USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=16 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 51 SER OG : rot 82:sc= -2.88! USER MOD Set 1.2: A 52 HIS :FLIP no HD1:sc= -10.7! C(o=-15!,f=-14!) USER MOD Set 2.1: A 44 SER OG : rot -76:sc= 1.15 USER MOD Set 2.2: A 47 THR OG1 : rot -105:sc= 2.13 USER MOD Set 3.1: A 33 ASN : amide:sc= 0.301 K(o=0.33,f=-4.9!) USER MOD Set 3.2: A 36 ASN : amide:sc= 0.0253 X(o=0.33,f=-0.061) USER MOD Set 4.1: A 26 SER OG : rot -176:sc= -0.461! USER MOD Set 4.2: A 49 THR OG1 : rot 17:sc= -0.735! USER MOD Single : A 1 LEU N :NH3+ 161:sc=5.18e-05 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 1:sc= -1.39 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 178:sc= 1.24 USER MOD Single : A 20 TYR OH : rot 120:sc= -0.635 USER MOD Single : A 28 ASN : amide:sc= -0.311 K(o=-0.31,f=-3.1!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.176 USER MOD Single : A 31 TYR OH : rot 180:sc= -0.333 USER MOD Single : A 34 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.17) USER MOD Single : A 39 ASN : amide:sc= -3.48! C(o=-3.5!,f=-7.4!) USER MOD Single : A 45 ASN : amide:sc= -0.0177 X(o=-0.018,f=-0.33) USER MOD Single : A 55 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0526) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 10.509 18.151 -0.156 1.00 0.00 N ATOM 2 CA LEU A 1 9.826 16.842 0.054 1.00 0.00 C ATOM 3 C LEU A 1 10.009 16.401 1.507 1.00 0.00 C ATOM 4 O LEU A 1 11.038 16.632 2.110 1.00 0.00 O ATOM 5 CB LEU A 1 10.435 15.792 -0.877 1.00 0.00 C ATOM 6 CG LEU A 1 9.339 15.193 -1.761 1.00 0.00 C ATOM 7 CD1 LEU A 1 8.892 16.230 -2.790 1.00 0.00 C ATOM 8 CD2 LEU A 1 9.883 13.961 -2.486 1.00 0.00 C ATOM 0 H1 LEU A 1 10.669 18.300 -1.173 1.00 0.00 H new ATOM 0 H2 LEU A 1 9.913 18.917 0.216 1.00 0.00 H new ATOM 0 H3 LEU A 1 11.422 18.150 0.342 1.00 0.00 H new ATOM 0 HA LEU A 1 8.763 16.948 -0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 1 11.209 16.245 -1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 1 10.914 15.007 -0.292 1.00 0.00 H new ATOM 0 HG LEU A 1 8.490 14.905 -1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 1 8.111 15.804 -3.420 1.00 0.00 H new ATOM 0 HD12 LEU A 1 8.504 17.109 -2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 1 9.742 16.518 -3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 1 9.102 13.535 -3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 1 10.732 14.249 -3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 1 10.204 13.220 -1.754 1.00 0.00 H new ATOM 22 N ALA A 2 9.020 15.766 2.075 1.00 0.00 N ATOM 23 CA ALA A 2 9.144 15.313 3.489 1.00 0.00 C ATOM 24 C ALA A 2 8.289 14.062 3.704 1.00 0.00 C ATOM 25 O ALA A 2 8.717 13.102 4.313 1.00 0.00 O ATOM 26 CB ALA A 2 8.665 16.423 4.424 1.00 0.00 C ATOM 0 H ALA A 2 8.134 15.542 1.622 1.00 0.00 H new ATOM 0 HA ALA A 2 10.187 15.081 3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.756 16.092 5.458 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.275 17.314 4.274 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.622 16.656 4.208 1.00 0.00 H new ATOM 32 N ALA A 3 7.080 14.066 3.210 1.00 0.00 N ATOM 33 CA ALA A 3 6.195 12.879 3.388 1.00 0.00 C ATOM 34 C ALA A 3 6.856 11.645 2.771 1.00 0.00 C ATOM 35 O ALA A 3 7.925 11.720 2.201 1.00 0.00 O ATOM 36 CB ALA A 3 4.854 13.131 2.698 1.00 0.00 C ATOM 0 H ALA A 3 6.667 14.841 2.691 1.00 0.00 H new ATOM 0 HA ALA A 3 6.033 12.711 4.453 1.00 0.00 H new ATOM 0 HB1 ALA A 3 4.209 12.263 2.829 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.377 14.007 3.138 1.00 0.00 H new ATOM 0 HB3 ALA A 3 5.019 13.303 1.634 1.00 0.00 H new ATOM 42 N VAL A 4 6.221 10.510 2.880 1.00 0.00 N ATOM 43 CA VAL A 4 6.805 9.268 2.300 1.00 0.00 C ATOM 44 C VAL A 4 5.692 8.437 1.657 1.00 0.00 C ATOM 45 O VAL A 4 4.813 7.935 2.329 1.00 0.00 O ATOM 46 CB VAL A 4 7.473 8.452 3.408 1.00 0.00 C ATOM 47 CG1 VAL A 4 8.405 7.412 2.784 1.00 0.00 C ATOM 48 CG2 VAL A 4 8.282 9.384 4.310 1.00 0.00 C ATOM 0 H VAL A 4 5.322 10.389 3.346 1.00 0.00 H new ATOM 0 HA VAL A 4 7.547 9.532 1.546 1.00 0.00 H new ATOM 0 HB VAL A 4 6.708 7.947 3.999 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.881 6.830 3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.829 6.747 2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.170 7.917 2.193 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.758 8.803 5.100 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.047 9.889 3.719 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.619 10.126 4.755 1.00 0.00 H new ATOM 58 N SER A 5 5.721 8.290 0.361 1.00 0.00 N ATOM 59 CA SER A 5 4.661 7.493 -0.320 1.00 0.00 C ATOM 60 C SER A 5 5.309 6.380 -1.149 1.00 0.00 C ATOM 61 O SER A 5 6.418 6.513 -1.628 1.00 0.00 O ATOM 62 CB SER A 5 3.849 8.404 -1.240 1.00 0.00 C ATOM 63 OG SER A 5 4.198 9.758 -0.987 1.00 0.00 O ATOM 0 H SER A 5 6.431 8.686 -0.255 1.00 0.00 H new ATOM 0 HA SER A 5 4.003 7.052 0.429 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.045 8.155 -2.283 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.783 8.254 -1.071 1.00 0.00 H new ATOM 0 HG SER A 5 3.680 10.345 -1.577 1.00 0.00 H new ATOM 69 N VAL A 6 4.622 5.283 -1.325 1.00 0.00 N ATOM 70 CA VAL A 6 5.197 4.165 -2.124 1.00 0.00 C ATOM 71 C VAL A 6 4.555 4.145 -3.513 1.00 0.00 C ATOM 72 O VAL A 6 3.363 4.326 -3.660 1.00 0.00 O ATOM 73 CB VAL A 6 4.917 2.836 -1.419 1.00 0.00 C ATOM 74 CG1 VAL A 6 5.535 1.691 -2.223 1.00 0.00 C ATOM 75 CG2 VAL A 6 5.530 2.864 -0.018 1.00 0.00 C ATOM 0 H VAL A 6 3.689 5.114 -0.950 1.00 0.00 H new ATOM 0 HA VAL A 6 6.273 4.308 -2.221 1.00 0.00 H new ATOM 0 HB VAL A 6 3.840 2.685 -1.342 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.335 0.744 -1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.099 1.671 -3.222 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.612 1.841 -2.300 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.331 1.918 0.485 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.607 3.015 -0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.090 3.680 0.556 1.00 0.00 H new ATOM 85 N ASP A 7 5.338 3.924 -4.532 1.00 0.00 N ATOM 86 CA ASP A 7 4.776 3.888 -5.911 1.00 0.00 C ATOM 87 C ASP A 7 