USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 744 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 78 ASN : amide:sc= -0.222 X(o=0.6,f=1.1) USER MOD Set 1.2: A 82 THR OG1 : rot -61:sc= 0.819 USER MOD Single : A 25 TYR OH : rot -151:sc= 1.48 USER MOD Single : A 26 CYS SG : rot -103:sc= 1.41 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 86:sc= 1.63 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 16:sc= 0.169 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.109 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 54:sc= 0.0432 USER MOD Single : A 57 SER OG : rot -75:sc= 1.15 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 66 THR OG1 : rot 103:sc= 0.056 USER MOD Single : A 67 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.211) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.68! K(o=-1.7!,f=0) USER MOD Single : A 81 TYR OH : rot 30:sc= 0 USER MOD Single : A 86 THR OG1 : rot 108:sc= 1.34 USER MOD Single : A 90 HIS : no HE2:sc= -0.778 K(o=-0.78,f=-1.4) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 173:sc=-0.00937 (180deg=-0.0767) USER MOD Single : A 100 SER OG : rot -46:sc= 0.411 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 127:sc= -0.0833 USER MOD Single : A 107 SER OG : rot -77:sc= 1.47 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 0.656 K(o=0.66,f=-0.23) USER MOD Single : A 114 THR OG1 : rot -74:sc= -0.892 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 75 N TYR A 25 7.317 4.865 5.209 1.00 0.00 N ATOM 76 CA TYR A 25 7.012 3.436 5.093 1.00 0.00 C ATOM 77 C TYR A 25 5.633 3.150 5.633 1.00 0.00 C ATOM 78 O TYR A 25 5.423 2.239 6.439 1.00 0.00 O ATOM 79 CB TYR A 25 8.111 2.569 5.779 1.00 0.00 C ATOM 80 CG TYR A 25 9.495 2.724 5.152 1.00 0.00 C ATOM 81 CD1 TYR A 25 10.161 3.940 5.182 1.00 0.00 C ATOM 82 CD2 TYR A 25 10.122 1.662 4.538 1.00 0.00 C ATOM 83 CE1 TYR A 25 11.394 4.098 4.631 1.00 0.00 C ATOM 84 CE2 TYR A 25 11.367 1.810 3.969 1.00 0.00 C ATOM 85 CZ TYR A 25 12.002 3.044 4.026 1.00 0.00 C ATOM 86 OH TYR A 25 13.257 3.221 3.500 1.00 0.00 O ATOM 0 HA TYR A 25 7.013 3.161 4.038 1.00 0.00 H new ATOM 0 HB2 TYR A 25 8.168 2.838 6.834 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.816 1.521 5.732 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.687 4.786 5.657 1.00 0.00 H new ATOM 0 HD2 TYR A 25 9.631 0.701 4.503 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.888 5.057 4.674 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.846 0.973 3.482 1.00 0.00 H new ATOM 0 HH TYR A 25 13.383 2.612 2.743 1.00 0.00 H new ATOM 96 N CYS A 26 4.697 3.926 5.151 1.00 0.00 N ATOM 97 CA CYS A 26 3.329 3.827 5.555 1.00 0.00 C ATOM 98 C CYS A 26 2.480 3.685 4.304 1.00 0.00 C ATOM 99 O CYS A 26 2.900 4.100 3.231 1.00 0.00 O ATOM 100 CB CYS A 26 2.929 5.108 6.296 1.00 0.00 C ATOM 101 SG CYS A 26 4.140 5.654 7.552 1.00 0.00 S ATOM 0 H CYS A 26 4.872 4.653 4.457 1.00 0.00 H new ATOM 0 HA CYS A 26 3.185 2.970 6.213 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.791 5.908 5.568 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.966 4.949 6.781 1.00 0.00 H new ATOM 0 HG CYS A 26 3.702 5.350 8.738 1.00 0.00 H new ATOM 106 N LEU A 27 1.347 3.075 4.434 1.00 0.00 N ATOM 107 CA LEU A 27 0.390 2.938 3.356 1.00 0.00 C ATOM 108 C LEU A 27 -0.805 3.782 3.717 1.00 0.00 C ATOM 109 O LEU A 27 -1.280 3.706 4.852 1.00 0.00 O ATOM 110 CB LEU A 27 -0.010 1.459 3.217 1.00 0.00 C ATOM 111 CG LEU A 27 -1.021 1.071 2.142 1.00 0.00 C ATOM 112 CD1 LEU A 27 -0.563 1.481 0.767 1.00 0.00 C ATOM 113 CD2 LEU A 27 -1.235 -0.405 2.179 1.00 0.00 C ATOM 0 H LEU A 27 1.043 2.644 5.307 1.00 0.00 H new ATOM 0 HA LEU A 27 0.808 3.265 2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.900 0.886 3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.408 1.132 4.178 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.954 1.595 2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.311 1.186 0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.429 2.562 0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.384 0.992 0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.957 -0.687 1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.290 -0.915 1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.615 -0.693 3.159 1.00 0.00 H new ATOM 125 N GLN A 28 -1.263 4.621 2.813 1.00 0.00 N ATOM 126 CA GLN A 28 -2.401 5.451 3.117 1.00 0.00 C ATOM 127 C GLN A 28 -3.538 5.114 2.188 1.00 0.00 C ATOM 128 O GLN A 28 -3.396 5.141 0.954 1.00 0.00 O ATOM 129 CB GLN A 28 -2.027 6.922 2.977 1.00 0.00 C ATOM 130 CG GLN A 28 -0.936 7.371 3.940 1.00 0.00 C ATOM 131 CD GLN A 28 -0.414 8.771 3.631 1.00 0.00 C ATOM 132 OE1 GLN A 28 -1.133 9.615 3.115 1.00 0.00 O ATOM 133 NE2 GLN A 28 0.834 9.033 3.955 1.00 0.00 N ATOM 0 H GLN A 28 -0.872 4.743 1.879 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.714 5.266 4.145 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.696 7.108 1.955 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.916 7.531 3.140 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.325 7.350 4.958 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.108 6.663 3.900 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.412 8.310 4.384 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.224 9.959 3.777 1.00 0.00 H new ATOM 142 N LEU A 29 -4.646 4.777 2.767 1.00 0.00 N ATOM 143 CA LEU A 29 -5.818 4.470 2.014 1.00 0.00 C ATOM 144 C LEU A 29 -6.857 5.548 2.206 1.00 0.00 C ATOM 145 O LEU A 29 -7.264 5.815 3.338 1.00 0.00 O ATOM 146 CB LEU A 29 -6.354 3.081 2.356 1.00 0.00 C ATOM 147 CG LEU A 29 -5.330 1.940 2.223 1.00 0.00 C ATOM 148 CD1 LEU A 29 -4.767 1.519 3.565 1.00 0.00 C ATOM 149 CD2 LEU A 29 -5.906 0.765 1.505 1.00 0.00 C ATOM 0 H LEU A 29 -4.763 4.707 3.778 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.556 4.446 0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.730 3.095 3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.203 2.865 1.707 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.506 2.332 1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.049 0.712 3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.269 2.368 4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.577 1.174 4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.154 -0.020 1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.769 0.390 2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.216 1.066 0.505 1.00 0.00 H new ATOM 161 N TYR A 30 -7.273 6.154 1.128 1.00 0.00 N ATOM 162 CA TYR A 30 -8.240 7.238 1.159 1.00 0.00 C ATOM 163 C TYR A 30 -9.636 6.696 1.105 1.00 0.00 C ATOM 164 O TYR A 30 -9.874 5.617 0.538 1.00 0.00 O ATOM 165 CB TYR A 30 -8.021 8.200 -0.002 1.00 0.00 C ATOM 166 CG TYR A 30 -6.730 8.973 0.069 1.00 0.00 C ATOM 167 CD1 TYR A 30 -6.663 10.173 0.760 1.00 0.00 C ATOM 168 CD2 TYR A 30 -5.580 8.509 -0.556 1.00 0.00 C ATOM 169 CE1 TYR A 30 -5.489 10.890 0.827 1.00 0.00 C ATOM 170 CE2 TYR A 30 -4.401 9.221 -0.493 1.00 0.00 C ATOM 171 CZ TYR A 30 -4.362 10.410 0.199 1.00 0.00 C ATOM 172 OH TYR A 30 -3.188 11.121 0.273 1.00 0.00 O ATOM 0 H TYR A 30 -6.952 5.913 0.190 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.100 7.781 2.094 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.043 7.636 -0.935 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.852 8.905 -0.036 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.546 10.552 1.254 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.610 7.576 -1.100 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.453 11.823 1.369 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.514 8.848 -0.983 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.487 10.647 -0.222 1.00 0.00 H new ATOM 182 N ASP A 31 -10.559 7.429 1.675 1.00 0.00 N ATOM 183 CA ASP A 31 -11.939 6.990 1.724 1.00 0.00 C ATOM 184 C ASP A 31 -12.599 7.135 0.386 1.00 0.00 C ATOM 185 O ASP A 31 -13.340 6.258 -0.045 1.00 0.00 O ATOM 186 CB ASP A 31 -12.756 7.711 2.802 1.00 0.00 C ATOM 187 CG ASP A 31 -12.263 7.469 4.211 1.00 0.00 C ATOM 188 OD1 ASP A 31 -12.129 6.294 4.638 1.00 0.00 O ATOM 189 OD2 ASP A 31 -12.026 8.441 4.933 1.00 0.00 O ATOM 0 H ASP A 31 -10.384 8.333 2.113 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.914 5.934 1.995 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.739 8.782 2.601 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.795 7.390 2.731 1.00 0.00 H new ATOM 194 N GLU A 32 -12.308 8.207 -0.287 1.00 0.00 N ATOM 195 CA GLU A 32 -12.870 8.457 -1.582 1.00 0.00 C ATOM 196 C GLU A 32 -11.812 8.293 -2.635 1.00 0.00 C ATOM 197 O GLU A 32 -10.655 7.973 -2.322 1.00 0.00 O ATOM 198 CB GLU A 32 -13.513 9.831 -1.666 1.00 0.00 C ATOM 199 CG GLU A 32 -14.714 9.999 -0.770 1.00 0.00 C ATOM 200 CD GLU A 32 -15.474 11.241 -1.096 1.00 0.00 C ATOM 201 OE1 GLU A 32 -16.365 11.187 -1.962 1.00 0.00 O ATOM 202 OE2 GLU A 32 -15.193 12.306 -0.521 1.00 0.00 O ATOM 0 H GLU A 32 -11.674 8.934 0.045 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.661 7.727 -1.755 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.770 10.585 -1.407 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.812 10.019 -2.697 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.369 9.134 -0.873 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.391 10.032 0.270 1.00 0.00 H new ATOM 209 N THR A 33 -12.192 8.459 -3.866 1.00 0.00 N ATOM 210 CA THR A 33 -11.302 8.317 -4.954 1.00 0.00 C ATOM 211 C THR A 33 -10.469 9.585 -5.136 1.00 0.00 C ATOM 212 O THR A 33 -10.691 10.584 -4.431 1.00 0.00 O ATOM 213 CB THR A 33 -12.125 8.015 -6.200 1.00 0.00 C ATOM 214 OG1 THR A 33 -13.330 8.798 -6.151 1.00 0.00 O ATOM 215 CG2 THR A 33 -12.491 6.554 -6.257 1.00 0.00 C ATOM 0 H THR A 33 -13.146 8.700 -4.136 1.00 0.00 H new ATOM 0 HA THR A 33 -10.605 7.500 -4.768 1.00 0.00 H new ATOM 0 HB THR A 33 -11.538 8.261 -7.085 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.159 9.685 -6.531 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.078 6.361 -7.155 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.583 5.952 -6.281 1.00 0.00 H new ATOM 0 HG23 THR A 33 -13.077 6.291 -5.376 1.00 0.00 H new ATOM 223 N TYR A 34 -9.490 9.522 -6.052 1.00 0.00 N ATOM 224 CA TYR A 34 -8.611 10.646 -6.420 1.00 0.00 C ATOM 225 C TYR A 34 -8.024 11.402 -5.225 1.00 0.00 C ATOM 226 O TYR A 34 -8.009 12.646 -5.200 1.00 0.00 O ATOM 227 CB TYR A 34 -9.220 11.576 -7.535 1.00 0.00 C ATOM 228 CG TYR A 34 -10.640 12.065 -7.292 1.00 0.00 C ATOM 229 CD1 TYR A 34 -10.898 13.311 -6.753 1.00 0.00 C ATOM 230 CD2 TYR A 34 -11.719 11.256 -7.595 1.00 0.00 C ATOM 231 CE1 TYR A 34 -12.196 13.730 -6.521 1.00 0.00 C ATOM 232 CE2 TYR A 34 -13.006 11.658 -7.365 1.00 0.00 C ATOM 233 CZ TYR A 34 -13.247 12.892 -6.826 1.00 0.00 C ATOM 234 OH TYR A 34 -14.550 13.303 -6.608 1.00 0.00 O ATOM 0 H TYR A 34 -9.282 8.669 -6.570 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.743 10.180 -6.886 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.572 12.445 -7.649 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.200 11.036 -8.482 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.075 13.967 -6.510 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.541 10.281 -8.025 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -12.385 14.708 -6.103 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.830 11.003 -7.608 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.167 12.591 -6.879 1.00 0.00 H new ATOM 244 N GLU A 35 -7.572 10.623 -4.216 1.00 0.00 N ATOM 245 CA GLU A 35 -6.883 11.131 -3.018 1.00 0.00 C ATOM 246 C GLU A 