USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 143 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 THR OG1 : rot -35:sc= -4.48! USER MOD Set 1.2: A 68 HIS : no HE2:sc= -17.5! C(o=-35!,f=-24!) USER MOD Set 1.3: A 71 GLN : amide:sc= -13.1! C(o=-35!,f=-24!) USER MOD Set 2.1: A 24 TYR OH : rot -120:sc= -2.62! USER MOD Set 2.2: A 51 LYS NZ :NH3+ -131:sc= 0.974 (180deg=-1.33!) USER MOD Set 3.1: A 1 ILE N :NH3+ 138:sc= 0.386 (180deg=-0.662) USER MOD Set 3.2: A 15 THR OG1 : rot -86:sc= 2.03 USER MOD Single : A 4 HIS : no HD1:sc= -7.58! C(o=-7.6!,f=-9!) USER MOD Single : A 5 THR OG1 : rot -84:sc= -5.26! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 10:sc= 0.861 USER MOD Single : A 21 ASN : amide:sc= -0.853 K(o=-0.85,f=-0.12) USER MOD Single : A 26 LYS NZ :NH3+ -120:sc= -0.143 (180deg=-3.29!) USER MOD Single : A 27 MET CE :methyl -153:sc= -0.564 (180deg=-2.23!) USER MOD Single : A 34 SER OG : rot 27:sc= 0.253 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -135:sc= -6.82! (180deg=-9.34!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 100:sc= -0.456 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.652 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -113:sc= -2.58! (180deg=-5.42!) USER MOD Single : A 66 ASN : amide:sc= -22.8! C(o=-23!,f=-29!) USER MOD Single : A 70 LYS NZ :NH3+ -173:sc= -9! (180deg=-9.89!) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 4.091 14.119 -2.579 1.00 0.00 N ATOM 2 CA ILE A 1 3.651 13.965 -3.987 1.00 0.00 C ATOM 3 C ILE A 1 4.326 12.739 -4.618 1.00 0.00 C ATOM 4 O ILE A 1 5.457 12.785 -5.107 1.00 0.00 O ATOM 5 CB ILE A 1 3.943 15.217 -4.833 1.00 0.00 C ATOM 6 CG1 ILE A 1 3.168 16.421 -4.289 1.00 0.00 C ATOM 7 CG2 ILE A 1 3.619 14.990 -6.326 1.00 0.00 C ATOM 8 CD1 ILE A 1 3.674 17.746 -4.872 1.00 0.00 C ATOM 0 H1 ILE A 1 4.274 15.123 -2.380 1.00 0.00 H new ATOM 0 H2 ILE A 1 3.346 13.770 -1.942 1.00 0.00 H new ATOM 0 H3 ILE A 1 4.962 13.572 -2.426 1.00 0.00 H new ATOM 0 HA ILE A 1 2.570 13.826 -3.974 1.00 0.00 H new ATOM 0 HB ILE A 1 5.011 15.423 -4.760 1.00 0.00 H new ATOM 0 HG12 ILE A 1 2.109 16.305 -4.521 1.00 0.00 H new ATOM 0 HG13 ILE A 1 3.255 16.447 -3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 1 3.839 15.898 -6.888 1.00 0.00 H new ATOM 0 HG22 ILE A 1 4.226 14.170 -6.709 1.00 0.00 H new ATOM 0 HG23 ILE A 1 2.563 14.742 -6.436 1.00 0.00 H new ATOM 0 HD11 ILE A 1 3.095 18.571 -4.457 1.00 0.00 H new ATOM 0 HD12 ILE A 1 4.726 17.877 -4.618 1.00 0.00 H new ATOM 0 HD13 ILE A 1 3.562 17.733 -5.956 1.00 0.00 H new ATOM 12 N VAL A 2 3.652 11.628 -4.567 1.00 0.00 N ATOM 13 CA VAL A 2 4.068 10.353 -5.138 1.00 0.00 C ATOM 14 C VAL A 2 2.846 9.470 -5.377 1.00 0.00 C ATOM 15 O VAL A 2 2.051 9.800 -6.206 1.00 0.00 O ATOM 16 CB VAL A 2 5.060 9.668 -4.219 1.00 0.00 C ATOM 17 CG1 VAL A 2 4.525 9.555 -2.784 1.00 0.00 C ATOM 18 CG2 VAL A 2 5.373 8.359 -4.971 1.00 0.00 C ATOM 0 H VAL A 2 2.745 11.570 -4.103 1.00 0.00 H new ATOM 0 HA VAL A 2 4.559 10.530 -6.095 1.00 0.00 H new ATOM 0 HB VAL A 2 5.986 10.213 -4.034 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.266 9.058 -2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.326 10.552 -2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 2 3.602 8.975 -2.784 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.089 7.772 -4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.455 7.786 -5.101 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.796 8.593 -5.948 1.00 0.00 H new ATOM 20 N CYS A 3 2.664 8.395 -4.626 1.00 0.00 N ATOM 21 CA CYS A 3 1.645 7.410 -4.822 1.00 0.00 C ATOM 22 C CYS A 3 0.367 8.127 -4.544 1.00 0.00 C ATOM 23 O CYS A 3 0.321 8.949 -3.649 1.00 0.00 O ATOM 24 CB CYS A 3 1.835 6.384 -3.761 1.00 0.00 C ATOM 25 SG CYS A 3 1.378 6.721 -2.012 1.00 0.00 S ATOM 0 H CYS A 3 3.261 8.188 -3.825 1.00 0.00 H new ATOM 0 HA CYS A 3 1.661 6.952 -5.811 1.00 0.00 H new ATOM 0 HB2 CYS A 3 1.277 5.500 -4.070 1.00 0.00 H new ATOM 0 HB3 CYS A 3 2.891 6.113 -3.767 1.00 0.00 H new ATOM 27 N HIS A 4 -0.659 7.629 -5.127 1.00 0.00 N ATOM 28 CA HIS A 4 -1.961 8.295 -5.102 1.00 0.00 C ATOM 29 C HIS A 4 -3.011 7.195 -5.152 1.00 0.00 C ATOM 30 O HIS A 4 -3.735 6.982 -6.125 1.00 0.00 O ATOM 31 CB HIS A 4 -2.196 9.297 -6.247 1.00 0.00 C ATOM 32 CG HIS A 4 -1.113 10.319 -6.638 1.00 0.00 C ATOM 33 ND1 HIS A 4 -0.255 10.316 -7.637 1.00 0.00 N ATOM 34 CD2 HIS A 4 -0.978 11.477 -6.010 1.00 0.00 C ATOM 35 CE1 HIS A 4 0.417 11.468 -7.615 1.00 0.00 C ATOM 36 NE2 HIS A 4 -0.020 12.183 -6.586 1.00 0.00 N ATOM 0 H HIS A 4 -0.648 6.749 -5.642 1.00 0.00 H new ATOM 0 HA HIS A 4 -2.015 8.898 -4.195 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -2.423 8.715 -7.140 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -3.094 9.862 -5.998 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -1.561 11.796 -5.158 1.00 0.00 H new ATOM 0 HE1 HIS A 4 1.184 11.767 -8.314 1.00 0.00 H new ATOM 0 HE2 HIS A 4 0.318 13.100 -6.295 1.00 0.00 H new ATOM 39 N THR A 5 -2.929 6.387 -4.116 1.00 0.00 N ATOM 40 CA THR A 5 -3.846 5.235 -3.984 1.00 0.00 C ATOM 41 C THR A 5 -4.206 5.006 -2.525 1.00 0.00 C ATOM 42 O THR A 5 -5.031 5.765 -2.009 1.00 0.00 O ATOM 43 CB THR A 5 -3.245 3.986 -4.623 1.00 0.00 C ATOM 44 OG1 THR A 5 -2.012 3.884 -3.987 1.00 0.00 O ATOM 45 CG2 THR A 5 -2.809 4.090 -6.082 1.00 0.00 C ATOM 0 H THR A 5 -2.256 6.489 -3.357 1.00 0.00 H new ATOM 0 HA THR A 5 -4.768 5.460 -4.520 1.00 0.00 H new ATOM 0 HB THR A 5 -3.997 3.201 -4.546 1.00 0.00 H new ATOM 0 HG1 THR A 5 -1.360 4.457 -4.443 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.401 3.134 -6.409 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.668 4.349 -6.701 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.046 4.862 -6.180 1.00 0.00 H new ATOM 48 N THR A 6 -3.527 4.131 -1.781 1.00 0.00 N ATOM 49 CA THR A 6 -3.818 4.034 -0.355 1.00 0.00 C ATOM 50 C THR A 6 -2.650 4.690 0.343 1.00 0.00 C ATOM 51 O THR A 6 -2.287 5.795 -0.273 1.00 0.00 O ATOM 52 CB THR A 6 -3.838 2.603 0.215 1.00 0.00 C ATOM 53 OG1 THR A 6 -4.226 1.740 -0.743 1.00 0.00 O ATOM 54 CG2 THR A 6 -4.092 2.030 1.586 1.00 0.00 C ATOM 0 H THR A 6 -2.801 3.504 -2.126 1.00 0.00 H new ATOM 0 HA THR A 6 -4.804 4.474 -0.205 1.00 0.00 H new ATOM 0 HB THR A 6 -2.840 2.810 0.602 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.896 2.168 -1.317 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.006 0.944 1.548 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.359 2.428 2.288 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.095 2.303 1.914 1.00 0.00 H new ATOM 57 N ALA A 7 -2.250 4.344 1.450 1.00 0.00 N ATOM 58 CA ALA A 7 -1.281 4.985 2.400 1.00 0.00 C ATOM 59 C ALA A 7 -1.872 5.322 3.735 1.00 0.00 C ATOM 60 O ALA A 7 -2.137 6.506 3.942 1.00 0.00 O ATOM 61 CB ALA A 7 -0.542 6.213 1.782 1.00 0.00 C ATOM 0 H ALA A 7 -2.601 3.475 1.851 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.533 4.213 2.582 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.144 6.633 2.518 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.018 5.896 0.902 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.272 6.970 1.494 1.00 0.00 H new ATOM 63 N THR A 8 -2.257 4.305 4.538 1.00 0.00 N ATOM 64 CA THR A 8 -3.008 4.550 5.797 1.00 0.00 C ATOM 65 C THR A 8 -4.492 4.623 5.451 1.00 0.00 C ATOM 66 O THR A 8 -5.022 5.777 5.387 1.00 0.00 O ATOM 67 CB THR A 8 -2.573 5.873 6.474 1.00 0.00 C ATOM 68 OG1 THR A 8 -1.207 5.770 6.826 1.00 0.00 O ATOM 69 CG2 THR A 8 -3.392 6.449 7.636 1.00 0.00 C ATOM 0 H THR A 8 -2.066 3.322 4.345 1.00 0.00 H new ATOM 0 HA THR A 8 -2.803 3.740 6.497 1.00 0.00 H new ATOM 0 HB THR A 8 -2.777 6.618 5.705 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.916 6.602 7.255 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.934 7.377 7.979 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.409 6.649 7.300 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.415 5.731 8.456 1.00 0.00 H new ATOM 72 N SER A 9 -5.073 3.530 5.042 1.00 0.00 N ATOM 73 CA SER A 9 -6.540 3.381 4.763 1.00 0.00 C ATOM 74 C SER A 9 -6.939 3.595 3.279 1.00 0.00 C ATOM 75 O SER A 9 -6.203 3.198 2.431 1.00 0.00 O ATOM 76 CB SER A 9 -7.288 4.337 5.693 1.00 0.00 C ATOM 77 OG SER A 9 -7.326 