4.141 2.519 -6.158 1.00 0.00 C ATOM 88 O ASP A 7 4.432 1.557 -5.475 1.00 0.00 O ATOM 89 CB ASP A 7 5.896 4.122 -6.926 1.00 0.00 C ATOM 90 CG ASP A 7 5.322 4.070 -8.343 1.00 0.00 C ATOM 91 OD1 ASP A 7 4.332 4.741 -8.586 1.00 0.00 O ATOM 92 OD2 ASP A 7 5.881 3.359 -9.162 1.00 0.00 O ATOM 0 H ASP A 7 6.344 3.767 -4.469 1.00 0.00 H new ATOM 0 HA ASP A 7 4.022 4.668 -6.020 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.366 5.089 -6.748 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.671 3.365 -6.809 1.00 0.00 H new ATOM 97 N CYS A 8 3.277 2.418 -7.131 1.00 0.00 N ATOM 98 CA CYS A 8 2.632 1.109 -7.417 1.00 0.00 C ATOM 99 C CYS A 8 2.661 0.848 -8.925 1.00 0.00 C ATOM 100 O CYS A 8 1.637 0.661 -9.551 1.00 0.00 O ATOM 101 CB CYS A 8 1.182 1.139 -6.934 1.00 0.00 C ATOM 102 SG CYS A 8 1.140 1.450 -5.150 1.00 0.00 S ATOM 0 H CYS A 8 2.991 3.186 -7.739 1.00 0.00 H new ATOM 0 HA CYS A 8 3.171 0.316 -6.899 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.629 1.916 -7.462 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.694 0.191 -7.159 1.00 0.00 H new ATOM 107 N SER A 9 3.826 0.837 -9.514 1.00 0.00 N ATOM 108 CA SER A 9 3.915 0.590 -10.982 1.00 0.00 C ATOM 109 C SER A 9 4.009 -0.912 -11.243 1.00 0.00 C ATOM 110 O SER A 9 3.567 -1.408 -12.261 1.00 0.00 O ATOM 111 CB SER A 9 5.154 1.289 -11.545 1.00 0.00 C ATOM 112 OG SER A 9 5.752 0.461 -12.533 1.00 0.00 O ATOM 0 H SER A 9 4.718 0.988 -9.044 1.00 0.00 H new ATOM 0 HA SER A 9 3.025 0.986 -11.471 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.878 2.250 -11.978 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.866 1.492 -10.745 1.00 0.00 H new ATOM 0 HG SER A 9 6.545 0.907 -12.897 1.00 0.00 H new ATOM 118 N GLU A 10 4.574 -1.639 -10.326 1.00 0.00 N ATOM 119 CA GLU A 10 4.693 -3.115 -10.505 1.00 0.00 C ATOM 120 C GLU A 10 3.508 -3.789 -9.815 1.00 0.00 C ATOM 121 O GLU A 10 3.602 -4.897 -9.326 1.00 0.00 O ATOM 122 CB GLU A 10 6.002 -3.603 -9.881 1.00 0.00 C ATOM 123 CG GLU A 10 7.173 -2.810 -10.464 1.00 0.00 C ATOM 124 CD GLU A 10 7.758 -1.894 -9.387 1.00 0.00 C ATOM 125 OE1 GLU A 10 7.069 -0.972 -8.982 1.00 0.00 O ATOM 126 OE2 GLU A 10 8.886 -2.130 -8.984 1.00 0.00 O ATOM 0 H GLU A 10 4.961 -1.276 -9.455 1.00 0.00 H new ATOM 0 HA GLU A 10 4.693 -3.364 -11.566 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.969 -3.480 -8.798 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.136 -4.667 -10.077 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.940 -3.492 -10.832 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.837 -2.219 -11.316 1.00 0.00 H new ATOM 133 N TYR A 11 2.394 -3.113 -9.763 1.00 0.00 N ATOM 134 CA TYR A 11 1.194 -3.674 -9.104 1.00 0.00 C ATOM 135 C TYR A 11 0.054 -3.750 -10.126 1.00 0.00 C ATOM 136 O TYR A 11 0.144 -3.172 -11.191 1.00 0.00 O ATOM 137 CB TYR A 11 0.827 -2.749 -7.935 1.00 0.00 C ATOM 138 CG TYR A 11 1.730 -3.081 -6.771 1.00 0.00 C ATOM 139 CD1 TYR A 11 1.420 -4.148 -5.921 1.00 0.00 C ATOM 140 CD2 TYR A 11 2.898 -2.336 -6.559 1.00 0.00 C ATOM 141 CE1 TYR A 11 2.275 -4.468 -4.858 1.00 0.00 C ATOM 142 CE2 TYR A 11 3.749 -2.654 -5.495 1.00 0.00 C ATOM 143 CZ TYR A 11 3.439 -3.720 -4.645 1.00 0.00 C ATOM 144 OH TYR A 11 4.282 -4.036 -3.598 1.00 0.00 O ATOM 0 H TYR A 11 2.268 -2.181 -10.157 1.00 0.00 H new ATOM 0 HA TYR A 11 1.379 -4.679 -8.726 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.947 -1.705 -8.224 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.218 -2.884 -7.656 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.522 -4.725 -6.084 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.141 -1.515 -7.218 1.00 0.00 H new ATOM 0 HE1 TYR A 11 2.036 -5.292 -4.203 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.646 -2.076 -5.330 1.00 0.00 H new ATOM 0 HH TYR A 11 3.929 -4.814 -3.117 1.00 0.00 H new ATOM 154 N PRO A 12 -0.980 -4.464 -9.773 1.00 0.00 N ATOM 155 CA PRO A 12 -1.083 -5.163 -8.484 1.00 0.00 C ATOM 156 C PRO A 12 -0.509 -6.581 -8.566 1.00 0.00 C ATOM 157 O PRO A 12 -0.221 -7.093 -9.629 1.00 0.00 O ATOM 158 CB PRO A 12 -2.593 -5.205 -8.241 1.00 0.00 C ATOM 159 CG PRO A 12 -3.272 -5.054 -9.633 1.00 0.00 C ATOM 160 CD PRO A 12 -2.167 -4.635 -10.624 1.00 0.00 C ATOM 0 HA PRO A 12 -0.524 -4.671 -7.688 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.883 -6.143 -7.768 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.900 -4.402 -7.571 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.733 -5.992 -9.942 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.064 -4.306 -9.598 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.005 -5.395 -11.388 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.424 -3.711 -11.143 1.00 0.00 H new ATOM 168 N LYS A 13 -0.348 -7.212 -7.435 1.00 0.00 N ATOM 169 CA LYS A 13 0.200 -8.598 -7.408 1.00 0.00 C ATOM 170 C LYS A 13 -0.813 -9.522 -6.721 1.00 0.00 C ATOM 171 O LYS A 13 -1.390 -9.156 -5.717 1.00 0.00 O ATOM 172 CB LYS A 13 1.508 -8.598 -6.620 1.00 0.00 C ATOM 173 CG LYS A 13 2.484 -7.609 -7.256 1.00 0.00 C ATOM 174 CD LYS A 13 3.918 -8.033 -6.931 1.00 0.00 C ATOM 175 CE LYS A 13 4.790 -7.881 -8.177 1.00 0.00 C ATOM 176 NZ LYS A 13 6.220 -7.771 -7.769 1.00 0.00 N ATOM 0 H LYS A 13 -0.575 -6.823 -6.520 1.00 0.00 H new ATOM 0 HA LYS A 13 0.384 -8.949 -8.423 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.320 -8.324 -5.582 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.941 -9.598 -6.612 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.337 -7.579 -8.336 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.296 -6.603 -6.881 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.314 -7.422 -6.120 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.934 -9.067 -6.587 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.653 -8.738 -8.837 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.491 -6.996 -8.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.815 -7.667 -8.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.343 -6.940 -7.