USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=14 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 17 THR OG1 : rot 180:sc= -1.92! USER MOD Set 1.2: A 33 ASN : amide:sc= -3.53! C(o=-5.3!,f=-6!) USER MOD Set 1.3: A 36 ASN : amide:sc= 0.147 X(o=-5.3,f=-5.6) USER MOD Set 2.1: A 26 SER OG : rot -47:sc= 0.0112 USER MOD Set 2.2: A 51 SER OG : rot 113:sc= 0.143 USER MOD Single : A 1 LEU N :NH3+ 134:sc= -0.264 (180deg=-1.72!) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0352 USER MOD Single : A 9 SER OG : rot -51:sc= 0.152 USER MOD Single : A 11 TYR OH : rot 180:sc= -0.183 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -4.55! C(o=-4.5!,f=-6.6!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0817 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 146:sc= -0.0317 (180deg=-1.11) USER MOD Single : A 39 ASN : amide:sc= -4.71! C(o=-4.7!,f=-12!) USER MOD Single : A 44 SER OG : rot -87:sc= 1.08 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 47 THR OG1 : rot -21:sc= 0.714! USER MOD Single : A 49 THR OG1 : rot 16:sc= -4.18! USER MOD Single : A 52 HIS : no HD1:sc= -12.8! C(o=-13!,f=-22!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 12.049 17.462 2.645 1.00 0.00 N ATOM 2 CA LEU A 1 10.601 17.228 2.904 1.00 0.00 C ATOM 3 C LEU A 1 10.397 15.796 3.402 1.00 0.00 C ATOM 4 O LEU A 1 11.280 14.965 3.309 1.00 0.00 O ATOM 5 CB LEU A 1 9.812 17.437 1.610 1.00 0.00 C ATOM 6 CG LEU A 1 10.354 16.502 0.528 1.00 0.00 C ATOM 7 CD1 LEU A 1 9.451 15.272 0.418 1.00 0.00 C ATOM 8 CD2 LEU A 1 10.379 17.237 -0.814 1.00 0.00 C ATOM 0 H1 LEU A 1 12.165 17.935 1.726 1.00 0.00 H new ATOM 0 H2 LEU A 1 12.443 18.063 3.397 1.00 0.00 H new ATOM 0 H3 LEU A 1 12.551 16.551 2.631 1.00 0.00 H new ATOM 0 HA LEU A 1 10.249 17.929 3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 1 8.754 17.239 1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 1 9.894 18.474 1.285 1.00 0.00 H new ATOM 0 HG LEU A 1 11.364 16.189 0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 1 9.837 14.605 -0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 1 9.431 14.748 1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 1 8.441 15.585 0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 1 10.765 16.572 -1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 1 9.368 17.550 -1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 1 11.021 18.114 -0.737 1.00 0.00 H new ATOM 22 N ALA A 2 9.242 15.499 3.934 1.00 0.00 N ATOM 23 CA ALA A 2 8.986 14.121 4.438 1.00 0.00 C ATOM 24 C ALA A 2 8.325 13.291 3.336 1.00 0.00 C ATOM 25 O ALA A 2 7.302 13.662 2.796 1.00 0.00 O ATOM 26 CB ALA A 2 8.059 14.185 5.655 1.00 0.00 C ATOM 0 H ALA A 2 8.465 16.152 4.041 1.00 0.00 H new ATOM 0 HA ALA A 2 9.930 13.658 4.726 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.872 13.176 6.023 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.530 14.777 6.440 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.114 14.648 5.369 1.00 0.00 H new ATOM 32 N ALA A 3 8.899 12.168 2.998 1.00 0.00 N ATOM 33 CA ALA A 3 8.300 11.318 1.931 1.00 0.00 C ATOM 34 C ALA A 3 6.998 10.700 2.443 1.00 0.00 C ATOM 35 O ALA A 3 6.847 10.427 3.617 1.00 0.00 O ATOM 36 CB ALA A 3 9.281 10.206 1.551 1.00 0.00 C ATOM 0 H ALA A 3 9.756 11.803 3.414 1.00 0.00 H new ATOM 0 HA ALA A 3 8.091 11.930 1.054 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.842 9.585 0.770 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.208 10.648 1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.493 9.593 2.427 1.00 0.00 H new ATOM 42 N VAL A 4 6.052 10.480 1.571 1.00 0.00 N ATOM 43 CA VAL A 4 4.759 9.884 2.008 1.00 0.00 C ATOM 44 C VAL A 4 4.060 9.242 0.810 1.00 0.00 C ATOM 45 O VAL A 4 3.284 9.874 0.119 1.00 0.00 O ATOM 46 CB VAL A 4 3.866 10.980 2.592 1.00 0.00 C ATOM 47 CG1 VAL A 4 3.639 12.069 1.540 1.00 0.00 C ATOM 48 CG2 VAL A 4 2.519 10.379 2.997 1.00 0.00 C ATOM 0 H VAL A 4 6.119 10.688 0.575 1.00 0.00 H new ATOM 0 HA VAL A 4 4.948 9.124 2.766 1.00 0.00 H new ATOM 0 HB VAL A 4 4.350 11.413 3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.003 12.850 1.956 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.597 12.499 1.249 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.155 11.635 0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.883 11.160 3.413 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.036 9.946 2.121 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.677 9.603 3.746 1.00 0.00 H new ATOM 58 N SER A 5 4.327 7.991 0.555 1.00 0.00 N ATOM 59 CA SER A 5 3.678 7.308 -0.600 1.00 0.00 C ATOM 60 C SER A 5 4.414 5.998 -0.891 1.00 0.00 C ATOM 61 O SER A 5 5.554 5.818 -0.511 1.00 0.00 O ATOM 62 CB SER A 5 3.736 8.222 -1.827 1.00 0.00 C ATOM 63 OG SER A 5 4.167 7.474 -2.958 1.00 0.00 O ATOM 0 H SER A 5 4.967 7.411 1.097 1.00 0.00 H new ATOM 0 HA SER A 5 2.636 7.090 -0.364 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.754 8.655 -2.017 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.420 9.051 -1.644 1.00 0.00 H new ATOM 0 HG SER A 5 4.202 8.059 -3.743 1.00 0.00 H new ATOM 69 N VAL A 6 3.772 5.082 -1.563 1.00 0.00 N ATOM 70 CA VAL A 6 4.438 3.786 -1.877 1.00 0.00 C ATOM 71 C VAL A 6 4.365 3.524 -3.382 1.00 0.00 C ATOM 72 O VAL A 6 3.577 4.120 -4.089 1.00 0.00 O ATOM 73 CB VAL A 6 3.728 2.656 -1.130 1.00 0.00 C ATOM 74 CG1 VAL A 6 4.496 1.348 -1.333 1.00 0.00 C ATOM 75 CG2 VAL A 6 3.674 2.988 0.362 1.00 0.00 C ATOM 0 H VAL A 6 2.817 5.175 -1.908 1.00 0.00 H new ATOM 0 HA VAL A 6 5.482 3.830 -1.567 1.00 0.00 H new ATOM 0 HB VAL A 6 2.715 2.546 -1.516 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.990 0.543 -0.801 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.536 1.111 -2.396 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.509 1.457 -0.947 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.168 2.183 0.896 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.688 3.098 0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.128 3.920 0.508 1.00 0.00 H new ATOM 85 N ASP A 7 5.181 2.635 -3.877 1.00 0.00 N ATOM 86 CA ASP A 7 5.157 2.332 -5.334 1.00 0.00 C ATOM 87 C ASP A 7 4.128 1.232 -5.604 1.00 0.00 C ATOM 88 O ASP A 7 4.196 0.155 -5.045 