561 N LEU B 34 -0.942 -8.898 4.819 1.00 0.00 N ATOM 1562 CA LEU B 34 0.369 -8.669 5.499 1.00 0.00 C ATOM 1563 C LEU B 34 0.209 -7.659 6.637 1.00 0.00 C ATOM 1564 O LEU B 34 0.528 -7.934 7.777 1.00 0.00 O ATOM 1565 CB LEU B 34 1.377 -8.119 4.485 1.00 0.00 C ATOM 1566 CG LEU B 34 1.249 -8.863 3.155 1.00 0.00 C ATOM 1567 CD1 LEU B 34 2.383 -8.434 2.222 1.00 0.00 C ATOM 1568 CD2 LEU B 34 1.328 -10.373 3.401 1.00 0.00 C ATOM 0 H LEU B 34 -0.886 -8.982 3.804 1.00 0.00 H new ATOM 0 HA LEU B 34 0.723 -9.616 5.907 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.205 -7.054 4.332 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.390 -8.226 4.874 1.00 0.00 H new ATOM 0 HG LEU B 34 0.290 -8.624 2.695 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.294 -8.963 1.273 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.322 -7.360 2.046 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.342 -8.673 2.682 1.00 0.00 H new ATOM 0 HD21 LEU B 34 1.237 -10.902 2.452 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.285 -10.617 3.862 1.00 0.00 H new ATOM 0 HD23 LEU B 34 0.518 -10.676 4.065 1.00 0.00 H new ATOM 1580 N CYS B 35 -0.277 -6.492 6.331 1.00 0.00 N ATOM 1581 CA CYS B 35 -0.453 -5.460 7.390 1.00 0.00 C ATOM 1582 C CYS B 35 -1.593 -5.880 8.324 1.00 0.00 C ATOM 1583 O CYS B 35 -2.671 -6.224 7.892 1.00 0.00 O ATOM 1584 CB CYS B 35 -0.769 -4.107 6.740 1.00 0.00 C ATOM 1585 SG CYS B 35 -1.887 -4.344 5.336 1.00 0.00 S ATOM 0 H CYS B 35 -0.561 -6.206 5.394 1.00 0.00 H new ATOM 0 HA CYS B 35 0.465 -5.366 7.970 1.00 0.00 H new ATOM 0 HB2 CYS B 35 -1.226 -3.440 7.471 1.00 0.00 H new ATOM 0 HB3 CYS B 35 0.152 -3.630 6.406 1.00 0.00 H new ATOM 1590 N SER B 36 -1.347 -5.877 9.604 1.00 0.00 N ATOM 1591 CA SER B 36 -2.397 -6.286 10.582 1.00 0.00 C ATOM 1592 C SER B 36 -3.566 -5.287 10.595 1.00 0.00 C ATOM 1593 O SER B 36 -4.185 -5.081 11.620 1.00 0.00 O ATOM 1594 CB SER B 36 -1.782 -6.356 11.979 1.00 0.00 C ATOM 1595 OG SER B 36 -2.806 -6.614 12.931 1.00 0.00 O ATOM 0 H SER B 36 -0.456 -5.606 10.020 1.00 0.00 H new ATOM 0 HA SER B 36 -2.782 -7.262 10.285 1.00 0.00 H new ATOM 0 HB2 SER B 36 -1.027 -7.142 12.018 1.00 0.00 H new ATOM 0 HB3 SER B 36 -1.278 -5.418 12.215 1.00 0.00 H new ATOM 0 HG SER B 36 -3.472 -5.896 12.898 1.00 0.00 H new ATOM 1601 N GLN B 37 -3.885 -4.658 9.490 1.00 0.00 N ATOM 1602 CA GLN B 37 -5.023 -3.683 9.507 1.00 0.00 C ATOM 1603 C GLN B 37 -5.661 -3.558 8.116 1.00 0.00 C ATOM 1604 O GLN B 37 -5.601 -2.504 7.514 1.00 0.00 O ATOM 1605 CB GLN B 37 -4.502 -2.312 9.950 1.00 0.00 C ATOM 1606 CG GLN B 37 -3.206 -1.987 9.201 1.00 0.00 C ATOM 1607 CD GLN B 37 -2.718 -0.594 9.607 1.00 0.00 C ATOM 1608 OE1 GLN B 37 -2.205 0.144 8.791 1.00 0.00 O ATOM 1609 NE2 GLN B 37 -2.857 -0.204 10.845 1.00 0.00 N ATOM 0 H GLN B 37 -3.417 -4.773 8.591 1.00 0.00 H new ATOM 0 HA GLN B 37 -5.781 -4.044 10.203 1.00 0.00 H new ATOM 0 HB2 GLN B 37 -5.251 -1.546 9.751 1.00 0.00 H new ATOM 0 HB3 GLN B 37 -4.323 -2.310 11.025 1.00 0.00 H new ATOM 0 HG2 GLN B 37 -2.444 -2.732 9.430 1.00 0.00 H new ATOM 0 HG3 GLN B 37 -3.376 -2.025 8.125 1.00 0.00 H new ATOM 0 HE21 GLN B 37 -3.288 -0.825 11.530 1.00 0.00 H new ATOM 0 HE22 GLN B 37 -2.534 0.722 11.127 1.00 0.00 H new ATOM 1618 N PRO B 38 -6.274 -4.622 7.645 1.00 0.00 N ATOM 1619 CA PRO B 38 -6.944 -4.608 6.330 1.00 0.00 C ATOM 1620 C PRO B 38 -8.204 -3.732 6.415 1.00 0.00 C ATOM 1621 O PRO B 38 -8.552 -3.222 7.461 1.00 0.00 O ATOM 1622 CB PRO B 38 -7.312 -6.086 6.062 1.00 0.00 C ATOM 1623 CG PRO B 38 -7.052 -6.874 7.379 1.00 0.00 C ATOM 1624 CD PRO B 38 -6.346 -5.914 8.364 1.00 0.00 C ATOM 0 HA PRO B 38 -6.322 -4.201 5.533 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.356 -6.174 5.762 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -6.711 -6.490 5.247 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -7.990 -7.235 7.801 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -6.432 -7.749 7.186 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -6.906 -5.819 9.294 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -5.352 -6.277 8.626 1.00 0.00 H new ATOM 1632 N ALA B 39 -8.884 -3.569 5.320 1.00 0.00 N ATOM 1633 CA ALA B 39 -10.121 -2.749 5.307 1.00 0.00 C ATOM 1634 C ALA B 39 -10.840 -3.005 3.986 1.00 0.00 C ATOM 1635 O ALA B 39 -10.285 -3.601 3.084 