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.500 -8.628 -7.251 1.00 0.00 H new ATOM 190 N PRO A 14 -1.011 -10.689 -7.286 1.00 0.00 N ATOM 191 CA PRO A 14 -1.966 -11.677 -6.745 1.00 0.00 C ATOM 192 C PRO A 14 -1.351 -12.444 -5.574 1.00 0.00 C ATOM 193 O PRO A 14 -1.853 -13.467 -5.152 1.00 0.00 O ATOM 194 CB PRO A 14 -2.230 -12.602 -7.933 1.00 0.00 C ATOM 195 CG PRO A 14 -1.019 -12.451 -8.885 1.00 0.00 C ATOM 196 CD PRO A 14 -0.323 -11.130 -8.518 1.00 0.00 C ATOM 0 HA PRO A 14 -2.876 -11.222 -6.353 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.338 -13.635 -7.604 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.157 -12.330 -8.438 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -0.334 -13.292 -8.775 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -1.345 -12.440 -9.925 1.00 0.00 H new ATOM 0 HD2 PRO A 14 0.744 -11.275 -8.348 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.421 -10.393 -9.315 1.00 0.00 H new ATOM 204 N ALA A 15 -0.271 -11.952 -5.045 1.00 0.00 N ATOM 205 CA ALA A 15 0.385 -12.641 -3.897 1.00 0.00 C ATOM 206 C ALA A 15 1.554 -11.791 -3.390 1.00 0.00 C ATOM 207 O ALA A 15 2.430 -11.413 -4.144 1.00 0.00 O ATOM 208 CB ALA A 15 0.905 -14.005 -4.352 1.00 0.00 C ATOM 0 H ALA A 15 0.191 -11.098 -5.357 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.339 -12.777 -3.093 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.385 -14.510 -3.513 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.073 -14.610 -4.712 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.629 -13.869 -5.156 1.00 0.00 H new ATOM 214 N CYS A 16 1.575 -11.486 -2.119 1.00 0.00 N ATOM 215 CA CYS A 16 2.691 -10.660 -1.570 1.00 0.00 C ATOM 216 C CYS A 16 3.576 -11.516 -0.667 1.00 0.00 C ATOM 217 O CYS A 16 3.162 -12.541 -0.161 1.00 0.00 O ATOM 218 CB CYS A 16 2.122 -9.509 -0.736 1.00 0.00 C ATOM 219 SG CYS A 16 3.481 -8.458 -0.171 1.00 0.00 S ATOM 0 H CYS A 16 0.870 -11.772 -1.439 1.00 0.00 H new ATOM 0 HA CYS A 16 3.275 -10.268 -2.402 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.418 -8.926 -1.330 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.570 -9.901 0.118 1.00 0.00 H new ATOM 224 N THR A 17 4.787 -11.087 -0.435 1.00 0.00 N ATOM 225 CA THR A 17 5.691 -11.859 0.460 1.00 0.00 C ATOM 226 C THR A 17 5.089 -11.842 1.865 1.00 0.00 C ATOM 227 O THR A 17 3.887 -11.766 2.023 1.00 0.00 O ATOM 228 CB THR A 17 7.078 -11.209 0.478 1.00 0.00 C ATOM 229 OG1 THR A 17 6.969 -9.881 0.969 1.00 0.00 O ATOM 230 CG2 THR A 17 7.651 -11.187 -0.939 1.00 0.00 C ATOM 0 H THR A 17 5.188 -10.235 -0.827 1.00 0.00 H new ATOM 0 HA THR A 17 5.794 -12.885 0.106 1.00 0.00 H new ATOM 0 HB THR A 17 7.741 -11.783 1.126 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.860 -9.477 1.020 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.638 -10.724 -0.925 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.734 -12.207 -1.314 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.991 -10.614 -1.590 1.00 0.00 H new ATOM 238 N LEU A 18 5.894 -11.906 2.888 1.00 0.00 N ATOM 239 CA LEU A 18 5.324 -11.886 4.256 1.00 0.00 C ATOM 240 C LEU A 18 5.843 -10.668 5.024 1.00 0.00 C ATOM 241 O LEU A 18 5.331 -10.332 6.073 1.00 0.00 O ATOM 242 CB LEU A 18 5.697 -13.174 5.003 1.00 0.00 C ATOM 243 CG LEU A 18 7.145 -13.597 4.697 1.00 0.00 C ATOM 244 CD1 LEU A 18 7.256 -14.132 3.268 1.00 0.00 C ATOM 245 CD2 LEU A 18 8.102 -12.413 4.890 1.00 0.00 C ATOM 0 H LEU A 18 6.911 -11.971 2.834 1.00 0.00 H new ATOM 0 HA LEU A 18 4.238 -11.822 4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.579 -13.022 6.076 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.014 -13.974 4.717 1.00 0.00 H new ATOM 0 HG LEU A 18 7.423 -14.390 5.391 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.286 -14.426 3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.603 -14.997 3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.958 -13.355 2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.121 -12.730 4.670 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.820 -11.604 4.217 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.045 -12.064 5.921 1.00 0.00 H new ATOM 257 N GLU A 19 6.845 -9.998 4.516 1.00 0.00 N ATOM 258 CA GLU A 19 7.366 -8.807 5.229 1.00 0.00 C ATOM 259 C GLU A 19 6.193 -7.960 5.684 1.00 0.00 C ATOM 260 O GLU A 19 5.390 -7.511 4.891 1.00 0.00 O ATOM 261 CB GLU A 19 8.241 -7.991 4.291 1.00 0.00 C ATOM 262 CG GLU A 19 9.613 -8.640 4.212 1.00 0.00 C ATOM 263 CD GLU A 19 9.990 -8.830 2.746 1.00 0.00 C ATOM 264 OE1 GLU A 19 9.156 -9.327 2.005 1.00 0.00 O ATOM 265 OE2 GLU A 19 11.098 -8.481 2.389 1.00 0.00 O ATOM 0 H GLU A 19 7.319 -10.227 3.642 1.00 0.00 H new ATOM 0 HA GLU A 19 7.958 -9.122 6.089 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.789 -7.942 3.300 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.328 -6.966 4.652 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.354 -8.017 4.713 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.605 -9.601 4.726 1.00 0.00 H new ATOM 272 N TYR A 20 6.078 -7.747 6.953 1.00 0.00 N ATOM 273 CA TYR A 20 4.939 -6.936 7.447 1.00 0.00 C ATOM 274 C TYR A 20 5.318 -5.468 7.490 1.00 0.00 C ATOM 275 O TYR A 20 6.203 -5.040 8.204 1.00 0.00 O ATOM 276 CB TYR A 20 4.503 -7.396 8.828 1.00 0.00 C ATOM 277 CG TYR A 20 3.177 -6.756 9.171 1.00 0.00 C ATOM 278 CD1 TYR A 20 2.143 -6.731 8.222 1.00 0.00 C ATOM 279 CD2 TYR A 20 2.979 -6.185 10.433 1.00 0.00 C ATOM 280 CE1 TYR A 20 0.913 -6.138 8.537 1.00 0.00 C ATOM 281 CE2 TYR A 20 1.749 -5.591 10.748 1.00 0.00 C ATOM 282 CZ TYR A 20 0.718 -5.567 9.801 1.00 0.00 C ATOM 283 OH TYR A 20 -0.492 -4.982 10.112 1.00 0.00 O ATOM 0 H TYR A 20 6.716 -8.094 7.669 1.00 0.00 H new ATOM 0 HA TYR A 20 4.105 -7.071 6.758 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.413 -8.482 8.851 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.254 -7.123 9.569 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.296 -7.170 7.247 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.774 -6.202 11.164 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.117 -6.121 7.807 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.596 -5.151 11.723 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.889 -5.441 10.882 1.00 0.00 H new ATOM 293 N ARG A 21 4.614 -4.709 6.726 1.00 0.00 N ATOM 294 CA ARG A 21 4.836 -3.243 6.655 1.00 0.00 C ATOM 295 C ARG A 21 3.490 -2.622 6.292 1.00 