USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1007 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 45 TYR OH : rot -20:sc= 1.21 USER MOD Set 1.2: A 57 THR OG1 : rot 78:sc= 1.29 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.227 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -139:sc= -0.666 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.367 USER MOD Single : A 12 HIS : no HD1:sc= 1.02 K(o=1,f=-4.8!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0684 X(o=-0.068,f=-0.15) USER MOD Single : A 20 GLN : amide:sc= -0.455 X(o=-0.46,f=-0.46) USER MOD Single : A 21 LYS NZ :NH3+ -124:sc= 0.392 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -175:sc= -3.11! (180deg=-3.14!) USER MOD Single : A 28 LYS NZ :NH3+ -116:sc= 1.21 (180deg=0.136) USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= -0.0558 (180deg=-0.319) USER MOD Single : A 32 LYS NZ :NH3+ 134:sc= 1.24 (180deg=0.788) USER MOD Single : A 34 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0703) USER MOD Single : A 35 LYS NZ :NH3+ -169:sc= -0.0182 (180deg=-0.16) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 44 TYR OH : rot 180:sc= -0.0891 USER MOD Single : A 53 LYS NZ :NH3+ 171:sc= -0.0182 (180deg=-0.125) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.15) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 150:sc= 1.26 (180deg=1.14) USER MOD Single : A 70 HIS : no HE2:sc= -1.98 K(o=-2,f=-6.9!) USER MOD Single : A 76 LYS NZ :NH3+ -157:sc= 1.22 (180deg=1.02) USER MOD Single : A 81 LYS NZ :NH3+ -171:sc= -0.0135 (180deg=-0.143) USER MOD Single : A 82 ASN : amide:sc=-0.00681 K(o=-0.0068,f=-0.85) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot -38:sc= 0.233 USER MOD Single : A 89 SER OG : rot 180:sc= 0.0025 USER MOD Single : A 90 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0208) USER MOD Single : A 94 LYS NZ :NH3+ -165:sc= -0.0646 (180deg=-0.331) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -0.426 X(o=-0.43,f=-0.026) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 157:sc= 0.0612 (180deg=-0.215) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.4 X(o=-0.4,f=-0.17) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 178:sc= 1.25 (180deg=1.14) USER MOD Single : A 122 LYS NZ :NH3+ -106:sc= -0.703 (180deg=-2.84!) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N PHE A 3 -3.213 4.682 -10.706 1.00 1.08 N ATOM 106 CA PHE A 3 -3.083 4.472 -9.264 1.00 0.89 C ATOM 107 C PHE A 3 -2.217 5.553 -8.619 1.00 0.90 C ATOM 108 O PHE A 3 -1.057 5.314 -8.280 1.00 1.22 O ATOM 109 CB PHE A 3 -2.487 3.094 -8.974 1.00 0.94 C ATOM 110 CG PHE A 3 -3.345 1.957 -9.444 1.00 0.86 C ATOM 111 CD1 PHE A 3 -4.499 1.619 -8.761 1.00 0.90 C ATOM 112 CD2 PHE A 3 -2.992 1.223 -10.566 1.00 0.97 C ATOM 113 CE1 PHE A 3 -5.292 0.574 -9.188 1.00 0.97 C ATOM 114 CE2 PHE A 3 -3.780 0.177 -10.998 1.00 0.99 C ATOM 115 CZ PHE A 3 -4.932 -0.149 -10.307 1.00 0.96 C ATOM 0 HA PHE A 3 -4.083 4.530 -8.833 1.00 0.89 H new ATOM 0 HB2 PHE A 3 -1.510 3.022 -9.452 1.00 0.94 H new ATOM 0 HB3 PHE A 3 -2.325 2.996 -7.901 1.00 0.94 H new ATOM 0 HD1 PHE A 3 -4.783 2.180 -7.883 1.00 0.90 H new ATOM 0 HD2 PHE A 3 -2.091 1.473 -11.107 1.00 0.97 H new ATOM 0 HE1 PHE A 3 -6.193 0.322 -8.648 1.00 0.97 H new ATOM 0 HE2 PHE A 3 -3.498 -0.387 -11.875 1.00 0.99 H new ATOM 0 HZ PHE A 3 -5.550 -0.969 -10.643 1.00 0.96 H new ATOM 125 N THR A 4 -2.763 6.749 -8.500 1.00 0.74 N ATOM 126 CA THR A 4 -2.108 7.814 -7.769 1.00 0.76 C ATOM 127 C THR A 4 -2.390 7.679 -6.279 1.00 0.71 C ATOM 128 O THR A 4 -3.280 6.925 -5.873 1.00 0.76 O ATOM 129 CB THR A 4 -2.574 9.204 -8.251 1.00 0.77 C ATOM 130 OG1 THR A 4 -3.990 9.338 -8.067 1.00 0.68 O ATOM 131 CG2 THR A 4 -2.234 9.415 -9.718 1.00 0.96 C ATOM 0 H THR A 4 -3.664 7.007 -8.903 1.00 0.74 H new ATOM 0 HA THR A 4 -1.037 7.727 -7.953 1.00 0.76 H new ATOM 0 HB THR A 4 -2.053 9.958 -7.660 1.00 0.77 H new ATOM 0 HG1 THR A 4 -4.277 10.223 -8.374 1.00 0.68 H new ATOM 0 HG21 THR A 4 -2.573 10.402 -10.032 1.00 0.96 H new ATOM 0 HG22 THR A 4 -1.155 9.341 -9.856 1.00 0.96 H new ATOM 0 HG23 THR A 4 -2.729 8.653 -10.320 1.00 0.96 H new ATOM 139 N LEU A 5 -1.630 8.385 -5.466 1.00 0.74 N ATOM 140 CA LEU A 5 -1.854 8.382 -4.029 1.00 0.77 C ATOM 141 C LEU A 5 -3.220 8.989 -3.686 1.00 0.67 C ATOM 142 O LEU A 5 -3.911 8.510 -2.791 1.00 0.73 O ATOM 143 CB LEU A 5 -0.712 9.153 -3.336 1.00 0.91 C ATOM 144 CG LEU A 5 -0.687 9.129 -1.796 1.00 1.02 C ATOM 145 CD1 LEU A 5 -1.682 10.118 -1.207 1.00 1.67 C ATOM 146 CD2 LEU A 5 -0.959 7.726 -1.273 1.00 1.67 C ATOM 0 H LEU A 5 -0.852 8.969 -5.773 1.00 0.74 H new ATOM 0 HA LEU A 5 -1.858 7.354 -3.668 1.00 0.77 H new ATOM 0 HB2 LEU A 5 0.235 8.752 -3.697 1.00 0.91 H new ATOM 0 HB3 LEU A 5 -0.761 10.193 -3.658 1.00 0.91 H new ATOM 0 HG LEU A 5 0.312 9.431 -1.480 1.00 1.02 H new ATOM 0 HD11 LEU A 5 -1.638 10.074 -0.119 1.00 1.67 H new ATOM 0 HD12 LEU A 5 -1.434 11.126 -1.540 1.00 1.67 H new ATOM 0 HD13 LEU A 5 -2.688 9.863 -1.539 1.00 1.67 H new ATOM 0 HD21 LEU A 5 -0.936 7.733 -0.183 1.00 1.67 H new ATOM 0 HD22 LEU A 5 -1.940 7.395 -1.613 1.00 1.67 H new ATOM 0 HD23 LEU A 5 -0.196 7.044 -1.647 1.00 1.67 H new ATOM 158 N GLU A 6 -3.620 10.006 -4.442 1.00 0.60 N ATOM 159 CA GLU A 6 -4.993 10.515 -4.387 1.00 0.58 C ATOM 160 C GLU A 6 -5.949 9.389 -4.778 1.00 0.59 C ATOM 161 O GLU A 6 -6.949 9.194 -4.086 1.00 0.61 O ATOM 162 CB GLU A 6 -5.132 11.702 -5.337 1.00 0.62 C ATOM 163 CG GLU A 6 -4.113 12.796 -5.071 1.00 0.87 C ATOM 164 CD GLU A 6 -4.018 13.801 -6.194 1.00 1.35 C ATOM 165 OE1 GLU A 6 -4.840 14.740 -6.233 1.00 1.68 O ATOM 166 OE2 GLU A 6 -3.115 13.668 -7.039 1.00 1.80 O ATOM 0 H GLU A 6 -3.016 10.497 -5.101 1.00 0.60 H new ATOM 0 HA GLU A 6 -5.235 10.853 -3.379 1.00 0.58 H new ATOM 0 HB2 GLU A 6 -5.023 11.353 -6.364 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -6.136 12.118 -5.246 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -4.377 13.314 -4.149 1.00 0.87 H new ATOM 0 HG3 GLU A 6 -3.134 12.343 -4.913 1.00 0.87 H new ATOM 173 N SER A 7 -5.690 8.661 -5.853 1.00 0.59 N ATOM 174 CA SER A 7 -6.622 7.646 -6.348 1.00 0.63 C ATOM 175 C SER A 7 -7.031 6.612 -5.282 1.00 0.62 C ATOM 176 O SER A 7 -8.051 5.938 -5.440 1.00 0.78 O ATOM 177 CB SER A 7 -6.010 6.933 -7.557 1.00 0.67 C ATOM 178 OG SER A 7 -6.941 6.068 -8.183 1.00 1.14 O ATOM 0 H SER A 7 -4.838 8.751 -6.406 1.00 0.59 H new ATOM 0 HA SER A 7 -7.534 8.171 -6.633 1.00 0.63 H new ATOM 0 HB2 SER A 7 -5.660 7.673 -8.277 1.00 0.67 H new ATOM 0 HB3 SER A 7 -5.139 6.361 -7.239 1.00 0.67 H new ATOM 0 HG SER A 7 -6.517 5.631 -8.951 1.00 1.14 H new ATOM 184 N SER A 8 -6.260 6.464 -4.209 1.00 0.53 N ATOM 185 CA SER A 8 -6.589 5.476 -3.189 1.00 0.52 C ATOM 186 C SER A 8 -7.297 6.048 -1.956 1.00 0.48 C ATOM 187 O SER A 8 -7.835 5.289 -1.156 1.00 0.48 O ATOM 188 CB SER A 8 -5.354 4.680 -2.778 1.00 0.57 C ATOM 189 OG SER A 8 -4.243 5.532 -2.569 1.00 1.02 O ATOM 0 H SER A 8 -5.416 7.007 -4.025 1.00 0.53 H new ATOM 0 HA SER A 8 -7.311 4.809 -3.660 1.00 0.52 H new ATOM 0 HB2 SER A 8 -5.565 4.122 -1.866 1.00 0.57 H new ATOM 0 HB3 SER A 8 -5.115 3.949 -3.551 1.00 0.57 H new ATOM 0 HG SER A 8 -3.437 5.116 -2.941 1.00 1.02 H new ATOM 195 N LEU A 9 -7.255 7.372 -1.774 1.00 0.47 N ATOM 196 CA LEU A 9 -7.546 7.998 -0.481 1.00 0.46 C ATOM 197 C LEU A 9 -8.884 7.663 0.175 1.00 0.46 C ATOM 198 O LEU A 9 -9.023 7.674 1.394 1.00 0.42 O ATOM 199 CB LEU A 9 -7.392 9.494 -0.606 1.00 0.49 C ATOM 200 CG LEU A 9 -5.974 9.935 -0.909 1.00 0.49 C ATOM 201 CD1 LEU A 9 -5.973 11.389 -1.291 1.00 1.04 C ATOM 202 CD2 LEU A 9 -5.067 9.672 0.284 1.00 0.78 C ATOM 0 H LEU A 9 -7.020 8.035 -2.513 1.00 0.47 H new ATOM 0 HA LEU A 9 -6.815 7.560 0.199 1.00 0.46 H new ATOM 0 HB2 LEU A 9 -8.052 9.854 -1.395 1.00 0.49 H new ATOM 0 HB3 LEU A 9 -7.719 9.963 0.322 1.00 0.49 H new ATOM 0 HG LEU A 9 -5.585 9.357 -1.747 1.00 0.49 H new ATOM 0 HD11 LEU A 9 -4.954 11.707 -1.509 1.00 1.04 H new ATOM 0 HD12 LEU A 9 -6.595 11.534 -2.174 1.00 1.04 H new ATOM 0 HD13 LEU A 9 -6.370 11.982 -0.467 1.00 1.04 H new ATOM 0 HD21 LEU A 9 -4.053 9.995 0.048 1.00 0.78 H new ATOM 0 HD22 LEU A 9 -5.433 10.226 1.148 1.00 0.78 H new ATOM 0 HD23 LEU A 9 -5.065 8.606 0.511 1.00 0.78 H new ATOM 214 N ASP A 10 -9.868 7.406 -0.672 1.00 0.51 N ATOM 215 CA ASP A 10 -11.195 7.028 -0.192 1.00 0.53 C ATOM 216 C ASP A 10 -11.420 5.536 -0.346 1.00 0.54 C ATOM 217 O ASP A 10 -12.502 5.030 -0.048 1.00 0.57 O ATOM 218 CB ASP A 10 -12.282 7.794 -0.953 1.00 0.57 C ATOM 219 CG ASP A 10 -12.214 9.291 -0.720 1.00 0.78 C ATOM 220 OD1 ASP A 10 -12.807 9.769 0.270 1.00 0.77 O ATOM 221 OD2 ASP A 10 -11.565 9.998 -1.520 1.00 1.32 O ATOM 0 H ASP A 10 -9.778 7.451 -1.687 1.00 0.51 H new ATOM 0 HA ASP A 10 -11.253 7.285 0.866 1.00 0.53 H new ATOM 0 HB2 ASP A 10 -12.185 7.592 -2.020 1.00 0.57 H new ATOM 0 HB3 ASP A 10 -13.262 7.427 -0.647 1.00 0.57 H new ATOM 226 N THR A 11 -10.406 4.832 -0.806 1.00 0.54 N ATOM 227 CA THR A 11 -10.510 3.403 -0.989 1.00 0.56 C ATOM 228 C THR A 11 -9.384 2.650 -0.285 1.00 0.53 C ATOM 229 O THR A 11 -9.459 2.359 0.908 1.00 0.53 O ATOM 230 CB THR A 11 -10.538 3.028 -2.488 1.00 0.62 C ATOM 231 OG1 THR A 11 -9.435 3.644 -3.173 1.00 0.59 O ATOM 232 CG2 THR A 11 -11.842 3.465 -3.134 1.00 0.69 C ATOM 0 H THR A 11 -9.501 5.228 -1.059 1.00 0.54 H new ATOM 0 HA THR A 11 -11.453 3.101 -0.534 1.00 0.56 H new ATOM 0 HB THR A 11 -10.456 1.944 -2.565 1.00 0.62 H new ATOM 0 HG1 THR A 11 -9.461 3.399 -4.122 1.00 0.59 H new ATOM 0 HG21 THR A 11 -11.836 3.189 -4.189 1.00 0.69 H new ATOM 0 HG22 THR A 11 -12.678 2.974 -2.635 1.00 0.69 H new ATOM 0 HG23 THR A 11 -11.949 4.546 -3.042 1.00 0.69 H new ATOM 240 N HIS A 12 -8.341 2.343 -1.046 1.00 0.51 N ATOM 241 CA HIS A 12 -7.202 1.594 -0.524 1.00 0.49 C ATOM 242 C HIS A 12 -6.545 2.317 0.659 1.00 0.43 C ATOM 243 O HIS A 12 -6.191 1.684 1.652 1.00 0.43 O ATOM 244 CB HIS A 12 -6.183 1.317 -1.635 1.00 0.49 C ATOM 245 CG HIS A 12 -6.750 0.549 -2.786 1.00 0.57 C ATOM 246 ND1 HIS A 12 -7.015 1.102 -4.024 1.00 1.50 N ATOM 247 CD2 HIS A 12 -7.101 -0.743 -2.876 1.00 0.90 C ATOM 248 CE1 HIS A 12 -7.509 0.170 -4.822 1.00 1.34 C ATOM 249 NE2 HIS A 12 -7.571 -0.959 -4.147 1.00 0.66 N ATOM 0 H HIS A 12 -8.259 2.601 -2.029 1.00 0.51 H new ATOM 0 HA HIS A 12 -7.574 0.639 -0.154 1.00 0.49 H new ATOM 0 HB2 HIS A 12 -5.789 2.265 -2.000 1.00 0.49 H new ATOM 0 HB3 HIS A 12 -5.343 0.762 -1.217 1.00 0.49 H new ATOM 0 HD2 HIS A 12 -7.027 -1.480 -2.090 1.00 0.90 H new ATOM 0 HE1 HIS A 12 -7.810 0.311 -5.850 1.00 1.34 H new ATOM 0 HE2 HIS A 12 -7.913 -1.849 -4.510 1.00 0.66 H new ATOM 258 N LEU A 13 -6.380 3.629 0.561 1.00 0.40 N ATOM 259 CA LEU A 13 -5.592 4.359 1.548 1.00 0.36 C ATOM 260 C LEU A 13 -6.456 5.213 2.478 1.00 0.34 C ATOM 261 O LEU A 13 -5.997 6.189 3.069 1.00 0.32 O ATOM 262 CB LEU A 13 -4.541 5.237 0.859 1.00 0.34 C ATOM 263 CG LEU A 13 -3.171 4.572 0.632 1.00 0.38 C ATOM 264 CD1 LEU A 13 -2.587 4.082 1.947 1.00 1.13 C ATOM 265 CD2 LEU A 13 -3.271 3.418 -0.354 1.00 0.84 C ATOM 0 H LEU A 13 -6.775 4.205 -0.182 1.00 0.40 H new ATOM 0 HA LEU A 13 -5.094 3.610 2.164 1.00 0.36 H new ATOM 0 HB2 LEU A 13 -4.935 5.557 -0.106 1.00 0.34 H new ATOM 0 HB3 LEU A 13 -4.395 6.136 1.457 1.00 0.34 H new ATOM 0 HG LEU A 13 -2.507 5.326 0.209 1.00 0.38 H new ATOM 0 HD11 LEU A 13 -1.619 3.615 1.764 1.00 1.13 H new ATOM 0 HD12 LEU A 13 -2.461 4.925 2.626 1.00 1.13 H new ATOM 0 HD13 LEU A 13 -3.262 3.353 2.396 1.00 1.13 H new ATOM 0 HD21 LEU A 13 -2.287 2.971 -0.492 1.00 0.84 H new ATOM 0 HD22 LEU A 13 -3.960 2.667 0.033 1.00 0.84 H new ATOM 0 HD23 LEU A 13 -3.638 3.788 -1.311 1.00 0.84 H new ATOM 277 N LYS A 14 -7.716 4.809 2.607 1.00 0.38 N ATOM 278 CA LYS A 14 -8.691 5.559 3.385 1.00 0.38 C ATOM 279 C LYS A 14 -8.429 5.457 4.884 1.00 0.35 C ATOM 280 O LYS A 14 -8.953 6.244 5.673 1.00 0.36 O ATOM 281 CB LYS A 14 -10.114 5.095 3.067 1.00 0.45 C ATOM 282 CG LYS A 14 -10.418 3.664 3.471 1.00 0.64 C ATOM 283 CD LYS A 14 -11.888 3.338 3.258 1.00 0.67 C ATOM 284 CE LYS A 14 -12.185 1.882 3.570 1.00 1.26 C ATOM 285 NZ LYS A 14 -13.643 1.584 3.518 1.00 1.69 N ATOM 0 H LYS A 14 -8.086 3.960 2.179 1.00 0.38 H new ATOM 0 HA LYS A 14 -8.587 6.606 3.101 1.00 0.38 H new ATOM 0 HB2 LYS A 14 -10.819 5.758 3.569 1.00 0.45 H new ATOM 0 HB3 LYS A 14 -10.285 5.200 1.996 1.00 0.45 H new ATOM 0 HG2 LYS A 14 -9.802 2.979 2.888 1.00 0.64 H new ATOM 0 HG3 LYS A 14 -10.157 3.515 4.519 1.00 0.64 H new ATOM 0 HD2 LYS A 14 -12.500 3.979 3.892 1.00 0.67 H new ATOM 0 HD3 LYS A 14 -12.164 3.554 2.226 1.00 0.67 H new ATOM 0 HE2 LYS A 14 -11.660 1.245 2.859 1.00 1.26 H new ATOM 0 HE3 LYS A 14 -11.801 1.638 4.560 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 -13.800 0.580 3.737 1.00 1.69 H new ATOM 0 HZ2 LYS A 14 -14.143 2.173 4.215 1.00 1.69 H new ATOM 0 HZ3 LYS A 14 -14.006 1.791 2.566 1.00 1.69 H new ATOM 299 N TRP A 15 -7.616 4.481 5.267 1.00 0.34 N ATOM 300 CA TRP A 15 -7.277 4.273 6.672 1.00 0.33 C ATOM 301 C TRP A 15 -6.266 5.317 7.147 1.00 0.29 C ATOM 302 O TRP A 15 -5.925 5.371 8.331 1.00 0.29 O ATOM 303 CB TRP A 15 -6.704 2.868 6.879 1.00 0.35 C ATOM 304 CG TRP A 15 -5.464 2.617 6.079 1.00 0.33 C ATOM 305 CD1 TRP A 15 -5.406 2.217 4.780 1.00 0.34 C ATOM 306 CD2 TRP A 15 -4.106 2.752 6.521 1.00 0.30 C ATOM 307 NE1 TRP A 15 -4.100 2.099 4.380 1.00 0.33 N ATOM 308 CE2 TRP A 15 -3.280 2.420 5.433 1.00 0.30 C ATOM 309 CE3 TRP A 15 -3.508 3.124 7.730 1.00 0.30 C ATOM 310 CZ2 TRP A 15 -1.890 2.447 5.516 1.00 0.30 C ATOM 311 CZ3 TRP A 15 -2.129 3.150 7.811 1.00 0.30 C ATOM 312 CH2 TRP A 15 -1.333 2.815 6.710 1.00 0.30 C ATOM 0 H TRP A 15 -7.178 3.820 4.625 1.00 0.34 H new ATOM 0 HA TRP A 15 -8.190 4.378 7.259 1.00 0.33 H new ATOM 0 HB2 TRP A 15 -6.482 2.724 7.937 1.00 0.35 H new ATOM 0 HB3 TRP A 15 -7.459 2.130 6.609 1.00 0.35 H new ATOM 0 HD1 TRP A 15 -6.264 2.021 4.155 1.00 0.34 H new ATOM 0 HE1 TRP A 15 -3.788 1.818 3.450 1.00 0.33 H new ATOM 0 HE3 TRP A 15 -4.114 3.386 8.585 1.00 0.30 H new ATOM 0 HZ2 TRP A 15 -1.274 2.187 4.668 1.00 0.30 H new ATOM 0 HZ3 TRP A 15 -1.657 3.434 8.740 1.00 0.30 H new ATOM 0 HH2 TRP A 15 -0.258 2.848 6.805 1.00 0.30 H new ATOM 323 N LEU A 16 -5.793 6.150 6.229 1.00 0.28 N ATOM 324 CA LEU A 16 -4.957 7.278 6.596 1.00 0.26 C ATOM 325 C LEU A 16 -5.844 8.379 7.183 1.00 0.27 C ATOM 326 O LEU A 16 -6.999 8.552 6.790 1.00 0.31 O ATOM 327 CB LEU A 16 -4.188 7.815 5.376 1.00 0.25 C ATOM 328 CG LEU A 16 -3.159 6.862 4.742 1.00 0.26 C ATOM 329 CD1 LEU A 16 -2.653 7.431 3.427 1.00 0.26 C ATOM 330 CD2 LEU A 16 -1.979 6.614 5.672 1.00 0.30 C ATOM 0 H LEU A 16 -5.975 6.064 5.229 1.00 0.28 H new ATOM 0 HA LEU A 16 -4.225 6.953 7.335 1.00 0.26 H new ATOM 0 HB2 LEU A 16 -4.913 8.093 4.611 1.00 0.25 H new ATOM 0 HB3 LEU A 16 -3.671 8.728 5.673 1.00 0.25 H new ATOM 0 HG LEU A 16 -3.662 5.912 4.562 1.00 0.26 H new ATOM 0 HD11 LEU A 16 -1.926 6.746 2.990 1.00 0.26 H new ATOM 0 HD12 LEU A 16 -3.490 7.559 2.740 1.00 0.26 H new ATOM 0 HD13 LEU A 16 -2.180 8.396 3.606 1.00 0.26 H new ATOM 0 HD21 LEU A 16 -1.273 5.937 5.191 1.00 0.30 H new ATOM 0 HD22 LEU A 16 -1.483 7.560 5.891 1.00 0.30 H new ATOM 0 HD23 LEU A 16 -2.335 6.168 6.601 1.00 0.30 H new ATOM 342 N SER A 17 -5.273 9.105 8.124 1.00 0.27 N ATOM 343 CA SER A 17 -6.002 10.209 8.737 1.00 0.30 C ATOM 344 C SER A 17 -5.879 11.449 7.858 1.00 0.33 C ATOM 345 O SER A 17 -4.995 11.496 7.003 1.00 0.34 O ATOM 346 CB SER A 17 -5.478 10.471 10.145 1.00 0.31 C ATOM 347 OG SER A 17 -5.272 9.248 10.835 1.00 1.24 O ATOM 0 H SER A 17 -4.328 8.959 8.478 1.00 0.27 H new ATOM 0 HA SER A 17 -7.057 9.949 8.821 1.00 0.30 H new ATOM 0 HB2 SER A 17 -4.543 11.028 10.093 1.00 0.31 H new ATOM 0 HB3 SER A 17 -6.188 11.090 10.694 1.00 0.31 H new ATOM 0 HG SER A 17 -4.934 9.434 11.736 1.00 1.24 H new ATOM 353 N GLN A 18 -6.750 12.440 8.044 1.00 0.36 N ATOM 354 CA GLN A 18 -6.762 13.611 7.164 1.00 0.41 C ATOM 355 C GLN A 18 -5.383 14.264 7.135 1.00 0.41 C ATOM 356 O GLN A 18 -4.860 14.563 6.058 1.00 0.42 O ATOM 357 CB GLN A 18 -7.833 14.616 7.589 1.00 0.47 C ATOM 358 CG GLN A 18 -7.988 15.786 6.628 1.00 1.19 C ATOM 359 CD GLN A 18 -8.357 15.344 5.223 1.00 1.41 C ATOM 360 OE1 GLN A 18 -9.534 15.207 4.893 1.00 1.90 O ATOM 361 NE2 GLN A 18 -7.355 15.132 4.386 1.00 1.91 N ATOM 0 H GLN A 18 -7.449 12.458 8.786 1.00 0.36 H new ATOM 0 HA GLN A 18 -7.010 13.276 6.157 1.00 0.41 H new ATOM 0 HB2 GLN A 18 -8.789 14.100 7.677 1.00 0.47 H new ATOM 0 HB3 GLN A 18 -7.586 15.000 8.579 1.00 0.47 H new ATOM 0 HG2 GLN A 18 -8.755 16.462 7.005 1.00 1.19 H new ATOM 0 HG3 GLN A 18 -7.056 16.349 6.594 1.00 1.19 H new ATOM 0 HE21 GLN A 18 -6.393 15.257 4.700 1.00 1.91 H new ATOM 0 HE22 GLN A 18 -7.545 14.843 3.426 1.00 1.91 H new ATOM 370 N GLU A 19 -4.806 14.481 8.313 1.00 0.41 N ATOM 371 CA GLU A 19 -3.495 15.080 8.419 1.00 0.42 C ATOM 372 C GLU A 19 -2.467 14.260 7.646 1.00 0.40 C ATOM 373 O GLU A 19 -1.560 14.819 7.030 1.00 0.42 O ATOM 374 CB GLU A 19 -3.108 15.187 9.882 1.00 0.41 C ATOM 375 CG GLU A 19 -3.926 16.197 10.663 1.00 1.18 C ATOM 376 CD GLU A 19 -3.458 16.328 12.094 1.00 1.79 C ATOM 377 OE1 GLU A 19 -2.496 17.088 12.338 1.00 2.01 O ATOM 378 OE2 GLU A 19 -4.042 15.670 12.982 1.00 2.49 O ATOM 0 H GLU A 19 -5.235 14.247 9.208 1.00 0.41 H new ATOM 0 HA GLU A 19 -3.520 16.079 7.984 1.00 0.42 H new ATOM 0 HB2 GLU A 19 -3.216 14.208 10.349 1.00 0.41 H new ATOM 0 HB3 GLU A 19 -2.054 15.458 9.950 1.00 0.41 H new ATOM 0 HG2 GLU A 19 -3.865 17.168 10.172 1.00 1.18 H new ATOM 0 HG3 GLU A 19 -4.975 15.899 10.651 1.00 1.18 H new ATOM 385 N GLN A 20 -2.617 12.941 7.666 1.00 0.37 N ATOM 386 CA GLN A 20 -1.694 12.059 6.962 1.00 0.36 C ATOM 387 C GLN A 20 -1.938 12.175 5.465 1.00 0.38 C ATOM 388 O GLN A 20 -1.005 12.322 4.695 1.00 0.41 O ATOM 389 CB GLN A 20 -1.871 10.607 7.418 1.00 0.33 C ATOM 390 CG GLN A 20 -2.056 10.455 8.920 1.00 0.37 C ATOM 391 CD GLN A 20 -0.910 11.027 9.730 1.00 0.77 C ATOM 392 OE1 GLN A 20 -0.906 12.208 10.078 1.00 1.57 O ATOM 393 NE2 GLN A 20 0.049 10.188 10.069 1.00 1.04 N ATOM 0 H GLN A 20 -3.368 12.459 8.161 1.00 0.37 H new ATOM 0 HA GLN A 20 -0.671 12.359 7.191 1.00 0.36 H new ATOM 0 HB2 GLN A 20 -2.735 10.179 6.909 1.00 0.33 H new ATOM 0 HB3 GLN A 20 -1.000 10.030 7.108 1.00 0.33 H new ATOM 0 HG2 GLN A 20 -2.982 10.948 9.216 1.00 0.37 H new ATOM 0 HG3 GLN A 20 -2.168 9.397 9.159 1.00 0.37 H new ATOM 0 HE21 GLN A 20 0.009 9.217 9.761 1.00 1.04 H new ATOM 0 HE22 GLN A 20 0.831 10.510 10.640 1.00 1.04 H new ATOM 402 N LYS A 21 -3.199 12.120 5.057 1.00 0.38 N ATOM 403 CA LYS A 21 -3.548 12.255 3.646 1.00 0.42 C ATOM 404 C LYS A 21 -2.979 13.553 3.086 1.00 0.42 C ATOM 405 O LYS A 21 -2.344 13.563 2.037 1.00 0.43 O ATOM 406 CB LYS A 21 -5.065 12.224 3.461 1.00 0.47 C ATOM 407 CG LYS A 21 -5.696 10.895 3.831 1.00 0.56 C ATOM 408 CD LYS A 21 -7.200 10.919 3.615 1.00 0.54 C ATOM 409 CE LYS A 21 -7.815 9.549 3.848 1.00 0.57 C ATOM 410 NZ LYS A 21 -9.293 9.575 3.694 1.00 0.95 N ATOM 0 H LYS A 21 -3.996 11.983 5.679 1.00 0.38 H new ATOM 0 HA LYS A 21 -3.116 11.415 3.102 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -5.513 13.011 4.068 1.00 0.47 H new ATOM 0 HB3 LYS A 21 -5.300 12.451 2.421 1.00 0.47 H new ATOM 0 HG2 LYS A 21 -5.253 10.100 3.231 1.00 0.56 H new ATOM 0 HG3 LYS A 21 -5.480 10.665 4.874 1.00 0.56 H new ATOM 0 HD2 LYS A 21 -7.655 11.643 4.291 1.00 0.54 H new ATOM 0 HD3 LYS A 21 -7.418 11.250 2.600 1.00 0.54 H new ATOM 0 HE2 LYS A 21 -7.389 8.834 3.144 1.00 0.57 H new ATOM 0 HE3 LYS A 21 -7.560 9.201 4.849 1.00 0.57 H new ATOM 0 HZ1 LYS A 21 -9.739 9.215 4.562 1.00 0.95 H new ATOM 0 HZ2 LYS A 21 -9.607 10.552 3.523 1.00 0.95 H new ATOM 0 HZ3 LYS A 21 -9.569 8.976 2.890 1.00 0.95 H new ATOM 424 N ASP A 22 -3.190 14.637 3.820 1.00 0.44 N ATOM 425 CA ASP A 22 -2.665 15.945 3.442 1.00 0.46 C ATOM 426 C ASP A 22 -1.141 15.968 3.524 1.00 0.46 C ATOM 427 O ASP A 22 -0.496 16.686 2.759 1.00 0.48 O ATOM 428 CB ASP A 22 -3.230 17.016 4.376 1.00 0.49 C ATOM 429 CG ASP A 22 -2.865 18.417 3.925 1.00 0.58 C ATOM 430 OD1 ASP A 22 -3.444 18.897 2.925 1.00 0.67 O ATOM 431 OD2 ASP A 22 -1.998 19.044 4.568 1.00 0.64 O ATOM 0 H ASP A 22 -3.726 14.637 4.688 1.00 0.44 H new ATOM 0 HA ASP A 22 -2.965 16.147 2.414 1.00 0.46 H new ATOM 0 HB2 ASP A 22 -4.315 16.921 4.421 1.00 0.49 H new ATOM 0 HB3 ASP A 22 -2.854 16.851 5.386 1.00 0.49 H new ATOM 436 N GLU A 23 -0.559 15.191 4.427 1.00 0.44 N ATOM 437 CA GLU A 23 0.873 14.994 4.447 1.00 0.45 C ATOM 438 C GLU A 23 1.348 14.327 3.158 1.00 0.42 C ATOM 439 O GLU A 23 2.255 14.831 2.495 1.00 0.44 O ATOM 440 CB GLU A 23 1.264 14.141 5.647 1.00 0.47 C ATOM 441 CG GLU A 23 2.568 14.583 6.245 1.00 0.71 C ATOM 442 CD GLU A 23 2.996 13.761 7.441 1.00 0.97 C ATOM 443 OE1 GLU A 23 2.479 14.007 8.550 1.00 1.43 O ATOM 444 OE2 GLU A 23 3.873 12.884 7.287 1.00 1.40 O ATOM 0 H GLU A 23 -1.064 14.687 5.156 1.00 0.44 H new ATOM 0 HA GLU A 23 1.352 15.970 4.527 1.00 0.45 H new ATOM 0 HB2 GLU A 23 0.480 14.196 6.403 1.00 0.47 H new ATOM 0 HB3 GLU A 23 1.339 13.097 5.342 1.00 0.47 H new ATOM 0 HG2 GLU A 23 3.344 14.530 5.482 1.00 0.71 H new ATOM 0 HG3 GLU A 23 2.485 15.628 6.544 1.00 0.71 H new ATOM 451 N LEU A 24 0.733 13.207 2.797 1.00 0.40 N ATOM 452 CA LEU A 24 1.079 12.476 1.584 1.00 0.39 C ATOM 453 C LEU A 24 0.852 13.356 0.353 1.00 0.39 C ATOM 454 O LEU A 24 1.664 13.367 -0.575 1.00 0.41 O ATOM 455 CB LEU A 24 0.221 11.205 1.479 1.00 0.38 C ATOM 456 CG LEU A 24 0.600 10.011 2.384 1.00 0.50 C ATOM 457 CD1 LEU A 24 1.726 9.191 1.789 1.00 1.16 C ATOM 458 CD2 LEU A 24 0.991 10.445 3.780 1.00 1.33 C ATOM 0 H LEU A 24 -0.020 12.780 3.337 1.00 0.40 H new ATOM 0 HA LEU A 24 2.132 12.198 1.630 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -0.812 11.477 1.697 1.00 0.38 H new ATOM 0 HB3 LEU A 24 0.249 10.865 0.444 1.00 0.38 H new ATOM 0 HG LEU A 24 -0.298 9.396 2.450 1.00 0.50 H new ATOM 0 HD11 LEU A 24 1.963 8.361 2.455 1.00 1.16 H new ATOM 0 HD12 LEU A 24 1.419 8.801 0.819 1.00 1.16 H new ATOM 0 HD13 LEU A 24 2.608 9.820 1.665 1.00 1.16 H new ATOM 0 HD21 LEU A 24 1.248 9.569 4.375 1.00 1.33 H new ATOM 0 HD22 LEU A 24 1.851 11.112 3.726 1.00 1.33 H new ATOM 0 HD23 LEU A 24 0.156 10.968 4.246 1.00 1.33 H new ATOM 470 N LEU A 25 -0.258 14.097 0.358 1.00 0.40 N ATOM 471 CA LEU A 25 -0.580 15.023 -0.721 1.00 0.43 C ATOM 472 C LEU A 25 0.487 16.102 -0.840 1.00 0.46 C ATOM 473 O LEU A 25 0.903 16.453 -1.944 1.00 0.48 O ATOM 474 CB LEU A 25 -1.947 15.671 -0.486 1.00 0.45 C ATOM 475 CG LEU A 25 -3.143 14.724 -0.584 1.00 0.49 C ATOM 476 CD1 LEU A 25 -4.440 15.475 -0.328 1.00 1.02 C ATOM 477 CD2 LEU A 25 -3.179 14.053 -1.947 1.00 1.06 C ATOM 0 H LEU A 25 -0.952 14.070 1.105 1.00 0.40 H new ATOM 0 HA LEU A 25 -0.613 14.456 -1.651 1.00 0.43 H new ATOM 0 HB2 LEU A 25 -1.948 16.130 0.502 1.00 0.45 H new ATOM 0 HB3 LEU A 25 -2.080 16.474 -1.211 1.00 0.45 H new ATOM 0 HG LEU A 25 -3.035 13.953 0.179 1.00 0.49 H new ATOM 0 HD11 LEU A 25 -5.281 14.785 -0.402 1.00 1.02 H new ATOM 0 HD12 LEU A 25 -4.416 15.912 0.670 1.00 1.02 H new ATOM 0 HD13 LEU A 25 -4.554 16.267 -1.068 1.00 1.02 H new ATOM 0 HD21 LEU A 25 -4.037 13.382 -2.000 1.00 1.06 H new ATOM 0 HD22 LEU A 25 -3.264 14.812 -2.724 1.00 1.06 H new ATOM 0 HD23 LEU A 25 -2.262 13.482 -2.096 1.00 1.06 H new ATOM 489 N LYS A 26 0.937 16.606 0.303 1.00 0.47 N ATOM 490 CA LYS A 26 1.968 17.631 0.346 1.00 0.51 C ATOM 491 C LYS A 26 3.273 17.085 -0.204 1.00 0.49 C ATOM 492 O LYS A 26 3.971 17.762 -0.957 1.00 0.51 O ATOM 493 CB LYS A 26 2.172 18.130 1.782 1.00 0.56 C ATOM 494 CG LYS A 26 3.277 19.170 1.926 1.00 0.93 C ATOM 495 CD LYS A 26 2.997 20.410 1.093 1.00 1.62 C ATOM 496 CE LYS A 26 4.133 21.415 1.186 1.00 2.50 C ATOM 497 NZ LYS A 26 3.876 22.622 0.356 1.00 3.24 N ATOM 0 H LYS A 26 0.598 16.316 1.221 1.00 0.47 H new ATOM 0 HA LYS A 26 1.646 18.470 -0.271 1.00 0.51 H new ATOM 0 HB2 LYS A 26 1.236 18.556 2.144 1.00 0.56 H new ATOM 0 HB3 LYS A 26 2.403 17.279 2.422 1.00 0.56 H new ATOM 0 HG2 LYS A 26 3.377 19.451 2.974 1.00 0.93 H new ATOM 0 HG3 LYS A 26 4.228 18.734 1.621 1.00 0.93 H new ATOM 0 HD2 LYS A 26 2.848 20.124 0.052 1.00 1.62 H new ATOM 0 HD3 LYS A 26 2.071 20.875 1.431 1.00 1.62 H new ATOM 0 HE2 LYS A 26 4.270 21.712 2.226 1.00 2.50 H new ATOM 0 HE3 LYS A 26 5.062 20.944 0.864 1.00 2.50 H new ATOM 0 HZ1 LYS A 26 4.674 23.282 0.447 1.00 3.24 H new ATOM 0 HZ2 LYS A 26 3.770 22.342 -0.640 1.00 3.24 H new ATOM 0 HZ3 LYS A 26 3.004 23.087 0.680 1.00 3.24 H new ATOM 511 N MET A 27 3.596 15.857 0.172 1.00 0.47 N ATOM 512 CA MET A 27 4.777 15.199 -0.356 1.00 0.47 C ATOM 513 C MET A 27 4.725 15.078 -1.873 1.00 0.47 C ATOM 514 O MET A 27 5.628 15.544 -2.568 1.00 0.49 O ATOM 515 CB MET A 27 4.965 13.813 0.265 1.00 0.49 C ATOM 516 CG MET A 27 5.237 13.835 1.758 1.00 0.50 C ATOM 517 SD MET A 27 6.527 12.666 2.240 1.00 0.92 S ATOM 518 CE MET A 27 5.872 11.141 1.569 1.00 0.79 C ATOM 0 H MET A 27 3.059 15.300 0.837 1.00 0.47 H new ATOM 0 HA MET A 27 5.629 15.824 -0.090 1.00 0.47 H new ATOM 0 HB2 MET A 27 4.071 13.219 0.078 1.00 0.49 H new ATOM 0 HB3 MET A 27 5.792 13.311 -0.237 1.00 0.49 H new ATOM 0 HG2 MET A 27 5.532 14.841 2.056 1.00 0.50 H new ATOM 0 HG3 MET A 27 4.318 13.600 2.295 1.00 0.50 H new ATOM 0 HE1 MET A 27 6.513 10.310 1.862 1.00 0.79 H new ATOM 0 HE2 MET A 27 4.866 10.977 1.954 1.00 0.79 H new ATOM 0 HE3 MET A 27 5.838 11.207 0.482 1.00 0.79 H new ATOM 528 N LYS A 28 3.656 14.478 -2.386 1.00 0.45 N ATOM 529 CA LYS A 28 3.482 14.307 -3.824 1.00 0.49 C ATOM 530 C LYS A 28 3.491 15.656 -4.543 1.00 0.54 C ATOM 531 O LYS A 28 4.096 15.806 -5.607 1.00 0.58 O ATOM 532 CB LYS A 28 2.166 13.569 -4.091 1.00 0.50 C ATOM 533 CG LYS A 28 1.787 13.482 -5.559 1.00 0.79 C ATOM 534 CD LYS A 28 0.500 12.700 -5.754 1.00 1.41 C ATOM 535 CE LYS A 28 0.003 12.799 -7.186 1.00 1.82 C ATOM 536 NZ LYS A 28 -0.504 14.163 -7.503 1.00 2.44 N ATOM 0 H LYS A 28 2.893 14.100 -1.824 1.00 0.45 H new ATOM 0 HA LYS A 28 4.314 13.719 -4.211 1.00 0.49 H new ATOM 0 HB2 LYS A 28 2.240 12.560 -3.686 1.00 0.50 H new ATOM 0 HB3 LYS A 28 1.364 14.072 -3.550 1.00 0.50 H new ATOM 0 HG2 LYS A 28 1.669 14.486 -5.966 1.00 0.79 H new ATOM 0 HG3 LYS A 28 2.593 13.004 -6.117 1.00 0.79 H new ATOM 0 HD2 LYS A 28 0.665 11.654 -5.496 1.00 1.41 H new ATOM 0 HD3 LYS A 28 -0.264 13.079 -5.075 1.00 1.41 H new ATOM 0 HE2 LYS A 28 0.813 12.544 -7.870 1.00 1.82 H new ATOM 0 HE3 LYS A 28 -0.791 12.070 -7.346 1.00 1.82 H new ATOM 0 HZ1 LYS A 28 -1.521 14.115 -7.713 1.00 2.44 H new ATOM 0 HZ2 LYS A 28 -0.348 14.789 -6.688 1.00 2.44 H new ATOM 0 HZ3 LYS A 28 0.003 14.538 -8.330 1.00 2.44 H new ATOM 550 N LYS A 29 2.843 16.639 -3.932 1.00 0.55 N ATOM 551 CA LYS A 29 2.773 17.986 -4.484 1.00 0.62 C ATOM 552 C LYS A 29 4.160 18.617 -4.554 1.00 0.64 C ATOM 553 O LYS A 29 4.538 19.197 -5.573 1.00 0.72 O ATOM 554 CB LYS A 29 1.833 18.851 -3.626 1.00 0.62 C ATOM 555 CG LYS A 29 1.365 20.146 -4.285 1.00 1.13 C ATOM 556 CD LYS A 29 2.452 21.209 -4.329 1.00 1.57 C ATOM 557 CE LYS A 29 1.965 22.475 -5.012 1.00 2.08 C ATOM 558 NZ LYS A 29 1.524 22.219 -6.408 1.00 2.69 N ATOM 0 H LYS A 29 2.353 16.527 -3.044 1.00 0.55 H new ATOM 0 HA LYS A 29 2.378 17.927 -5.498 1.00 0.62 H new ATOM 0 HB2 LYS A 29 0.957 18.258 -3.363 1.00 0.62 H new ATOM 0 HB3 LYS A 29 2.341 19.099 -2.694 1.00 0.62 H new ATOM 0 HG2 LYS A 29 1.031 19.932 -5.300 1.00 1.13 