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 68 HIS : no HD1:sc= -15.9! C(o=-27!,f=-37!) USER MOD Set 1.2: A 71 GLN : amide:sc= -10.9! C(o=-27!,f=-25!) USER MOD Set 2.1: A 24 TYR OH : rot -50:sc= -4.08! USER MOD Set 2.2: A 26 LYS NZ :NH3+ 155:sc= -1.06 (180deg=-2.53!) USER MOD Set 2.3: A 51 LYS NZ :NH3+ 159:sc= -7.66! (180deg=-9.12!) USER MOD Set 3.1: A 1 ILE N :NH3+ 145:sc= -0.169 (180deg=-0.581) USER MOD Set 3.2: A 15 THR OG1 : rot -85:sc= 1.77 USER MOD Set 4.1: A 5 THR OG1 : rot -79:sc= -8.14! USER MOD Set 4.2: A 64 LYS NZ :NH3+ -122:sc= 0.102! (180deg=0.903) USER MOD Single : A 4 HIS : no HE2:sc= -7.4! C(o=-7.4!,f=-7.2!) USER MOD Single : A 6 THR OG1 : rot 170:sc= 0 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= 1.06 USER MOD Single : A 21 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.14) USER MOD Single : A 27 MET CE :methyl -155:sc= -0.418 (180deg=-1.75!) USER MOD Single : A 34 SER OG : rot 28:sc= 0.424 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -148:sc= -8.5! (180deg=-11.4!) 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= -0.786 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.855 USER MOD Single : A 61 SER OG : rot 62:sc= 0.0234 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -16.1! C(o=-16!,f=-15!) USER MOD Single : A 70 LYS NZ :NH3+ 153:sc= -0.617 (180deg=-1.96!) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 3.949 14.244 -2.948 1.00 0.00 N ATOM 2 CA ILE A 1 3.593 13.992 -4.366 1.00 0.00 C ATOM 3 C ILE A 1 4.341 12.764 -4.899 1.00 0.00 C ATOM 4 O ILE A 1 5.492 12.816 -5.318 1.00 0.00 O ATOM 5 CB ILE A 1 3.918 15.182 -5.284 1.00 0.00 C ATOM 6 CG1 ILE A 1 3.070 16.389 -4.883 1.00 0.00 C ATOM 7 CG2 ILE A 1 3.710 14.842 -6.778 1.00 0.00 C ATOM 8 CD1 ILE A 1 3.573 17.681 -5.536 1.00 0.00 C ATOM 0 H1 ILE A 1 3.966 15.269 -2.771 1.00 0.00 H new ATOM 0 H2 ILE A 1 3.243 13.797 -2.328 1.00 0.00 H new ATOM 0 H3 ILE A 1 4.888 13.843 -2.749 1.00 0.00 H new ATOM 0 HA ILE A 1 2.515 13.828 -4.379 1.00 0.00 H new ATOM 0 HB ILE A 1 4.974 15.421 -5.159 1.00 0.00 H new ATOM 0 HG12 ILE A 1 2.033 16.216 -5.171 1.00 0.00 H new ATOM 0 HG13 ILE A 1 3.086 16.500 -3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 1 3.952 15.713 -7.387 1.00 0.00 H new ATOM 0 HG22 ILE A 1 4.360 14.013 -7.056 1.00 0.00 H new ATOM 0 HG23 ILE A 1 2.671 14.560 -6.946 1.00 0.00 H new ATOM 0 HD11 ILE A 1 2.943 18.515 -5.225 1.00 0.00 H new ATOM 0 HD12 ILE A 1 4.601 17.868 -5.227 1.00 0.00 H new ATOM 0 HD13 ILE A 1 3.532 17.580 -6.621 1.00 0.00 H new ATOM 12 N VAL A 2 3.681 11.635 -4.780 1.00 0.00 N ATOM 13 CA VAL A 2 4.225 10.362 -5.213 1.00 0.00 C ATOM 14 C VAL A 2 3.056 9.451 -5.546 1.00 0.00 C ATOM 15 O VAL A 2 2.394 9.723 -6.493 1.00 0.00 O ATOM 16 CB VAL A 2 5.018 9.694 -4.122 1.00 0.00 C ATOM 17 CG1 VAL A 2 5.594 8.514 -4.921 1.00 0.00 C ATOM 18 CG2 VAL A 2 5.726 10.634 -3.132 1.00 0.00 C ATOM 0 H VAL A 2 2.746 11.570 -4.378 1.00 0.00 H new ATOM 0 HA VAL A 2 4.880 10.538 -6.066 1.00 0.00 H new ATOM 0 HB VAL A 2 4.560 9.267 -3.230 1.00 0.00 H new ATOM 0 HG11 VAL A 2 6.216 7.902 -4.268 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.778 7.909 -5.316 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.197 8.893 -5.746 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.265 10.043 -2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.429 11.268 -3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.986 11.258 -2.630 1.00 0.00 H new ATOM 20 N CYS A 3 2.855 8.393 -4.762 1.00 0.00 N ATOM 21 CA CYS A 3 1.934 7.341 -5.047 1.00 0.00 C ATOM 22 C CYS A 3 0.588 7.963 -4.887 1.00 0.00 C ATOM 23 O CYS A 3 0.386 8.733 -3.976 1.00 0.00 O ATOM 24 CB CYS A 3 2.160 6.370 -3.942 1.00 0.00 C ATOM 25 SG CYS A 3 1.864 6.805 -2.203 1.00 0.00 S ATOM 0 H CYS A 3 3.357 8.258 -3.884 1.00 0.00 H new ATOM 0 HA CYS A 3 2.032 6.873 -6.026 1.00 0.00 H new ATOM 0 HB2 CYS A 3 1.542 5.499 -4.158 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.199 6.049 -4.013 1.00 0.00 H new ATOM 27 N HIS A 4 -0.311 7.502 -5.702 1.00 0.00 N ATOM 28 CA HIS A 4 -1.650 8.068 -5.727 1.00 0.00 C ATOM 29 C HIS A 4 -2.701 6.964 -5.611 1.00 0.00 C ATOM 30 O HIS A 4 -3.525 6.793 -6.478 1.00 0.00 O ATOM 31 CB HIS A 4 -1.860 8.890 -7.007 1.00 0.00 C ATOM 32 CG HIS A 4 -0.952 10.107 -7.135 1.00 0.00 C ATOM 33 ND1 HIS A 4 0.084 10.180 -7.952 1.00 0.00 N ATOM 34 CD2 HIS A 4 -1.055 11.291 -6.544 1.00 0.00 C ATOM 35 CE1 HIS A 4 0.610 11.397 -7.856 1.00 0.00 C ATOM 36 NE2 HIS A 4 -0.092 12.092 -6.971 1.00 0.00 N ATOM 0 H HIS A 4 -0.155 6.739 -6.361 1.00 0.00 H new ATOM 0 HA HIS A 4 -1.762 8.734 -4.871 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -1.701 8.242 -7.869 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.898 9.222 -7.044 1.00 0.00 H new ATOM 0 HD1 HIS A 4 0.423 9.430 -8.554 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -1.812 11.561 -5.822 1.00 0.00 H new ATOM 0 HE1 HIS A 4 1.466 11.759 -8.406 1.00 0.00 H new ATOM 39 N THR A 5 -2.570 6.172 -4.525 1.00 0.00 N ATOM 40 CA THR A 5 -3.483 5.062 -4.258 1.00 0.00 C ATOM 41 C THR A 5 -3.813 4.950 -2.727 1.00 0.00 C ATOM 42 O THR A 5 -4.653 5.744 -2.338 1.00 0.00 O ATOM 43 CB THR A 5 -3.008 3.678 -4.496 1.00 0.00 C ATOM 44 OG1 THR A 5 -3.246 3.280 -5.789 1.00 0.00 O ATOM 45 CG2 THR A 5 -4.239 2.759 -4.365 1.00 0.00 C ATOM 0 H THR A 5 -1.838 6.288 -3.825 1.00 0.00 H new ATOM 0 HA THR A 5 -4.284 5.330 -4.947 1.00 0.00 H new ATOM 0 HB THR A 5 -2.049 3.643 -3.979 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.186 3.019 -5.883 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.940 1.724 -4.532 1.00 0.00 H new ATOM 0 HG22 THR A 5 -4.662 2.857 -3.365 1.00 0.00 H new ATOM 0 HG23 THR A 5 -4.987 3.045 -5.105 1.00 0.00 H new ATOM 48 N THR A 6 -3.308 3.915 -2.156 1.00 0.00 N ATOM 49 CA THR A 6 -3.765 3.566 -0.741 1.00 0.00 C ATOM 50 C THR A 6 -2.684 4.392 -0.078 1.00 0.00 C ATOM 51 O THR A 6 -2.375 5.503 -0.575 1.00 0.00 O ATOM 52 CB THR A 6 -3.774 2.060 -0.455 1.00 0.00 C ATOM 53 OG1 THR A 6 -4.424 1.146 -1.327 1.00 0.00 O ATOM 54 CG2 THR A 6 -4.011 1.628 0.992 1.00 0.00 C ATOM 0 H THR A 6 -2.615 3.290 -2.567 1.00 0.00 H new ATOM 0 HA THR A 6 -4.789 3.778 -0.434 1.00 0.00 H new ATOM 0 HB THR A 6 -2.719 1.962 -0.709 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.189 0.229 -1.074 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.993 0.540 1.055 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.228 2.041 1.628 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.981 1.994 1.327 1.00 0.00 H new ATOM 57 N ALA A 7 -2.340 4.015 1.127 1.00 0.00 N ATOM 58 CA ALA A 7 -1.464 4.751 2.059 1.00 0.00 C ATOM 59 C ALA A 7 -2.158 5.070 3.359 1.00 0.00 C ATOM 60 O ALA A 7 -2.494 6.230 3.536 1.00 0.00 O ATOM 61 CB ALA A 7 -0.786 6.035 1.488 1.00 0.00 C ATOM 0 H ALA A 7 -2.673 3.137 1.526 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.651 4.047 2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.167 6.493 2.259 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.164 5.769 0.634 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.553 6.742 1.172 1.00 0.00 H new ATOM 63 N THR A 8 -2.506 4.042 4.158 1.00 0.00 N ATOM 64 CA THR A 8 -3.321 4.276 5.377 1.00 0.00 C ATOM 65 C THR A 8 -4.786 4.356 4.956 1.00 0.00 C ATOM 66 O THR A 8 -5.334 5.453 4.907 1.00 0.00 O ATOM 67 CB THR A 8 -2.949 5.617 6.067 1.00 0.00 C ATOM 68 OG1 THR A 8 -1.604 5.540 6.495 1.00 0.00 O ATOM 69 CG2 THR A 8 -3.827 6.167 7.195 1.00 0.00 C ATOM 0 H THR A 8 -2.248 3.069 3.994 1.00 0.00 H new ATOM 0 HA THR A 8 -3.137 3.462 6.078 1.00 0.00 H new ATOM 0 HB THR A 8 -3.132 6.353 5.284 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.351 6.380 6.932 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.411 7.109 7.553 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.837 6.335 6.821 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.858 5.449 8.015 1.00 0.00 H new ATOM 72 N SER A 9 -5.313 3.210 4.458 1.00 0.00 N ATOM 73 CA SER A 9 -6.738 3.050 4.095 1.00 0.00 C ATOM 74 C SER A 9 -7.034 3.218 2.576 1.00 0.00 C ATOM 75 O SER A 9 -6.183 2.824 1.794 1.00 0.00 O ATOM 76 CB SER A 9 -7.576 4.000 4.960 1.00 0.00 C ATOM 77 OG SER A 9 -7.684 3.821 6.340 1.00 0.00 O ATOM 