0.00 C ATOM 296 O ARG A 21 3.274 -2.229 5.164 1.00 0.00 O ATOM 297 CB ARG A 21 5.875 -2.927 5.573 1.00 0.00 C ATOM 298 CG ARG A 21 6.880 -4.082 5.470 1.00 0.00 C ATOM 299 CD ARG A 21 8.123 -3.612 4.714 1.00 0.00 C ATOM 300 NE ARG A 21 9.335 -4.231 5.322 1.00 0.00 N ATOM 301 CZ ARG A 21 10.470 -3.589 5.311 1.00 0.00 C ATOM 302 NH1 ARG A 21 10.646 -2.564 6.098 1.00 0.00 N ATOM 303 NH2 ARG A 21 11.431 -3.974 4.515 1.00 0.00 N ATOM 0 H ARG A 21 3.865 -5.049 6.123 1.00 0.00 H new ATOM 0 HA ARG A 21 5.209 -2.848 7.600 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.381 -2.775 4.613 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.395 -2.000 5.814 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.156 -4.427 6.466 1.00 0.00 H new ATOM 0 HG3 ARG A 21 6.426 -4.928 4.954 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.049 -3.888 3.662 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.197 -2.525 4.754 1.00 0.00 H new ATOM 0 HE ARG A 21 9.277 -5.157 5.747 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.896 -2.265 6.722 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.534 -2.061 6.090 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.294 -4.777 3.901 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.319 -3.471 4.507 1.00 0.00 H new ATOM 317 N PRO A 22 2.613 -2.592 7.266 1.00 0.00 N ATOM 318 CA PRO A 22 1.234 -2.093 7.094 1.00 0.00 C ATOM 319 C PRO A 22 1.193 -0.628 6.729 1.00 0.00 C ATOM 320 O PRO A 22 1.746 0.197 7.407 1.00 0.00 O ATOM 321 CB PRO A 22 0.582 -2.335 8.464 1.00 0.00 C ATOM 322 CG PRO A 22 1.739 -2.492 9.469 1.00 0.00 C ATOM 323 CD PRO A 22 2.937 -3.001 8.650 1.00 0.00 C ATOM 0 HA PRO A 22 0.720 -2.599 6.277 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.063 -1.501 8.741 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.042 -3.229 8.446 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.970 -1.542 9.951 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.478 -3.196 10.259 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.873 -2.557 8.990 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.048 -4.082 8.733 1.00 0.00 H new ATOM 331 N LEU A 23 0.530 -0.288 5.663 1.00 0.00 N ATOM 332 CA LEU A 23 0.450 1.135 5.298 1.00 0.00 C ATOM 333 C LEU A 23 -1.010 1.564 5.357 1.00 0.00 C ATOM 334 O LEU A 23 -1.877 0.929 4.785 1.00 0.00 O ATOM 335 CB LEU A 23 1.016 1.311 3.900 1.00 0.00 C ATOM 336 CG LEU A 23 2.332 0.545 3.832 1.00 0.00 C ATOM 337 CD1 LEU A 23 2.297 -0.432 2.667 1.00 0.00 C ATOM 338 CD2 LEU A 23 3.478 1.528 3.641 1.00 0.00 C ATOM 0 H LEU A 23 0.046 -0.933 5.038 1.00 0.00 H new ATOM 0 HA LEU A 23 1.027 1.753 5.986 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.316 0.935 3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.177 2.367 3.683 1.00 0.00 H new ATOM 0 HG LEU A 23 2.478 -0.009 4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.239 -0.978 2.621 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.476 -1.136 2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.150 0.116 1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.421 0.983 3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.331 2.083 2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.504 2.224 4.480 1.00 0.00 H new ATOM 350 N CYS A 24 -1.297 2.629 6.050 1.00 0.00 N ATOM 351 CA CYS A 24 -2.712 3.077 6.132 1.00 0.00 C ATOM 352 C CYS A 24 -3.032 3.825 4.845 1.00 0.00 C ATOM 353 O CYS A 24 -2.145 4.219 4.114 1.00 0.00 O ATOM 354 CB CYS A 24 -2.929 3.976 7.356 1.00 0.00 C ATOM 355 SG CYS A 24 -4.661 4.498 7.432 1.00 0.00 S ATOM 0 H CYS A 24 -0.622 3.202 6.557 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.375 2.220 6.245 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.661 3.439 8.266 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.279 4.849 7.298 1.00 0.00 H new ATOM 360 N GLY A 25 -4.278 3.986 4.528 1.00 0.00 N ATOM 361 CA GLY A 25 -4.617 4.660 3.251 1.00 0.00 C ATOM 362 C GLY A 25 -5.661 5.748 3.439 1.00 0.00 C ATOM 363 O GLY A 25 -6.237 5.904 4.494 1.00 0.00 O ATOM 0 H GLY A 25 -5.073 3.683 5.091 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.715 5.094 2.820 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.987 3.922 2.539 1.00 0.00 H new ATOM 367 N SER A 26 -5.872 6.528 2.413 1.00 0.00 N ATOM 368 CA SER A 26 -6.848 7.646 2.499 1.00 0.00 C ATOM 369 C SER A 26 -8.261 7.092 2.714 1.00 0.00 C ATOM 370 O SER A 26 -9.141 7.782 3.189 1.00 0.00 O ATOM 371 CB SER A 26 -6.775 8.441 1.197 1.00 0.00 C ATOM 372 OG SER A 26 -5.472 8.293 0.658 1.00 0.00 O ATOM 0 H SER A 26 -5.404 6.435 1.511 1.00 0.00 H new ATOM 0 HA SER A 26 -6.610 8.295 3.342 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.522 8.081 0.490 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.992 9.493 1.382 1.00 0.00 H new ATOM 0 HG SER A 26 -5.388 8.842 -0.150 1.00 0.00 H new ATOM 378 N ASP A 27 -8.482 5.849 2.381 1.00 0.00 N ATOM 379 CA ASP A 27 -9.837 5.255 2.586 1.00 0.00 C ATOM 380 C ASP A 27 -10.137 5.194 4.086 1.00 0.00 C ATOM 381 O ASP A 27 -11.256 4.960 4.497 1.00 0.00 O ATOM 382 CB ASP A 27 -9.881 3.841 1.999 1.00 0.00 C ATOM 383 CG ASP A 27 -8.550 3.134 2.262 1.00 0.00 C ATOM 384 OD1 ASP A 27 -8.066 3.221 3.378 1.00 0.00 O ATOM 385 OD2 ASP A 27 -8.037 2.519 1.341 1.00 0.00 O ATOM 0 H ASP A 27 -7.787 5.221 1.978 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.582 5.872 2.084 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.699 3.276 2.446 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.074 3.887 0.927 1.00 0.00 H new ATOM 390 N ASN A 28 -9.135 5.411 4.898 1.00 0.00 N ATOM 391 CA ASN A 28 -9.319 5.385 6.380 1.00 0.00 C ATOM 392 C ASN A 28 -9.205 3.950 6.904 1.00 0.00 C ATOM 393 O ASN A 28 -9.812 3.594 7.894 1.00 0.00 O ATOM 394 CB ASN A 28 -10.688 5.963 6.751 1.00 0.00 C ATOM 395 CG ASN A 28 -10.579 6.716 8.078 1.00 0.00 C ATOM 396 OD1 ASN A 28 -9.504 6.845 8.629 1.00 0.00 O ATOM 397 ND2 ASN A 28 -11.653 7.223 8.618 1.00 0.00 N ATOM 0 H ASN A 28 -8.182 5.608 4.592 1.00 0.00 H new ATOM 0 HA ASN A 28 -8.538 5.993 6.837 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.036 6.635 5.966 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.423 5.162 6.834 