4.128 7.073 1.00 0.00 O ATOM 0 H SER A 9 -4.552 2.669 4.877 1.00 0.00 H new ATOM 0 HA SER A 9 -6.818 2.345 4.958 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.866 5.329 5.534 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.322 4.371 5.349 1.00 0.00 H new ATOM 0 HG SER A 9 -7.847 4.841 7.498 1.00 0.00 H new ATOM 80 N PRO A 10 -8.074 4.159 2.822 1.00 0.00 N ATOM 81 CA PRO A 10 -8.323 4.387 1.386 1.00 0.00 C ATOM 82 C PRO A 10 -7.491 5.528 0.800 1.00 0.00 C ATOM 83 O PRO A 10 -7.304 5.588 -0.416 1.00 0.00 O ATOM 84 CB PRO A 10 -9.822 4.693 1.343 1.00 0.00 C ATOM 85 CG PRO A 10 -10.094 5.403 2.661 1.00 0.00 C ATOM 86 CD PRO A 10 -9.312 4.469 3.546 1.00 0.00 C ATOM 0 HA PRO A 10 -8.035 3.530 0.777 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.076 5.323 0.491 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.412 3.781 1.252 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.720 6.426 2.681 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.153 5.446 2.914 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.095 4.935 4.507 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.880 3.562 3.752 1.00 0.00 H new ATOM 87 N ILE A 11 -7.115 6.488 1.650 1.00 0.00 N ATOM 88 CA ILE A 11 -6.296 7.660 1.247 1.00 0.00 C ATOM 89 C ILE A 11 -7.125 8.365 0.211 1.00 0.00 C ATOM 90 O ILE A 11 -8.340 8.168 0.150 1.00 0.00 O ATOM 91 CB ILE A 11 -4.893 7.217 0.743 1.00 0.00 C ATOM 92 CG1 ILE A 11 -4.145 6.901 1.993 1.00 0.00 C ATOM 93 CG2 ILE A 11 -3.903 8.191 0.093 1.00 0.00 C ATOM 94 CD1 ILE A 11 -4.639 5.603 2.575 1.00 0.00 C ATOM 0 H ILE A 11 -7.364 6.485 2.639 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.072 8.334 2.074 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.147 6.484 -0.022 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.078 6.831 1.780 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.274 7.706 2.717 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.992 7.657 -0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.351 8.622 -0.802 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.661 8.988 0.797 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.087 5.380 3.488 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.701 5.688 2.805 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.487 4.800 1.854 1.00 0.00 H new ATOM 96 N SER A 12 -6.453 9.129 -0.623 1.00 0.00 N ATOM 97 CA SER A 12 -7.028 9.865 -1.725 1.00 0.00 C ATOM 98 C SER A 12 -5.938 10.491 -2.575 1.00 0.00 C ATOM 99 O SER A 12 -6.099 11.642 -2.951 1.00 0.00 O ATOM 100 CB SER A 12 -7.893 10.991 -1.144 1.00 0.00 C ATOM 101 OG SER A 12 -9.094 10.407 -0.669 1.00 0.00 O ATOM 0 H SER A 12 -5.444 9.259 -0.546 1.00 0.00 H new ATOM 0 HA SER A 12 -7.616 9.187 -2.344 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.368 11.499 -0.335 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.107 11.741 -1.905 1.00 0.00 H new ATOM 0 HG SER A 12 -9.011 9.431 -0.682 1.00 0.00 H new ATOM 104 N ALA A 13 -4.797 9.806 -2.704 1.00 0.00 N ATOM 105 CA ALA A 13 -3.673 10.319 -3.484 1.00 0.00 C ATOM 106 C ALA A 13 -2.543 10.724 -2.585 1.00 0.00 C ATOM 107 O ALA A 13 -1.472 10.471 -2.976 1.00 0.00 O ATOM 108 CB ALA A 13 -3.874 11.480 -4.483 1.00 0.00 C ATOM 0 H ALA A 13 -4.630 8.895 -2.277 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.484 9.450 -4.114 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.924 11.716 -4.963 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.600 11.186 -5.241 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.240 12.358 -3.951 1.00 0.00 H new ATOM 110 N VAL A 14 -2.910 11.245 -1.353 1.00 0.00 N ATOM 111 CA VAL A 14 -1.993 11.671 -0.294 1.00 0.00 C ATOM 112 C VAL A 14 -0.587 11.739 -0.794 1.00 0.00 C ATOM 113 O VAL A 14 -0.229 12.787 -1.142 1.00 0.00 O ATOM 114 CB VAL A 14 -2.087 10.890 1.027 1.00 0.00 C ATOM 115 CG1 VAL A 14 -0.944 11.159 2.026 1.00 0.00 C ATOM 116 CG2 VAL A 14 -3.382 11.313 1.703 1.00 0.00 C ATOM 0 H VAL A 14 -3.888 11.371 -1.093 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.331 12.673 -0.030 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.033 9.832 0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.099 10.563 2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.009 10.888 1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.932 12.217 2.289 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.490 10.781 2.648 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.360 12.386 1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.225 11.075 1.055 1.00 0.00 H new ATOM 118 N THR A 15 0.023 10.468 -0.807 1.00 0.00 N ATOM 119 CA THR A 15 1.296 10.188 -1.395 1.00 0.00 C ATOM 120 C THR A 15 2.258 9.911 -0.246 1.00 0.00 C ATOM 121 O THR A 15 3.370 10.336 -0.287 1.00 0.00 O ATOM 122 CB THR A 15 1.915 11.328 -2.217 1.00 0.00 C ATOM 123 OG1 THR A 15 2.271 12.406 -1.346 1.00 0.00 O ATOM 124 CG2 THR A 15 1.074 11.750 -3.425 1.00 0.00 C ATOM 0 H THR A 15 -0.413 9.646 -0.389 1.00 0.00 H new ATOM 0 HA THR A 15 1.138 9.359 -2.085 1.00 0.00 H new ATOM 0 HB THR A 15 2.829 10.955 -2.679 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.496 12.992 -1.218 1.00 0.00 H new ATOM 0 HG21 THR A 15 1.578 12.559 -3.954 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.949 10.900 -4.096 1.00 0.00 H new ATOM 0 HG23 THR A 15 0.096 12.092 -3.086 1.00 0.00 H new ATOM 127 N CYS A 16 1.679 9.398 0.863 1.00 0.00 N ATOM 128 CA CYS A 16 2.503 9.061 2.027 1.00 0.00 C ATOM 129 C CYS A 16 3.028 10.379 2.673 1.00 0.00 C ATOM 130 O CYS A 16 2.477 11.418 2.466 1.00 0.00 O ATOM 131 CB CYS A 16 3.546 8.143 1.414 1.00 0.00 C ATOM 132 SG CYS A 16 5.195 8.829 0.880 1.00 0.00 S ATOM 0 H CYS A 16 0.681 9.216 0.969 1.00 0.00 H new ATOM 0 HA CYS A 16 2.012 8.560 2.861 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.743 7.350 2.135 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.092 7.674 0.541 1.00 0.00 H new ATOM 134 N PRO A 17 4.132 10.236 3.480 1.00 0.00 N ATOM 135 CA PRO A 17 4.749 11.404 4.096 1.00 0.00 C ATOM 136 C PRO A 17 5.546 12.247 3.055 1.00 0.00 C ATOM 137 O PRO A 17 5.124 12.348 1.907 1.00 0.00 O ATOM 138 CB PRO A 17 5.473 10.634 5.223 1.00 0.00 C ATOM 139 CG PRO A 17 6.102 9.460 4.521 1.00 0.00 C ATOM 140 CD PRO A 17 4.734 9.030 4.057 1.00 0.00 C ATOM 0 HA PRO A 17 4.147 12.225 4.486 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.224 11.255 5.711 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.776 10.310 5.996 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.799 9.718 3.724 1.00 0.00 H new ATOM 0 HG3 PRO A 17 6.612 8.751 5.174 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.801 8.231 3.319 1.00 0.00 H new ATOM 0 HD3 PRO A 17 4.138 8.649 4.886 1.00 0.00 H new ATOM 141 N PRO A 18 6.640 12.928 3.479 1.00 0.00 N ATOM 142 CA PRO A 18 7.461 13.752 2.583 1.00 0.00 C ATOM 143 C PRO A 18 8.253 12.850 1.628 1.00 0.00 C ATOM 144 O PRO A 18 7.684 12.175 0.780 1.00 0.00 O ATOM 145 CB PRO A 18 8.310 14.583 3.567 1.00 0.00 C ATOM 146 CG PRO A 18 8.569 13.637 4.733 1.00 0.00 C ATOM 147 CD PRO A 18 7.175 13.068 4.847 1.00 0.00 C ATOM 0 HA PRO A 18 6.914 14.410 1.908 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.242 14.913 3.108 1.00 0.00 H new ATOM 0 HB3 PRO A 18 7.780 15.479 3.892 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.321 12.881 4.509 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.894 14.153 5.636 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.195 12.102 5.351 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.540 13.725 5.442 1.00 0.00 H new ATOM 148 N GLY A 19 9.586 12.849 1.812 1.00 0.00 N ATOM 149 CA GLY A 19 10.518 12.102 0.957 1.00 0.00 C ATOM 150 C GLY A 19 10.620 12.688 -0.456 1.00 0.00 C ATOM 151 O GLY A 19 11.682 12.596 -1.053 1.00 0.00 O ATOM 0 H GLY A 19 10.045 13.368 2.560 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.506 12.100 1.418 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.194 11.063 0.893 1.00 0.00 H new ATOM 153 N GLU A 20 9.563 13.396 -0.890 1.00 0.00 N ATOM 154 CA GLU A 20 9.464 14.023 -2.218 1.00 0.00 C ATOM 155 C GLU A 20 9.504 12.950 -3.297 1.00 0.00 C ATOM 156 O GLU A 20 10.564 12.707 -3.870 1.00 0.00 O ATOM 157 CB GLU A 20 10.641 