0 H SER A 9 -4.757 2.370 4.297 1.00 0.00 H new ATOM 0 HA SER A 9 -7.019 2.017 4.301 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.184 5.004 4.800 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.589 3.985 4.558 1.00 0.00 H new ATOM 0 HG SER A 9 -8.255 4.522 6.717 1.00 0.00 H new ATOM 80 N PRO A 10 -8.148 3.738 2.061 1.00 0.00 N ATOM 81 CA PRO A 10 -8.355 3.953 0.618 1.00 0.00 C ATOM 82 C PRO A 10 -7.540 5.126 0.068 1.00 0.00 C ATOM 83 O PRO A 10 -7.268 5.177 -1.127 1.00 0.00 O ATOM 84 CB PRO A 10 -9.862 4.201 0.508 1.00 0.00 C ATOM 85 CG PRO A 10 -10.235 4.917 1.798 1.00 0.00 C ATOM 86 CD PRO A 10 -9.453 4.020 2.712 1.00 0.00 C ATOM 0 HA PRO A 10 -8.017 3.104 0.023 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.100 4.809 -0.365 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.410 3.265 0.403 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.908 5.956 1.827 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.306 4.914 2.001 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.302 4.498 3.680 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.997 3.093 2.896 1.00 0.00 H new ATOM 87 N ILE A 11 -7.270 6.116 0.934 1.00 0.00 N ATOM 88 CA ILE A 11 -6.480 7.316 0.577 1.00 0.00 C ATOM 89 C ILE A 11 -7.252 7.979 -0.532 1.00 0.00 C ATOM 90 O ILE A 11 -8.476 7.736 -0.644 1.00 0.00 O ATOM 91 CB ILE A 11 -5.029 6.931 0.163 1.00 0.00 C ATOM 92 CG1 ILE A 11 -4.329 6.616 1.439 1.00 0.00 C ATOM 93 CG2 ILE A 11 -4.043 7.947 -0.422 1.00 0.00 C ATOM 94 CD1 ILE A 11 -4.833 5.329 2.033 1.00 0.00 C ATOM 0 H ILE A 11 -7.591 6.112 1.902 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.353 7.998 1.418 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.221 6.195 -0.618 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.256 6.541 1.260 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.477 7.430 2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.095 7.453 -0.635 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.451 8.361 -1.344 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.880 8.751 0.296 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.303 5.126 2.964 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.901 5.415 2.235 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.661 4.513 1.332 1.00 0.00 H new ATOM 96 N SER A 12 -6.580 8.732 -1.333 1.00 0.00 N ATOM 97 CA SER A 12 -7.106 9.447 -2.489 1.00 0.00 C ATOM 98 C SER A 12 -5.993 10.099 -3.280 1.00 0.00 C ATOM 99 O SER A 12 -6.170 11.230 -3.690 1.00 0.00 O ATOM 100 CB SER A 12 -8.041 10.545 -1.968 1.00 0.00 C ATOM 101 OG SER A 12 -9.249 9.928 -1.554 1.00 0.00 O ATOM 0 H SER A 12 -5.580 8.888 -1.206 1.00 0.00 H new ATOM 0 HA SER A 12 -7.626 8.745 -3.141 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.579 11.076 -1.136 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.236 11.282 -2.747 1.00 0.00 H new ATOM 0 HG SER A 12 -9.137 8.954 -1.557 1.00 0.00 H new ATOM 104 N ALA A 13 -4.815 9.439 -3.336 1.00 0.00 N ATOM 105 CA ALA A 13 -3.662 9.953 -4.077 1.00 0.00 C ATOM 106 C ALA A 13 -2.637 10.460 -3.096 1.00 0.00 C ATOM 107 O ALA A 13 -1.493 10.224 -3.439 1.00 0.00 O ATOM 108 CB ALA A 13 -3.870 11.062 -5.122 1.00 0.00 C ATOM 0 H ALA A 13 -4.646 8.546 -2.872 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.364 9.085 -4.664 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.912 11.321 -5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.552 10.709 -5.896 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.294 11.942 -4.639 1.00 0.00 H new ATOM 110 N VAL A 14 -3.066 10.990 -1.950 1.00 0.00 N ATOM 111 CA VAL A 14 -2.236 11.491 -0.825 1.00 0.00 C ATOM 112 C VAL A 14 -0.803 11.567 -1.254 1.00 0.00 C ATOM 113 O VAL A 14 -0.480 12.678 -1.639 1.00 0.00 O ATOM 114 CB VAL A 14 -2.364 10.714 0.491 1.00 0.00 C ATOM 115 CG1 VAL A 14 -1.289 11.046 1.543 1.00 0.00 C ATOM 116 CG2 VAL A 14 -3.711 11.080 1.099 1.00 0.00 C ATOM 0 H VAL A 14 -4.063 11.093 -1.759 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.628 12.481 -0.593 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.251 9.658 0.245 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.460 10.449 2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.302 10.819 1.139 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.343 12.105 1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.842 10.546 2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.748 12.154 1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.509 10.802 0.410 1.00 0.00 H new ATOM 118 N THR A 15 -0.146 10.398 -1.203 1.00 0.00 N ATOM 119 CA THR A 15 1.199 10.139 -1.723 1.00 0.00 C ATOM 120 C THR A 15 2.083 9.936 -0.531 1.00 0.00 C ATOM 121 O THR A 15 3.253 10.314 -0.634 1.00 0.00 O ATOM 122 CB THR A 15 1.813 11.284 -2.533 1.00 0.00 C ATOM 123 OG1 THR A 15 2.042 12.404 -1.663 1.00 0.00 O ATOM 124 CG2 THR A 15 1.022 11.618 -3.802 1.00 0.00 C ATOM 0 H THR A 15 -0.561 9.570 -0.777 1.00 0.00 H new ATOM 0 HA THR A 15 1.120 9.285 -2.396 1.00 0.00 H new ATOM 0 HB THR A 15 2.779 10.966 -2.924 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.224 12.940 -1.598 1.00 0.00 H new ATOM 0 HG21 THR A 15 1.510 12.437 -4.330 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.984 10.741 -4.449 1.00 0.00 H new ATOM 0 HG23 THR A 15 0.008 11.913 -3.532 1.00 0.00 H new ATOM 127 N CYS A 16 1.501 9.460 0.571 1.00 0.00 N ATOM 128 CA CYS A 16 2.235 9.188 1.797 1.00 0.00 C ATOM 129 C CYS A 16 2.722 10.501 2.428 1.00 0.00 C ATOM 130 O CYS A 16 2.139 11.560 2.135 1.00 0.00 O ATOM 131 CB CYS A 16 3.337 8.271 1.255 1.00 0.00 C ATOM 132 SG CYS A 16 4.979 8.992 0.786 1.00 0.00 S ATOM 0 H CYS A 16 0.504 9.253 0.633 1.00 0.00 H new ATOM 0 HA CYS A 16 1.682 8.726 2.615 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.521 7.503 2.006 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.938 7.767 0.374 1.00 0.00 H new ATOM 134 N PRO A 17 3.768 10.441 3.260 1.00 0.00 N ATOM 135 CA PRO A 17 4.341 11.631 3.871 1.00 0.00 C ATOM 136 C PRO A 17 5.166 12.455 2.841 1.00 0.00 C ATOM 137 O PRO A 17 4.796 12.502 1.657 1.00 0.00 O ATOM 138 CB PRO A 17 5.023 10.911 5.056 1.00 0.00 C ATOM 139 CG PRO A 17 5.721 9.736 4.429 1.00 0.00 C ATOM 140 CD PRO A 17 4.392 9.256 3.916 1.00 0.00 C ATOM 0 HA PRO A 17 3.712 12.452 4.214 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.729 11.567 5.566 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.293 10.589 5.799 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.450 9.988 3.659 1.00 0.00 H new ATOM 0 HG3 PRO A 17 6.216 9.064 5.130 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.517 8.436 3.209 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.769 8.884 4.729 1.00 0.00 H new ATOM 141 N PRO A 18 6.221 13.166 3.281 1.00 0.00 N ATOM 142 CA PRO A 18 7.069 13.979 2.405 1.00 0.00 C ATOM 143 C PRO A 18 7.932 13.064 1.522 1.00 0.00 C ATOM 144 O PRO A 18 7.415 12.333 0.678 1.00 0.00 O ATOM 145 CB PRO A 18 7.850 14.859 3.401 1.00 0.00 C ATOM 146 CG PRO A 18 8.071 13.963 4.614 1.00 0.00 C ATOM 147 CD PRO A 18 6.691 13.360 4.676 1.00 0.00 C ATOM 0 HA PRO A 18 6.542 14.603 1.684 1.00 0.00 H new ATOM 0 HB2 PRO A 18 8.797 15.193 2.977 1.00 0.00 H new ATOM 0 HB3 PRO A 18 7.286 15.754 3.666 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.854 13.221 4.459 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.334 14.520 5.513 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.713 12.409 5.208 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.011 14.015 5.221 1.00 0.00 H new ATOM 148 N GLY A 19 9.246 13.116 1.757 1.00 0.00 N ATOM 149 CA GLY A 19 10.240 12.358 0.979 1.00 0.00 C ATOM 150 C GLY A 19 10.391 12.895 -0.446 1.00 0.00 C ATOM 151 O GLY A 19 11.496 12.839 -0.975 1.00 0.00 O ATOM 0 H GLY A 19 9.656 13.687 2.496 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.204 12.400 1.485 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.946 11.309 0.941 1.00 0.00 H new ATOM 153 N GLU A 20 9.331 13.526 -0.970 1.00 0.00 N ATOM 154 CA GLU A 20 9.289 14.101 -2.325 1.00 0.00 C ATOM 155 C GLU A 20 9.485 13.001 -3.357 1.00 0.00 C ATOM 156 O GLU A 20 10.586 12.778 -3.820 1.00 0.00 O ATOM 157 CB GLU A 20 10.434 15.110 -2.501 1.00 0.00 C ATOM 158 