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.590 7.727 9.502 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -12.556 7.115 8.156 1.00 0.00 H new ATOM 404 N LYS A 29 -8.425 3.125 6.256 1.00 0.00 N ATOM 405 CA LYS A 29 -8.269 1.722 6.730 1.00 0.00 C ATOM 406 C LYS A 29 -6.785 1.359 6.763 1.00 0.00 C ATOM 407 O LYS A 29 -5.923 2.207 6.665 1.00 0.00 O ATOM 408 CB LYS A 29 -9.003 0.758 5.792 1.00 0.00 C ATOM 409 CG LYS A 29 -10.031 1.516 4.953 1.00 0.00 C ATOM 410 CD LYS A 29 -11.221 0.602 4.649 1.00 0.00 C ATOM 411 CE LYS A 29 -12.433 1.046 5.470 1.00 0.00 C ATOM 412 NZ LYS A 29 -12.683 0.064 6.563 1.00 0.00 N ATOM 0 H LYS A 29 -7.891 3.363 5.420 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.695 1.639 7.730 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.287 0.259 5.139 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.499 -0.019 6.373 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.369 2.404 5.488 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.576 1.858 4.024 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.457 0.637 3.585 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.968 -0.432 4.885 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.257 2.036 5.890 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.311 1.123 4.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.507 0.367 7.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.869 -0.873 6.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.848 0.012 7.181 1.00 0.00 H new ATOM 426 N THR A 30 -6.482 0.100 6.899 1.00 0.00 N ATOM 427 CA THR A 30 -5.052 -0.324 6.939 1.00 0.00 C ATOM 428 C THR A 30 -4.814 -1.404 5.887 1.00 0.00 C ATOM 429 O THR A 30 -5.719 -2.108 5.488 1.00 0.00 O ATOM 430 CB THR A 30 -4.717 -0.888 8.326 1.00 0.00 C ATOM 431 OG1 THR A 30 -4.628 0.180 9.259 1.00 0.00 O ATOM 432 CG2 THR A 30 -3.378 -1.638 8.277 1.00 0.00 C ATOM 0 H THR A 30 -7.161 -0.656 6.984 1.00 0.00 H new ATOM 0 HA THR A 30 -4.416 0.537 6.734 1.00 0.00 H new ATOM 0 HB THR A 30 -5.502 -1.579 8.632 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.416 -0.178 10.146 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.147 -2.035 9.265 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.447 -2.459 7.563 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.588 -0.953 7.968 1.00 0.00 H new ATOM 440 N TYR A 31 -3.596 -1.555 5.454 1.00 0.00 N ATOM 441 CA TYR A 31 -3.292 -2.603 4.454 1.00 0.00 C ATOM 442 C TYR A 31 -2.153 -3.462 4.995 1.00 0.00 C ATOM 443 O TYR A 31 -1.127 -2.954 5.403 1.00 0.00 O ATOM 444 CB TYR A 31 -2.919 -1.967 3.109 1.00 0.00 C ATOM 445 CG TYR A 31 -4.190 -1.641 2.359 1.00 0.00 C ATOM 446 CD1 TYR A 31 -4.950 -2.673 1.796 1.00 0.00 C ATOM 447 CD2 TYR A 31 -4.618 -0.311 2.241 1.00 0.00 C ATOM 448 CE1 TYR A 31 -6.135 -2.379 1.113 1.00 0.00 C ATOM 449 CE2 TYR A 31 -5.806 -0.019 1.557 1.00 0.00 C ATOM 450 CZ TYR A 31 -6.564 -1.053 0.994 1.00 0.00 C ATOM 451 OH TYR A 31 -7.738 -0.769 0.325 1.00 0.00 O ATOM 0 H TYR A 31 -2.798 -0.994 5.753 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.168 -3.228 4.283 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.332 -1.063 3.268 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.301 -2.650 2.526 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.621 -3.697 1.889 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.034 0.486 2.676 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.719 -3.176 0.677 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.137 1.005 1.464 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.893 0.199 0.333 1.00 0.00 H new ATOM 461 N GLY A 32 -2.354 -4.758 5.040 1.00 0.00 N ATOM 462 CA GLY A 32 -1.321 -5.680 5.595 1.00 0.00 C ATOM 463 C GLY A 32 0.082 -5.146 5.326 1.00 0.00 C ATOM 464 O GLY A 32 0.886 -5.012 6.226 1.00 0.00 O ATOM 0 H GLY A 32 -3.202 -5.219 4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.471 -5.797 6.668 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.431 -6.668 5.148 1.00 0.00 H new ATOM 468 N ASN A 33 0.394 -4.832 4.100 1.00 0.00 N ATOM 469 CA ASN A 33 1.756 -4.307 3.825 1.00 0.00 C ATOM 470 C ASN A 33 1.812 -3.602 2.471 1.00 0.00 C ATOM 471 O ASN A 33 0.806 -3.257 1.887 1.00 0.00 O ATOM 472 CB ASN A 33 2.778 -5.451 3.879 1.00 0.00 C ATOM 473 CG ASN A 33 2.424 -6.541 2.866 1.00 0.00 C ATOM 474 OD1 ASN A 33 1.558 -6.362 2.032 1.00 0.00 O ATOM 475 ND2 ASN A 33 3.074 -7.676 2.908 1.00 0.00 N ATOM 0 H ASN A 33 -0.223 -4.914 3.292 1.00 0.00 H new ATOM 0 HA ASN A 33 2.003 -3.573 4.592 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.776 -5.064 3.671 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.804 -5.875 4.883 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.855 -8.414 2.239 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.800 -7.822 3.609 1.00 0.00 H new ATOM 482 N LYS A 34 3.000 -3.351 1.999 1.00 0.00 N ATOM 483 CA LYS A 34 3.181 -2.625 0.711 1.00 0.00 C ATOM 484 C LYS A 34 2.319 -3.213 -0.401 1.00 0.00 C ATOM 485 O LYS A 34 1.756 -2.489 -1.189 1.00 0.00 O ATOM 486 CB LYS A 34 4.649 -2.703 0.296 1.00 0.00 C ATOM 487 CG LYS A 34 4.976 -4.136 -0.134 1.00 0.00 C ATOM 488 CD LYS A 34 6.491 -4.299 -0.266 1.00 0.00 C ATOM 489 CE LYS A 34 6.910 -3.988 -1.704 1.00 0.00 C ATOM 490 NZ LYS A 34 7.381 -2.577 -1.789 1.00 0.00 N ATOM 0 H LYS A 34 3.869 -3.623 2.459 1.00 0.00 H new ATOM 0 HA LYS A 34 2.874 -1.590 0.864 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.845 -2.011 -0.523 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.290 -2.404 1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.586 -4.844 0.598 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.492 -4.361 -1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.002 -3.630 0.426 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.783 -5.315 -0.002 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.703 -4.667 -2.018 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.070 -4.144 -2.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.096 -2.170 -2.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.959 -2.023 -1.