USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 396 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 33 ASN : amide:sc= -1.17! C(o=-1.1!,f=-7.3!) USER MOD Set 1.2: A 36 ASN : amide:sc= 0.078 X(o=-1.1,f=-1.6) USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= -0.363 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 30:sc= -0.484 USER MOD Single : A 13 LYS NZ :NH3+ -128:sc= -0.287 (180deg=-1.22) USER MOD Single : A 17 THR OG1 : rot -158:sc= -0.449! USER MOD Single : A 20 TYR OH : rot 150:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -2.28! C(o=-2.3!,f=-4.5!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 150:sc= -0.0706 USER MOD Single : A 31 TYR OH : rot 165:sc= -1.16! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0.0044 X(o=0.0044,f=-0.021) USER MOD Single : A 44 SER OG : rot -38:sc= 0.166 USER MOD Single : A 45 ASN : amide:sc= -5.77! C(o=-5.8!,f=-6.5!) USER MOD Single : A 47 THR OG1 : rot -38:sc= 0.115 USER MOD Single : A 49 THR OG1 : rot -25:sc= 0.372! USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -8.94! C(o=-8.9!,f=-12!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 10.614 10.249 -7.057 1.00 0.00 N ATOM 2 CA LEU A 1 9.512 9.964 -6.095 1.00 0.00 C ATOM 3 C LEU A 1 10.096 9.741 -4.699 1.00 0.00 C ATOM 4 O LEU A 1 9.994 8.668 -4.136 1.00 0.00 O ATOM 5 CB LEU A 1 8.757 8.709 -6.540 1.00 0.00 C ATOM 6 CG LEU A 1 7.283 8.832 -6.146 1.00 0.00 C ATOM 7 CD1 LEU A 1 7.180 9.282 -4.688 1.00 0.00 C ATOM 8 CD2 LEU A 1 6.600 9.862 -7.049 1.00 0.00 C ATOM 0 H1 LEU A 1 10.216 10.400 -8.006 1.00 0.00 H new ATOM 0 H2 LEU A 1 11.126 11.103 -6.756 1.00 0.00 H new ATOM 0 H3 LEU A 1 11.270 9.443 -7.082 1.00 0.00 H new ATOM 0 HA LEU A 1 8.826 10.810 -6.069 1.00 0.00 H new ATOM 0 HB2 LEU A 1 8.846 8.582 -7.619 1.00 0.00 H new ATOM 0 HB3 LEU A 1 9.195 7.825 -6.077 1.00 0.00 H new ATOM 0 HG LEU A 1 6.793 7.865 -6.262 1.00 0.00 H new ATOM 0 HD11 LEU A 1 6.130 9.370 -4.408 1.00 0.00 H new ATOM 0 HD12 LEU A 1 7.667 8.549 -4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 1 7.669 10.249 -4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 1 5.550 9.951 -6.770 1.00 0.00 H new ATOM 0 HD22 LEU A 1 7.090 10.829 -6.933 1.00 0.00 H new ATOM 0 HD23 LEU A 1 6.673 9.540 -8.088 1.00 0.00 H new ATOM 22 N ALA A 2 10.709 10.745 -4.134 1.00 0.00 N ATOM 23 CA ALA A 2 11.300 10.590 -2.775 1.00 0.00 C ATOM 24 C ALA A 2 10.373 11.231 -1.738 1.00 0.00 C ATOM 25 O ALA A 2 10.747 12.156 -1.044 1.00 0.00 O ATOM 26 CB ALA A 2 12.667 11.277 -2.733 1.00 0.00 C ATOM 0 H ALA A 2 10.826 11.667 -4.555 1.00 0.00 H new ATOM 0 HA ALA A 2 11.419 9.530 -2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 2 13.100 11.164 -1.739 1.00 0.00 H new ATOM 0 HB2 ALA A 2 13.327 10.820 -3.471 1.00 0.00 H new ATOM 0 HB3 ALA A 2 12.549 12.337 -2.959 1.00 0.00 H new ATOM 32 N ALA A 3 9.164 10.749 -1.629 1.00 0.00 N ATOM 33 CA ALA A 3 8.215 11.332 -0.639 1.00 0.00 C ATOM 34 C ALA A 3 7.835 10.269 0.395 1.00 0.00 C ATOM 35 O ALA A 3 8.455 9.228 0.487 1.00 0.00 O ATOM 36 CB ALA A 3 6.955 11.810 -1.362 1.00 0.00 C ATOM 0 H ALA A 3 8.793 9.977 -2.183 1.00 0.00 H new ATOM 0 HA ALA A 3 8.689 12.175 -0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 3 6.260 12.237 -0.639 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.223 12.568 -2.098 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.482 10.967 -1.865 1.00 0.00 H new ATOM 42 N VAL A 4 6.819 10.524 1.174 1.00 0.00 N ATOM 43 CA VAL A 4 6.398 9.528 2.201 1.00 0.00 C ATOM 44 C VAL A 4 5.268 8.663 1.641 1.00 0.00 C ATOM 45 O VAL A 4 4.135 8.750 2.069 1.00 0.00 O ATOM 46 CB VAL A 4 5.908 10.259 3.452 1.00 0.00 C ATOM 47 CG1 VAL A 4 5.599 9.240 4.551 1.00 0.00 C ATOM 48 CG2 VAL A 4 6.997 11.217 3.939 1.00 0.00 C ATOM 0 H VAL A 4 6.262 11.378 1.144 1.00 0.00 H new ATOM 0 HA VAL A 4 7.246 8.894 2.460 1.00 0.00 H new ATOM 0 HB VAL A 4 5.005 10.822 3.214 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.250 9.761 5.442 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.825 8.555 4.205 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.502 8.677 4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.650 11.739 4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.898 10.652 4.177 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.219 11.943 3.157 1.00 0.00 H new ATOM 58 N SER A 5 5.571 7.828 0.686 1.00 0.00 N ATOM 59 CA SER A 5 4.518 6.955 0.094 1.00 0.00 C ATOM 60 C SER A 5 5.186 5.854 -0.731 1.00 0.00 C ATOM 61 O SER A 5 6.357 5.929 -1.046 1.00 0.00 O ATOM 62 CB SER A 5 3.609 7.791 -0.808 1.00 0.00 C ATOM 63 OG SER A 5 4.087 9.130 -0.845 1.00 0.00 O ATOM 0 H SER A 5 6.504 7.712 0.289 1.00 0.00 H new ATOM 0 HA SER A 5 3.922 6.507 0.889 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.590 7.371 -1.814 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.585 7.768 -0.434 1.00 0.00 H new ATOM 0 HG SER A 5 3.507 9.668 -1.424 1.00 0.00 H new ATOM 69 N VAL A 6 4.456 4.831 -1.084 1.00 0.00 N ATOM 70 CA VAL A 6 5.065 3.735 -1.886 1.00 0.00 C ATOM 71 C VAL A 6 4.739 3.940 -3.368 1.00 0.00 C ATOM 72 O VAL A 6 3.783 4.602 -3.718 1.00 0.00 O ATOM 73 CB VAL A 6 4.515 2.384 -1.417 1.00 0.00 C ATOM 74 CG1 VAL A 6 3.099 2.179 -1.962 1.00 0.00 C ATOM 75 CG2 VAL A 6 5.423 1.263 -1.929 1.00 0.00 C ATOM 0 H VAL A 6 3.470 4.708 -0.853 1.00 0.00 H new ATOM 0 HA VAL A 6 6.146 3.748 -1.750 1.00 0.00 H new ATOM 0 HB VAL A 6 4.485 2.367 -0.328 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.715 1.216 -1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.450 2.976 -1.599 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.122 2.198 -3.052 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.035 0.300 -1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.452 1.287 -3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.430 1.403 -1.537 1.00 0.00 H new ATOM 85 N ASP A 7 5.529 3.375 -4.239 1.00 0.00 N ATOM 86 CA ASP A 7 5.269 3.534 -5.698 1.00 0.00 C ATOM 87 C ASP A 7 4.313 2.436 -6.169 1.00 0.00 C ATOM 88 O ASP A 7 4.580 1.260 -6.014 1.00 0.00 O ATOM 89 CB ASP A 7 6.590 3.421 -6.462 1.00 0.00 C ATOM 90 CG ASP A 7 6.562 4.352 -7.675 1.00 0.00 C ATOM 91 OD1 ASP A 7 6.234 5.514 -7.499 1.00 0.00 O ATOM 92 OD2 ASP A 7 6.871 3.888 -8.761 1.00 0.00 O ATOM 0 H ASP A 7 6.344 2.809 -4.003 1.00 0.00 H new ATOM 0 HA ASP A 7 4.820 4.510 -5.885 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.423 3.683 -5.809 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.749 2.392 -6.784 1.00 0.00 H new ATOM 97 N CYS A 8 3.200 2.806 -6.742 1.00 0.00 N ATOM 98 CA CYS A 8 2.234 1.777 -7.219 1.00 0.00 C ATOM 99 C CYS A 8 2.475 1.492 -8.704 1.00 0.00 C ATOM 100 O CYS A 8 1.616 0.978 -9.393 1.00 0.00 O ATOM 101 CB CYS A 8 0.806 2.281 -7.030 1.00 0.00 C ATOM 102 SG CYS A 8 0.167 1.678 -5.455 1.00 0.00 S ATOM 0 H CYS A 8 2.919 3.774 -6.900 1.00 0.00 H new ATOM 0 HA CYS A 8 2.376 0.863 -6.643 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.787 3.371 -7.051 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.174 1.935 -7.848 1.00 0.00 H new ATOM 107 N SER A 9 3.634 1.826 -9.205 1.00 0.00 N ATOM 108 CA SER A 9 3.924 1.578 -10.647 1.00 0.00 C ATOM 109 C SER A 9 4.173 0.086 -10.873 1.00 0.00 C ATOM 110 O SER A 9 4.079 -0.411 -11.978 1.00 0.00 O ATOM 111 CB SER A 9 5.164 2.370 -11.061 1.00 0.00 C ATOM 112 OG SER A 9 4.876 3.108 -12.240 1.00 0.00 O ATOM 0 H SER A 9 4.392 2.260 -8.678 1.00 0.00 H new ATOM 0 HA SER A 9 3.071 1.896 -11.247 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.463 3.045 -10.259 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.000 1.693 -11.237 1.00 0.00 H new ATOM 0 HG SER A 9 5.668 3.619 -12.508 1.00 0.00 H new ATOM 118 N GLU A 10 4.486 -0.630 -9.832 1.00 0.00 N ATOM 119 CA GLU A 10 4.739 -2.092 -9.977 1.00 0.00 C ATOM 120 C GLU A 10 3.551 -2.867 -9.405 1.00 0.00 C ATOM 121 O GLU A 10 3.712 -3.856 -8.719 1.00 0.00 O ATOM 122 CB GLU A 10 6.011 -2.466 -9.213 1.00 0.00 C ATOM 123 CG GLU A 10 7.160 -1.561 -9.660 1.00 0.00 C ATOM 124 CD GLU A 10 7.072 -0.223 -8.925 1.00 0.00 C ATOM 125 OE1 GLU A 10 6.508 -0.199 -7.843 1.00 0.00 O ATOM 126 OE2 GLU A 10 7.572 0.756 -9.456 1.00 0.00 O ATOM 0 H GLU A 10 4.578 -0.267 -8.883 1.00 0.00 H new ATOM 0 HA GLU A 10 4.864 -2.341 -11.031 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.848 -2.361 -8.140 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.264 -3.510 -9.396 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.117 -2.040 -9.451 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.112 -1.400 -10.737 1.00 0.00 H new ATOM 133 N TYR A 11 2.358 -2.415 -9.679 1.00 0.00 N ATOM 134 CA TYR A 11 1.153 -3.098 -9.158 1.00 0.00 C ATOM 135 C TYR A 11 0.103 -3.164 -10.280 1.00 0.00 C ATOM 136 O TYR A 11 0.223 -2.480 -11.276 1.00 0.00 O ATOM 137 CB TYR A 11 0.633 -2.293 -7.962 1.00 0.00 C ATOM 138 CG TYR A 11 1.468 -2.630 -6.745 1.00 0.00 C ATOM 139 CD1 TYR A 11 1.205 -3.785 -5.996 1.00 0.00 C ATOM 140 CD2 TYR A 11 2.511 -1.780 -6.371 1.00 0.00 C ATOM 141 CE1 TYR A 11 1.991 -4.084 -4.871 1.00 0.00 C ATOM 142 CE2 TYR A 11 3.294 -2.077 -5.249 1.00 0.00 C ATOM 143 CZ TYR A 11 3.034 -3.229 -4.499 1.00 0.00 C ATOM 144 OH TYR A 11 3.807 -3.522 -3.394 1.00 0.00 O ATOM 0 H TYR A 11 2.171 -1.591 -10.250 1.00 0.00 H new ATOM 0 HA TYR A 11 1.377 -4.114 -8.834 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.688 -1.225 -8.173 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.415 -2.527 -7.777 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.399 -4.444 -6.283 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.714 -0.891 -6.949 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.790 -4.974 -4.293 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.099 -1.417 -4.962 1.00 0.00 H new ATOM 0 HH TYR A 11 3.851 -4.494 -3.274 1.00 0.00 H new ATOM 154 N PRO A 12 -0.880 -4.002 -10.090 1.00 0.00 N ATOM 155 CA PRO A 12 -1.011 -4.821 -8.881 1.00 0.00 C ATOM 156 C PRO A 12 -0.228 -6.131 -9.028 1.00 0.00 C ATOM 157 O PRO A 12 -0.132 -6.695 -10.100 1.00 0.00 O ATOM 158 CB PRO A 12 -2.517 -5.093 -8.807 1.00 0.00 C ATOM 159 CG PRO A 12 -3.068 -4.918 -10.248 1.00 0.00 C ATOM 160 CD PRO A 12 -1.961 -4.220 -11.066 1.00 0.00 C ATOM 0 HA PRO A 12 -0.619 -4.336 -7.987 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.712 -6.100 -8.437 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.003 -4.401 -8.119 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.321 -5.884 -10.685 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.980 -4.321 -10.243 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.628 -4.841 -11.898 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.311 -3.279 -11.490 1.00 0.00 H new ATOM 168 N LYS A 13 0.328 -6.619 -7.951 1.00 0.00 N ATOM 169 CA LYS A 13 1.103 -7.892 -8.010 1.00 0.00 C ATOM 170 C LYS A 13 0.209 -9.048 -7.538 1.00 0.00 C ATOM 171 O LYS A 13 -0.481 -8.921 -6.547 1.00 0.00 O ATOM 172 CB LYS A 13 2.316 -7.779 -7.089 1.00 0.00 C ATOM 173 CG LYS A 13 3.287 -6.737 -7.647 1.00 0.00 C ATOM 174 CD LYS A 13 4.546 -6.700 -6.780 1.00 0.00 C ATOM 175 CE LYS A 13 5.781 -6.884 -7.663 1.00 0.00 C ATOM 176 NZ LYS A 13 5.952 -5.687 -8.533 1.00 0.00 N ATOM 0 H LYS A 13 0.278 -6.188 -7.028 1.00 0.00 H new ATOM 0 HA LYS A 13 1.434 -8.080 -9.032 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.999 -7.495 -6.086 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.813 -8.746 -7.004 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.548 -6.982 -8.677 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.814 -5.755 -7.663 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.605 -5.751 -6.247 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.504 -7.487 -6.027 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.666 -7.026 -7.043 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.673 -7.779 -8.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.047 -5.989 -9.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.122 -5.067 -8.