CG GLU A 20 10.241 16.321 -1.609 1.00 0.00 C ATOM 159 CD GLU A 20 9.129 17.143 -2.244 1.00 0.00 C ATOM 160 OE1 GLU A 20 7.955 16.876 -1.900 1.00 0.00 O ATOM 161 OE2 GLU A 20 9.490 17.987 -3.087 1.00 0.00 O ATOM 0 H GLU A 20 8.460 13.654 -0.455 1.00 0.00 H new ATOM 0 HA GLU A 20 8.324 14.589 -2.461 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.384 14.630 -2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.486 15.427 -3.543 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.973 16.020 -0.596 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.161 16.901 -1.536 1.00 0.00 H new ATOM 163 N ASN A 21 8.383 12.290 -3.639 1.00 0.00 N ATOM 164 CA ASN A 21 8.409 11.162 -4.583 1.00 0.00 C ATOM 165 C ASN A 21 8.625 9.875 -3.796 1.00 0.00 C ATOM 166 O ASN A 21 9.029 9.921 -2.620 1.00 0.00 O ATOM 167 CB ASN A 21 9.359 11.255 -5.791 1.00 0.00 C ATOM 168 CG ASN A 21 9.003 12.457 -6.638 1.00 0.00 C ATOM 169 OD1 ASN A 21 9.825 13.294 -6.978 1.00 0.00 O ATOM 170 ND2 ASN A 21 7.752 12.486 -7.032 1.00 0.00 N ATOM 0 H ASN A 21 7.467 12.474 -3.230 1.00 0.00 H new ATOM 0 HA ASN A 21 7.436 11.185 -5.073 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.390 11.334 -5.448 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.291 10.346 -6.388 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.429 13.231 -7.650 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.102 11.764 -6.721 1.00 0.00 H new ATOM 174 N LEU A 22 8.211 8.768 -4.366 1.00 0.00 N ATOM 175 CA LEU A 22 8.256 7.413 -3.747 1.00 0.00 C ATOM 176 C LEU A 22 7.170 7.187 -2.689 1.00 0.00 C ATOM 177 O LEU A 22 6.601 8.109 -2.099 1.00 0.00 O ATOM 178 CB LEU A 22 9.604 7.184 -3.073 1.00 0.00 C ATOM 179 CG LEU A 22 10.788 7.322 -4.040 1.00 0.00 C ATOM 180 CD1 LEU A 22 11.063 8.557 -4.917 1.00 0.00 C ATOM 181 CD2 LEU A 22 12.083 7.017 -3.342 1.00 0.00 C ATOM 0 H LEU A 22 7.815 8.758 -5.306 1.00 0.00 H new ATOM 0 HA LEU A 22 8.090 6.714 -4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.723 7.898 -2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.618 6.188 -2.630 1.00 0.00 H new ATOM 0 HG LEU A 22 10.411 6.610 -4.774 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.965 8.391 -5.506 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.218 8.724 -5.585 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.201 9.431 -4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.909 7.121 -4.046 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.222 7.712 -2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.059 5.997 -2.959 1.00 0.00 H new ATOM 183 N CYS A 23 6.808 5.938 -2.522 1.00 0.00 N ATOM 184 CA CYS A 23 5.764 5.553 -1.577 1.00 0.00 C ATOM 185 C CYS A 23 5.865 4.087 -1.253 1.00 0.00 C ATOM 186 O CYS A 23 5.545 3.235 -2.086 1.00 0.00 O ATOM 187 CB CYS A 23 4.383 5.762 -2.138 1.00 0.00 C ATOM 188 SG CYS A 23 3.769 7.469 -2.092 1.00 0.00 S ATOM 0 H CYS A 23 7.221 5.156 -3.030 1.00 0.00 H new ATOM 0 HA CYS A 23 5.912 6.178 -0.697 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.375 5.420 -3.173 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.687 5.129 -1.587 1.00 0.00 H new ATOM 190 N TYR A 24 6.355 3.825 -0.056 1.00 0.00 N ATOM 191 CA TYR A 24 6.552 2.441 0.384 1.00 0.00 C ATOM 192 C TYR A 24 5.248 1.608 0.166 1.00 0.00 C ATOM 193 O TYR A 24 4.133 1.981 0.434 1.00 0.00 O ATOM 194 CB TYR A 24 7.102 2.460 1.823 1.00 0.00 C ATOM 195 CG TYR A 24 6.138 2.124 2.952 1.00 0.00 C ATOM 196 CD1 TYR A 24 4.801 2.319 2.814 1.00 0.00 C ATOM 197 CD2 TYR A 24 6.515 1.383 4.043 1.00 0.00 C ATOM 198 CE1 TYR A 24 3.792 1.718 3.511 1.00 0.00 C ATOM 199 CE2 TYR A 24 5.518 0.890 4.855 1.00 0.00 C ATOM 200 CZ TYR A 24 4.173 0.985 4.590 1.00 0.00 C ATOM 201 OH TYR A 24 3.223 0.546 5.424 1.00 0.00 O ATOM 0 H TYR A 24 6.623 4.535 0.626 1.00 0.00 H new ATOM 0 HA TYR A 24 7.299 1.924 -0.219 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.935 1.759 1.873 1.00 0.00 H new ATOM 0 HB3 TYR A 24 7.509 3.453 2.014 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.500 3.035 2.063 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.556 1.193 4.257 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.756 1.819 3.223 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.815 0.392 5.766 1.00 0.00 H new ATOM 0 HH TYR A 24 2.637 1.291 5.674 1.00 0.00 H new ATOM 208 N ARG A 25 5.352 0.561 -0.614 1.00 0.00 N ATOM 209 CA ARG A 25 4.129 -0.234 -0.708 1.00 0.00 C ATOM 210 C ARG A 25 4.284 -1.537 0.046 1.00 0.00 C ATOM 211 O ARG A 25 5.298 -2.192 -0.090 1.00 0.00 O ATOM 212 CB ARG A 25 3.598 -0.259 -2.130 1.00 0.00 C ATOM 213 CG ARG A 25 2.491 -1.306 -2.261 1.00 0.00 C ATOM 214 CD ARG A 25 2.093 -1.483 -3.709 1.00 0.00 C ATOM 215 NE ARG A 25 2.773 -2.645 -4.259 1.00 0.00 N ATOM 216 CZ ARG A 25 2.354 -3.883 -4.063 1.00 0.00 C ATOM 217 NH1 ARG A 25 1.265 -4.133 -3.348 1.00 0.00 N ATOM 218 NH2 ARG A 25 3.055 -4.877 -4.573 1.00 0.00 N ATOM 0 H ARG A 25 6.167 0.253 -1.144 1.00 0.00 H new ATOM 0 HA ARG A 25 3.299 0.236 -0.181 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.213 0.724 -2.400 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.407 -0.486 -2.824 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.833 -2.257 -1.854 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.624 -1.001 -1.675 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.013 -1.609 -3.788 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.353 -0.592 -4.280 1.00 0.00 H new ATOM 0 HE ARG A 25 3.611 -2.498 -4.821 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.736 -3.363 -2.939 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.957 -5.095 -3.207 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.902 -4.682 -5.106 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.750 -5.840 -4.434 1.00 0.00 H new ATOM 225 N LYS A 26 3.389 -1.732 0.999 1.00 0.00 N ATOM 226 CA LYS A 26 3.434 -2.985 1.754 1.00 0.00 C ATOM 227 C LYS A 26 2.011 -3.454 1.993 1.00 0.00 C ATOM 228 O LYS A 26 1.174 -2.575 2.100 1.00 0.00 O ATOM 229 CB LYS A 26 4.146 -2.746 3.078 1.00 0.00 C ATOM 230 CG LYS A 26 4.318 -4.146 3.658 1.00 0.00 C ATOM 231 CD LYS A 26 5.023 -4.186 4.977 1.00 0.00 C ATOM 232 CE LYS A 26 5.393 -5.410 5.786 1.00 0.00 C ATOM 233 NZ LYS A 26 5.889 -4.980 7.108 1.00 0.00 N ATOM 0 H LYS A 26 2.653 -1.078 1.265 1.00 0.00 H new ATOM 0 HA LYS A 26 3.978 -3.749 1.199 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.107 -2.253 2.932 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.558 -2.109 3.739 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.335 -4.602 3.771 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.872 -4.756 2.945 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.960 -3.653 4.818 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.418 -3.573 5.645 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.526 -6.061 5.902 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.158 -5.988 5.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.747 -5.745 7.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.903 -4.756 7.