1.00 0.00 O ATOM 1636 CB ALA B 39 -9.758 -1.268 5.414 1.00 0.00 C ATOM 0 H ALA B 39 -8.631 -3.976 4.419 1.00 0.00 H new ATOM 0 HA ALA B 39 -10.762 -3.015 6.148 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -10.668 -0.669 5.404 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -9.218 -1.092 6.344 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -9.129 -0.986 4.570 1.00 0.00 H new ATOM 1642 N VAL B 40 -12.056 -2.553 3.849 1.00 0.00 N ATOM 1643 CA VAL B 40 -12.788 -2.766 2.564 1.00 0.00 C ATOM 1644 C VAL B 40 -12.660 -1.497 1.730 1.00 0.00 C ATOM 1645 O VAL B 40 -12.815 -0.397 2.226 1.00 0.00 O ATOM 1646 CB VAL B 40 -14.266 -3.062 2.847 1.00 0.00 C ATOM 1647 CG1 VAL B 40 -15.086 -2.898 1.562 1.00 0.00 C ATOM 1648 CG2 VAL B 40 -14.399 -4.500 3.341 1.00 0.00 C ATOM 0 H VAL B 40 -12.575 -2.047 4.567 1.00 0.00 H new ATOM 0 HA VAL B 40 -12.365 -3.614 2.025 1.00 0.00 H new ATOM 0 HB VAL B 40 -14.635 -2.368 3.602 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -16.135 -3.110 1.770 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -14.988 -1.876 1.196 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -14.719 -3.591 0.805 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -15.447 -4.719 3.545 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -14.027 -5.183 2.577 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -13.818 -4.626 4.254 1.00 0.00 H new ATOM 1658 N VAL B 41 -12.370 -1.649 0.467 1.00 0.00 N ATOM 1659 CA VAL B 41 -12.213 -0.463 -0.432 1.00 0.00 C ATOM 1660 C VAL B 41 -13.372 -0.418 -1.431 1.00 0.00 C ATOM 1661 O VAL B 41 -13.578 -1.335 -2.194 1.00 0.00 O ATOM 1662 CB VAL B 41 -10.882 -0.574 -1.181 1.00 0.00 C ATOM 1663 CG1 VAL B 41 -10.488 0.792 -1.738 1.00 0.00 C ATOM 1664 CG2 VAL B 41 -9.795 -1.052 -0.215 1.00 0.00 C ATOM 0 H VAL B 41 -12.233 -2.552 0.012 1.00 0.00 H new ATOM 0 HA VAL B 41 -12.221 0.452 0.160 1.00 0.00 H new ATOM 0 HB VAL B 41 -10.989 -1.285 -2.001 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -9.540 0.708 -2.270 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -11.260 1.142 -2.424 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -10.382 1.502 -0.918 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -8.846 -1.132 -0.746 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -9.695 -0.338 0.602 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -10.069 -2.027 0.187 1.00 0.00 H new ATOM 1674 N PHE B 42 -14.140 0.640 -1.431 1.00 0.00 N ATOM 1675 CA PHE B 42 -15.293 0.724 -2.380 1.00 0.00 C ATOM 1676 C PHE B 42 -14.860 1.405 -3.682 1.00 0.00 C ATOM 1677 O PHE B 42 -14.181 2.413 -3.678 1.00 0.00 O ATOM 1678 CB PHE B 42 -16.425 1.542 -1.743 1.00 0.00 C ATOM 1679 CG PHE B 42 -17.164 0.699 -0.726 1.00 0.00 C ATOM 1680 CD1 PHE B 42 -17.876 -0.444 -1.143 1.00 0.00 C ATOM 1681 CD2 PHE B 42 -17.147 1.058 0.636 1.00 0.00 C ATOM 1682 CE1 PHE B 42 -18.570 -1.225 -0.199 1.00 0.00 C ATOM 1683 CE2 PHE B 42 -17.841 0.277 1.578 1.00 0.00 C ATOM 1684 CZ PHE B 42 -18.552 -0.864 1.161 1.00 0.00 C ATOM 0 H PHE B 42 -14.021 1.447 -0.818 1.00 0.00 H new ATOM 0 HA PHE B 42 -15.640 -0.286 -2.599 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -16.016 2.431 -1.263 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -17.115 1.885 -2.514 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -17.889 -0.721 -2.187 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -16.601 1.933 0.957 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -19.116 -2.100 -0.519 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -17.828 0.553 2.622 1.00 0.00 H new ATOM 0 HZ PHE B 42 -19.084 -1.463 1.885 1.00 0.00 H new ATOM 1694 N GLN B 43 -15.281 0.868 -4.798 1.00 0.00 N ATOM 1695 CA GLN B 43 -14.941 1.475 -6.119 1.00 0.00 C ATOM 1696 C GLN B 43 -16.147 2.305 -6.567 1.00 0.00 C ATOM 1697 O GLN B 43 -17.248 1.790 -6.666 1.00 0.00 O ATOM 1698 CB GLN B 43 -14.667 0.353 -7.123 1.00 0.00 C ATOM 1699 CG GLN B 43 -13.426 -0.430 -6.688 1.00 0.00 C ATOM 1700 CD GLN B 43 -13.359 -1.749 -7.460 1.00 0.00 C ATOM 1701 OE1 GLN B 43 -12.917 -2.752 -6.935 1.00 0.00 O ATOM 1702 NE2 GLN B 43 -13.779 -1.791 -8.694 1.00 0.00 N ATOM 0 H GLN B 43 -15.853 0.025 -4.850 1.00 0.00 H new ATOM 0 HA GLN B 43 -14.056 2.107 -6.051 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -15.528 -0.313 -7.184 