1.00 0.00 O ATOM 89 CB ASP A 7 6.540 1.859 -5.783 1.00 0.00 C ATOM 90 CG ASP A 7 6.500 1.509 -7.271 1.00 0.00 C ATOM 91 OD1 ASP A 7 5.660 2.056 -7.966 1.00 0.00 O ATOM 92 OD2 ASP A 7 7.310 0.699 -7.691 1.00 0.00 O ATOM 0 H ASP A 7 5.863 2.105 -3.335 1.00 0.00 H new ATOM 0 HA ASP A 7 4.887 3.231 -5.889 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.280 2.639 -5.602 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.845 0.989 -5.202 1.00 0.00 H new ATOM 97 N CYS A 8 3.174 1.493 -6.454 1.00 0.00 N ATOM 98 CA CYS A 8 2.142 0.464 -6.755 1.00 0.00 C ATOM 99 C CYS A 8 1.705 0.596 -8.217 1.00 0.00 C ATOM 100 O CYS A 8 0.561 0.365 -8.556 1.00 0.00 O ATOM 101 CB CYS A 8 0.936 0.674 -5.838 1.00 0.00 C ATOM 102 SG CYS A 8 1.510 1.090 -4.172 1.00 0.00 S ATOM 0 H CYS A 8 3.065 2.376 -6.953 1.00 0.00 H new ATOM 0 HA CYS A 8 2.555 -0.531 -6.589 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.305 1.473 -6.227 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.326 -0.229 -5.809 1.00 0.00 H new ATOM 107 N SER A 9 2.608 0.970 -9.083 1.00 0.00 N ATOM 108 CA SER A 9 2.247 1.121 -10.522 1.00 0.00 C ATOM 109 C SER A 9 2.469 -0.205 -11.254 1.00 0.00 C ATOM 110 O SER A 9 2.571 -0.246 -12.465 1.00 0.00 O ATOM 111 CB SER A 9 3.122 2.205 -11.154 1.00 0.00 C ATOM 112 OG SER A 9 2.519 2.651 -12.362 1.00 0.00 O ATOM 0 H SER A 9 3.581 1.178 -8.856 1.00 0.00 H new ATOM 0 HA SER A 9 1.198 1.404 -10.603 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.241 3.040 -10.464 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.119 1.812 -11.355 1.00 0.00 H new ATOM 0 HG SER A 9 2.309 1.879 -12.927 1.00 0.00 H new ATOM 118 N GLU A 10 2.544 -1.289 -10.531 1.00 0.00 N ATOM 119 CA GLU A 10 2.757 -2.612 -11.186 1.00 0.00 C ATOM 120 C GLU A 10 1.764 -3.626 -10.614 1.00 0.00 C ATOM 121 O GLU A 10 1.851 -4.810 -10.871 1.00 0.00 O ATOM 122 CB GLU A 10 4.186 -3.091 -10.921 1.00 0.00 C ATOM 123 CG GLU A 10 5.181 -2.040 -11.419 1.00 0.00 C ATOM 124 CD GLU A 10 5.600 -1.141 -10.255 1.00 0.00 C ATOM 125 OE1 GLU A 10 4.847 -0.239 -9.927 1.00 0.00 O ATOM 126 OE2 GLU A 10 6.667 -1.371 -9.711 1.00 0.00 O ATOM 0 H GLU A 10 2.467 -1.316 -9.514 1.00 0.00 H new ATOM 0 HA GLU A 10 2.602 -2.515 -12.261 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.330 -3.266 -9.855 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.361 -4.041 -11.426 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.056 -2.527 -11.849 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.729 -1.442 -12.210 1.00 0.00 H new ATOM 133 N TYR A 11 0.822 -3.169 -9.836 1.00 0.00 N ATOM 134 CA TYR A 11 -0.173 -4.077 -9.238 1.00 0.00 C ATOM 135 C TYR A 11 -1.365 -4.205 -10.200 1.00 0.00 C ATOM 136 O TYR A 11 -1.501 -3.420 -11.118 1.00 0.00 O ATOM 137 CB TYR A 11 -0.572 -3.481 -7.885 1.00 0.00 C ATOM 138 CG TYR A 11 0.609 -3.637 -6.952 1.00 0.00 C ATOM 139 CD1 TYR A 11 1.624 -2.674 -6.952 1.00 0.00 C ATOM 140 CD2 TYR A 11 0.703 -4.753 -6.107 1.00 0.00 C ATOM 141 CE1 TYR A 11 2.730 -2.820 -6.106 1.00 0.00 C ATOM 142 CE2 TYR A 11 1.813 -4.900 -5.262 1.00 0.00 C ATOM 143 CZ TYR A 11 2.824 -3.932 -5.262 1.00 0.00 C ATOM 144 OH TYR A 11 3.918 -4.078 -4.432 1.00 0.00 O ATOM 0 H TYR A 11 0.705 -2.186 -9.590 1.00 0.00 H new ATOM 0 HA TYR A 11 0.220 -5.081 -9.077 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.839 -2.430 -7.993 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.447 -3.992 -7.484 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.554 -1.817 -7.605 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.079 -5.498 -6.107 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.511 -2.074 -6.105 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.887 -5.759 -4.612 1.00 0.00 H new ATOM 0 HH TYR A 11 3.826 -4.903 -3.912 1.00 0.00 H new ATOM 154 N PRO A 12 -2.157 -5.225 -9.999 1.00 0.00 N ATOM 155 CA PRO A 12 -1.984 -6.169 -8.882 1.00 0.00 C ATOM 156 C PRO A 12 -0.782 -7.093 -9.095 1.00 0.00 C ATOM 157 O PRO A 12 -0.435 -7.447 -10.205 1.00 0.00 O ATOM 158 CB PRO A 12 -3.293 -6.962 -8.876 1.00 0.00 C ATOM 159 CG PRO A 12 -3.882 -6.836 -10.300 1.00 0.00 C ATOM 160 CD PRO A 12 -3.282 -5.552 -10.899 1.00 0.00 C ATOM 0 HA PRO A 12 -1.786 -5.661 -7.938 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.114 -8.006 -8.620 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.985 -6.566 -8.133 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.626 -7.705 -10.906 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.970 -6.779 -10.268 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.941 -5.711 -11.922 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.015 -4.746 -10.929 1.00 0.00 H new ATOM 168 N LYS A 13 -0.152 -7.481 -8.019 1.00 0.00 N ATOM 169 CA LYS A 13 1.031 -8.381 -8.111 1.00 0.00 C ATOM 170 C LYS A 13 0.592 -9.825 -7.849 1.00 0.00 C ATOM 171 O LYS A 13 -0.307 -10.062 -7.067 1.00 0.00 O ATOM 172 CB LYS A 13 2.052 -7.962 -7.054 1.00 0.00 C ATOM 173 CG LYS A 13 3.400 -7.686 -7.722 1.00 0.00 C ATOM 174 CD LYS A 13 4.529 -8.217 -6.836 1.00 0.00 C ATOM 175 CE LYS A 13 5.876 -7.923 -7.499 1.00 0.00 C ATOM 176 NZ LYS A 13 6.256 -9.065 -8.378 1.00 0.00 N ATOM 0 H LYS A 13 -0.410 -7.209 -7.070 1.00 0.00 H new ATOM 0 HA LYS A 13 1.475 -8.312 -9.104 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.705 -7.071 -6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.160 -8.748 -6.306 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.437 -8.164 -8.701 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.524 -6.615 -7.885 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.485 -7.749 -5.853 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.413 -9.290 -6.684 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.813 -7.005 -8.084 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.641 -7.765 -6.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.172 -8.866 -8.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.332 -9.932 -7.