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.367 -4.135 7.416 1.00 0.00 H new ATOM 238 N MET A 27 1.833 -4.741 2.277 1.00 0.00 N ATOM 239 CA MET A 27 0.558 -5.427 2.543 1.00 0.00 C ATOM 240 C MET A 27 -0.232 -5.609 1.274 1.00 0.00 C ATOM 241 O MET A 27 0.192 -5.112 0.238 1.00 0.00 O ATOM 242 CB MET A 27 -0.290 -4.654 3.523 1.00 0.00 C ATOM 243 CG MET A 27 0.495 -4.661 4.805 1.00 0.00 C ATOM 244 SD MET A 27 0.352 -6.169 5.792 1.00 0.00 S ATOM 245 CE MET A 27 -1.406 -6.082 6.051 1.00 0.00 C ATOM 0 H MET A 27 2.625 -5.381 2.333 1.00 0.00 H new ATOM 0 HA MET A 27 0.808 -6.399 2.967 1.00 0.00 H new ATOM 0 HB2 MET A 27 -0.468 -3.637 3.175 1.00 0.00 H new ATOM 0 HB3 MET A 27 -1.266 -5.121 3.655 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.547 -4.500 4.568 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.172 -3.816 5.414 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.667 -6.621 6.962 1.00 0.00 H new ATOM 0 HE2 MET A 27 -1.708 -5.039 6.147 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.921 -6.533 5.203 1.00 0.00 H new ATOM 247 N TRP A 28 -1.314 -6.377 1.412 1.00 0.00 N ATOM 248 CA TRP A 28 -2.189 -6.754 0.287 1.00 0.00 C ATOM 249 C TRP A 28 -3.082 -7.944 0.617 1.00 0.00 C ATOM 250 O TRP A 28 -4.277 -7.949 0.406 1.00 0.00 O ATOM 251 CB TRP A 28 -1.371 -7.046 -0.972 1.00 0.00 C ATOM 252 CG TRP A 28 -2.153 -7.417 -2.205 1.00 0.00 C ATOM 253 CD1 TRP A 28 -2.769 -6.599 -3.039 1.00 0.00 C ATOM 254 CD2 TRP A 28 -2.329 -8.716 -2.641 1.00 0.00 C ATOM 255 NE1 TRP A 28 -3.330 -7.355 -4.015 1.00 0.00 N ATOM 256 CE2 TRP A 28 -3.071 -8.620 -3.769 1.00 0.00 C ATOM 257 CE3 TRP A 28 -1.925 -9.934 -2.115 1.00 0.00 C ATOM 258 CZ2 TRP A 28 -3.469 -9.795 -4.449 1.00 0.00 C ATOM 259 CZ3 TRP A 28 -2.267 -11.093 -2.817 1.00 0.00 C ATOM 260 CH2 TRP A 28 -3.023 -11.014 -3.962 1.00 0.00 C ATOM 0 H TRP A 28 -1.614 -6.760 2.309 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.837 -5.898 0.100 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.769 -6.167 -1.200 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.678 -7.857 -0.749 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.817 -5.523 -2.958 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -3.864 -7.001 -4.808 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.365 -9.985 -1.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.102 -9.744 -5.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.935 -12.056 -2.458 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.275 -11.920 -4.493 1.00 0.00 H new ATOM 268 N CYS A 29 -2.462 -8.859 1.336 1.00 0.00 N ATOM 269 CA CYS A 29 -3.087 -10.125 1.684 1.00 0.00 C ATOM 270 C CYS A 29 -3.069 -10.178 3.201 1.00 0.00 C ATOM 271 O CYS A 29 -2.424 -11.086 3.719 1.00 0.00 O ATOM 272 CB CYS A 29 -2.313 -11.301 1.061 1.00 0.00 C ATOM 273 SG CYS A 29 -3.228 -12.815 1.441 1.00 0.00 S ATOM 0 H CYS A 29 -1.514 -8.749 1.696 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.105 -10.202 1.301 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.219 -11.170 -0.017 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.302 -11.352 1.465 1.00 0.00 H new ATOM 275 N ASP A 30 -3.647 -9.158 3.845 1.00 0.00 N ATOM 276 CA ASP A 30 -3.788 -9.055 5.316 1.00 0.00 C ATOM 277 C ASP A 30 -2.788 -9.935 6.074 1.00 0.00 C ATOM 278 O ASP A 30 -1.665 -9.500 6.332 1.00 0.00 O ATOM 279 CB ASP A 30 -5.204 -9.465 5.720 1.00 0.00 C ATOM 280 CG ASP A 30 -6.176 -8.422 5.252 1.00 0.00 C ATOM 281 OD1 ASP A 30 -6.251 -7.486 6.045 1.00 0.00 O ATOM 282 OD2 ASP A 30 -6.815 -8.639 4.200 1.00 0.00 O ATOM 0 H ASP A 30 -4.042 -8.357 3.352 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.585 -8.018 5.582 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.453 -10.432 5.284 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.267 -9.578 6.802 1.00 0.00 H new ATOM 284 N ALA A 31 -3.166 -11.197 6.196 1.00 0.00 N ATOM 285 CA ALA A 31 -2.305 -12.295 6.666 1.00 0.00 C ATOM 286 C ALA A 31 -3.038 -13.634 6.622 1.00 0.00 C ATOM 287 O ALA A 31 -2.509 -14.665 7.034 1.00 0.00 O ATOM 288 CB ALA A 31 -1.966 -11.995 8.118 1.00 0.00 C ATOM 0 H ALA A 31 -4.110 -11.506 5.965 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.422 -12.364 6.030 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.326 -12.784 8.513 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.444 -11.040 8.180 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.884 -11.945 8.703 1.00 0.00 H new ATOM 290 N PHE A 32 -4.295 -13.580 6.200 1.00 0.00 N ATOM 291 CA PHE A 32 -5.143 -14.764 6.154 1.00 0.00 C ATOM 292 C PHE A 32 -5.355 -15.258 4.739 1.00 0.00 C ATOM 293 O PHE A 32 -5.974 -16.311 4.609 1.00 0.00 O ATOM 294 CB PHE A 32 -6.478 -14.474 6.835 1.00 0.00 C ATOM 295 CG PHE A 32 -6.246 -14.401 8.338 1.00 0.00 C ATOM 296 CD1 PHE A 32 -6.096 -15.577 9.063 1.00 0.00 C ATOM 297 CD2 PHE A 32 -6.180 -13.166 8.967 1.00 0.00 C ATOM 298 CE1 PHE A 32 -5.874 -15.515 10.431 1.00 0.00 C ATOM 299 CE2 PHE A 32 -5.967 -13.107 10.336 1.00 0.00 C ATOM 300 CZ PHE A 32 -5.813 -14.280 11.067 1.00 0.00 C ATOM 0 H PHE A 32 -4.751 -12.724 5.883 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.633 -15.562 6.693 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.894 -13.535 6.470 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.201 -15.255 6.601 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.152 -16.533 8.564 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.294 -12.257 8.395 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.749 -16.424 11.001 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -5.921 -12.150 10.835 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.645 -14.232 12.133 1.00 0.00 H new ATOM 307 N CYS A 33 -4.946 -14.447 3.752 1.00 0.00 N ATOM 308 CA CYS A 33 -5.106 -14.778 2.319 1.00 0.00 C ATOM 309 C CYS A 33 -6.436 -15.490 2.072 1.00 0.00 C ATOM 310 O CYS A 33 -6.487 -16.539 1.423 1.00 0.00 O ATOM 311 CB CYS A 33 -3.893 -15.575 1.784 1.00 0.00 C ATOM 312 SG CYS A 33 -2.328 -14.636 1.591 1.00 0.00 S ATOM 0 H CYS A 33 -4.497 -13.547 3.918 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.133 -13.847 1.752 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.709 -16.412 2.457 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.161 -15.997 0.816 1.00 0.00 H new ATOM 314 N SER A 34 -7.446 -15.029 2.798 1.00 0.00 N ATOM 315 CA SER A 34 -8.741 -15.719 2.834 1.00 0.00 C ATOM 316 C SER A 34 -9.620 -15.171 1.724 1.00 0.00 C ATOM 317 O SER A 34 -10.833 -15.140 1.898 1.00 0.00 O ATOM 318 CB SER A 34 -9.444 -15.530 4.184 1.00 0.00 C ATOM 319 OG SER A 34 -8.796 -16.301 5.190 1.00 0.00 O ATOM 0 H SER A 34 -7.400 -14.185 3.369 1.00 0.00 H new ATOM 0 HA SER A 34 -8.568 -16.786 2.695 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.435 -14.476 4.462 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.489 -15.830 4.103 1.00 0.00 H new ATOM 0 HG SER A 34 -7.851 -16.416 4.956 1.00 0.00 H new ATOM 322 N SER A 35 -8.965 -14.765 0.627 1.00 0.00 N ATOM 323 CA SER A 35 -9.581 -14.134 -0.562 1.00 0.00 C ATOM 324 C SER A 35 -9.535 -12.624 -0.396 1.00 0.00 C ATOM 325 O SER A 35 -8.790 -12.165 0.468 1.00 0.00 O ATOM 326 CB SER A 35 -11.022 -14.587 -0.829 1.00 0.00 C ATOM 327 OG SER A 35 -10.985 -15.993 -1.030 1.00 0.00 O ATOM 0 H SER A 35 -7.954 -14.868 0.534 1.00 0.00 H new ATOM 0 HA SER A 35 -9.002 -14.453 -1.429 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.668 -14.335 0.012 1.00 0.00 H new ATOM 0 HB3 SER A 35 -11.429 -14.083 -1.706 1.00 0.00 H new ATOM 0 HG SER A 35 -11.892 -16.323 -1.203 1.00 0.00 H new ATOM 330 N ARG A 36 -10.284 -11.915 -1.257 1.00 0.00 N ATOM 331 CA ARG A 36 -10.397 -10.445 -1.270 1.00 0.00 C ATOM 332 C ARG A 36 -8.996 -9.791 -1.423 1.00 0.00 C ATOM 333 O ARG A 36 -8.145 -10.281 -2.164 1.00 0.00 O ATOM 334 CB ARG A 36 -11.196 -9.975 -0.025 1.00 0.00 C ATOM 335 CG ARG A 36 -10.414 -10.134 1.288 1.00 0.00 C ATOM 336 CD ARG A 36 -10.785 -9.213 2.410 1.00 0.00 C ATOM 337 NE ARG A 36 -9.763 -9.308 3.466 1.00 0.00 N ATOM 338 CZ ARG A 36 -10.030 -8.911 4.704 1.00 0.00 C ATOM 339 NH1 ARG A 36 -11.224 -8.433 5.012 1.00 0.00 N ATOM 340 NH2 ARG A 36 -9.117 -8.988 5.650 1.00 0.00 N ATOM 0 H ARG A 36 -10.844 -12.360 -1.984 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.963 -10.111 -2.140 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.472 -8.928 -0.152 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.123 -10.544 0.040 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.538 -11.160 1.635 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.355 -9.996 1.071 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.857 -8.188 2.047 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.764 -9.480 2.808 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.841 -9.683 3.244 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.947 -8.367 4.296 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.422 -8.130 5.966 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.190 -9.357 5.436 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.337 -8.679 6.597 1.00 0.00 H new ATOM 347 N GLY A 37 -8.756 -8.783 -0.587 1.00 0.00 N ATOM 348 CA GLY A 37 -7.460 -8.123 -0.414 1.00 0.00 C ATOM 349 C GLY A 37 -7.696 -6.649 -0.615 1.00 0.00 C ATOM 350 O GLY A 37 -7.748 -6.330 -1.795 1.00 0.00 O ATOM 0 H GLY A 37 -9.483 -8.388 0.010 