H new ATOM 0 HG3 LYS A 29 0.504 20.535 -3.741 1.00 1.13 H new ATOM 0 HD2 LYS A 29 2.775 21.443 -3.315 1.00 1.57 H new ATOM 0 HD3 LYS A 29 3.322 20.820 -4.859 1.00 1.57 H new ATOM 0 HE2 LYS A 29 1.138 22.899 -4.442 1.00 2.08 H new ATOM 0 HE3 LYS A 29 2.764 23.216 -5.014 1.00 2.08 H new ATOM 0 HZ1 LYS A 29 1.442 23.122 -6.917 1.00 2.69 H new ATOM 0 HZ2 LYS A 29 2.221 21.613 -6.887 1.00 2.69 H new ATOM 0 HZ3 LYS A 29 0.600 21.742 -6.398 1.00 2.69 H new ATOM 572 N ASP A 30 4.922 18.489 -3.478 1.00 0.62 N ATOM 573 CA ASP A 30 6.202 19.184 -3.359 1.00 0.66 C ATOM 574 C ASP A 30 7.313 18.442 -4.105 1.00 0.65 C ATOM 575 O ASP A 30 8.465 18.877 -4.153 1.00 0.69 O ATOM 576 CB ASP A 30 6.562 19.361 -1.880 1.00 0.67 C ATOM 577 CG ASP A 30 7.712 20.322 -1.657 1.00 1.33 C ATOM 578 OD1 ASP A 30 7.528 21.538 -1.873 1.00 1.32 O ATOM 579 OD2 ASP A 30 8.812 19.862 -1.292 1.00 2.14 O ATOM 0 H ASP A 30 4.679 17.911 -2.673 1.00 0.62 H new ATOM 0 HA ASP A 30 6.103 20.167 -3.820 1.00 0.66 H new ATOM 0 HB2 ASP A 30 5.686 19.721 -1.340 1.00 0.67 H new ATOM 0 HB3 ASP A 30 6.821 18.390 -1.457 1.00 0.67 H new ATOM 584 N GLY A 31 6.932 17.331 -4.716 1.00 0.62 N ATOM 585 CA GLY A 31 7.840 16.621 -5.590 1.00 0.62 C ATOM 586 C GLY A 31 8.602 15.525 -4.891 1.00 0.61 C ATOM 587 O GLY A 31 9.691 15.143 -5.324 1.00 0.63 O ATOM 0 H GLY A 31 6.009 16.908 -4.622 1.00 0.62 H new ATOM 0 HA2 GLY A 31 7.276 16.191 -6.418 1.00 0.62 H new ATOM 0 HA3 GLY A 31 8.548 17.329 -6.020 1.00 0.62 H new ATOM 591 N LYS A 32 8.049 15.028 -3.799 1.00 0.59 N ATOM 592 CA LYS A 32 8.590 13.851 -3.157 1.00 0.58 C ATOM 593 C LYS A 32 8.366 12.656 -4.071 1.00 0.56 C ATOM 594 O LYS A 32 7.285 12.488 -4.633 1.00 0.55 O ATOM 595 CB LYS A 32 7.934 13.626 -1.795 1.00 0.57 C ATOM 596 CG LYS A 32 8.240 14.724 -0.781 1.00 0.63 C ATOM 597 CD LYS A 32 9.654 14.620 -0.234 1.00 0.76 C ATOM 598 CE LYS A 32 9.792 13.448 0.725 1.00 1.15 C ATOM 599 NZ LYS A 32 11.175 13.320 1.252 1.00 1.65 N ATOM 0 H LYS A 32 7.227 15.423 -3.342 1.00 0.59 H new ATOM 0 HA LYS A 32 9.658 13.984 -2.984 1.00 0.58 H new ATOM 0 HB2 LYS A 32 6.854 13.557 -1.928 1.00 0.57 H new ATOM 0 HB3 LYS A 32 8.268 12.669 -1.394 1.00 0.57 H new ATOM 0 HG2 LYS A 32 8.104 15.698 -1.250 1.00 0.63 H new ATOM 0 HG3 LYS A 32 7.528 14.665 0.042 1.00 0.63 H new ATOM 0 HD2 LYS A 32 10.357 14.502 -1.059 1.00 0.76 H new ATOM 0 HD3 LYS A 32 9.916 15.545 0.279 1.00 0.76 H new ATOM 0 HE2 LYS A 32 9.098 13.576 1.556 1.00 1.15 H new ATOM 0 HE3 LYS A 32 9.512 12.527 0.214 1.00 1.15 H new ATOM 0 HZ1 LYS A 32 11.142 13.170 2.281 1.00 1.65 H new ATOM 0 HZ2 LYS A 32 11.646 12.511 0.799 1.00 1.65 H new ATOM 0 HZ3 LYS A 32 11.707 14.190 1.046 1.00 1.65 H new ATOM 613 N ALA A 33 9.382 11.838 -4.202 1.00 0.56 N ATOM 614 CA ALA A 33 9.364 10.725 -5.140 1.00 0.55 C ATOM 615 C ALA A 33 8.383 9.662 -4.680 1.00 0.52 C ATOM 616 O ALA A 33 8.130 9.550 -3.487 1.00 0.50 O ATOM 617 CB ALA A 33 10.756 10.136 -5.288 1.00 0.59 C ATOM 0 H ALA A 33 10.246 11.919 -3.666 1.00 0.56 H new ATOM 0 HA ALA A 33 9.041 11.095 -6.113 1.00 0.55 H new ATOM 0 HB1 ALA A 33 10.726 9.305 -5.993 1.00 0.59 H new ATOM 0 HB2 ALA A 33 11.438 10.902 -5.659 1.00 0.59 H new ATOM 0 HB3 ALA A 33 11.105 9.778 -4.319 1.00 0.59 H new ATOM 623 N LYS A 34 7.832 8.884 -5.602 1.00 0.53 N ATOM 624 CA LYS A 34 6.859 7.855 -5.240 1.00 0.51 C ATOM 625 C LYS A 34 7.416 6.932 -4.157 1.00 0.51 C ATOM 626 O LYS A 34 6.695 6.523 -3.249 1.00 0.48 O ATOM 627 CB LYS A 34 6.441 7.041 -6.467 1.00 0.56 C ATOM 628 CG LYS A 34 5.580 7.820 -7.450 1.00 1.21 C ATOM 629 CD LYS A 34 5.110 6.942 -8.600 1.00 1.64 C ATOM 630 CE LYS A 34 4.155 7.685 -9.528 1.00 2.21 C ATOM 631 NZ LYS A 34 4.789 8.875 -10.157 1.00 2.97 N ATOM 0 H LYS A 34 8.038 8.942 -6.599 1.00 0.53 H new ATOM 0 HA LYS A 34 5.977 8.358 -4.843 1.00 0.51 H new ATOM 0 HB2 LYS A 34 7.335 6.688 -6.981 1.00 0.56 H new ATOM 0 HB3 LYS A 34 5.893 6.158 -6.138 1.00 0.56 H new ATOM 0 HG2 LYS A 34 4.716 8.233 -6.930 1.00 1.21 H new ATOM 0 HG3 LYS A 34 6.148 8.663 -7.844 1.00 1.21 H new ATOM 0 HD2 LYS A 34 5.973 6.596 -9.169 1.00 1.64 H new ATOM 0 HD3 LYS A 34 4.614 6.057 -8.202 1.00 1.64 H new ATOM 0 HE2 LYS A 34 3.808 7.007 -10.307 1.00 2.21 H new ATOM 0 HE3 LYS A 34 3.276 7.999 -8.965 1.00 2.21 H new ATOM 0 HZ1 LYS A 34 4.144 9.278 -10.866 1.00 2.97 H new ATOM 0 HZ2 LYS A 34 4.990 9.588 -9.427 1.00 2.97 H new ATOM 0 HZ3 LYS A 34 5.677 8.592 -10.618 1.00 2.97 H new ATOM 645 N LYS A 35 8.704 6.623 -4.239 1.00 0.54 N ATOM 646 CA LYS A 35 9.350 5.780 -3.234 1.00 0.56 C ATOM 647 C LYS A 35 9.382 6.454 -1.857 1.00 0.53 C ATOM 648 O LYS A 35 9.658 5.800 -0.851 1.00 0.55 O ATOM 649 CB LYS A 35 10.768 5.408 -3.671 1.00 0.61 C ATOM 650 CG LYS A 35 10.814 4.599 -4.962 1.00 1.17 C ATOM 651 CD LYS A 35 9.973 3.331 -4.874 1.00 1.56 C ATOM 652 CE LYS A 35 10.509 2.361 -3.831 1.00 2.18 C ATOM 653 NZ LYS A 35 11.868 1.870 -4.175 1.00 2.82 N ATOM 0 H LYS A 35 9.322 6.940 -4.986 1.00 0.54 H new ATOM 0 HA LYS A 35 8.755 4.871 -3.146 1.00 0.56 H new ATOM 0 HB2 LYS A 35 11.350 6.320 -3.802 1.00 0.61 H new ATOM 0 HB3 LYS A 35 11.246 4.836 -2.876 1.00 0.61 H new ATOM 0 HG2 LYS A 35 10.456 5.214 -5.788 1.00 1.17 H new ATOM 0 HG3 LYS A 35 11.847 4.334 -5.186 1.00 1.17 H new ATOM 0 HD2 LYS A 35 8.944 3.595 -4.629 1.00 1.56 H new ATOM 0 HD3 LYS A 35 9.953 2.841 -5.848 1.00 1.56 H new ATOM 0 HE2 LYS A 35 10.536 2.853 -2.859 1.00 2.18 H new ATOM 0 HE3 LYS A 35 9.829 1.514 -3.741 1.00 2.18 H new ATOM 0 HZ1 LYS A 35 12.120 1.079 -3.548 1.00 2.82 H new ATOM 0 HZ2 LYS A 35 11.880 1.546 -5.163 1.00 2.82 H new ATOM 0 HZ3 LYS A 35 12.556 2.640 -4.054 1.00 2.82 H new ATOM 667 N GLU A 36 9.098 7.752 -1.803 1.00 0.51 N ATOM 668 CA GLU A 36 9.050 8.475 -0.539 1.00 0.50 C ATOM 669 C GLU A 36 7.636 8.432 0.047 1.00 0.44 C ATOM 670 O GLU A 36 7.419 8.509 1.255 1.00 0.45 O ATOM 671 CB GLU A 36 9.532 9.913 -0.732 1.00 0.53 C ATOM 672 CG GLU A 36 10.885 9.980 -1.418 1.00 0.61 C ATOM 673 CD GLU A 36 11.498 11.367 -1.417 1.00 0.68 C ATOM 674 OE1 GLU A 36 11.187 12.155 -2.329 1.00 0.66 O ATOM 675 OE2 GLU A 36 12.291 11.682 -0.510 1.00 0.85 O ATOM 0 H GLU A 36 8.897 8.325 -2.623 1.00 0.51 H new ATOM 0 HA GLU A 36 9.719 7.991 0.172 1.00 0.50 H new ATOM 0 HB2 GLU A 36 8.800 10.463 -1.323 1.00 0.53 H new ATOM 0 HB3 GLU A 36 9.594 10.406 0.238 1.00 0.53 H new ATOM 0 HG2 GLU A 36 11.568 9.290 -0.924 1.00 0.61 H new ATOM 0 HG3 GLU A 36 10.778 9.640 -2.448 1.00 0.61 H new ATOM 682 N LEU A 37 6.695 8.251 -0.877 1.00 0.39 N ATOM 683 CA LEU A 37 5.324 7.955 -0.523 1.00 0.36 C ATOM 684 C LEU A 37 5.216 6.517 -0.027 1.00 0.36 C ATOM 685 O LEU A 37 4.569 6.240 0.985 1.00 0.35 O ATOM 686 CB LEU A 37 4.446 8.159 -1.751 1.00 0.37 C ATOM 687 CG LEU A 37 4.246 9.608 -2.221 1.00 0.41 C ATOM 688 CD1 LEU A 37 3.315 10.344 -1.283 1.00 1.22 C ATOM 689 CD2 LEU A 37 5.547 10.384 -2.347 1.00 1.01 C ATOM 0 H LEU A 37 6.867 8.306 -1.881 1.00 0.39 H new ATOM 0 HA LEU A 37 4.993 8.620 0.275 1.00 0.36 H new ATOM 0 HB2 LEU A 37 4.876 7.590 -2.575 1.00 0.37 H new ATOM 0 HB3 LEU A 37 3.466 7.730 -1.544 1.00 0.37 H new ATOM 0 HG LEU A 37 3.808 9.544 -3.217 1.00 0.41 H new ATOM 0 HD11 LEU A 37 3.184 11.369 -1.630 1.00 1.22 H new ATOM 0 HD12 LEU A 37 2.348 9.842 -1.262 1.00 1.22 H new ATOM 0 HD13 LEU A 37 3.741 10.353 -0.280 1.00 1.22 H new ATOM 0 HD21 LEU A 37 5.334 11.399 -2.683 1.00 1.01 H new ATOM 0 HD22 LEU A 37 6.045 10.419 -1.378 1.00 1.01 H new ATOM 0 HD23 LEU A 37 6.196 9.891 -3.071 1.00 1.01 H new ATOM 701 N GLU A 38 5.890 5.623 -0.746 1.00 0.39 N ATOM 702 CA GLU A 38 5.971 4.206 -0.390 1.00 0.43 C ATOM 703 C GLU A 38 6.579 4.040 1.002 1.00 0.43 C ATOM 704 O GLU A 38 6.339 3.060 1.693 1.00 0.45 O ATOM 705 CB GLU A 38 6.836 3.475 -1.429 1.00 0.57 C ATOM 706 CG GLU A 38 7.064 2.000 -1.133 1.00 1.35 C ATOM 707 CD GLU A 38 5.848 1.141 -1.406 1.00 2.06 C ATOM 708 OE1 GLU A 38 4.844 1.272 -0.680 1.00 2.72 O ATOM 709 OE2 GLU A 38 5.908 0.320 -2.348 1.00 2.49 O ATOM 0 H GLU A 38 6.399 5.861 -1.597 1.00 0.39 H new ATOM 0 HA GLU A 38 4.968 3.780 -0.381 1.00 0.43 H new ATOM 0 HB2 GLU A 38 6.363 3.568 -2.407 1.00 0.57 H new ATOM 0 HB3 GLU A 38 7.803 3.974 -1.494 1.00 0.57 H new ATOM 0 HG2 GLU A 38 7.898 1.640 -1.736 1.00 1.35 H new ATOM 0 HG3 GLU A 38 7.354 1.886 -0.088 1.00 1.35 H new ATOM 716 N ALA A 39 7.328 5.039 1.419 1.00 0.43 N ATOM 717 CA ALA A 39 8.037 4.992 2.684 1.00 0.45 C ATOM 718 C ALA A 39 7.233 5.539 3.849 1.00 0.42 C ATOM 719 O ALA A 39 7.228 4.974 4.945 1.00 0.44 O ATOM 720 CB ALA A 39 9.355 5.739 2.566 1.00 0.49 C ATOM 0 H ALA A 39 7.463 5.903 0.895 1.00 0.43 H new ATOM 0 HA ALA A 39 8.217 3.939 2.900 1.00 0.45 H new ATOM 0 HB1 ALA A 39 9.882 5.700 3.519 1.00 0.49 H new ATOM 0 HB2 ALA A 39 9.968 5.275 1.793 1.00 0.49 H new ATOM 0 HB3 ALA A 39 9.162 6.778 2.301 1.00 0.49 H new ATOM 726 N LYS A 40 6.541 6.639 3.591 1.00 0.39 N ATOM 727 CA LYS A 40 5.686 7.268 4.582 1.00 0.37 C ATOM 728 C LYS A 40 4.564 6.323 5.008 1.00 0.31 C ATOM 729 O LYS A 40 4.314 6.140 6.201 1.00 0.31 O ATOM 730 CB LYS A 40 5.101 8.558 4.007 1.00 0.41 C ATOM 731 CG LYS A 40 4.369 9.407 5.031 1.00 0.79 C ATOM 732 CD LYS A 40 5.299 9.869 6.144 1.00 0.64 C ATOM 733 CE LYS A 40 6.334 10.865 5.644 1.00 0.74 C ATOM 734 NZ LYS A 40 7.297 11.250 6.710 1.00 1.34 N ATOM 0 H LYS A 40 6.557 7.118 2.691 1.00 0.39 H new ATOM 0 HA LYS A 40 6.283 7.503 5.463 1.00 0.37 H new ATOM 0 HB2 LYS A 40 5.906 9.148 3.568 1.00 0.41 H new ATOM 0 HB3 LYS A 40 4.414 8.306 3.199 1.00 0.41 H new ATOM 0 HG2 LYS A 40 3.931 10.275 4.538 1.00 0.79 H new ATOM 0 HG3 LYS A 40 3.546 8.834 5.458 1.00 0.79 H new ATOM 0 HD2 LYS A 40 4.712 10.325 6.941 1.00 0.64 H new ATOM 0 HD3 LYS A 40 5.805 9.006 6.575 1.00 0.64 H new ATOM 0 HE2 LYS A 40 6.877 10.432 4.804 1.00 0.74 H new ATOM 0 HE3 LYS A 40 5.829 11.757 5.272 1.00 0.74 H new ATOM 0 HZ1 LYS A 40 7.985 11.930 6.327 1.00 1.34 H new ATOM 0 HZ2 LYS A 40 6.783 11.686 7.502 1.00 1.34 H new ATOM 0 HZ3 LYS A 40 7.798 10.403 7.048 1.00 1.34 H new ATOM 748 N ILE A 41 3.900 5.718 4.026 1.00 0.29 N ATOM 749 CA ILE A 41 2.797 4.811 4.291 1.00 0.26 C ATOM 750 C ILE A 41 3.271 3.577 5.051 1.00 0.27 C ATOM 751 O ILE A 41 2.620 3.138 5.995 1.00 0.27 O ATOM 752 CB ILE A 41 2.123 4.384 2.976 1.00 0.29 C ATOM 753 CG1 ILE A 41 1.586 5.614 2.251 1.00 0.33 C ATOM 754 CG2 ILE A 41 1.009 3.389 3.245 1.00 0.33 C ATOM 755 CD1 ILE A 41 1.060 5.320 0.869 1.00 0.39 C ATOM 0 H ILE A 41 4.112 5.843 3.036 1.00 0.29 H new ATOM 0 HA ILE A 41 2.072 5.341 4.909 1.00 0.26 H new ATOM 0 HB ILE A 41 2.862 3.895 2.341 1.00 0.29 H new ATOM 0 HG12 ILE A 41 0.788 6.057 2.847 1.00 0.33 H new ATOM 0 HG13 ILE A 41 2.380 6.357 2.178 1.00 0.33 H new ATOM 0 HG21 ILE A 41 0.545 3.099 2.302 1.00 0.33 H new ATOM 0 HG22 ILE A 41 1.420 2.506 3.734 1.00 0.33 H new ATOM 0 HG23 ILE A 41 0.261 3.847 3.892 1.00 0.33 H new ATOM 0 HD11 ILE A 41 0.695 6.241 0.415 1.00 0.39 H new ATOM 0 HD12 ILE A 41 1.860 4.905 0.256 1.00 0.39 H new ATOM 0 HD13 ILE A 41 0.244 4.601 0.936 1.00 0.39 H new ATOM 767 N LEU A 42 4.410 3.033 4.645 1.00 0.31 N ATOM 768 CA LEU A 42 4.966 1.856 5.299 1.00 0.35 C ATOM 769 C LEU A 42 5.328 2.128 6.753 1.00 0.35 C ATOM 770 O LEU A 42 5.186 1.258 7.611 1.00 0.38 O ATOM 771 CB LEU A 42 6.222 1.362 4.582 1.00 0.39 C ATOM 772 CG LEU A 42 6.003 0.680 3.235 1.00 0.40 C ATOM 773 CD1 LEU A 42 7.318 0.121 2.724 1.00 0.45 C ATOM 774 CD2 LEU A 42 4.958 -0.424 3.343 1.00 0.40 C ATOM 0 H LEU A 42 4.967 3.387 3.867 1.00 0.31 H new ATOM 0 HA LEU A 42 4.188 1.094 5.257 1.00 0.35 H new ATOM 0 HB2 LEU A 42 6.888 2.212 4.432 1.00 0.39 H new ATOM 0 HB3 LEU A 42 6.740 0.664 5.240 1.00 0.39 H new ATOM 0 HG LEU A 42 5.631 1.421 2.527 1.00 0.40 H new ATOM 0 HD11 LEU A 42 7.157 -0.365 1.762 1.00 0.45 H new ATOM 0 HD12 LEU A 42 8.036 0.932 2.605 1.00 0.45 H new ATOM 0 HD13 LEU A 42 7.706 -0.606 3.438 1.00 0.45 H new ATOM 0 HD21 LEU A 42 4.822 -0.893 2.368 1.00 0.40 H new ATOM 0 HD22 LEU A 42 5.292 -1.172 4.062 1.00 0.40 H new ATOM 0 HD23 LEU A 42 4.012 0.002 3.676 1.00 0.40 H new ATOM 786 N HIS A 43 5.782 3.345 7.023 1.00 0.35 N ATOM 787 CA HIS A 43 6.037 3.759 8.393 1.00 0.37 C ATOM 788 C HIS A 43 4.732 3.781 9.187 1.00 0.35 C ATOM 789 O HIS A 43 4.678 3.270 10.305 1.00 0.40 O ATOM 790 CB HIS A 43 6.707 5.134 8.448 1.00 0.40 C ATOM 791 CG HIS A 43 7.295 5.440 9.791 1.00 0.49 C ATOM 792 ND1 HIS A 43 6.763 6.366 10.662 1.00 1.17 N ATOM 793 CD2 HIS A 43 8.379 4.925 10.411 1.00 1.23 C ATOM 794 CE1 HIS A 43 7.497 6.405 11.760 1.00 0.93 C ATOM 795 NE2 HIS A 43 8.483 5.540 11.632 1.00 0.92 N ATOM 0 H HIS A 43 5.979 4.055 6.318 1.00 0.35 H new ATOM 0 HA HIS A 43 6.719 3.035 8.839 1.00 0.37 H new ATOM 0 HB2 HIS A 43 7.492 5.181 7.693 1.00 0.40 H new ATOM 0 HB3 HIS A 43 5.975 5.900 8.194 1.00 0.40 H new ATOM 0 HD2 HIS A 43 9.042 4.168 10.017 1.00 1.23 H new ATOM 0 HE1 HIS A 43 7.319 7.038 12.617 1.00 0.93 H new ATOM 0 HE2 HIS A 43 9.206 5.358 12.328 1.00 0.92 H new ATOM 804 N TYR A 44 3.679 4.364 8.598 1.00 0.30 N ATOM 805 CA TYR A 44 2.353 4.369 9.218 1.00 0.30 C ATOM 806 C TYR A 44 1.886 2.944 9.468 1.00 0.32 C ATOM 807 O TYR A 44 1.370 2.611 10.529 1.00 0.40 O ATOM 808 CB TYR A 44 1.325 5.044 8.316 1.00 0.31 C ATOM 809 CG TYR A 44 1.558 6.510 8.082 1.00 0.35 C ATOM 810 CD1 TYR A 44 2.199 7.278 9.038 1.00 0.42 C ATOM 811 CD2 TYR A 44 1.164 7.120 6.903 1.00 0.40 C ATOM 812 CE1 TYR A 44 2.439 8.616 8.832 1.00 0.52 C ATOM 813 CE2 TYR A 44 1.401 8.456 6.684 1.00 0.50 C ATOM 814 CZ TYR A 44 1.932 9.221 7.652 1.00 0.58 C ATOM 815 OH TYR A 44 2.301 10.538 7.440 1.00 0.68 O ATOM 0 H TYR A 44 3.722 4.836 7.695 1.00 0.30 H new ATOM 0 HA TYR A 44 2.436 4.918 10.156 1.00 0.30 H new ATOM 0 HB2 TYR A 