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -14.516 0.770 -8.119 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -12.528 0.159 -6.874 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -13.463 -0.625 -5.616 1.00 0.00 H new ATOM 0 HE21 GLN B 43 -14.150 -0.950 -9.135 1.00 0.00 H new ATOM 0 HE22 GLN B 43 -13.736 -2.665 -9.218 1.00 0.00 H new ATOM 1711 N THR B 44 -15.976 3.591 -6.798 1.00 0.00 N ATOM 1712 CA THR B 44 -17.161 4.438 -7.184 1.00 0.00 C ATOM 1713 C THR B 44 -17.243 4.640 -8.696 1.00 0.00 C ATOM 1714 O THR B 44 -16.634 3.933 -9.474 1.00 0.00 O ATOM 1715 CB THR B 44 -17.043 5.808 -6.520 1.00 0.00 C ATOM 1716 OG1 THR B 44 -16.179 6.625 -7.292 1.00 0.00 O ATOM 1717 CG2 THR B 44 -16.474 5.645 -5.110 1.00 0.00 C ATOM 0 H THR B 44 -15.085 4.084 -6.738 1.00 0.00 H new ATOM 0 HA THR B 44 -18.060 3.919 -6.852 1.00 0.00 H new ATOM 0 HB THR B 44 -18.027 6.273 -6.458 1.00 0.00 H new ATOM 0 HG1 THR B 44 -16.443 7.564 -7.195 1.00 0.00 H new ATOM 0 HG21 THR B 44 -16.390 6.623 -4.636 1.00 0.00 H new ATOM 0 HG22 THR B 44 -17.138 5.012 -4.521 1.00 0.00 H new ATOM 0 HG23 THR B 44 -15.488 5.183 -5.167 1.00 0.00 H new ATOM 1725 N LYS B 45 -18.018 5.618 -9.106 1.00 0.00 N ATOM 1726 CA LYS B 45 -18.192 5.914 -10.560 1.00 0.00 C ATOM 1727 C LYS B 45 -17.437 7.199 -10.917 1.00 0.00 C ATOM 1728 O LYS B 45 -17.176 7.468 -12.073 1.00 0.00 O ATOM 1729 CB LYS B 45 -19.684 6.124 -10.863 1.00 0.00 C ATOM 1730 CG LYS B 45 -20.524 5.040 -10.183 1.00 0.00 C ATOM 1731 CD LYS B 45 -22.008 5.327 -10.433 1.00 0.00 C ATOM 1732 CE LYS B 45 -22.859 4.148 -9.952 1.00 0.00 C ATOM 1733 NZ LYS B 45 -24.263 4.603 -9.747 1.00 0.00 N ATOM 0 H LYS B 45 -18.544 6.231 -8.483 1.00 0.00 H new ATOM 0 HA LYS B 45 -17.803 5.079 -11.143 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -19.997 7.108 -10.514 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -19.850 6.100 -11.940 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -20.259 4.058 -10.575 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -20.319 5.022 -9.113 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -22.304 6.237 -9.910 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -22.179 5.500 -11.495 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -22.830 3.341 -10.684 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -22.455 3.749 -9.022 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -24.775 3.902 -9.175 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -24.263 5.519 -9.254 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -24.733 4.707 -10.669 1.00 0.00 H new ATOM 1747 N ARG B 46 -17.095 8.004 -9.937 1.00 0.00 N ATOM 1748 CA ARG B 46 -16.369 9.284 -10.221 1.00 0.00 C ATOM 1749 C ARG B 46 -15.210 9.425 -9.229 1.00 0.00 C ATOM 1750 O ARG B 46 -15.075 10.410 -8.536 1.00 0.00 O ATOM 1751 CB ARG B 46 -17.350 10.465 -10.069 1.00 0.00 C ATOM 1752 CG ARG B 46 -16.871 11.696 -10.867 1.00 0.00 C ATOM 1753 CD ARG B 46 -15.719 12.410 -10.149 1.00 0.00 C ATOM 1754 NE ARG B 46 -15.572 13.784 -10.706 1.00 0.00 N ATOM 1755 CZ ARG B 46 -14.871 14.677 -10.063 1.00 0.00 C ATOM 1756 NH1 ARG B 46 -14.294 14.364 -8.935 1.00 0.00 N ATOM 1757 NH2 ARG B 46 -14.746 15.882 -10.548 1.00 0.00 N ATOM 0 H ARG B 46 -17.288 7.829 -8.951 1.00 0.00 H new ATOM 0 HA ARG B 46 -15.974 9.280 -11.237 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -18.339 10.166 -10.416 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -17.447 10.727 -9.015 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -16.547 11.385 -11.860 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -17.701 12.388 -11.005 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -15.916 12.458 -9.078 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -14.792 11.851 -10.278 1.00 0.00 H new ATOM 0 HE ARG B 46 -16.019 14.027 -11.590 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -14.391 13.422 -8.557 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -13.746 15.062 -8.432 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -15.196 16.126 -11.430 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -14.198 16.580 -10.045 1.00 0.00 H new ATOM 1771 N SER B 47 -14.367 8.436 -9.162 1.00 0.00 N ATOM 1772 CA SER B 47 -13.209 8.496 -8.244 1.00 0.00 C ATOM 1773 C SER B 47 -12.291 7.326 -8.574 1.00 0.00 C