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.055 -8.318 0.579 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.734 -8.501 -1.134 1.00 0.00 H new ATOM 352 N LYS A 38 -8.054 -6.000 0.498 1.00 0.00 N ATOM 353 CA LYS A 38 -8.323 -4.556 0.657 1.00 0.00 C ATOM 354 C LYS A 38 -7.603 -3.888 1.839 1.00 0.00 C ATOM 355 O LYS A 38 -7.804 -2.735 2.211 1.00 0.00 O ATOM 356 CB LYS A 38 -9.845 -4.317 0.664 1.00 0.00 C ATOM 357 CG LYS A 38 -10.192 -2.827 0.766 1.00 0.00 C ATOM 358 CD LYS A 38 -11.570 -2.452 0.301 1.00 0.00 C ATOM 359 CE LYS A 38 -11.559 -0.936 0.281 1.00 0.00 C ATOM 360 NZ LYS A 38 -12.955 -0.561 0.275 1.00 0.00 N ATOM 0 H LYS A 38 -8.174 -6.501 1.378 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.886 -4.054 -0.206 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.281 -4.729 -0.246 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.292 -4.852 1.502 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.081 -2.516 1.805 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.464 -2.261 0.184 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.782 -2.861 -0.687 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.336 -2.835 0.976 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.044 -0.532 1.152 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.042 -0.555 -0.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.074 0.325 -0.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.515 -1.313 -0.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.282 -0.425 1.253 1.00 0.00 H new ATOM 365 N VAL A 39 -6.736 -4.675 2.449 1.00 0.00 N ATOM 366 CA VAL A 39 -6.026 -4.209 3.641 1.00 0.00 C ATOM 367 C VAL A 39 -4.528 -4.239 3.365 1.00 0.00 C ATOM 368 O VAL A 39 -3.793 -5.159 3.715 1.00 0.00 O ATOM 369 CB VAL A 39 -6.416 -5.060 4.849 1.00 0.00 C ATOM 370 CG1 VAL A 39 -5.574 -4.699 6.082 1.00 0.00 C ATOM 371 CG2 VAL A 39 -7.903 -4.950 5.200 1.00 0.00 C ATOM 0 H VAL A 39 -6.505 -5.623 2.152 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.305 -3.182 3.876 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.216 -6.092 4.561 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.876 -5.322 6.924 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.519 -4.869 5.865 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.728 -3.650 6.333 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.120 -5.576 6.066 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.146 -3.913 5.432 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.502 -5.282 4.353 1.00 0.00 H new ATOM 373 N VAL A 40 -4.128 -3.143 2.739 1.00 0.00 N ATOM 374 CA VAL A 40 -2.716 -2.946 2.440 1.00 0.00 C ATOM 375 C VAL A 40 -2.172 -1.888 3.423 1.00 0.00 C ATOM 376 O VAL A 40 -2.831 -1.496 4.391 1.00 0.00 O ATOM 377 CB VAL A 40 -2.545 -2.625 0.940 1.00 0.00 C ATOM 378 CG1 VAL A 40 -1.112 -2.697 0.473 1.00 0.00 C ATOM 379 CG2 VAL A 40 -3.044 -3.714 0.018 1.00 0.00 C ATOM 0 H VAL A 40 -4.745 -2.390 2.433 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.117 -3.844 2.593 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.048 -1.660 0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.063 -2.461 -0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.511 -1.980 1.032 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.725 -3.702 0.639 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.889 -3.413 -1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.496 -4.636 0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.107 -3.879 0.192 1.00 0.00 H new ATOM 381 N GLU A 41 -0.969 -1.450 3.161 1.00 0.00 N ATOM 382 CA GLU A 41 -0.212 -0.468 3.951 1.00 0.00 C ATOM 383 C GLU A 41 0.384 0.620 3.108 1.00 0.00 C ATOM 384 O GLU A 41 0.085 1.755 3.456 1.00 0.00 O ATOM 385 CB GLU A 41 0.969 -1.063 4.667 1.00 0.00 C ATOM 386 CG GLU A 41 0.505 -1.840 5.865 1.00 0.00 C ATOM 387 CD GLU A 41 -0.215 -1.092 6.944 1.00 0.00 C ATOM 388 OE1 GLU A 41 -1.446 -0.915 6.815 1.00 0.00 O ATOM 389 OE2 GLU A 41 0.536 -0.810 7.894 1.00 0.00 O ATOM 0 H GLU A 41 -0.447 -1.777 2.348 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.959 -0.090 4.648 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.523 -1.716 3.992 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.652 -0.273 4.978 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.151 -2.637 5.514 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.376 -2.318 6.313 1.00 0.00 H new ATOM 391 N LEU A 42 1.099 0.243 2.037 1.00 0.00 N ATOM 392 CA LEU A 42 1.519 1.179 0.978 1.00 0.00 C ATOM 393 C LEU A 42 1.119 2.636 1.173 1.00 0.00 C ATOM 394 O LEU A 42 0.098 3.124 0.788 1.00 0.00 O ATOM 395 CB LEU A 42 0.997 0.665 -0.342 1.00 0.00 C ATOM 396 CG LEU A 42 -0.456 0.425 -0.658 1.00 0.00 C ATOM 397 CD1 LEU A 42 -1.286 0.352 0.569 1.00 0.00 C ATOM 398 CD2 LEU A 42 -0.950 1.707 -1.154 1.00 0.00 C ATOM 0 H LEU A 42 1.403 -0.718 1.879 1.00 0.00 H new ATOM 0 HA LEU A 42 2.608 1.202 1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.358 1.361 -1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.503 -0.285 -0.515 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.516 -0.464 -1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.326 0.178 0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.935 -0.466 1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.208 1.291 1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.006 1.616 -1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.826 2.468 -0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.387 1.995 -2.042 1.00 0.00 H new ATOM 400 N GLY A 43 1.859 3.250 2.031 1.00 0.00 N ATOM 401 CA GLY A 43 1.508 4.426 2.809 1.00 0.00 C ATOM 402 C GLY A 43 2.529 5.506 2.688 1.00 0.00 C ATOM 403 O GLY A 43 2.321 6.571 3.247 1.00 0.00 O ATOM 0 H GLY A 43 2.806 2.930 2.235 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.541 4.804 2.477 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.399 4.147 3.857 1.00 0.00 H new ATOM 405 N CYS A 44 3.684 4.970 2.324 1.00 0.00 N ATOM 406 CA CYS A 44 5.017 5.480 2.571 1.00 0.00 C ATOM 407 C CYS A 44 5.099 5.985 3.993 1.00 0.00 C ATOM 408 O CYS A 44 4.171 5.949 4.796 1.00 0.00 O ATOM 409 CB CYS A 44 5.355 6.410 1.439 1.00 0.00 C ATOM 410 SG CYS A 44 6.461 7.838 1.560 1.00 0.00 S ATOM 0 H CYS A 44 3.711 4.093 1.804 1.00 0.00 H new ATOM 0 HA CYS A 44 5.812 4.735 2.549 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.764 5.782 0.648 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.403 6.799 1.077 1.00 0.00 H new ATOM 412 N ALA A 45 6.335 6.192 4.352 1.00 0.00 N ATOM 413 CA ALA A 45 6.617 6.519 5.747 1.00 0.00 C ATOM 414 C ALA A 45 8.007 7.125 5.857 1.00 0.00 C ATOM 415 O ALA A 45 8.717 6.759 6.786 1.00 0.00 O ATOM 416 CB ALA A 45 6.469 5.246 6.607 1.00 0.00 C ATOM 0 H ALA A 45 7.146 6.146 3.735 1.00 0.00 H new ATOM 0 HA ALA A 45 5.906 7.258 6.117 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.679 5.485 7.650 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.452 4.864 6.520 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.172 4.489 6.260 1.00 0.00 H new ATOM 418 N ALA A 46 8.395 7.920 4.847 1.00 0.00 N ATOM 419 CA ALA A 46 9.686 8.647 4.746 1.00 0.00 C ATOM 420 C ALA A 46 10.273 8.432 3.347 1.00 0.00 C ATOM 421 O ALA A 46 9.925 9.144 2.413 1.00 0.00 O ATOM 422 CB ALA A 46 10.768 8.331 5.809 1.00 0.00 C ATOM 0 H ALA A 46 7.796 8.086 4.039 1.00 0.00 H new ATOM 0 HA ALA A 46 9.422 9.686 4.944 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.656 8.932 5.614 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.382 8.565 6.801 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.028 7.274 5.760 1.00 0.00 H new ATOM 424 N THR A 47 11.110 7.406 3.214 1.00 0.00 N ATOM 425 CA THR A 47 11.781 7.082 1.944 1.00 0.00 C ATOM 426 C THR A 47 11.724 5.577 1.701 1.00 0.00 C ATOM 427 O THR A 47 12.760 4.958 1.527 1.00 0.00 O ATOM 428 CB THR A 47 13.235 7.613 1.959 1.00 0.00 C ATOM 429 OG1 THR A 47 13.181 9.036 2.010 1.00 0.00 O ATOM 430 CG2 THR A 47 14.106 7.249 0.746 1.00 0.00 C ATOM 0 H THR A 47 11.346 6.773 3.978 1.00 0.00 H new ATOM 0 HA THR A 47 11.264 7.572 1.119 1.00 0.00 H new ATOM 0 HB THR A 47 13.700 7.139 2.823 1.00 0.00 H new ATOM 0 HG1 THR A 47 14.092 9.398 2.022 1.00 0.00 