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.530 -9.195 -9.111 1.00 0.00 H new ATOM 190 N PRO A 14 1.242 -10.749 -8.513 1.00 0.00 N ATOM 191 CA PRO A 14 0.941 -12.188 -8.376 1.00 0.00 C ATOM 192 C PRO A 14 1.554 -12.757 -7.093 1.00 0.00 C ATOM 193 O PRO A 14 1.635 -13.956 -6.909 1.00 0.00 O ATOM 194 CB PRO A 14 1.589 -12.807 -9.615 1.00 0.00 C ATOM 195 CG PRO A 14 2.682 -11.815 -10.078 1.00 0.00 C ATOM 196 CD PRO A 14 2.322 -10.446 -9.479 1.00 0.00 C ATOM 0 HA PRO A 14 -0.127 -12.394 -8.308 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.021 -13.780 -9.382 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.851 -12.966 -10.401 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.666 -12.138 -9.739 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.721 -11.763 -11.166 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.180 -9.988 -8.987 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.986 -9.750 -10.248 1.00 0.00 H new ATOM 204 N ALA A 15 1.980 -11.907 -6.206 1.00 0.00 N ATOM 205 CA ALA A 15 2.584 -12.390 -4.932 1.00 0.00 C ATOM 206 C ALA A 15 2.771 -11.208 -3.977 1.00 0.00 C ATOM 207 O ALA A 15 3.466 -10.258 -4.279 1.00 0.00 O ATOM 208 CB ALA A 15 3.942 -13.033 -5.222 1.00 0.00 C ATOM 0 H ALA A 15 1.937 -10.893 -6.307 1.00 0.00 H new ATOM 0 HA ALA A 15 1.925 -13.127 -4.473 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.384 -13.386 -4.290 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.808 -13.874 -5.902 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.603 -12.297 -5.681 1.00 0.00 H new ATOM 214 N CYS A 16 2.157 -11.257 -2.825 1.00 0.00 N ATOM 215 CA CYS A 16 2.302 -10.135 -1.854 1.00 0.00 C ATOM 216 C CYS A 16 3.410 -10.464 -0.854 1.00 0.00 C ATOM 217 O CYS A 16 3.454 -11.543 -0.297 1.00 0.00 O ATOM 218 CB CYS A 16 0.985 -9.929 -1.101 1.00 0.00 C ATOM 219 SG CYS A 16 -0.288 -9.371 -2.258 1.00 0.00 S ATOM 0 H CYS A 16 1.562 -12.025 -2.515 1.00 0.00 H new ATOM 0 HA CYS A 16 2.556 -9.224 -2.395 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.676 -10.860 -0.625 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.118 -9.194 -0.307 1.00 0.00 H new ATOM 224 N THR A 17 4.302 -9.542 -0.615 1.00 0.00 N ATOM 225 CA THR A 17 5.398 -9.806 0.358 1.00 0.00 C ATOM 226 C THR A 17 4.800 -10.439 1.614 1.00 0.00 C ATOM 227 O THR A 17 3.597 -10.496 1.774 1.00 0.00 O ATOM 228 CB THR A 17 6.088 -8.491 0.725 1.00 0.00 C ATOM 229 OG1 THR A 17 5.114 -7.557 1.170 1.00 0.00 O ATOM 230 CG2 THR A 17 6.813 -7.931 -0.498 1.00 0.00 C ATOM 0 H THR A 17 4.319 -8.620 -1.050 1.00 0.00 H new ATOM 0 HA THR A 17 6.131 -10.481 -0.084 1.00 0.00 H new ATOM 0 HB THR A 17 6.812 -8.670 1.520 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.554 -6.714 1.407 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.303 -6.994 -0.233 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.560 -8.648 -0.838 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.093 -7.751 -1.297 1.00 0.00 H new ATOM 238 N LEU A 18 5.619 -10.921 2.504 1.00 0.00 N ATOM 239 CA LEU A 18 5.068 -11.549 3.736 1.00 0.00 C ATOM 240 C LEU A 18 5.339 -10.655 4.948 1.00 0.00 C ATOM 241 O LEU A 18 4.515 -10.539 5.834 1.00 0.00 O ATOM 242 CB LEU A 18 5.719 -12.919 3.949 1.00 0.00 C ATOM 243 CG LEU A 18 5.073 -13.939 3.010 1.00 0.00 C ATOM 244 CD1 LEU A 18 5.863 -15.249 3.055 1.00 0.00 C ATOM 245 CD2 LEU A 18 3.632 -14.202 3.455 1.00 0.00 C ATOM 0 H LEU A 18 6.637 -10.908 2.434 1.00 0.00 H new ATOM 0 HA LEU A 18 3.991 -11.673 3.621 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.790 -12.859 3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.598 -13.234 4.985 1.00 0.00 H new ATOM 0 HG LEU A 18 5.076 -13.546 1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.402 -15.975 2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.890 -15.066 2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.861 -15.641 4.072 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.171 -14.929 2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.631 -14.594 4.472 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.066 -13.271 3.424 1.00 0.00 H new ATOM 257 N GLU A 19 6.480 -10.019 5.002 1.00 0.00 N ATOM 258 CA GLU A 19 6.775 -9.136 6.168 1.00 0.00 C ATOM 259 C GLU A 19 5.542 -8.280 6.462 1.00 0.00 C ATOM 260 O GLU A 19 4.784 -7.945 5.573 1.00 0.00 O ATOM 261 CB GLU A 19 7.973 -8.235 5.851 1.00 0.00 C ATOM 262 CG GLU A 19 7.656 -7.358 4.639 1.00 0.00 C ATOM 263 CD GLU A 19 8.481 -7.826 3.440 1.00 0.00 C ATOM 264 OE1 GLU A 19 8.977 -8.941 3.486 1.00 0.00 O ATOM 265 OE2 GLU A 19 8.606 -7.063 2.496 1.00 0.00 O ATOM 0 H GLU A 19 7.214 -10.072 4.296 1.00 0.00 H new ATOM 0 HA GLU A 19 7.018 -9.744 7.039 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.207 -7.610 6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.854 -8.844 5.650 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.593 -7.413 4.406 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.880 -6.315 4.863 1.00 0.00 H new ATOM 272 N TYR A 20 5.318 -7.940 7.702 1.00 0.00 N ATOM 273 CA TYR A 20 4.114 -7.127 8.037 1.00 0.00 C ATOM 274 C TYR A 20 4.441 -5.633 7.962 1.00 0.00 C ATOM 275 O TYR A 20 5.196 -5.105 8.753 1.00 0.00 O ATOM 276 CB TYR A 20 3.639 -7.473 9.451 1.00 0.00 C ATOM 277 CG TYR A 20 2.336 -6.762 9.734 1.00 0.00 C ATOM 278 CD1 TYR A 20 1.264 -6.873 8.837 1.00 0.00 C ATOM 279 CD2 TYR A 20 2.198 -5.991 10.895 1.00 0.00 C ATOM 280 CE1 TYR A 20 0.056 -6.212 9.103 1.00 0.00 C ATOM 281 CE2 TYR A 20 0.991 -5.331 11.159 1.00 0.00 C ATOM 282 CZ TYR A 20 -0.078 -5.441 10.263 1.00 0.00 C ATOM 283 OH TYR A 20 -1.267 -4.790 10.525 1.00 0.00 O ATOM 0 H TYR A 20 5.912 -8.188 8.493 1.00 0.00 H new ATOM 0 HA TYR A 20 3.327 -7.353 7.318 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.506 -8.551 9.548 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.392 -7.178 10.181 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.369 -7.467 7.941 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.023 -5.905 11.587 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.770 -6.298 8.413 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.885 -4.737 12.055 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.192 -4.300 11.371 1.00 0.00 H new ATOM 293 N ARG A 21 3.856 -4.949 7.018 1.00 0.00 N ATOM 294 CA ARG A 21 4.096 -3.487 6.879 1.00 0.00 C ATOM 295 C ARG A 21 2.749 -2.809 6.608 1.00 0.00 C ATOM 296 O ARG A 21 2.383 -2.591 5.475 1.00 0.00 