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.807 -5.168 -8.246 1.00 0.00 H new ATOM 190 N PRO A 14 0.231 -10.139 -8.269 1.00 0.00 N ATOM 191 CA PRO A 14 -0.591 -11.323 -7.949 1.00 0.00 C ATOM 192 C PRO A 14 0.066 -12.168 -6.857 1.00 0.00 C ATOM 193 O PRO A 14 -0.295 -13.307 -6.636 1.00 0.00 O ATOM 194 CB PRO A 14 -0.641 -12.087 -9.272 1.00 0.00 C ATOM 195 CG PRO A 14 0.588 -11.626 -10.091 1.00 0.00 C ATOM 196 CD PRO A 14 1.056 -10.289 -9.488 1.00 0.00 C ATOM 0 HA PRO A 14 -1.579 -11.064 -7.568 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.611 -13.163 -9.100 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.566 -11.875 -9.808 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.384 -12.370 -10.044 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.327 -11.504 -11.142 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.120 -10.309 -9.250 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.899 -9.462 -10.181 1.00 0.00 H new ATOM 204 N ALA A 15 1.024 -11.618 -6.175 1.00 0.00 N ATOM 205 CA ALA A 15 1.707 -12.385 -5.094 1.00 0.00 C ATOM 206 C ALA A 15 2.257 -11.412 -4.047 1.00 0.00 C ATOM 207 O ALA A 15 3.007 -10.509 -4.360 1.00 0.00 O ATOM 208 CB ALA A 15 2.855 -13.199 -5.695 1.00 0.00 C ATOM 0 H ALA A 15 1.368 -10.668 -6.317 1.00 0.00 H new ATOM 0 HA ALA A 15 0.995 -13.060 -4.619 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.355 -13.760 -4.906 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.460 -13.892 -6.438 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.569 -12.526 -6.170 1.00 0.00 H new ATOM 214 N CYS A 16 1.887 -11.586 -2.807 1.00 0.00 N ATOM 215 CA CYS A 16 2.385 -10.669 -1.743 1.00 0.00 C ATOM 216 C CYS A 16 3.173 -11.467 -0.706 1.00 0.00 C ATOM 217 O CYS A 16 2.724 -12.489 -0.226 1.00 0.00 O ATOM 218 CB CYS A 16 1.198 -9.987 -1.059 1.00 0.00 C ATOM 219 SG CYS A 16 0.072 -9.348 -2.320 1.00 0.00 S ATOM 0 H CYS A 16 1.261 -12.324 -2.485 1.00 0.00 H new ATOM 0 HA CYS A 16 3.032 -9.915 -2.192 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.677 -10.696 -0.415 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.548 -9.175 -0.422 1.00 0.00 H new ATOM 224 N THR A 17 4.340 -11.005 -0.345 1.00 0.00 N ATOM 225 CA THR A 17 5.141 -11.741 0.671 1.00 0.00 C ATOM 226 C THR A 17 4.377 -11.733 1.993 1.00 0.00 C ATOM 227 O THR A 17 3.222 -11.361 2.047 1.00 0.00 O ATOM 228 CB THR A 17 6.500 -11.059 0.856 1.00 0.00 C ATOM 229 OG1 THR A 17 6.330 -9.647 0.814 1.00 0.00 O ATOM 230 CG2 THR A 17 7.449 -11.505 -0.260 1.00 0.00 C ATOM 0 H THR A 17 4.770 -10.154 -0.708 1.00 0.00 H new ATOM 0 HA THR A 17 5.305 -12.767 0.341 1.00 0.00 H new ATOM 0 HB THR A 17 6.924 -11.340 1.820 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.183 -9.221 0.589 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.417 -11.021 -0.130 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.576 -12.587 -0.219 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.030 -11.226 -1.227 1.00 0.00 H new ATOM 238 N LEU A 18 5.004 -12.140 3.060 1.00 0.00 N ATOM 239 CA LEU A 18 4.293 -12.149 4.366 1.00 0.00 C ATOM 240 C LEU A 18 4.945 -11.159 5.331 1.00 0.00 C ATOM 241 O LEU A 18 4.376 -10.816 6.348 1.00 0.00 O ATOM 242 CB LEU A 18 4.327 -13.553 4.971 1.00 0.00 C ATOM 243 CG LEU A 18 4.185 -14.596 3.860 1.00 0.00 C ATOM 244 CD1 LEU A 18 5.558 -15.179 3.522 1.00 0.00 C ATOM 245 CD2 LEU A 18 3.258 -15.716 4.337 1.00 0.00 C ATOM 0 H LEU A 18 5.971 -12.464 3.084 1.00 0.00 H new ATOM 0 HA LEU A 18 3.257 -11.853 4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.263 -13.705 5.509 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.521 -13.667 5.696 1.00 0.00 H new ATOM 0 HG LEU A 18 3.766 -14.126 2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.453 -15.921 2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.219 -14.381 3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.981 -15.651 4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.153 -16.462 3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.680 -16.184 5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.279 -15.301 4.576 1.00 0.00 H new ATOM 257 N GLU A 19 6.123 -10.684 5.024 1.00 0.00 N ATOM 258 CA GLU A 19 6.776 -9.705 5.929 1.00 0.00 C ATOM 259 C GLU A 19 5.734 -8.661 6.305 1.00 0.00 C ATOM 260 O GLU A 19 5.051 -8.113 5.463 1.00 0.00 O ATOM 261 CB GLU A 19 7.959 -9.041 5.226 1.00 0.00 C ATOM 262 CG GLU A 19 7.496 -8.441 3.902 1.00 0.00 C ATOM 263 CD GLU A 19 8.122 -9.221 2.744 1.00 0.00 C ATOM 264 OE1 GLU A 19 8.424 -10.388 2.937 1.00 0.00 O ATOM 265 OE2 GLU A 19 8.291 -8.639 1.686 1.00 0.00 O ATOM 0 H GLU A 19 6.655 -10.932 4.190 1.00 0.00 H new ATOM 0 HA GLU A 19 7.155 -10.204 6.820 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.382 -8.263 5.861 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.747 -9.773 5.049 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.409 -8.478 3.834 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.784 -7.391 3.845 1.00 0.00 H new ATOM 272 N TYR A 20 5.569 -8.429 7.563 1.00 0.00 N ATOM 273 CA TYR A 20 4.522 -7.469 8.009 1.00 0.00 C ATOM 274 C TYR A 20 5.033 -6.034 8.048 1.00 0.00 C ATOM 275 O TYR A 20 6.005 -5.701 8.697 1.00 0.00 O ATOM 276 CB TYR A 20 4.015 -7.865 9.387 1.00 0.00 C ATOM 277 CG TYR A 20 2.688 -7.193 9.649 1.00 0.00 C ATOM 278 CD1 TYR A 20 1.696 -7.189 8.658 1.00 0.00 C ATOM 279 CD2 TYR A 20 2.446 -6.579 10.883 1.00 0.00 C ATOM 280 CE1 TYR A 20 0.465 -6.569 8.900 1.00 0.00 C ATOM 281 CE2 TYR A 20 1.214 -5.959 11.127 1.00 0.00 C ATOM 282 CZ TYR A 20 0.224 -5.954 10.135 1.00 0.00 C ATOM 283 OH TYR A 20 -0.989 -5.342 10.377 1.00 0.00 O ATOM 0 H TYR A 20 6.112 -8.860 8.311 1.00 0.00 H new ATOM 0 HA TYR A 20 3.711 -7.511 7.282 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.905 -8.948 9.448 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.738 -7.575 10.149 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.882 -7.665 7.707 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.209 -6.583 11.647 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.298 -6.565 8.136 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.027 -5.485 12.079 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.197 -5.395 11.333 1.00 0.00 H new ATOM 293 N ARG A 21 4.328 -5.192 7.363 1.00 0.00 N ATOM 294 CA ARG A 21 4.651 -3.739 7.312 1.00 0.00 C ATOM 295 C ARG A 21 3.396 -3.030 6.801 1.00 0.00 C ATOM 296 O ARG A 21 3.277 -2.775 5.623 1.00 0.00 O ATOM 297 CB ARG A 21 5.818 -3.493 6.356 1.00 0.00 C ATOM 298 CG ARG A 21 5.636 -4.344 5.101 1.00 0.00 C ATOM 299 CD ARG A 21 6.267 -3.624 