44 1.317 4.534 7.353 1.00 0.31 H new ATOM 0 HB3 TYR A 44 0.336 4.913 8.755 1.00 0.31 H new ATOM 0 HD1 TYR A 44 2.516 6.818 9.962 1.00 0.42 H new ATOM 0 HD2 TYR A 44 0.663 6.537 6.144 1.00 0.40 H new ATOM 0 HE1 TYR A 44 3.000 9.194 9.551 1.00 0.52 H new ATOM 0 HE2 TYR A 44 1.159 8.894 5.727 1.00 0.50 H new ATOM 0 HH TYR A 44 1.902 10.859 6.604 1.00 0.68 H new ATOM 825 N TYR A 45 2.074 2.124 8.451 1.00 0.30 N ATOM 826 CA TYR A 45 1.666 0.741 8.471 1.00 0.33 C ATOM 827 C TYR A 45 2.308 -0.015 9.632 1.00 0.40 C ATOM 828 O TYR A 45 1.636 -0.743 10.363 1.00 0.42 O ATOM 829 CB TYR A 45 2.045 0.104 7.133 1.00 0.35 C ATOM 830 CG TYR A 45 1.775 -1.366 7.052 1.00 0.40 C ATOM 831 CD1 TYR A 45 0.477 -1.836 7.092 1.00 0.41 C ATOM 832 CD2 TYR A 45 2.807 -2.279 6.932 1.00 0.49 C ATOM 833 CE1 TYR A 45 0.205 -3.179 7.011 1.00 0.46 C ATOM 834 CE2 TYR A 45 2.549 -3.629 6.854 1.00 0.54 C ATOM 835 CZ TYR A 45 1.313 -4.090 6.910 1.00 0.53 C ATOM 836 OH TYR A 45 0.973 -5.421 6.795 1.00 0.58 O ATOM 0 H TYR A 45 2.520 2.408 7.579 1.00 0.30 H new ATOM 0 HA TYR A 45 0.587 0.687 8.617 1.00 0.33 H new ATOM 0 HB2 TYR A 45 1.497 0.607 6.336 1.00 0.35 H new ATOM 0 HB3 TYR A 45 3.105 0.277 6.949 1.00 0.35 H new ATOM 0 HD1 TYR A 45 -0.338 -1.134 7.189 1.00 0.41 H new ATOM 0 HD2 TYR A 45 3.828 -1.928 6.899 1.00 0.49 H new ATOM 0 HE1 TYR A 45 -0.812 -3.541 7.023 1.00 0.46 H new ATOM 0 HE2 TYR A 45 3.370 -4.322 6.745 1.00 0.54 H new ATOM 0 HH TYR A 45 0.058 -5.554 7.120 1.00 0.58 H new ATOM 846 N ASP A 46 3.601 0.176 9.822 1.00 0.43 N ATOM 847 CA ASP A 46 4.328 -0.605 10.809 1.00 0.51 C ATOM 848 C ASP A 46 4.041 -0.128 12.233 1.00 0.53 C ATOM 849 O ASP A 46 4.225 -0.885 13.188 1.00 0.60 O ATOM 850 CB ASP A 46 5.828 -0.582 10.510 1.00 0.58 C ATOM 851 CG ASP A 46 6.628 -1.525 11.386 1.00 0.90 C ATOM 852 OD1 ASP A 46 6.634 -2.742 11.102 1.00 1.20 O ATOM 853 OD2 ASP A 46 7.280 -1.054 12.339 1.00 1.14 O ATOM 0 H ASP A 46 4.165 0.857 9.313 1.00 0.43 H new ATOM 0 HA ASP A 46 3.979 -1.635 10.741 1.00 0.51 H new ATOM 0 HB2 ASP A 46 5.987 -0.845 9.464 1.00 0.58 H new ATOM 0 HB3 ASP A 46 6.203 0.433 10.644 1.00 0.58 H new ATOM 858 N GLU A 47 3.554 1.102 12.391 1.00 0.49 N ATOM 859 CA GLU A 47 3.235 1.619 13.714 1.00 0.51 C ATOM 860 C GLU A 47 1.761 1.389 14.057 1.00 0.49 C ATOM 861 O GLU A 47 1.249 1.934 15.036 1.00 0.58 O ATOM 862 CB GLU A 47 3.570 3.112 13.804 1.00 0.53 C ATOM 863 CG GLU A 47 2.877 3.959 12.757 1.00 1.21 C ATOM 864 CD GLU A 47 3.208 5.434 12.879 1.00 1.73 C ATOM 865 OE1 GLU A 47 4.295 5.851 12.431 1.00 2.22 O ATOM 866 OE2 GLU A 47 2.381 6.188 13.428 1.00 2.21 O ATOM 0 H GLU A 47 3.374 1.751 11.625 1.00 0.49 H new ATOM 0 HA GLU A 47 3.843 1.077 14.438 1.00 0.51 H new ATOM 0 HB2 GLU A 47 3.295 3.477 14.793 1.00 0.53 H new ATOM 0 HB3 GLU A 47 4.648 3.239 13.705 1.00 0.53 H new ATOM 0 HG2 GLU A 47 3.163 3.608 11.765 1.00 1.21 H new ATOM 0 HG3 GLU A 47 1.799 3.825 12.844 1.00 1.21 H new ATOM 873 N LEU A 48 1.079 0.585 13.240 1.00 0.44 N ATOM 874 CA LEU A 48 -0.325 0.263 13.446 1.00 0.46 C ATOM 875 C LEU A 48 -0.535 -0.648 14.656 1.00 0.69 C ATOM 876 O LEU A 48 0.335 -0.775 15.518 1.00 1.11 O ATOM 877 CB LEU A 48 -0.869 -0.366 12.159 1.00 0.37 C ATOM 878 CG LEU A 48 -1.094 0.623 11.022 1.00 0.36 C ATOM 879 CD1 LEU A 48 -1.574 -0.104 9.782 1.00 0.44 C ATOM 880 CD2 LEU A 48 -2.095 1.679 11.452 1.00 0.47 C ATOM 0 H LEU A 48 1.489 0.141 12.418 1.00 0.44 H new ATOM 0 HA LEU A 48 -0.875 1.177 13.668 1.00 0.46 H new ATOM 0 HB2 LEU A 48 -0.174 -1.135 11.823 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -1.812 -0.864 12.383 1.00 0.37 H new ATOM 0 HG LEU A 48 -0.152 1.115 10.782 1.00 0.36 H new ATOM 0 HD11 LEU A 48 -1.731 0.614 8.977 1.00 0.44 H new ATOM 0 HD12 LEU A 48 -0.825 -0.834 9.476 1.00 0.44 H new ATOM 0 HD13 LEU A 48 -2.512 -0.615 10.000 1.00 0.44 H new ATOM 0 HD21 LEU A 48 -2.253 2.384 10.636 1.00 0.47 H new ATOM 0 HD22 LEU A 48 -3.041 1.201 11.707 1.00 0.47 H new ATOM 0 HD23 LEU A 48 -1.711 2.211 12.322 1.00 0.47 H new ATOM 892 N GLU A 49 -1.686 -1.292 14.696 1.00 0.61 N ATOM 893 CA GLU A 49 -2.121 -2.020 15.881 1.00 0.86 C ATOM 894 C GLU A 49 -3.339 -2.896 15.598 1.00 0.61 C ATOM 895 O GLU A 49 -4.252 -2.482 14.890 1.00 1.16 O ATOM 896 CB GLU A 49 -2.449 -1.040 17.008 1.00 1.42 C ATOM 897 CG GLU A 49 -3.415 0.058 16.599 1.00 1.33 C ATOM 898 CD GLU A 49 -3.698 1.028 17.724 1.00 2.01 C ATOM 899 OE1 GLU A 49 -2.902 1.968 17.922 1.00 2.19 O ATOM 900 OE2 GLU A 49 -4.724 0.863 18.413 1.00 2.83 O ATOM 0 H GLU A 49 -2.344 -1.328 13.917 1.00 0.61 H new ATOM 0 HA GLU A 49 -1.300 -2.672 16.182 1.00 0.86 H new ATOM 0 HB2 GLU A 49 -2.874 -1.592 17.846 1.00 1.42 H new ATOM 0 HB3 GLU A 49 -1.524 -0.585 17.363 1.00 1.42 H new ATOM 0 HG2 GLU A 49 -3.003 0.602 15.749 1.00 1.33 H new ATOM 0 HG3 GLU A 49 -4.351 -0.391 16.266 1.00 1.33 H new ATOM 907 N GLY A 50 -3.310 -4.117 16.130 1.00 0.74 N ATOM 908 CA GLY A 50 -4.472 -5.000 16.140 1.00 0.61 C ATOM 909 C GLY A 50 -5.232 -5.070 14.828 1.00 0.54 C ATOM 910 O GLY A 50 -4.678 -5.451 13.790 1.00 0.54 O ATOM 0 H GLY A 50 -2.480 -4.520 16.565 1.00 0.74 H new ATOM 0 HA2 GLY A 50 -4.145 -6.005 16.408 1.00 0.61 H new ATOM 0 HA3 GLY A 50 -5.155 -4.669 16.922 1.00 0.61 H new ATOM 914 N ASP A 51 -6.504 -4.688 14.878 1.00 0.54 N ATOM 915 CA ASP A 51 -7.384 -4.763 13.716 1.00 0.52 C ATOM 916 C ASP A 51 -7.110 -3.620 12.750 1.00 0.46 C ATOM 917 O ASP A 51 -7.424 -3.727 11.567 1.00 0.46 O ATOM 918 CB ASP A 51 -8.856 -4.757 14.139 1.00 0.58 C ATOM 919 CG ASP A 51 -9.261 -3.485 14.849 1.00 1.53 C ATOM 920 OD1 ASP A 51 -8.954 -3.347 16.049 1.00 2.06 O ATOM 921 OD2 ASP A 51 -9.884 -2.614 14.208 1.00 2.37 O ATOM 0 H ASP A 51 -6.952 -4.320 15.718 1.00 0.54 H new ATOM 0 HA ASP A 51 -7.176 -5.704 13.206 1.00 0.52 H new ATOM 0 HB2 ASP A 51 -9.482 -4.890 13.257 1.00 0.58 H new ATOM 0 HB3 ASP A 51 -9.044 -5.608 14.794 1.00 0.58 H new ATOM 926 N ALA A 52 -6.520 -2.536 13.247 1.00 0.43 N ATOM 927 CA ALA A 52 -6.101 -1.445 12.373 1.00 0.41 C ATOM 928 C ALA A 52 -5.101 -1.999 11.380 1.00 0.40 C ATOM 929 O ALA A 52 -5.156 -1.726 10.181 1.00 0.40 O ATOM 930 CB ALA A 52 -5.507 -0.295 13.172 1.00 0.42 C ATOM 0 H ALA A 52 -6.323 -2.390 14.237 1.00 0.43 H new ATOM 0 HA ALA A 52 -6.964 -1.041 11.844 1.00 0.41 H new ATOM 0 HB1 ALA A 52 -5.205 0.502 12.493 1.00 0.42 H new ATOM 0 HB2 ALA A 52 -6.252 0.086 13.870 1.00 0.42 H new ATOM 0 HB3 ALA A 52 -4.638 -0.648 13.727 1.00 0.42 H new ATOM 936 N LYS A 53 -4.174 -2.787 11.926 1.00 0.40 N ATOM 937 CA LYS A 53 -3.139 -3.442 11.150 1.00 0.41 C ATOM 938 C LYS A 53 -3.771 -4.335 10.099 1.00 0.41 C ATOM 939 O LYS A 53 -3.502 -4.187 8.912 1.00 0.40 O ATOM 940 CB LYS A 53 -2.247 -4.281 12.071 1.00 0.47 C ATOM 941 CG LYS A 53 -0.764 -3.961 11.969 1.00 0.52 C ATOM 942 CD LYS A 53 -0.219 -4.219 10.574 1.00 0.94 C ATOM 943 CE LYS A 53 1.248 -3.830 10.468 1.00 0.83 C ATOM 944 NZ LYS A 53 2.109 -4.621 11.384 1.00 1.62 N ATOM 0 H LYS A 53 -4.126 -2.985 12.925 1.00 0.40 H new ATOM 0 HA LYS A 53 -2.531 -2.683 10.658 1.00 0.41 H new ATOM 0 HB2 LYS A 53 -2.568 -4.133 13.102 1.00 0.47 H new ATOM 0 HB3 LYS A 53 -2.396 -5.336 11.839 1.00 0.47 H new ATOM 0 HG2 LYS A 53 -0.600 -2.917 12.235 1.00 0.52 H new ATOM 0 HG3 LYS A 53 -0.213 -4.564 12.691 1.00 0.52 H new ATOM 0 HD2 LYS A 53 -0.336 -5.274 10.326 1.00 0.94 H new ATOM 0 HD3 LYS A 53 -0.800 -3.654 9.845 1.00 0.94 H new ATOM 0 HE2 LYS A 53 1.586 -3.973 9.442 1.00 0.83 H new ATOM 0 HE3 LYS A 53 1.358 -2.770 10.695 1.00 0.83 H new ATOM 0 HZ1 LYS A 53 3.109 -4.432 11.170 1.00 1.62 H new ATOM 0 HZ2 LYS A 53 1.908 -4.352 12.368 1.00 1.62 H new ATOM 0 HZ3 LYS A 53 1.913 -5.634 11.256 1.00 1.62 H new ATOM 958 N LYS A 54 -4.607 -5.263 10.553 1.00 0.44 N ATOM 959 CA LYS A 54 -5.295 -6.188 9.660 1.00 0.47 C ATOM 960 C LYS A 54 -6.057 -5.438 8.570 1.00 0.44 C ATOM 961 O LYS A 54 -5.967 -5.792 7.395 1.00 0.46 O ATOM 962 CB LYS A 54 -6.231 -7.107 10.448 1.00 0.52 C ATOM 963 CG LYS A 54 -7.709 -6.808 10.278 1.00 0.99 C ATOM 964 CD LYS A 54 -8.535 -7.988 10.715 1.00 0.97 C ATOM 965 CE LYS A 54 -10.025 -7.706 10.604 1.00 1.74 C ATOM 966 NZ LYS A 54 -10.839 -8.907 10.922 1.00 2.49 N ATOM 0 H LYS A 54 -4.825 -5.395 11.541 1.00 0.44 H new ATOM 0 HA LYS A 54 -4.542 -6.807 9.173 1.00 0.47 H new ATOM 0 HB2 LYS A 54 -6.046 -8.137 10.144 1.00 0.52 H new ATOM 0 HB3 LYS A 54 -5.980 -7.037 11.506 1.00 0.52 H new ATOM 0 HG2 LYS A 54 -7.979 -5.930 10.864 1.00 0.99 H new ATOM 0 HG3 LYS A 54 -7.922 -6.573 9.235 1.00 0.99 H new ATOM 0 HD2 LYS A 54 -8.283 -8.855 10.104 1.00 0.97 H new ATOM 0 HD3 LYS A 54 -8.289 -8.242 11.746 1.00 0.97 H new ATOM 0 HE2 LYS A 54 -10.293 -6.895 11.282 1.00 1.74 H new ATOM 0 HE3 LYS A 54 -10.257 -7.367 9.594 1.00 1.74 H new ATOM 0 HZ1 LYS A 54 -11.849 -8.675 10.835 1.00 2.49 H new ATOM 0 HZ2 LYS A 54 -10.602 -9.673 10.259 1.00 2.49 H new ATOM 0 HZ3 LYS A 54 -10.637 -9.216 11.894 1.00 2.49 H new ATOM 980 N GLU A 55 -6.775 -4.386 8.952 1.00 0.42 N ATOM 981 CA GLU A 55 -7.567 -3.627 8.008 1.00 0.41 C ATOM 982 C GLU A 55 -6.680 -2.904 7.018 1.00 0.39 C ATOM 983 O GLU A 55 -6.935 -2.951 5.814 1.00 0.41 O ATOM 984 CB GLU A 55 -8.470 -2.641 8.742 1.00 0.42 C ATOM 985 CG GLU A 55 -9.783 -3.249 9.189 1.00 0.89 C ATOM 986 CD GLU A 55 -10.865 -2.208 9.363 1.00 1.39 C ATOM 987 OE1 GLU A 55 -11.373 -1.701 8.341 1.00 1.34 O ATOM 988 OE2 GLU A 55 -11.221 -1.899 10.519 1.00 2.27 O ATOM 0 H GLU A 55 -6.820 -4.044 9.912 1.00 0.42 H new ATOM 0 HA GLU A 55 -8.195 -4.323 7.452 1.00 0.41 H new ATOM 0 HB2 GLU A 55 -7.941 -2.254 9.613 1.00 0.42 H new ATOM 0 HB3 GLU A 55 -8.674 -1.792 8.090 1.00 0.42 H new ATOM 0 HG2 GLU A 55 -10.107 -3.988 8.456 1.00 0.89 H new ATOM 0 HG3 GLU A 55 -9.635 -3.777 10.131 1.00 0.89 H new ATOM 995 N ALA A 56 -5.646 -2.235 7.499 1.00 0.36 N ATOM 996 CA ALA A 56 -4.747 -1.554 6.595 1.00 0.34 C ATOM 997 C ALA A 56 -4.105 -2.565 5.663 1.00 0.36 C ATOM 998 O ALA A 56 -4.146 -2.406 4.449 1.00 0.37 O ATOM 999 CB ALA A 56 -3.700 -0.757 7.349 1.00 0.31 C ATOM 0 H ALA A 56 -5.414 -2.151 8.489 1.00 0.36 H new ATOM 0 HA ALA A 56 -5.320 -0.841 6.002 1.00 0.34 H new ATOM 0 HB1 ALA A 56 -3.041 -0.258 6.638 1.00 0.31 H new ATOM 0 HB2 ALA A 56 -4.191 -0.011 7.974 1.00 0.31 H new ATOM 0 HB3 ALA A 56 -3.114 -1.428 7.977 1.00 0.31 H new ATOM 1005 N THR A 57 -3.536 -3.614 6.241 1.00 0.38 N ATOM 1006 CA THR A 57 -2.892 -4.666 5.473 1.00 0.41 C ATOM 1007 C THR A 57 -3.789 -5.202 4.363 1.00 0.44 C ATOM 1008 O THR A 57 -3.364 -5.363 3.230 1.00 0.45 O ATOM 1009 CB THR A 57 -2.486 -5.847 6.373 1.00 0.45 C ATOM 1010 OG1 THR A 57 -1.672 -5.390 7.454 1.00 0.43 O ATOM 1011 CG2 THR A 57 -1.733 -6.898 5.577 1.00 0.51 C ATOM 0 H THR A 57 -3.509 -3.758 7.250 1.00 0.38 H new ATOM 0 HA THR A 57 -2.007 -4.211 5.029 1.00 0.41 H new ATOM 0 HB THR A 57 -3.396 -6.295 6.772 1.00 0.45 H new ATOM 0 HG1 THR A 57 -2.239 -4.977 8.138 1.00 0.43 H new ATOM 0 HG21 THR A 57 -1.456 -7.723 6.234 1.00 0.51 H new ATOM 0 HG22 THR A 57 -2.369 -7.271 4.774 1.00 0.51 H new ATOM 0 HG23 THR A 57 -0.832 -6.456 5.151 1.00 0.51 H new ATOM 1019 N GLU A 58 -5.047 -5.454 4.716 1.00 0.45 N ATOM 1020 CA GLU A 58 -6.048 -5.927 3.766 1.00 0.49 C ATOM 1021 C GLU A 58 -6.355 -4.879 2.696 1.00 0.48 C ATOM 1022 O GLU A 58 -6.708 -5.230 1.566 1.00 0.53 O ATOM 1023 CB GLU A 58 -7.325 -6.334 4.505 1.00 0.52 C ATOM 1024 CG GLU A 58 -7.217 -7.695 5.170 1.00 0.78 C ATOM 1025 CD GLU A 58 -8.508 -8.125 5.829 1.00 1.14 C ATOM 1026 OE1 GLU A 58 -9.401 -8.632 5.118 1.00 1.37 O ATOM 1027 OE2 GLU A 58 -8.637 -7.962 7.058 1.00 1.71 O ATOM 0 H GLU A 58 -5.400 -5.336 5.666 1.00 0.45 H new ATOM 0 HA GLU A 58 -5.639 -6.799 3.257 1.00 0.49 H new ATOM 0 HB2 GLU A 58 -7.556 -5.584 5.261 1.00 0.52 H new ATOM 0 HB3 GLU A 58 -8.158 -6.344 3.802 1.00 0.52 H new ATOM 0 HG2 GLU A 58 -6.929 -8.437 4.425 1.00 0.78 H new ATOM 0 HG3 GLU A 58 -6.424 -7.668 5.917 1.00 0.78 H new ATOM 1034 N HIS A 59 -6.209 -3.604 3.031 1.00 0.43 N ATOM 1035 CA HIS A 59 -6.455 -2.543 2.064 1.00 0.43 C ATOM 1036 C HIS A 59 -5.262 -2.404 1.140 1.00 0.42 C ATOM 1037 O HIS A 59 -5.416 -2.295 -0.074 1.00 0.44 O ATOM 1038 CB HIS A 59 -6.744 -1.208 2.754 1.00 0.40 C ATOM 1039 CG HIS A 59 -8.105 -1.129 3.367 1.00 0.48 C ATOM 1040 ND1 HIS A 59 -9.246 -1.561 2.726 1.00 0.72 N ATOM 1041 CD2 HIS A 59 -8.511 -0.666 4.573 1.00 0.42 C ATOM 1042 CE1 HIS A 59 -10.289 -1.368 3.509 1.00 0.77 C ATOM 1043 NE2 HIS A 59 -9.871 -0.827 4.635 1.00 0.57 N ATOM 0 H HIS A 59 -5.924 -3.281 3.956 1.00 0.43 H new ATOM 0 HA HIS A 59 -7.337 -2.814 1.483 1.00 0.43 H new ATOM 0 HB2 HIS A 59 -5.996 -1.041 3.529 1.00 0.40 H new ATOM 0 HB3 HIS A 59 -6.636 -0.403 2.027 1.00 0.40 H new ATOM 0 HD2 HIS A 59 -7.880 -0.247 5.343 1.00 0.42 H new ATOM 0 HE1 HIS A 59 -11.313 -1.612 3.268 1.00 0.77 H new ATOM 0 HE2 HIS A 59 -10.463 -0.570 5.425 1.00 0.57 H new ATOM 1052 N LEU A 60 -4.074 -2.391 1.725 1.00 0.40 N ATOM 1053 CA LEU A 60 -2.846 -2.445 0.981 1.00 0.40 C ATOM 1054 C LEU A 60 -2.754 -3.720 0.140 1.00 0.43 C ATOM 1055 O LEU A 60 -2.189 -3.703 -0.952 1.00 0.43 O ATOM 1056 CB LEU A 60 -1.669 -2.337 1.944 1.00 0.39 C ATOM 1057 CG LEU A 60 -1.366 -0.911 2.391 1.00 0.38 C ATOM 1058 CD1 LEU A 60 -2.473 -0.340 3.245 1.00 0.62 C ATOM 1059 CD2 LEU A 60 -0.025 -0.828 3.104 1.00 0.59 C ATOM 0 H LEU A 60 -3.945 -2.342 2.736 1.00 0.40 H new ATOM 0 HA LEU A 60 -2.820 -1.606 0.286 1.00 0.40 H new ATOM 0 HB2 LEU A 60 -1.875 -2.947 2.824 1.00 0.39 H new ATOM 0 HB3 LEU A 60 -0.782 -2.754 1.467 1.00 0.39 H new ATOM 0 HG LEU A 60 -1.305 -0.300 1.490 1.00 0.38 H new ATOM 0 HD11 LEU A 60 -2.216 0.677 3.541 1.00 0.62 H new ATOM 0 HD12 LEU A 60 -3.402 -0.328 2.676 1.00 0.62 H new ATOM 0 HD13 LEU A 60 -2.600 -0.956 