H new ATOM 0 HG21 THR A 47 15.101 7.676 0.871 1.00 0.00 H new ATOM 0 HG22 THR A 47 14.184 6.165 0.667 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.651 7.647 -0.161 1.00 0.00 H new ATOM 433 N CYS A 48 10.552 4.958 1.867 1.00 0.00 N ATOM 434 CA CYS A 48 10.404 3.502 1.613 1.00 0.00 C ATOM 435 C CYS A 48 11.612 2.752 2.202 1.00 0.00 C ATOM 436 O CYS A 48 12.594 2.475 1.505 1.00 0.00 O ATOM 437 CB CYS A 48 10.304 3.133 0.114 1.00 0.00 C ATOM 438 SG CYS A 48 9.685 1.423 -0.169 1.00 0.00 S ATOM 0 H CYS A 48 9.697 5.424 2.171 1.00 0.00 H new ATOM 0 HA CYS A 48 9.467 3.211 2.088 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.641 3.840 -0.385 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.286 3.238 -0.346 1.00 0.00 H new ATOM 440 N PRO A 49 11.596 2.544 3.521 1.00 0.00 N ATOM 441 CA PRO A 49 12.717 1.890 4.205 1.00 0.00 C ATOM 442 C PRO A 49 12.874 0.422 3.778 1.00 0.00 C ATOM 443 O PRO A 49 13.625 -0.310 4.412 1.00 0.00 O ATOM 444 CB PRO A 49 12.375 2.046 5.686 1.00 0.00 C ATOM 445 CG PRO A 49 10.845 2.065 5.722 1.00 0.00 C ATOM 446 CD PRO A 49 10.443 2.750 4.418 1.00 0.00 C ATOM 0 HA PRO A 49 13.682 2.334 3.960 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.776 1.222 6.276 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.794 2.965 6.096 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.436 1.056 5.783 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.475 2.612 6.589 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.535 2.312 4.004 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.244 3.811 4.572 1.00 0.00 H new ATOM 447 N SER A 50 12.030 -0.008 2.831 1.00 0.00 N ATOM 448 CA SER A 50 11.990 -1.369 2.267 1.00 0.00 C ATOM 449 C SER A 50 11.175 -2.274 3.173 1.00 0.00 C ATOM 450 O SER A 50 10.231 -2.888 2.686 1.00 0.00 O ATOM 451 CB SER A 50 13.357 -2.033 2.081 1.00 0.00 C ATOM 452 OG SER A 50 14.115 -1.279 1.142 1.00 0.00 O ATOM 0 H SER A 50 11.327 0.605 2.418 1.00 0.00 H new ATOM 0 HA SER A 50 11.548 -1.246 1.278 1.00 0.00 H new ATOM 0 HB2 SER A 50 13.883 -2.085 3.034 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.233 -3.057 1.729 1.00 0.00 H new ATOM 0 HG SER A 50 14.993 -1.697 1.019 1.00 0.00 H new ATOM 455 N LYS A 51 11.425 -2.158 4.483 1.00 0.00 N ATOM 456 CA LYS A 51 10.764 -2.958 5.527 1.00 0.00 C ATOM 457 C LYS A 51 11.243 -4.409 5.417 1.00 0.00 C ATOM 458 O LYS A 51 12.440 -4.677 5.411 1.00 0.00 O ATOM 459 CB LYS A 51 9.242 -2.853 5.397 1.00 0.00 C ATOM 460 CG LYS A 51 8.786 -1.411 5.397 1.00 0.00 C ATOM 461 CD LYS A 51 7.308 -1.495 5.123 1.00 0.00 C ATOM 462 CE LYS A 51 6.541 -1.797 6.413 1.00 0.00 C ATOM 463 NZ LYS A 51 5.095 -1.703 6.135 1.00 0.00 N ATOM 0 H LYS A 51 12.104 -1.494 4.856 1.00 0.00 H new ATOM 0 HA LYS A 51 11.029 -2.576 6.513 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.920 -3.338 4.476 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.767 -3.386 6.221 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.988 -0.929 6.354 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.301 -0.830 4.632 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.957 -0.556 4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.112 -2.273 4.386 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.792 -2.793 6.778 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.823 -1.091 7.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.567 -2.232 6.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.802 -0.705 6.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.895 -2.105 5.197 1.00 0.00 H new ATOM 468 N LYS A 52 10.286 -5.320 5.455 1.00 0.00 N ATOM 469 CA LYS A 52 10.537 -6.750 5.405 1.00 0.00 C ATOM 470 C LYS A 52 9.766 -7.404 4.258 1.00 0.00 C ATOM 471 O LYS A 52 8.979 -6.730 3.598 1.00 0.00 O ATOM 472 CB LYS A 52 10.112 -7.263 6.777 1.00 0.00 C ATOM 473 CG LYS A 52 11.193 -6.919 7.790 1.00 0.00 C ATOM 474 CD LYS A 52 10.867 -7.633 9.087 1.00 0.00 C ATOM 475 CE LYS A 52 11.801 -7.119 10.172 1.00 0.00 C ATOM 476 NZ LYS A 52 11.531 -7.840 11.417 1.00 0.00 N ATOM 0 H LYS A 52 9.296 -5.083 5.523 1.00 0.00 H new ATOM 0 HA LYS A 52 11.581 -6.991 5.204 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.164 -6.812 7.070 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.956 -8.341 6.744 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.172 -7.227 7.422 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.237 -5.842 7.949 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.829 -7.455 9.366 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.984 -8.710 8.966 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.839 -7.261 9.873 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.655 -6.049 10.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.167 -7.493 12.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.543 -7.682 11.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.691 -8.857 11.271 1.00 0.00 H new ATOM 481 N PRO A 53 10.007 -8.701 4.039 1.00 0.00 N ATOM 482 CA PRO A 53 9.316 -9.474 3.007 1.00 0.00 C ATOM 483 C PRO A 53 7.859 -9.678 3.423 1.00 0.00 C ATOM 484 O PRO A 53 7.000 -8.947 2.935 1.00 0.00 O ATOM 485 CB PRO A 53 10.140 -10.761 2.896 1.00 0.00 C ATOM 486 CG PRO A 53 10.714 -10.976 4.296 1.00 0.00 C ATOM 487 CD PRO A 53 10.993 -9.551 4.746 1.00 0.00 C ATOM 0 HA PRO A 53 9.254 -8.994 2.030 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.520 -11.603 2.589 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.932 -10.661 2.154 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.006 -11.480 4.954 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.620 -11.582 4.277 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.888 -9.455 5.827 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.012 -9.256 4.498 1.00 0.00 H new ATOM 488 N TYR A 54 7.654 -10.535 4.431 1.00 0.00 N ATOM 489 CA TYR A 54 6.336 -10.958 4.952 1.00 0.00 C ATOM 490 C TYR A 54 5.322 -11.004 3.797 1.00 0.00 C ATOM 491 O TYR A 54 5.737 -11.153 2.666 1.00 0.00 O ATOM 492 CB TYR A 54 5.955 -9.996 6.085 1.00 0.00 C ATOM 493 CG TYR A 54 4.589 -10.319 6.699 1.00 0.00 C ATOM 494 CD1 TYR A 54 4.430 -11.495 7.422 1.00 0.00 C ATOM 495 CD2 TYR A 54 3.488 -9.535 6.379 1.00 0.00 C ATOM 496 CE1 TYR A 54 3.170 -11.885 7.838 1.00 0.00 C ATOM 497 CE2 TYR A 54 2.220 -9.936 6.783 1.00 0.00 C ATOM 498 CZ TYR A 54 2.079 -11.106 7.506 1.00 0.00 C ATOM 499 OH TYR A 54 0.861 -11.433 7.965 1.00 0.00 O ATOM 0 H TYR A 54 8.428 -10.973 4.930 1.00 0.00 H new ATOM 0 HA TYR A 54 6.355 -11.965 5.368 1.00 0.00 H new ATOM 0 HB2 TYR A 54 6.717 -10.037 6.863 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.945 -8.976 5.702 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.290 -12.104 7.659 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.616 -8.620 5.820 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.041 -12.788 8.416 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.354 -9.340 6.535 1.00 0.00 H new ATOM 0 HH TYR A 54 0.643 -10.875 8.740 1.00 0.00 H new ATOM 506 N GLU A 55 4.034 -10.899 4.118 1.00 0.00 N ATOM 507 CA GLU A 55 2.920 -10.804 3.172 1.00 0.00 C ATOM 508 C GLU A 55 3.355 -10.175 1.836 1.00 0.00 C ATOM 509 O GLU A 55 3.976 -10.809 0.996 1.00 0.00 O ATOM 510 CB GLU A 55 1.804 -9.977 3.826 1.00 0.00 C ATOM 511 CG GLU A 55 0.446 -10.490 3.417 1.00 0.00 C ATOM 512 CD GLU A 55 0.379 -10.345 1.913 1.00 0.00 C ATOM 513 OE1 GLU A 55 0.056 -9.199 1.546 1.00 0.00 O ATOM 514 OE2 GLU A 55 0.732 -11.301 1.191 1.00 0.00 O ATOM 0 H GLU A 55 3.722 -10.877 5.089 1.00 0.00 H new ATOM 0 HA GLU A 55 2.561 -11.807 2.940 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.902 -10.020 4.911 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.904 -8.931 3.538 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.317 -11.531 3.714 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.348 -9.920 3.899 1.00 0.00 H new ATOM 516 N GLU A 56 2.930 -8.947 1.598 1.00 0.00 N ATOM 517 CA GLU A 56 3.253 -8.260 0.353 1.00 0.00 C ATOM 518 C GLU A 56 4.014 -7.016 0.724 1.00 0.00 C ATOM 519 O GLU A 56 3.766 -6.458 1.785 1.00 0.00 O ATOM 520 CB GLU A 56 1.985 -7.884 -0.397 1.00 0.00 C ATOM 521 CG GLU A 56 1.327 -9.127 -0.992 1.00 0.00 C ATOM 522 