35 -7.802 11.989 -2.148 1.00 0.00 C ATOM 247 O GLU A 35 -7.332 12.810 -1.346 1.00 0.00 O ATOM 248 CB GLU A 35 -5.630 11.925 -3.420 1.00 0.00 C ATOM 249 CG GLU A 35 -4.595 11.103 -4.166 1.00 0.00 C ATOM 250 CD GLU A 35 -3.512 11.957 -4.756 1.00 0.00 C ATOM 251 OE1 GLU A 35 -2.470 12.164 -4.099 1.00 0.00 O ATOM 252 OE2 GLU A 35 -3.685 12.444 -5.889 1.00 0.00 O ATOM 0 H GLU A 35 -7.680 9.609 -4.216 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.584 10.268 -2.422 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.930 12.767 -4.044 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.172 12.341 -2.523 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.152 10.376 -3.486 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.085 10.540 -4.960 1.00 0.00 H new ATOM 259 N ARG A 36 -9.091 11.795 -2.271 1.00 0.00 N ATOM 260 CA ARG A 36 -10.034 12.563 -1.500 1.00 0.00 C ATOM 261 C ARG A 36 -10.556 11.796 -0.301 1.00 0.00 C ATOM 262 O ARG A 36 -10.375 10.574 -0.187 1.00 0.00 O ATOM 263 CB ARG A 36 -11.174 13.081 -2.359 1.00 0.00 C ATOM 264 CG ARG A 36 -10.779 14.105 -3.426 1.00 0.00 C ATOM 265 CD ARG A 36 -10.138 15.386 -2.862 1.00 0.00 C ATOM 266 NE ARG A 36 -8.755 15.181 -2.377 1.00 0.00 N ATOM 267 CZ ARG A 36 -8.016 16.090 -1.716 1.00 0.00 C ATOM 268 NH1 ARG A 36 -8.557 17.248 -1.345 1.00 0.00 N ATOM 269 NH2 ARG A 36 -6.746 15.819 -1.411 1.00 0.00 N ATOM 0 H ARG A 36 -9.511 11.110 -2.899 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.490 13.426 -1.116 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.649 12.233 -2.852 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.922 13.531 -1.707 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.081 13.638 -4.121 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.666 14.377 -3.999 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.135 16.154 -3.636 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.752 15.761 -2.043 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.326 14.274 -2.559 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.534 17.447 -1.562 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.995 17.936 -0.844 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.337 14.924 -1.679 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.184 16.507 -0.910 1.00 0.00 H new ATOM 283 N GLY A 37 -11.218 12.517 0.572 1.00 0.00 N ATOM 284 CA GLY A 37 -11.686 11.966 1.808 1.00 0.00 C ATOM 285 C GLY A 37 -10.558 11.938 2.799 1.00 0.00 C ATOM 286 O GLY A 37 -9.517 12.584 2.580 1.00 0.00 O ATOM 0 H GLY A 37 -11.444 13.503 0.439 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.511 12.563 2.196 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.069 10.958 1.648 1.00 0.00 H new ATOM 290 N SER A 38 -10.729 11.228 3.866 1.00 0.00 N ATOM 291 CA SER A 38 -9.669 11.072 4.811 1.00 0.00 C ATOM 292 C SER A 38 -8.875 9.836 4.429 1.00 0.00 C ATOM 293 O SER A 38 -9.245 9.119 3.491 1.00 0.00 O ATOM 294 CB SER A 38 -10.212 10.935 6.236 1.00 0.00 C ATOM 295 OG SER A 38 -11.104 12.003 6.559 1.00 0.00 O ATOM 0 H SER A 38 -11.595 10.745 4.107 1.00 0.00 H new ATOM 0 HA SER A 38 -9.031 11.956 4.791 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.731 9.982 6.339 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.383 10.925 6.943 1.00 0.00 H new ATOM 0 HG SER A 38 -11.435 11.887 7.474 1.00 0.00 H new ATOM 301 N TYR A 39 -7.813 9.584 5.121 1.00 0.00 N ATOM 302 CA TYR A 39 -7.006 8.431 4.847 1.00 0.00 C ATOM 303 C TYR A 39 -6.611 7.787 6.149 1.00 0.00 C ATOM 304 O TYR A 39 -6.753 8.390 7.212 1.00 0.00 O ATOM 305 CB TYR A 39 -5.753 8.816 4.032 1.00 0.00 C ATOM 306 CG TYR A 39 -4.800 9.729 4.767 1.00 0.00 C ATOM 307 CD1 TYR A 39 -5.036 11.087 4.845 1.00 0.00 C ATOM 308 CD2 TYR A 39 -3.679 9.226 5.400 1.00 0.00 C ATOM 309 CE1 TYR A 39 -4.189 11.919 5.529 1.00 0.00 C ATOM 310 CE2 TYR A 39 -2.820 10.046 6.083 1.00 0.00 C ATOM 311 CZ TYR A 39 -3.076 11.395 6.148 1.00 0.00 C ATOM 312 OH TYR A 39 -2.223 12.221 6.843 1.00 0.00 O ATOM 0 H TYR A 39 -7.478 10.165 5.889 1.00 0.00 H new ATOM 0 HA TYR A 39 -7.583 7.724 4.251 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.223 7.907 3.748 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.068 9.303 3.109 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -5.906 11.502 4.357 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.476 8.166 5.355 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.393 12.978 5.582 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.947 9.635 6.568 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.489 11.691 7.219 1.00 0.00 H new ATOM 322 N ILE A 40 -6.144 6.593 6.073 1.00 0.00 N ATOM 323 CA ILE A 40 -5.668 5.881 7.229 1.00 0.00 C ATOM 324 C ILE A 40 -4.177 5.673 7.037 1.00 0.00 C ATOM 325 O ILE A 40 -3.705 5.653 5.893 1.00 0.00 O ATOM 326 CB ILE A 40 -6.387 4.489 7.366 1.00 0.00 C ATOM 327 CG1 ILE A 40 -6.024 3.790 8.695 1.00 0.00 C ATOM 328 CG2 ILE A 40 -6.034 3.589 6.181 1.00 0.00 C ATOM 329 CD1 ILE A 40 -6.767 2.489 8.943 1.00 0.00 C ATOM 0 H ILE A 40 -6.076 6.067 5.202 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.877 6.448 8.136 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.462 4.670 7.368 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.953 3.590 8.705 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.229 4.474 9.519 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.539 2.629 6.290 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.355 4.065 5.254 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.956 3.431 6.153 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.452 2.066 9.897 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.840 2.682 8.968 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.544 1.784 8.142 1.00 0.00 H new ATOM 341 N GLU A 41 -3.438 5.564 8.103 1.00 0.00 N ATOM 342 CA GLU A 41 -2.048 5.266 7.985 1.00 0.00 C ATOM 343 C GLU A 41 -1.843 3.846 8.422 1.00 0.00 C ATOM 344 O GLU A 41 -2.230 3.457 9.523 1.00 0.00 O ATOM 345 CB GLU A 41 -1.216 6.185 8.874 1.00 0.00 C ATOM 346 CG GLU A 41 -1.207 7.647 8.472 1.00 0.00 C ATOM 347 CD GLU A 41 -0.556 8.514 9.516 1.00 0.00 C ATOM 348 OE1 GLU A 41 -1.271 9.007 10.422 1.00 0.00 O ATOM 349 OE2 GLU A 41 0.681 8.682 9.492 1.00 0.00 O ATOM 0 H GLU A 41 -3.777 5.677 9.058 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.732 5.412 6.952 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.589 6.109 9.895 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.188 5.822 8.882 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.678 7.760 7.526 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.230 7.984 8.307 1.00 0.00 H new ATOM 356 N VAL A 42 -1.259 3.088 7.576 1.00 0.00 N ATOM 357 CA VAL A 42 -0.933 1.728 7.854 1.00 0.00 C ATOM 358 C VAL A 42 0.558 1.642 7.872 1.00 0.00 C ATOM 359 O VAL A 42 1.217 2.196 7.002 1.00 0.00 O ATOM 360 CB VAL A 42 -1.529 0.800 6.773 1.00 0.00 C ATOM 361 CG1 VAL A 42 -1.121 -0.643 6.973 1.00 0.00 C ATOM 362 CG2 VAL A 42 -3.040 0.919 6.757 1.00 0.00 C ATOM 0 H VAL A 42 -0.983 3.396 6.644 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.348 1.408 8.810 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.129 1.121 5.811 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.564 -1.258 6.190 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.035 -0.724 6.928 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.470 -0.988 7.946 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.449 0.260 5.991 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.438 0.634 7.731 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.322 1.949 6.538 1.00 0.00 H new ATOM 372 N TYR A 43 1.084 0.998 8.855 1.00 0.00 N ATOM 373 CA TYR A 43 2.509 0.949 9.027 1.00 0.00 C ATOM 374 C TYR A 43 2.999 -0.460 8.859 1.00 0.00 C ATOM 375 O TYR A 43 4.089 -0.705 8.333 1.00 0.00 O ATOM 376 CB TYR A 43 2.869 1.460 10.416 1.00 0.00 C ATOM 377 CG TYR A 43 2.302 2.834 10.737 1.00 0.00 C ATOM 378 CD1 TYR A 43 2.932 3.983 10.302 1.00 0.00 C ATOM 379 CD2 TYR A 43 1.132 2.970 11.479 1.00 0.00 C ATOM 380 CE1 TYR A 43 2.424 5.233 10.598 1.00 0.00 C ATOM 381 CE2 TYR A 43 0.617 4.219 11.774 1.00 0.00 C ATOM 382 CZ TYR A 43 1.273 5.345 11.332 1.00 0.00 C ATOM 383 OH TYR A 43 0.772 6.599 11.632 1.00 0.00 O ATOM 0 H TYR A 43 0.551 0.491 9.562 1.00 0.00 H new ATOM 0 HA TYR A 43 2.984 1.578 8.275 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.509 0.748 11.158 1.00 0.00 H new ATOM 0 HB3 TYR A 43 3.954 1.496 10.508 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.838 3.903 9.720 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.619 2.087 11.830 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.933 6.120 10.251 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.294 4.310 12.347 1.00 0.00 H new ATOM 0 HH TYR A 43 1.193 7.267 11.051 1.00 0.00 H new ATOM 393 N LYS A 44 2.180 -1.388 9.269 1.00 0.00 N ATOM 394 CA LYS A 44 2.531 -2.777 9.220 1.00 0.00 C ATOM 395 C LYS A 44 1.522 -3.580 8.436 1.00 0.00 C ATOM 396 O LYS A 44 0.403 -3.133 8.218 1.00 0.00 O ATOM 397 CB LYS A 44 2.829 -3.355 10.632 1.00 0.00 C ATOM 398 CG LYS A 44 1.889 -2.940 11.751 1.00 0.00 C ATOM 399 CD LYS A 44 0.484 -3.456 11.606 1.00 0.00 C ATOM 400 CE LYS A 44 -0.318 -2.958 12.769 1.00 0.00 C ATOM 401 NZ LYS A 44 -1.730 -3.366 12.709 1.00 0.00 N ATOM 0 H LYS A 44 1.251 -1.201 9.646 1.00 0.00 H new ATOM 0 HA LYS A 44 3.469 -2.862 8.671 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.818 -4.443 10.564 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.841 -3.064 10.912 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.296 -3.291 12.699 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.860 -1.851 11.800 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.048 -3.113 10.668 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.480 -4.546 11.580 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.123 -3.330 13.694 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.261 -1.870 12.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.235 -2.993 13.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.164 -2.990 11.