4.135 1.00 0.62 H new ATOM 0 HD21 LEU A 60 0.161 0.201 3.410 1.00 0.59 H new ATOM 0 HD22 LEU A 60 -0.040 -1.471 3.984 1.00 0.59 H new ATOM 0 HD23 LEU A 60 0.766 -1.155 2.430 1.00 0.59 H new ATOM 1071 N LYS A 61 -3.314 -4.821 0.642 1.00 0.46 N ATOM 1072 CA LYS A 61 -3.363 -6.065 -0.117 1.00 0.50 C ATOM 1073 C LYS A 61 -4.225 -5.884 -1.348 1.00 0.53 C ATOM 1074 O LYS A 61 -3.806 -6.208 -2.454 1.00 0.56 O ATOM 1075 CB LYS A 61 -3.902 -7.228 0.726 1.00 0.51 C ATOM 1076 CG LYS A 61 -2.856 -7.896 1.605 1.00 0.57 C ATOM 1077 CD LYS A 61 -3.456 -9.039 2.414 1.00 0.57 C ATOM 1078 CE LYS A 61 -2.392 -9.783 3.204 1.00 0.59 C ATOM 1079 NZ LYS A 61 -2.967 -10.888 4.013 1.00 0.67 N ATOM 0 H LYS A 61 -3.738 -4.874 1.568 1.00 0.46 H new ATOM 0 HA LYS A 61 -2.343 -6.312 -0.412 1.00 0.50 H new ATOM 0 HB2 LYS A 61 -4.711 -6.860 1.358 1.00 0.51 H new ATOM 0 HB3 LYS A 61 -4.333 -7.976 0.060 1.00 0.51 H new ATOM 0 HG2 LYS A 61 -2.045 -8.275 0.983 1.00 0.57 H new ATOM 0 HG3 LYS A 61 -2.422 -7.159 2.281 1.00 0.57 H new ATOM 0 HD2 LYS A 61 -4.209 -8.646 3.097 1.00 0.57 H new ATOM 0 HD3 LYS A 61 -3.964 -9.732 1.744 1.00 0.57 H new ATOM 0 HE2 LYS A 61 -1.647 -10.186 2.518 1.00 0.59 H new ATOM 0 HE3 LYS A 61 -1.874 -9.084 3.861 1.00 0.59 H new ATOM 0 HZ1 LYS A 61 -2.206 -11.368 4.535 1.00 0.67 H new ATOM 0 HZ2 LYS A 61 -3.659 -10.502 4.686 1.00 0.67 H new ATOM 0 HZ3 LYS A 61 -3.439 -11.569 3.385 1.00 0.67 H new ATOM 1093 N GLY A 62 -5.443 -5.384 -1.152 1.00 0.53 N ATOM 1094 CA GLY A 62 -6.292 -5.034 -2.270 1.00 0.56 C ATOM 1095 C GLY A 62 -5.603 -4.063 -3.206 1.00 0.55 C ATOM 1096 O GLY A 62 -5.700 -4.190 -4.418 1.00 0.59 O ATOM 0 H GLY A 62 -5.855 -5.216 -0.234 1.00 0.53 H new ATOM 0 HA2 GLY A 62 -6.566 -5.936 -2.817 1.00 0.56 H new ATOM 0 HA3 GLY A 62 -7.217 -4.591 -1.901 1.00 0.56 H new ATOM 1100 N GLY A 63 -4.889 -3.097 -2.636 1.00 0.50 N ATOM 1101 CA GLY A 63 -4.104 -2.173 -3.433 1.00 0.49 C ATOM 1102 C GLY A 63 -3.083 -2.893 -4.286 1.00 0.49 C ATOM 1103 O GLY A 63 -2.956 -2.614 -5.476 1.00 0.50 O ATOM 0 H GLY A 63 -4.841 -2.938 -1.630 1.00 0.50 H new ATOM 0 HA2 GLY A 63 -4.767 -1.591 -4.073 1.00 0.49 H new ATOM 0 HA3 GLY A 63 -3.596 -1.467 -2.776 1.00 0.49 H new ATOM 1107 N CYS A 64 -2.370 -3.825 -3.674 1.00 0.51 N ATOM 1108 CA CYS A 64 -1.422 -4.661 -4.393 1.00 0.55 C ATOM 1109 C CYS A 64 -2.143 -5.480 -5.451 1.00 0.56 C ATOM 1110 O CYS A 64 -1.672 -5.615 -6.574 1.00 0.56 O ATOM 1111 CB CYS A 64 -0.690 -5.591 -3.424 1.00 0.68 C ATOM 1112 SG CYS A 64 0.490 -6.724 -4.226 1.00 1.13 S ATOM 0 H CYS A 64 -2.431 -4.022 -2.675 1.00 0.51 H new ATOM 0 HA CYS A 64 -0.691 -4.016 -4.880 1.00 0.55 H new ATOM 0 HB2 CYS A 64 -0.156 -4.986 -2.691 1.00 0.68 H new ATOM 0 HB3 CYS A 64 -1.426 -6.179 -2.876 1.00 0.68 H new ATOM 1117 N ARG A 65 -3.299 -6.005 -5.078 1.00 0.62 N ATOM 1118 CA ARG A 65 -4.131 -6.782 -5.981 1.00 0.67 C ATOM 1119 C ARG A 65 -4.548 -5.940 -7.185 1.00 0.65 C ATOM 1120 O ARG A 65 -4.468 -6.393 -8.320 1.00 0.79 O ATOM 1121 CB ARG A 65 -5.365 -7.283 -5.233 1.00 0.76 C ATOM 1122 CG ARG A 65 -6.290 -8.152 -6.066 1.00 0.86 C ATOM 1123 CD ARG A 65 -7.612 -8.363 -5.351 1.00 1.49 C ATOM 1124 NE ARG A 65 -8.295 -7.093 -5.110 1.00 2.07 N ATOM 1125 CZ ARG A 65 -9.192 -6.891 -4.149 1.00 2.91 C ATOM 1126 NH1 ARG A 65 -9.540 -7.876 -3.330 1.00 3.31 N ATOM 1127 NH2 ARG A 65 -9.733 -5.688 -4.010 1.00 3.80 N ATOM 0 H ARG A 65 -3.687 -5.904 -4.140 1.00 0.62 H new ATOM 0 HA ARG A 65 -3.559 -7.636 -6.344 1.00 0.67 H new ATOM 0 HB2 ARG A 65 -5.041 -7.850 -4.360 1.00 0.76 H new ATOM 0 HB3 ARG A 65 -5.926 -6.424 -4.865 1.00 0.76 H new ATOM 0 HG2 ARG A 65 -6.465 -7.683 -7.034 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -5.817 -9.115 -6.259 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -8.251 -9.014 -5.948 1.00 1.49 H new ATOM 0 HD3 ARG A 65 -7.438 -8.870 -4.402 1.00 1.49 H new ATOM 0 HE ARG A 65 -8.068 -6.308 -5.721 1.00 2.07 H new ATOM 0 HH11 ARG A 65 -9.118 -8.799 -3.434 1.00 3.31 H new ATOM 0 HH12 ARG A 65 -10.229 -7.710 -2.596 1.00 3.31 H new ATOM 0 HH21 ARG A 65 -9.460 -4.931 -4.636 1.00 3.80 H new ATOM 0 HH22 ARG A 65 -10.422 -5.520 -3.277 1.00 3.80 H new ATOM 1141 N GLU A 66 -4.981 -4.709 -6.924 1.00 0.55 N ATOM 1142 CA GLU A 66 -5.388 -3.791 -7.983 1.00 0.55 C ATOM 1143 C GLU A 66 -4.197 -3.381 -8.850 1.00 0.48 C ATOM 1144 O GLU A 66 -4.329 -3.230 -10.065 1.00 0.47 O ATOM 1145 CB GLU A 66 -6.077 -2.552 -7.398 1.00 0.62 C ATOM 1146 CG GLU A 66 -7.593 -2.676 -7.271 1.00 0.75 C ATOM 1147 CD GLU A 66 -8.045 -3.727 -6.274 1.00 1.27 C ATOM 1148 OE1 GLU A 66 -8.152 -4.913 -6.657 1.00 1.61 O ATOM 1149 OE2 GLU A 66 -8.313 -3.371 -5.103 1.00 2.02 O ATOM 0 H GLU A 66 -5.059 -4.323 -5.983 1.00 0.55 H new ATOM 0 HA GLU A 66 -6.102 -4.316 -8.617 1.00 0.55 H new ATOM 0 HB2 GLU A 66 -5.657 -2.349 -6.413 1.00 0.62 H new ATOM 0 HB3 GLU A 66 -5.846 -1.692 -8.026 1.00 0.62 H new ATOM 0 HG2 GLU A 66 -8.003 -1.710 -6.976 1.00 0.75 H new ATOM 0 HG3 GLU A 66 -8.011 -2.914 -8.249 1.00 0.75 H new ATOM 1156 N ILE A 67 -3.036 -3.203 -8.235 1.00 0.47 N ATOM 1157 CA ILE A 67 -1.821 -2.917 -8.988 1.00 0.47 C ATOM 1158 C ILE A 67 -1.409 -4.137 -9.803 1.00 0.45 C ATOM 1159 O ILE A 67 -0.989 -4.015 -10.953 1.00 0.45 O ATOM 1160 CB ILE A 67 -0.662 -2.472 -8.066 1.00 0.58 C ATOM 1161 CG1 ILE A 67 -0.943 -1.060 -7.541 1.00 0.67 C ATOM 1162 CG2 ILE A 67 0.679 -2.526 -8.800 1.00 0.60 C ATOM 1163 CD1 ILE A 67 0.119 -0.523 -6.604 1.00 0.81 C ATOM 0 H ILE A 67 -2.909 -3.251 -7.224 1.00 0.47 H new ATOM 0 HA ILE A 67 -2.039 -2.089 -9.663 1.00 0.47 H new ATOM 0 HB ILE A 67 -0.597 -3.160 -7.223 1.00 0.58 H new ATOM 0 HG12 ILE A 67 -1.040 -0.382 -8.389 1.00 0.67 H new ATOM 0 HG13 ILE A 67 -1.902 -1.061 -7.023 1.00 0.67 H new ATOM 0 HG21 ILE A 67 1.475 -2.208 -8.127 1.00 0.60 H new ATOM 0 HG22 ILE A 67 0.871 -3.546 -9.132 1.00 0.60 H new ATOM 0 HG23 ILE A 67 0.648 -1.863 -9.664 1.00 0.60 H new ATOM 0 HD11 ILE A 67 -0.156 0.480 -6.279 1.00 0.81 H new ATOM 0 HD12 ILE A 67 0.202 -1.176 -5.735 1.00 0.81 H new ATOM 0 HD13 ILE A 67 1.077 -0.486 -7.123 1.00 0.81 H new ATOM 1175 N LEU A 68 -1.560 -5.309 -9.205 1.00 0.61 N ATOM 1176 CA LEU A 68 -1.279 -6.568 -9.879 1.00 0.80 C ATOM 1177 C LEU A 68 -2.285 -6.773 -11.012 1.00 0.82 C ATOM 1178 O LEU A 68 -1.992 -7.405 -12.021 1.00 0.88 O ATOM 1179 CB LEU A 68 -1.340 -7.713 -8.863 1.00 1.12 C ATOM 1180 CG LEU A 68 -0.596 -8.988 -9.248 1.00 1.34 C ATOM 1181 CD1 LEU A 68 0.842 -8.675 -9.636 1.00 1.58 C ATOM 1182 CD2 LEU A 68 -0.626 -9.976 -8.092 1.00 1.71 C ATOM 0 H LEU A 68 -1.880 -5.414 -8.242 1.00 0.61 H new ATOM 0 HA LEU A 68 -0.279 -6.550 -10.312 1.00 0.80 H new ATOM 0 HB2 LEU A 68 -0.938 -7.354 -7.916 1.00 1.12 H new ATOM 0 HB3 LEU A 68 -2.387 -7.964 -8.691 1.00 1.12 H new ATOM 0 HG LEU A 68 -1.093 -9.434 -10.109 1.00 1.34 H new ATOM 0 HD11 LEU A 68 1.355 -9.598 -9.907 1.00 1.58 H new ATOM 0 HD12 LEU A 68 0.849 -7.993 -10.486 1.00 1.58 H new ATOM 0 HD13 LEU A 68 1.353 -8.210 -8.793 1.00 1.58 H new ATOM 0 HD21 LEU A 68 -0.093 -10.884 -8.375 1.00 1.71 H new ATOM 0 HD22 LEU A 68 -0.147 -9.531 -7.220 1.00 1.71 H new ATOM 0 HD23 LEU A 68 -1.660 -10.223 -7.851 1.00 1.71 H new ATOM 1194 N LYS A 69 -3.442 -6.155 -10.837 1.00 0.95 N ATOM 1195 CA LYS A 69 -4.454 -6.131 -11.893 1.00 1.24 C ATOM 1196 C LYS A 69 -3.973 -5.309 -13.078 1.00 1.20 C ATOM 1197 O LYS A 69 -4.546 -5.368 -14.167 1.00 1.61 O ATOM 1198 CB LYS A 69 -5.790 -5.596 -11.387 1.00 1.39 C ATOM 1199 CG LYS A 69 -6.566 -6.591 -10.542 1.00 1.43 C ATOM 1200 CD LYS A 69 -7.845 -5.978 -10.006 1.00 1.50 C ATOM 1201 CE LYS A 69 -8.617 -6.961 -9.148 1.00 1.68 C ATOM 1202 NZ LYS A 69 -9.696 -6.289 -8.382 1.00 2.22 N ATOM 0 H LYS A 69 -3.707 -5.665 -9.982 1.00 0.95 H new ATOM 0 HA LYS A 69 -4.610 -7.160 -12.216 1.00 1.24 H new ATOM 0 HB2 LYS A 69 -5.612 -4.695 -10.800 1.00 1.39 H new ATOM 0 HB3 LYS A 69 -6.401 -5.304 -12.241 1.00 1.39 H new ATOM 0 HG2 LYS A 69 -6.804 -7.471 -11.139 1.00 1.43 H new ATOM 0 HG3 LYS A 69 -5.946 -6.928 -9.712 1.00 1.43 H new ATOM 0 HD2 LYS A 69 -7.606 -5.091 -9.419 1.00 1.50 H new ATOM 0 HD3 LYS A 69 -8.469 -5.651 -10.838 1.00 1.50 H new ATOM 0 HE2 LYS A 69 -9.048 -7.736 -9.781 1.00 1.68 H new ATOM 0 HE3 LYS A 69 -7.934 -7.456 -8.458 1.00 1.68 H new ATOM 0 HZ1 LYS A 69 -10.480 -6.955 -8.230 1.00 2.22 H new ATOM 0 HZ2 LYS A 69 -9.325 -5.975 -7.463 1.00 2.22 H new ATOM 0 HZ3 LYS A 69 -10.040 -5.466 -8.916 1.00 2.22 H new ATOM 1216 N HIS A 70 -2.917 -4.546 -12.859 1.00 1.05 N ATOM 1217 CA HIS A 70 -2.320 -3.749 -13.904 1.00 1.16 C ATOM 1218 C HIS A 70 -1.072 -4.441 -14.427 1.00 0.91 C ATOM 1219 O HIS A 70 -0.954 -4.758 -15.606 1.00 0.89 O ATOM 1220 CB HIS A 70 -1.982 -2.347 -13.399 1.00 1.41 C ATOM 1221 CG HIS A 70 -1.380 -1.472 -14.449 1.00 1.41 C ATOM 1222 ND1 HIS A 70 -2.122 -0.604 -15.216 1.00 1.59 N ATOM 1223 CD2 HIS A 70 -0.102 -1.348 -14.867 1.00 1.49 C ATOM 1224 CE1 HIS A 70 -1.326 0.015 -16.063 1.00 1.76 C ATOM 1225 NE2 HIS A 70 -0.094 -0.419 -15.873 1.00 1.74 N ATOM 0 H HIS A 70 -2.454 -4.465 -11.954 1.00 1.05 H new ATOM 0 HA HIS A 70 -3.039 -3.646 -14.717 1.00 1.16 H new ATOM 0 HB2 HIS A 70 -2.889 -1.876 -13.019 1.00 1.41 H new ATOM 0 HB3 HIS A 70 -1.289 -2.427 -12.561 1.00 1.41 H new ATOM 0 HD1 HIS A 70 -3.129 -0.462 -15.141 1.00 1.59 H new ATOM 0 HD2 HIS A 70 0.754 -1.882 -14.480 1.00 1.49 H new ATOM 0 HE1 HIS A 70 -1.630 0.753 -16.790 1.00 1.76 H new ATOM 1234 N VAL A 71 -0.135 -4.660 -13.502 1.00 0.76 N ATOM 1235 CA VAL A 71 1.192 -5.125 -13.823 1.00 0.69 C ATOM 1236 C VAL A 71 1.189 -6.559 -14.360 1.00 0.52 C ATOM 1237 O VAL A 71 1.818 -6.837 -15.379 1.00 0.59 O ATOM 1238 CB VAL A 71 2.123 -4.965 -12.597 1.00 0.81 C ATOM 1239 CG1 VAL A 71 1.565 -5.610 -11.373 1.00 1.01 C ATOM 1240 CG2 VAL A 71 3.500 -5.491 -12.871 1.00 1.46 C ATOM 0 H VAL A 71 -0.289 -4.515 -12.504 1.00 0.76 H new ATOM 0 HA VAL A 71 1.581 -4.504 -14.630 1.00 0.69 H new ATOM 0 HB VAL A 71 2.192 -3.893 -12.410 1.00 0.81 H new ATOM 0 HG11 VAL A 71 2.255 -5.470 -10.541 1.00 1.01 H new ATOM 0 HG12 VAL A 71 0.605 -5.156 -11.128 1.00 1.01 H new ATOM 0 HG13 VAL A 71 1.427 -6.676 -11.554 1.00 1.01 H new ATOM 0 HG21 VAL A 71 4.122 -5.360 -11.986 1.00 1.46 H new ATOM 0 HG22 VAL A 71 3.442 -6.551 -13.120 1.00 1.46 H new ATOM 0 HG23 VAL A 71 3.938 -4.945 -13.707 1.00 1.46 H new ATOM 1250 N VAL A 72 0.480 -7.464 -13.704 1.00 0.44 N ATOM 1251 CA VAL A 72 0.367 -8.814 -14.214 1.00 0.46 C ATOM 1252 C VAL A 72 -0.897 -8.950 -15.059 1.00 0.47 C ATOM 1253 O VAL A 72 -1.091 -9.939 -15.773 1.00 0.64 O ATOM 1254 CB VAL A 72 0.366 -9.862 -13.083 1.00 0.52 C ATOM 1255 CG1 VAL A 72 -1.037 -10.157 -12.574 1.00 0.74 C ATOM 1256 CG2 VAL A 72 1.072 -11.111 -13.546 1.00 0.80 C ATOM 0 H VAL A 72 -0.018 -7.289 -12.831 1.00 0.44 H new ATOM 0 HA VAL A 72 1.242 -9.005 -14.835 1.00 0.46 H new ATOM 0 HB VAL A 72 0.911 -9.450 -12.234 1.00 0.52 H new ATOM 0 HG11 VAL A 72 -0.987 -10.901 -11.779 1.00 0.74 H new ATOM 0 HG12 VAL A 72 -1.484 -9.241 -12.187 1.00 0.74 H new ATOM 0 HG13 VAL A 72 -1.647 -10.541 -13.391 1.00 0.74 H new ATOM 0 HG21 VAL A 72 1.069 -11.849 -12.744 1.00 0.80 H new ATOM 0 HG22 VAL A 72 0.557 -11.519 -14.416 1.00 0.80 H new ATOM 0 HG23 VAL A 72 2.101 -10.870 -13.813 1.00 0.80 H new ATOM 1266 N GLY A 73 -1.754 -7.943 -14.964 1.00 0.45 N ATOM 1267 CA GLY A 73 -2.989 -7.934 -15.714 1.00 0.48 C ATOM 1268 C GLY A 73 -4.100 -8.667 -14.995 1.00 0.50 C ATOM 1269 O GLY A 73 -3.845 -9.438 -14.065 1.00 0.55 O ATOM 0 H GLY A 73 -1.611 -7.124 -14.373 1.00 0.45 H new ATOM 0 HA2 GLY A 73 -3.294 -6.903 -15.896 1.00 0.48 H new ATOM 0 HA3 GLY A 73 -2.824 -8.394 -16.688 1.00 0.48 H new ATOM 1273 N GLU A 74 -5.337 -8.436 -15.420 1.00 0.54 N ATOM 1274 CA GLU A 74 -6.481 -9.135 -14.846 1.00 0.58 C ATOM 1275 C GLU A 74 -6.376 -10.627 -15.138 1.00 0.53 C ATOM 1276 O GLU A 74 -6.956 -11.444 -14.441 1.00 0.60 O ATOM 1277 CB GLU A 74 -7.797 -8.584 -15.396 1.00 0.69 C ATOM 1278 CG GLU A 74 -8.025 -7.114 -15.090 1.00 1.45 C ATOM 1279 CD GLU A 74 -9.399 -6.642 -15.513 1.00 1.80 C ATOM 1280 OE1 GLU A 74 -9.688 -6.643 -16.725 1.00 2.31 O ATOM 1281 OE2 GLU A 74 -10.204 -6.278 -14.633 1.00 2.10 O ATOM 0 H GLU A 74 -5.573 -7.772 -16.158 1.00 0.54 H new ATOM 0 HA GLU A 74 -6.473 -8.976 -13.768 1.00 0.58 H new ATOM 0 HB2 GLU A 74 -7.816 -8.727 -16.476 1.00 0.69 H new ATOM 0 HB3 GLU A 74 -8.623 -9.163 -14.983 1.00 0.69 H new ATOM 0 HG2 GLU A 74 -7.899 -6.945 -14.021 1.00 1.45 H new ATOM 0 HG3 GLU A 74 -7.267 -6.518 -15.598 1.00 1.45 H new ATOM 1288 N GLU A 75 -5.629 -10.952 -16.184 1.00 0.54 N ATOM 1289 CA GLU A 75 -5.312 -12.332 -16.545 1.00 0.55 C ATOM 1290 C GLU A 75 -4.781 -13.124 -15.361 1.00 0.53 C ATOM 1291 O GLU A 75 -5.424 -14.059 -14.887 1.00 0.56 O ATOM 1292 CB GLU A 75 -4.255 -12.328 -17.648 1.00 0.58 C ATOM 1293 CG GLU A 75 -3.821 -13.713 -18.080 1.00 0.95 C ATOM 1294 CD GLU A 75 -4.896 -14.434 -18.862 1.00 1.29 C ATOM 1295 OE1 GLU A 75 -5.086 -14.101 -20.047 1.00 2.00 O ATOM 1296 OE2 GLU A 75 -5.553 -15.333 -18.299 1.00 1.31 O ATOM 0 H GLU A 75 -5.221 -10.261 -16.813 1.00 0.54 H new ATOM 0 HA GLU A 75 -6.232 -12.808 -16.884 1.00 0.55 H new ATOM 0 HB2 GLU A 75 -4.647 -11.793 -18.513 1.00 0.58 H new ATOM 0 HB3 GLU A 75 -3.382 -11.775 -17.301 1.00 0.58 H new ATOM 0 HG2 GLU A 75 -2.921 -13.635 -18.690 1.00 0.95 H new ATOM 0 HG3 GLU A 75 -3.559 -14.300 -17.200 1.00 0.95 H new ATOM 1303 N LYS A 76 -3.615 -12.739 -14.878 1.00 0.50 N ATOM 1304 CA LYS A 76 -2.922 -13.524 -13.888 1.00 0.51 C ATOM 1305 C LYS A 76 -3.488 -13.265 -12.506 1.00 0.55 C ATOM 1306 O LYS A 76 -3.516 -14.156 -11.665 1.00 0.57 O ATOM 1307 CB LYS A 76 -1.431 -13.218 -13.936 1.00 0.47 C ATOM 1308 CG LYS A 76 -0.806 -13.429 -15.309 1.00 1.16 C ATOM 1309 CD LYS A 76 -0.983 -14.856 -15.803 1.00 1.43 C ATOM 1310 CE LYS A 76 -0.301 -15.863 -14.889 1.00 0.71 C ATOM 1311 NZ LYS A 76 -0.473 -17.253 -15.381 1.00 1.13 N ATOM 0 H LYS A 76 -3.132 -11.886 -15.159 1.00 0.50 H new ATOM 0 HA LYS A 76 -3.066 -14.581 -14.111 1.00 0.51 H new ATOM 0 HB2 LYS A 76 -1.271 -12.184 -13.629 1.00 0.47 H new ATOM 0 HB3 LYS A 76 -0.916 -13.849 -13.211 1.00 0.47 H new ATOM 0 HG2 LYS A 76 -1.258 -12.740 -16.023 1.00 1.16 H new ATOM 0 HG3 LYS A 76 0.257 -13.190 -15.264 1.00 1.16 H new ATOM 0 HD2 LYS A 76 -2.046 -15.088 -15.869 1.00 1.43 H new ATOM 0 HD3 LYS A 76 -0.574 -14.945 -16.810 1.00 1.43 H new ATOM 0 HE2 LYS A 76 0.762 -15.630 -14.819 1.00 0.71 H new ATOM 0 HE3 LYS A 76 -0.713 -15.779 -13.883 1.00 0.71 H new ATOM 0 HZ1 LYS A 76 -0.359 -17.918 -14.590 1.00 1.13 H new ATOM 0 HZ2 LYS A 76 -1.423 -17.361 -15.790 1.00 1.13 H new ATOM 0 HZ3 LYS A 76 0.242 -17.455 -16.109 1.00 1.13 H new ATOM 1325 N ALA A 77 -3.956 -12.043 -12.283 1.00 0.57 N ATOM 1326 CA ALA A 77 -4.591 -11.692 -11.021 1.00 0.64 C ATOM 1327 C ALA A 77 -5.869 -12.505 -10.833 1.00 0.65 C ATOM 1328 O ALA A 77 -6.251 -12.828 -9.710 1.00 0.70 O ATOM 1329 CB ALA A 77 -4.882 -10.200 -10.970 1.00 0.68 C ATOM 0 H ALA A 77 -3.907 -11.281 -12.959 1.00 0.57 H new ATOM 0 HA ALA A 77 -3.910 -11.930 -10.204 1.00 0.64 H new ATOM 0 HB1 ALA A 77 -5.357 -9.954 -10.020 1.00 0.68 H new ATOM 0 HB2 ALA A 77 -3.949 -9.644 -11.064 1.00 0.68 H new ATOM 0 HB3 ALA A 77 -5.549 -9.931 -11.789 1.00 0.68 H new ATOM 1335 N ALA A 78 -6.508 -12.852 -11.945 1.00 0.63 N ATOM 1336 CA ALA A 78 -7.694 -13.693 -11.925 1.00 0.67 C ATOM 1337 C ALA A 78 -7.330 -15.097 -11.467 1.00 0.67 C ATOM 1338 O ALA A 78 -8.087 -15.750 -10.747 1.00 0.73 O ATOM 1339 CB ALA A 78 -8.330 -13.739 -13.309 1.00 0.66 C ATOM 0 H ALA A 78 -6.219 -12.559 -12.878 1.00 0.63 H new ATOM 0 HA ALA A 78 -8.414 -13.270 -11.224 1.00 0.67 H new ATOM 0 HB1 ALA A 78 -9.217 -14.372 -13.281 1.00 0.66 H new ATOM 0 HB2 ALA A 78 -8.613 -12.731 -13.613 1.00 0.66 H new ATOM 0 HB3 ALA A 78 -7.616 -14.147 -14.024 1.00 0.66 H new ATOM 1345 N GLU A 79 -6.151 -15.543 -11.875 1.00 0.62 N ATOM 1346 CA GLU A 79 -5.682 -16.877 -11.548 1.00 0.65 C ATOM 1347 C GLU A 79 -5.153 -16.938 -10.127 1.00 0.66 C ATOM 1348 O GLU A 79 -5.236 -17.969 -9.476 1.00 0.67 O ATOM 1349 CB GLU A 79 -4.586 -17.313 -12.514 1.00 0.65 C ATOM 1350 CG GLU A 79 -4.998 -17.229 -13.967 1.00 0.85 C ATOM 1351 CD GLU A 79 -4.028 -17.946 -14.879 1.00 0.87 C ATOM 1352 OE1 GLU A 79 -4.126 -19.185 -15.006 1.00 1.26 O ATOM 1353 OE2 GLU A 79 -3.149 -17.283 -15.463 1.00 1.33 O ATOM 0 H GLU A 79 -5.500 -14.995 -12.437 1.00 0.62 H new ATOM 0 HA GLU A 79 -6.532 -17.554 -11.636 1.00 0.65 H new ATOM 0 HB2 GLU A 79 -3.705 -16.691 -12.357 1.00 0.65 H new ATOM 0 HB3 GLU A 79 -4.297 -18.339 -12.285 1.00 0.65 H new ATOM 0 HG2 GLU A 79 -5.992 -17.660 -14.086 1.00 0.85 H new ATOM 0 HG3 GLU A 79 -5.067 -16.182 -14.263 1.00 0.85 H new ATOM 1360 N LEU A 80 -4.660 -15.811 -9.638 1.00 0.66 N ATOM 1361 CA LEU A 80 -4.191 -15.709 -8.267 1.00 0.70 C ATOM 1362 C LEU A 80 -5.367 -15.635 -7.303 1.00 0.74 C ATOM 1363 O LEU A 80 -5.307 -16.160 -6.189 1.00 0.80 O ATOM 1364 CB LEU A 80 -3.295 -14.484 -8.129 1.00 0.71 C ATOM 1365 CG LEU A 80 -2.068 -14.503 -9.041 1.00 0.66 C ATOM 1366 CD1 LEU A 80 -1.425 -13.137 -9.111 1.00 0.97 C ATOM 1367 CD2 LEU A 80 -1.066 -15.534 -8.564 1.00 0.98 C ATOM 0 H LEU A 80 -4.574 -14.949 -10.176 1.00 0.66 H new ATOM 0 HA LEU A 80 -3.614 -16.599 -8.017 1.00 0.70 H new ATOM 0 HB2 LEU A 80 -3.882 -13.591 -8.346 1.00 0.71 H new ATOM 0 HB3 LEU A 80 -2.964 -14.404 -7.094 1.00 0.71 H new ATOM 0 HG LEU A 80 -2.398 -14.776 -10.043 1.00 0.66 H new ATOM 0 HD11 LEU A 80 -0.555 -13.178 -9.766 1.00 0.97 H new ATOM 0 HD12 LEU A 80 -2.142 -12.417 -9.505 1.00 0.97 H new ATOM 0 HD13 LEU A 80 -1.114 -12.830 -8.113 1.00 0.97 H new ATOM 0 HD21 LEU A 80 -0.200 -15.533 -9.226 1.00 0.98 H new ATOM 0 HD22 LEU A 80 -0.749 -15.291 -7.550 1.00 0.98 H new ATOM 0 HD23 LEU A 80 -1.528 -16.521 -8.573 1.00 0.98 H new ATOM 1379 N LYS A 81 -6.444 -14.994 -7.744 1.00 0.74 N ATOM 1380 CA LYS A 81 -7.656 -14.909 -6.946 1.00 0.79 C ATOM 1381 C LYS A 81 -8.297 -16.286 -6.813 1.00 0.77 C ATOM 1382 O LYS A 81 -8.653 -16.712 -5.712 1.00 0.79 O ATOM 1383 CB LYS A 81 -8.654 -13.927 -7.566 1.00 0.83 C ATOM 1384 CG LYS A 81 -9.916 -13.742 -6.735 1.00 1.18 C ATOM 1385 CD LYS A 81 -9.622 -13.045 -5.415 1.00 1.34 C ATOM 1386 CE LYS A 81 -10.853 -12.981 -4.521 1.00 1.68 C ATOM 1387 NZ LYS A 81 -12.009 -12.343 -5.203 1.00 2.12 N ATOM 0 H LYS A 81 -6.500 -14.527 -8.649 1.00 0.74 H new ATOM 0 HA LYS A 81 -7.384 -14.543 -5.956 1.00 0.79 H new ATOM 0 HB2 LYS A 81 -8.168 -12.960 -7.695 1.00 0.83 H new ATOM 0 HB3 LYS A 81 -8.931 -14.280 -8.559 1.00 0.83 H new ATOM 0 HG2 LYS A 81 -10.642 -13.159 -7.301 1.00 1.18 H new ATOM 0 HG3 LYS A 81 -10.370 -14.714 -6.541 1.00 1.18 H new ATOM 0 HD2 LYS A 81 -8.823 -13.574 -4.895 1.00 1.34 H new ATOM 0 HD3 LYS A 81 -9.262 -12.035 -5.610 1.00 1.34 H new ATOM 0 HE2 LYS A 81 -11.127 -13.989 -4.211 1.00 1.68 H new ATOM 0 HE3 LYS A 81 -10.614 -12.423 -3.616 1.00 1.68 H new ATOM 0 HZ1 LYS A 81 -12.772 -12.182 -4.515 1.00 2.12 H new ATOM 0 HZ2 LYS A 81 -11.713 -11.433 -5.610 1.00 2.12 H new ATOM 0 HZ3 LYS A 81 -12.352 -12.967 -5.961 1.00 2.12 H new ATOM 1401 N ASN A 82 -8.431 -16.988 -7.936 1.00 0.75 N ATOM 1402 CA ASN A 82 -9.008 -18.328 -7.916 1.00 0.75 C ATOM 1403 C ASN A 82 -8.046 -19.281 -7.224 1.00 0.74 C ATOM 1404 O ASN A 82 -8.481 -20.217 -6.565 1.00 0.80 O ATOM 1405 CB ASN A 82 -9.324 -18.818 -9.329 1.00 0.73 C ATOM 1406 CG ASN A 82 -10.116 -20.113 -9.334 1.00 0.87 C ATOM 1407 OD1 ASN A 82 -10.940 -20.355 -8.451 1.00 1.42 O ATOM 1408 ND2 ASN A 82 -9.871 -20.954 -10.328 1.00 1.54 N ATOM 0 H ASN A 82 -8.152 -16.656 -8.859 1.00 0.75 H new ATOM 0 HA ASN A 82 -9.947 -18.295 -7.364 1.00 0.75 H new ATOM 0 HB2 ASN A 82 -9.887 -18.050 -9.859 1.00 0.73 H new ATOM 0 HB3 ASN A 82 -8.392 -18.964 -9.876 1.00 0.73 H new ATOM 0 HD21 ASN A 82 -10.373 -21.840 -10.382 1.00 1.54 H new ATOM 0 HD22 ASN A 82 -9.180 -20.715 -11.040 1.00 1.54 H new ATOM 1415 N LEU A 83 -6.750 -19.057 -7.382 1.00 0.72 N ATOM 1416 CA LEU A 83 -5.769 -19.837 -6.657 1.00 0.72 C ATOM 1417 C LEU A 83 -6.088 -19.796 -5.168 1.00 0.74 C ATOM 1418 O LEU A 83 -6.296 -20.832 -4.534 1.00 0.77 O ATOM 1419 CB LEU A 83 -4.384 -19.262 -6.912 1.00 0.75 C ATOM 1420 CG LEU A 83 -3.402 -20.163 -7.669 1.00 0.73 C ATOM 1421 CD1 LEU A 83 -2.890 -21.284 -6.780 1.00 1.05 C ATOM 1422 CD2 LEU A 83 -4.046 -20.738 -8.924 1.00 1.37 C ATOM 0 H LEU A 83 -6.359 -18.347 -8.001 1.00 0.72 H new ATOM 0 HA LEU A 83 -5.795 -20.873 -6.996 1.00 0.72 H new ATOM 0 HB2 LEU A 83 -4.497 -18.334 -7.472 1.00 0.75 H new ATOM 0 HB3 LEU A 83 -3.939 -19.003 -5.951 1.00 0.75 H new ATOM 0 HG LEU A 83 -2.553 -19.547 -7.967 1.00 0.73 H new ATOM 0 HD11 LEU A 83 -2.195 -21.907 -7.344 1.00 1.05 H new ATOM 0 HD12 LEU A 83 -2.378 -20.859 -5.917 1.00 1.05 H new ATOM 0 HD13 LEU A 83 -3.729 -21.891 -6.441 1.00 1.05 H new ATOM 0 HD21 LEU A 83 -3.328 -21.374 -9.443 1.00 1.37 H new ATOM 0 HD22 LEU A 83 -4.919 -21.328 -8.647 1.00 1.37 H new ATOM 0 HD23 LEU A 83 -4.352 -19.924 -9.582 1.00 1.37 H new ATOM 1434 N LYS A 84 -6.139 -18.579 -4.637 1.00 0.76 N ATOM 1435 CA LYS A 84 -6.494 -18.333 -3.241 1.00 0.81 C ATOM 1436 C LYS A 84 -7.791 -19.052 -2.858 1.00 0.83 C ATOM 1437 O LYS A 84 -7.815 -19.843 -1.916 1.00 0.87 O ATOM 1438 CB LYS A 84 -6.645 -16.824 -3.024 1.00 0.88 C ATOM 1439 CG LYS A 84 -6.859 -16.411 -1.578 1.00 0.96 C ATOM 1440 CD LYS A 84 -7.038 -14.906 -1.466 1.00 1.19 C ATOM 1441 CE LYS A 84 -7.163 -14.460 -0.018 1.00 1.54 C ATOM 1442 NZ LYS A 84 -7.375 -12.993 0.095 1.00 2.27 N ATOM 0 H LYS A 84 -5.934 -17.730 -5.164 1.00 0.76 H new ATOM 0 HA LYS A 84 -5.701 -18.725 -2.605 1.00 0.81 H new ATOM 0 HB2 LYS A 84 -5.753 -16.325 -3.402 1.00 0.88 H new ATOM 0 HB3 LYS A 84 -7.486 -16.467 -3.618 1.00 0.88 H new ATOM 0 HG2 LYS A 84 -7.737 -16.917 -1.177 1.00 0.96 H new ATOM 0 HG3 LYS A 84 -6.007 -16.726 -0.975 1.00 0.96 H new ATOM 0 HD2 LYS A 84 -6.189 -14.403 -1.929 1.00 1.19 H new ATOM 0 HD3 LYS A 84 -7.928 -14.603 -2.018 1.00 1.19 H new ATOM 0 HE2 LYS A 84 -7.995 -14.984 0.453 1.00 1.54 H new ATOM 0 HE3 LYS A 84 -6.261 -14.739 0.527 1.00 1.54 H new ATOM 0 HZ1 LYS A 84 -7.455 -12.730 1.098 1.00 2.27 H new ATOM 0 HZ2 LYS A 84 -6.569 -12.492 -0.331 1.00 2.27 H new ATOM 0 HZ3 LYS A 84 -8.249 -12.729 -0.403 1.00 2.27 H new ATOM 1456 N ASP A 85 -8.852 -18.780 -3.608 1.00 0.84 N ATOM 1457 CA ASP A 85 -10.183 -19.347 -3.338 1.00 0.91 C ATOM 1458 C ASP A 85 -10.201 -20.872 -3.451 1.00 0.90 C ATOM 1459 O ASP A 85 -10.922 -21.544 -2.709 1.00 0.94 O ATOM 1460 CB ASP A 85 -11.200 -18.767 -4.319 1.00 0.98 C ATOM 1461 CG ASP A 85 -12.603 -19.292 -4.088 1.00 1.59 C ATOM 1462 OD1 ASP A 85 -13.294 -18.786 -3.180 1.00 1.48 O ATOM 1463 OD2 ASP A 85 -13.026 -20.203 -4.828 1.00 2.52 O ATOM 0 H ASP A 85 -8.823 -18.163 -4.420 1.00 0.84 H new ATOM 0 HA ASP A 85 -10.441 -19.082 -2.313 1.00 0.91 H new ATOM 0 HB2 ASP A 85 -11.204 -17.681 -4.231 1.00 0.98 H new ATOM 0 HB3 ASP A 85 -10.891 -19.003 -5.337 1.00 0.98 H new ATOM 1468 N SER A 86 -9.399 -21.419 -4.344 1.00 0.86 N ATOM 1469 CA SER A 86 -9.385 -22.859 -4.540 1.00 0.90 C ATOM 1470 C SER A 86 -8.480 -23.537 -3.510 1.00 0.84 C ATOM 1471 O SER A 86 -8.393 -24.763 -3.448 1.00 0.96 O ATOM 1472 CB SER A 86 -8.939 -23.196 -5.971 1.00 0.97 C ATOM 1473 OG SER A 86 -9.109 -24.574 -6.263 1.00 1.52 O ATOM 0 H SER A 86 -8.756 -20.898 -4.939 1.00 0.86 H new ATOM 0 HA SER A 86 -10.396 -23.240 -4.397 1.00 0.90 H new ATOM 0 HB2 SER A 86 -9.513 -22.600 -6.681 1.00 0.97 H new ATOM 0 HB3 SER A 86 -7.891 -22.923 -6.099 1.00 0.97 H new ATOM 0 HG SER A 86 -8.889 -25.106 -5.470 1.00 1.52 H new ATOM 1479 N GLY A 87 -7.821 -22.732 -2.694 1.00 0.80 N ATOM 1480 CA GLY A 87 -7.052 -23.269 -1.594 1.00 0.88 C ATOM 1481 C GLY A 87 -5.568 -23.117 -1.808 1.00 0.82 C ATOM 1482 O GLY A 87 -4.798 -24.042 -1.554 1.00 0.92 O ATOM 0 H GLY A 87 -7.805 -21.715 -2.774 1.00 0.80 H new ATOM 0 HA2 GLY A 87 -7.338 -22.763 -0.672 1.00 0.88 H new ATOM 0 HA3 GLY A 87 -7.293 -24.324 -1.466 1.00 0.88 H new ATOM 1486 N ALA A 88 -5.160 -21.956 -2.286 1.00 0.76 N ATOM 1487 CA ALA A 88 -3.746 -21.639 -2.309 1.00 0.76 C ATOM 1488 C ALA A 88 -3.353 -21.061 -0.971 1.00 0.80 C ATOM 1489 O ALA A 88 -3.888 -20.043 -0.529 1.00 0.83 O ATOM 1490 CB ALA A 88 -3.397 -20.670 -3.415 1.00 0.76 C ATOM 0 H ALA A 88 -5.774 -21.231 -2.656 1.00 0.76 H new ATOM 0 HA ALA A 88 -3.193 -22.558 -2.503 1.00 0.76 H new ATOM 0 HB1 ALA A 88 -2.327 -20.462 -3.393 1.00 0.76 H new ATOM 0 HB2 ALA A 88 -3.662 -21.106 -4.378 1.00 0.76 H new ATOM 0 HB3 ALA A 88 -3.950 -19.741 -3.273 1.00 0.76 H new ATOM 1496 N SER A 89 -2.425 -21.734 -0.336 1.00 0.81 N ATOM 1497 CA SER A 89 -1.896 -21.295 0.935 1.00 0.86 C ATOM 1498 C SER A 89 -0.991 -20.088 0.712 1.00 0.78 C ATOM 1499 O SER A 89 -0.762 -19.688 -0.435 1.00 0.77 O ATOM 1500 CB SER A 89 -1.135 -22.439 1.615 1.00 0.93 C ATOM 1501 OG SER A 89 -0.955 -22.191 3.001 1.00 1.60 O ATOM 0 H SER A 89 -2.015 -22.601 -0.684 1.00 0.81 H new ATOM 0 HA SER A 89 -2.714 -21.003 1.593 1.00 0.86 H new ATOM 0 HB2 SER A 89 -1.681 -23.372 1.479 1.00 0.93 H new ATOM 0 HB3 SER A 89 -0.163 -22.566 1.138 1.00 0.93 H new ATOM 0 HG SER A 89 -0.468 -22.939 3.407 1.00 1.60 H new ATOM 1507 N LYS A 90 -0.479 -19.514 1.787 1.00 0.76 N ATOM 1508 CA LYS A 90 0.336 -18.309 1.698 1.00 0.74 C ATOM 1509 C LYS A 90 1.515 -18.513 0.744 1.00 0.69 C ATOM 1510 O LYS A 90 1.864 -17.622 -0.031 1.00 0.67 O ATOM 1511 CB LYS A 90 0.827 -17.914 3.093 1.00 0.81 C ATOM 1512 CG LYS A 90 1.717 -16.682 3.112 1.00 1.29 C ATOM 1513 CD LYS A 90 1.955 -16.181 4.530 1.00 1.77 C ATOM 1514 CE LYS A 90 2.571 -17.250 5.421 1.00 2.22 C ATOM 1515 NZ LYS A 90 3.920 -17.668 4.956 1.00 2.96 N ATOM 0 H LYS A 90 -0.612 -19.863 2.736 1.00 0.76 H new ATOM 0 HA LYS A 90 -0.276 -17.501 1.297 1.00 0.74 H new ATOM 0 HB2 LYS A 90 -0.037 -17.735 3.733 1.00 0.81 H new ATOM 0 HB3 LYS A 90 1.375 -18.752 3.524 1.00 0.81 H new ATOM 0 HG2 LYS A 90 2.673 -16.916 2.644 1.00 1.29 H new ATOM 0 HG3 LYS A 90 1.257 -15.891 2.519 1.00 1.29 H new ATOM 0 HD2 LYS A 90 2.612 -15.312 4.501 1.00 1.77 H new ATOM 0 HD3 LYS A 90 1.009 -15.852 4.961 1.00 1.77 H new ATOM 0 HE2 LYS A 90 2.642 -16.872 6.441 1.00 2.22 H new ATOM 0 HE3 LYS A 90 1.914 -18.119 5.448 1.00 2.22 H new ATOM 0 HZ1 LYS A 90 4.318 -18.359 5.623 1.00 2.96 H new ATOM 0 HZ2 LYS A 90 3.844 -18.101 4.013 1.00 2.96 H new ATOM 0 HZ3 LYS A 90 4.543 -16.837 4.906 1.00 2.96 H new ATOM 1529 N GLU A 91 2.092 -19.704 0.776 1.00 0.71 N ATOM 1530 CA GLU A 91 3.271 -20.002 -0.015 1.00 0.70 C ATOM 1531 C GLU A 91 2.933 -20.158 -1.502 1.00 0.67 C ATOM 1532 O GLU A 91 3.673 -19.696 -2.354 1.00 0.67 O ATOM 1533 CB GLU A 91 3.942 -21.263 0.531 1.00 0.73 C ATOM 1534 CG GLU A 91 5.124 -21.750 -0.280 1.00 1.30 C ATOM 1535 CD GLU A 91 5.778 -22.959 0.347 1.00 1.74 C ATOM 1536 OE1 GLU A 91 5.275 -24.084 0.142 1.00 2.34 O ATOM 1537 OE2 GLU A 91 6.815 -22.795 1.026 1.00 2.10 O ATOM 0 H GLU A 91 1.759 -20.482 1.345 1.00 0.71 H new ATOM 0 HA GLU A 91 3.963 -19.163 0.064 1.00 0.70 H new ATOM 0 HB2 GLU A 91 4.273 -21.070 1.551 1.00 0.73 H new ATOM 0 HB3 GLU A 91 3.200 -22.060 0.582 1.00 0.73 H new ATOM 0 HG2 GLU A 91 4.794 -21.998 -1.289 1.00 1.30 H new ATOM 0 HG3 GLU A 91 5.856 -20.948 -0.372 1.00 1.30 H new ATOM 1544 N GLU A 92 1.837 -20.846 -1.799 1.00 0.66 N ATOM 1545 CA GLU A 92 1.334 -21.011 -3.149 1.00 0.65 C ATOM 1546 C GLU A 92 1.151 -19.673 -3.820 1.00 0.60 C ATOM 1547 