ATOM 1774 O SER B 47 -11.829 7.180 -9.687 1.00 0.00 O ATOM 1775 CB SER B 47 -13.675 8.422 -6.782 1.00 0.00 C ATOM 1776 OG SER B 47 -14.084 7.098 -6.475 1.00 0.00 O ATOM 0 H SER B 47 -14.435 7.580 -9.713 1.00 0.00 H new ATOM 0 HA SER B 47 -12.677 9.439 -8.370 1.00 0.00 H new ATOM 0 HB2 SER B 47 -12.867 8.726 -6.117 1.00 0.00 H new ATOM 0 HB3 SER B 47 -14.500 9.115 -6.618 1.00 0.00 H new ATOM 0 HG SER B 47 -15.004 6.960 -6.784 1.00 0.00 H new ATOM 1782 N LYS B 48 -12.047 6.483 -7.627 1.00 0.00 N ATOM 1783 CA LYS B 48 -11.184 5.301 -7.868 1.00 0.00 C ATOM 1784 C LYS B 48 -11.510 4.275 -6.798 1.00 0.00 C ATOM 1785 O LYS B 48 -12.465 3.528 -6.902 1.00 0.00 O ATOM 1786 CB LYS B 48 -9.705 5.695 -7.761 1.00 0.00 C ATOM 1787 CG LYS B 48 -9.311 6.585 -8.944 1.00 0.00 C ATOM 1788 CD LYS B 48 -7.785 6.653 -9.048 1.00 0.00 C ATOM 1789 CE LYS B 48 -7.392 7.466 -10.282 1.00 0.00 C ATOM 1790 NZ LYS B 48 -7.924 8.853 -10.154 1.00 0.00 N ATOM 0 H LYS B 48 -12.413 6.560 -6.678 1.00 0.00 H new ATOM 0 HA LYS B 48 -11.362 4.899 -8.865 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -9.528 6.223 -6.824 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -9.082 4.800 -7.746 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -9.731 6.187 -9.868 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -9.722 7.586 -8.812 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -7.369 7.111 -8.151 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -7.370 5.647 -9.115 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -6.307 7.489 -10.385 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -7.787 6.995 -11.182 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -7.420 9.480 -10.813 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -8.939 8.858 -10.380 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -7.784 9.190 -9.180 1.00 0.00 H new ATOM 1804 N GLN B 49 -10.726 4.260 -5.752 1.00 0.00 N ATOM 1805 CA GLN B 49 -10.953 3.314 -4.621 1.00 0.00 C ATOM 1806 C GLN B 49 -11.099 4.142 -3.333 1.00 0.00 C ATOM 1807 O GLN B 49 -10.426 5.141 -3.148 1.00 0.00 O ATOM 1808 CB GLN B 49 -9.753 2.332 -4.508 1.00 0.00 C ATOM 1809 CG GLN B 49 -8.849 2.443 -5.743 1.00 0.00 C ATOM 1810 CD GLN B 49 -9.648 2.093 -6.999 1.00 0.00 C ATOM 1811 OE1 GLN B 49 -10.810 1.749 -6.917 1.00 0.00 O ATOM 1812 NE2 GLN B 49 -9.071 2.168 -8.167 1.00 0.00 N ATOM 0 H GLN B 49 -9.922 4.876 -5.633 1.00 0.00 H new ATOM 0 HA GLN B 49 -11.855 2.725 -4.786 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -9.178 2.553 -3.608 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -10.120 1.310 -4.409 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -8.450 3.454 -5.824 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -7.997 1.771 -5.643 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -8.095 2.457 -8.236 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -9.596 1.938 -9.011 1.00 0.00 H new ATOM 1821 N VAL B 50 -11.976 3.740 -2.448 1.00 0.00 N ATOM 1822 CA VAL B 50 -12.175 4.498 -1.170 1.00 0.00 C ATOM 1823 C VAL B 50 -12.140 3.519 -0.006 1.00 0.00 C ATOM 1824 O VAL B 50 -12.905 2.583 0.043 1.00 0.00 O ATOM 1825 CB VAL B 50 -13.533 5.205 -1.196 1.00 0.00 C ATOM 1826 CG1 VAL B 50 -13.626 6.165 -0.008 1.00 0.00 C ATOM 1827 CG2 VAL B 50 -13.677 5.983 -2.509 1.00 0.00 C ATOM 0 H VAL B 50 -12.567 2.915 -2.554 1.00 0.00 H new ATOM 0 HA VAL B 50 -11.385 5.241 -1.057 1.00 0.00 H new ATOM 0 HB VAL B 50 -14.334 4.469 -1.127 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -14.592 6.670 -0.023 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -13.524 5.605 0.921 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -12.828 6.905 -0.075 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -14.643 6.487 -2.529 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -12.880 6.723 -2.583 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -13.610 5.293 -3.350 1.00 0.00 H new ATOM 1837 N CYS B 51 -11.262 3.730 0.933 1.00 0.00 N ATOM 1838 CA CYS B 51 -11.174 2.799 2.088 1.00 0.00 C ATOM 1839 C CYS B 51 -12.390 2.995 2.989 1.00 0.00 C ATOM 1840 O CYS B 51 -12.939 4.075 3.087 1.00 0.00 O ATOM 1841 CB CYS B 51 -9.898 3.098 2.876 1.00 0.00 C ATOM 1842 SG CYS B 51 -8.453 2.784 1.830 1.00 0.00 S ATOM 0 H CYS B 51 -10.602 4.507 0.950 1.00 0.00 H new ATOM 0 HA CYS B 51 -11.151 1.769 1.732 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -9.899 4.135 3.210 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -9.855 2.475 3.769 1.00 0.00 H new ATOM 1847 N ALA B 52 -12.825 1.946 3.638 1.00 0.00 N ATOM 1848 CA ALA B 52 -14.021 2.048 4.527 1.00 0.00 C ATOM 1849 C ALA B 52 -13.800 1.197 5.780 1.00 0.00 C ATOM 1850 O ALA B 52 -13.360 0.065 5.707 1.00 0.00 O ATOM 1851 CB ALA B 52 -15.248 1.527 3.778 1.00 0.00 C ATOM 0 H ALA B 52 -12.402 1.019 3.590 1.00 0.00 H new ATOM 0 HA ALA B 52 -14.175 3.088 4.814 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -16.125 1.599 4.422 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -15.407 2.124 2.880 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -15.088 0.486 3.497 1.00 0.00 H new ATOM 1857 N ASP B 53 -14.102 1.737 6.930 1.00 0.00 N ATOM 1858 CA ASP B 53 -13.912 0.968 8.192 1.00 0.00 C ATOM 1859 C ASP B 53 -14.935 -0.194 8.244 1.00 0.00 C ATOM 1860 O ASP B 53 -16.120 0.070 8.271 1.00 0.00 O ATOM 1861 CB ASP B 53 -14.165 1.901 9.379 1.00 0.00 C ATOM 1862 CG ASP B 53 -13.673 1.235 10.666 1.00 0.00 C ATOM 1863 OD1 ASP B 53 -13.748 0.020 10.746 1.00 0.00 O ATOM 1864 OD2 ASP B 53 -13.228 1.951 11.547 1.00 0.00 O ATOM 0 H ASP B 53 -14.473 2.680 7.049 1.00 0.00 H new ATOM 0 HA ASP B 53 -12.899 0.569 8.232 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -13.648 2.849 9.227 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -15.228 2.127 9.457 1.00 0.00 H new ATOM 1869 N PRO B 54 -14.489 -1.446 8.260 1.00 0.00 N ATOM 1870 CA PRO B 54 -15.436 -2.581 8.312 1.00 0.00 C ATOM 1871 C PRO B 54 -16.276 -2.505 9.597 1.00 0.00 C ATOM 1872 O PRO B 54 -17.199 -3.270 9.795 1.00 0.00 O ATOM 1873 CB PRO B 54 -14.550 -3.848 8.305 1.00 0.00 C ATOM 1874 CG PRO B 54 -13.067 -3.385 8.240 1.00 0.00 C ATOM 1875 CD PRO B 54 -13.059 -1.840 8.228 1.00 0.00 C ATOM 0 HA PRO B 54 -16.136 -2.578 7.476 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -14.726 -4.443 9.201 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -14.792 -4.479 7.450 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -12.510 -3.764 9.097 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -12.582 -3.777 7.346 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -12.521 -1.442 9.088 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -12.564 -1.455 7.336 1.00 0.00 H new ATOM 1883 N SER B 55 -15.948 -1.601 10.476 1.00 0.00 N ATOM 1884 CA SER B 55 -16.707 -1.488 11.754 1.00 0.00 C ATOM 1885 C SER B 55 -18.046 -0.785 11.513 1.00 0.00 C ATOM 1886 O SER B 55 -18.959 -0.887 12.309 1.00 0.00 O ATOM 1887 CB SER B 55 -15.886 -0.684 12.762 1.00 0.00 C ATOM 1888 OG SER B 55 -15.684 0.630 12.260 1.00 0.00 O ATOM 0 H SER B 55 -15.185 -0.933 10.365 1.00 0.00 H new ATOM 0 HA SER B 55 -16.896 -2.488 12.145 1.00 0.00 H new ATOM 0 HB2 SER B 55 -16.403 -0.644 13.721 1.00 0.00 H new ATOM 0 HB3 SER B 55 -14.926 -1.170 12.938 1.00 0.00 H new ATOM 0 HG SER B 55 -15.159 1.149 12.904 1.00 0.00 H new ATOM 1894 N GLU B 56 -18.179 -0.074 10.426 1.00 0.00 N ATOM 1895 CA GLU B 56 -19.468 0.625 10.153 1.00 0.00 C ATOM 1896 C GLU B 56 -20.466 -0.376 9.559 1.00 0.00 C ATOM 1897 O GLU B 56 -20.240 -0.965 8.520 1.00 0.00 O ATOM 1898 CB GLU B 56 -19.230 1.775 9.173 1.00 0.00 C ATOM 1899 CG GLU B 56 -18.667 2.987 9.921 1.00 0.00 C ATOM 1900 CD GLU B 56 -18.234 4.055 8.915 1.00 0.00 C ATOM 1901 OE1 GLU B 56 -17.248 3.833 8.233 1.00 0.00 O ATOM 1902 OE2 GLU B 56 -18.898 5.076 8.844 1.00 0.00 O ATOM 0 H GLU B 56 -17.455 0.053 9.719 1.00 0.00 H new ATOM 0 HA GLU B 56 -19.873 1.031 11.080 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -18.535 1.463 8.393 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -20.164 2.043 8.679 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -19.421 3.393 10.596 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -17.818 2.686 10.535 1.00 0.00 H new ATOM 1909 N SER B 57 -21.559 -0.578 10.235 1.00 0.00 N ATOM 1910 CA SER B 57 -22.589 -1.546 9.762 1.00 0.00 C ATOM 1911 C SER B 57 -22.946 -1.316 8.290 1.00 0.00 C ATOM 1912 O SER B 57 -23.144 -2.255 7.547 1.00 0.00 O ATOM 1913 CB SER B 57 -23.848 -1.393 10.614 1.00 0.00 C ATOM 1914 OG SER B 57 -24.577 -0.253 10.176 1.00 0.00 O ATOM 0 H SER B 57 -21.788 -0.106 11.110 1.00 0.00 H new ATOM 0 HA SER B 57 -22.180 -2.552 