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.791 -4.404 12.704 1.00 0.00 H new ATOM 415 N SER A 45 1.923 -4.740 8.019 1.00 0.00 N ATOM 416 CA SER A 45 1.126 -5.597 7.197 1.00 0.00 C ATOM 417 C SER A 45 0.018 -6.293 7.994 1.00 0.00 C ATOM 418 O SER A 45 0.154 -6.555 9.204 1.00 0.00 O ATOM 419 CB SER A 45 2.069 -6.593 6.546 1.00 0.00 C ATOM 420 OG SER A 45 3.074 -6.983 7.482 1.00 0.00 O ATOM 0 H SER A 45 2.838 -5.128 8.247 1.00 0.00 H new ATOM 0 HA SER A 45 0.607 -5.014 6.437 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.513 -7.468 6.208 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.531 -6.149 5.665 1.00 0.00 H new ATOM 0 HG SER A 45 3.681 -7.627 7.061 1.00 0.00 H new ATOM 426 N VAL A 46 -1.076 -6.559 7.327 1.00 0.00 N ATOM 427 CA VAL A 46 -2.196 -7.213 7.931 1.00 0.00 C ATOM 428 C VAL A 46 -2.483 -8.504 7.158 1.00 0.00 C ATOM 429 O VAL A 46 -2.415 -8.525 5.926 1.00 0.00 O ATOM 430 CB VAL A 46 -3.451 -6.284 7.971 1.00 0.00 C ATOM 431 CG1 VAL A 46 -3.998 -5.994 6.592 1.00 0.00 C ATOM 432 CG2 VAL A 46 -4.516 -6.842 8.887 1.00 0.00 C ATOM 0 H VAL A 46 -1.210 -6.324 6.344 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.957 -7.453 8.967 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.125 -5.328 8.382 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.869 -5.344 6.675 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.233 -5.500 5.994 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.287 -6.929 6.111 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.377 -6.173 8.894 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.823 -7.825 8.531 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.117 -6.930 9.898 1.00 0.00 H new ATOM 442 N GLY A 47 -2.759 -9.566 7.854 1.00 0.00 N ATOM 443 CA GLY A 47 -2.998 -10.822 7.192 1.00 0.00 C ATOM 444 C GLY A 47 -4.464 -11.071 6.931 1.00 0.00 C ATOM 445 O GLY A 47 -4.820 -11.881 6.065 1.00 0.00 O ATOM 0 H GLY A 47 -2.825 -9.593 8.872 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.456 -10.839 6.246 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.599 -11.632 7.802 1.00 0.00 H new ATOM 449 N SER A 48 -5.314 -10.367 7.640 1.00 0.00 N ATOM 450 CA SER A 48 -6.730 -10.538 7.496 1.00 0.00 C ATOM 451 C SER A 48 -7.460 -9.314 8.016 1.00 0.00 C ATOM 452 O SER A 48 -7.158 -8.805 9.102 1.00 0.00 O ATOM 453 CB SER A 48 -7.188 -11.803 8.240 1.00 0.00 C ATOM 454 OG SER A 48 -8.571 -12.047 8.060 1.00 0.00 O ATOM 0 H SER A 48 -5.040 -9.665 8.328 1.00 0.00 H new ATOM 0 HA SER A 48 -6.968 -10.656 6.439 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.618 -12.661 7.883 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.973 -11.697 9.303 1.00 0.00 H new ATOM 0 HG SER A 48 -8.826 -12.859 8.545 1.00 0.00 H new ATOM 460 N LEU A 49 -8.369 -8.835 7.219 1.00 0.00 N ATOM 461 CA LEU A 49 -9.208 -7.718 7.542 1.00 0.00 C ATOM 462 C LEU A 49 -10.640 -8.169 7.514 1.00 0.00 C ATOM 463 O LEU A 49 -11.132 -8.662 6.480 1.00 0.00 O ATOM 464 CB LEU A 49 -8.995 -6.620 6.499 1.00 0.00 C ATOM 465 CG LEU A 49 -7.625 -5.960 6.528 1.00 0.00 C ATOM 466 CD1 LEU A 49 -7.434 -5.076 5.320 1.00 0.00 C ATOM 467 CD2 LEU A 49 -7.475 -5.148 7.796 1.00 0.00 C ATOM 0 H LEU A 49 -8.553 -9.224 6.294 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.963 -7.332 8.531 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.155 -7.045 5.508 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.755 -5.852 6.643 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.862 -6.738 6.507 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.448 -4.613 5.360 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.517 -5.676 4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.199 -4.300 5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.492 -4.677 7.812 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.247 -4.379 7.829 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.578 -5.802 8.662 1.00 0.00 H new ATOM 479 N SER A 50 -11.278 -8.076 8.637 1.00 0.00 N ATOM 480 CA SER A 50 -12.663 -8.364 8.744 1.00 0.00 C ATOM 481 C SER A 50 -13.336 -7.234 9.530 1.00 0.00 C ATOM 482 O SER A 50 -12.997 -7.010 10.701 1.00 0.00 O ATOM 483 CB SER A 50 -12.887 -9.726 9.385 1.00 0.00 C ATOM 484 OG SER A 50 -14.260 -10.089 9.399 1.00 0.00 O ATOM 0 H SER A 50 -10.841 -7.794 9.514 1.00 0.00 H new ATOM 0 HA SER A 50 -13.113 -8.417 7.753 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.318 -10.480 8.841 1.00 0.00 H new ATOM 0 HB3 SER A 50 -12.505 -9.713 10.406 1.00 0.00 H new ATOM 0 HG SER A 50 -14.361 -10.970 9.817 1.00 0.00 H new ATOM 490 N PRO A 51 -14.218 -6.459 8.894 1.00 0.00 N ATOM 491 CA PRO A 51 -14.525 -6.604 7.477 1.00 0.00 C ATOM 492 C PRO A 51 -13.377 -6.044 6.619 1.00 0.00 C ATOM 493 O PRO A 51 -12.521 -5.306 7.133 1.00 0.00 O ATOM 494 CB PRO A 51 -15.785 -5.754 7.294 1.00 0.00 C ATOM 495 CG PRO A 51 -15.696 -4.722 8.362 1.00 0.00 C ATOM 496 CD PRO A 51 -15.002 -5.382 9.521 1.00 0.00 C ATOM 0 HA PRO A 51 -14.661 -7.643 7.176 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.817 -5.299 6.304 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -16.688 -6.355 7.397 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -15.138 -3.852 8.018 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -16.687 -4.372 8.649 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -14.362 -4.681 10.056 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -15.717 -5.776 10.244 1.00 0.00 H new ATOM 504 N PRO A 52 -13.302 -6.409 5.339 1.00 0.00 N ATOM 505 CA PRO A 52 -12.275 -5.890 4.453 1.00 0.00 C ATOM 506 C PRO A 52 -12.420 -4.377 4.288 1.00 0.00 C ATOM 507 O PRO A 52 -13.532 -3.813 4.446 1.00 0.00 O ATOM 508 CB PRO A 52 -12.525 -6.611 3.119 1.00 0.00 C ATOM 509 CG PRO A 52 -13.914 -7.117 3.203 1.00 0.00 C ATOM 510 CD PRO A 52 -14.188 -7.364 4.661 1.00 0.00 C ATOM 0 HA PRO A 52 -11.268 -6.060 4.835 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.404 -5.931 2.276 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.817 -7.427 2.974 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -14.617 -6.392 2.793 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -14.029 -8.034 2.625 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.235 -7.187 4.909 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -13.963 -8.392 4.944 1.00 0.00 H new ATOM 518 N TRP A 53 -11.354 -3.729 3.947 1.00 0.00 N ATOM 519 CA TRP A 53 -11.361 -2.294 3.825 1.00 0.00 C ATOM 520 C TRP A 53 -11.745 -1.935 2.442 1.00 0.00 C ATOM 521 O TRP A 53 -11.262 -2.532 1.505 1.00 0.00 O ATOM 522 CB TRP A 53 -9.985 -1.702 4.108 1.00 0.00 C ATOM 523 CG TRP A 53 -9.548 -1.760 5.540 1.00 0.00 C ATOM 524 CD1 TRP A 53 -10.335 -1.936 6.643 1.00 0.00 C ATOM 525 CD2 TRP A 53 -8.212 -1.598 6.026 1.00 0.00 C ATOM 526 NE1 TRP A 53 -9.566 -1.908 7.775 1.00 0.00 N ATOM 527 CE2 TRP A 53 -8.263 -1.692 7.425 1.00 0.00 C ATOM 528 CE3 TRP A 53 -6.976 -1.385 5.411 1.00 0.00 C ATOM 529 CZ2 TRP A 53 -7.126 -1.581 8.220 1.00 0.00 C ATOM 530 CZ3 TRP A 53 -5.851 -1.279 6.204 1.00 0.00 C ATOM 531 CH2 TRP A 53 -5.934 -1.372 7.593 1.00 0.00 C ATOM 0 H TRP A 53 -10.456 -4.169 3.745 1.00 0.00 H new ATOM 0 HA TRP A 53 -12.069 -1.895 4.551 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -9.249 -2.227 3.499 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -9.982 -0.661 3.786 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -11.406 -2.076 6.624 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -9.911 -2.029 8.727 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.902 -1.305 4.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.186 -1.658 9.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.889 -1.121 5.740 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.035 -1.276 8.184 1.00 0.00 H new ATOM 542 N THR A 54 -12.607 -0.982 2.309 1.00 0.00 N ATOM 543 CA THR A 54 -13.052 -0.565 1.017 1.00 0.00 C ATOM 544 C THR A 54 -12.643 0.891 0.727 1.00 0.00 C ATOM 545 O THR A 54 -13.445 1.810 0.901 1.00 0.00 O ATOM 546 CB THR A 54 -14.582 -0.756 0.894 1.00 0.00 C ATOM 547 OG1 THR A 54 -15.217 -0.239 2.081 1.00 0.00 O ATOM 548 CG2 THR A 54 -14.935 -2.229 0.749 1.00 0.00 C ATOM 0 H THR A 54 -13.022 -0.471 3.088 1.00 0.00 H new ATOM 0 HA THR A 54 -12.567 -1.190 0.267 1.00 0.00 H new ATOM 0 HB THR A 54 -14.929 -0.223 0.009 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.931 0.687 2.228 1.00 0.00 H new ATOM 0 HG21 THR A 54 -16.016 -2.337 0.664 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.459 -2.631 -0.145 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.583 -2.775 1.624 1.00 0.00 H new ATOM 556 N PRO A 55 -11.355 1.142 0.391 1.00 0.00 N ATOM 557 CA PRO A 55 -10.874 2.477 0.090 1.00 0.00 C ATOM 558 C PRO A 55 -11.273 2.952 -1.306 1.00 0.00 C ATOM 559 O PRO A 55 -11.558 2.150 -2.206 1.00 0.00 O ATOM 560 CB PRO A 55 -9.361 2.328 0.172 1.00 0.00 C ATOM 561 CG PRO A 55 -9.121 0.939 -0.257 1.00 0.00 C ATOM 562 CD PRO A 55 -10.260 0.150 0.307 1.00 0.00 C ATOM 0 HA PRO A 55 -11.293 3.217 0.772 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.853 3.041 -0.478 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.996 2.503 1.184 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.090 0.863 -1.344 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.165 0.572 0.116 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.526 -0.689 -0.337 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.017 -0.264 1.286 1.00 0.00 H new ATOM 570 N GLY A 56 -11.286 4.245 -1.477 1.00 0.00 N ATOM 571 CA GLY A 56 -11.606 4.815 -2.750 1.00 0.00 C ATOM 572 C GLY A 56 -10.364 4.963 -3.592 1.00 0.00 C ATOM 573 O GLY A 56 -10.400 4.809 -4.803 1.00 0.00 O ATOM 0 H GLY A 56 -11.077 4.924 -0.745 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.329 4.183 -3.266 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.076 5.789 -2.611 1.00 0.00 H new ATOM 577 N SER A 57 -9.262 5.230 -2.948 1.00 0.00 N ATOM 578 CA SER A 57 -8.003 5.386 -3.614 1.00 0.00 C ATOM 579 C SER A 57 -6.892 5.055 -2.644 1.00 0.00 C ATOM 580 O SER A 57 -7.030 5.281 -1.447 1.00 0.00 O ATOM 581 CB SER A 57 -7.862 6.807 -4.215 1.00 0.00 C ATOM 582 OG SER A 57 -8.136 7.827 -3.269 1.00 0.00 O ATOM 0 H SER A 57 -9.214 5.346 -1.936 1.00 0.00 H new ATOM 0 HA SER A 57 -7.941 4.696 -4.455 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.851 6.936 -4.601 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.541 6.909 -5.061 1.00 0.00 H new ATOM 0 HG SER A 57 -9.103 7.885 -3.121 1.00 0.00 H new ATOM 588 N VAL A 58 -5.836 4.469 -3.126 1.00 0.00 N ATOM 589 CA VAL A 58 -4.739 4.090 -2.268 1.00 0.00 C ATOM 590 C VAL A 58 -3.516 4.810 -2.745 1.00 0.00 C ATOM 591 O VAL A 58 -3.349 4.980 -3.951 1.00 0.00 O ATOM 592 CB VAL A 58 -4.462 2.563 -2.341 1.00 0.00 C ATOM 593 CG1 VAL A 58 -3.408 2.148 -1.330 1.00 0.00 C ATOM 594 CG2 VAL A 58 -5.736 1.756 -2.162 1.00 0.00 C ATOM 0 H VAL A 58 -5.705 4.240 -4.111 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.991 4.347 -1.239 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.075 2.349 -3.337 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.235 1.074 -1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.479 2.680 -1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.752 2.391 -0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.504 0.692 -2.219 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.175 1.980 -1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.445 2.015 -2.949 1.00 0.00 H new ATOM 604 N CYS A 59 -2.679 5.238 -1.850 1.00 0.00 N ATOM 605 CA CYS A 59 -1.471 5.875 -2.247 1.00 0.00 C ATOM 606 C CYS A 59 -0.364 5.538 -1.284 1.00 0.00 C ATOM 607 O CYS A 59 -0.603 5.299 -0.086 1.00 0.00 O ATOM 608 CB CYS A 59 -1.638 7.387 -2.361 1.00 0.00 C ATOM 609 SG CYS A 59 -0.201 8.209 -3.129 1.00 0.00 S ATOM 0 H CYS A 59 -2.814 5.156 -0.842 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.209 5.501 -3.237 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.530 7.605 -2.948 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.800 7.805 -1.367 1.00 0.00 H new ATOM 614 N VAL A 60 0.822 5.464 -1.801 1.00 0.00 N ATOM 615 CA VAL A 60 1.983 5.225 -1.002 1.00 0.00 C ATOM 616 C VAL A 60 2.819 6.489 -1.002 1.00 0.00 C ATOM 617 O VAL A 60 3.170 6.989 -2.070 1.00 0.00 O ATOM 618 CB VAL A 60 2.830 4.039 -1.536 1.00 0.00 C ATOM 619 CG1 VAL A 60 4.071 3.823 -0.677 1.00 0.00 C ATOM 620 CG2 VAL A 60 1.998 2.778 -1.571 1.00 0.00 C ATOM 0 H VAL A 60 1.014 5.569 -2.797 1.00 0.00 H new ATOM 0 HA VAL A 60 1.665 4.960 0.006 1.00 0.00 H new ATOM 0 HB VAL A 60 3.153 4.282 -2.548 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.647 2.986 -1.073 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.684 4.724 -0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.771 3.604 0.348 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.603 1.953 -1.947 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.650 2.543 -0.565 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.140 2.927 -2.226 1.00 0.00 H new