14.988 -2.426 1.00 0.00 C ATOM 158 CG GLU A 20 10.559 16.172 -1.481 1.00 0.00 C ATOM 159 CD GLU A 20 9.450 17.069 -2.012 1.00 0.00 C ATOM 160 OE1 GLU A 20 8.287 16.840 -1.608 1.00 0.00 O ATOM 161 OE2 GLU A 20 9.797 17.931 -2.844 1.00 0.00 O ATOM 0 H GLU A 20 8.736 13.551 -0.314 1.00 0.00 H new ATOM 0 HA GLU A 20 8.525 14.572 -2.281 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.580 14.458 -2.267 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.645 15.343 -3.457 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.340 15.844 -0.465 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.508 16.707 -1.445 1.00 0.00 H new ATOM 163 N ASN A 21 8.348 12.299 -3.479 1.00 0.00 N ATOM 164 CA ASN A 21 8.162 11.202 -4.434 1.00 0.00 C ATOM 165 C ASN A 21 8.388 9.889 -3.706 1.00 0.00 C ATOM 166 O ASN A 21 9.073 9.903 -2.625 1.00 0.00 O ATOM 167 CB ASN A 21 9.060 11.267 -5.698 1.00 0.00 C ATOM 168 CG ASN A 21 8.798 12.521 -6.518 1.00 0.00 C ATOM 169 OD1 ASN A 21 9.648 13.319 -6.882 1.00 0.00 O ATOM 170 ND2 ASN A 21 7.543 12.624 -6.859 1.00 0.00 N ATOM 0 H ASN A 21 7.501 12.525 -2.957 1.00 0.00 H new ATOM 0 HA ASN A 21 7.143 11.291 -4.811 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.108 11.241 -5.400 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.882 10.386 -6.315 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.238 13.395 -7.453 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.867 11.934 -6.531 1.00 0.00 H new ATOM 174 N LEU A 22 7.992 8.828 -4.260 1.00 0.00 N ATOM 175 CA LEU A 22 8.079 7.413 -3.746 1.00 0.00 C ATOM 176 C LEU A 22 7.021 7.154 -2.675 1.00 0.00 C ATOM 177 O LEU A 22 6.607 8.038 -1.956 1.00 0.00 O ATOM 178 CB LEU A 22 9.438 7.150 -3.112 1.00 0.00 C ATOM 179 CG LEU A 22 10.602 7.297 -4.101 1.00 0.00 C ATOM 180 CD1 LEU A 22 10.836 8.554 -4.956 1.00 0.00 C ATOM 181 CD2 LEU A 22 11.907 6.969 -3.427 1.00 0.00 C ATOM 0 H LEU A 22 7.546 8.860 -5.177 1.00 0.00 H new ATOM 0 HA LEU A 22 7.922 6.756 -4.602 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.585 7.841 -2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.449 6.143 -2.694 1.00 0.00 H new ATOM 0 HG LEU A 22 10.238 6.594 -4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.723 8.414 -5.574 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.970 8.725 -5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.981 9.416 -4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.723 7.078 -4.141 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.065 7.649 -2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.880 5.943 -3.061 1.00 0.00 H new ATOM 183 N CYS A 23 6.623 5.895 -2.543 1.00 0.00 N ATOM 184 CA CYS A 23 5.584 5.525 -1.575 1.00 0.00 C ATOM 185 C CYS A 23 5.627 4.028 -1.335 1.00 0.00 C ATOM 186 O CYS A 23 5.259 3.227 -2.194 1.00 0.00 O ATOM 187 CB CYS A 23 4.215 5.959 -2.061 1.00 0.00 C ATOM 188 SG CYS A 23 2.804 5.762 -0.913 1.00 0.00 S ATOM 0 H CYS A 23 6.996 5.116 -3.085 1.00 0.00 H new ATOM 0 HA CYS A 23 5.775 6.039 -0.633 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.276 7.011 -2.340 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.989 5.401 -2.969 1.00 0.00 H new ATOM 190 N TYR A 24 6.167 3.684 -0.182 1.00 0.00 N ATOM 191 CA TYR A 24 6.333 2.263 0.191 1.00 0.00 C ATOM 192 C TYR A 24 5.022 1.458 0.071 1.00 0.00 C ATOM 193 O TYR A 24 3.931 1.838 0.571 1.00 0.00 O ATOM 194 CB TYR A 24 7.053 2.210 1.548 1.00 0.00 C ATOM 195 CG TYR A 24 6.221 1.893 2.808 1.00 0.00 C ATOM 196 CD1 TYR A 24 4.876 2.186 2.816 1.00 0.00 C ATOM 197 CD2 TYR A 24 6.655 1.088 3.765 1.00 0.00 C ATOM 198 CE1 TYR A 24 3.909 1.593 3.598 1.00 0.00 C ATOM 199 CE2 TYR A 24 5.701 0.591 4.686 1.00 0.00 C ATOM 200 CZ TYR A 24 4.351 0.784 4.556 1.00 0.00 C ATOM 201 OH TYR A 24 3.467 0.328 5.478 1.00 0.00 O ATOM 0 H TYR A 24 6.500 4.349 0.516 1.00 0.00 H new ATOM 0 HA TYR A 24 6.970 1.740 -0.523 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.843 1.463 1.475 1.00 0.00 H new ATOM 0 HB3 TYR A 24 7.538 3.173 1.704 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.545 2.960 2.140 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.698 0.820 3.841 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.856 1.774 3.442 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.057 0.029 5.537 1.00 0.00 H new ATOM 0 HH TYR A 24 3.749 0.615 6.372 1.00 0.00 H new ATOM 208 N ARG A 25 4.896 0.575 -0.835 1.00 0.00 N ATOM 209 CA ARG A 25 3.642 -0.213 -0.847 1.00 0.00 C ATOM 210 C ARG A 25 3.753 -1.496 -0.087 1.00 0.00 C ATOM 211 O ARG A 25 4.593 -2.320 -0.468 1.00 0.00 O ATOM 212 CB ARG A 25 3.070 -0.398 -2.224 1.00 0.00 C ATOM 213 CG ARG A 25 1.763 -1.161 -2.203 1.00 0.00 C ATOM 214 CD ARG A 25 1.178 -1.164 -3.585 1.00 0.00 C ATOM 215 NE ARG A 25 1.769 -2.308 -4.248 1.00 0.00 N ATOM 216 CZ ARG A 25 1.281 -3.522 -4.063 1.00 0.00 C ATOM 217 NH1 ARG A 25 0.243 -3.736 -3.252 1.00 0.00 N ATOM 218 NH2 ARG A 25 1.839 -4.523 -4.698 1.00 0.00 N ATOM 0 H ARG A 25 5.579 0.354 -1.560 1.00 0.00 H new ATOM 0 HA ARG A 25 2.914 0.392 -0.308 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.912 0.578 -2.684 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.790 -0.931 -2.846 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.929 -2.183 -1.862 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.069 -0.699 -1.501 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.092 -1.246 -3.552 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.412 -0.239 -4.113 1.00 0.00 H new ATOM 0 HE ARG A 25 2.571 -2.175 -4.864 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.190 -2.954 -2.760 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.118 -4.681 -3.124 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.631 -4.355 -5.318 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.481 -5.470 -4.572 1.00 0.00 H new ATOM 225 N LYS A 26 3.114 -1.612 1.046 1.00 0.00 N ATOM 226 CA LYS A 26 3.185 -2.888 1.779 1.00 0.00 C ATOM 227 C LYS A 26 1.786 -3.353 2.051 1.00 0.00 C ATOM 228 O LYS A 26 1.003 -2.508 2.253 1.00 0.00 O ATOM 229 CB LYS A 26 3.900 -2.697 3.103 1.00 0.00 C ATOM 230 CG LYS A 26 5.383 -2.885 2.859 1.00 0.00 C ATOM 231 CD LYS A 26 6.001 -1.745 2.066 1.00 0.00 C ATOM 232 CE LYS A 26 7.455 -2.045 1.806 1.00 0.00 C ATOM 233 NZ LYS A 26 8.032 -1.074 0.907 1.00 0.00 N ATOM 0 H LYS A 26 2.554 -0.881 1.485 1.00 0.00 H new ATOM 0 HA LYS A 26 3.731 -3.619 1.182 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.702 -1.703 3.504 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.540 -3.416 3.839 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.895 -2.974 3.817 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.542 -3.821 2.324 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.471 -1.615 1.122 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.904 -0.810 2.617 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.004 -2.045 2.748 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.553 -3.043 1.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.384 -1.556 0.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.308 -0.378 0.