O ATOM 297 CB ARG A 21 5.048 -3.233 5.709 1.00 0.00 C ATOM 298 CG ARG A 21 6.417 -3.842 6.020 1.00 0.00 C ATOM 299 CD ARG A 21 7.330 -2.774 6.625 1.00 0.00 C ATOM 300 NE ARG A 21 8.016 -3.328 7.828 1.00 0.00 N ATOM 301 CZ ARG A 21 8.724 -2.544 8.596 1.00 0.00 C ATOM 302 NH1 ARG A 21 8.290 -1.347 8.885 1.00 0.00 N ATOM 303 NH2 ARG A 21 9.864 -2.960 9.076 1.00 0.00 N ATOM 0 H ARG A 21 3.215 -5.346 6.330 1.00 0.00 H new ATOM 0 HA ARG A 21 4.544 -3.086 7.788 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.643 -3.670 4.796 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.147 -2.162 5.533 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.306 -4.675 6.714 1.00 0.00 H new ATOM 0 HG3 ARG A 21 6.863 -4.243 5.110 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.067 -2.452 5.889 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.747 -1.895 6.899 1.00 0.00 H new ATOM 0 HE ARG A 21 7.932 -4.320 8.051 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.398 -1.024 8.511 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.843 -0.735 9.485 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.201 -3.896 8.851 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.418 -2.349 9.676 1.00 0.00 H new ATOM 317 N PRO A 22 2.043 -2.514 7.662 1.00 0.00 N ATOM 318 CA PRO A 22 0.710 -1.893 7.568 1.00 0.00 C ATOM 319 C PRO A 22 0.785 -0.473 7.015 1.00 0.00 C ATOM 320 O PRO A 22 1.199 0.444 7.688 1.00 0.00 O ATOM 321 CB PRO A 22 0.192 -1.923 9.010 1.00 0.00 C ATOM 322 CG PRO A 22 1.435 -2.070 9.915 1.00 0.00 C ATOM 323 CD PRO A 22 2.516 -2.735 9.045 1.00 0.00 C ATOM 0 HA PRO A 22 0.049 -2.419 6.879 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.355 -1.010 9.246 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.497 -2.754 9.158 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.770 -1.099 10.279 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.210 -2.678 10.791 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.495 -2.284 9.210 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.612 -3.797 9.270 1.00 0.00 H new ATOM 331 N LEU A 23 0.371 -0.288 5.787 1.00 0.00 N ATOM 332 CA LEU A 23 0.401 1.070 5.188 1.00 0.00 C ATOM 333 C LEU A 23 -1.009 1.653 5.240 1.00 0.00 C ATOM 334 O LEU A 23 -1.942 1.090 4.700 1.00 0.00 O ATOM 335 CB LEU A 23 0.864 0.965 3.738 1.00 0.00 C ATOM 336 CG LEU A 23 2.106 0.079 3.674 1.00 0.00 C ATOM 337 CD1 LEU A 23 2.022 -0.816 2.445 1.00 0.00 C ATOM 338 CD2 LEU A 23 3.355 0.950 3.582 1.00 0.00 C ATOM 0 H LEU A 23 0.014 -1.023 5.177 1.00 0.00 H new ATOM 0 HA LEU A 23 1.087 1.715 5.737 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.071 0.546 3.119 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.088 1.956 3.342 1.00 0.00 H new ATOM 0 HG LEU A 23 2.160 -0.535 4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.907 -1.450 2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.131 -1.441 2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.968 -0.199 1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.239 0.314 3.537 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.304 1.566 2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.415 1.593 4.460 1.00 0.00 H new ATOM 350 N CYS A 24 -1.179 2.765 5.894 1.00 0.00 N ATOM 351 CA CYS A 24 -2.540 3.364 5.983 1.00 0.00 C ATOM 352 C CYS A 24 -2.846 4.125 4.695 1.00 0.00 C ATOM 353 O CYS A 24 -2.015 4.837 4.176 1.00 0.00 O ATOM 354 CB CYS A 24 -2.594 4.336 7.176 1.00 0.00 C ATOM 355 SG CYS A 24 -3.936 5.546 6.969 1.00 0.00 S ATOM 0 H CYS A 24 -0.440 3.284 6.369 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.277 2.573 6.123 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.743 3.776 8.099 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.641 4.857 7.269 1.00 0.00 H new ATOM 360 N GLY A 25 -4.054 4.014 4.214 1.00 0.00 N ATOM 361 CA GLY A 25 -4.458 4.770 2.995 1.00 0.00 C ATOM 362 C GLY A 25 -4.381 6.257 3.333 1.00 0.00 C ATOM 363 O GLY A 25 -3.971 6.615 4.416 1.00 0.00 O ATOM 0 H GLY A 25 -4.784 3.427 4.617 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.799 4.532 2.160 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.469 4.497 2.692 1.00 0.00 H new ATOM 367 N SER A 26 -4.770 7.133 2.452 1.00 0.00 N ATOM 368 CA SER A 26 -4.698 8.580 2.809 1.00 0.00 C ATOM 369 C SER A 26 -6.026 9.021 3.420 1.00 0.00 C ATOM 370 O SER A 26 -6.147 10.112 3.944 1.00 0.00 O ATOM 371 CB SER A 26 -4.395 9.410 1.564 1.00 0.00 C ATOM 372 OG SER A 26 -3.867 10.669 1.958 1.00 0.00 O ATOM 0 H SER A 26 -5.127 6.920 1.521 1.00 0.00 H new ATOM 0 HA SER A 26 -3.900 8.732 3.535 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.681 8.886 0.928 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.302 9.551 0.977 1.00 0.00 H new ATOM 0 HG SER A 26 -4.423 11.048 2.671 1.00 0.00 H new ATOM 378 N ASP A 27 -7.019 8.183 3.370 1.00 0.00 N ATOM 379 CA ASP A 27 -8.330 8.558 3.961 1.00 0.00 C ATOM 380 C ASP A 27 -8.388 8.034 5.395 1.00 0.00 C ATOM 381 O ASP A 27 -8.905 8.689 6.275 1.00 0.00 O ATOM 382 CB ASP A 27 -9.459 7.932 3.140 1.00 0.00 C ATOM 383 CG ASP A 27 -9.405 6.409 3.277 1.00 0.00 C ATOM 384 OD1 ASP A 27 -8.443 5.825 2.803 1.00 0.00 O ATOM 385 OD2 ASP A 27 -10.325 5.853 3.852 1.00 0.00 O ATOM 0 H ASP A 27 -6.980 7.256 2.946 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.445 9.642 3.956 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.424 8.305 3.485 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.363 8.217 2.092 1.00 0.00 H new ATOM 390 N ASN A 28 -7.836 6.862 5.615 1.00 0.00 N ATOM 391 CA ASN A 28 -7.814 6.238 6.982 1.00 0.00 C ATOM 392 C ASN A 28 -7.974 4.719 6.855 1.00 0.00 C ATOM 393 O ASN A 28 -8.630 4.090 7.661 1.00 0.00 O ATOM 394 CB ASN A 28 -8.958 6.772 7.852 1.00 0.00 C ATOM 395 CG ASN A 28 -10.277 6.681 7.081 1.00 0.00 C ATOM 396 OD1 ASN A 28 -10.592 5.653 6.514 1.00 0.00 O ATOM 397 ND2 ASN A 28 -11.068 7.718 7.037 1.00 0.00 N ATOM 0 H ASN A 28 -7.390 6.300 4.890 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.862 6.488 7.450 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.025 6.197 8.775 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -8.761 7.806 8.134 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.950 