ATOM 630 N PRO A 61 3.099 7.050 0.177 1.00 0.00 N ATOM 631 CA PRO A 61 3.919 8.253 0.309 1.00 0.00 C ATOM 632 C PRO A 61 5.321 8.066 -0.277 1.00 0.00 C ATOM 633 O PRO A 61 5.881 6.956 -0.272 1.00 0.00 O ATOM 634 CB PRO A 61 4.009 8.469 1.825 1.00 0.00 C ATOM 635 CG PRO A 61 3.584 7.184 2.430 1.00 0.00 C ATOM 636 CD PRO A 61 2.622 6.572 1.471 1.00 0.00 C ATOM 0 HA PRO A 61 3.486 9.095 -0.231 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.024 8.728 2.126 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.363 9.287 2.145 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.440 6.529 2.594 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.116 7.347 3.401 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.633 5.484 1.528 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.598 6.891 1.667 1.00 0.00 H new ATOM 644 N PHE A 62 5.876 9.137 -0.771 1.00 0.00 N ATOM 645 CA PHE A 62 7.182 9.114 -1.359 1.00 0.00 C ATOM 646 C PHE A 62 8.226 9.122 -0.257 1.00 0.00 C ATOM 647 O PHE A 62 8.100 9.856 0.724 1.00 0.00 O ATOM 648 CB PHE A 62 7.363 10.316 -2.306 1.00 0.00 C ATOM 649 CG PHE A 62 8.690 10.354 -3.023 1.00 0.00 C ATOM 650 CD1 PHE A 62 8.932 9.520 -4.103 1.00 0.00 C ATOM 651 CD2 PHE A 62 9.690 11.229 -2.622 1.00 0.00 C ATOM 652 CE1 PHE A 62 10.144 9.555 -4.768 1.00 0.00 C ATOM 653 CE2 PHE A 62 10.904 11.267 -3.283 1.00 0.00 C ATOM 654 CZ PHE A 62 11.130 10.427 -4.357 1.00 0.00 C ATOM 0 H PHE A 62 5.431 10.055 -0.776 1.00 0.00 H new ATOM 0 HA PHE A 62 7.303 8.206 -1.950 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.564 10.302 -3.047 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.248 11.235 -1.732 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.164 8.834 -4.429 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.518 11.888 -1.784 1.00 0.00 H new ATOM 0 HE1 PHE A 62 10.318 8.900 -5.609 1.00 0.00 H new ATOM 0 HE2 PHE A 62 11.674 11.952 -2.961 1.00 0.00 H new ATOM 0 HZ PHE A 62 12.078 10.454 -4.874 1.00 0.00 H new ATOM 664 N VAL A 63 9.223 8.288 -0.389 1.00 0.00 N ATOM 665 CA VAL A 63 10.254 8.227 0.592 1.00 0.00 C ATOM 666 C VAL A 63 11.571 8.707 0.005 1.00 0.00 C ATOM 667 O VAL A 63 12.124 8.086 -0.897 1.00 0.00 O ATOM 668 CB VAL A 63 10.398 6.777 1.174 1.00 0.00 C ATOM 669 CG1 VAL A 63 11.570 6.663 2.121 1.00 0.00 C ATOM 670 CG2 VAL A 63 9.108 6.353 1.871 1.00 0.00 C ATOM 0 H VAL A 63 9.336 7.643 -1.171 1.00 0.00 H new ATOM 0 HA VAL A 63 9.980 8.888 1.415 1.00 0.00 H new ATOM 0 HB VAL A 63 10.588 6.106 0.336 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.633 5.643 2.501 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.490 6.911 1.592 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.433 7.352 2.954 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.224 5.345 2.269 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.892 7.043 2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.286 6.368 1.155 1.00 0.00 H new ATOM 680 N ASN A 64 12.039 9.816 0.521 1.00 0.00 N ATOM 681 CA ASN A 64 13.339 10.363 0.188 1.00 0.00 C ATOM 682 C ASN A 64 14.186 10.171 1.415 1.00 0.00 C ATOM 683 O ASN A 64 14.193 10.996 2.324 1.00 0.00 O ATOM 684 CB ASN A 64 13.244 11.853 -0.182 1.00 0.00 C ATOM 685 CG ASN A 64 14.581 12.462 -0.594 1.00 0.00 C ATOM 686 OD1 ASN A 64 15.457 11.784 -1.146 1.00 0.00 O ATOM 687 ND2 ASN A 64 14.733 13.740 -0.368 1.00 0.00 N ATOM 0 H ASN A 64 11.521 10.377 1.197 1.00 0.00 H new ATOM 0 HA ASN A 64 13.766 9.863 -0.681 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.532 11.972 -0.999 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.848 12.407 0.669 1.00 0.00 H new ATOM 0 HD21 ASN A 64 15.594 14.209 -0.649 1.00 0.00 H new ATOM 0 HD22 ASN A 64 13.990 14.269 0.089 1.00 0.00 H new ATOM 694 N ASP A 65 14.738 9.003 1.509 1.00 0.00 N ATOM 695 CA ASP A 65 15.454 8.583 2.692 1.00 0.00 C ATOM 696 C ASP A 65 16.831 8.064 2.327 1.00 0.00 C ATOM 697 O ASP A 65 17.000 7.479 1.266 1.00 0.00 O ATOM 698 CB ASP A 65 14.650 7.528 3.441 1.00 0.00 C ATOM 699 CG ASP A 65 15.178 7.231 4.811 1.00 0.00 C ATOM 700 OD1 ASP A 65 16.203 6.561 4.925 1.00 0.00 O ATOM 701 OD2 ASP A 65 14.527 7.651 5.801 1.00 0.00 O ATOM 0 H ASP A 65 14.710 8.303 0.768 1.00 0.00 H new ATOM 0 HA ASP A 65 15.587 9.443 3.348 1.00 0.00 H new ATOM 0 HB2 ASP A 65 13.616 7.863 3.524 1.00 0.00 H new ATOM 0 HB3 ASP A 65 14.641 6.608 2.857 1.00 0.00 H new ATOM 706 N THR A 66 17.787 8.289 3.183 1.00 0.00 N ATOM 707 CA THR A 66 19.178 7.865 3.022 1.00 0.00 C ATOM 708 C THR A 66 19.332 6.308 2.737 1.00 0.00 C ATOM 709 O THR A 66 20.387 5.858 2.247 1.00 0.00 O ATOM 710 CB THR A 66 19.908 8.224 4.329 1.00 0.00 C ATOM 711 OG1 THR A 66 19.527 9.560 4.705 1.00 0.00 O ATOM 712 CG2 THR A 66 21.422 8.169 4.165 1.00 0.00 C ATOM 0 H THR A 66 17.627 8.794 4.055 1.00 0.00 H new ATOM 0 HA THR A 66 19.600 8.372 2.155 1.00 0.00 H new ATOM 0 HB THR A 66 19.628 7.499 5.094 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.872 9.521 5.433 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.900 8.429 5.110 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.720 7.162 3.872 1.00 0.00 H new ATOM 0 HG23 THR A 66 21.731 8.877 3.396 1.00 0.00 H new ATOM 720 N LYS A 67 18.299 5.500 3.064 1.00 0.00 N ATOM 721 CA LYS A 67 18.334 4.022 2.812 1.00 0.00 C ATOM 722 C LYS A 67 18.405 3.686 1.304 1.00 0.00 C ATOM 723 O LYS A 67 18.325 4.570 0.448 1.00 0.00 O ATOM 724 CB LYS A 67 17.112 3.315 3.432 1.00 0.00 C ATOM 725 CG LYS A 67 16.859 3.685 4.874 1.00 0.00 C ATOM 726 CD LYS A 67 18.040 3.400 5.781 1.00 0.00 C ATOM 727 CE LYS A 67 17.905 4.154 7.099 1.00 0.00 C ATOM 728 NZ LYS A 67 16.587 3.962 7.730 1.00 0.00 N ATOM 0 H LYS A 67 17.437 5.830 3.498 1.00 0.00 H new ATOM 0 HA LYS A 67 19.243 3.656 3.290 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.227 3.558 2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 67 17.255 2.237 3.363 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.612 4.745 4.932 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.990 3.135 5.236 1.00 0.00 H new ATOM 0 HD2 LYS A 67 18.106 2.329 5.974 1.00 0.00 H new ATOM 0 HD3 LYS A 67 18.965 3.691 5.283 1.00 0.00 H new ATOM 0 HE2 LYS A 67 18.684 3.821 7.785 1.00 0.00 H new ATOM 0 HE3 LYS A 67 18.068 5.217 6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.614 4.320 8.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.865 4.481 7.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.351 2.949 7.740 1.00 0.00 H new ATOM 742 N ARG A 68 18.509 2.405 0.995 1.00 0.00 N ATOM 743 CA ARG A 68 18.664 1.953 -0.391 1.00 0.00 C ATOM 744 C ARG A 68 17.347 1.419 -0.901 1.00 0.00 C ATOM 745 O ARG A 68 17.052 1.451 -2.086 1.00 0.00 O ATOM 746 CB ARG A 68 19.603 0.771 -0.426 1.00 0.00 C ATOM 747 CG ARG A 68 20.902 0.938 0.308 1.00 0.00 C ATOM 748 CD ARG A 68 21.601 -0.394 0.348 1.00 0.00 C ATOM 749 NE ARG A 68 20.718 -1.438 0.943 1.00 0.00 N ATOM 750 CZ ARG A 68 20.959 -2.752 0.977 1.00 0.00 C ATOM 751 NH1 ARG A 68 22.114 -3.243 0.537 1.00 0.00 N ATOM 752 NH2 ARG A 68 20.022 -3.561 1.458 1.00 0.00 N ATOM 0 H ARG A 68 18.490 1.652 1.682 1.00 0.00 H new ATOM 0 HA ARG A 68 19.025 2.793 -0.984 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.083 -0.093 -0.011 1.00 0.00 H new ATOM 0 HB3 ARG A 68 19.825 0.540 -1.468 1.00 0.00 H new ATOM 0 HG2 ARG A 68 21.527 1.679 -0.191 1.00 0.00 H new ATOM 0 HG3 ARG A 68 20.722 1.302 1.319 1.00 0.00 H new ATOM 0 HD2 ARG A 68 21.891 -0.688 -0.661 1.00 0.00 H new ATOM 0 HD3 ARG A 68 22.518 -0.311 0.932 1.00 0.00 H new ATOM 0 HE ARG A 68 19.846 -1.118 1.365 1.00 0.00 H new ATOM 0 HH11 ARG A 68 22.828 -2.615 0.168 1.00 0.00 H new ATOM 0 HH12 ARG A 68 22.286 -4.248 0.568 1.00 0.00 H new ATOM 0 HH21 ARG A 68 19.139 -3.176 1.793 1.00 0.00 H new ATOM 0 HH22 ARG A 68 20.186 -4.567 1.493 1.00 0.00 H new ATOM 766 N GLU A 69 16.579 0.910 0.016 1.00 0.00 N ATOM 767 CA GLU A 69 15.358 0.238 -0.276 1.00 0.00 C ATOM 768 C GLU A 69 14.153 1.063 0.124 1.00 0.00 C ATOM 769 O GLU A 69 14.114 1.657 1.201 1.00 0.00 O ATOM 770 CB GLU A 69 15.332 -1.183 0.357 1.00 0.00 C ATOM 771 CG GLU A 69 15.663 -1.269 1.861 1.00 0.00 C ATOM 772 CD GLU A 69 17.130 -0.999 2.203 1.00 0.00 C ATOM 773 OE1 GLU A 69 17.957 -1.939 2.171 1.00 0.00 O ATOM 774 OE2 GLU A 69 17.487 0.166 2.525 1.00 0.00 O ATOM 0 H GLU A 69 16.794 0.954 1.012 1.00 0.00 H new ATOM 0 HA GLU A 69 15.303 0.110 -1.357 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.341 -1.609 0.200 1.00 0.00 H new ATOM 0 HB3 GLU A 69 16.039 -1.812 -0.185 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.040 -0.554 2.399 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.395 -2.262 2.223 1.00 0.00 H new ATOM 781 N ARG A 70 13.201 1.120 -0.755 1.00 0.00 N ATOM 782 CA ARG A 70 11.987 1.867 -0.561 1.00 0.00 C ATOM 783 C ARG A 70 10.849 0.935 -0.243 1.00 0.00 C ATOM 784 O ARG A 70 10.890 -0.216 -0.599 1.00 0.00 O ATOM 785 CB ARG A 70 11.663 2.678 -1.808 1.00 0.00 C ATOM 786 CG ARG A 70 11.930 4.187 -1.726 1.00 0.00 C ATOM 787 CD ARG A 70 13.373 4.553 -1.441 1.00 0.00 C ATOM 788 NE ARG A 70 13.773 4.332 -0.067 1.00 0.00 N ATOM 789 CZ ARG A 70 14.729 4.994 0.522 1.00 0.00 C ATOM 790 NH1 ARG A 70 15.491 5.839 -0.177 1.00 0.00 N ATOM 791 NH2 ARG A 70 14.955 4.782 1.799 1.00 0.00 N ATOM 0 H ARG A 70 13.243 0.637 -1.652 1.00 0.00 H new ATOM 0 HA ARG A 70 12.128 2.550 0.276 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.240 2.273 -2.639 1.00 0.00 H new ATOM 0 HB3 ARG A 70 10.610 2.529 -2.049 1.00 0.00 H new ATOM 0 HG2 ARG A 70 11.630 4.648 -2.667 1.00 0.00 H new ATOM 0 HG3 ARG A 70 11.299 4.613 -0.946 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.021 3.971 -2.096 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.527 5.603 -1.690 1.00 0.00 H new ATOM 0 HE ARG A 70 13.279 3.619 0.470 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.326 5.968 -1.175 1.00 0.00 H new ATOM 0 HH12 ARG A 70 16.238 6.355 0.287 1.00 0.00 H new ATOM 0 HH21 ARG A 70 14.387 4.109 2.313 1.00 0.00 H new ATOM 0 HH22 ARG A 70 15.699 5.291 2.277 1.00 0.00 H new ATOM 805 N PRO A 71 9.837 1.405 0.454 1.00 0.00 N ATOM 806 CA PRO A 71 8.690 0.581 0.778 1.00 0.00 C ATOM 807 C PRO A 71 7.737 0.416 -0.421 1.00 0.00 C ATOM 808 O PRO A 71 7.513 1.358 -1.200 1.00 0.00 O ATOM 809 CB PRO A 71 8.037 1.345 1.918 1.00 0.00 C ATOM 810 CG PRO A 71 8.361 2.772 1.650 1.00 0.00 C ATOM 811 CD PRO A 71 9.712 2.773 0.992 1.00 0.00 C ATOM 0 HA PRO A 71 8.962 -0.440 1.045 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.960 1.181 1.939 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.427 1.025 2.884 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.611 3.227 1.003 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.377 3.349 2.575 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.773 3.522 0.202 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.505 2.997 1.705 1.00 0.00 H new ATOM 819 N TYR A 72 7.215 -0.773 -0.564 1.00 0.00 N ATOM 820 CA TYR A 72 6.323 -1.126 -1.638 1.00 0.00 C ATOM 821 C TYR A 72 5.157 -1.875 -0.995 1.00 0.00 C ATOM 822 O TYR A 72 5.370 -2.743 -0.155 1.00 0.00 O ATOM 823 CB TYR A 72 7.083 -2.026 -2.625 1.00 0.00 C ATOM 824 CG TYR A 72 6.420 -2.232 -3.969 1.00 0.00 C ATOM 825 CD1 TYR A 72 6.769 -1.440 -5.054 1.00 0.00 C ATOM 826 CD2 TYR A 72 5.470 -3.221 -4.162 1.00 0.00 C ATOM 827 CE1 TYR A 72 6.191 -1.629 -6.291 1.00 0.00 C ATOM 828 CE2 TYR A 72 4.886 -3.413 -5.394 1.00 0.00 C ATOM 829 CZ TYR A 72 5.250 -2.618 -6.455 1.00 0.00 C ATOM 830 OH TYR A 72 4.676 -2.818 -7.687 1.00 0.00 O ATOM 0 H TYR A 72 7.403 -1.543 0.079 1.00 0.00 H new ATOM 0 HA TYR A 72 5.957 -0.258 -2.186 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.072 -1.599 -2.790 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.230 -3.001 -2.160 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.507 -0.662 -4.927 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.183 -3.851 -3.333 1.00 0.00 H new ATOM 0 HE1 TYR A 72 6.475 -1.005 -7.125 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.144 -4.186 -5.527 1.00 0.00 H new ATOM 0 HH TYR A 72 4.033 -3.555 -7.632 1.00 0.00 H new ATOM 840 N TRP A 73 3.961 -1.552 -1.347 1.00 0.00 N ATOM 841 CA TRP A 73 2.828 -2.109 -0.668 1.00 0.00 C ATOM 842 C TRP A 73 1.961 -2.946 -1.584 1.00 0.00 C ATOM 843 O TRP A 73 1.691 -2.565 -2.718 1.00 0.00 O ATOM 844 CB TRP A 73 2.032 -0.988 -0.019 1.00 0.00 C ATOM 845 CG TRP A 73 2.761 -0.317 1.117 1.00 0.00 C ATOM 846 CD1 TRP A 73 3.687 0.682 1.045 1.00 0.00 C ATOM 847 CD2 TRP A 73 2.595 -0.602 2.496 1.00 0.00 C ATOM 848 NE1 TRP A 73 4.096 1.032 2.309 1.00 0.00 N ATOM 849 CE2 TRP A 73 3.431 0.259 3.216 1.00 0.00 C ATOM 850 CE3 TRP A 73 1.804 -1.498 3.182 1.00 0.00 C ATOM 851 CZ2 TRP A 73 3.492 0.239 4.606 1.00 0.00 C ATOM 852 CZ3 TRP A 73 1.852 -1.523 4.549 1.00 0.00 C ATOM 853 CH2 TRP A 73 2.687 -0.656 5.257 1.00 0.00 C ATOM 0 H TRP A 73 3.735 -0.904 -2.102 1.00 0.00 H new ATOM 0 HA TRP A 73 3.190 -2.788 0.104 1.00 0.00 H new ATOM 0 HB2 TRP A 73 1.787 -0.242 -0.775 1.00 0.00 H new ATOM 0 HB3 TRP A 73 1.088 -1.389 0.351 1.00 0.00 H new ATOM 0 HD1 TRP A 73 4.045 1.131 0.130 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.784 1.751 2.533 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.153 -2.173 2.