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.820 -0.588 1.380 1.00 0.00 H new ATOM 238 N MET A 27 1.642 -4.682 2.350 1.00 0.00 N ATOM 239 CA MET A 27 0.370 -5.361 2.598 1.00 0.00 C ATOM 240 C MET A 27 -0.456 -5.609 1.348 1.00 0.00 C ATOM 241 O MET A 27 -0.015 -5.143 0.276 1.00 0.00 O ATOM 242 CB MET A 27 -0.523 -4.612 3.556 1.00 0.00 C ATOM 243 CG MET A 27 0.236 -4.503 4.840 1.00 0.00 C ATOM 244 SD MET A 27 0.124 -5.944 5.922 1.00 0.00 S ATOM 245 CE MET A 27 -1.633 -5.847 6.172 1.00 0.00 C ATOM 0 H MET A 27 2.443 -5.310 2.422 1.00 0.00 H new ATOM 0 HA MET A 27 0.688 -6.312 3.025 1.00 0.00 H new ATOM 0 HB2 MET A 27 -0.770 -3.625 3.166 1.00 0.00 H new ATOM 0 HB3 MET A 27 -1.464 -5.141 3.705 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.286 -4.322 4.609 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.125 -3.631 5.384 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.889 -6.293 7.133 1.00 0.00 H new ATOM 0 HE2 MET A 27 -1.945 -4.803 6.162 1.00 0.00 H new ATOM 0 HE3 MET A 27 -2.144 -6.386 5.374 1.00 0.00 H new ATOM 247 N TRP A 28 -1.580 -6.252 1.516 1.00 0.00 N ATOM 248 CA TRP A 28 -2.451 -6.784 0.416 1.00 0.00 C ATOM 249 C TRP A 28 -3.294 -7.946 0.839 1.00 0.00 C ATOM 250 O TRP A 28 -4.559 -7.919 0.674 1.00 0.00 O ATOM 251 CB TRP A 28 -1.583 -7.191 -0.784 1.00 0.00 C ATOM 252 CG TRP A 28 -2.352 -7.658 -1.997 1.00 0.00 C ATOM 253 CD1 TRP A 28 -2.974 -6.900 -2.931 1.00 0.00 C ATOM 254 CD2 TRP A 28 -2.523 -8.938 -2.311 1.00 0.00 C ATOM 255 NE1 TRP A 28 -3.498 -7.636 -3.777 1.00 0.00 N ATOM 256 CE2 TRP A 28 -3.324 -9.017 -3.524 1.00 0.00 C ATOM 257 CE3 TRP A 28 -2.141 -10.167 -1.770 1.00 0.00 C ATOM 258 CZ2 TRP A 28 -3.669 -10.084 -4.029 1.00 0.00 C ATOM 259 CZ3 TRP A 28 -2.499 -11.326 -2.314 1.00 0.00 C ATOM 260 CH2 TRP A 28 -3.294 -11.358 -3.503 1.00 0.00 C ATOM 0 H TRP A 28 -1.959 -6.445 2.443 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.133 -5.979 0.141 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.963 -6.341 -1.070 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.908 -7.987 -0.472 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.008 -5.821 -2.937 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.009 -7.279 -4.584 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.533 -10.177 -0.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.286 -10.056 -4.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -2.187 -12.252 -1.854 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.591 -12.284 -3.972 1.00 0.00 H new ATOM 268 N CYS A 29 -2.729 -8.845 1.549 1.00 0.00 N ATOM 269 CA CYS A 29 -3.346 -10.068 2.008 1.00 0.00 C ATOM 270 C CYS A 29 -3.341 -10.025 3.535 1.00 0.00 C ATOM 271 O CYS A 29 -2.785 -10.893 4.126 1.00 0.00 O ATOM 272 CB CYS A 29 -2.558 -11.295 1.505 1.00 0.00 C ATOM 273 SG CYS A 29 -3.531 -12.761 1.932 1.00 0.00 S ATOM 0 H CYS A 29 -1.760 -8.759 1.855 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.362 -10.154 1.624 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.400 -11.237 0.428 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.573 -11.337 1.969 1.00 0.00 H new ATOM 275 N ASP A 30 -3.969 -8.939 4.096 1.00 0.00 N ATOM 276 CA ASP A 30 -4.073 -8.734 5.556 1.00 0.00 C ATOM 277 C ASP A 30 -3.025 -9.483 6.387 1.00 0.00 C ATOM 278 O ASP A 30 -1.949 -9.039 6.617 1.00 0.00 O ATOM 279 CB ASP A 30 -5.482 -9.138 5.999 1.00 0.00 C ATOM 280 CG ASP A 30 -6.452 -8.096 5.537 1.00 0.00 C ATOM 281 OD1 ASP A 30 -6.205 -7.008 6.036 1.00 0.00 O ATOM 282 OD2 ASP A 30 -7.279 -8.398 4.655 1.00 0.00 O ATOM 0 H ASP A 30 -4.406 -8.200 3.545 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.876 -7.678 5.741 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.745 -10.110 5.581 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.523 -9.236 7.084 1.00 0.00 H new ATOM 284 N ALA A 31 -3.418 -10.777 6.633 1.00 0.00 N ATOM 285 CA ALA A 31 -2.549 -11.790 7.190 1.00 0.00 C ATOM 286 C ALA A 31 -3.267 -13.158 7.245 1.00 0.00 C ATOM 287 O ALA A 31 -2.731 -14.135 7.724 1.00 0.00 O ATOM 288 CB ALA A 31 -2.224 -11.379 8.620 1.00 0.00 C ATOM 0 H ALA A 31 -4.360 -11.115 6.437 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.656 -11.880 6.572 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.568 -12.123 9.072 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.725 -10.410 8.616 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.146 -11.309 9.197 1.00 0.00 H new ATOM 290 N PHE A 32 -4.529 -13.133 6.822 1.00 0.00 N ATOM 291 CA PHE A 32 -5.368 -14.330 6.873 1.00 0.00 C ATOM 292 C PHE A 32 -5.591 -14.940 5.510 1.00 0.00 C ATOM 293 O PHE A 32 -6.201 -16.000 5.458 1.00 0.00 O ATOM 294 CB PHE A 32 -6.699 -13.996 7.545 1.00 0.00 C ATOM 295 CG PHE A 32 -6.452 -13.805 9.037 1.00 0.00 C ATOM 296 CD1 PHE A 32 -6.283 -14.921 9.846 1.00 0.00 C ATOM 297 CD2 PHE A 32 -6.387 -12.526 9.567 1.00 0.00 C ATOM 298 CE1 PHE A 32 -6.045 -14.753 11.204 1.00 0.00 C ATOM 299 CE2 PHE A 32 -6.155 -12.361 10.927 1.00 0.00 C ATOM 300 CZ PHE A 32 -5.984 -13.473 11.741 1.00 0.00 C ATOM 0 H PHE A 32 -4.991 -12.306 6.443 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.841 -15.080 7.463 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.125 -13.091 7.113 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.419 -14.798 7.380 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.336 -15.913 9.422 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.516 -11.665 8.928 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.908 -15.615 11.841 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.108 -11.369 11.351 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.803 -13.342 12.798 1.00 0.00 H new ATOM 307 N CYS A 33 -5.207 -14.195 4.443 1.00 0.00 N ATOM 308 CA CYS A 33 -5.385 -14.635 3.057 1.00 0.00 C ATOM 309 C CYS A 33 -6.716 -15.382 2.855 1.00 0.00 C ATOM 310 O CYS A 33 -6.795 -16.428 2.296 1.00 0.00 O ATOM 311 CB CYS A 33 -4.178 -15.483 2.574 1.00 0.00 C ATOM 312 SG CYS A 33 -2.624 -14.547 2.294 1.00 0.00 S ATOM 0 H CYS A 33 -4.768 -13.278 4.530 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.427 -13.738 2.439 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.985 -16.263 3.310 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.454 -15.982 1.645 1.00 0.00 H new ATOM 314 N SER A 34 -7.728 -14.833 3.594 1.00 0.00 N ATOM 315 CA SER A 34 -9.017 -15.517 3.680 1.00 0.00 C ATOM 316 C SER A 34 -9.909 -15.057 2.542 1.00 0.00 C ATOM 317 O SER A 34 -11.124 -15.017 2.723 1.00 0.00 O ATOM 318 CB SER A 34 -9.704 -15.211 5.024 1.00 0.00 C ATOM 319 OG SER A 34 -9.045 -15.899 6.080 1.00 0.00 O ATOM 0 H SER A 34 -7.664 -13.956 4.111 1.00 0.00 H new ATOM 0 HA SER A 34 -8.848 -16.592 3.609 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.687 -14.138 5.213 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.751 -15.511 4.982 1.00 0.00 H new ATOM 0 HG SER A 34 -8.106 -16.045 5.840 1.00 0.00 H new ATOM 322 N SER A 35 -9.267 -14.726 1.415 1.00 0.00 N ATOM 323 CA SER A 35 -9.883 -14.188 0.184 1.00 0.00 C ATOM 324 C SER A 35 -9.795 -12.666 0.240 1.00 0.00 C ATOM 325 O SER A 35 -9.041 -12.143 1.048 1.00 0.00 O ATOM 326 CB SER A 35 -11.337 -14.621 -0.034 1.00 0.00 C ATOM 327 OG SER A 35 -11.344 -16.040 -0.103 1.00 0.00 O ATOM 0 H SER A 35 -8.256 -14.829 1.327 1.00 0.00 H new ATOM 0 HA SER A 35 -9.331 -14.597 -0.663 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.969 -14.272 0.782 1.00 0.00 H new ATOM 0 HB3 SER A 35 -11.734 -14.189 -0.952 1.00 0.00 H new ATOM 0 HG SER A 35 -12.261 -16.356 -0.241 1.00 0.00 H new ATOM 330 N ARG A 36 -10.548 -12.012 -0.651 1.00 0.00 N ATOM 331 CA ARG A 36 -10.593 -10.535 -0.722 1.00 0.00 C ATOM 332 C ARG A 36 -9.153 -9.941 -0.846 1.00 0.00 C ATOM 333 O ARG A 36 -8.206 -10.532 -1.369 1.00 0.00 O ATOM 334 CB ARG A 36 -11.470 -9.949 0.393 1.00 0.00 C ATOM 335 CG ARG A 36 -10.736 -10.050 1.728 1.00 0.00 C ATOM 336 CD ARG A 36 -11.137 -8.993 2.703 1.00 0.00 C ATOM 337 NE ARG A 36 -10.177 -9.016 3.814 1.00 0.00 N ATOM 338 CZ ARG A 36 -10.491 -8.516 4.996 1.00 0.00 C ATOM 339 NH1 ARG A 36 -11.691 -7.986 5.203 1.00 0.00 N ATOM 340 NH2 ARG A 36 -9.634 -8.530 5.992 1.00 0.00 N ATOM 0 H ARG A 36 -11.139 -12.479 -1.339 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.095 -10.223 -1.638 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.706 -8.908 0.174 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.417 -10.487 0.445 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.926 -11.030 2.166 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.663 -9.983 1.551 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.142 -8.014 2.224 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.148 -9.175 3.068 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.253 -9.424 3.671 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.376 -7.963 4.447 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.928 -7.602 6.118 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.706 -8.932 5.861 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.897 -8.139 6.896 1.00 0.00 H new ATOM 347 N GLY A 37 -8.989 -8.788 -0.227 1.00 0.00 N ATOM 348 CA GLY A 37 -7.689 -8.116 -0.156 1.00 0.00 C ATOM 349 C GLY A 37 -7.887 -6.648 -0.477 1.00 0.00 C ATOM 350 O GLY A 37 -7.903 -6.235 -1.630 1.00 0.00 O ATOM 0 H GLY A 37 -9.744 -8.286 