7.666 6.527 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.804 8.581 7.513 1.00 0.00 H new ATOM 404 N LYS A 29 -7.384 4.121 5.855 1.00 0.00 N ATOM 405 CA LYS A 29 -7.514 2.643 5.695 1.00 0.00 C ATOM 406 C LYS A 29 -6.212 1.969 6.133 1.00 0.00 C ATOM 407 O LYS A 29 -5.288 2.618 6.576 1.00 0.00 O ATOM 408 CB LYS A 29 -7.794 2.313 4.227 1.00 0.00 C ATOM 409 CG LYS A 29 -8.841 1.201 4.145 1.00 0.00 C ATOM 410 CD LYS A 29 -10.226 1.780 4.435 1.00 0.00 C ATOM 411 CE LYS A 29 -11.214 1.302 3.370 1.00 0.00 C ATOM 412 NZ LYS A 29 -11.551 2.433 2.460 1.00 0.00 N ATOM 0 H LYS A 29 -6.820 4.589 5.145 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.336 2.279 6.311 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.150 3.201 3.705 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.875 1.999 3.732 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.826 0.745 3.155 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.607 0.414 4.862 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.562 1.468 5.424 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.182 2.869 4.442 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.781 0.480 2.800 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.119 0.920 3.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.223 2.108 1.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.981 3.204 3.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.685 2.777 1.999 1.00 0.00 H new ATOM 426 N THR A 30 -6.131 0.672 6.011 1.00 0.00 N ATOM 427 CA THR A 30 -4.885 -0.039 6.418 1.00 0.00 C ATOM 428 C THR A 30 -4.722 -1.301 5.568 1.00 0.00 C ATOM 429 O THR A 30 -5.665 -2.026 5.324 1.00 0.00 O ATOM 430 CB THR A 30 -4.972 -0.435 7.899 1.00 0.00 C ATOM 431 OG1 THR A 30 -4.772 0.715 8.712 1.00 0.00 O ATOM 432 CG2 THR A 30 -3.897 -1.484 8.220 1.00 0.00 C ATOM 0 H THR A 30 -6.873 0.074 5.647 1.00 0.00 H new ATOM 0 HA THR A 30 -4.030 0.620 6.270 1.00 0.00 H new ATOM 0 HB THR A 30 -5.957 -0.856 8.101 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.829 0.462 9.657 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.963 -1.762 9.272 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.054 -2.367 7.601 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.910 -1.068 8.015 1.00 0.00 H new ATOM 440 N TYR A 31 -3.527 -1.575 5.129 1.00 0.00 N ATOM 441 CA TYR A 31 -3.289 -2.795 4.308 1.00 0.00 C ATOM 442 C TYR A 31 -2.142 -3.581 4.939 1.00 0.00 C ATOM 443 O TYR A 31 -1.162 -3.017 5.377 1.00 0.00 O ATOM 444 CB TYR A 31 -2.968 -2.378 2.875 1.00 0.00 C ATOM 445 CG TYR A 31 -4.268 -2.029 2.181 1.00 0.00 C ATOM 446 CD1 TYR A 31 -4.941 -0.846 2.512 1.00 0.00 C ATOM 447 CD2 TYR A 31 -4.807 -2.889 1.217 1.00 0.00 C ATOM 448 CE1 TYR A 31 -6.148 -0.523 1.879 1.00 0.00 C ATOM 449 CE2 TYR A 31 -6.013 -2.567 0.584 1.00 0.00 C ATOM 450 CZ TYR A 31 -6.683 -1.384 0.915 1.00 0.00 C ATOM 451 OH TYR A 31 -7.873 -1.068 0.292 1.00 0.00 O ATOM 0 H TYR A 31 -2.700 -1.004 5.304 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.173 -3.432 4.280 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.293 -1.522 2.870 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.461 -3.187 2.348 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.528 -0.182 3.257 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.291 -3.803 0.961 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.665 0.390 2.135 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.427 -3.232 -0.160 1.00 0.00 H new ATOM 0 HH TYR A 31 -8.103 -1.771 -0.351 1.00 0.00 H new ATOM 461 N GLY A 32 -2.275 -4.877 5.035 1.00 0.00 N ATOM 462 CA GLY A 32 -1.211 -5.680 5.695 1.00 0.00 C ATOM 463 C GLY A 32 0.175 -5.229 5.243 1.00 0.00 C ATOM 464 O GLY A 32 1.007 -4.869 6.052 1.00 0.00 O ATOM 0 H GLY A 32 -3.071 -5.410 4.686 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.294 -5.581 6.777 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.348 -6.735 5.460 1.00 0.00 H new ATOM 468 N ASN A 33 0.447 -5.237 3.968 1.00 0.00 N ATOM 469 CA ASN A 33 1.799 -4.793 3.526 1.00 0.00 C ATOM 470 C ASN A 33 1.707 -3.977 2.247 1.00 0.00 C ATOM 471 O ASN A 33 0.666 -3.476 1.884 1.00 0.00 O ATOM 472 CB ASN A 33 2.728 -5.993 3.311 1.00 0.00 C ATOM 473 CG ASN A 33 2.210 -6.890 2.190 1.00 0.00 C ATOM 474 OD1 ASN A 33 1.273 -6.547 1.497 1.00 0.00 O ATOM 475 ND2 ASN A 33 2.794 -8.040 1.986 1.00 0.00 N ATOM 0 H ASN A 33 -0.192 -5.525 3.227 1.00 0.00 H new ATOM 0 HA ASN A 33 2.216 -4.167 4.315 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.731 -5.642 3.067 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.807 -6.567 4.234 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.464 -8.655 1.242 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.580 -8.323 2.571 1.00 0.00 H new ATOM 482 N LYS A 34 2.812 -3.814 1.592 1.00 0.00 N ATOM 483 CA LYS A 34 2.862 -3.009 0.358 1.00 0.00 C ATOM 484 C LYS A 34 2.062 -3.660 -0.774 1.00 0.00 C ATOM 485 O LYS A 34 1.460 -2.977 -1.568 1.00 0.00 O ATOM 486 CB LYS A 34 4.324 -2.898 -0.048 1.00 0.00 C ATOM 487 CG LYS A 34 4.790 -4.222 -0.659 1.00 0.00 C ATOM 488 CD LYS A 34 6.304 -4.181 -0.871 1.00 0.00 C ATOM 489 CE LYS A 34 6.604 -3.733 -2.302 1.00 0.00 C ATOM 490 NZ LYS A 34 6.565 -2.245 -2.375 1.00 0.00 N ATOM 0 H LYS A 34 3.706 -4.218 1.871 1.00 0.00 H new ATOM 0 HA LYS A 34 2.421 -2.030 0.542 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.452 -2.089 -0.767 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.935 -2.652 0.820 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.526 -5.051 -0.002 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.284 -4.395 -1.609 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.764 -3.495 -0.159 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.735 -5.165 -0.688 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.584 -4.097 -2.611 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.874 -4.161 -2.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.267 -1.913 -3.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.617 -1.937 -2.