CD GLU A 56 2.145 -9.736 -2.109 1.00 0.00 C ATOM 523 OE1 GLU A 56 3.028 -10.560 -1.796 1.00 0.00 O ATOM 524 OE2 GLU A 56 1.877 -9.302 -3.246 1.00 0.00 O ATOM 0 H GLU A 56 2.361 -8.403 2.247 1.00 0.00 H new ATOM 0 HA GLU A 56 3.842 -8.906 -0.298 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.290 -7.386 0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.221 -7.175 -1.191 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.181 -9.869 -0.206 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.339 -8.865 -1.370 1.00 0.00 H new ATOM 526 N VAL A 57 4.855 -6.600 -0.206 1.00 0.00 N ATOM 527 CA VAL A 57 5.748 -5.437 -0.037 1.00 0.00 C ATOM 528 C VAL A 57 6.223 -5.057 -1.447 1.00 0.00 C ATOM 529 O VAL A 57 5.895 -5.712 -2.430 1.00 0.00 O ATOM 530 CB VAL A 57 6.969 -5.787 0.855 1.00 0.00 C ATOM 531 CG1 VAL A 57 8.051 -4.714 1.015 1.00 0.00 C ATOM 532 CG2 VAL A 57 6.565 -5.997 2.295 1.00 0.00 C ATOM 0 H VAL A 57 4.948 -7.056 -1.114 1.00 0.00 H new ATOM 0 HA VAL A 57 5.223 -4.617 0.453 1.00 0.00 H new ATOM 0 HB VAL A 57 7.353 -6.656 0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.844 -5.090 1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.466 -4.468 0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.614 -3.820 1.459 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.446 -6.240 2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.108 -5.086 2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.849 -6.817 2.356 1.00 0.00 H new ATOM 534 N THR A 58 6.937 -3.944 -1.491 1.00 0.00 N ATOM 535 CA THR A 58 7.605 -3.419 -2.699 1.00 0.00 C ATOM 536 C THR A 58 8.250 -2.071 -2.332 1.00 0.00 C ATOM 537 O THR A 58 8.342 -1.742 -1.157 1.00 0.00 O ATOM 538 CB THR A 58 6.555 -3.311 -3.808 1.00 0.00 C ATOM 539 OG1 THR A 58 7.051 -2.774 -5.025 1.00 0.00 O ATOM 540 CG2 THR A 58 5.502 -2.359 -3.352 1.00 0.00 C ATOM 0 H THR A 58 7.080 -3.355 -0.671 1.00 0.00 H new ATOM 0 HA THR A 58 8.398 -4.071 -3.065 1.00 0.00 H new ATOM 0 HB THR A 58 6.202 -4.326 -3.993 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.328 -2.737 -5.685 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.739 -2.263 -4.125 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.045 -2.733 -2.436 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.951 -1.384 -3.162 1.00 0.00 H new ATOM 543 N CYS A 59 8.375 -1.219 -3.349 1.00 0.00 N ATOM 544 CA CYS A 59 9.000 0.105 -3.292 1.00 0.00 C ATOM 545 C CYS A 59 9.023 0.686 -4.705 1.00 0.00 C ATOM 546 O CYS A 59 9.737 0.220 -5.590 1.00 0.00 O ATOM 547 CB CYS A 59 10.442 0.009 -2.772 1.00 0.00 C ATOM 548 SG CYS A 59 10.700 -0.172 -0.967 1.00 0.00 S ATOM 0 H CYS A 59 8.027 -1.443 -4.281 1.00 0.00 H new ATOM 0 HA CYS A 59 8.429 0.740 -2.615 1.00 0.00 H new ATOM 0 HB2 CYS A 59 10.917 -0.840 -3.263 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.973 0.904 -3.096 1.00 0.00 H new ATOM 550 N CYS A 60 8.151 1.661 -4.909 1.00 0.00 N ATOM 551 CA CYS A 60 8.108 2.355 -6.201 1.00 0.00 C ATOM 552 C CYS A 60 8.567 3.775 -5.990 1.00 0.00 C ATOM 553 O CYS A 60 9.162 4.039 -4.941 1.00 0.00 O ATOM 554 CB CYS A 60 6.695 2.291 -6.739 1.00 0.00 C ATOM 555 SG CYS A 60 6.316 0.506 -6.897 1.00 0.00 S ATOM 0 H CYS A 60 7.475 1.989 -4.219 1.00 0.00 H new ATOM 0 HA CYS A 60 8.767 1.886 -6.932 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.995 2.783 -6.064 1.00 0.00 H new ATOM 0 HB3 CYS A 60 6.618 2.796 -7.702 1.00 0.00 H new ATOM 557 N SER A 61 8.119 4.656 -6.901 1.00 0.00 N ATOM 558 CA SER A 61 8.562 6.052 -6.977 1.00 0.00 C ATOM 559 C SER A 61 8.555 6.683 -8.361 1.00 0.00 C ATOM 560 O SER A 61 9.475 7.368 -8.815 1.00 0.00 O ATOM 561 CB SER A 61 10.010 6.108 -6.592 1.00 0.00 C ATOM 562 OG SER A 61 11.028 5.450 -7.301 1.00 0.00 O ATOM 0 H SER A 61 7.430 4.412 -7.613 1.00 0.00 H new ATOM 0 HA SER A 61 7.859 6.585 -6.336 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.282 7.163 -6.574 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.068 5.746 -5.565 1.00 0.00 H new ATOM 0 HG SER A 61 11.069 5.800 -8.215 1.00 0.00 H new ATOM 565 N THR A 62 7.467 6.438 -9.046 1.00 0.00 N ATOM 566 CA THR A 62 7.360 6.923 -10.431 1.00 0.00 C ATOM 567 C THR A 62 5.984 7.527 -10.632 1.00 0.00 C ATOM 568 O THR A 62 5.385 7.238 -11.653 1.00 0.00 O ATOM 569 CB THR A 62 7.663 5.789 -11.442 1.00 0.00 C ATOM 570 OG1 THR A 62 9.029 5.426 -11.286 1.00 0.00 O ATOM 571 CG2 THR A 62 7.499 6.098 -12.940 1.00 0.00 C ATOM 0 H THR A 62 6.658 5.924 -8.697 1.00 0.00 H new ATOM 0 HA THR A 62 8.106 7.697 -10.613 1.00 0.00 H new ATOM 0 HB THR A 62 6.922 5.026 -11.204 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.250 4.707 -11.914 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.746 5.211 -13.524 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.468 6.389 -13.141 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.167 6.913 -13.219 1.00 0.00 H new ATOM 574 N ASP A 63 5.450 8.205 -9.608 1.00 0.00 N ATOM 575 CA ASP A 63 4.092 8.799 -9.625 1.00 0.00 C ATOM 576 C ASP A 63 3.158 7.966 -8.759 1.00 0.00 C ATOM 577 O ASP A 63 2.079 8.444 -8.456 1.00 0.00 O ATOM 578 CB ASP A 63 3.450 8.856 -11.020 1.00 0.00 C ATOM 579 CG ASP A 63 2.254 9.727 -11.212 1.00 0.00 C ATOM 580 OD1 ASP A 63 1.166 9.213 -10.883 1.00 0.00 O ATOM 581 OD2 ASP A 63 2.510 10.838 -11.713 1.00 0.00 O ATOM 0 H ASP A 63 5.948 8.362 -8.732 1.00 0.00 H new ATOM 0 HA ASP A 63 4.221 9.818 -9.259 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.215 9.181 -11.725 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.170 7.840 -11.299 1.00 0.00 H new ATOM 583 N LYS A 64 3.431 6.681 -8.603 1.00 0.00 N ATOM 584 CA LYS A 64 2.584 5.764 -7.826 1.00 0.00 C ATOM 585 C LYS A 64 3.064 4.349 -8.075 1.00 0.00 C ATOM 586 O LYS A 64 3.986 4.186 -8.869 1.00 0.00 O ATOM 587 CB LYS A 64 1.148 5.833 -8.319 1.00 0.00 C ATOM 588 CG LYS A 64 0.187 5.131 -7.395 1.00 0.00 C ATOM 589 CD LYS A 64 -1.111 5.517 -8.008 1.00 0.00 C ATOM 590 CE LYS A 64 -2.013 4.295 -7.844 1.00 0.00 C ATOM 591 NZ LYS A 64 -3.358 4.468 -7.736 1.00 0.00 N ATOM 0 H LYS A 64 4.251 6.232 -9.012 1.00 0.00 H new ATOM 0 HA LYS A 64 2.638 6.039 -6.773 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.852 6.877 -8.421 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.086 5.386 -9.311 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.336 4.051 -7.385 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.277 5.475 -6.365 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.536 6.389 -7.512 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.988 5.777 -9.059 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.835 3.640 -8.697 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.680 3.759 -6.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.690 4.055 -6.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.580 5.484 -7.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.834 3.998 -8.532 1.00 0.00 H new ATOM 596 N CYS A 65 2.519 3.442 -7.252 1.00 0.00 N ATOM 597 CA CYS A 65 2.670 1.988 -7.384 1.00 0.00 C ATOM 598 C CYS A 65 2.330 1.298 -6.077 1.00 0.00 C ATOM 599 O CYS A 65 3.151 0.706 -5.378 1.00 0.00 O ATOM 600 CB CYS A 65 4.108 1.740 -7.667 1.00 0.00 C ATOM 601 SG CYS A 65 4.678 0.079 -8.027 1.00 0.00 S ATOM 0 H CYS A 65 1.944 3.709 -6.453 1.00 0.00 H new ATOM 0 HA CYS A 65 2.012 1.609 -8.166 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.385 2.368 -8.514 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.674 2.097 -6.807 1.00 0.00 H new ATOM 603 N ASN A 66 1.132 1.647 -5.673 1.00 0.00 N ATOM 604 CA ASN A 66 0.559 1.080 -4.469 1.00 0.00 C ATOM 605 C ASN A 66 -0.960 1.074 -4.561 1.00 0.00 C ATOM 606 O ASN A 66 -1.631 1.571 -3.673 1.00 0.00 O ATOM 607 CB ASN A 66 1.220 1.862 -3.344 1.00 0.00 C ATOM 608 CG ASN A 66 0.809 3.302 -3.341 1.00 0.00 C ATOM 609 OD1 ASN A 66 0.000 3.910 -2.655 1.00 0.00 O ATOM 610 ND2 ASN A 66 1.370 3.882 -4.325 1.00 0.00 N ATOM 0 H ASN A 66 0.535 2.318 -6.156 1.00 0.00 H new ATOM 0 HA ASN A 66 0.756 0.023 -4.291 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.960 1.409 -2.387 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.303 1.795 -3.444 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.145 4.853 -4.541 