0.241 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.257 -8.231 0.838 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.991 -8.567 -0.861 1.00 0.00 H new ATOM 352 N LYS A 38 -8.192 -5.928 0.595 1.00 0.00 N ATOM 353 CA LYS A 38 -8.337 -4.467 0.516 1.00 0.00 C ATOM 354 C LYS A 38 -7.782 -3.786 1.781 1.00 0.00 C ATOM 355 O LYS A 38 -8.128 -2.656 2.132 1.00 0.00 O ATOM 356 CB LYS A 38 -9.821 -4.170 0.320 1.00 0.00 C ATOM 357 CG LYS A 38 -10.005 -2.727 -0.121 1.00 0.00 C ATOM 358 CD LYS A 38 -11.476 -2.368 -0.044 1.00 0.00 C ATOM 359 CE LYS A 38 -11.578 -0.873 -0.288 1.00 0.00 C ATOM 360 NZ LYS A 38 -12.964 -0.459 -0.325 1.00 0.00 N ATOM 0 H LYS A 38 -8.344 -6.320 1.524 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.762 -4.068 -0.320 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.240 -4.844 -0.427 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.362 -4.347 1.249 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.422 -2.062 0.516 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.639 -2.595 -1.139 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.048 -2.921 -0.789 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.887 -2.629 0.931 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.052 -0.333 0.500 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.091 -0.618 -1.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.113 0.182 -1.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.573 -1.295 -0.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.203 0.034 0.559 1.00 0.00 H new ATOM 365 N VAL A 39 -6.925 -4.503 2.479 1.00 0.00 N ATOM 366 CA VAL A 39 -6.270 -3.951 3.681 1.00 0.00 C ATOM 367 C VAL A 39 -4.765 -4.024 3.498 1.00 0.00 C ATOM 368 O VAL A 39 -4.068 -4.959 3.972 1.00 0.00 O ATOM 369 CB VAL A 39 -6.761 -4.647 4.950 1.00 0.00 C ATOM 370 CG1 VAL A 39 -6.001 -4.168 6.199 1.00 0.00 C ATOM 371 CG2 VAL A 39 -8.267 -4.524 5.193 1.00 0.00 C ATOM 0 H VAL A 39 -6.658 -5.461 2.250 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.541 -2.903 3.806 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.551 -5.702 4.775 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.382 -4.688 7.078 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.939 -4.382 6.083 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.144 -3.094 6.322 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.531 -5.045 6.113 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.536 -3.472 5.282 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.808 -4.967 4.357 1.00 0.00 H new ATOM 373 N VAL A 40 -4.292 -3.026 2.813 1.00 0.00 N ATOM 374 CA VAL A 40 -2.864 -2.846 2.560 1.00 0.00 C ATOM 375 C VAL A 40 -2.321 -1.777 3.510 1.00 0.00 C ATOM 376 O VAL A 40 -3.035 -1.306 4.443 1.00 0.00 O ATOM 377 CB VAL A 40 -2.641 -2.595 1.041 1.00 0.00 C ATOM 378 CG1 VAL A 40 -1.206 -2.603 0.556 1.00 0.00 C ATOM 379 CG2 VAL A 40 -3.132 -3.723 0.166 1.00 0.00 C ATOM 0 H VAL A 40 -4.878 -2.299 2.404 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.282 -3.741 2.781 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.145 -1.632 0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.184 -2.417 -0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.644 -1.824 1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.757 -3.574 0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.944 -3.480 -0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.605 -4.641 0.426 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.202 -3.863 0.320 1.00 0.00 H new ATOM 381 N GLU A 41 -1.075 -1.457 3.400 1.00 0.00 N ATOM 382 CA GLU A 41 -0.324 -0.439 4.140 1.00 0.00 C ATOM 383 C GLU A 41 0.216 0.691 3.303 1.00 0.00 C ATOM 384 O GLU A 41 -0.151 1.790 3.578 1.00 0.00 O ATOM 385 CB GLU A 41 0.908 -0.954 4.838 1.00 0.00 C ATOM 386 CG GLU A 41 0.534 -1.755 6.054 1.00 0.00 C ATOM 387 CD GLU A 41 -0.239 -1.043 7.125 1.00 0.00 C ATOM 388 OE1 GLU A 41 -1.477 -0.917 6.995 1.00 0.00 O ATOM 389 OE2 GLU A 41 0.494 -0.725 8.076 1.00 0.00 O ATOM 0 H GLU A 41 -0.477 -1.937 2.728 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.096 -0.106 4.834 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.488 -1.573 4.153 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.544 -0.118 5.129 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.052 -2.614 5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.450 -2.144 6.499 1.00 0.00 H new ATOM 391 N LEU A 42 0.940 0.294 2.200 1.00 0.00 N ATOM 392 CA LEU A 42 1.333 1.224 1.157 1.00 0.00 C ATOM 393 C LEU A 42 1.068 2.703 1.407 1.00 0.00 C ATOM 394 O LEU A 42 0.113 3.261 1.027 1.00 0.00 O ATOM 395 CB LEU A 42 0.625 0.747 -0.096 1.00 0.00 C ATOM 396 CG LEU A 42 -0.840 0.629 -0.359 1.00 0.00 C ATOM 397 CD1 LEU A 42 -1.602 0.446 0.900 1.00 0.00 C ATOM 398 CD2 LEU A 42 -1.238 1.937 -0.884 1.00 0.00 C ATOM 0 H LEU A 42 1.246 -0.666 2.040 1.00 0.00 H new ATOM 0 HA LEU A 42 2.421 1.205 1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.001 1.391 -0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.023 -0.251 -0.279 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.034 -0.214 -1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.665 0.364 0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.266 -0.463 1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.436 1.302 1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.306 1.932 -1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.023 2.707 -0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.681 2.147 -1.797 1.00 0.00 H new ATOM 400 N GLY A 43 1.887 3.203 2.314 1.00 0.00 N ATOM 401 CA GLY A 43 1.652 4.379 3.137 1.00 0.00 C ATOM 402 C GLY A 43 2.731 5.414 2.967 1.00 0.00 C ATOM 403 O GLY A 43 2.654 6.474 3.558 1.00 0.00 O ATOM 0 H GLY A 43 2.791 2.773 2.509 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.688 4.816 2.878 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.596 4.083 4.184 1.00 0.00 H new ATOM 405 N CYS A 44 3.818 4.842 2.457 1.00 0.00 N ATOM 406 CA CYS A 44 5.198 5.262 2.622 1.00 0.00 C ATOM 407 C CYS A 44 5.429 5.688 4.054 1.00 0.00 C ATOM 408 O CYS A 44 4.585 5.579 4.936 1.00 0.00 O ATOM 409 CB CYS A 44 5.524 6.209 1.505 1.00 0.00 C ATOM 410 SG CYS A 44 6.668 7.611 1.565 1.00 0.00 S ATOM 0 H CYS A 44 3.746 4.009 1.873 1.00 0.00 H new ATOM 0 HA CYS A 44 5.936 4.468 2.509 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.878 5.581 0.687 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.568 6.629 1.193 1.00 0.00 H new ATOM 412 N ALA A 45 6.693 5.897 4.293 1.00 0.00 N ATOM 413 CA ALA A 45 7.114 6.160 5.671 1.00 0.00 C ATOM 414 C ALA A 45 8.499 6.786 5.671 1.00 0.00 C ATOM 415 O ALA A 45 9.307 6.387 6.507 1.00 0.00 O ATOM 416 CB ALA A 45 7.065 4.841 6.468 1.00 0.00 C ATOM 0 H ALA A 45 7.436 5.895 3.594 1.00 0.00 H new ATOM 0 HA ALA A 45 6.441 6.869 6.153 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.377 5.025 7.496 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.048 4.450 6.462 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.736 4.114 6.010 1.00 0.00 H new ATOM 418 N ALA A 46 8.780 7.627 4.667 1.00 0.00 N ATOM 419 CA ALA A 46 10.039 8.388 4.466 1.00 0.00 C ATOM 420 C ALA A 46 10.550 8.150 3.041 1.00 0.00 C ATOM 421 O ALA A 46 10.121 8.838 2.113 1.00 0.00 O ATOM 422 CB ALA A 46 11.191 8.148 5.474 1.00 0.00 C ATOM 0 H ALA A 46 8.103 7.811 3.927 1.00 0.00 H new ATOM 0 HA ALA A 46 9.751 9.423 4.647 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.045 8.769 5.205 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.856 8.408 6.478 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.483 7.098 5.449 1.00 0.00 H new ATOM 424 N THR A 47 11.387 7.139 2.873 1.00 0.00 N ATOM 425 CA THR A 47 11.989 6.792 1.569 1.00 0.00 C ATOM 426 C THR A 47 11.845 5.289 1.315 1.00 0.00 C ATOM 427 O THR A 47 12.838 4.634 1.016 1.00 0.00 O ATOM 428 CB THR A 47 13.459 7.271 1.519 1.00 0.00 C ATOM 429 OG1 THR A 47 13.456 8.694 1.597 1.00 0.00 O ATOM 430 CG2 THR A 47 14.263 6.898 0.263 1.00 0.00 C ATOM 0 H THR A 47 11.678 6.525 3.634 1.00 0.00 H new ATOM 0 HA THR A 47 11.462 7.306 0.765 1.00 0.00 H new ATOM 0 HB THR A 47 13.948 6.763 2.350 1.00 0.00 H new ATOM 0 HG1 THR A 47 14.378 9.025 