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.784 -1.846 -1.440 1.00 0.00 H new ATOM 504 N CYS A 35 2.069 -4.958 -0.884 1.00 0.00 N ATOM 505 CA CYS A 35 1.319 -5.601 -1.997 1.00 0.00 C ATOM 506 C CYS A 35 -0.189 -5.450 -1.782 1.00 0.00 C ATOM 507 O CYS A 35 -0.946 -5.347 -2.725 1.00 0.00 O ATOM 508 CB CYS A 35 1.678 -7.083 -2.072 1.00 0.00 C ATOM 509 SG CYS A 35 0.617 -7.894 -3.295 1.00 0.00 S ATOM 0 H CYS A 35 2.557 -5.597 -0.257 1.00 0.00 H new ATOM 0 HA CYS A 35 1.593 -5.111 -2.931 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.726 -7.202 -2.347 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.550 -7.550 -1.095 1.00 0.00 H new ATOM 514 N ASN A 36 -0.636 -5.434 -0.559 1.00 0.00 N ATOM 515 CA ASN A 36 -2.097 -5.284 -0.311 1.00 0.00 C ATOM 516 C ASN A 36 -2.474 -3.807 -0.448 1.00 0.00 C ATOM 517 O ASN A 36 -3.476 -3.455 -1.038 1.00 0.00 O ATOM 518 CB ASN A 36 -2.430 -5.772 1.101 1.00 0.00 C ATOM 519 CG ASN A 36 -2.591 -7.291 1.088 1.00 0.00 C ATOM 520 OD1 ASN A 36 -3.673 -7.801 0.874 1.00 0.00 O ATOM 521 ND2 ASN A 36 -1.549 -8.041 1.307 1.00 0.00 N ATOM 0 H ASN A 36 -0.057 -5.518 0.277 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.658 -5.876 -1.034 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.638 -5.485 1.793 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.348 -5.301 1.454 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.641 -9.057 1.299 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.641 -7.613 1.487 1.00 0.00 H new ATOM 528 N PHE A 37 -1.662 -2.946 0.095 1.00 0.00 N ATOM 529 CA PHE A 37 -1.928 -1.482 0.018 1.00 0.00 C ATOM 530 C PHE A 37 -1.764 -1.010 -1.395 1.00 0.00 C ATOM 531 O PHE A 37 -2.356 -0.047 -1.839 1.00 0.00 O ATOM 532 CB PHE A 37 -0.903 -0.755 0.866 1.00 0.00 C ATOM 533 CG PHE A 37 -1.337 0.667 1.010 1.00 0.00 C ATOM 534 CD1 PHE A 37 -2.407 1.036 1.820 1.00 0.00 C ATOM 535 CD2 PHE A 37 -0.660 1.611 0.255 1.00 0.00 C ATOM 536 CE1 PHE A 37 -2.801 2.381 1.876 1.00 0.00 C ATOM 537 CE2 PHE A 37 -1.032 2.946 0.299 1.00 0.00 C ATOM 538 CZ PHE A 37 -2.104 3.344 1.106 1.00 0.00 C ATOM 0 H PHE A 37 -0.811 -3.198 0.597 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.942 -1.284 0.367 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.817 -1.227 1.845 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.081 -0.806 0.400 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.930 0.292 2.402 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.164 1.305 -0.373 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.629 2.680 2.501 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.496 3.677 -0.288 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.399 4.382 1.141 1.00 0.00 H new ATOM 548 N CYS A 38 -0.932 -1.682 -2.084 1.00 0.00 N ATOM 549 CA CYS A 38 -0.656 -1.295 -3.491 1.00 0.00 C ATOM 550 C CYS A 38 -1.734 -1.880 -4.397 1.00 0.00 C ATOM 551 O CYS A 38 -2.162 -1.255 -5.339 1.00 0.00 O ATOM 552 CB CYS A 38 0.709 -1.817 -3.928 1.00 0.00 C ATOM 553 SG CYS A 38 1.999 -0.690 -3.346 1.00 0.00 S ATOM 0 H CYS A 38 -0.416 -2.495 -1.746 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.658 -0.207 -3.565 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.875 -2.816 -3.525 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.748 -1.901 -5.014 1.00 0.00 H new ATOM 558 N ASN A 39 -2.185 -3.070 -4.115 1.00 0.00 N ATOM 559 CA ASN A 39 -3.248 -3.675 -4.963 1.00 0.00 C ATOM 560 C ASN A 39 -4.457 -2.748 -4.933 1.00 0.00 C ATOM 561 O ASN A 39 -5.215 -2.658 -5.878 1.00 0.00 O ATOM 562 CB ASN A 39 -3.643 -5.043 -4.398 1.00 0.00 C ATOM 563 CG ASN A 39 -2.635 -6.100 -4.842 1.00 0.00 C ATOM 564 OD1 ASN A 39 -2.096 -6.025 -5.927 1.00 0.00 O ATOM 565 ND2 ASN A 39 -2.359 -7.094 -4.045 1.00 0.00 N ATOM 0 H ASN A 39 -1.865 -3.647 -3.337 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.889 -3.805 -5.984 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.681 -4.999 -3.310 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.642 -5.313 -4.741 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.690 -7.808 -4.333 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.812 -7.157 -3.133 1.00 0.00 H new ATOM 572 N ALA A 40 -4.630 -2.051 -3.847 1.00 0.00 N ATOM 573 CA ALA A 40 -5.774 -1.114 -3.733 1.00 0.00 C ATOM 574 C ALA A 40 -5.432 0.164 -4.495 1.00 0.00 C ATOM 575 O ALA A 40 -6.244 0.718 -5.208 1.00 0.00 O ATOM 576 CB ALA A 40 -6.006 -0.780 -2.258 1.00 0.00 C ATOM 0 H ALA A 40 -4.022 -2.092 -3.029 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.675 -1.566 -4.147 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.846 -0.091 -2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.227 -1.695 -1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.111 -0.316 -1.845 1.00 0.00 H new ATOM 582 N VAL A 41 -4.223 0.627 -4.347 1.00 0.00 N ATOM 583 CA VAL A 41 -3.794 1.863 -5.053 1.00 0.00 C ATOM 584 C VAL A 41 -3.999 1.696 -6.558 1.00 0.00 C ATOM 585 O VAL A 41 -4.351 2.626 -7.257 1.00 0.00 O ATOM 586 CB VAL A 41 -2.307 2.094 -4.794 1.00 0.00 C ATOM 587 CG1 VAL A 41 -1.821 3.247 -5.671 1.00 0.00 C ATOM 588 CG2 VAL A 41 -2.089 2.429 -3.315 1.00 0.00 C ATOM 0 H VAL A 41 -3.508 0.197 -3.761 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.382 2.706 -4.690 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.744 1.193 -5.037 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.760 3.418 -5.492 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.976 2.996 -6.720 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.380 4.150 -5.427 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.027 2.594 -3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.645 3.331 -3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.439 1.601 -2.699 1.00 0.00 H new ATOM 598 N VAL A 42 -3.755 0.522 -7.061 1.00 0.00 N ATOM 599 CA VAL A 42 -3.899 0.281 -8.509 1.00 0.00 C ATOM 600 C VAL A 42 -5.344 -0.105 -8.839 1.00 0.00 C ATOM 601 O VAL A 42 -5.810 0.098 -9.942 1.00 0.00 O ATOM 602 CB VAL A 42 -2.945 -0.847 -8.895 1.00 0.00 C ATOM 603 CG1 VAL A 42 -3.205 -2.077 -8.025 1.00 0.00 C ATOM 604 CG2 VAL A 42 -3.162 -1.204 -10.354 1.00 0.00 C ATOM 0 H VAL A 42 -3.458 -0.289 -6.518 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.658 1.184 -9.070 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.917 -0.517 -8.742 