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 4.148 0.903 5.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 1.234 -2.225 5.089 1.00 0.00 H new ATOM 0 HH2 TRP A 73 2.698 -0.692 6.336 1.00 0.00 H new ATOM 864 N TYR A 74 1.562 -4.090 -1.095 1.00 0.00 N ATOM 865 CA TYR A 74 0.692 -4.992 -1.813 1.00 0.00 C ATOM 866 C TYR A 74 -0.649 -5.097 -1.137 1.00 0.00 C ATOM 867 O TYR A 74 -0.731 -5.154 0.091 1.00 0.00 O ATOM 868 CB TYR A 74 1.307 -6.377 -1.943 1.00 0.00 C ATOM 869 CG TYR A 74 2.306 -6.524 -3.061 1.00 0.00 C ATOM 870 CD1 TYR A 74 1.884 -6.637 -4.386 1.00 0.00 C ATOM 871 CD2 TYR A 74 3.659 -6.575 -2.804 1.00 0.00 C ATOM 872 CE1 TYR A 74 2.786 -6.799 -5.410 1.00 0.00 C ATOM 873 CE2 TYR A 74 4.571 -6.732 -3.823 1.00 0.00 C ATOM 874 CZ TYR A 74 4.132 -6.846 -5.123 1.00 0.00 C ATOM 875 OH TYR A 74 5.046 -7.021 -6.134 1.00 0.00 O ATOM 0 H TYR A 74 1.835 -4.429 -0.173 1.00 0.00 H new ATOM 0 HA TYR A 74 0.557 -4.579 -2.813 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.796 -6.632 -1.003 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.507 -7.102 -2.093 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.829 -6.596 -4.611 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.010 -6.490 -1.786 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.443 -6.889 -6.430 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.628 -6.766 -3.603 1.00 0.00 H new ATOM 0 HH TYR A 74 5.951 -7.030 -5.759 1.00 0.00 H new ATOM 885 N LEU A 75 -1.679 -5.177 -1.931 1.00 0.00 N ATOM 886 CA LEU A 75 -3.038 -5.227 -1.448 1.00 0.00 C ATOM 887 C LEU A 75 -3.677 -6.447 -2.058 1.00 0.00 C ATOM 888 O LEU A 75 -3.375 -6.785 -3.212 1.00 0.00 O ATOM 889 CB LEU A 75 -3.795 -3.989 -1.952 1.00 0.00 C ATOM 890 CG LEU A 75 -3.058 -2.646 -1.850 1.00 0.00 C ATOM 891 CD1 LEU A 75 -3.891 -1.534 -2.431 1.00 0.00 C ATOM 892 CD2 LEU A 75 -2.685 -2.319 -0.421 1.00 0.00 C ATOM 0 H LEU A 75 -1.602 -5.210 -2.948 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.063 -5.258 -0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.061 -4.154 -2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.728 -3.909 -1.394 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.138 -2.739 -2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.349 -0.592 -2.348 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.096 -1.743 -3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.832 -1.461 -1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.165 -1.361 -0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.588 -2.261 0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.032 -3.099 -0.028 1.00 0.00 H new ATOM 904 N PHE A 76 -4.512 -7.119 -1.295 1.00 0.00 N ATOM 905 CA PHE A 76 -5.154 -8.344 -1.737 1.00 0.00 C ATOM 906 C PHE A 76 -6.624 -8.303 -1.412 1.00 0.00 C ATOM 907 O PHE A 76 -7.019 -7.813 -0.341 1.00 0.00 O ATOM 908 CB PHE A 76 -4.525 -9.554 -1.044 1.00 0.00 C ATOM 909 CG PHE A 76 -3.063 -9.719 -1.316 1.00 0.00 C ATOM 910 CD1 PHE A 76 -2.121 -9.060 -0.541 1.00 0.00 C ATOM 911 CD2 PHE A 76 -2.629 -10.519 -2.349 1.00 0.00 C ATOM 912 CE1 PHE A 76 -0.783 -9.195 -0.802 1.00 0.00 C ATOM 913 CE2 PHE A 76 -1.294 -10.661 -2.603 1.00 0.00 C ATOM 914 CZ PHE A 76 -0.368 -9.997 -1.833 1.00 0.00 C ATOM 0 H PHE A 76 -4.767 -6.833 -0.350 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.018 -8.433 -2.815 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.676 -9.463 0.032 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -5.048 -10.455 -1.364 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.445 -8.434 0.277 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.349 -11.038 -2.963 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.058 -8.671 -0.197 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.965 -11.297 -3.411 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.686 -10.108 -2.041 1.00 0.00 H new ATOM 924 N ASP A 77 -7.439 -8.825 -2.304 1.00 0.00 N ATOM 925 CA ASP A 77 -8.897 -8.823 -2.107 1.00 0.00 C ATOM 926 C ASP A 77 -9.352 -10.001 -1.293 1.00 0.00 C ATOM 927 O ASP A 77 -10.542 -10.148 -1.024 1.00 0.00 O ATOM 928 CB ASP A 77 -9.689 -8.753 -3.424 1.00 0.00 C ATOM 929 CG ASP A 77 -9.963 -10.082 -4.103 1.00 0.00 C ATOM 930 OD1 ASP A 77 -9.025 -10.792 -4.464 1.00 0.00 O ATOM 931 OD2 ASP A 77 -11.154 -10.401 -4.342 1.00 0.00 O ATOM 0 H ASP A 77 -7.131 -9.258 -3.174 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.111 -7.909 -1.553 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -10.643 -8.264 -3.226 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.143 -8.117 -4.121 1.00 0.00 H new ATOM 936 N ASN A 78 -8.436 -10.830 -0.886 1.00 0.00 N ATOM 937 CA ASN A 78 -8.774 -11.903 -0.024 1.00 0.00 C ATOM 938 C ASN A 78 -7.715 -12.030 1.046 1.00 0.00 C ATOM 939 O ASN A 78 -6.612 -11.498 0.890 1.00 0.00 O ATOM 940 CB ASN A 78 -8.994 -13.190 -0.779 1.00 0.00 C ATOM 941 CG ASN A 78 -9.829 -14.133 0.036 1.00 0.00 C ATOM 942 OD1 ASN A 78 -9.330 -15.014 0.728 1.00 0.00 O ATOM 943 ND2 ASN A 78 -11.095 -13.895 0.024 1.00 0.00 N ATOM 0 H ASN A 78 -7.450 -10.776 -1.142 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.728 -11.686 0.457 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -9.488 -12.983 -1.728 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -8.035 -13.652 -1.013 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.724 -14.449 0.605 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.469 -13.152 -0.567 1.00 0.00 H new ATOM 950 N VAL A 79 -8.051 -12.672 2.141 1.00 0.00 N ATOM 951 CA VAL A 79 -7.173 -12.770 3.290 1.00 0.00 C ATOM 952 C VAL A 79 -5.993 -13.680 3.016 1.00 0.00 C ATOM 953 O VAL A 79 -5.980 -14.418 2.020 1.00 0.00 O ATOM 954 CB VAL A 79 -7.927 -13.267 4.542 1.00 0.00 C ATOM 955 CG1 VAL A 79 -9.094 -12.351 4.860 1.00 0.00 C ATOM 956 CG2 VAL A 79 -8.397 -14.701 4.357 1.00 0.00 C ATOM 0 H VAL A 79 -8.946 -13.145 2.263 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.802 -11.763 3.481 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.238 -13.247 5.386 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.613 -12.717 5.745 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.725 -11.343 5.047 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.784 -12.334 4.016 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.925 -15.029 5.252 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.067 -14.756 3.499 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.536 -15.347 4.187 1.00 0.00 H new ATOM 966 N ASN A 80 -5.002 -13.607 3.895 1.00 0.00 N ATOM 967 CA ASN A 80 -3.782 -14.417 3.818 1.00 0.00 C ATOM 968 C ASN A 80 -3.046 -14.203 2.508 1.00 0.00 C ATOM 969 O ASN A 80 -2.337 -15.088 2.019 1.00 0.00 O ATOM 970 CB ASN A 80 -4.073 -15.914 4.076 1.00 0.00 C ATOM 971 CG ASN A 80 -4.403 -16.194 5.533 1.00 0.00 C ATOM 972 OD1 ASN A 80 -3.506 -16.381 6.356 1.00 0.00 O ATOM 973 ND2 ASN A 80 -5.665 -16.287 5.853 1.00 0.00 N ATOM 0 H ASN A 80 -5.018 -12.975 4.696 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.120 -14.077 4.614 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -4.906 -16.233 3.449 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.207 -16.506 3.781 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.933 -16.521 6.809 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.383 -16.126 5.147 1.00 0.00 H new ATOM 980 N TYR A 81 -3.184 -12.981 1.984 1.00 0.00 N ATOM 981 CA TYR A 81 -2.517 -12.522 0.774 1.00 0.00 C ATOM 982 C TYR A 81 -2.901 -13.374 -0.431 1.00 0.00 C ATOM 983 O TYR A 81 -2.048 -13.733 -1.251 1.00 0.00 O ATOM 984 CB TYR A 81 -0.983 -12.498 0.960 1.00 0.00 C ATOM 985 CG TYR A 81 -0.529 -11.793 2.221 1.00 0.00 C ATOM 986 CD1 TYR A 81 0.443 -12.351 3.038 1.00 0.00 C ATOM 987 CD2 TYR A 81 -1.092 -10.595 2.609 1.00 0.00 C ATOM 988 CE1 TYR A 81 0.836 -11.729 4.201 1.00 0.00 C ATOM 989 CE2 TYR A 81 -0.701 -9.971 3.760 1.00 0.00 C ATOM 990 CZ TYR A 81 0.258 -10.537 4.558 1.00 0.00 C ATOM 991 OH TYR A 81 0.643 -9.901 5.721 1.00 0.00 O ATOM 0 H TYR A 81 -3.780 -12.269 2.406 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.853 -11.503 0.583 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.613 -13.523 0.975 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.530 -12.008 0.098 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.899 -13.289 2.757 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.855 -10.143 1.993 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.594 -12.176 4.828 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.149 -9.029 4.041 1.00 0.00 H new ATOM 0 HH TYR A 81 1.580 -10.113 5.915 1.00 0.00 H new ATOM 1001 N THR A 82 -4.177 -13.660 -0.562 1.00 0.00 N ATOM 1002 CA THR A 82 -4.653 -14.453 -1.673 1.00 0.00 C ATOM 1003 C THR A 82 -5.570 -13.616 -2.551 1.00 0.00 C ATOM 1004 O THR A 82 -5.983 -12.508 -2.158 1.00 0.00 O ATOM 1005 CB THR A 82 -5.417 -15.724 -1.200 1.00 0.00 C ATOM 1006 OG1 THR A 82 -6.558 -15.364 -0.407 1.00 0.00 O ATOM 1007 CG2 THR A 82 -4.524 -16.634 -0.390 1.00 0.00 C ATOM 0 H THR A 82 -4.903 -13.356 0.086 1.00 0.00 H new ATOM 0 HA THR A 82 -3.779 -14.776 -2.239 1.00 0.00 H new ATOM 0 HB THR A 82 -5.744 -16.254 -2.095 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.262 -14.870 0.386 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.088 -17.512 -0.075 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.676 -16.947 -0.999 1.00 0.00 H new ATOM 0 HG23 THR A 82 -4.163 -16.101 0.489 1.00 0.00 H new ATOM 1015 N GLY A 83 -5.882 -14.131 -3.716 1.00 0.00 N ATOM 1016 CA GLY A 83 -6.787 -13.467 -4.595 1.00 0.00 C ATOM 1017 C GLY A 83 -6.085 -12.484 -5.476 1.00 0.00 C ATOM 1018 O GLY A 83 -4.951 -12.727 -5.920 1.00 0.00 O ATOM 0 H GLY A 83 -5.515 -15.014 -4.070 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.302 -14.204 -5.211 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.549 -12.952 -4.011 1.00 0.00 H new ATOM 1022 N ARG A 84 -6.724 -11.377 -5.696 1.00 0.00 N ATOM 1023 CA ARG A 84 -6.225 -10.341 -6.559 1.00 0.00 C ATOM 1024 C ARG A 84 -5.155 -9.562 -5.851 1.00 0.00 C ATOM 1025 O ARG A 84 -5.309 -9.207 -4.680 1.00 0.00 O ATOM 1026 CB ARG A 84 -7.363 -9.434 -6.951 1.00 0.00 C ATOM 1027 CG ARG A 84 -8.412 -10.125 -7.782 1.00 0.00 C ATOM 1028 CD ARG A 84 -9.687 -9.309 -7.850 1.00 0.00 C ATOM 1029 NE ARG A 84 -10.714 -9.945 -8.683 1.00 0.00 N ATOM 1030 CZ ARG A 84 -11.983 -10.173 -8.298 1.00 0.00 C ATOM 1031 NH1 ARG A 84 -12.319 -10.117 -7.001 1.00 0.00 N ATOM 1032 NH2 ARG A 84 -12.884 -10.563 -9.193 1.00 0.00 N ATOM 0 H ARG A 84 -7.627 -11.160 -5.274 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.794 -10.784 -7.457 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.828 -9.034 -6.050 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.967 -8.585 -7.509 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.030 -10.291 -8.789 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.628 -11.105 -7.357 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -10.078 -9.166 -6.843 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.461 -8.320 -8.248 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.446 -10.236 -9.623 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.611 -9.901 -6.300 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.283 -10.291 -6.716 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.613 -10.689 -10.168 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.847 -10.737 -8.905 1.00 0.00 H new ATOM 1046 N ILE A 85 -4.094 -9.295 -6.551 1.00 0.00 N ATOM 1047 CA ILE A 85 -2.957 -8.631 -5.971 1.00 0.00 C ATOM 1048 C ILE A 85 -2.752 -7.262 -6.621 1.00 0.00 C ATOM 1049 O ILE A 85 -2.943 -7.092 -7.832 1.00 0.00 O ATOM 1050 CB ILE A 85 -1.670 -9.516 -6.108 1.00 0.00 C ATOM 1051 CG1 ILE A 85 -0.499 -8.914 -5.344 1.00 0.00 C ATOM 1052 CG2 ILE A 85 -1.275 -9.680 -7.569 1.00 0.00 C ATOM 1053 CD1 ILE A 85 0.736 -9.800 -5.335 1.00 0.00 C ATOM 0 H ILE A 85 -3.988 -9.529 -7.538 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.148 -8.479 -4.909 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.908 -10.492 -5.684 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.243 -7.951 -5.786 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.806 -8.721 -4.316 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.380 -10.298 -7.637 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.088 -10.159 -8.114 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.074 -8.701 -8.004 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.531 -9.310 -4.774 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.496 -10.754 -4.866 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.068 -9.972 -6.359 1.00 0.00 H new ATOM 1065 N THR A 86 -2.478 -6.287 -5.821 1.00 0.00 N ATOM 1066 CA THR A 86 -2.183 -4.965 -6.307 1.00 0.00 C ATOM 1067 C THR A 86 -0.921 -4.426 -5.635 1.00 0.00 C ATOM 1068 O THR A 86 -0.848 -4.395 -4.416 1.00 0.00 O ATOM 1069 CB THR A 86 -3.397 -4.032 -6.103 1.00 0.00 C ATOM 1070 OG1 THR A 86 -4.510 -4.558 -6.836 1.00 0.00 O ATOM 1071 CG2 THR A 86 -3.113 -2.628 -6.579 1.00 0.00 C ATOM 0 H THR A 86 -2.450 -6.377 -4.805 1.00 0.00 H new ATOM 0 HA THR A 86 -1.989 -5.010 -7.379 1.00 0.00 H new ATOM 0 HB THR A 86 -3.616 -3.986 -5.036 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.167 -4.930 -6.211 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.992 -2.004 -6.418 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.270 -2.218 -6.022 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.871 -2.646 -7.642 1.00 0.00 H new ATOM 1079 N GLY A 87 0.064 -4.056 -6.423 1.00 0.00 N ATOM 1080 CA GLY A 87 1.291 -3.535 -5.883 1.00 0.00 C ATOM 1081 C GLY A 87 1.459 -2.064 -6.158 1.00 0.00 C ATOM 1082 O GLY A 87 1.398 -1.632 -7.304 1.00 0.00 O ATOM 0 H GLY A 87 0.035 -4.108 -7.441 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.313 -3.706 -4.807 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.133 -4.080 -6.309 1.00 0.00 H new ATOM 1086 N LEU A 88 1.641 -1.298 -5.114 1.00 0.00 N ATOM 1087 CA LEU A 88 1.840 0.136 -5.207 1.00 0.00 C ATOM 1088 C LEU A 88 3.214 0.511 -4.717 1.00 0.00 C ATOM 1089 O LEU A 88 3.742 -0.112 -3.783 1.00 0.00 O ATOM 1090 CB LEU A 88 0.763 0.903 -4.410 1.00 0.00 C ATOM 1091 CG LEU A 88 -0.435 1.434 -5.200 1.00 0.00 C ATOM 1092 CD1 LEU A 88 -0.008 2.559 -6.123 1.00 0.00 C ATOM 1093 CD2 LEU A 88 -1.087 0.326 -5.993 1.00 0.00 C ATOM 0 H LEU A 88 1.656 -1.653 -4.158 1.00 0.00 H new ATOM 0 HA LEU A 88 1.750 0.417 -6.256 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.388 0.245 -3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.244 1.747 -3.915 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.164 1.824 -4.489 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.873 2.924 -6.676 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.415 3.372 -5.534 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.742 2.190 -6.823 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.936 0.726 -6.547 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.364 -0.095 -6.692 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.432 -0.453 -5.314 1.00 0.00 H new ATOM 1105 N GLY A 89 3.786 1.515 -5.330 1.00 0.00 N ATOM 1106 CA GLY A 89 5.085 1.957 -4.954 1.00 0.00 C ATOM 1107 C GLY A 89 5.062 3.366 -4.423 1.00 0.00 C ATOM 1108 O GLY A 89 4.057 4.079 -4.567 1.00 0.00 O ATOM 0 H GLY A 89 3.362 2.039 -6.096 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.491 1.289 -4.195 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.751 1.903 -5.815 1.00 0.00 H new ATOM 1112 N HIS A 90 6.162 3.760 -3.818 1.00 0.00 N ATOM 1113 CA HIS A 90 6.332 5.084 -3.218 1.00 0.00 C ATOM 1114 C HIS A 90 6.073 6.216 -4.217 1.00 0.00 C ATOM 1115 O HIS A 90 6.642 6.251 -5.315 1.00 0.00 O ATOM 1116 CB HIS A 90 7.745 5.229 -2.595 1.00 0.00 C ATOM 1117 CG HIS A 90 8.880 5.039 -3.572 1.00 0.00 C ATOM 1118 ND1 HIS A 90 9.618 6.066 -4.123 1.00 0.00 N ATOM 1119 CD2 HIS A 90 9.391 3.902 -4.087 1.00 0.00 C ATOM 1120 CE1 HIS A 90 10.529 5.530 -4.934 1.00 0.00 C ATOM 1121 NE2 HIS A 90 10.431 4.214 -4.947 1.00 0.00 N ATOM 0 H HIS A 90 6.984 3.164 -3.723 1.00 0.00 H new ATOM 0 HA HIS A 90 5.585 5.170 -2.429 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.831 6.218 -2.145 1.00 0.00 H new ATOM 0 HB3 HIS A 90 7.850 4.502 -1.789 1.00 0.00 H new ATOM 0 HD1 HIS A 90 9.489 7.061 -3.941 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.044 2.904 -3.864 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.251 6.096 -5.504 1.00 0.00 H new ATOM 1129 N GLY A 91 5.185 7.099 -3.852 1.00 0.00 N ATOM 1130 CA GLY A 91 4.894 8.247 -4.655 1.00 0.00 C ATOM 1131 C GLY A 91 3.852 7.961 -5.708 1.00 0.00 C ATOM 1132 O GLY A 91 3.547 8.815 -6.533 1.00 0.00 O ATOM 0 H GLY A 91 4.644 7.040 -2.989 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.546 9.057 -4.014 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.809 8.592 -5.137 1.00 0.00 H new ATOM 1136 N THR A 92 3.316 6.767 -5.694 1.00 0.00 N ATOM 1137 CA THR A 92 2.324 6.392 -6.659 1.00 0.00 C ATOM 1138 C THR A 92 0.987 6.173 -5.951 1.00 0.00 C ATOM 1139 O THR A 92 0.951 5.711 -4.793 1.00 0.00 O ATOM 1140 CB THR A 92 2.752 5.096 -7.358 1.00 0.00 C ATOM 1141 OG1 THR A 92 4.143 5.201 -7.706 1.00 0.00 O ATOM 1142 CG2 THR A 92 1.938 4.872 -8.629 1.00 0.00 C ATOM 0 H THR A 92 3.553 6.038 -5.021 1.00 0.00 H new ATOM 0 HA THR A 92 2.219 7.184 -7.400 1.00 0.00 H new ATOM 0 HB THR A 92 2.583 4.256 -6.684 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.431 4.378 -8.153 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.259 3.947 -9.108 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.880 4.802 -8.376 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.093 5.707 -9.312 1.00 0.00 H new ATOM 1150 N CYS A 93 -0.097 6.490 -6.624 1.00 0.00 N ATOM 1151 CA CYS A 93 -1.397 6.322 -6.053 1.00 0.00 C ATOM 1152 C CYS A 93 -2.319 5.718 -7.102 1.00 0.00 C ATOM 1153 O CYS A 93 -2.039 5.788 -8.304 1.00 0.00 O ATOM 1154 CB CYS A 93 -2.000 7.665 -5.636 1.00 0.00 C ATOM 1155 SG CYS A 93 -0.866 8.927 -4.910 1.00 0.00 S ATOM 0 H CYS A 93 -0.094 6.867 -7.572 1.00 0.00 H new ATOM 0 HA CYS A 93 -1.300 5.680 -5.177 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -2.475 8.106 -6.512 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -2.790 7.467 -4.911 1.00 0.00 H new ATOM 1160 N ILE A 94 -3.374 5.100 -6.651 1.00 0.00 N ATOM 1161 CA ILE A 94 -4.412 4.598 -7.513 1.00 0.00 C ATOM 1162 C ILE A 94 -5.461 5.679 -7.601 1.00 0.00 C ATOM 1163 O ILE A 94 -5.859 6.223 -6.570 1.00 0.00 O ATOM 1164 CB ILE A 94 -5.059 3.324 -6.934 1.00 0.00 C ATOM 1165 CG1 ILE A 94 -3.985 2.296 -6.644 1.00 0.00 C ATOM 1166 CG2 ILE A 94 -6.087 2.754 -7.912 1.00 0.00 C ATOM 1167 CD1 ILE A 94 -4.505 1.025 -6.020 1.00 0.00 C ATOM 0 H ILE A 94 -3.542 4.927 -5.660 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.993 4.344 -8.487 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.573 3.577 -6.007 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.472 2.049 -7.574 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.243 2.738 -5.979 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.534 1.855 -7.487 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.865 3.495 -8.094 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.595 2.505 -8.853 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.675 0.340 -5.843 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.992 1.257 -5.073 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.224 0.557 -6.692 1.00 0.00 H new ATOM 1179 N ASP A 95 -5.895 5.982 -8.793 1.00 0.00 N ATOM 1180 CA ASP A 95 -6.854 7.069 -9.018 1.00 0.00 C ATOM 1181 C ASP A 95 -8.218 6.685 -8.470 1.00 0.00 C ATOM 1182 O ASP A 95 -8.855 7.442 -7.730 1.00 0.00 O ATOM 1183 CB ASP A 95 -6.958 7.384 -10.520 1.00 0.00 C ATOM 1184 CG ASP A 95 -5.618 7.707 -11.147 1.00 0.00 C ATOM 1185 OD1 ASP A 95 -4.990 6.788 -11.754 1.00 0.00 O ATOM 1186 OD2 ASP A 95 -5.149 8.855 -11.029 1.00 0.00 O ATOM 0 H ASP A 95 -5.606 5.496 -9.642 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.502 7.959 -8.496 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.399 6.531 -11.036 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.634 8.227 -10.664 1.00 0.00 H new ATOM 1191 N ASP A 96 -8.640 5.494 -8.800 1.00 0.00 N ATOM 1192 CA ASP A 96 -9.878 4.933 -8.322 1.00 0.00 C ATOM 1193 C ASP A 96 -9.639 3.494 -7.989 1.00 0.00 C ATOM 1194 O ASP A 96 -9.549 2.652 -8.894 1.00 0.00 O ATOM 1195 CB ASP A 96 -10.994 4.951 -9.367 1.00 0.00 C ATOM 1196 CG ASP A 96 -11.469 6.293 -9.844 1.00 0.00 C ATOM 1197 OD1 ASP A 96 -10.824 6.890 -10.729 1.00 0.00 O ATOM 1198 OD2 ASP A 96 -12.551 6.718 -9.420 1.00 0.00 O ATOM 0 H ASP A 96 -8.123 4.872 -9.422 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.189 5.536 -7.469 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.653 4.386 -10.235 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.850 4.417 -8.955 1.00 0.00 H new ATOM 1203 N PHE A 97 -9.510 3.189 -6.726 1.00 0.00 N ATOM 1204 CA PHE A 97 -9.285 1.826 -6.295 1.00 0.00 C ATOM 1205 C PHE A 97 -10.486 0.959 -6.632 1.00 0.00 C ATOM 1206 O PHE A 97 -10.354 -0.189 -6.991 1.00 0.00 O ATOM 1207 CB PHE A 97 -8.952 1.747 -4.811 1.00 0.00 C ATOM 1208 CG PHE A 97 -8.584 0.368 -4.394 1.00 0.00 C ATOM 1209 CD1 PHE A 97 -9.372 -0.352 -3.535 1.00 0.00 C ATOM 1210 CD2 PHE A 97 -7.449 -0.215 -4.902 1.00 0.00 C ATOM 1211 CE1 PHE A 97 -9.025 -1.634 -3.187 1.00 0.00 C ATOM 1212 CE2 PHE A 97 -7.092 -1.487 -4.561 1.00 0.00 C ATOM 