1.569 1.00 0.00 H new ATOM 0 HG21 THR A 47 15.276 7.291 0.350 1.00 0.00 H new ATOM 0 HG22 THR A 47 14.302 5.813 0.165 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.782 7.325 -0.617 1.00 0.00 H new ATOM 433 N CYS A 48 10.689 4.711 1.594 1.00 0.00 N ATOM 434 CA CYS A 48 10.464 3.256 1.349 1.00 0.00 C ATOM 435 C CYS A 48 11.688 2.468 1.891 1.00 0.00 C ATOM 436 O CYS A 48 12.607 2.145 1.157 1.00 0.00 O ATOM 437 CB CYS A 48 10.294 2.898 -0.137 1.00 0.00 C ATOM 438 SG CYS A 48 9.581 1.208 -0.379 1.00 0.00 S ATOM 0 H CYS A 48 9.886 5.202 1.987 1.00 0.00 H new ATOM 0 HA CYS A 48 9.536 2.993 1.857 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.646 3.634 -0.613 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.262 2.956 -0.635 1.00 0.00 H new ATOM 440 N PRO A 49 11.707 2.266 3.211 1.00 0.00 N ATOM 441 CA PRO A 49 12.841 1.564 3.848 1.00 0.00 C ATOM 442 C PRO A 49 12.918 0.100 3.415 1.00 0.00 C ATOM 443 O PRO A 49 13.687 -0.664 4.013 1.00 0.00 O ATOM 444 CB PRO A 49 12.571 1.739 5.343 1.00 0.00 C ATOM 445 CG PRO A 49 11.047 1.812 5.447 1.00 0.00 C ATOM 446 CD PRO A 49 10.614 2.516 4.162 1.00 0.00 C ATOM 0 HA PRO A 49 13.813 1.965 3.561 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.969 0.904 5.919 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.040 2.645 5.728 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.606 0.818 5.524 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.735 2.369 6.330 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.669 2.118 3.792 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.468 3.584 4.326 1.00 0.00 H new ATOM 447 N SER A 50 12.008 -0.315 2.532 1.00 0.00 N ATOM 448 CA SER A 50 11.881 -1.673 1.975 1.00 0.00 C ATOM 449 C SER A 50 11.106 -2.553 2.938 1.00 0.00 C ATOM 450 O SER A 50 10.142 -3.173 2.515 1.00 0.00 O ATOM 451 CB SER A 50 13.208 -2.390 1.698 1.00 0.00 C ATOM 452 OG SER A 50 13.932 -1.658 0.715 1.00 0.00 O ATOM 0 H SER A 50 11.299 0.318 2.163 1.00 0.00 H new ATOM 0 HA SER A 50 11.375 -1.529 1.020 1.00 0.00 H new ATOM 0 HB2 SER A 50 13.792 -2.469 2.615 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.022 -3.406 1.350 1.00 0.00 H new ATOM 0 HG SER A 50 14.783 -2.108 0.533 1.00 0.00 H new ATOM 455 N LYS A 51 11.437 -2.429 4.230 1.00 0.00 N ATOM 456 CA LYS A 51 10.834 -3.205 5.322 1.00 0.00 C ATOM 457 C LYS A 51 11.235 -4.675 5.190 1.00 0.00 C ATOM 458 O LYS A 51 12.418 -4.986 5.060 1.00 0.00 O ATOM 459 CB LYS A 51 9.318 -3.053 5.297 1.00 0.00 C ATOM 460 CG LYS A 51 8.909 -1.609 5.381 1.00 0.00 C ATOM 461 CD LYS A 51 7.425 -1.726 5.204 1.00 0.00 C ATOM 462 CE LYS A 51 6.622 -2.209 6.407 1.00 0.00 C ATOM 463 NZ LYS A 51 5.194 -1.923 6.202 1.00 0.00 N ATOM 0 H LYS A 51 12.147 -1.772 4.552 1.00 0.00 H new ATOM 0 HA LYS A 51 11.198 -2.829 6.278 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.922 -3.492 4.381 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.882 -3.605 6.130 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.177 -1.159 6.337 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.371 -1.003 4.602 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.041 -0.749 4.910 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.235 -2.407 4.374 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.771 -3.279 6.549 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.975 -1.715 7.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.808 -1.457 7.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.080 -1.297 5.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.682 -2.813 6.033 1.00 0.00 H new ATOM 468 N LYS A 52 10.258 -5.548 5.343 1.00 0.00 N ATOM 469 CA LYS A 52 10.444 -6.988 5.297 1.00 0.00 C ATOM 470 C LYS A 52 9.601 -7.609 4.170 1.00 0.00 C ATOM 471 O LYS A 52 8.831 -6.921 3.533 1.00 0.00 O ATOM 472 CB LYS A 52 10.043 -7.468 6.685 1.00 0.00 C ATOM 473 CG LYS A 52 11.176 -7.168 7.657 1.00 0.00 C ATOM 474 CD LYS A 52 10.868 -7.866 8.967 1.00 0.00 C ATOM 475 CE LYS A 52 11.856 -7.385 10.019 1.00 0.00 C ATOM 476 NZ LYS A 52 11.601 -8.092 11.275 1.00 0.00 N ATOM 0 H LYS A 52 9.290 -5.271 5.507 1.00 0.00 H new ATOM 0 HA LYS A 52 11.467 -7.285 5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.129 -6.970 7.007 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.834 -8.538 6.668 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.126 -7.517 7.254 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.271 -6.093 7.811 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.847 -7.649 9.280 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.941 -8.947 8.846 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.878 -7.567 9.686 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.755 -6.310 10.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.274 -7.767 11.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.630 -7.897 11.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.718 -9.115 11.128 1.00 0.00 H new ATOM 481 N PRO A 53 9.799 -8.931 3.961 1.00 0.00 N ATOM 482 CA PRO A 53 9.037 -9.678 2.958 1.00 0.00 C ATOM 483 C PRO A 53 7.588 -9.799 3.415 1.00 0.00 C ATOM 484 O PRO A 53 6.753 -9.022 2.971 1.00 0.00 O ATOM 485 CB PRO A 53 9.798 -11.003 2.835 1.00 0.00 C ATOM 486 CG PRO A 53 10.401 -11.230 4.220 1.00 0.00 C ATOM 487 CD PRO A 53 10.764 -9.812 4.640 1.00 0.00 C ATOM 0 HA PRO A 53 8.965 -9.208 1.977 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.132 -11.818 2.554 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.572 -10.946 2.070 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.689 -11.689 4.905 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.274 -11.882 4.184 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.703 -9.697 5.722 1.00 0.00 H new ATOM 0 HD3 PRO A 53 11.786 -9.568 4.351 1.00 0.00 H new ATOM 488 N TYR A 54 7.364 -10.663 4.432 1.00 0.00 N ATOM 489 CA TYR A 54 6.047 -11.016 4.976 1.00 0.00 C ATOM 490 C TYR A 54 4.993 -11.054 3.862 1.00 0.00 C ATOM 491 O TYR A 54 5.394 -11.179 2.694 1.00 0.00 O ATOM 492 CB TYR A 54 5.724 -10.008 6.098 1.00 0.00 C ATOM 493 CG TYR A 54 4.369 -10.269 6.753 1.00 0.00 C ATOM 494 CD1 TYR A 54 4.180 -11.405 7.512 1.00 0.00 C ATOM 495 CD2 TYR A 54 3.282 -9.442 6.432 1.00 0.00 C ATOM 496 CE1 TYR A 54 2.918 -11.742 7.972 1.00 0.00 C ATOM 497 CE2 TYR A 54 2.021 -9.784 6.885 1.00 0.00 C ATOM 498 CZ TYR A 54 1.847 -10.926 7.639 1.00 0.00 C ATOM 499 OH TYR A 54 0.628 -11.212 8.116 1.00 0.00 O ATOM 0 H TYR A 54 8.126 -11.146 4.908 1.00 0.00 H new ATOM 0 HA TYR A 54 6.046 -12.019 5.402 1.00 0.00 H new ATOM 0 HB2 TYR A 54 6.505 -10.053 6.857 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.736 -8.998 5.688 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.023 -12.037 7.750 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.428 -8.551 5.840 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.771 -12.623 8.578 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.173 -9.158 6.649 1.00 0.00 H new ATOM 0 HH TYR A 54 0.436 -10.640 8.888 1.00 0.00 H new ATOM 506 N GLU A 55 3.726 -10.967 4.185 1.00 0.00 N ATOM 507 CA GLU A 55 2.581 -10.875 3.266 1.00 0.00 C ATOM 508 C GLU A 55 3.009 -10.297 1.902 1.00 0.00 C ATOM 509 O GLU A 55 3.533 -11.024 1.058 1.00 0.00 O ATOM 510 CB GLU A 55 1.533 -10.000 3.953 1.00 0.00 C ATOM 511 CG GLU A 55 0.122 -10.252 3.494 1.00 0.00 C ATOM 512 CD GLU A 55 0.025 -9.643 2.124 1.00 0.00 C ATOM 513 OE1 GLU A 55 -0.144 -8.411 2.100 1.00 0.00 O ATOM 514 OE2 GLU A 55 0.192 -10.411 1.168 1.00 0.00 O ATOM 0 H GLU A 55 3.430 -10.957 5.161 1.00 0.00 H new ATOM 0 HA GLU A 55 2.168 -11.861 3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.588 -10.164 5.029 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.779 -8.953 3.777 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.095 -11.320 3.464 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.598 -9.799 4.176 1.00 0.00 H new ATOM 516 N GLU A 56 2.710 -9.043 1.662 1.00 0.00 N ATOM 517 CA GLU A 56 3.065 -8.369 0.412 1.00 0.00 C ATOM 518 C GLU A 56 3.778 -7.091 0.744 1.00 0.00 C ATOM 519 O GLU A 56 3.483 -6.468 1.780 1.00 0.00 O ATOM 520 CB GLU A 56 1.841 -8.011 -0.422 1.00 0.00 C ATOM 521 CG GLU A 56 1.211 -9.230 -1.081 1.00 0.00 C ATOM 522 CD