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.519 -2.875 -8.309 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.050 -1.821 -6.977 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.232 -2.413 -8.168 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.484 -2.009 -10.636 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.192 -1.529 -10.500 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.966 -0.330 -10.975 1.00 0.00 H new ATOM 614 N GLU A 43 -6.065 -0.645 -7.892 1.00 0.00 N ATOM 615 CA GLU A 43 -7.480 -1.018 -8.170 1.00 0.00 C ATOM 616 C GLU A 43 -8.386 0.153 -7.790 1.00 0.00 C ATOM 617 O GLU A 43 -9.592 0.026 -7.738 1.00 0.00 O ATOM 618 CB GLU A 43 -7.871 -2.254 -7.353 1.00 0.00 C ATOM 619 CG GLU A 43 -8.775 -3.155 -8.196 1.00 0.00 C ATOM 620 CD GLU A 43 -10.050 -3.478 -7.412 1.00 0.00 C ATOM 621 OE1 GLU A 43 -9.976 -4.298 -6.513 1.00 0.00 O ATOM 622 OE2 GLU A 43 -11.076 -2.897 -7.724 1.00 0.00 O ATOM 0 H GLU A 43 -5.738 -0.842 -6.946 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.592 -1.248 -9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.978 -2.799 -7.048 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.387 -1.953 -6.442 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.028 -2.659 -9.133 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.251 -4.075 -8.453 1.00 0.00 H new ATOM 629 N SER A 44 -7.810 1.294 -7.514 1.00 0.00 N ATOM 630 CA SER A 44 -8.640 2.470 -7.124 1.00 0.00 C ATOM 631 C SER A 44 -8.209 3.699 -7.927 1.00 0.00 C ATOM 632 O SER A 44 -8.602 4.810 -7.630 1.00 0.00 O ATOM 633 CB SER A 44 -8.454 2.750 -5.633 1.00 0.00 C ATOM 634 OG SER A 44 -7.147 3.265 -5.412 1.00 0.00 O ATOM 0 H SER A 44 -6.804 1.461 -7.542 1.00 0.00 H new ATOM 0 HA SER A 44 -9.688 2.254 -7.331 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.202 3.464 -5.289 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.599 1.835 -5.058 1.00 0.00 H new ATOM 0 HG SER A 44 -6.520 2.523 -5.287 1.00 0.00 H new ATOM 640 N ASN A 45 -7.403 3.511 -8.937 1.00 0.00 N ATOM 641 CA ASN A 45 -6.949 4.673 -9.753 1.00 0.00 C ATOM 642 C ASN A 45 -5.858 5.438 -8.998 1.00 0.00 C ATOM 643 O ASN A 45 -5.329 6.420 -9.481 1.00 0.00 O ATOM 644 CB ASN A 45 -8.134 5.606 -10.017 1.00 0.00 C ATOM 645 CG ASN A 45 -8.123 6.047 -11.480 1.00 0.00 C ATOM 646 OD1 ASN A 45 -7.192 6.690 -11.926 1.00 0.00 O ATOM 647 ND2 ASN A 45 -9.125 5.729 -12.253 1.00 0.00 N ATOM 0 H ASN A 45 -7.040 2.605 -9.232 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.549 4.313 -10.701 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -9.070 5.096 -9.787 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.077 6.477 -9.364 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -9.127 6.020 -13.231 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -9.906 5.190 -11.880 1.00 0.00 H new ATOM 654 N GLY A 46 -5.517 4.998 -7.816 1.00 0.00 N ATOM 655 CA GLY A 46 -4.462 5.704 -7.034 1.00 0.00 C ATOM 656 C GLY A 46 -5.106 6.793 -6.176 1.00 0.00 C ATOM 657 O GLY A 46 -4.433 7.633 -5.612 1.00 0.00 O ATOM 0 H GLY A 46 -5.923 4.181 -7.359 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.928 4.995 -6.401 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.728 6.144 -7.709 1.00 0.00 H new ATOM 661 N THR A 47 -6.406 6.784 -6.073 1.00 0.00 N ATOM 662 CA THR A 47 -7.098 7.818 -5.251 1.00 0.00 C ATOM 663 C THR A 47 -7.059 7.409 -3.775 1.00 0.00 C ATOM 664 O THR A 47 -7.523 8.125 -2.911 1.00 0.00 O ATOM 665 CB THR A 47 -8.551 7.941 -5.710 1.00 0.00 C ATOM 666 OG1 THR A 47 -9.251 8.808 -4.829 1.00 0.00 O ATOM 667 CG2 THR A 47 -9.210 6.562 -5.705 1.00 0.00 C ATOM 0 H THR A 47 -7.020 6.105 -6.523 1.00 0.00 H new ATOM 0 HA THR A 47 -6.595 8.777 -5.373 1.00 0.00 H new ATOM 0 HB THR A 47 -8.580 8.348 -6.721 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.774 8.861 -3.975 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.246 6.652 -6.033 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.672 5.899 -6.382 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.183 6.150 -4.696 1.00 0.00 H new ATOM 675 N LEU A 48 -6.505 6.266 -3.483 1.00 0.00 N ATOM 676 CA LEU A 48 -6.425 5.804 -2.070 1.00 0.00 C ATOM 677 C LEU A 48 -5.241 6.494 -1.391 1.00 0.00 C ATOM 678 O LEU A 48 -5.388 7.208 -0.424 1.00 0.00 O ATOM 679 CB LEU A 48 -6.242 4.276 -2.071 1.00 0.00 C ATOM 680 CG LEU A 48 -5.432 3.818 -0.854 1.00 0.00 C ATOM 681 CD1 LEU A 48 -6.107 4.314 0.420 1.00 0.00 C ATOM 682 CD2 LEU A 48 -5.364 2.290 -0.836 1.00 0.00 C ATOM 0 H LEU A 48 -6.101 5.627 -4.168 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.334 6.055 -1.522 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.217 3.790 -2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.736 3.968 -2.986 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.423 4.226 -0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.532 3.989 1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.157 5.403 0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.116 3.905 0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.788 1.962 0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.373 1.882 -0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.883 1.936 -1.748 1.00 0.00 H new ATOM 694 N THR A 49 -4.076 6.264 -1.910 1.00 0.00 N ATOM 695 CA THR A 49 -2.839 6.861 -1.359 1.00 0.00 C ATOM 696 C THR A 49 -2.739 6.536 0.122 1.00 0.00 C ATOM 697 O THR A 49 -3.620 5.940 0.684 1.00 0.00 O ATOM 698 CB THR A 49 -2.846 8.372 -1.580 1.00 0.00 C ATOM 699 OG1 THR A 49 -4.060 8.930 -1.094 1.00 0.00 O ATOM 700 CG2 THR A 49 -2.701 8.674 -3.073 1.00 0.00 C ATOM 0 H THR A 49 -3.926 5.665 -2.722 1.00 0.00 H new ATOM 0 HA THR A 49 -1.972 6.444 -1.871 1.00 0.00 H new ATOM 0 HB THR A 49 -2.010 8.815 -1.038 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.505 8.284 -0.506 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.706 9.753 -3.228 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.762 8.259 -3.439 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.532 8.225 -3.617 1.00 0.00 H new ATOM 708 N LEU A 50 -1.646 6.877 0.736 1.00 0.00 N ATOM 709 CA LEU A 50 -1.447 6.562 2.161 1.00 0.00 C ATOM 710 C LEU A 50 -1.436 7.856 2.980 