1213 CZ PHE A 97 -7.878 -2.198 -3.705 1.00 0.00 C ATOM 0 H PHE A 97 -9.557 3.869 -5.967 1.00 0.00 H new ATOM 0 HA PHE A 97 -8.419 1.446 -6.837 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -8.128 2.425 -4.588 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.809 2.085 -4.229 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -10.270 0.091 -3.130 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -6.827 0.344 -5.585 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -9.648 -2.199 -2.510 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -6.193 -1.927 -4.967 1.00 0.00 H new ATOM 0 HZ PHE A 97 -7.602 -3.206 -3.431 1.00 0.00 H new ATOM 1223 N THR A 98 -11.643 1.560 -6.588 1.00 0.00 N ATOM 1224 CA THR A 98 -12.879 0.886 -6.888 1.00 0.00 C ATOM 1225 C THR A 98 -12.901 0.411 -8.366 1.00 0.00 C ATOM 1226 O THR A 98 -13.554 -0.563 -8.696 1.00 0.00 O ATOM 1227 CB THR A 98 -14.084 1.827 -6.569 1.00 0.00 C ATOM 1228 OG1 THR A 98 -15.357 1.202 -6.828 1.00 0.00 O ATOM 1229 CG2 THR A 98 -13.984 3.129 -7.350 1.00 0.00 C ATOM 0 H THR A 98 -11.757 2.543 -6.340 1.00 0.00 H new ATOM 0 HA THR A 98 -12.964 -0.002 -6.262 1.00 0.00 H new ATOM 0 HB THR A 98 -14.030 2.042 -5.502 1.00 0.00 H new ATOM 0 HG1 THR A 98 -16.079 1.829 -6.612 1.00 0.00 H new ATOM 0 HG21 THR A 98 -14.836 3.765 -7.108 1.00 0.00 H new ATOM 0 HG22 THR A 98 -13.061 3.643 -7.084 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.984 2.913 -8.418 1.00 0.00 H new ATOM 1237 N LYS A 99 -12.135 1.072 -9.227 1.00 0.00 N ATOM 1238 CA LYS A 99 -12.072 0.707 -10.634 1.00 0.00 C ATOM 1239 C LYS A 99 -10.897 -0.252 -10.864 1.00 0.00 C ATOM 1240 O LYS A 99 -10.717 -0.786 -11.946 1.00 0.00 O ATOM 1241 CB LYS A 99 -11.916 1.955 -11.521 1.00 0.00 C ATOM 1242 CG LYS A 99 -12.931 3.070 -11.243 1.00 0.00 C ATOM 1243 CD LYS A 99 -14.365 2.660 -11.473 1.00 0.00 C ATOM 1244 CE LYS A 99 -15.337 3.758 -11.020 1.00 0.00 C ATOM 1245 NZ LYS A 99 -15.104 5.063 -11.682 1.00 0.00 N ATOM 0 H LYS A 99 -11.548 1.866 -8.972 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.005 0.213 -10.906 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.911 2.356 -11.387 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -12.003 1.655 -12.565 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.819 3.401 -10.211 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.701 3.925 -11.879 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.520 2.448 -12.531 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.574 1.739 -10.929 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -16.358 3.434 -11.222 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -15.251 3.886 -9.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.863 5.724 -11.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -14.188 5.449 -11.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -15.096 4.932 -12.714 1.00 0.00 H new ATOM 1259 N SER A 100 -10.111 -0.470 -9.821 1.00 0.00 N ATOM 1260 CA SER A 100 -8.923 -1.315 -9.876 1.00 0.00 C ATOM 1261 C SER A 100 -9.306 -2.802 -9.663 1.00 0.00 C ATOM 1262 O SER A 100 -8.510 -3.604 -9.155 1.00 0.00 O ATOM 1263 CB SER A 100 -7.914 -0.827 -8.801 1.00 0.00 C ATOM 1264 OG SER A 100 -6.666 -1.499 -8.871 1.00 0.00 O ATOM 0 H SER A 100 -10.280 -0.062 -8.902 1.00 0.00 H new ATOM 0 HA SER A 100 -8.457 -1.240 -10.858 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.752 0.244 -8.922 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.346 -0.974 -7.811 1.00 0.00 H new ATOM 0 HG SER A 100 -6.818 -2.463 -8.959 1.00 0.00 H new ATOM 1270 N GLY A 101 -10.495 -3.171 -10.091 1.00 0.00 N ATOM 1271 CA GLY A 101 -10.942 -4.531 -9.970 1.00 0.00 C ATOM 1272 C GLY A 101 -11.689 -4.763 -8.696 1.00 0.00 C ATOM 1273 O GLY A 101 -12.916 -4.912 -8.692 1.00 0.00 O ATOM 0 H GLY A 101 -11.168 -2.540 -10.527 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.583 -4.779 -10.816 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.083 -5.200 -10.014 1.00 0.00 H new ATOM 1277 N PHE A 102 -10.975 -4.770 -7.620 1.00 0.00 N ATOM 1278 CA PHE A 102 -11.560 -4.974 -6.331 1.00 0.00 C ATOM 1279 C PHE A 102 -11.505 -3.692 -5.552 1.00 0.00 C ATOM 1280 O PHE A 102 -10.606 -2.891 -5.757 1.00 0.00 O ATOM 1281 CB PHE A 102 -10.864 -6.121 -5.580 1.00 0.00 C ATOM 1282 CG PHE A 102 -9.385 -5.942 -5.276 1.00 0.00 C ATOM 1283 CD1 PHE A 102 -8.421 -6.167 -6.245 1.00 0.00 C ATOM 1284 CD2 PHE A 102 -8.965 -5.608 -3.994 1.00 0.00 C ATOM 1285 CE1 PHE A 102 -7.077 -6.062 -5.942 1.00 0.00 C ATOM 1286 CE2 PHE A 102 -7.622 -5.499 -3.695 1.00 0.00 C ATOM 1287 CZ PHE A 102 -6.680 -5.727 -4.667 1.00 0.00 C ATOM 0 H PHE A 102 -9.964 -4.634 -7.607 1.00 0.00 H new ATOM 0 HA PHE A 102 -12.603 -5.265 -6.454 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -11.388 -6.278 -4.637 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -10.983 -7.032 -6.166 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -8.723 -6.427 -7.249 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -9.699 -5.431 -3.222 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -6.336 -6.243 -6.707 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.312 -5.234 -2.695 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.629 -5.644 -4.432 1.00 0.00 H new ATOM 1297 N LYS A 103 -12.476 -3.473 -4.697 1.00 0.00 N ATOM 1298 CA LYS A 103 -12.483 -2.258 -3.905 1.00 0.00 C ATOM 1299 C LYS A 103 -12.280 -2.602 -2.431 1.00 0.00 C ATOM 1300 O LYS A 103 -12.129 -1.731 -1.597 1.00 0.00 O ATOM 1301 CB LYS A 103 -13.794 -1.430 -4.104 1.00 0.00 C ATOM 1302 CG LYS A 103 -14.988 -1.809 -3.206 1.00 0.00 C ATOM 1303 CD LYS A 103 -15.505 -3.223 -3.424 1.00 0.00 C ATOM 1304 CE LYS A 103 -16.509 -3.581 -2.342 1.00 0.00 C ATOM 1305 NZ LYS A 103 -17.086 -4.932 -2.514 1.00 0.00 N ATOM 0 H LYS A 103 -13.259 -4.105 -4.531 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.660 -1.631 -4.248 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.562 -0.378 -3.938 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -14.105 -1.527 -5.144 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -14.693 -1.698 -2.162 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -15.801 -1.105 -3.384 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -15.972 -3.301 -4.406 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.675 -3.929 -3.409 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -16.023 -3.521 -1.368 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -17.313 -2.845 -2.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -17.763 -5.120 -1.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -17.576 -4.986 -3.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -16.325 -5.641 -2.486 1.00 0.00 H new ATOM 1319 N GLY A 104 -12.284 -3.882 -2.134 1.00 0.00 N ATOM 1320 CA GLY A 104 -12.175 -4.318 -0.778 1.00 0.00 C ATOM 1321 C GLY A 104 -10.935 -5.117 -0.535 1.00 0.00 C ATOM 1322 O GLY A 104 -10.758 -6.198 -1.102 1.00 0.00 O ATOM 0 H GLY A 104 -12.362 -4.633 -2.820 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.180 -3.450 -0.119 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -13.047 -4.919 -0.521 1.00 0.00 H new ATOM 1326 N ILE A 105 -10.085 -4.600 0.299 1.00 0.00 N ATOM 1327 CA ILE A 105 -8.848 -5.246 0.641 1.00 0.00 C ATOM 1328 C ILE A 105 -9.044 -6.031 1.882 1.00 0.00 C ATOM 1329 O ILE A 105 -9.390 -5.512 2.940 1.00 0.00 O ATOM 1330 CB ILE A 105 -7.733 -4.187 0.831 1.00 0.00 C ATOM 1331 CG1 ILE A 105 -7.606 -3.371 -0.434 1.00 0.00 C ATOM 1332 CG2 ILE A 105 -6.409 -4.840 1.157 1.00 0.00 C ATOM 1333 CD1 ILE A 105 -6.802 -2.112 -0.264 1.00 0.00 C ATOM 0 H ILE A 105 -10.230 -3.706 0.769 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.544 -5.917 -0.162 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.003 -3.541 1.667 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -7.144 -3.985 -1.207 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -8.603 -3.110 -0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.646 -4.072 1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -6.504 -5.414 2.079 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.121 -5.505 0.343 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.755 -1.579 -1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.275 -1.477 0.485 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.793 -2.366 0.060 1.00 0.00 H new ATOM 1345 N SER A 106 -8.900 -7.272 1.695 1.00 0.00 N ATOM 1346 CA SER A 106 -8.978 -8.247 2.683 1.00 0.00 C ATOM 1347 C SER A 106 -7.654 -8.488 3.443 1.00 0.00 C ATOM 1348 O SER A 106 -7.668 -8.994 4.562 1.00 0.00 O ATOM 1349 CB SER A 106 -9.546 -9.468 2.068 1.00 0.00 C ATOM 1350 OG SER A 106 -10.954 -9.378 1.889 1.00 0.00 O ATOM 0 H SER A 106 -8.709 -7.662 0.772 1.00 0.00 H new ATOM 0 HA SER A 106 -9.639 -7.898 3.476 1.00 0.00 H new ATOM 0 HB2 SER A 106 -9.070 -9.641 1.103 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.316 -10.329 2.696 1.00 0.00 H new ATOM 0 HG SER A 106 -11.178 -9.572 0.955 1.00 0.00 H new ATOM 1356 N SER A 107 -6.519 -8.187 2.818 1.00 0.00 N ATOM 1357 CA SER A 107 -5.229 -8.314 3.484 1.00 0.00 C ATOM 1358 C SER A 107 -4.189 -7.424 2.789 1.00 0.00 C ATOM 1359 O SER A 107 -4.327 -7.133 1.596 1.00 0.00 O ATOM 1360 CB SER A 107 -4.767 -9.791 3.560 1.00 0.00 C ATOM 1361 OG SER A 107 -4.615 -10.399 2.290 1.00 0.00 O ATOM 0 H SER A 107 -6.468 -7.855 1.855 1.00 0.00 H new ATOM 0 HA SER A 107 -5.337 -7.972 4.513 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.818 -9.840 4.094 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.491 -10.361 4.143 1.00 0.00 H new ATOM 0 HG SER A 107 -5.497 -10.628 1.929 1.00 0.00 H new ATOM 1367 N ILE A 108 -3.174 -6.982 3.523 1.00 0.00 N ATOM 1368 CA ILE A 108 -2.166 -6.069 2.990 1.00 0.00 C ATOM 1369 C ILE A 108 -0.785 -6.601 3.320 1.00 0.00 C ATOM 1370 O ILE A 108 -0.505 -6.916 4.479 1.00 0.00 O ATOM 1371 CB ILE A 108 -2.287 -4.633 3.607 1.00 0.00 C ATOM 1372 CG1 ILE A 108 -3.693 -4.074 3.421 1.00 0.00 C ATOM 1373 CG2 ILE A 108 -1.257 -3.693 3.001 1.00 0.00 C ATOM 1374 CD1 ILE A 108 -3.856 -2.684 3.966 1.00 0.00 C ATOM 0 H ILE A 108 -3.026 -7.243 4.498 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.324 -6.003 1.914 1.00 0.00 H new ATOM 0 HB ILE A 108 -2.091 -4.714 4.676 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.938 -4.072 2.359 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -4.407 -4.735 3.911 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.362 -2.703 3.446 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -0.255 -4.075 3.198 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.415 -3.626 1.925 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -4.879 -2.346 3.801 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -3.642 -2.685 5.035 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -3.165 -2.011 3.458 1.00 0.00 H new ATOM 1386 N LYS A 109 0.082 -6.660 2.343 1.00 0.00 N ATOM 1387 CA LYS A 109 1.416 -7.157 2.566 1.00 0.00 C ATOM 1388 C LYS A 109 2.384 -6.033 2.301 1.00 0.00 C ATOM 1389 O LYS A 109 2.272 -5.330 1.301 1.00 0.00 O ATOM 1390 CB LYS A 109 1.755 -8.341 1.641 1.00 0.00 C ATOM 1391 CG LYS A 109 3.050 -9.059 2.037 1.00 0.00 C ATOM 1392 CD LYS A 109 3.543 -10.052 0.983 1.00 0.00 C ATOM 1393 CE LYS A 109 2.519 -11.107 0.618 1.00 0.00 C ATOM 1394 NZ LYS A 109 3.042 -12.035 -0.409 1.00 0.00 N ATOM 0 H LYS A 109 -0.111 -6.370 1.384 1.00 0.00 H new ATOM 0 HA LYS A 109 1.486 -7.513 3.594 1.00 0.00 H new ATOM 0 HB2 LYS A 109 0.931 -9.055 1.657 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.845 -7.980 0.616 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.827 -8.317 2.217 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.890 -9.588 2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.825 -9.504 0.084 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.443 -10.544 1.352 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.239 -11.669 1.509 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.614 -10.625 0.