3.910 1.00 0.00 C ATOM 300 NE ARG A 21 7.554 -4.285 3.560 1.00 0.00 N ATOM 301 CZ ARG A 21 7.568 -5.265 2.700 1.00 0.00 C ATOM 302 NH1 ARG A 21 6.522 -6.035 2.575 1.00 0.00 N ATOM 303 NH2 ARG A 21 8.623 -5.471 1.961 1.00 0.00 N ATOM 0 H ARG A 21 3.510 -5.456 6.814 1.00 0.00 H new ATOM 0 HA ARG A 21 4.942 -3.366 8.294 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.867 -2.437 6.089 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.760 -3.742 6.844 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.100 -5.320 5.239 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.576 -4.518 4.916 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.590 -3.647 3.056 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.438 -2.575 4.153 1.00 0.00 H new ATOM 0 HE ARG A 21 8.423 -3.972 3.992 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.695 -5.870 3.149 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.531 -6.802 1.903 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.438 -4.865 2.056 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.633 -6.238 1.289 1.00 0.00 H new ATOM 317 N PRO A 22 2.477 -2.784 7.701 1.00 0.00 N ATOM 318 CA PRO A 22 1.167 -2.178 7.373 1.00 0.00 C ATOM 319 C PRO A 22 1.265 -0.747 6.874 1.00 0.00 C ATOM 320 O PRO A 22 1.916 0.085 7.461 1.00 0.00 O ATOM 321 CB PRO A 22 0.396 -2.238 8.698 1.00 0.00 C ATOM 322 CG PRO A 22 1.456 -2.388 9.808 1.00 0.00 C ATOM 323 CD PRO A 22 2.679 -3.042 9.142 1.00 0.00 C ATOM 0 HA PRO A 22 0.684 -2.712 6.555 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.196 -1.335 8.845 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.298 -3.079 8.707 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.715 -1.418 10.233 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.081 -3.004 10.625 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.611 -2.604 9.500 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.726 -4.110 9.354 1.00 0.00 H new ATOM 331 N LEU A 23 0.585 -0.447 5.798 1.00 0.00 N ATOM 332 CA LEU A 23 0.602 0.942 5.282 1.00 0.00 C ATOM 333 C LEU A 23 -0.829 1.471 5.314 1.00 0.00 C ATOM 334 O LEU A 23 -1.770 0.748 5.049 1.00 0.00 O ATOM 335 CB LEU A 23 1.146 0.945 3.863 1.00 0.00 C ATOM 336 CG LEU A 23 2.498 0.242 3.870 1.00 0.00 C ATOM 337 CD1 LEU A 23 2.367 -1.122 3.204 1.00 0.00 C ATOM 338 CD2 LEU A 23 3.511 1.086 3.110 1.00 0.00 C ATOM 0 H LEU A 23 0.022 -1.106 5.260 1.00 0.00 H new ATOM 0 HA LEU A 23 1.242 1.579 5.893 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.456 0.435 3.190 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.251 1.967 3.498 1.00 0.00 H new ATOM 0 HG LEU A 23 2.834 0.110 4.898 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.335 -1.624 3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.642 -1.725 3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.031 -0.994 2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.479 0.584 3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.175 1.219 2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.605 2.060 3.589 1.00 0.00 H new ATOM 350 N CYS A 24 -1.014 2.711 5.663 1.00 0.00 N ATOM 351 CA CYS A 24 -2.403 3.240 5.733 1.00 0.00 C ATOM 352 C CYS A 24 -2.743 4.026 4.477 1.00 0.00 C ATOM 353 O CYS A 24 -2.015 4.900 4.050 1.00 0.00 O ATOM 354 CB CYS A 24 -2.571 4.117 6.975 1.00 0.00 C ATOM 355 SG CYS A 24 -3.583 3.203 8.153 1.00 0.00 S ATOM 0 H CYS A 24 -0.276 3.374 5.900 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.091 2.397 5.803 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.600 4.357 7.409 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.046 5.063 6.715 1.00 0.00 H new ATOM 360 N GLY A 25 -3.860 3.711 3.888 1.00 0.00 N ATOM 361 CA GLY A 25 -4.285 4.416 2.661 1.00 0.00 C ATOM 362 C GLY A 25 -4.610 5.872 3.008 1.00 0.00 C ATOM 363 O GLY A 25 -4.311 6.339 4.090 1.00 0.00 O ATOM 0 H GLY A 25 -4.500 2.986 4.212 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.495 4.375 1.911 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.159 3.928 2.230 1.00 0.00 H new ATOM 367 N SER A 26 -5.234 6.591 2.111 1.00 0.00 N ATOM 368 CA SER A 26 -5.586 8.011 2.419 1.00 0.00 C ATOM 369 C SER A 26 -6.886 8.041 3.225 1.00 0.00 C ATOM 370 O SER A 26 -7.127 8.944 4.002 1.00 0.00 O ATOM 371 CB SER A 26 -5.783 8.798 1.122 1.00 0.00 C ATOM 372 OG SER A 26 -6.503 9.990 1.404 1.00 0.00 O ATOM 0 H SER A 26 -5.513 6.261 1.187 1.00 0.00 H new ATOM 0 HA SER A 26 -4.777 8.464 2.993 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.817 9.039 0.678 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.326 8.194 0.395 1.00 0.00 H new ATOM 0 HG SER A 26 -6.631 10.499 0.576 1.00 0.00 H new ATOM 378 N ASP A 27 -7.728 7.059 3.047 1.00 0.00 N ATOM 379 CA ASP A 27 -9.013 7.029 3.802 1.00 0.00 C ATOM 380 C ASP A 27 -8.747 6.621 5.255 1.00 0.00 C ATOM 381 O ASP A 27 -9.654 6.532 6.058 1.00 0.00 O ATOM 382 CB ASP A 27 -9.962 6.018 3.154 1.00 0.00 C ATOM 383 CG ASP A 27 -9.266 4.660 3.044 1.00 0.00 C ATOM 384 OD1 ASP A 27 -8.898 4.120 4.074 1.00 0.00 O ATOM 385 OD2 ASP A 27 -9.113 4.183 1.931 1.00 0.00 O ATOM 0 H ASP A 27 -7.581 6.276 2.411 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.467 8.020 3.782 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.871 5.925 3.748 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.261 6.366 2.165 1.00 0.00 H new ATOM 390 N ASN A 28 -7.509 6.378 5.598 1.00 0.00 N ATOM 391 CA ASN A 28 -7.175 5.982 6.995 1.00 0.00 C ATOM 392 C ASN A 28 -7.472 4.496 7.208 1.00 0.00 C ATOM 393 O ASN A 28 -7.915 4.087 8.262 1.00 0.00 O ATOM 394 CB ASN A 28 -7.995 6.816 7.981 1.00 0.00 C ATOM 395 CG ASN A 28 -8.067 8.263 7.490 1.00 0.00 C ATOM 396 OD1 ASN A 28 -7.219 8.706 6.741 1.00 0.00 O ATOM 397 ND2 ASN A 28 -9.051 9.023 7.884 1.00 0.00 N ATOM 0 H ASN A 28 -6.711 6.438 4.965 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.113 6.160 7.166 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -8.999 6.403 8.076 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -7.540 6.779 8.971 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.109 9.990 7.563 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.763 8.651 8.513 1.00 0.00 H new