1.00 0.00 C ATOM 711 O LEU A 50 -1.207 8.932 2.465 1.00 0.00 O ATOM 712 CB LEU A 50 -0.117 5.793 2.229 1.00 0.00 C ATOM 713 CG LEU A 50 0.684 6.085 3.492 1.00 0.00 C ATOM 714 CD1 LEU A 50 0.769 4.800 4.292 1.00 0.00 C ATOM 715 CD2 LEU A 50 2.095 6.532 3.104 1.00 0.00 C ATOM 0 H LEU A 50 -0.870 7.371 0.296 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.248 5.955 2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.320 4.724 2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.486 6.047 1.358 1.00 0.00 H new ATOM 0 HG LEU A 50 0.207 6.872 4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.338 4.977 5.205 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.236 4.465 4.550 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.266 4.033 3.697 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.671 6.742 4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.584 5.740 2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.036 7.433 2.493 1.00 0.00 H new ATOM 727 N SER A 51 -1.679 7.748 4.260 1.00 0.00 N ATOM 728 CA SER A 51 -1.685 8.946 5.128 1.00 0.00 C ATOM 729 C SER A 51 -0.467 8.861 6.041 1.00 0.00 C ATOM 730 O SER A 51 0.024 9.852 6.545 1.00 0.00 O ATOM 731 CB SER A 51 -2.967 8.971 5.973 1.00 0.00 C ATOM 732 OG SER A 51 -3.687 10.167 5.708 1.00 0.00 O ATOM 0 H SER A 51 -1.875 6.869 4.739 1.00 0.00 H new ATOM 0 HA SER A 51 -1.651 9.854 4.526 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.585 8.103 5.741 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.718 8.911 7.032 1.00 0.00 H new ATOM 0 HG SER A 51 -4.530 9.948 5.259 1.00 0.00 H new ATOM 738 N HIS A 52 0.026 7.671 6.250 1.00 0.00 N ATOM 739 CA HIS A 52 1.218 7.495 7.121 1.00 0.00 C ATOM 740 C HIS A 52 1.638 6.022 7.107 1.00 0.00 C ATOM 741 O HIS A 52 0.814 5.131 6.998 1.00 0.00 O ATOM 742 CB HIS A 52 0.870 7.916 8.547 1.00 0.00 C ATOM 743 CG HIS A 52 -0.227 7.033 9.069 1.00 0.00 C ATOM 744 ND1 HIS A 52 -0.127 6.375 10.284 1.00 0.00 N ATOM 745 CD2 HIS A 52 -1.447 6.680 8.548 1.00 0.00 C ATOM 746 CE1 HIS A 52 -1.259 5.667 10.453 1.00 0.00 C ATOM 747 NE2 HIS A 52 -2.096 5.819 9.425 1.00 0.00 N ATOM 0 H HIS A 52 -0.349 6.810 5.852 1.00 0.00 H new ATOM 0 HA HIS A 52 2.038 8.111 6.753 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.750 7.840 9.186 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.553 8.959 8.564 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.842 7.019 7.602 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.465 5.051 11.316 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -3.016 5.394 9.308 1.00 0.00 H new ATOM 755 N PHE A 53 2.911 5.757 7.215 1.00 0.00 N ATOM 756 CA PHE A 53 3.379 4.346 7.207 1.00 0.00 C ATOM 757 C PHE A 53 3.054 3.697 8.550 1.00 0.00 C ATOM 758 O PHE A 53 3.565 4.088 9.580 1.00 0.00 O ATOM 759 CB PHE A 53 4.888 4.312 6.975 1.00 0.00 C ATOM 760 CG PHE A 53 5.197 4.836 5.594 1.00 0.00 C ATOM 761 CD1 PHE A 53 5.205 3.961 4.501 1.00 0.00 C ATOM 762 CD2 PHE A 53 5.471 6.196 5.406 1.00 0.00 C ATOM 763 CE1 PHE A 53 5.488 4.446 3.220 1.00 0.00 C ATOM 764 CE2 PHE A 53 5.754 6.681 4.124 1.00 0.00 C ATOM 765 CZ PHE A 53 5.762 5.806 3.030 1.00 0.00 C ATOM 0 H PHE A 53 3.646 6.458 7.308 1.00 0.00 H new ATOM 0 HA PHE A 53 2.877 3.799 6.408 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.396 4.916 7.727 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.260 3.293 7.080 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.993 2.912 4.647 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.464 6.870 6.250 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.495 3.771 2.377 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.966 7.730 3.978 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.979 6.180 2.041 1.00 0.00 H new ATOM 775 N GLY A 54 2.201 2.714 8.546 1.00 0.00 N ATOM 776 CA GLY A 54 1.831 2.043 9.810 1.00 0.00 C ATOM 777 C GLY A 54 0.354 1.675 9.758 1.00 0.00 C ATOM 778 O GLY A 54 -0.320 1.877 8.768 1.00 0.00 O ATOM 0 H GLY A 54 1.743 2.347 7.712 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.438 1.149 9.954 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.026 2.700 10.657 1.00 0.00 H new ATOM 782 N LYS A 55 -0.145 1.142 10.821 1.00 0.00 N ATOM 783 CA LYS A 55 -1.581 0.757 10.863 1.00 0.00 C ATOM 784 C LYS A 55 -2.423 1.988 11.204 1.00 0.00 C ATOM 785 O LYS A 55 -2.402 2.482 12.313 1.00 0.00 O ATOM 786 CB LYS A 55 -1.850 -0.342 11.911 1.00 0.00 C ATOM 787 CG LYS A 55 -0.568 -0.790 12.641 1.00 0.00 C ATOM 788 CD LYS A 55 -0.046 0.331 13.548 1.00 0.00 C ATOM 789 CE LYS A 55 -0.495 0.077 14.988 1.00 0.00 C ATOM 790 NZ LYS A 55 -0.532 1.368 15.732 1.00 0.00 N ATOM 0 H LYS A 55 0.379 0.951 11.675 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.851 0.364 9.883 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.570 0.026 12.642 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.305 -1.203 11.421 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.773 -1.680 13.235 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.196 -1.062 11.913 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.042 0.376 13.498 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.421 1.295 13.204 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.481 -0.388 14.996 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.189 -0.617 15.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.837 1.196 16.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.417 1.794 15.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.201 2.016 15.270 1.00 0.00 H new ATOM 804 N CYS A 56 -3.164 2.483 10.252 1.00 0.00 N ATOM 805 CA CYS A 56 -4.013 3.680 10.507 1.00 0.00 C ATOM 806 C CYS A 56 -4.848 3.456 11.771 1.00 0.00 C ATOM 807 O CYS A 56 -4.434 3.920 12.821 1.00 0.00 O ATOM 808 CB CYS A 56 -4.942 3.902 9.312 1.00 0.00 C ATOM 809 SG CYS A 56 -4.840 5.628 8.777 1.00 0.00 S ATOM 810 OXT CYS A 56 -5.887 2.825 11.668 1.00 0.00 O ATOM 0 H CYS A 56 -3.218 2.108 9.305 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.379 4.556 10.645 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.662 3.240 8.493 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.968 3.655 9.585 1.00 0.00 H new TER 815 CYS A 56