GLU A 56 2.086 -9.979 -2.064 1.00 0.00 C ATOM 523 OE1 GLU A 56 2.939 -10.782 -1.628 1.00 0.00 O ATOM 524 OE2 GLU A 56 1.854 -9.689 -3.251 1.00 0.00 O ATOM 0 H GLU A 56 2.211 -8.449 2.324 1.00 0.00 H new ATOM 0 HA GLU A 56 3.688 -9.053 -0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.102 -7.522 0.213 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.126 -7.292 -1.191 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.903 -9.923 -0.298 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.307 -8.912 -1.599 1.00 0.00 H new ATOM 526 N VAL A 57 4.584 -6.680 -0.193 1.00 0.00 N ATOM 527 CA VAL A 57 5.456 -5.499 -0.076 1.00 0.00 C ATOM 528 C VAL A 57 5.850 -5.097 -1.489 1.00 0.00 C ATOM 529 O VAL A 57 5.498 -5.772 -2.479 1.00 0.00 O ATOM 530 CB VAL A 57 6.667 -5.923 0.806 1.00 0.00 C ATOM 531 CG1 VAL A 57 7.925 -5.061 0.730 1.00 0.00 C ATOM 532 CG2 VAL A 57 6.310 -5.992 2.288 1.00 0.00 C ATOM 0 H VAL A 57 4.670 -7.155 -1.091 1.00 0.00 H new ATOM 0 HA VAL A 57 4.983 -4.637 0.394 1.00 0.00 H new ATOM 0 HB VAL A 57 6.898 -6.895 0.370 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.687 -5.470 1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.300 -5.054 -0.293 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.687 -4.042 1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.188 -6.292 2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.973 -5.012 2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.514 -6.721 2.437 1.00 0.00 H new ATOM 534 N THR A 58 6.532 -3.974 -1.596 1.00 0.00 N ATOM 535 CA THR A 58 7.111 -3.477 -2.858 1.00 0.00 C ATOM 536 C THR A 58 7.870 -2.175 -2.566 1.00 0.00 C ATOM 537 O THR A 58 8.141 -1.922 -1.458 1.00 0.00 O ATOM 538 CB THR A 58 6.007 -3.311 -3.899 1.00 0.00 C ATOM 539 OG1 THR A 58 6.455 -2.741 -5.118 1.00 0.00 O ATOM 540 CG2 THR A 58 4.985 -2.346 -3.422 1.00 0.00 C ATOM 0 H THR A 58 6.710 -3.360 -0.801 1.00 0.00 H new ATOM 0 HA THR A 58 7.824 -4.188 -3.276 1.00 0.00 H new ATOM 0 HB THR A 58 5.631 -4.322 -4.053 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.701 -2.664 -5.740 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.205 -2.239 -4.176 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.545 -2.711 -2.494 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.453 -1.378 -3.245 1.00 0.00 H new ATOM 543 N CYS A 59 7.976 -1.275 -3.555 1.00 0.00 N ATOM 544 CA CYS A 59 8.688 0.005 -3.451 1.00 0.00 C ATOM 545 C CYS A 59 8.672 0.619 -4.855 1.00 0.00 C ATOM 546 O CYS A 59 9.308 0.129 -5.777 1.00 0.00 O ATOM 547 CB CYS A 59 10.152 -0.165 -3.022 1.00 0.00 C ATOM 548 SG CYS A 59 10.514 -0.386 -1.235 1.00 0.00 S ATOM 0 H CYS A 59 7.557 -1.422 -4.473 1.00 0.00 H new ATOM 0 HA CYS A 59 8.200 0.624 -2.698 1.00 0.00 H new ATOM 0 HB2 CYS A 59 10.556 -1.027 -3.552 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.704 0.709 -3.368 1.00 0.00 H new ATOM 550 N CYS A 60 7.814 1.612 -4.997 1.00 0.00 N ATOM 551 CA CYS A 60 7.740 2.338 -6.267 1.00 0.00 C ATOM 552 C CYS A 60 8.209 3.762 -6.053 1.00 0.00 C ATOM 553 O CYS A 60 8.780 4.025 -4.980 1.00 0.00 O ATOM 554 CB CYS A 60 6.306 2.281 -6.720 1.00 0.00 C ATOM 555 SG CYS A 60 6.025 0.639 -7.490 1.00 0.00 S ATOM 0 H CYS A 60 7.171 1.934 -4.274 1.00 0.00 H new ATOM 0 HA CYS A 60 8.381 1.898 -7.032 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.633 2.427 -5.875 1.00 0.00 H new ATOM 0 HB3 CYS A 60 6.099 3.078 -7.434 1.00 0.00 H new ATOM 557 N SER A 61 7.799 4.635 -6.965 1.00 0.00 N ATOM 558 CA SER A 61 8.259 6.036 -7.038 1.00 0.00 C ATOM 559 C SER A 61 8.268 6.672 -8.422 1.00 0.00 C ATOM 560 O SER A 61 9.147 7.431 -8.823 1.00 0.00 O ATOM 561 CB SER A 61 9.703 6.091 -6.634 1.00 0.00 C ATOM 562 OG SER A 61 10.710 5.409 -7.343 1.00 0.00 O ATOM 0 H SER A 61 7.125 4.395 -7.692 1.00 0.00 H new ATOM 0 HA SER A 61 7.552 6.569 -6.403 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.985 7.144 -6.625 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.753 5.739 -5.604 1.00 0.00 H new ATOM 0 HG SER A 61 11.578 5.575 -6.920 1.00 0.00 H new ATOM 565 N THR A 62 7.239 6.331 -9.163 1.00 0.00 N ATOM 566 CA THR A 62 7.159 6.809 -10.554 1.00 0.00 C ATOM 567 C THR A 62 5.830 7.496 -10.758 1.00 0.00 C ATOM 568 O THR A 62 5.307 7.414 -11.858 1.00 0.00 O ATOM 569 CB THR A 62 7.385 5.646 -11.550 1.00 0.00 C ATOM 570 OG1 THR A 62 8.726 5.213 -11.381 1.00 0.00 O ATOM 571 CG2 THR A 62 7.238 5.929 -13.056 1.00 0.00 C ATOM 0 H THR A 62 6.463 5.746 -8.855 1.00 0.00 H new ATOM 0 HA THR A 62 7.951 7.532 -10.747 1.00 0.00 H new ATOM 0 HB THR A 62 6.594 4.937 -11.307 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.910 4.472 -11.995 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.427 5.015 -13.618 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.227 6.280 -13.263 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.955 6.693 -13.354 1.00 0.00 H new ATOM 574 N ASP A 63 5.284 8.124 -9.714 1.00 0.00 N ATOM 575 CA ASP A 63 3.978 8.782 -9.757 1.00 0.00 C ATOM 576 C ASP A 63 3.059 8.126 -8.767 1.00 0.00 C ATOM 577 O ASP A 63 2.206 8.829 -8.368 1.00 0.00 O ATOM 578 CB ASP A 63 3.194 8.711 -11.082 1.00 0.00 C ATOM 579 CG ASP A 63 2.052 9.657 -11.273 1.00 0.00 C ATOM 580 OD1 ASP A 63 2.367 10.856 -11.413 1.00 0.00 O ATOM 581 OD2 ASP A 63 0.936 9.105 -11.330 1.00 0.00 O ATOM 0 H ASP A 63 5.742 8.190 -8.805 1.00 0.00 H new ATOM 0 HA ASP A 63 4.233 9.824 -9.566 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.900 8.871 -11.897 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.809 7.697 -11.188 1.00 0.00 H new ATOM 583 N LYS A 64 3.187 6.773 -8.577 1.00 0.00 N ATOM 584 CA LYS A 64 2.309 5.968 -7.733 1.00 0.00 C ATOM 585 C LYS A 64 2.688 4.508 -7.878 1.00 0.00 C ATOM 586 O LYS A 64 3.541 4.212 -8.717 1.00 0.00 O ATOM 587 CB LYS A 64 0.888 5.936 -8.238 1.00 0.00 C ATOM 588 CG LYS A 64 0.151 7.143 -7.791 1.00 0.00 C ATOM 589 CD LYS A 64 -1.276 6.770 -8.015 1.00 0.00 C ATOM 590 CE LYS A 64 -1.789 7.674 -9.109 1.00 0.00 C ATOM 591 NZ LYS A 64 -3.199 7.961 -8.847 1.00 0.00 N ATOM 0 H LYS A 64 3.922 6.225 -9.024 1.00 0.00 H new ATOM 0 HA LYS A 64 2.399 6.397 -6.735 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.884 5.882 -9.327 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.386 5.040 -7.873 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.348 7.371 -6.744 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.433 8.024 -8.368 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.362 5.723 -8.305 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.858 6.897 -7.102 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.213 8.599 -9.138 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.674 7.196 -10.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.785 7.523 -9.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.465 7.574 -7.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.350 8.990 -8.849 1.00 0.00 H new ATOM 596 N CYS A 65 2.056 3.700 -7.031 1.00 0.00 N ATOM 597 CA CYS A 65 2.164 2.234 -7.039 1.00 0.00 C ATOM 598 C CYS A 65 1.784 1.688 -5.681 1.00 0.00 C ATOM 599 O CYS A 65 2.465 0.878 -5.051 1.00 0.00 O ATOM 600 CB CYS A 65 3.591 1.864 -7.264 1.00 0.00 C ATOM 601 SG CYS A 65 4.062 0.126 -7.374 1.00 0.00 S ATOM 0 H CYS A 65 1.438 4.050 -6.299 1.00 0.00 H new ATOM 0 HA CYS A 65 1.512 1.834 -7.815 1.00 0.00 H new ATOM 0 HB2 CYS A 65 3.910 2.346 -8.188 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.173 2.308 -6.456 1.00 0.00 H new ATOM 603 N ASN A 66 0.696 2.246 -5.224 1.00 0.00 N ATOM 604 CA ASN A 66 0.016 1.674 -4.086 1.00 0.00 C ATOM 605 C ASN A 66 -1.447 1.229 -4.382 1.00 0.00 C ATOM 606 O ASN A 66 -2.272 1.200 -3.435 1.00 0.00 O ATOM 607 CB ASN A 66 0.281 2.873 -3.230 1.00 0.00 C ATOM 608 CG ASN A 66 1.610 3.050 -2.630 1.00 0.00 C ATOM 609 OD1 ASN A 66 2.272 3.978 -2.900 1.00 0.00 O ATOM 610 ND2 ASN A 66 2.186 2.132 -2.031 1.00 0.00 N ATOM 0 H ASN A 66 0.264 3.084 -5.613 1.00 0.00 H new ATOM 0 HA ASN A 66 0.321 0.718 -3.660 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.073 3.757 -3.832 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.446 2.863 -2.418 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.177 2.214 -1.804 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.670 