9.858 1.00 0.00 H new ATOM 0 HB2 SER B 57 -24.466 -2.287 10.533 1.00 0.00 H new ATOM 0 HB3 SER B 57 -23.579 -1.285 11.665 1.00 0.00 H new ATOM 0 HG SER B 57 -25.386 -0.153 10.720 1.00 0.00 H new ATOM 1920 N TRP B 58 -23.058 -0.088 7.859 1.00 0.00 N ATOM 1921 CA TRP B 58 -23.433 0.142 6.435 1.00 0.00 C ATOM 1922 C TRP B 58 -22.383 -0.477 5.519 1.00 0.00 C ATOM 1923 O TRP B 58 -22.685 -0.927 4.435 1.00 0.00 O ATOM 1924 CB TRP B 58 -23.611 1.642 6.151 1.00 0.00 C ATOM 1925 CG TRP B 58 -22.295 2.346 6.023 1.00 0.00 C ATOM 1926 CD1 TRP B 58 -21.772 3.172 6.960 1.00 0.00 C ATOM 1927 CD2 TRP B 58 -21.351 2.342 4.909 1.00 0.00 C ATOM 1928 NE1 TRP B 58 -20.571 3.677 6.495 1.00 0.00 N ATOM 1929 CE2 TRP B 58 -20.261 3.191 5.243 1.00 0.00 C ATOM 1930 CE3 TRP B 58 -21.328 1.690 3.653 1.00 0.00 C ATOM 1931 CZ2 TRP B 58 -19.187 3.388 4.365 1.00 0.00 C ATOM 1932 CZ3 TRP B 58 -20.247 1.886 2.767 1.00 0.00 C ATOM 1933 CH2 TRP B 58 -19.179 2.732 3.124 1.00 0.00 C ATOM 0 H TRP B 58 -22.909 0.751 8.419 1.00 0.00 H new ATOM 0 HA TRP B 58 -24.390 -0.341 6.238 1.00 0.00 H new ATOM 0 HB2 TRP B 58 -24.183 1.772 5.232 1.00 0.00 H new ATOM 0 HB3 TRP B 58 -24.190 2.097 6.954 1.00 0.00 H new ATOM 0 HD1 TRP B 58 -22.220 3.400 7.916 1.00 0.00 H new ATOM 0 HE1 TRP B 58 -19.986 4.330 7.016 1.00 0.00 H new ATOM 0 HE3 TRP B 58 -22.142 1.039 3.371 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 -18.371 4.040 4.641 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 -20.239 1.385 1.810 1.00 0.00 H new ATOM 0 HH2 TRP B 58 -18.354 2.876 2.443 1.00 0.00 H new ATOM 1944 N VAL B 59 -21.159 -0.536 5.950 1.00 0.00 N ATOM 1945 CA VAL B 59 -20.115 -1.153 5.093 1.00 0.00 C ATOM 1946 C VAL B 59 -20.428 -2.635 4.942 1.00 0.00 C ATOM 1947 O VAL B 59 -20.399 -3.180 3.857 1.00 0.00 O ATOM 1948 CB VAL B 59 -18.750 -0.969 5.749 1.00 0.00 C ATOM 1949 CG1 VAL B 59 -17.667 -1.641 4.901 1.00 0.00 C ATOM 1950 CG2 VAL B 59 -18.470 0.527 5.860 1.00 0.00 C ATOM 0 H VAL B 59 -20.837 -0.186 6.852 1.00 0.00 H new ATOM 0 HA VAL B 59 -20.100 -0.680 4.111 1.00 0.00 H new ATOM 0 HB VAL B 59 -18.746 -1.426 6.739 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -16.696 -1.505 5.377 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -17.882 -2.706 4.814 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -17.651 -1.191 3.908 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -17.497 0.681 6.327 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -18.469 0.972 4.865 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -19.243 0.998 6.467 1.00 0.00 H new ATOM 1960 N GLN B 60 -20.752 -3.290 6.017 1.00 0.00 N ATOM 1961 CA GLN B 60 -21.090 -4.736 5.920 1.00 0.00 C ATOM 1962 C GLN B 60 -22.357 -4.893 5.076 1.00 0.00 C ATOM 1963 O GLN B 60 -22.487 -5.814 4.295 1.00 0.00 O ATOM 1964 CB GLN B 60 -21.331 -5.302 7.321 1.00 0.00 C ATOM 1965 CG GLN B 60 -20.028 -5.256 8.120 1.00 0.00 C ATOM 1966 CD GLN B 60 -19.083 -6.351 7.620 1.00 0.00 C ATOM 1967 OE1 GLN B 60 -18.034 -6.064 7.079 1.00 0.00 O ATOM 1968 NE2 GLN B 60 -19.413 -7.604 7.781 1.00 0.00 N ATOM 0 H GLN B 60 -20.798 -2.891 6.955 1.00 0.00 H new ATOM 0 HA GLN B 60 -20.267 -5.278 5.454 1.00 0.00 H new ATOM 0 HB2 GLN B 60 -22.103 -4.725 7.830 1.00 0.00 H new ATOM 0 HB3 GLN B 60 -21.693 -6.328 7.253 1.00 0.00 H new ATOM 0 HG2 GLN B 60 -19.558 -4.278 8.013 1.00 0.00 H new ATOM 0 HG3 GLN B 60 -20.235 -5.396 9.181 1.00 0.00 H new ATOM 0 HE21 GLN B 60 -20.294 -7.845 8.235 1.00 0.00 H new ATOM 0 HE22 GLN B 60 -18.790 -8.342 7.453 1.00 0.00 H new ATOM 1977 N GLU B 61 -23.292 -3.994 5.230 1.00 0.00 N ATOM 1978 CA GLU B 61 -24.556 -4.078 4.443 1.00 0.00 C ATOM 1979 C GLU B 61 -24.259 -3.877 2.954 1.00 0.00 C ATOM 1980 O GLU B 61 -24.681 -4.649 2.117 1.00 0.00 O ATOM 1981 CB GLU B 61 -25.523 -2.991 4.919 1.00 0.00 C ATOM 1982 CG GLU B 61 -26.897 -3.216 4.285 1.00 0.00 C ATOM 1983 CD GLU B 61 -27.837 -2.076 4.682 1.00 0.00 C ATOM 1984 OE1 GLU B 61 -27.337 -1.026 5.052 1.00 0.00 O ATOM 1985 OE2 GLU B 61 -29.039 -2.273 4.610 1.00 0.00 O ATOM 0 H GLU B 61 -23.234 -3.202 5.870 1.00 0.00 H new ATOM 0 HA GLU B 61 -25.005 -5.061 4.589 1.00 0.00 H new ATOM 0 HB2 GLU B 61 -25.604 -3.012 6.006 1.00 0.00 H new ATOM 0 HB3 GLU B 61 -25.142 -2.006 4.647 1.00 0.00 H new ATOM 0 HG2 GLU B 61 -26.805 -3.264 3.200 1.00 0.00 H new ATOM 