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.417 -2.551 -1.707 1.00 0.00 H new ATOM 504 N CYS A 35 2.228 -4.503 -0.507 1.00 0.00 N ATOM 505 CA CYS A 35 1.419 -5.080 -1.599 1.00 0.00 C ATOM 506 C CYS A 35 -0.063 -4.796 -1.363 1.00 0.00 C ATOM 507 O CYS A 35 -0.737 -4.252 -2.211 1.00 0.00 O ATOM 508 CB CYS A 35 1.667 -6.580 -1.654 1.00 0.00 C ATOM 509 SG CYS A 35 3.434 -6.899 -1.446 1.00 0.00 S ATOM 0 H CYS A 35 2.677 -5.177 0.113 1.00 0.00 H new ATOM 0 HA CYS A 35 1.706 -4.627 -2.548 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.100 -7.083 -0.871 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.322 -6.983 -2.606 1.00 0.00 H new ATOM 514 N ASN A 36 -0.581 -5.160 -0.224 1.00 0.00 N ATOM 515 CA ASN A 36 -2.022 -4.903 0.045 1.00 0.00 C ATOM 516 C ASN A 36 -2.307 -3.400 -0.049 1.00 0.00 C ATOM 517 O ASN A 36 -3.431 -2.986 -0.241 1.00 0.00 O ATOM 518 CB ASN A 36 -2.382 -5.414 1.440 1.00 0.00 C ATOM 519 CG ASN A 36 -2.354 -6.942 1.428 1.00 0.00 C ATOM 520 OD1 ASN A 36 -3.382 -7.581 1.324 1.00 0.00 O ATOM 521 ND2 ASN A 36 -1.210 -7.555 1.530 1.00 0.00 N ATOM 0 H ASN A 36 -0.072 -5.622 0.529 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.626 -5.426 -0.696 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.676 -5.030 2.176 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.370 -5.057 1.729 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.175 -8.574 1.523 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.349 -7.016 1.617 1.00 0.00 H new ATOM 528 N PHE A 37 -1.297 -2.578 0.074 1.00 0.00 N ATOM 529 CA PHE A 37 -1.522 -1.106 -0.020 1.00 0.00 C ATOM 530 C PHE A 37 -1.621 -0.706 -1.482 1.00 0.00 C ATOM 531 O PHE A 37 -2.537 -0.034 -1.916 1.00 0.00 O ATOM 532 CB PHE A 37 -0.349 -0.347 0.615 1.00 0.00 C ATOM 533 CG PHE A 37 -0.535 1.118 0.370 1.00 0.00 C ATOM 534 CD1 PHE A 37 -1.683 1.767 0.806 1.00 0.00 C ATOM 535 CD2 PHE A 37 0.439 1.808 -0.341 1.00 0.00 C ATOM 536 CE1 PHE A 37 -1.862 3.130 0.526 1.00 0.00 C ATOM 537 CE2 PHE A 37 0.273 3.167 -0.618 1.00 0.00 C ATOM 538 CZ PHE A 37 -0.882 3.827 -0.187 1.00 0.00 C ATOM 0 H PHE A 37 -0.330 -2.861 0.235 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.444 -0.858 0.507 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.304 -0.548 1.685 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.595 -0.685 0.187 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.435 1.224 1.359 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.326 1.293 -0.680 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.754 3.639 0.860 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.034 3.706 -1.163 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.017 4.876 -0.405 1.00 0.00 H new ATOM 548 N CYS A 38 -0.662 -1.125 -2.220 1.00 0.00 N ATOM 549 CA CYS A 38 -0.604 -0.810 -3.674 1.00 0.00 C ATOM 550 C CYS A 38 -1.833 -1.379 -4.369 1.00 0.00 C ATOM 551 O CYS A 38 -2.287 -0.849 -5.355 1.00 0.00 O ATOM 552 CB CYS A 38 0.658 -1.424 -4.287 1.00 0.00 C ATOM 553 SG CYS A 38 1.985 -0.190 -4.325 1.00 0.00 S ATOM 0 H CYS A 38 0.115 -1.691 -1.879 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.580 0.272 -3.805 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.971 -2.291 -3.705 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.448 -1.777 -5.297 1.00 0.00 H new ATOM 558 N ASN A 39 -2.382 -2.447 -3.863 1.00 0.00 N ATOM 559 CA ASN A 39 -3.587 -3.021 -4.499 1.00 0.00 C ATOM 560 C ASN A 39 -4.735 -2.031 -4.317 1.00 0.00 C ATOM 561 O ASN A 39 -5.611 -1.907 -5.150 1.00 0.00 O ATOM 562 CB ASN A 39 -3.917 -4.347 -3.821 1.00 0.00 C ATOM 563 CG ASN A 39 -3.207 -5.477 -4.556 1.00 0.00 C ATOM 564 OD1 ASN A 39 -3.364 -5.635 -5.750 1.00 0.00 O ATOM 565 ND2 ASN A 39 -2.424 -6.274 -3.890 1.00 0.00 N ATOM 0 H ASN A 39 -2.045 -2.943 -3.038 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.423 -3.200 -5.562 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.604 -4.323 -2.777 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.994 -4.514 -3.827 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.941 -7.033 -4.370 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.293 -6.140 -2.887 1.00 0.00 H new ATOM 572 N ALA A 40 -4.711 -1.301 -3.238 1.00 0.00 N ATOM 573 CA ALA A 40 -5.768 -0.288 -2.993 1.00 0.00 C ATOM 574 C ALA A 40 -5.460 0.931 -3.859 1.00 0.00 C ATOM 575 O ALA A 40 -6.327 1.715 -4.191 1.00 0.00 O ATOM 576 CB ALA A 40 -5.742 0.115 -1.519 1.00 0.00 C ATOM 0 H ALA A 40 -3.998 -1.365 -2.511 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.751 -0.689 -3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.516 0.859 -1.332 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.924 -0.762 -0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.767 0.536 -1.274 1.00 0.00 H new ATOM 582 N VAL A 41 -4.219 1.080 -4.229 1.00 0.00 N ATOM 583 CA VAL A 41 -3.812 2.229 -5.081 1.00 0.00 C ATOM 584 C VAL A 41 -4.072 1.879 -6.544 1.00 0.00 C ATOM 585 O VAL A 41 -4.261 2.738 -7.379 1.00 0.00 O ATOM 586 CB VAL A 41 -2.319 2.481 -4.895 1.00 0.00 C ATOM 587 CG1 VAL A 41 -1.828 3.457 -5.967 1.00 0.00 C ATOM 588 CG2 VAL A 41 -2.079 3.066 -3.503 1.00 0.00 C ATOM 0 H VAL A 41 -3.461 0.446 -3.974 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.379 3.117 -4.801 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.770 1.544 -4.992 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.761 3.637 -5.834 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.004 3.031 -6.955 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.369 4.399 -5.877 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.013 3.248 -3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.624 4.005 -3.404 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.428 2.362 -2.747 1.00 0.00 H new ATOM 598 N VAL A 42 -4.075 0.617 -6.856 1.00 0.00 N ATOM 599 CA VAL A 42 -4.316 0.192 -8.260 1.00 0.00 C ATOM 600 C VAL A 42 -5.821 0.039 -8.467 1.00 0.00 C ATOM 601 O VAL A 42 -6.317 0.057 -9.576 1.00 0.00 O ATOM 602 CB VAL A 42 -3.613 -1.147 -8.513 1.00 0.00 C ATOM 603 CG1 VAL A 42 -2.185 -1.102 -7.964 1.00 0.00 C ATOM 604 CG2 VAL A 42 -4.378 -2.261 -7.812 1.00 0.00 C ATOM 0 H VAL A 42 -3.920 -0.144 -6.195 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.922 0.934 -8.955 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.582 -1.333 -9.587 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.694 -2.058 -8.148 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.629 -0.307 -8.460 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.213 -0.910 -6.891 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.879 -3.213 -7.991 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.408 -2.063 -6.741 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.395 -2.305 -8.202 1.00 0.00 H new ATOM 614 N GLU A 43 -6.550 -0.094 -7.394 1.00 0.00 N ATOM 615 CA GLU A 43 -8.023 -0.230 -7.496 1.00 0.00 C ATOM 616 C GLU A 43 -8.643 1.157 -7.414 1.00 0.00 C ATOM 617 O GLU A 43 -9.672 1.431 -8.000 1.00 0.00 O ATOM 618 CB GLU A 43 -8.556 -1.088 -6.342 1.00 0.00 C ATOM 619 CG GLU A 43 -7.984 -0.635 -5.019 1.00 0.00 C ATOM 620 CD GLU A 43 -9.066 0.097 -4.223 1.00 0.00 C ATOM 621 OE1 GLU A 43 -9.713 0.960 -4.795 1.00 0.00 O ATOM 622 OE2 GLU A 43 -9.230 -0.216 -3.055 1.00 0.00 O ATOM 0 H GLU A 43 -6.181 -0.114 -6.443 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.280 -0.709 -8.441 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.644 -1.027 -6.312 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.300 -2.134 -6.514 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.619 -1.493 -4.455 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.131 0.023 -5.185 1.00 0.00 H new ATOM 629 N SER A 44 -8.024 2.035 -6.677 1.00 0.00 N ATOM 630 CA SER A 44 -8.574 3.410 -6.537 1.00 0.00 C ATOM 631 C SER A 44 -8.120 4.272 -7.713 1.00 0.00 C ATOM 632 O SER A 44 -8.313 5.471 -7.721 1.00 0.00 O ATOM 633 CB SER A 44 -8.071 4.031 -5.235 1.00 0.00 C ATOM 634 OG SER A 44 -9.043 4.948 -4.747 1.00 0.00 O ATOM 0 H SER A 44 -7.160 1.859 -6.165 1.00 0.00 H new ATOM 0 HA SER A 44 -9.663 3.359 -6.524 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.885 3.252 -4.495 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.124 4.543 -5.405 1.00 0.00 H new ATOM 0 HG SER A 44 -9.011 5.772 -5.277 1.00 0.00 H new ATOM 640 N ASN A 45 -7.513 3.679 -8.705 1.00 0.00 N ATOM 641 CA ASN A 45 -7.047 4.475 -9.866 1.00 0.00 C ATOM 642 C ASN A 45 -6.013 5.496 -9.386 1.00 0.00 C ATOM 643 O ASN A 45 -5.840 6.547 -9.970 1.00 0.00 O ATOM 644 CB ASN A 45 -8.235 5.198 -10.496 1.00 0.00 C ATOM 645 CG ASN A 45 -9.064 4.206 -11.312 1.00 0.00 C ATOM 646 OD1 ASN A 45 -8.535 3.491 -12.140 1.00 0.00 O ATOM 647 ND2 ASN A 45 -10.351 4.130 -11.110 1.00 0.00 N ATOM 0 H ASN A 45 -7.322 2.678 -8.758 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.594 3.819 -10.609 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.852 5.651 -9.720 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -7.884 6.007 -11.136 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -10.913 3.470 -11.647 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -10.794 4.730 -10.415 1.00 0.00 H new ATOM 654 N GLY A 46 -5.330 5.189 -8.317 1.00 0.00 N ATOM 655 CA GLY A 46 -4.306 6.128 -7.777 1.00 0.00 C ATOM 656 C GLY A 46 -4.999 7.366 -7.219 1.00 0.00 C ATOM 657 O GLY A 46 -4.433 8.439 -7.154 1.00 0.00 O ATOM 0 H GLY A 46 -5.438 4.322 -7.791 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.725 5.639 -6.995 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.607 6.412 -8.563 1.00 0.00 H new ATOM 661 N THR A 47 -6.218 7.209 -6.792 1.00 0.00 N ATOM 662 CA THR A 47 -6.963 8.354 -6.205 1.00 0.00 C ATOM 663 C THR A 47 -7.018 8.167 -4.690 1.00 0.00 C ATOM 664 O THR A 47 -7.551 8.987 -3.970 1.00 0.00 O ATOM 665 CB THR A 47 -8.384 8.383 -6.767 1.00 0.00 C ATOM 666 OG1 THR A 47 -9.131 7.305 -6.220 1.00 0.00 O ATOM 667 CG2 THR A 47 -8.335 8.249 -8.288 1.00 0.00 C ATOM 0 H THR A 47 -6.734 6.330 -6.825 1.00 0.00 H new ATOM 0 HA THR A 47 -6.464 9.291 -6.451 1.00 0.00 H new ATOM 0 HB THR A 47 -8.860 9.327 -6.502 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.236 6.604 -6.896 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.349 8.270 -8.688 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.762 9.076 -8.708 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.859 7.306 -8.555 1.00 0.00 H new ATOM 675 N LEU A 48 -6.465 7.088 -4.201 1.00 0.00 N ATOM 676 CA LEU A 48 -6.471 6.830 -2.752 1.00 0.00 C ATOM 677 C LEU A 48 -5.361 7.661 -2.114 1.00 0.00 C ATOM 678 O LEU A 48 -5.606 8.703 -1.552 1.00 0.00 O ATOM 679 CB LEU A 48 -6.238 5.321 -2.572 1.00 0.00 C ATOM 680 CG LEU A 48 -5.409 5.000 -1.329 1.00 0.00 C ATOM 681 CD1 LEU A 48 -6.262 4.180 -0.388 1.00 0.00 C ATOM 682 CD2 LEU A 48 -4.174 4.195 -1.742 1.00 0.00 C ATOM 0 H LEU A 48 -6.005 6.371 -4.762 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.410 7.108 -2.274 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.200 4.814 -2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.732 4.927 -3.454 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.088 5.918 -0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.688 3.940 0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.148 4.751 -0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.566 3.257 -0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.579 3.963 -0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.488 3.268 -2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.575 4.780 -2.440 1.00 0.00 H new ATOM 694 N THR A 49 -4.156 7.172 -2.217 1.00 0.00 N ATOM 695 CA THR A 49 -2.957 7.838 -1.653 1.00 0.00 C ATOM 696 C THR A 49 -2.636 7.267 -0.285 1.00 0.00 C ATOM 697 O THR A 49 -3.497 7.061 0.547 1.00 0.00 O ATOM 698 CB THR A 49 -3.132 9.342 -1.538 1.00 0.00 C ATOM 699 OG1 THR A 49 -3.911 9.664 -0.394 1.00 0.00 O ATOM 700 CG2 THR A 49 -3.791 9.876 -2.794 1.00 0.00 C ATOM 0 H THR A 49 -3.950 6.294 -2.694 1.00 0.00 H new ATOM 0 HA THR A 49 -2.135 7.648 -2.343 1.00 0.00 H new ATOM 0 HB THR A 49 -2.152 9.807 -1.426 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.938 8.893 0.211 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.915 10.956 -2.709 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.165 9.650 -3.657 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.767 9.407 -2.920 1.00 0.00 H new ATOM 708 N LEU A 50 -1.388 7.023 -0.057 1.00 0.00 N ATOM 709 CA LEU A 50 -0.942 6.480 1.237 1.00 0.00 C ATOM 710 C LEU A 