ATOM 404 N LYS A 29 -7.211 3.682 6.224 1.00 0.00 N ATOM 405 CA LYS A 29 -7.455 2.226 6.373 1.00 0.00 C ATOM 406 C LYS A 29 -6.105 1.514 6.479 1.00 0.00 C ATOM 407 O LYS A 29 -5.145 1.900 5.848 1.00 0.00 O ATOM 408 CB LYS A 29 -8.212 1.714 5.147 1.00 0.00 C ATOM 409 CG LYS A 29 -8.170 0.190 5.128 1.00 0.00 C ATOM 410 CD LYS A 29 -9.579 -0.360 4.901 1.00 0.00 C ATOM 411 CE LYS A 29 -9.576 -1.877 5.102 1.00 0.00 C ATOM 412 NZ LYS A 29 -9.757 -2.552 3.785 1.00 0.00 N ATOM 0 H LYS A 29 -6.837 3.967 5.319 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.047 2.032 7.267 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.245 2.060 5.173 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.765 2.113 4.237 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.502 -0.156 4.339 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.770 -0.184 6.070 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.279 0.107 5.594 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.917 -0.117 3.894 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.638 -2.192 5.559 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.376 -2.166 5.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.755 -3.583 3.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.663 -2.259 3.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.979 -2.285 3.148 1.00 0.00 H new ATOM 426 N THR A 30 -6.012 0.480 7.268 1.00 0.00 N ATOM 427 CA THR A 30 -4.707 -0.231 7.387 1.00 0.00 C ATOM 428 C THR A 30 -4.636 -1.343 6.346 1.00 0.00 C ATOM 429 O THR A 30 -5.623 -1.979 6.031 1.00 0.00 O ATOM 430 CB THR A 30 -4.564 -0.848 8.783 1.00 0.00 C ATOM 431 OG1 THR A 30 -4.448 0.187 9.750 1.00 0.00 O ATOM 432 CG2 THR A 30 -3.312 -1.737 8.824 1.00 0.00 C ATOM 0 H THR A 30 -6.773 0.099 7.830 1.00 0.00 H new ATOM 0 HA THR A 30 -3.902 0.486 7.225 1.00 0.00 H new ATOM 0 HB THR A 30 -5.443 -1.452 9.006 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.826 -0.117 10.602 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.210 -2.176 9.816 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.406 -2.532 8.084 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.431 -1.135 8.601 1.00 0.00 H new ATOM 440 N TYR A 31 -3.469 -1.604 5.835 1.00 0.00 N ATOM 441 CA TYR A 31 -3.316 -2.696 4.846 1.00 0.00 C ATOM 442 C TYR A 31 -2.231 -3.623 5.373 1.00 0.00 C ATOM 443 O TYR A 31 -1.235 -3.167 5.906 1.00 0.00 O ATOM 444 CB TYR A 31 -2.933 -2.143 3.469 1.00 0.00 C ATOM 445 CG TYR A 31 -4.138 -2.219 2.564 1.00 0.00 C ATOM 446 CD1 TYR A 31 -4.589 -3.458 2.104 1.00 0.00 C ATOM 447 CD2 TYR A 31 -4.808 -1.048 2.191 1.00 0.00 C ATOM 448 CE1 TYR A 31 -5.711 -3.531 1.270 1.00 0.00 C ATOM 449 CE2 TYR A 31 -5.931 -1.119 1.358 1.00 0.00 C ATOM 450 CZ TYR A 31 -6.382 -2.361 0.896 1.00 0.00 C ATOM 451 OH TYR A 31 -7.489 -2.433 0.076 1.00 0.00 O ATOM 0 H TYR A 31 -2.610 -1.103 6.063 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.257 -3.231 4.719 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.592 -1.112 3.558 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.107 -2.717 3.048 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.072 -4.361 2.392 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.459 -0.090 2.546 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.059 -4.490 0.915 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.449 -0.216 1.072 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.974 -1.582 0.105 1.00 0.00 H new ATOM 461 N GLY A 32 -2.430 -4.914 5.272 1.00 0.00 N ATOM 462 CA GLY A 32 -1.426 -5.864 5.820 1.00 0.00 C ATOM 463 C GLY A 32 -0.020 -5.361 5.525 1.00 0.00 C ATOM 464 O GLY A 32 0.819 -5.285 6.401 1.00 0.00 O ATOM 0 H GLY A 32 -3.244 -5.346 4.834 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.564 -5.972 6.896 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.568 -6.851 5.380 1.00 0.00 H new ATOM 468 N ASN A 33 0.244 -4.999 4.304 1.00 0.00 N ATOM 469 CA ASN A 33 1.596 -4.485 3.977 1.00 0.00 C ATOM 470 C ASN A 33 1.574 -3.760 2.635 1.00 0.00 C ATOM 471 O ASN A 33 0.531 -3.411 2.122 1.00 0.00 O ATOM 472 CB ASN A 33 2.607 -5.637 3.962 1.00 0.00 C ATOM 473 CG ASN A 33 2.075 -6.803 3.129 1.00 0.00 C ATOM 474 OD1 ASN A 33 0.883 -6.960 2.974 1.00 0.00 O ATOM 475 ND2 ASN A 33 2.924 -7.637 2.589 1.00 0.00 N ATOM 0 H ASN A 33 -0.413 -5.037 3.525 1.00 0.00 H new ATOM 0 HA ASN A 33 1.901 -3.772 4.743 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.556 -5.291 3.551 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.804 -5.970 4.981 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.584 -8.423 2.035 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.926 -7.502 2.722 1.00 0.00 H new ATOM 482 N LYS A 34 2.722 -3.489 2.089 1.00 0.00 N ATOM 483 CA LYS A 34 2.781 -2.740 0.810 1.00 0.00 C ATOM 484 C LYS A 34 1.947 -3.430 -0.276 1.00 0.00 C ATOM 485 O LYS A 34 1.181 -2.797 -0.968 1.00 0.00 O ATOM 486 CB LYS A 34 4.236 -2.646 0.352 1.00 0.00 C ATOM 487 CG LYS A 34 4.763 -4.047 0.034 1.00 0.00 C ATOM 488 CD LYS A 34 6.278 -3.982 -0.160 1.00 0.00 C ATOM 489 CE LYS A 34 6.617 -4.280 -1.621 1.00 0.00 C ATOM 490 NZ LYS A 34 7.637 -3.308 -2.105 1.00 0.00 N ATOM 0 H LYS A 34 3.627 -3.756 2.476 1.00 0.00 H new ATOM 0 HA LYS A 34 2.370 -1.744 0.973 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.310 -2.009 -0.530 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.844 -2.185 1.130 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.517 -4.734 0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.285 -4.433 -0.867 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.649 -2.995 0.117 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.770 -4.702 0.493 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.995 -5.298 -1.717 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.718 -4.215 -2.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.867 -3.512 -3.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.260 -2.342 -2.