O GLU A 92 1.527 -19.495 -4.965 1.00 0.57 O ATOM 1548 CB GLU A 92 0.008 -21.737 -3.095 1.00 0.69 C ATOM 1549 CG GLU A 92 0.143 -23.114 -2.519 1.00 0.74 C ATOM 1550 CD GLU A 92 -1.132 -23.918 -2.584 1.00 1.06 C ATOM 1551 OE1 GLU A 92 -1.504 -24.367 -3.686 1.00 1.10 O ATOM 1552 OE2 GLU A 92 -1.764 -24.105 -1.525 1.00 1.45 O ATOM 0 H GLU A 92 1.266 -21.311 -1.093 1.00 0.66 H new ATOM 0 HA GLU A 92 2.055 -21.588 -3.727 1.00 0.65 H new ATOM 0 HB2 GLU A 92 -0.696 -21.161 -2.495 1.00 0.69 H new ATOM 0 HB3 GLU A 92 -0.409 -21.804 -4.100 1.00 0.69 H new ATOM 0 HG2 GLU A 92 0.928 -23.648 -3.054 1.00 0.74 H new ATOM 0 HG3 GLU A 92 0.462 -23.035 -1.480 1.00 0.74 H new ATOM 1559 N LEU A 93 0.620 -18.729 -3.071 1.00 0.61 N ATOM 1560 CA LEU A 93 0.516 -17.361 -3.573 1.00 0.60 C ATOM 1561 C LEU A 93 1.907 -16.771 -3.644 1.00 0.61 C ATOM 1562 O LEU A 93 2.192 -16.040 -4.582 1.00 0.64 O ATOM 1563 CB LEU A 93 -0.444 -16.516 -2.740 1.00 0.64 C ATOM 1564 CG LEU A 93 -1.915 -16.927 -2.873 1.00 0.69 C ATOM 1565 CD1 LEU A 93 -2.828 -15.814 -2.407 1.00 1.08 C ATOM 1566 CD2 LEU A 93 -2.247 -17.312 -4.310 1.00 1.07 C ATOM 0 H LEU A 93 0.258 -18.872 -2.128 1.00 0.61 H new ATOM 0 HA LEU A 93 0.086 -17.370 -4.575 1.00 0.60 H new ATOM 0 HB2 LEU A 93 -0.153 -16.581 -1.692 1.00 0.64 H new ATOM 0 HB3 LEU A 93 -0.341 -15.472 -3.035 1.00 0.64 H new ATOM 0 HG LEU A 93 -2.075 -17.798 -2.238 1.00 0.69 H new ATOM 0 HD11 LEU A 93 -3.867 -16.128 -2.510 1.00 1.08 H new ATOM 0 HD12 LEU A 93 -2.620 -15.587 -1.361 1.00 1.08 H new ATOM 0 HD13 LEU A 93 -2.656 -14.924 -3.013 1.00 1.08 H new ATOM 0 HD21 LEU A 93 -3.296 -17.599 -4.377 1.00 1.07 H new ATOM 0 HD22 LEU A 93 -2.061 -16.462 -4.967 1.00 1.07 H new ATOM 0 HD23 LEU A 93 -1.621 -18.150 -4.616 1.00 1.07 H new ATOM 1578 N LYS A 94 2.791 -17.088 -2.726 1.00 0.61 N ATOM 1579 CA LYS A 94 4.121 -16.510 -2.751 1.00 0.61 C ATOM 1580 C LYS A 94 4.867 -16.996 -3.980 1.00 0.66 C ATOM 1581 O LYS A 94 5.541 -16.225 -4.663 1.00 0.72 O ATOM 1582 CB LYS A 94 4.889 -16.882 -1.483 1.00 0.64 C ATOM 1583 CG LYS A 94 6.269 -16.253 -1.392 1.00 0.69 C ATOM 1584 CD LYS A 94 6.982 -16.660 -0.113 1.00 1.16 C ATOM 1585 CE LYS A 94 8.386 -16.084 -0.045 1.00 1.38 C ATOM 1586 NZ LYS A 94 9.230 -16.541 -1.181 1.00 2.06 N ATOM 0 H LYS A 94 2.619 -17.737 -1.958 1.00 0.61 H new ATOM 0 HA LYS A 94 4.034 -15.424 -2.793 1.00 0.61 H new ATOM 0 HB2 LYS A 94 4.305 -16.579 -0.614 1.00 0.64 H new ATOM 0 HB3 LYS A 94 4.991 -17.966 -1.437 1.00 0.64 H new ATOM 0 HG2 LYS A 94 6.865 -16.554 -2.254 1.00 0.69 H new ATOM 0 HG3 LYS A 94 6.179 -15.167 -1.430 1.00 0.69 H new ATOM 0 HD2 LYS A 94 6.407 -16.320 0.748 1.00 1.16 H new ATOM 0 HD3 LYS A 94 7.031 -17.747 -0.054 1.00 1.16 H new ATOM 0 HE2 LYS A 94 8.332 -14.995 -0.048 1.00 1.38 H new ATOM 0 HE3 LYS A 94 8.853 -16.377 0.895 1.00 1.38 H new ATOM 0 HZ1 LYS A 94 10.230 -16.343 -0.972 1.00 2.06 H new ATOM 0 HZ2 LYS A 94 9.101 -17.564 -1.320 1.00 2.06 H new ATOM 0 HZ3 LYS A 94 8.951 -16.036 -2.046 1.00 2.06 H new ATOM 1600 N ALA A 95 4.701 -18.273 -4.270 1.00 0.67 N ATOM 1601 CA ALA A 95 5.418 -18.900 -5.356 1.00 0.73 C ATOM 1602 C ALA A 95 4.699 -18.737 -6.685 1.00 0.73 C ATOM 1603 O ALA A 95 5.270 -18.948 -7.756 1.00 0.93 O ATOM 1604 CB ALA A 95 5.684 -20.358 -5.061 1.00 0.77 C ATOM 0 H ALA A 95 4.072 -18.896 -3.764 1.00 0.67 H new ATOM 0 HA ALA A 95 6.376 -18.388 -5.444 1.00 0.73 H new ATOM 0 HB1 ALA A 95 6.225 -20.805 -5.895 1.00 0.77 H new ATOM 0 HB2 ALA A 95 6.282 -20.442 -4.154 1.00 0.77 H new ATOM 0 HB3 ALA A 95 4.737 -20.880 -4.921 1.00 0.77 H new ATOM 1610 N LYS A 96 3.427 -18.354 -6.582 1.00 0.70 N ATOM 1611 CA LYS A 96 2.715 -17.857 -7.750 1.00 0.76 C ATOM 1612 C LYS A 96 3.209 -16.469 -8.150 1.00 0.58 C ATOM 1613 O LYS A 96 3.754 -16.271 -9.237 1.00 0.55 O ATOM 1614 CB LYS A 96 1.209 -17.825 -7.498 1.00 1.02 C ATOM 1615 CG LYS A 96 0.519 -19.173 -7.650 1.00 1.75 C ATOM 1616 CD LYS A 96 0.698 -19.751 -9.046 1.00 2.07 C ATOM 1617 CE LYS A 96 -0.026 -21.078 -9.188 1.00 2.92 C ATOM 1618 NZ LYS A 96 0.194 -21.693 -10.520 1.00 3.11 N ATOM 0 H LYS A 96 2.881 -18.378 -5.721 1.00 0.70 H new ATOM 0 HA LYS A 96 2.917 -18.543 -8.572 1.00 0.76 H new ATOM 0 HB2 LYS A 96 1.029 -17.450 -6.491 1.00 1.02 H new ATOM 0 HB3 LYS A 96 0.752 -17.116 -8.189 1.00 1.02 H new ATOM 0 HG2 LYS A 96 0.920 -19.871 -6.915 1.00 1.75 H new ATOM 0 HG3 LYS A 96 -0.544 -19.062 -7.437 1.00 1.75 H new ATOM 0 HD2 LYS A 96 0.319 -19.046 -9.786 1.00 2.07 H new ATOM 0 HD3 LYS A 96 1.759 -19.889 -9.252 1.00 2.07 H new ATOM 0 HE2 LYS A 96 0.317 -21.762 -8.412 1.00 2.92 H new ATOM 0 HE3 LYS A 96 -1.094 -20.927 -9.031 1.00 2.92 H new ATOM 0 HZ1 LYS A 96 -0.318 -22.597 -10.574 1.00 3.11 H new ATOM 0 HZ2 LYS A 96 -0.156 -21.052 -11.260 1.00 3.11 H new ATOM 0 HZ3 LYS A 96 1.210 -21.862 -10.661 1.00 3.11 H new ATOM 1632 N VAL A 97 2.985 -15.516 -7.243 1.00 0.62 N ATOM 1633 CA VAL A 97 3.255 -14.103 -7.482 1.00 0.57 C ATOM 1634 C VAL A 97 4.657 -13.839 -8.033 1.00 0.54 C ATOM 1635 O VAL A 97 4.815 -13.013 -8.929 1.00 0.59 O ATOM 1636 CB VAL A 97 3.042 -13.288 -6.193 1.00 0.60 C ATOM 1637 CG1 VAL A 97 3.349 -11.825 -6.420 1.00 0.97 C ATOM 1638 CG2 VAL A 97 1.618 -13.456 -5.700 1.00 0.93 C ATOM 0 H VAL A 97 2.608 -15.708 -6.315 1.00 0.62 H new ATOM 0 HA VAL A 97 2.547 -13.784 -8.247 1.00 0.57 H new ATOM 0 HB VAL A 97 3.728 -13.664 -5.434 1.00 0.60 H new ATOM 0 HG11 VAL A 97 3.191 -11.272 -5.494 1.00 0.97 H new ATOM 0 HG12 VAL A 97 4.387 -11.716 -6.735 1.00 0.97 H new ATOM 0 HG13 VAL A 97 2.691 -11.431 -7.195 1.00 0.97 H new ATOM 0 HG21 VAL A 97 1.478 -12.876 -4.788 1.00 0.93 H new ATOM 0 HG22 VAL A 97 0.925 -13.104 -6.464 1.00 0.93 H new ATOM 0 HG23 VAL A 97 1.426 -14.509 -5.493 1.00 0.93 H new ATOM 1648 N GLU A 98 5.665 -14.535 -7.519 1.00 0.53 N ATOM 1649 CA GLU A 98 7.032 -14.337 -7.996 1.00 0.57 C ATOM 1650 C GLU A 98 7.133 -14.614 -9.492 1.00 0.52 C ATOM 1651 O GLU A 98 7.765 -13.860 -10.232 1.00 0.53 O ATOM 1652 CB GLU A 98 8.019 -15.226 -7.239 1.00 0.68 C ATOM 1653 CG GLU A 98 8.133 -14.895 -5.761 1.00 0.81 C ATOM 1654 CD GLU A 98 8.396 -13.424 -5.508 1.00 1.31 C ATOM 1655 OE1 GLU A 98 9.422 -12.902 -5.986 1.00 1.65 O ATOM 1656 OE2 GLU A 98 7.570 -12.780 -4.826 1.00 2.03 O ATOM 0 H GLU A 98 5.566 -15.233 -6.782 1.00 0.53 H new ATOM 0 HA GLU A 98 7.291 -13.295 -7.811 1.00 0.57 H new ATOM 0 HB2 GLU A 98 7.712 -16.266 -7.346 1.00 0.68 H new ATOM 0 HB3 GLU A 98 9.003 -15.135 -7.699 1.00 0.68 H new ATOM 0 HG2 GLU A 98 7.212 -15.187 -5.256 1.00 0.81 H new ATOM 0 HG3 GLU A 98 8.938 -15.484 -5.322 1.00 0.81 H new ATOM 1663 N GLU A 99 6.474 -15.672 -9.939 1.00 0.49 N ATOM 1664 CA GLU A 99 6.499 -16.046 -11.344 1.00 0.49 C ATOM 1665 C GLU A 99 5.652 -15.083 -12.156 1.00 0.48 C ATOM 1666 O GLU A 99 6.002 -14.727 -13.278 1.00 0.51 O ATOM 1667 CB GLU A 99 5.999 -17.480 -11.524 1.00 0.52 C ATOM 1668 CG GLU A 99 6.801 -18.500 -10.732 1.00 0.91 C ATOM 1669 CD GLU A 99 8.252 -18.568 -11.161 1.00 1.68 C ATOM 1670 OE1 GLU A 99 9.061 -17.737 -10.696 1.00 2.48 O ATOM 1671 OE2 GLU A 99 8.601 -19.463 -11.957 1.00 1.82 O ATOM 0 H GLU A 99 5.915 -16.287 -9.348 1.00 0.49 H new ATOM 0 HA GLU A 99 7.527 -15.993 -11.701 1.00 0.49 H new ATOM 0 HB2 GLU A 99 4.954 -17.534 -11.219 1.00 0.52 H new ATOM 0 HB3 GLU A 99 6.037 -17.740 -12.582 1.00 0.52 H new ATOM 0 HG2 GLU A 99 6.752 -18.250 -9.672 1.00 0.91 H new ATOM 0 HG3 GLU A 99 6.346 -19.483 -10.849 1.00 0.91 H new ATOM 1678 N ALA A 100 4.554 -14.634 -11.560 1.00 0.49 N ATOM 1679 CA ALA A 100 3.673 -13.680 -12.206 1.00 0.55 C ATOM 1680 C ALA A 100 4.391 -12.349 -12.414 1.00 0.54 C ATOM 1681 O ALA A 100 4.288 -11.731 -13.474 1.00 0.58 O ATOM 1682 CB ALA A 100 2.418 -13.495 -11.364 1.00 0.63 C ATOM 0 H ALA A 100 4.255 -14.919 -10.627 1.00 0.49 H new ATOM 0 HA ALA A 100 3.385 -14.061 -13.186 1.00 0.55 H new ATOM 0 HB1 ALA A 100 1.756 -12.778 -11.850 1.00 0.63 H new ATOM 0 HB2 ALA A 100 1.905 -14.451 -11.261 1.00 0.63 H new ATOM 0 HB3 ALA A 100 2.694 -13.123 -10.377 1.00 0.63 H new ATOM 1688 N LEU A 101 5.132 -11.926 -11.399 1.00 0.51 N ATOM 1689 CA LEU A 101 5.888 -10.680 -11.455 1.00 0.53 C ATOM 1690 C LEU A 101 7.116 -10.797 -12.342 1.00 0.51 C ATOM 1691 O LEU A 101 7.690 -9.790 -12.746 1.00 0.53 O ATOM 1692 CB LEU A 101 6.315 -10.249 -10.056 1.00 0.53 C ATOM 1693 CG LEU A 101 5.179 -9.823 -9.128 1.00 0.66 C ATOM 1694 CD1 LEU A 101 5.720 -9.508 -7.746 1.00 1.40 C ATOM 1695 CD2 LEU A 101 4.448 -8.616 -9.698 1.00 1.28 C ATOM 0 H LEU A 101 5.227 -12.432 -10.519 1.00 0.51 H new ATOM 0 HA LEU A 101 5.227 -9.928 -11.886 1.00 0.53 H new ATOM 0 HB2 LEU A 101 6.854 -11.073 -9.589 1.00 0.53 H new ATOM 0 HB3 LEU A 101 7.017 -9.420 -10.148 1.00 0.53 H new ATOM 0 HG LEU A 101 4.471 -10.648 -9.047 1.00 0.66 H new ATOM 0 HD11 LEU A 101 4.900 -9.206 -7.095 1.00 1.40 H new ATOM 0 HD12 LEU A 101 6.203 -10.394 -7.334 1.00 1.40 H new ATOM 0 HD13 LEU A 101 6.446 -8.698 -7.815 1.00 1.40 H new ATOM 0 HD21 LEU A 101 3.642 -8.327 -9.023 1.00 1.28 H new ATOM 0 HD22 LEU A 101 5.146 -7.786 -9.807 1.00 1.28 H new ATOM 0 HD23 LEU A 101 4.032 -8.870 -10.673 1.00 1.28 H new ATOM 1707 N HIS A 102 7.552 -12.012 -12.628 1.00 0.51 N ATOM 1708 CA HIS A 102 8.658 -12.176 -13.554 1.00 0.53 C ATOM 1709 C HIS A 102 8.124 -12.207 -14.978 1.00 0.56 C ATOM 1710 O HIS A 102 8.659 -11.527 -15.855 1.00 0.57 O ATOM 1711 CB HIS A 102 9.488 -13.419 -13.239 1.00 0.55 C ATOM 1712 CG HIS A 102 10.512 -13.209 -12.163 1.00 1.07 C ATOM 1713 ND1 HIS A 102 11.595 -12.372 -12.307 1.00 1.95 N ATOM 1714 CD2 HIS A 102 10.616 -13.737 -10.918 1.00 1.39 C ATOM 1715 CE1 HIS A 102 12.319 -12.393 -11.203 1.00 2.48 C ATOM 1716 NE2 HIS A 102 11.747 -13.213 -10.343 1.00 2.14 N ATOM 0 H HIS A 102 7.170 -12.877 -12.245 1.00 0.51 H new ATOM 0 HA HIS A 102 9.330 -11.325 -13.445 1.00 0.53 H new ATOM 0 HB2 HIS A 102 8.818 -14.224 -12.937 1.00 0.55 H new ATOM 0 HB3 HIS A 102 9.992 -13.747 -14.148 1.00 0.55 H new ATOM 0 HD2 HIS A 102 9.934 -14.440 -10.463 1.00 1.39 H new ATOM 0 HE1 HIS A 102 13.227 -11.833 -11.033 1.00 2.48 H new ATOM 0 HE2 HIS A 102 12.089 -13.423 -9.405 1.00 2.14 H new ATOM 1725 N ALA A 103 7.096 -13.017 -15.218 1.00 0.58 N ATOM 1726 CA ALA A 103 6.583 -13.262 -16.567 1.00 0.61 C ATOM 1727 C ALA A 103 5.989 -12.008 -17.234 1.00 0.61 C ATOM 1728 O ALA A 103 5.461 -12.091 -18.345 1.00 0.64 O ATOM 1729 CB ALA A 103 5.560 -14.383 -16.516 1.00 0.63 C ATOM 0 H ALA A 103 6.595 -13.522 -14.487 1.00 0.58 H new ATOM 0 HA ALA A 103 7.429 -13.553 -17.190 1.00 0.61 H new ATOM 0 HB1 ALA A 103 5.175 -14.570 -17.518 1.00 0.63 H new ATOM 0 HB2 ALA A 103 6.031 -15.289 -16.134 1.00 0.63 H new ATOM 0 HB3 ALA A 103 4.739 -14.097 -15.859 1.00 0.63 H new ATOM 1735 N VAL A 104 6.053 -10.867 -16.568 1.00 0.60 N ATOM 1736 CA VAL A 104 5.638 -9.618 -17.149 1.00 0.63 C ATOM 1737 C VAL A 104 6.846 -8.881 -17.739 1.00 0.76 C ATOM 1738 O VAL A 104 7.962 -8.984 -17.229 1.00 1.68 O ATOM 1739 CB VAL A 104 4.928 -8.764 -16.087 1.00 0.57 C ATOM 1740 CG1 VAL A 104 5.740 -8.716 -14.826 1.00 0.60 C ATOM 1741 CG2 VAL A 104 4.647 -7.362 -16.587 1.00 0.51 C ATOM 0 H VAL A 104 6.395 -10.789 -15.610 1.00 0.60 H new ATOM 0 HA VAL A 104 4.936 -9.810 -17.960 1.00 0.63 H new ATOM 0 HB VAL A 104 3.968 -9.235 -15.875 1.00 0.57 H new ATOM 0 HG11 VAL A 104 5.224 -8.107 -14.084 1.00 0.60 H new ATOM 0 HG12 VAL A 104 5.871 -9.727 -14.439 1.00 0.60 H new ATOM 0 HG13 VAL A 104 6.716 -8.279 -15.038 1.00 0.60 H new ATOM 0 HG21 VAL A 104 4.144 -6.791 -15.806 1.00 0.51 H new ATOM 0 HG22 VAL A 104 5.586 -6.873 -16.846 1.00 0.51 H new ATOM 0 HG23 VAL A 104 4.008 -7.411 -17.469 1.00 0.51 H new ATOM 1751 N THR A 105 6.605 -8.128 -18.800 1.00 0.77 N ATOM 1752 CA THR A 105 7.704 -7.445 -19.480 1.00 0.79 C ATOM 1753 C THR A 105 7.296 -6.104 -20.073 1.00 0.75 C ATOM 1754 O THR A 105 8.066 -5.504 -20.821 1.00 0.95 O ATOM 1755 CB THR A 105 8.285 -8.319 -20.614 1.00 0.94 C ATOM 1756 OG1 THR A 105 7.216 -8.876 -21.387 1.00 0.88 O ATOM 1757 CG2 THR A 105 9.166 -9.437 -20.075 1.00 1.03 C ATOM 0 H THR A 105 5.682 -7.973 -19.205 1.00 0.77 H new ATOM 0 HA THR A 105 8.456 -7.268 -18.711 1.00 0.79 H new ATOM 0 HB THR A 105 8.907 -7.681 -21.241 1.00 0.94 H new ATOM 0 HG1 THR A 105 7.586 -9.429 -22.107 1.00 0.88 H new ATOM 0 HG21 THR A 105 9.554 -10.027 -20.905 1.00 1.03 H new ATOM 0 HG22 THR A 105 9.997 -9.008 -19.516 1.00 1.03 H new ATOM 0 HG23 THR A 105 8.579 -10.078 -19.417 1.00 1.03 H new ATOM 1765 N ASP A 106 6.120 -5.608 -19.745 1.00 0.77 N ATOM 1766 CA ASP A 106 5.768 -4.254 -20.143 1.00 0.79 C ATOM 1767 C ASP A 106 6.322 -3.268 -19.131 1.00 0.73 C ATOM 1768 O ASP A 106 6.067 -3.381 -17.932 1.00 0.72 O ATOM 1769 CB ASP A 106 4.256 -4.072 -20.219 1.00 0.79 C ATOM 1770 CG ASP A 106 3.856 -2.900 -21.090 1.00 1.35 C ATOM 1771 OD1 ASP A 106 3.732 -3.077 -22.318 1.00 1.38 O ATOM 1772 OD2 ASP A 106 3.651 -1.798 -20.550 1.00 2.07 O ATOM 0 H ASP A 106 5.404 -6.106 -19.216 1.00 0.77 H new ATOM 0 HA ASP A 106 6.194 -4.075 -21.130 1.00 0.79 H new ATOM 0 HB2 ASP A 106 3.803 -4.983 -20.611 1.00 0.79 H new ATOM 0 HB3 ASP A 106 3.860 -3.926 -19.214 1.00 0.79 H new ATOM 1777 N GLU A 107 7.109 -2.326 -19.630 1.00 0.71 N ATOM 1778 CA GLU A 107 7.999 -1.518 -18.803 1.00 0.69 C ATOM 1779 C GLU A 107 7.279 -0.780 -17.682 1.00 0.66 C ATOM 1780 O GLU A 107 7.721 -0.812 -16.532 1.00 0.63 O ATOM 1781 CB GLU A 107 8.774 -0.523 -19.667 1.00 0.73 C ATOM 1782 CG GLU A 107 9.731 0.348 -18.868 1.00 1.63 C ATOM 1783 CD GLU A 107 10.713 1.085 -19.748 1.00 2.35 C ATOM 1784 OE1 GLU A 107 11.762 0.500 -20.080 1.00 2.65 O ATOM 1785 OE2 GLU A 107 10.442 2.244 -20.114 1.00 3.18 O ATOM 0 H GLU A 107 7.150 -2.098 -20.623 1.00 0.71 H new ATOM 0 HA GLU