0 HG3 GLU B 61 -27.308 -4.171 4.612 1.00 0.00 H new ATOM 1992 N TYR B 62 -23.537 -2.843 2.619 1.00 0.00 N ATOM 1993 CA TYR B 62 -23.214 -2.589 1.186 1.00 0.00 C ATOM 1994 C TYR B 62 -22.403 -3.765 0.635 1.00 0.00 C ATOM 1995 O TYR B 62 -22.562 -4.162 -0.502 1.00 0.00 O ATOM 1996 CB TYR B 62 -22.396 -1.291 1.058 1.00 0.00 C ATOM 1997 CG TYR B 62 -23.306 -0.074 1.069 1.00 0.00 C ATOM 1998 CD1 TYR B 62 -24.271 0.097 2.086 1.00 0.00 C ATOM 1999 CD2 TYR B 62 -23.180 0.902 0.056 1.00 0.00 C ATOM 2000 CE1 TYR B 62 -25.101 1.235 2.087 1.00 0.00 C ATOM 2001 CE2 TYR B 62 -24.012 2.037 0.060 1.00 0.00 C ATOM 2002 CZ TYR B 62 -24.971 2.204 1.074 1.00 0.00 C ATOM 2003 OH TYR B 62 -25.785 3.318 1.077 1.00 0.00 O ATOM 0 H TYR B 62 -23.156 -2.162 3.276 1.00 0.00 H new ATOM 0 HA TYR B 62 -24.139 -2.485 0.618 1.00 0.00 H new ATOM 0 HB2 TYR B 62 -21.682 -1.224 1.879 1.00 0.00 H new ATOM 0 HB3 TYR B 62 -21.818 -1.310 0.134 1.00 0.00 H new ATOM 0 HD1 TYR B 62 -24.373 -0.646 2.864 1.00 0.00 H new ATOM 0 HD2 TYR B 62 -22.443 0.777 -0.724 1.00 0.00 H new ATOM 0 HE1 TYR B 62 -25.838 1.364 2.866 1.00 0.00 H new ATOM 0 HE2 TYR B 62 -23.914 2.781 -0.717 1.00 0.00 H new ATOM 0 HH TYR B 62 -25.564 3.886 0.310 1.00 0.00 H new ATOM 2013 N VAL B 63 -21.541 -4.332 1.433 1.00 0.00 N ATOM 2014 CA VAL B 63 -20.737 -5.486 0.954 1.00 0.00 C ATOM 2015 C VAL B 63 -21.687 -6.645 0.692 1.00 0.00 C ATOM 2016 O VAL B 63 -21.553 -7.373 -0.270 1.00 0.00 O ATOM 2017 CB VAL B 63 -19.717 -5.873 2.030 1.00 0.00 C ATOM 2018 CG1 VAL B 63 -19.091 -7.232 1.698 1.00 0.00 C ATOM 2019 CG2 VAL B 63 -18.614 -4.810 2.088 1.00 0.00 C ATOM 0 H VAL B 63 -21.360 -4.045 2.395 1.00 0.00 H new ATOM 0 HA VAL B 63 -20.201 -5.231 0.040 1.00 0.00 H new ATOM 0 HB VAL B 63 -20.223 -5.938 2.993 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -18.368 -7.497 2.469 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -19.872 -7.992 1.656 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -18.588 -7.175 0.733 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -17.886 -5.082 2.853 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -18.117 -4.748 1.120 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -19.053 -3.843 2.333 1.00 0.00 H new ATOM 2029 N TYR B 64 -22.653 -6.811 1.545 1.00 0.00 N ATOM 2030 CA TYR B 64 -23.626 -7.914 1.360 1.00 0.00 C ATOM 2031 C TYR B 64 -24.405 -7.679 0.068 1.00 0.00 C ATOM 2032 O TYR B 64 -24.643 -8.583 -0.705 1.00 0.00 O ATOM 2033 CB TYR B 64 -24.594 -7.936 2.548 1.00 0.00 C ATOM 2034 CG TYR B 64 -25.279 -9.282 2.628 1.00 0.00 C ATOM 2035 CD1 TYR B 64 -24.563 -10.410 3.073 1.00 0.00 C ATOM 2036 CD2 TYR B 64 -26.633 -9.409 2.259 1.00 0.00 C ATOM 2037 CE1 TYR B 64 -25.199 -11.663 3.149 1.00 0.00 C ATOM 2038 CE2 TYR B 64 -27.269 -10.663 2.335 1.00 0.00 C ATOM 2039 CZ TYR B 64 -26.552 -11.790 2.780 1.00 0.00 C ATOM 2040 OH TYR B 64 -27.176 -13.019 2.854 1.00 0.00 O ATOM 0 H TYR B 64 -22.811 -6.227 2.366 1.00 0.00 H new ATOM 0 HA TYR B 64 -23.102 -8.868 1.302 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -24.053 -7.738 3.473 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -25.337 -7.146 2.438 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -23.525 -10.313 3.356 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -27.183 -8.544 1.918 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -24.649 -12.528 3.490 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -28.307 -10.760 2.052 1.00 0.00 H new ATOM 0 HH TYR B 64 -28.108 -12.931 2.564 1.00 0.00 H new ATOM 2050 N ASP B 65 -24.800 -6.461 -0.162 1.00 0.00 N ATOM 2051 CA ASP B 65 -25.569 -6.139 -1.397 1.00 0.00 C ATOM 2052 C ASP B 65 -24.719 -6.456 -2.630 1.00 0.00 C ATOM 2053 O ASP B 65 -25.221 -6.885 -3.650 1.00 0.00 O ATOM 2054 CB ASP B 65 -25.929 -4.650 -1.387 1.00 0.00 C ATOM 2055 CG ASP B 65 -27.123 -4.411 -0.460 1.00 0.00 C ATOM 2056 OD1 ASP B 65 -27.152 -5.011 0.602 1.00 0.00 O ATOM 2057 OD2 ASP B 65 -27.987 -3.634 -0.828 1.00 0.00 O ATOM 0 H ASP B 65 -24.623 -5.668 0.455 1.00 0.00 H new ATOM 0 HA ASP B 65 -26.480 -6.737 -1.430 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -25.074 -4.062 -1.053 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -26.169 -4.318 -2.397 1.00 0.00 H new ATOM 2062 N LEU B 66 -23.438 -6.245 -2.542 1.00 0.00 N ATOM 2063 CA LEU