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.045 3.376 -4.898 1.00 0.00 H new ATOM 614 N PRO A 67 -1.508 0.593 -5.664 1.00 0.00 N ATOM 615 CA PRO A 67 -2.939 0.546 -5.902 1.00 0.00 C ATOM 616 C PRO A 67 -3.649 -0.392 -4.965 1.00 0.00 C ATOM 617 O PRO A 67 -3.222 -0.566 -3.832 1.00 0.00 O ATOM 618 CB PRO A 67 -3.152 0.493 -7.401 1.00 0.00 C ATOM 619 CG PRO A 67 -1.973 -0.375 -7.800 1.00 0.00 C ATOM 620 CD PRO A 67 -0.853 0.002 -6.840 1.00 0.00 C ATOM 0 HA PRO A 67 -3.477 1.448 -5.610 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.109 0.047 -7.671 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.119 1.480 -7.862 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.219 -1.434 -7.720 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.682 -0.192 -8.835 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.267 -0.874 -6.561 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.166 0.711 -7.301 1.00 0.00 H new ATOM 621 N HIS A 68 -4.831 -0.794 -5.437 1.00 0.00 N ATOM 622 CA HIS A 68 -5.607 -1.814 -4.748 1.00 0.00 C ATOM 623 C HIS A 68 -6.940 -1.998 -5.465 1.00 0.00 C ATOM 624 O HIS A 68 -7.681 -1.027 -5.623 1.00 0.00 O ATOM 625 CB HIS A 68 -5.788 -1.403 -3.289 1.00 0.00 C ATOM 626 CG HIS A 68 -6.650 -2.275 -2.435 1.00 0.00 C ATOM 627 ND1 HIS A 68 -7.746 -1.827 -1.929 1.00 0.00 N ATOM 628 CD2 HIS A 68 -6.733 -3.603 -2.457 1.00 0.00 C ATOM 629 CE1 HIS A 68 -8.615 -2.733 -1.822 1.00 0.00 C ATOM 630 NE2 HIS A 68 -7.962 -3.837 -2.079 1.00 0.00 N ATOM 0 H HIS A 68 -5.264 -0.430 -6.286 1.00 0.00 H new ATOM 0 HA HIS A 68 -5.088 -2.773 -4.762 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -4.801 -1.349 -2.829 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.204 -0.396 -3.271 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.968 -4.317 -2.724 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -9.661 -2.623 -1.575 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -8.365 -4.770 -1.994 1.00 0.00 H new ATOM 633 N PRO A 69 -7.172 -3.233 -5.917 1.00 0.00 N ATOM 634 CA PRO A 69 -8.410 -3.595 -6.618 1.00 0.00 C ATOM 635 C PRO A 69 -9.566 -3.648 -5.621 1.00 0.00 C ATOM 636 O PRO A 69 -9.387 -3.179 -4.508 1.00 0.00 O ATOM 637 CB PRO A 69 -8.083 -4.960 -7.222 1.00 0.00 C ATOM 638 CG PRO A 69 -7.087 -5.587 -6.246 1.00 0.00 C ATOM 639 CD PRO A 69 -6.273 -4.396 -5.754 1.00 0.00 C ATOM 0 HA PRO A 69 -8.723 -2.885 -7.384 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -8.978 -5.573 -7.323 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -7.652 -4.859 -8.218 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -7.594 -6.093 -5.425 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.457 -6.329 -6.737 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.975 -4.523 -4.713 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -5.359 -4.274 -6.335 1.00 0.00 H new ATOM 640 N LYS A 70 -10.699 -4.210 -6.033 1.00 0.00 N ATOM 641 CA LYS A 70 -11.894 -4.400 -5.191 1.00 0.00 C ATOM 642 C LYS A 70 -12.312 -3.047 -4.605 1.00 0.00 C ATOM 643 O LYS A 70 -13.048 -2.296 -5.248 1.00 0.00 O ATOM 644 CB LYS A 70 -11.621 -5.446 -4.100 1.00 0.00 C ATOM 645 CG LYS A 70 -12.913 -5.754 -3.350 1.00 0.00 C ATOM 646 CD LYS A 70 -12.607 -6.618 -2.136 1.00 0.00 C ATOM 647 CE LYS A 70 -13.911 -6.956 -1.425 1.00 0.00 C ATOM 648 NZ LYS A 70 -13.617 -7.692 -0.194 1.00 0.00 N ATOM 0 H LYS A 70 -10.823 -4.557 -6.984 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.719 -4.781 -5.792 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.222 -6.357 -4.547 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.866 -5.075 -3.407 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.393 -4.827 -3.037 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.613 -6.269 -4.008 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.098 -7.532 -2.443 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.935 -6.091 -1.459 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.459 -6.043 -1.194 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.549 -7.554 -2.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.379 -7.534 0.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.547 -8.708 -0.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.716 -7.358 0.203 1.00 0.00 H new ATOM 653 N GLN A 71 -11.750 -2.720 -3.449 1.00 0.00 N ATOM 654 CA GLN A 71 -11.969 -1.418 -2.826 1.00 0.00 C ATOM 655 C GLN A 71 -13.452 -1.335 -2.467 1.00 0.00 C ATOM 656 O GLN A 71 -14.112 -2.347 -2.217 1.00 0.00 O ATOM 657 CB GLN A 71 -11.519 -0.256 -3.730 1.00 0.00 C ATOM 658 CG GLN A 71 -10.005 -0.154 -3.867 1.00 0.00 C ATOM 659 CD GLN A 71 -9.336 0.403 -2.609 1.00 0.00 C ATOM 660 OE1 GLN A 71 -9.892 0.567 -1.542 1.00 0.00 O ATOM 661 NE2 GLN A 71 -8.046 0.620 -2.693 1.00 0.00 N ATOM 0 H GLN A 71 -11.136 -3.340 -2.921 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.360 -1.323 -1.927 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.959 -0.382 -4.719 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.905 0.680 -3.327 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.596 -1.141 -4.085 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.763 0.485 -4.716 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.563 0.487 -3.582 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.525 0.922 -1.870 1.00 0.00 H new ATOM 665 N ARG A 72 -13.870 -0.110 -2.219 1.00 0.00 N ATOM 666 CA ARG A 72 -15.264 0.168 -1.893 1.00 0.00 C ATOM 667 C ARG A 72 -15.643 1.496 -2.508 1.00 0.00 C ATOM 668 O ARG A 72 -15.042 2.525 -2.179 1.00 0.00 O ATOM 669 CB ARG A 72 -15.526 0.220 -0.396 1.00 0.00 C ATOM 670 CG ARG A 72 -16.986 0.323 -0.001 1.00 0.00 C ATOM 671 CD ARG A 72 -17.111 0.094 1.499 1.00 0.00 C ATOM 672 NE ARG A 72 -16.316 1.059 2.281 1.00 0.00 N ATOM 673 CZ ARG A 72 -15.729 0.788 3.445 1.00 0.00 C ATOM 674 NH1 ARG A 72 -15.840 -0.407 4.014 1.00 0.00 N ATOM 675 NH2 ARG A 72 -15.043 1.738 4.063 1.00 0.00 N ATOM 0 H ARG A 72 -13.268 0.713 -2.236 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.866 -0.648 -2.293 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.104 -0.675 0.062 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -14.992 1.074 0.021 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.379 1.304 -0.266 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -17.576 -0.415 -0.545 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -18.159 0.170 1.790 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -16.786 -0.919 1.738 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.208 2.000 1.904 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -16.384 -1.140 3.559 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -15.381 -0.592 4.906 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -14.968 2.666 3.647 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -14.589 1.541 4.955 1.00 0.00 H new ATOM 682 N PRO A 73 -16.728 1.443 -3.282 1.00 0.00 N ATOM 683 CA PRO A 73 -17.299 2.631 -3.921 1.00 0.00 C ATOM 684 C PRO A 73 -18.073 3.509 -2.914 1.00 0.00 C ATOM 685 O PRO A 73 -19.146 4.021 -3.210 1.00 0.00 O ATOM 686 CB PRO A 73 -18.168 2.031 -5.029 1.00 0.00 C ATOM 687 CG PRO A 73 -18.655 0.698 -4.460 1.00 0.00 C ATOM 688 CD PRO A 73 -17.470 0.211 -3.638 1.00 0.00 C ATOM 0 HA PRO A 73 -16.557 3.324 -4.319 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -19.004 2.686 -5.275 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -17.596 1.885 -5.946 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -19.546 0.825 -3.845 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -18.912 -0.007 -5.251 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -17.799 -0.324 -2.747 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -16.846 -0.476 -4.210 1.00 0.00 H new ATOM 689 N GLY A 74 -17.490 3.657 -1.716 1.00 0.00 N ATOM 690 CA GLY A 74 -18.113 4.397 -0.598 1.00 0.00 C ATOM 691 C GLY A 74 -17.503 4.040 0.767 1.00 0.00 C ATOM 692 O GLY A 74 -16.297 3.701 0.791 1.00 0.00 O ATOM 693 OXT GLY A 74 -18.272 4.055 1.749 1.00 99.99 O ATOM 0 H GLY A 74 -16.574 3.269 -1.490 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -18.003 5.468 -0.771 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -19.182 4.185 -0.579 1.00 0.00 H new TER 695 GLY A 74