1.294 -1.765 1.00 0.00 H new ATOM 614 N PRO A 67 -1.797 0.955 -5.628 1.00 0.00 N ATOM 615 CA PRO A 67 -3.150 0.596 -6.091 1.00 0.00 C ATOM 616 C PRO A 67 -3.364 -0.873 -5.757 1.00 0.00 C ATOM 617 O PRO A 67 -2.680 -1.413 -4.880 1.00 0.00 O ATOM 618 CB PRO A 67 -3.131 0.822 -7.599 1.00 0.00 C ATOM 619 CG PRO A 67 -1.743 0.357 -8.014 1.00 0.00 C ATOM 620 CD PRO A 67 -0.914 0.718 -6.806 1.00 0.00 C ATOM 0 HA PRO A 67 -3.949 1.177 -5.630 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.912 0.250 -8.100 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.294 1.870 -7.849 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.717 -0.713 -8.221 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.395 0.865 -8.914 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.210 -0.084 -6.586 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.325 1.611 -7.014 1.00 0.00 H new ATOM 621 N HIS A 68 -4.586 -1.289 -6.096 1.00 0.00 N ATOM 622 CA HIS A 68 -5.123 -2.564 -5.625 1.00 0.00 C ATOM 623 C HIS A 68 -6.498 -2.829 -6.252 1.00 0.00 C ATOM 624 O HIS A 68 -7.282 -1.912 -6.401 1.00 0.00 O ATOM 625 CB HIS A 68 -5.221 -2.703 -4.085 1.00 0.00 C ATOM 626 CG HIS A 68 -5.242 -1.445 -3.214 1.00 0.00 C ATOM 627 ND1 HIS A 68 -5.760 -1.391 -2.002 1.00 0.00 N ATOM 628 CD2 HIS A 68 -5.010 -0.171 -3.564 1.00 0.00 C ATOM 629 CE1 HIS A 68 -5.819 -0.125 -1.667 1.00 0.00 C ATOM 630 NE2 HIS A 68 -5.422 0.667 -2.676 1.00 0.00 N ATOM 0 H HIS A 68 -5.221 -0.761 -6.695 1.00 0.00 H new ATOM 0 HA HIS A 68 -4.398 -3.311 -5.947 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -6.127 -3.267 -3.865 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.379 -3.313 -3.758 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -6.058 -2.184 -1.434 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.531 0.120 -4.487 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.145 0.235 -0.702 1.00 0.00 H new ATOM 633 N PRO A 69 -6.690 -4.102 -6.646 1.00 0.00 N ATOM 634 CA PRO A 69 -7.947 -4.536 -7.279 1.00 0.00 C ATOM 635 C PRO A 69 -9.059 -4.583 -6.231 1.00 0.00 C ATOM 636 O PRO A 69 -8.869 -4.108 -5.117 1.00 0.00 O ATOM 637 CB PRO A 69 -7.583 -5.908 -7.855 1.00 0.00 C ATOM 638 CG PRO A 69 -6.527 -6.463 -6.901 1.00 0.00 C ATOM 639 CD PRO A 69 -5.749 -5.222 -6.475 1.00 0.00 C ATOM 0 HA PRO A 69 -8.329 -3.873 -8.055 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -8.455 -6.561 -7.904 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -7.193 -5.821 -8.869 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -6.981 -6.965 -6.047 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -5.883 -7.191 -7.394 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.415 -5.302 -5.441 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.858 -5.086 -7.088 1.00 0.00 H new ATOM 640 N LYS A 70 -10.188 -5.204 -6.601 1.00 0.00 N ATOM 641 CA LYS A 70 -11.343 -5.400 -5.707 1.00 0.00 C ATOM 642 C LYS A 70 -11.849 -4.048 -5.209 1.00 0.00 C ATOM 643 O LYS A 70 -12.530 -3.349 -5.951 1.00 0.00 O ATOM 644 CB LYS A 70 -11.003 -6.319 -4.526 1.00 0.00 C ATOM 645 CG LYS A 70 -10.718 -7.720 -5.015 1.00 0.00 C ATOM 646 CD LYS A 70 -10.405 -8.604 -3.827 1.00 0.00 C ATOM 647 CE LYS A 70 -10.139 -9.990 -4.402 1.00 0.00 C ATOM 648 NZ LYS A 70 -9.906 -10.918 -3.316 1.00 0.00 N ATOM 0 H LYS A 70 -10.328 -5.588 -7.535 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.131 -5.890 -6.279 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.136 -5.930 -3.992 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.832 -6.335 -3.819 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.578 -8.111 -5.559 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.878 -7.712 -5.710 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.537 -8.234 -3.281 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.238 -8.625 -3.124 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.989 -10.318 -5.001 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.274 -9.962 -5.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.608 -11.836 -3.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.160 -10.545 -2.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.783 -11.040 -2.770 1.00 0.00 H new ATOM 653 N GLN A 71 -11.365 -3.649 -4.026 1.00 0.00 N ATOM 654 CA GLN A 71 -11.677 -2.348 -3.440 1.00 0.00 C ATOM 655 C GLN A 71 -13.171 -2.308 -3.136 1.00 0.00 C ATOM 656 O GLN A 71 -13.816 -3.340 -2.932 1.00 0.00 O ATOM 657 CB GLN A 71 -11.280 -1.218 -4.406 1.00 0.00 C ATOM 658 CG GLN A 71 -9.779 -1.130 -4.542 1.00 0.00 C ATOM 659 CD GLN A 71 -9.206 -0.603 -3.247 1.00 0.00 C ATOM 660 OE1 GLN A 71 -9.782 -0.172 -2.268 1.00 0.00 O ATOM 661 NE2 GLN A 71 -7.976 -0.410 -3.314 1.00 0.00 N ATOM 0 H GLN A 71 -10.747 -4.222 -3.452 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.113 -2.203 -2.519 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.728 -1.395 -5.384 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.673 -0.268 -4.043 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.362 -2.111 -4.768 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.512 -0.472 -5.369 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.449 -0.753 -4.117 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.497 0.091 -2.566 1.00 0.00 H new ATOM 665 N ARG A 72 -13.669 -1.094 -3.016 1.00 0.00 N ATOM 666 CA ARG A 72 -15.098 -0.875 -2.842 1.00 0.00 C ATOM 667 C ARG A 72 -15.497 0.426 -3.529 1.00 0.00 C ATOM 668 O ARG A 72 -14.960 1.480 -3.222 1.00 0.00 O ATOM 669 CB ARG A 72 -15.493 -0.866 -1.375 1.00 0.00 C ATOM 670 CG ARG A 72 -16.957 -0.669 -1.036 1.00 0.00 C ATOM 671 CD ARG A 72 -17.123 -0.830 0.470 1.00 0.00 C ATOM 672 NE ARG A 72 -16.393 0.202 1.232 1.00 0.00 N ATOM 673 CZ ARG A 72 -15.858 0.022 2.438 1.00 0.00 C ATOM 674 NH1 ARG A 72 -15.949 -1.145 3.068 1.00 0.00 N ATOM 675 NH2 ARG A 72 -15.245 1.029 3.037 1.00 0.00 N ATOM 0 H ARG A 72 -13.109 -0.242 -3.035 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.635 -1.703 -3.304 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.172 -1.811 -0.937 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -14.926 -0.077 -0.881 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.291 0.320 -1.352 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -17.571 -1.397 -1.566 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -18.182 -0.783 0.723 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -16.768 -1.817 0.768 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.291 1.122 0.803 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -16.436 -1.926 2.628 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -15.531 -1.260 3.991 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.184 1.936 2.575 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -14.833 0.898 3.961 1.00 0.00 H new ATOM 682 N PRO A 73 -16.539 0.278 -4.358 1.00 0.00 N ATOM 683 CA PRO A 73 -17.129 1.414 -5.085 1.00 0.00 C ATOM 684 C PRO A 73 -17.981 2.301 -4.163 1.00 0.00 C ATOM 685 O PRO A 73 -19.062 2.761 -4.547 1.00 0.00 O ATOM 686 CB PRO A 73 -17.910 0.719 -6.205 1.00 0.00 C ATOM 687 CG PRO A 73 -18.375 -0.601 -5.590 1.00 0.00 C ATOM 688 CD PRO A 73 -17.210 -0.993 -4.691 1.00 0.00 C ATOM 0 HA PRO A 73 -16.403 2.124 -5.482 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.756 1.323 -6.532 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -17.282 0.549 -7.080 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -19.298 -0.479 -5.023 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -18.567 -1.356 -6.353 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -17.559 -1.502 -3.793 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -16.531 -1.676 -5.201 1.00 0.00 H new ATOM 689 N GLY A 74 -17.481 2.535 -2.947 1.00 0.00 N ATOM 690 CA GLY A 74 -18.192 3.298 -1.901 1.00 0.00 C ATOM 691 C GLY A 74 -17.670 3.008 -0.485 1.00 0.00 C ATOM 692 O GLY A 74 -16.429 2.980 -0.323 1.00 0.00 O ATOM 693 OXT GLY A 74 -18.522 2.739 0.387 1.00 99.99 O ATOM 0 H GLY A 74 -16.564 2.200 -2.652 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -18.094 4.364 -2.107 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -19.255 3.061 -1.946 1.00 0.00 H new TER 695 GLY A 74