B 66 -22.550 -6.531 -3.703 1.00 0.00 C ATOM 2064 C LEU B 66 -22.425 -8.046 -3.885 1.00 0.00 C ATOM 2065 O LEU B 66 -22.249 -8.538 -4.983 1.00 0.00 O ATOM 2066 CB LEU B 66 -21.168 -5.920 -3.429 1.00 0.00 C ATOM 2067 CG LEU B 66 -21.179 -4.409 -3.744 1.00 0.00 C ATOM 2068 CD1 LEU B 66 -20.041 -3.717 -2.988 1.00 0.00 C ATOM 2069 CD2 LEU B 66 -20.977 -4.176 -5.251 1.00 0.00 C ATOM 0 H LEU B 66 -22.964 -5.885 -1.713 1.00 0.00 H new ATOM 0 HA LEU B 66 -22.967 -6.098 -4.612 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -20.893 -6.079 -2.386 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -20.415 -6.420 -4.038 1.00 0.00 H new ATOM 0 HG LEU B 66 -22.141 -3.999 -3.436 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -20.051 -2.650 -3.212 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -20.174 -3.864 -1.916 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -19.087 -4.144 -3.297 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -20.987 -3.106 -5.458 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -20.020 -4.596 -5.559 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -21.781 -4.660 -5.805 1.00 0.00 H new ATOM 2081 N GLU B 67 -22.523 -8.786 -2.819 1.00 0.00 N ATOM 2082 CA GLU B 67 -22.418 -10.269 -2.926 1.00 0.00 C ATOM 2083 C GLU B 67 -23.694 -10.818 -3.563 1.00 0.00 C ATOM 2084 O GLU B 67 -23.684 -11.836 -4.226 1.00 0.00 O ATOM 2085 CB GLU B 67 -22.254 -10.867 -1.528 1.00 0.00 C ATOM 2086 CG GLU B 67 -20.915 -10.425 -0.932 1.00 0.00 C ATOM 2087 CD GLU B 67 -19.781 -11.269 -1.521 1.00 0.00 C ATOM 2088 OE1 GLU B 67 -19.656 -12.417 -1.126 1.00 0.00 O ATOM 2089 OE2 GLU B 67 -19.056 -10.753 -2.355 1.00 0.00 O ATOM 0 H GLU B 67 -22.672 -8.429 -1.875 1.00 0.00 H new ATOM 0 HA GLU B 67 -21.557 -10.533 -3.540 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -23.073 -10.544 -0.885 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -22.299 -11.955 -1.580 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -20.743 -9.370 -1.144 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -20.936 -10.533 0.152 1.00 0.00 H new ATOM 2096 N LEU B 68 -24.795 -10.147 -3.368 1.00 0.00 N ATOM 2097 CA LEU B 68 -26.075 -10.626 -3.964 1.00 0.00 C ATOM 2098 C LEU B 68 -26.101 -10.284 -5.455 1.00 0.00 C ATOM 2099 O LEU B 68 -25.651 -11.050 -6.284 1.00 0.00 O ATOM 2100 CB LEU B 68 -27.253 -9.946 -3.270 1.00 0.00 C ATOM 2101 CG LEU B 68 -27.286 -10.338 -1.789 1.00 0.00 C ATOM 2102 CD1 LEU B 68 -28.422 -9.580 -1.113 1.00 0.00 C ATOM 2103 CD2 LEU B 68 -27.512 -11.856 -1.635 1.00 0.00 C ATOM 0 H LEU B 68 -24.865 -9.288 -2.822 1.00 0.00 H new ATOM 0 HA LEU B 68 -26.151 -11.705 -3.833 1.00 0.00 H new ATOM 0 HB2 LEU B 68 -27.167 -8.864 -3.366 1.00 0.00 H new ATOM 0 HB3 LEU B 68 -28.187 -10.236 -3.752 1.00 0.00 H new ATOM 0 HG LEU B 68 -26.332 -10.085 -1.326 1.00 0.00 H new ATOM 0 HD11 LEU B 68 -28.460 -9.847 -0.057 1.00 0.00 H new ATOM 0 HD12 LEU B 68 -28.252 -8.508 -1.210 1.00 0.00 H new ATOM 0 HD13 LEU B 68 -29.367 -9.842 -1.588 1.00 0.00 H new ATOM 0 HD21 LEU B 68 -27.532 -12.115 -0.576 1.00 0.00 H new ATOM 0 HD22 LEU B 68 -28.461 -12.131 -2.094 1.00 0.00 H new ATOM 0 HD23 LEU B 68 -26.702 -12.396 -2.125 1.00 0.00 H new ATOM 2115 N ASN B 69 -26.627 -9.140 -5.804 1.00 0.00 N ATOM 2116 CA ASN B 69 -26.684 -8.747 -7.243 1.00 0.00 C ATOM 2117 C ASN B 69 -25.403 -8.001 -7.619 1.00 0.00 C ATOM 2118 O ASN B 69 -25.313 -7.552 -8.750 1.00 0.00 O ATOM 2119 CB ASN B 69 -27.890 -7.831 -7.470 1.00 0.00 C ATOM 2120 CG ASN B 69 -27.846 -6.671 -6.474 1.00 0.00 C ATOM 2121 OD1 ASN B 69 -28.760 -5.872 -6.414 1.00 0.00 O ATOM 2122 ND2 ASN B 69 -26.816 -6.546 -5.683 1.00 0.00 N ATOM 2123 OXT ASN B 69 -24.533 -7.892 -6.771 1.00 0.00 O ATOM 0 H ASN B 69 -27.020 -8.460 -5.154 1.00 0.00 H new ATOM 0 HA ASN B 69 -26.780 -9.640 -7.861 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -27.882 -7.448 -8.491 1.00 0.00 H new ATOM 0 HB3 ASN B 69 -28.815 -8.394 -7.348 1.00 0.00 H new ATOM 0 HD21 ASN B 69 -26.777 -5.777 -5.014 1.00 0.00 H new ATOM 0 HD22 ASN B 69 -26.049 -7.217 -5.734 1.00 0.00 H new TER 2130 ASN B 69 HETATM 2131 O HOH A 201 6.741 1.597 5.682 1.00 0.00 O HETATM 2134 O HOH A 202 4.163 5.529 6.247 1.00 0.00 O HETATM 2137 O HOH B 301 -6.862 -1.462 5.685 1.00 0.00 O HETATM 2140 O HOH B 302 -4.287 -5.384 6.311 1.00 0.00 O