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.317 -12.745 -0.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.286 -11.501 -1.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.892 -12.512 -0.045 1.00 0.00 H new ATOM 1408 N ARG A 110 3.302 -5.852 3.190 1.00 0.00 N ATOM 1409 CA ARG A 110 4.265 -4.804 3.064 1.00 0.00 C ATOM 1410 C ARG A 110 5.560 -5.395 2.531 1.00 0.00 C ATOM 1411 O ARG A 110 6.041 -6.407 3.046 1.00 0.00 O ATOM 1412 CB ARG A 110 4.506 -4.146 4.424 1.00 0.00 C ATOM 1413 CG ARG A 110 5.416 -2.933 4.381 1.00 0.00 C ATOM 1414 CD ARG A 110 5.777 -2.454 5.791 1.00 0.00 C ATOM 1415 NE ARG A 110 6.518 -3.476 6.560 1.00 0.00 N ATOM 1416 CZ ARG A 110 6.657 -3.497 7.901 1.00 0.00 C ATOM 1417 NH1 ARG A 110 6.067 -2.570 8.659 1.00 0.00 N ATOM 1418 NH2 ARG A 110 7.376 -4.463 8.483 1.00 0.00 N ATOM 0 H ARG A 110 3.408 -6.426 4.027 1.00 0.00 H new ATOM 0 HA ARG A 110 3.896 -4.043 2.376 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.546 -3.850 4.846 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.937 -4.885 5.100 1.00 0.00 H new ATOM 0 HG2 ARG A 110 6.326 -3.179 3.834 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.925 -2.127 3.836 1.00 0.00 H new ATOM 0 HD2 ARG A 110 6.379 -1.548 5.721 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.865 -2.190 6.327 1.00 0.00 H new ATOM 0 HE ARG A 110 6.961 -4.228 6.032 1.00 0.00 H new ATOM 0 HH11 ARG A 110 5.505 -1.838 8.224 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.178 -2.594 9.673 1.00 0.00 H new ATOM 0 HH21 ARG A 110 7.819 -5.183 7.912 1.00 0.00 H new ATOM 0 HH22 ARG A 110 7.482 -4.479 9.497 1.00 0.00 H new ATOM 1432 N CYS A 111 6.095 -4.798 1.518 1.00 0.00 N ATOM 1433 CA CYS A 111 7.318 -5.240 0.920 1.00 0.00 C ATOM 1434 C CYS A 111 8.246 -4.060 0.760 1.00 0.00 C ATOM 1435 O CYS A 111 7.871 -2.913 1.039 1.00 0.00 O ATOM 1436 CB CYS A 111 7.021 -5.866 -0.434 1.00 0.00 C ATOM 1437 SG CYS A 111 5.860 -7.270 -0.377 1.00 0.00 S ATOM 0 H CYS A 111 5.690 -3.975 1.072 1.00 0.00 H new ATOM 0 HA CYS A 111 7.796 -5.986 1.555 1.00 0.00 H new ATOM 0 HB2 CYS A 111 6.613 -5.100 -1.093 1.00 0.00 H new ATOM 0 HB3 CYS A 111 7.958 -6.203 -0.878 1.00 0.00 H new ATOM 1442 N ILE A 112 9.447 -4.325 0.379 1.00 0.00 N ATOM 1443 CA ILE A 112 10.400 -3.292 0.114 1.00 0.00 C ATOM 1444 C ILE A 112 10.991 -3.496 -1.256 1.00 0.00 C ATOM 1445 O ILE A 112 11.249 -4.618 -1.667 1.00 0.00 O ATOM 1446 CB ILE A 112 11.540 -3.240 1.152 1.00 0.00 C ATOM 1447 CG1 ILE A 112 12.089 -4.642 1.397 1.00 0.00 C ATOM 1448 CG2 ILE A 112 11.068 -2.598 2.453 1.00 0.00 C ATOM 1449 CD1 ILE A 112 13.486 -4.659 1.945 1.00 0.00 C ATOM 0 H ILE A 112 9.803 -5.271 0.240 1.00 0.00 H new ATOM 0 HA ILE A 112 9.865 -2.344 0.173 1.00 0.00 H new ATOM 0 HB ILE A 112 12.343 -2.619 0.755 1.00 0.00 H new ATOM 0 HG12 ILE A 112 11.430 -5.164 2.091 1.00 0.00 H new ATOM 0 HG13 ILE A 112 12.070 -5.198 0.460 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.891 -2.574 3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.730 -1.581 2.255 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.245 -3.180 2.868 1.00 0.00 H new ATOM 0 HD11 ILE A 112 13.806 -5.690 2.093 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.159 -4.167 1.242 1.00 0.00 H new ATOM 0 HD13 ILE A 112 13.509 -4.132 2.899 1.00 0.00 H new ATOM 1461 N GLN A 113 11.192 -2.443 -1.948 1.00 0.00 N ATOM 1462 CA GLN A 113 11.760 -2.499 -3.237 1.00 0.00 C ATOM 1463 C GLN A 113 13.140 -1.935 -3.152 1.00 0.00 C ATOM 1464 O GLN A 113 13.339 -0.790 -2.744 1.00 0.00 O ATOM 1465 CB GLN A 113 10.914 -1.764 -4.262 1.00 0.00 C ATOM 1466 CG GLN A 113 11.382 -1.997 -5.682 1.00 0.00 C ATOM 1467 CD GLN A 113 10.451 -1.421 -6.712 1.00 0.00 C ATOM 1468 OE1 GLN A 113 9.803 -0.395 -6.492 1.00 0.00 O ATOM 1469 NE2 GLN A 113 10.344 -2.096 -7.827 1.00 0.00 N ATOM 0 H GLN A 113 10.963 -1.501 -1.630 1.00 0.00 H new ATOM 0 HA GLN A 113 11.801 -3.534 -3.577 1.00 0.00 H new ATOM 0 HB2 GLN A 113 9.877 -2.086 -4.168 1.00 0.00 H new ATOM 0 HB3 GLN A 113 10.937 -0.696 -4.047 1.00 0.00 H new ATOM 0 HG2 GLN A 113 12.371 -1.557 -5.809 1.00 0.00 H new ATOM 0 HG3 GLN A 113 11.485 -3.069 -5.853 1.00 0.00 H new ATOM 0 HE21 GLN A 113 10.899 -2.940 -7.968 1.00 0.00 H new ATOM 0 HE22 GLN A 113 9.705 -1.778 -8.556 1.00 0.00 H new ATOM 1478 N THR A 114 14.074 -2.747 -3.485 1.00 0.00 N ATOM 1479 CA THR A 114 15.461 -2.418 -3.386 1.00 0.00 C ATOM 1480 C THR A 114 15.867 -1.443 -4.488 1.00 0.00 C ATOM 1481 O THR A 114 15.076 -1.147 -5.402 1.00 0.00 O ATOM 1482 CB THR A 114 16.282 -3.704 -3.535 1.00 0.00 C ATOM 1483 OG1 THR A 114 15.976 -4.287 -4.809 1.00 0.00 O ATOM 1484 CG2 THR A 114 15.917 -4.703 -2.444 1.00 0.00 C ATOM 0 H THR A 114 13.898 -3.685 -3.844 1.00 0.00 H new ATOM 0 HA THR A 114 15.645 -1.950 -2.419 1.00 0.00 H new ATOM 0 HB THR A 114 17.342 -3.464 -3.454 1.00 0.00 H new ATOM 0 HG1 THR A 114 15.084 -4.691 -4.778 1.00 0.00 H new ATOM 0 HG21 THR A 114 16.510 -5.609 -2.567 1.00 0.00 H new ATOM 0 HG22 THR A 114 16.121 -4.265 -1.467 1.00 0.00 H new ATOM 0 HG23 THR A 114 14.858 -4.950 -2.517 1.00 0.00 H new ATOM 1492 N LYS A 115 17.094 -0.966 -4.419 1.00 0.00 N ATOM 1493 CA LYS A 115 17.651 -0.111 -5.452 1.00 0.00 C ATOM 1494 C LYS A 115 17.817 -0.918 -6.762 1.00 0.00 C ATOM 1495 O LYS A 115 17.944 -0.364 -7.855 1.00 0.00 O ATOM 1496 CB LYS A 115 18.989 0.496 -4.979 1.00 0.00 C ATOM 1497 CG LYS A 115 19.616 1.494 -5.949 1.00 0.00 C ATOM 1498 CD LYS A 115 18.690 2.674 -6.201 1.00 0.00 C ATOM 1499 CE LYS A 115 19.277 3.637 -7.208 1.00 0.00 C ATOM 1500 NZ LYS A 115 18.386 4.784 -7.448 1.00 0.00 N ATOM 0 H LYS A 115 17.733 -1.159 -3.648 1.00 0.00 H new ATOM 0 HA LYS A 115 16.970 0.716 -5.650 1.00 0.00 H new ATOM 0 HB2 LYS A 115 18.829 0.992 -4.022 1.00 0.00 H new ATOM 0 HB3 LYS A 115 19.698 -0.313 -4.804 1.00 0.00 H new ATOM 0 HG2 LYS A 115 20.563 1.852 -5.545 1.00 0.00 H new ATOM 0 HG3 LYS A 115 19.840 0.996 -6.893 1.00 0.00 H new ATOM 0 HD2 LYS A 115 17.727 2.311 -6.562 1.00 0.00 H new ATOM 0 HD3 LYS A 115 18.502 3.197 -5.263 1.00 0.00 H new ATOM 0 HE2 LYS A 115 20.242 3.995 -6.850 1.00 0.00 H new ATOM 0 HE3 LYS A 115 19.459 3.115 -8.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 18.822 5.422 -8.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 17.474 4.444 -7.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 18.232 5.297 -6.556 1.00 0.00 H new ATOM 1514 N ASP A 116 17.822 -2.237 -6.631 1.00 0.00 N ATOM 1515 CA ASP A 116 17.926 -3.129 -7.779 1.00 0.00 C ATOM 1516 C ASP A 116 16.542 -3.367 -8.397 1.00 0.00 C ATOM 1517 O ASP A 116 16.405 -3.918 -9.494 1.00 0.00 O ATOM 1518 CB ASP A 116 18.567 -4.457 -7.344 1.00 0.00 C ATOM 1519 CG ASP A 116 18.638 -5.489 -8.449 1.00 0.00 C ATOM 1520 OD1 ASP A 116 19.235 -5.207 -9.508 1.00 0.00 O ATOM 1521 OD2 ASP A 116 18.146 -6.617 -8.253 1.00 0.00 O ATOM 0 H ASP A 116 17.755 -2.717 -5.734 1.00 0.00 H new ATOM 0 HA ASP A 116 18.558 -2.667 -8.537 1.00 0.00 H new ATOM 0 HB2 ASP A 116 19.574 -4.261 -6.977 1.00 0.00 H new ATOM 0 HB3 ASP A 116 17.998 -4.869 -6.510 1.00 0.00 H new ATOM 1526 N GLY A 117 15.527 -2.894 -7.723 1.00 0.00 N ATOM 1527 CA GLY A 117 14.188 -2.996 -8.238 1.00 0.00 C ATOM 1528 C GLY A 117 13.470 -4.241 -7.777 1.00 0.00 C ATOM 1529 O GLY A 117 12.251 -4.356 -7.961 1.00 0.00 O ATOM 0 H GLY A 117 15.602 -2.434 -6.816 1.00 0.00 H new ATOM 0 HA2 GLY A 117 13.618 -2.120 -7.929 1.00 0.00 H new ATOM 0 HA3 GLY A 117 14.222 -2.986 -9.327 1.00 0.00 H new ATOM 1533 N LYS A 118 14.202 -5.179 -7.177 1.00 0.00 N ATOM 1534 CA LYS A 118 13.577 -6.390 -6.692 1.00 0.00 C ATOM 1535 C LYS A 118 12.749 -6.049 -5.466 1.00 0.00 C ATOM 1536 O LYS A 118 13.200 -5.268 -4.594 1.00 0.00 O ATOM 1537 CB LYS A 118 14.604 -7.516 -6.378 1.00 0.00 C ATOM 1538 CG LYS A 118 15.505 -7.273 -5.186 1.00 0.00 C ATOM 1539 CD LYS A 118 16.386 -8.474 -4.874 1.00 0.00 C ATOM 1540 CE LYS A 118 17.210 -8.229 -3.618 1.00 0.00 C ATOM 1541 NZ LYS A 118 18.011 -9.405 -3.229 1.00 0.00 N ATOM 0 H LYS A 118 15.208 -5.119 -7.021 1.00 0.00 H new ATOM 0 HA LYS A 118 12.937 -6.786 -7.481 1.00 0.00 H new ATOM 0 HB2 LYS A 118 14.057 -8.444 -6.213 1.00 0.00 H new ATOM 0 HB3 LYS A 118 15.230 -7.667 -7.258 1.00 0.00 H new ATOM 0 HG2 LYS A 118 16.134 -6.404 -5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 118 14.895 -7.036 -4.314 1.00 0.00 H new ATOM 0 HD2 LYS A 118 15.766 -9.360 -4.740 1.00 0.00 H new ATOM 0 HD3 LYS A 118 17.049 -8.673 -5.716 1.00 0.00 H new ATOM 0 HE2 LYS A 118 17.873 -7.380 -3.783 1.00 0.00 H new ATOM 0 HE3 LYS A 118 16.545 -7.959 -2.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 18.553 -9.187 -2.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 17.379 -10.210 -3.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 18.666 -9.649 -3.999 1.00 0.00 H new ATOM 1555 N VAL A 119 11.553 -6.562 -5.419 1.00 0.00 N ATOM 1556 CA VAL A 119 10.667 -6.291 -4.318 1.00 0.00 C ATOM 1557 C VAL A 119 10.723 -7.467 -3.371 1.00 0.00 C ATOM 1558 O VAL A 119 10.290 -8.570 -3.713 1.00 0.00 O ATOM 1559 CB VAL A 119 9.197 -6.064 -4.785 1.00 0.00 C ATOM 1560 CG1 VAL A 119 8.331 -5.593 -3.632 1.00 0.00 C ATOM 1561 CG2 VAL A 119 9.127 -5.067 -5.927 1.00 0.00 C ATOM 0 H VAL A 119 11.165 -7.175 -6.135 1.00 0.00 H new ATOM 0 HA VAL A 119 10.991 -5.373 -3.828 1.00 0.00 H new ATOM 0 HB VAL A 119 8.817 -7.021 -5.143 1.00 0.00 H new ATOM 0 HG11 VAL A 119 7.310 -5.441 -3.982 1.00 0.00 H new ATOM 0 HG12 VAL A 119 8.336 -6.345 -2.843 1.00 0.00 H new ATOM 0 HG13 VAL A 119 8.724 -4.654 -3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 119 8.088 -4.932 -6.229 1.00 0.00 H new ATOM 0 HG22 VAL A 119 9.538 -4.111 -5.601 1.00 0.00 H new ATOM 0 HG23 VAL A 119 9.704 -5.441 -6.772 1.00 0.00 H new ATOM 1571 N GLU A 120 11.267 -7.239 -2.226 1.00 0.00 N ATOM 1572 CA GLU A 120 11.436 -8.253 -1.233 1.00 0.00 C ATOM 1573 C GLU A 120 10.283 -8.196 -0.275 1.00 0.00 C ATOM 1574 O GLU A 120 9.885 -7.109 0.168 1.00 0.00 O ATOM 1575 CB GLU A 120 12.748 -8.027 -0.481 1.00 0.00 C ATOM 1576 CG GLU A 120 13.989 -8.146 -1.348 1.00 0.00 C ATOM 1577 CD GLU A 120 14.287 -9.569 -1.755 1.00 0.00 C ATOM 1578 OE1 GLU A 120 15.261 -10.140 -1.241 1.00 0.00 O ATOM 1579 OE2 GLU A 120 13.562 -10.145 -2.594 1.00 0.00 O ATOM 0 H GLU A 120 11.616 -6.323 -1.944 1.00 0.00 H new ATOM 0 HA GLU A 120 11.467 -9.233 -1.710 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.728 -7.036 -0.028 1.00 0.00 H new ATOM 0 HB3 GLU A 120 12.816 -8.748 0.333 1.00 0.00 H new ATOM 0 HG2 GLU A 120 13.861 -7.537 -2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 120 14.844 -7.741 -0.807 1.00 0.00 H new ATOM 1586 N CYS A 121 9.754 -9.328 0.036 1.00 0.00 N ATOM 1587 CA CYS A 121 8.663 -9.436 0.958 1.00 0.00 C ATOM 1588 C CYS A 121 9.040 -10.514 1.943 1.00 0.00 C ATOM 1589 O CYS A 121 9.902 -11.355 1.634 1.00 0.00 O ATOM 1590 CB CYS A 121 7.374 -9.834 0.222 1.00 0.00 C ATOM 1591 SG CYS A 121 6.920 -8.781 -1.205 1.00 0.00 S ATOM 0 H CYS A 121 10.067 -10.221 -0.345 1.00 0.00 H new ATOM 0 HA CYS A 121 8.480 -8.484 1.456 1.00 0.00 H new ATOM 0 HB2 CYS A 121 7.478 -10.862 -0.126 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.551 -9.822 0.936 1.00 0.00 H new