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.497 -3.391 -1.527 1.00 0.00 H new ATOM 504 N CYS A 35 2.109 -4.710 -0.458 1.00 0.00 N ATOM 505 CA CYS A 35 1.345 -5.410 -1.523 1.00 0.00 C ATOM 506 C CYS A 35 -0.162 -5.173 -1.377 1.00 0.00 C ATOM 507 O CYS A 35 -0.796 -4.654 -2.271 1.00 0.00 O ATOM 508 CB CYS A 35 1.627 -6.909 -1.464 1.00 0.00 C ATOM 509 SG CYS A 35 1.005 -7.686 -2.976 1.00 0.00 S ATOM 0 H CYS A 35 2.738 -5.301 0.086 1.00 0.00 H new ATOM 0 HA CYS A 35 1.666 -5.008 -2.484 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.698 -7.087 -1.362 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.146 -7.348 -0.590 1.00 0.00 H new ATOM 514 N ASN A 36 -0.753 -5.573 -0.284 1.00 0.00 N ATOM 515 CA ASN A 36 -2.227 -5.382 -0.140 1.00 0.00 C ATOM 516 C ASN A 36 -2.584 -3.891 -0.164 1.00 0.00 C ATOM 517 O ASN A 36 -3.680 -3.518 -0.532 1.00 0.00 O ATOM 518 CB ASN A 36 -2.716 -6.005 1.165 1.00 0.00 C ATOM 519 CG ASN A 36 -2.524 -7.516 1.094 1.00 0.00 C ATOM 520 OD1 ASN A 36 -3.442 -8.246 0.778 1.00 0.00 O ATOM 521 ND2 ASN A 36 -1.361 -8.014 1.373 1.00 0.00 N ATOM 0 H ASN A 36 -0.288 -6.018 0.507 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.717 -5.875 -0.979 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.163 -5.594 2.009 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.767 -5.766 1.326 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.214 -9.022 1.328 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.593 -7.398 1.638 1.00 0.00 H new ATOM 528 N PHE A 37 -1.680 -3.032 0.227 1.00 0.00 N ATOM 529 CA PHE A 37 -1.996 -1.574 0.220 1.00 0.00 C ATOM 530 C PHE A 37 -2.196 -1.095 -1.211 1.00 0.00 C ATOM 531 O PHE A 37 -3.231 -0.570 -1.580 1.00 0.00 O ATOM 532 CB PHE A 37 -0.839 -0.777 0.836 1.00 0.00 C ATOM 533 CG PHE A 37 -1.063 0.682 0.583 1.00 0.00 C ATOM 534 CD1 PHE A 37 -2.334 1.223 0.734 1.00 0.00 C ATOM 535 CD2 PHE A 37 -0.004 1.475 0.156 1.00 0.00 C ATOM 536 CE1 PHE A 37 -2.554 2.576 0.457 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.213 2.830 -0.118 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.493 3.380 0.030 1.00 0.00 C ATOM 0 H PHE A 37 -0.743 -3.275 0.549 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.905 -1.418 0.801 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.778 -0.968 1.907 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.109 -1.093 0.402 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.151 0.599 1.065 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.979 1.045 0.036 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.541 2.999 0.573 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.609 3.450 -0.443 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.660 4.425 -0.186 1.00 0.00 H new ATOM 548 N CYS A 38 -1.188 -1.246 -2.000 1.00 0.00 N ATOM 549 CA CYS A 38 -1.267 -0.784 -3.409 1.00 0.00 C ATOM 550 C CYS A 38 -2.401 -1.509 -4.121 1.00 0.00 C ATOM 551 O CYS A 38 -3.167 -0.899 -4.819 1.00 0.00 O ATOM 552 CB CYS A 38 0.050 -1.031 -4.148 1.00 0.00 C ATOM 553 SG CYS A 38 -0.072 -0.296 -5.789 1.00 0.00 S ATOM 0 H CYS A 38 -0.301 -1.673 -1.734 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.458 0.289 -3.407 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.882 -0.593 -3.597 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.247 -2.100 -4.225 1.00 0.00 H new ATOM 558 N ASN A 39 -2.541 -2.798 -3.944 1.00 0.00 N ATOM 559 CA ASN A 39 -3.662 -3.511 -4.616 1.00 0.00 C ATOM 560 C ASN A 39 -4.918 -2.652 -4.472 1.00 0.00 C ATOM 561 O ASN A 39 -5.788 -2.642 -5.318 1.00 0.00 O ATOM 562 CB ASN A 39 -3.864 -4.865 -3.944 1.00 0.00 C ATOM 563 CG ASN A 39 -3.299 -5.961 -4.836 1.00 0.00 C ATOM 564 OD1 ASN A 39 -3.829 -6.237 -5.893 1.00 0.00 O ATOM 565 ND2 ASN A 39 -2.238 -6.602 -4.452 1.00 0.00 N ATOM 0 H ASN A 39 -1.933 -3.381 -3.369 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.447 -3.675 -5.672 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.368 -4.879 -2.973 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.925 -5.039 -3.763 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.847 -7.339 -5.039 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.795 -6.368 -3.564 1.00 0.00 H new ATOM 572 N ALA A 40 -4.980 -1.890 -3.416 1.00 0.00 N ATOM 573 CA ALA A 40 -6.130 -0.977 -3.210 1.00 0.00 C ATOM 574 C ALA A 40 -5.953 0.205 -4.167 1.00 0.00 C ATOM 575 O ALA A 40 -6.847 0.566 -4.905 1.00 0.00 O ATOM 576 CB ALA A 40 -6.122 -0.480 -1.762 1.00 0.00 C ATOM 0 H ALA A 40 -4.273 -1.863 -2.681 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.076 -1.484 -3.402 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.965 0.192 -1.603 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.203 -1.330 -1.085 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.192 0.053 -1.565 1.00 0.00 H new ATOM 582 N VAL A 41 -4.784 0.791 -4.164 1.00 0.00 N ATOM 583 CA VAL A 41 -4.502 1.939 -5.081 1.00 0.00 C ATOM 584 C VAL A 41 -4.827 1.531 -6.525 1.00 0.00 C ATOM 585 O VAL A 41 -5.609 2.162 -7.202 1.00 0.00 O ATOM 586 CB VAL A 41 -3.013 2.287 -4.981 1.00 0.00 C ATOM 587 CG1 VAL A 41 -2.657 3.383 -5.991 1.00 0.00 C ATOM 588 CG2 VAL A 41 -2.700 2.770 -3.562 1.00 0.00 C ATOM 0 H VAL A 41 -4.006 0.522 -3.562 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.111 2.798 -4.801 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.422 1.399 -5.205 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.597 3.622 -5.910 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.874 3.032 -7.000 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.247 4.276 -5.782 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.641 3.018 -3.487 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.297 3.654 -3.339 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.939 1.981 -2.848 1.00 0.00 H new ATOM 598 N VAL A 42 -4.211 0.482 -6.994 1.00 0.00 N ATOM 599 CA VAL A 42 -4.442 -0.001 -8.383 1.00 0.00 C ATOM 600 C VAL A 42 -5.917 -0.360 -8.589 1.00 0.00 C ATOM 601 O VAL A 42 -6.425 -0.305 -9.691 1.00 0.00 O ATOM 602 CB VAL A 42 -3.574 -1.242 -8.606 1.00 0.00 C ATOM 603 CG1 VAL A 42 -2.112 -0.890 -8.354 1.00 0.00 C ATOM 604 CG2 VAL A 42 -3.984 -2.336 -7.628 1.00 0.00 C ATOM 0 H VAL A 42 -3.542 -0.073 -6.460 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.180 0.783 -9.093 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.706 -1.590 -9.631 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.493 -1.773 -8.512 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.804 -0.102 -9.041 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.993 -0.543 -7.328 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.365 -3.218 -7.789 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.850 -1.980 -6.607 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.031 -2.593 -7.788 1.00 0.00 H new ATOM 614 N GLU A 43 -6.612 -0.722 -7.545 1.00 0.00 N ATOM 615 CA GLU A 43 -8.051 -1.073 -7.703 1.00 0.00 C ATOM 616 C GLU A 43 -8.885 0.198 -7.568 1.00 0.00 C ATOM 617 O GLU A 43 -10.052 0.229 -7.903 1.00 0.00 O ATOM 618 CB GLU A 43 -8.465 -2.085 -6.630 1.00 0.00 C ATOM 619 CG GLU A 43 -9.479 -3.063 -7.219 1.00 0.00 C ATOM 620 CD GLU A 43 -10.063 -3.933 -6.104 1.00 0.00 C ATOM 621 OE1 GLU A 43 -10.412 -3.384 -5.072 1.00 0.00 O ATOM 622 OE2 GLU A 43 -10.153 -5.134 -6.301 1.00 0.00 O ATOM 0 H GLU A 43 -6.248 -0.790 -6.595 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.215 -1.520 -8.684 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.591 -2.625 -6.267 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.898 -1.567 -5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.276 -2.516 -7.722 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.000 -3.691 -7.970 1.00 0.00 H new ATOM 629 N SER A 44 -8.289 1.250 -7.082 1.00 0.00 N ATOM 630 CA SER A 44 -9.042 2.521 -6.931 1.00 0.00 C ATOM 631 C SER A 44 -8.526 3.554 -7.938 1.00 0.00 C ATOM 632 O SER A 44 -8.554 4.739 -7.687 1.00 0.00 O ATOM 633 CB SER A 44 -8.863 3.060 -5.513 1.00 0.00 C ATOM 634 OG SER A 44 -7.586 3.675 -5.404 1.00 0.00 O ATOM 0 H SER A 44 -7.314 1.283 -6.784 1.00 0.00 H new ATOM 0 HA SER A 44 -10.099 2.333 -7.117 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.648 3.781 -5.283 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.953 2.250 -4.789 1.00 0.00 H new ATOM 0 HG SER A 44 -6.928 3.154 -5.909 1.00 0.00 H new ATOM 640 N ASN A 45 -8.044 3.114 -9.070 1.00 0.00 N ATOM 641 CA ASN A 45 -7.516 4.070 -10.087 1.00 0.00 C ATOM 642 C ASN A 45 -6.638 5.109 -9.385 1.00 0.00 C ATOM 643 O ASN A 45 -6.851 6.300 -9.494 1.00 0.00 O ATOM 644 CB ASN A 45 -8.663 4.779 -10.825 1.00 0.00 C ATOM 645 CG ASN A 45 -9.814 5.080 -9.866 1.00 0.00 C ATOM 646 OD1 ASN A 45 -9.920 6.173 -9.347 1.00 0.00 O ATOM 647 ND2 ASN A 45 -10.687 4.149 -9.607 1.00 0.00 N ATOM 0 H ASN A 45 -7.993 2.130 -9.335 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.931 3.515 -10.820 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.300 5.706 -11.268 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -9.018 4.153 -11.643 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -11.460 4.338 -8.968 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -10.598 3.231 -10.043 1.00 0.00 H new ATOM 654 N GLY A 46 -5.654 4.648 -8.664 1.00 0.00 N ATOM 655 CA GLY A 46 -4.734 5.566 -7.929 1.00 0.00 C ATOM 656 C GLY A 46 -5.495 6.773 -7.387 1.00 0.00 C ATOM 657 O GLY A 46 -5.047 7.899 -7.475 1.00 0.00 O ATOM 0 H GLY A 46 -5.444 3.656 -8.550 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.258 5.031 -7.107 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.938 5.901 -8.594 1.00 0.00 H new ATOM 661 N THR A 47 -6.628 6.536 -6.794 1.00 0.00 N ATOM 662 CA THR A 47 -7.418 7.648 -6.200 1.00 0.00 C ATOM 663 C THR A 47 -7.362 7.510 -4.676 1.00 0.00 C ATOM 664 O THR A 47 -7.821 8.363 -3.942 1.00 0.00 O ATOM 665 CB THR A 47 -8.872 7.558 -6.671 1.00 0.00 C ATOM 666 OG1 THR A 47 -9.553 8.755 -6.324 1.00 0.00 O ATOM 667 CG2 THR A 47 -9.556 6.367 -5.998 1.00 0.00 C ATOM 0 H THR A 47 -7.045 5.611 -6.694 1.00 0.00 H new ATOM 0 HA THR A 47 -7.008 8.609 -6.509 1.00 0.00 H new ATOM 0 HB THR A 47 -8.897 7.424 -7.752 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.250 9.060 -5.443 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.591 6.304 -6.334 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.032 5.449 -6.263 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.533 6.498 -4.916 1.00 0.00 H new ATOM 675 N LEU A 48 -6.803 6.426 -4.205 1.00 0.00 N ATOM 676 CA LEU A 48 -6.701 6.184 -2.751 1.00 0.00 C ATOM 677 C LEU A 48 -5.476 6.919 -2.200 1.00 0.00 C ATOM 678 O LEU A 48 -5.589 7.896 -1.492 1.00 0.00 O ATOM 679 CB LEU A 48 -6.578 4.663 -2.568 1.00 0.00 C ATOM 680 CG LEU A 48 -5.800 4.302 -1.307 1.00 0.00 C ATOM 681 CD1 LEU A 48 -6.677 4.558 -0.091 1.00 0.00 C ATOM 682 CD2 LEU A 48 -5.425 2.822 -1.380 1.00 0.00 C ATOM 0 H LEU A 48 -6.407 5.688 -4.787 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.571 6.555 -2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.573 4.222 -2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.081 4.232 -3.437 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.897 4.907 -1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.127 4.302 0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.957 5.611 -0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.576 3.945 -0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.867 2.543 -0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.331 2.220 -1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.809 2.646 -2.262 1.00 0.00 H new ATOM 694 N THR A 49 -4.314 6.439 -2.518 1.00 0.00 N ATOM 695 CA THR A 49 -3.059 7.062 -2.029 1.00 0.00 C ATOM 696 C THR A 49 -3.034 7.020 -0.517 1.00 0.00 C ATOM 697 O THR A 49 -4.026 7.226 0.136 1.00 0.00 O ATOM 698 CB THR A 49 -2.951 8.496 -2.512 1.00 0.00 C ATOM 699 OG1 THR A 49 -3.815 9.336 -1.759 1.00 0.00 O ATOM 700 CG2 THR A 49 -3.325 8.543 -3.980 1.00 0.00 C ATOM 0 H THR A 49 -4.177 5.621 -3.111 1.00 0.00 H new ATOM 0 HA THR A 49 -2.209 6.504 -2.423 1.00 0.00 H new ATOM 0 HB THR A 49 -1.930 8.852 -2.379 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.553 8.804 -1.395 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.252 9.569 -4.341 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.646 7.908 -4.549 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.347 8.186 -4.107 1.00 0.00 H new ATOM 708 N LEU A 50 -1.906 6.713 0.028 1.00 0.00 N ATOM 709 CA LEU A 50 -1.779 6.597 1.504 1.00 0.00 C ATOM 710 C LEU A 50 -1.308 7.916 2.123 1.00 0.00 C ATOM 711 O LEU A 50 -0.847 8.812 1.443 1.00 0.00 O ATOM 712 CB LEU A 50 -0.810 5.434 1.770 1.00 0.00 C ATOM 713 CG LEU A 50 0.228 5.738 2.846 1.00 0.00 C ATOM 714 CD1 LEU A 50 0.674 4.408 3.430 1.00 0.00 C ATOM 715 CD2 LEU A 50 1.430 6.449 2.217 1.00 0.00 C ATOM 0 H LEU A 50 -1.046 6.533 -0.491 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.741 6.391 1.973 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.383 4.556 2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.296 5.181 0.843 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.192 6.382 3.618 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.419 4.583 4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.185 3.894 3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.108 3.792 2.642 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.170 6.665 2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.875 5.807 1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.102 7.382 1.758 1.00 0.00 H new ATOM 727 N SER A 51 -1.436 8.032 3.419 1.00 0.00 N ATOM 728 CA SER A 51 -1.021 9.272 4.118 1.00 0.00 C ATOM 729 C SER A 51 0.233 8.971 4.922 1.00 0.00 C ATOM 730 O SER A 51 1.099 9.805 5.095 1.00 0.00 O ATOM 731 CB SER A 51 -2.121 9.701 5.095 1.00 0.00 C ATOM 732 OG SER A 51 -2.245 11.117 5.083 1.00 0.00 O ATOM 0 H SER A 51 -1.817 7.306 4.026 1.00 0.00 H new ATOM 0 HA SER A 51 -0.840 10.063 3.390 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.069 9.241 4.816 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.883 9.355 6.101 1.00 0.00 H new ATOM 0 HG SER A 51 -2.950 11.389 5.707 1.00 0.00 H new ATOM 738 N HIS A 52 0.315 7.779 5.437 1.00 0.00 N ATOM 739 CA HIS A 52 1.489 7.405 6.260 1.00 0.00 C ATOM 740 C HIS A 52 1.669 5.889 6.249 1.00 0.00 C ATOM 741 O HIS A 52 0.783 5.146 5.878 1.00 0.00 O ATOM 742 CB HIS A 52 1.239 7.856 7.691 1.00 0.00 C ATOM 743 CG HIS A 52 0.070 7.083 8.239 1.00 0.00 C ATOM 744 ND1 HIS A 52 0.155 6.369 9.422 1.00 0.00 N ATOM 745 CD2 HIS A 52 -1.213 6.886 7.773 1.00 0.00 C ATOM 746 CE1 HIS A 52 -1.037 5.783 9.627 1.00 0.00 C ATOM 747 NE2 HIS A 52 -1.907 6.068 8.657 1.00 0.00 N ATOM 0 H HIS A 52 -0.385 7.046 5.321 1.00 0.00 H new ATOM 0 HA HIS A 52 2.384 7.879 5.857 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.125 7.686 8.302 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.033 8.926 7.720 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.616 7.303 6.862 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.264 5.156 10.476 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -2.874 5.753 8.580 1.00 0.00 H new ATOM 755 N PHE A 53 2.810 5.433 6.672 1.00 0.00 N ATOM 756 CA PHE A 53 3.071 3.968 6.710 1.00 0.00 C ATOM 757 C PHE A 53 2.485 3.373 7.997 1.00 0.00 C ATOM 758 O PHE A 53 1.741 4.019 8.708 1.00 0.00 O ATOM 759 CB PHE A 53 4.582 3.725 6.676 1.00 0.00 C ATOM 760 CG PHE A 53 5.120 4.064 5.305 1.00 0.00 C ATOM 761 CD1 PHE A 53 4.962 5.356 4.788 1.00 0.00 C ATOM 762 CD2 PHE A 53 5.779 3.086 4.551 1.00 0.00 C ATOM 763 CE1 PHE A 53 5.462 5.668 3.519 1.00 0.00 C ATOM 764 CE2 PHE A 53 6.279 3.398 3.281 1.00 0.00 C ATOM 765 CZ PHE A 53 6.120 4.690 2.766 1.00 0.00 C ATOM 0 H PHE A 53 3.581 6.016 6.996 1.00 0.00 H new ATOM 0 HA PHE A 53 2.603 3.492 5.849 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.076 4.335 7.432 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.798 2.684 6.915 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.454 6.112 5.369 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.902 2.090 4.949 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.340 6.664 3.121 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.787 2.643 2.699 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.506 4.932 1.787 1.00 0.00 H new ATOM 775 N GLY A 54 2.815 2.145 8.298 1.00 0.00 N ATOM 776 CA GLY A 54 2.281 1.498 9.531 1.00 0.00 C ATOM 777 C GLY A 54 0.752 1.451 9.472 1.00 0.00 C ATOM 778 O GLY A 54 0.147 1.701 8.449 1.00 0.00 O ATOM 0 H GLY A 54 3.435 1.559 7.739 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.682 0.489 9.626 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.603 2.053 10.412 1.00 0.00 H new ATOM 782 N LYS A 55 0.127 1.157 10.580 1.00 0.00 N ATOM 783 CA LYS A 55 -1.363 1.118 10.626 1.00 0.00 C ATOM 784 C LYS A 55 -1.877 2.506 11.009 1.00 0.00 C ATOM 785 O LYS A 55 -1.130 3.349 11.462 1.00 0.00 O ATOM 786 CB LYS A 55 -1.831 0.097 11.670 1.00 0.00 C ATOM 787 CG LYS A 55 -0.773 -0.996 11.845 1.00 0.00 C ATOM 788 CD LYS A 55 -1.430 -2.256 12.416 1.00 0.00 C ATOM 789 CE LYS A 55 -1.238 -2.291 13.934 1.00 0.00 C ATOM 790 NZ LYS A 55 -1.264 -3.705 14.406 1.00 0.00 N ATOM 0 H LYS A 55 0.589 0.940 11.463 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.751 0.827 9.650 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.012 0.595 12.622 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.776 -0.347 11.358 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.304 -1.220 10.887 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.016 -0.650 12.513 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.493 -2.266 12.173 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.991 -3.145 11.963 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.290 -1.824 14.202 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.025 -1.718 14.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.134 -3.729 15.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.179 -4.135 14.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.498 -4.238 13.948 1.00 0.00 H new ATOM 804 N CYS A 56 -3.139 2.755 10.812 1.00 0.00 N ATOM 805 CA CYS A 56 -3.702 4.096 11.136 1.00 0.00 C ATOM 806 C CYS A 56 -3.757 4.292 12.652 1.00 0.00 C ATOM 807 O CYS A 56 -4.782 3.977 13.234 1.00 0.00 O ATOM 808 CB CYS A 56 -5.107 4.206 10.548 1.00 0.00 C ATOM 809 SG CYS A 56 -4.965 4.536 8.777 1.00 0.00 S ATOM 810 OXT CYS A 56 -2.774 4.755 13.205 1.00 0.00 O ATOM 0 H CYS A 56 -3.810 2.084 10.438 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.064 4.868 10.707 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.662 3.283 10.718 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.661 5.006 11.039 1.00 0.00 H new TER 815 CYS A 56