50 -1.170 7.548 2.307 1.00 0.00 C ATOM 711 O LEU A 50 -1.238 8.724 2.012 1.00 0.00 O ATOM 712 CB LEU A 50 0.555 6.187 1.121 1.00 0.00 C ATOM 713 CG LEU A 50 1.171 5.934 2.491 1.00 0.00 C ATOM 714 CD1 LEU A 50 0.787 4.536 2.972 1.00 0.00 C ATOM 715 CD2 LEU A 50 2.684 6.033 2.354 1.00 0.00 C ATOM 0 H LEU A 50 -0.640 7.182 -0.732 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.487 5.574 1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.710 5.317 0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.057 7.028 0.642 1.00 0.00 H new ATOM 0 HG LEU A 50 0.809 6.666 3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.228 4.355 3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.298 4.461 3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.157 3.794 2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.150 5.855 3.323 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.034 5.287 1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.953 7.028 1.999 1.00 0.00 H new ATOM 727 N SER A 51 -1.251 7.163 3.540 1.00 0.00 N ATOM 728 CA SER A 51 -1.431 8.170 4.617 1.00 0.00 C ATOM 729 C SER A 51 -0.121 8.225 5.383 1.00 0.00 C ATOM 730 O SER A 51 0.393 9.271 5.728 1.00 0.00 O ATOM 731 CB SER A 51 -2.543 7.728 5.563 1.00 0.00 C ATOM 732 OG SER A 51 -2.414 6.337 5.823 1.00 0.00 O ATOM 0 H SER A 51 -1.201 6.194 3.853 1.00 0.00 H new ATOM 0 HA SER A 51 -1.697 9.141 4.200 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.488 8.290 6.495 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.517 7.938 5.121 1.00 0.00 H new ATOM 0 HG SER A 51 -1.742 6.196 6.522 1.00 0.00 H new ATOM 738 N HIS A 52 0.409 7.071 5.632 1.00 0.00 N ATOM 739 CA HIS A 52 1.696 6.946 6.366 1.00 0.00 C ATOM 740 C HIS A 52 2.041 5.462 6.455 1.00 0.00 C ATOM 741 O HIS A 52 1.209 4.607 6.217 1.00 0.00 O ATOM 742 CB HIS A 52 1.532 7.485 7.788 1.00 0.00 C ATOM 743 CG HIS A 52 0.566 6.586 8.497 1.00 0.00 C ATOM 744 ND1 HIS A 52 -0.458 5.826 8.013 1.00 0.00 N flip ATOM 745 CD2 HIS A 52 0.619 6.332 9.857 1.00 0.00 C flip ATOM 746 CE1 HIS A 52 -1.039 5.102 9.044 1.00 0.00 C flip ATOM 747 NE2 HIS A 52 -0.356 5.439 10.133 1.00 0.00 N flip ATOM 0 H HIS A 52 -0.004 6.182 5.351 1.00 0.00 H new ATOM 0 HA HIS A 52 2.476 7.506 5.850 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.491 7.502 8.305 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.161 8.510 7.770 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.310 6.766 10.564 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.868 4.413 8.976 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -0.545 5.068 11.064 1.00 0.00 H new ATOM 755 N PHE A 53 3.241 5.144 6.826 1.00 0.00 N ATOM 756 CA PHE A 53 3.607 3.712 6.963 1.00 0.00 C ATOM 757 C PHE A 53 2.964 3.165 8.243 1.00 0.00 C ATOM 758 O PHE A 53 2.403 3.901 9.030 1.00 0.00 O ATOM 759 CB PHE A 53 5.128 3.570 7.031 1.00 0.00 C ATOM 760 CG PHE A 53 5.708 3.803 5.656 1.00 0.00 C ATOM 761 CD1 PHE A 53 5.656 5.080 5.085 1.00 0.00 C ATOM 762 CD2 PHE A 53 6.291 2.743 4.948 1.00 0.00 C ATOM 763 CE1 PHE A 53 6.189 5.299 3.810 1.00 0.00 C ATOM 764 CE2 PHE A 53 6.824 2.964 3.671 1.00 0.00 C ATOM 765 CZ PHE A 53 6.771 4.242 3.102 1.00 0.00 C ATOM 0 H PHE A 53 3.984 5.809 7.040 1.00 0.00 H new ATOM 0 HA PHE A 53 3.247 3.148 6.102 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.541 4.287 7.740 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.397 2.576 7.389 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.204 5.896 5.629 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.329 1.757 5.386 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.151 6.285 3.372 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.276 2.148 3.126 1.00 0.00 H new ATOM 0 HZ PHE A 53 7.179 4.412 2.117 1.00 0.00 H new ATOM 775 N GLY A 54 3.025 1.883 8.446 1.00 0.00 N ATOM 776 CA GLY A 54 2.403 1.278 9.660 1.00 0.00 C ATOM 777 C GLY A 54 0.876 1.259 9.504 1.00 0.00 C ATOM 778 O GLY A 54 0.339 1.662 8.492 1.00 0.00 O ATOM 0 H GLY A 54 3.482 1.219 7.820 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.776 0.264 9.805 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.681 1.849 10.546 1.00 0.00 H new ATOM 782 N LYS A 55 0.173 0.820 10.510 1.00 0.00 N ATOM 783 CA LYS A 55 -1.319 0.799 10.428 1.00 0.00 C ATOM 784 C LYS A 55 -1.869 2.116 10.981 1.00 0.00 C ATOM 785 O LYS A 55 -1.233 2.777 11.778 1.00 0.00 O ATOM 786 CB LYS A 55 -1.905 -0.373 11.238 1.00 0.00 C ATOM 787 CG LYS A 55 -0.814 -1.062 12.063 1.00 0.00 C ATOM 788 CD LYS A 55 -1.428 -2.208 12.868 1.00 0.00 C ATOM 789 CE LYS A 55 -0.423 -3.355 12.970 1.00 0.00 C ATOM 790 NZ LYS A 55 0.737 -2.928 13.803 1.00 0.00 N ATOM 0 H LYS A 55 0.564 0.474 11.386 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.606 0.673 9.384 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.691 -0.007 11.899 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.366 -1.093 10.562 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.033 -1.443 11.405 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.343 -0.344 12.734 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.702 -1.861 13.864 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.343 -2.554 12.388 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.898 -4.231 13.412 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.083 -3.644 11.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.371 -3.738 13.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.256 -2.171 13.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.395 -2.577 14.720 1.00 0.00 H new ATOM 804 N CYS A 56 -3.045 2.499 10.570 1.00 0.00 N ATOM 805 CA CYS A 56 -3.633 3.771 11.077 1.00 0.00 C ATOM 806 C CYS A 56 -3.836 3.671 12.591 1.00 0.00 C ATOM 807 O CYS A 56 -3.205 4.433 13.305 1.00 0.00 O ATOM 808 CB CYS A 56 -4.982 4.012 10.400 1.00 0.00 C ATOM 809 SG CYS A 56 -4.833 5.391 9.236 1.00 0.00 S ATOM 810 OXT CYS A 56 -4.620 2.836 13.010 1.00 0.00 O ATOM 0 H CYS A 56 -3.625 1.987 9.905 1.00 0.00 H new ATOM 0 HA CYS A 56 -2.959 4.598 10.853 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.304 3.112 9.876 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.742 4.234 11.149 1.00 0.00 H new TER 815 CYS A 56