A 107 8.689 -2.215 -18.328 1.00 0.69 H new ATOM 0 HB2 GLU A 107 9.337 -1.070 -20.423 1.00 0.73 H new ATOM 0 HB3 GLU A 107 8.067 0.116 -20.196 1.00 0.73 H new ATOM 0 HG2 GLU A 107 9.159 1.069 -18.284 1.00 1.63 H new ATOM 0 HG3 GLU A 107 10.278 -0.274 -18.160 1.00 1.63 H new ATOM 1792 N GLU A 108 6.167 -0.140 -18.011 1.00 0.67 N ATOM 1793 CA GLU A 108 5.424 0.633 -17.027 1.00 0.66 C ATOM 1794 C GLU A 108 4.836 -0.271 -15.942 1.00 0.58 C ATOM 1795 O GLU A 108 4.552 0.187 -14.836 1.00 0.54 O ATOM 1796 CB GLU A 108 4.347 1.485 -17.709 1.00 0.76 C ATOM 1797 CG GLU A 108 3.389 0.718 -18.609 1.00 1.46 C ATOM 1798 CD GLU A 108 2.100 0.349 -17.911 1.00 2.09 C ATOM 1799 OE1 GLU A 108 1.441 1.250 -17.358 1.00 2.40 O ATOM 1800 OE2 GLU A 108 1.735 -0.842 -17.905 1.00 2.78 O ATOM 0 H GLU A 108 5.761 -0.140 -18.947 1.00 0.67 H new ATOM 0 HA GLU A 108 6.117 1.314 -16.532 1.00 0.66 H new ATOM 0 HB2 GLU A 108 3.768 1.995 -16.939 1.00 0.76 H new ATOM 0 HB3 GLU A 108 4.838 2.257 -18.302 1.00 0.76 H new ATOM 0 HG2 GLU A 108 3.161 1.321 -19.488 1.00 1.46 H new ATOM 0 HG3 GLU A 108 3.878 -0.189 -18.963 1.00 1.46 H new ATOM 1807 N LYS A 109 4.666 -1.554 -16.252 1.00 0.59 N ATOM 1808 CA LYS A 109 4.247 -2.551 -15.277 1.00 0.55 C ATOM 1809 C LYS A 109 5.425 -2.945 -14.382 1.00 0.51 C ATOM 1810 O LYS A 109 5.300 -3.040 -13.158 1.00 0.48 O ATOM 1811 CB LYS A 109 3.678 -3.771 -16.010 1.00 0.58 C ATOM 1812 CG LYS A 109 2.432 -3.441 -16.812 1.00 0.65 C ATOM 1813 CD LYS A 109 1.919 -4.619 -17.617 1.00 1.22 C ATOM 1814 CE LYS A 109 0.708 -4.220 -18.449 1.00 1.11 C ATOM 1815 NZ LYS A 109 0.981 -3.022 -19.296 1.00 1.81 N ATOM 0 H LYS A 109 4.816 -1.930 -17.188 1.00 0.59 H new ATOM 0 HA LYS A 109 3.469 -2.133 -14.638 1.00 0.55 H new ATOM 0 HB2 LYS A 109 4.438 -4.177 -16.677 1.00 0.58 H new ATOM 0 HB3 LYS A 109 3.443 -4.549 -15.284 1.00 0.58 H new ATOM 0 HG2 LYS A 109 1.649 -3.102 -16.134 1.00 0.65 H new ATOM 0 HG3 LYS A 109 2.649 -2.613 -17.487 1.00 0.65 H new ATOM 0 HD2 LYS A 109 2.709 -4.990 -18.271 1.00 1.22 H new ATOM 0 HD3 LYS A 109 1.652 -5.435 -16.946 1.00 1.22 H new ATOM 0 HE2 LYS A 109 0.415 -5.055 -19.086 1.00 1.11 H new ATOM 0 HE3 LYS A 109 -0.133 -4.012 -17.788 1.00 1.11 H new ATOM 0 HZ1 LYS A 109 0.323 -3.009 -20.101 1.00 1.81 H new ATOM 0 HZ2 LYS A 109 0.852 -2.160 -18.729 1.00 1.81 H new ATOM 0 HZ3 LYS A 109 1.959 -3.061 -19.648 1.00 1.81 H new ATOM 1829 N LYS A 110 6.585 -3.134 -14.997 1.00 0.53 N ATOM 1830 CA LYS A 110 7.794 -3.500 -14.259 1.00 0.53 C ATOM 1831 C LYS A 110 8.290 -2.347 -13.381 1.00 0.51 C ATOM 1832 O LYS A 110 9.137 -2.520 -12.503 1.00 0.51 O ATOM 1833 CB LYS A 110 8.913 -3.906 -15.220 1.00 0.56 C ATOM 1834 CG LYS A 110 8.608 -5.130 -16.068 1.00 0.62 C ATOM 1835 CD LYS A 110 9.826 -5.550 -16.879 1.00 0.80 C ATOM 1836 CE LYS A 110 10.220 -4.492 -17.900 1.00 0.81 C ATOM 1837 NZ LYS A 110 11.488 -4.832 -18.596 1.00 1.14 N ATOM 0 H LYS A 110 6.718 -3.041 -16.004 1.00 0.53 H new ATOM 0 HA LYS A 110 7.532 -4.343 -13.620 1.00 0.53 H new ATOM 0 HB2 LYS A 110 9.128 -3.067 -15.881 1.00 0.56 H new ATOM 0 HB3 LYS A 110 9.818 -4.097 -14.643 1.00 0.56 H new ATOM 0 HG2 LYS A 110 8.293 -5.952 -15.426 1.00 0.62 H new ATOM 0 HG3 LYS A 110 7.777 -4.914 -16.739 1.00 0.62 H new ATOM 0 HD2 LYS A 110 10.664 -5.735 -16.207 1.00 0.80 H new ATOM 0 HD3 LYS A 110 9.615 -6.489 -17.392 1.00 0.80 H new ATOM 0 HE2 LYS A 110 9.422 -4.382 -18.634 1.00 0.81 H new ATOM 0 HE3 LYS A 110 10.328 -3.529 -17.401 1.00 0.81 H new ATOM 0 HZ1 LYS A 110 11.719 -4.085 -19.282 1.00 1.14 H new ATOM 0 HZ2 LYS A 110 12.256 -4.911 -17.899 1.00 1.14 H new ATOM 0 HZ3 LYS A 110 11.378 -5.738 -19.095 1.00 1.14 H new ATOM 1851 N GLN A 111 7.734 -1.175 -13.644 1.00 0.51 N ATOM 1852 CA GLN A 111 7.916 -0.040 -12.747 1.00 0.51 C ATOM 1853 C GLN A 111 7.249 -0.315 -11.401 1.00 0.50 C ATOM 1854 O GLN A 111 7.811 -0.024 -10.350 1.00 0.51 O ATOM 1855 CB GLN A 111 7.366 1.245 -13.369 1.00 0.52 C ATOM 1856 CG GLN A 111 8.112 1.679 -14.623 1.00 1.08 C ATOM 1857 CD GLN A 111 9.597 1.867 -14.377 1.00 1.23 C ATOM 1858 OE1 GLN A 111 10.044 2.958 -14.024 1.00 1.69 O ATOM 1859 NE2 GLN A 111 10.370 0.809 -14.569 1.00 1.61 N ATOM 0 H GLN A 111 7.157 -0.983 -14.463 1.00 0.51 H new ATOM 0 HA GLN A 111 8.985 0.098 -12.584 1.00 0.51 H new ATOM 0 HB2 GLN A 111 6.314 1.100 -13.614 1.00 0.52 H new ATOM 0 HB3 GLN A 111 7.414 2.046 -12.631 1.00 0.52 H new ATOM 0 HG2 GLN A 111 7.968 0.933 -15.405 1.00 1.08 H new ATOM 0 HG3 GLN A 111 7.686 2.613 -14.991 1.00 1.08 H new ATOM 0 HE21 GLN A 111 9.958 -0.077 -14.862 1.00 1.61 H new ATOM 0 HE22 GLN A 111 11.377 0.880 -14.424 1.00 1.61 H new ATOM 1868 N TYR A 112 6.073 -0.936 -11.439 1.00 0.50 N ATOM 1869 CA TYR A 112 5.357 -1.296 -10.215 1.00 0.49 C ATOM 1870 C TYR A 112 6.096 -2.402 -9.497 1.00 0.49 C ATOM 1871 O TYR A 112 6.107 -2.460 -8.273 1.00 0.50 O ATOM 1872 CB TYR A 112 3.923 -1.731 -10.515 1.00 0.49 C ATOM 1873 CG TYR A 112 3.041 -0.591 -10.955 1.00 0.57 C ATOM 1874 CD1 TYR A 112 2.870 0.532 -10.158 1.00 0.70 C ATOM 1875 CD2 TYR A 112 2.375 -0.644 -12.171 1.00 0.66 C ATOM 1876 CE1 TYR A 112 2.054 1.573 -10.564 1.00 0.82 C ATOM 1877 CE2 TYR A 112 1.559 0.389 -12.583 1.00 0.75 C ATOM 1878 CZ TYR A 112 1.433 1.530 -11.749 1.00 0.80 C ATOM 1879 OH TYR A 112 0.583 2.521 -12.188 1.00 0.92 O ATOM 0 H TYR A 112 5.595 -1.200 -12.301 1.00 0.50 H new ATOM 0 HA TYR A 112 5.311 -0.414 -9.576 1.00 0.49 H new ATOM 0 HB2 TYR A 112 3.936 -2.494 -11.293 1.00 0.49 H new ATOM 0 HB3 TYR A 112 3.495 -2.191 -9.624 1.00 0.49 H new ATOM 0 HD1 TYR A 112 3.381 0.594 -9.208 1.00 0.70 H new ATOM 0 HD2 TYR A 112 2.498 -1.509 -12.806 1.00 0.66 H new ATOM 0 HE1 TYR A 112 1.917 2.428 -9.919 1.00 0.82 H new ATOM 0 HE2 TYR A 112 1.027 0.331 -13.521 1.00 0.75 H new ATOM 0 HH TYR A 112 0.242 2.289 -13.077 1.00 0.92 H new ATOM 1889 N ILE A 113 6.728 -3.271 -10.270 1.00 0.49 N ATOM 1890 CA ILE A 113 7.529 -4.344 -9.700 1.00 0.51 C ATOM 1891 C ILE A 113 8.703 -3.790 -8.877 1.00 0.53 C ATOM 1892 O ILE A 113 8.950 -4.224 -7.754 1.00 0.54 O ATOM 1893 CB ILE A 113 8.087 -5.263 -10.791 1.00 0.57 C ATOM 1894 CG1 ILE A 113 6.947 -5.806 -11.640 1.00 0.63 C ATOM 1895 CG2 ILE A 113 8.886 -6.403 -10.171 1.00 0.59 C ATOM 1896 CD1 ILE A 113 7.417 -6.718 -12.736 1.00 0.72 C ATOM 0 H ILE A 113 6.703 -3.255 -11.290 1.00 0.49 H new ATOM 0 HA ILE A 113 6.867 -4.914 -9.049 1.00 0.51 H new ATOM 0 HB ILE A 113 8.758 -4.688 -11.430 1.00 0.57 H new ATOM 0 HG12 ILE A 113 6.249 -6.346 -11.000 1.00 0.63 H new ATOM 0 HG13 ILE A 113 6.398 -4.972 -12.078 1.00 0.63 H new ATOM 0 HG21 ILE A 113 9.275 -7.046 -10.960 1.00 0.59 H new ATOM 0 HG22 ILE A 113 9.716 -5.994 -9.594 1.00 0.59 H new ATOM 0 HG23 ILE A 113 8.240 -6.985 -9.514 1.00 0.59 H new ATOM 0 HD11 ILE A 113 6.559 -7.073 -13.307 1.00 0.72 H new ATOM 0 HD12 ILE A 113 8.093 -6.175 -13.397 1.00 0.72 H new ATOM 0 HD13 ILE A 113 7.941 -7.569 -12.301 1.00 0.72 H new ATOM 1908 N ALA A 114 9.424 -2.831 -9.454 1.00 0.56 N ATOM 1909 CA ALA A 114 10.591 -2.227 -8.800 1.00 0.59 C ATOM 1910 C ALA A 114 10.164 -1.256 -7.703 1.00 0.59 C ATOM 1911 O ALA A 114 10.752 -1.229 -6.620 1.00 0.60 O ATOM 1912 CB ALA A 114 11.449 -1.511 -9.837 1.00 0.63 C ATOM 0 H ALA A 114 9.222 -2.451 -10.379 1.00 0.56 H new ATOM 0 HA ALA A 114 11.176 -3.020 -8.335 1.00 0.59 H new ATOM 0 HB1 ALA A 114 12.314 -1.064 -9.347 1.00 0.63 H new ATOM 0 HB2 ALA A 114 11.786 -2.226 -10.587 1.00 0.63 H new ATOM 0 HB3 ALA A 114 10.861 -0.730 -10.319 1.00 0.63 H new ATOM 1918 N ASP A 115 9.152 -0.464 -7.990 1.00 0.61 N ATOM 1919 CA ASP A 115 8.734 0.574 -7.056 1.00 0.66 C ATOM 1920 C ASP A 115 7.925 0.008 -5.906 1.00 0.60 C ATOM 1921 O ASP A 115 8.259 0.212 -4.745 1.00 0.59 O ATOM 1922 CB ASP A 115 7.937 1.671 -7.760 1.00 0.77 C ATOM 1923 CG ASP A 115 8.801 2.527 -8.662 1.00 1.03 C ATOM 1924 OD1 ASP A 115 9.966 2.795 -8.296 1.00 1.20 O ATOM 1925 OD2 ASP A 115 8.318 2.946 -9.734 1.00 1.73 O ATOM 0 H ASP A 115 8.606 -0.513 -8.850 1.00 0.61 H new ATOM 0 HA ASP A 115 9.646 1.010 -6.649 1.00 0.66 H new ATOM 0 HB2 ASP A 115 7.141 1.216 -8.350 1.00 0.77 H new ATOM 0 HB3 ASP A 115 7.458 2.304 -7.013 1.00 0.77 H new ATOM 1930 N PHE A 116 6.878 -0.712 -6.247 1.00 0.60 N ATOM 1931 CA PHE A 116 5.912 -1.161 -5.256 1.00 0.60 C ATOM 1932 C PHE A 116 6.124 -2.631 -4.848 1.00 0.56 C ATOM 1933 O PHE A 116 5.693 -3.052 -3.773 1.00 0.55 O ATOM 1934 CB PHE A 116 4.502 -0.894 -5.788 1.00 0.68 C ATOM 1935 CG PHE A 116 3.407 -1.533 -5.004 1.00 0.53 C ATOM 1936 CD1 PHE A 116 3.056 -1.019 -3.775 1.00 1.11 C ATOM 1937 CD2 PHE A 116 2.737 -2.643 -5.490 1.00 1.01 C ATOM 1938 CE1 PHE A 116 2.048 -1.599 -3.033 1.00 1.62 C ATOM 1939 CE2 PHE A 116 1.728 -3.230 -4.754 1.00 1.29 C ATOM 1940 CZ PHE A 116 1.363 -2.735 -3.573 1.00 1.52 C ATOM 0 H PHE A 116 6.670 -1.001 -7.203 1.00 0.60 H new ATOM 0 HA PHE A 116 6.056 -0.594 -4.337 1.00 0.60 H new ATOM 0 HB2 PHE A 116 4.334 0.183 -5.809 1.00 0.68 H new ATOM 0 HB3 PHE A 116 4.445 -1.245 -6.818 1.00 0.68 H new ATOM 0 HD1 PHE A 116 3.575 -0.154 -3.389 1.00 1.11 H new ATOM 0 HD2 PHE A 116 3.006 -3.053 -6.452 1.00 1.01 H new ATOM 0 HE1 PHE A 116 1.781 -1.204 -2.064 1.00 1.62 H new ATOM 0 HE2 PHE A 116 1.227 -4.104 -5.142 1.00 1.29 H new ATOM 0 HZ PHE A 116 0.552 -3.189 -3.023 1.00 1.52 H new ATOM 1950 N GLY A 117 6.796 -3.395 -5.700 1.00 0.55 N ATOM 1951 CA GLY A 117 6.964 -4.830 -5.476 1.00 0.56 C ATOM 1952 C GLY A 117 7.523 -5.201 -4.101 1.00 0.54 C ATOM 1953 O GLY A 117 6.880 -5.955 -3.362 1.00 0.55 O ATOM 0 H GLY A 117 7.234 -3.047 -6.553 1.00 0.55 H new ATOM 0 HA2 GLY A 117 5.999 -5.320 -5.605 1.00 0.56 H new ATOM 0 HA3 GLY A 117 7.628 -5.228 -6.243 1.00 0.56 H new ATOM 1957 N PRO A 118 8.720 -4.699 -3.727 1.00 0.52 N ATOM 1958 CA PRO A 118 9.373 -5.044 -2.451 1.00 0.53 C ATOM 1959 C PRO A 118 8.465 -4.857 -1.236 1.00 0.46 C ATOM 1960 O PRO A 118 8.446 -5.685 -0.325 1.00 0.45 O ATOM 1961 CB PRO A 118 10.541 -4.063 -2.372 1.00 0.54 C ATOM 1962 CG PRO A 118 10.849 -3.721 -3.787 1.00 0.65 C ATOM 1963 CD PRO A 118 9.540 -3.762 -4.522 1.00 0.53 C ATOM 0 HA PRO A 118 9.660 -6.095 -2.431 1.00 0.53 H new ATOM 0 HB2 PRO A 118 10.273 -3.175 -1.800 1.00 0.54 H new ATOM 0 HB3 PRO A 118 11.402 -4.513 -1.878 1.00 0.54 H new ATOM 0 HG2 PRO A 118 11.305 -2.733 -3.858 1.00 0.65 H new ATOM 0 HG3 PRO A 118 11.558 -4.431 -4.214 1.00 0.65 H new ATOM 0 HD2 PRO A 118 9.081 -2.775 -4.576 1.00 0.53 H new ATOM 0 HD3 PRO A 118 9.667 -4.111 -5.547 1.00 0.53 H new ATOM 1971 N ALA A 119 7.715 -3.773 -1.230 1.00 0.46 N ATOM 1972 CA ALA A 119 6.836 -3.460 -0.118 1.00 0.42 C ATOM 1973 C ALA A 119 5.521 -4.210 -0.208 1.00 0.44 C ATOM 1974 O ALA A 119 4.917 -4.537 0.809 1.00 0.43 O ATOM 1975 CB ALA A 119 6.558 -1.972 -0.068 1.00 0.41 C ATOM 0 H ALA A 119 7.696 -3.090 -1.987 1.00 0.46 H new ATOM 0 HA ALA A 119 7.347 -3.773 0.792 1.00 0.42 H new ATOM 0 HB1 ALA A 119 5.898 -1.753 0.771 1.00 0.41 H new ATOM 0 HB2 ALA A 119 7.496 -1.431 0.058 1.00 0.41 H new ATOM 0 HB3 ALA A 119 6.080 -1.660 -0.997 1.00 0.41 H new ATOM 1981 N CYS A 120 5.097 -4.517 -1.427 1.00 0.47 N ATOM 1982 CA CYS A 120 3.977 -5.425 -1.644 1.00 0.50 C ATOM 1983 C CYS A 120 4.240 -6.774 -0.968 1.00 0.52 C ATOM 1984 O CYS A 120 3.309 -7.446 -0.521 1.00 0.53 O ATOM 1985 CB CYS A 120 3.750 -5.627 -3.145 1.00 0.56 C ATOM 1986 SG CYS A 120 2.510 -6.897 -3.557 1.00 1.17 S ATOM 0 H CYS A 120 5.513 -4.150 -2.283 1.00 0.47 H new ATOM 0 HA CYS A 120 3.083 -4.984 -1.203 1.00 0.50 H new ATOM 0 HB2 CYS A 120 3.440 -4.679 -3.584 1.00 0.56 H new ATOM 0 HB3 CYS A 120 4.698 -5.898 -3.610 1.00 0.56 H new ATOM 1991 N LYS A 121 5.514 -7.157 -0.883 1.00 0.54 N ATOM 1992 CA LYS A 121 5.898 -8.422 -0.255 1.00 0.58 C ATOM 1993 C LYS A 121 5.491 -8.447 1.224 1.00 0.59 C ATOM 1994 O LYS A 121 4.851 -9.399 1.671 1.00 0.65 O ATOM 1995 CB LYS A 121 7.408 -8.659 -0.371 1.00 0.63 C ATOM 1996 CG LYS A 121 7.988 -8.500 -1.773 1.00 1.01 C ATOM 1997 CD LYS A 121 7.734 -9.707 -2.672 1.00 1.04 C ATOM 1998 CE LYS A 121 6.307 -9.758 -3.192 1.00 1.37 C ATOM 1999 NZ LYS A 121 6.218 -10.532 -4.457 1.00 1.47 N ATOM 0 H LYS A 121 6.297 -6.610 -1.241 1.00 0.54 H new ATOM 0 HA LYS A 121 5.373 -9.218 -0.782 1.00 0.58 H new ATOM 0 HB2 LYS A 121 7.920 -7.966 0.297 1.00 0.63 H new ATOM 0 HB3 LYS A 121 7.629 -9.666 -0.016 1.00 0.63 H new ATOM 0 HG2 LYS A 121 7.558 -7.613 -2.238 1.00 1.01 H new ATOM 0 HG3 LYS A 121 9.062 -8.332 -1.697 1.00 1.01 H new ATOM 0 HD2 LYS A 121 8.423 -9.678 -3.516 1.00 1.04 H new ATOM 0 HD3 LYS A 121 7.947 -10.620 -2.117 1.00 1.04 H new ATOM 0 HE2 LYS A 121 5.660 -10.211 -2.440 1.00 1.37 H new ATOM 0 HE3 LYS A 121 5.942 -8.744 -3.358 1.00 1.37 H new ATOM 0 HZ1 LYS A 121 5.226 -10.577 -4.768 1.00 1.47 H new ATOM 0 HZ2 LYS A 121 6.790 -10.066 -5.190 1.00 1.47 H new ATOM 0 HZ3 LYS A 121 6.575 -11.496 -4.300 1.00 1.47 H new ATOM 2013 N LYS A 122 5.887 -7.420 1.987 1.00 0.54 N ATOM 2014 CA LYS A 122 5.472 -7.322 3.392 1.00 0.55 C ATOM 2015 C LYS A 122 3.955 -7.151 3.465 1.00 0.53 C ATOM 2016 O LYS A 122 3.330 -7.548 4.449 1.00 0.57 O ATOM 2017 CB LYS A 122 6.197 -6.179 4.121 1.00 0.52 C ATOM 2018 CG LYS A 122 5.860 -4.788 3.612 1.00 0.46 C ATOM 2019 CD LYS A 122 6.726 -3.705 4.253 1.00 0.47 C ATOM 2020 CE LYS A 122 6.355 -3.426 5.710 1.00 1.15 C ATOM 2021 NZ LYS A 122 6.849 -4.472 6.648 1.00 1.50 N ATOM 0 H LYS A 122 6.483 -6.658 1.663 1.00 0.54 H new ATOM 0 HA LYS A 122 5.751 -8.245 3.901 1.00 0.55 H new ATOM 0 HB2 LYS A 122 5.955 -6.231 5.182 1.00 0.52 H new ATOM 0 HB3 LYS A 122 7.272 -6.333 4.032 1.00 0.52 H new ATOM 0 HG2 LYS A 122 5.990 -4.759 2.530 1.00 0.46 H new ATOM 0 HG3 LYS A 122 4.810 -4.575 3.813 1.00 0.46 H new ATOM 0 HD2 LYS A 122 7.772 -4.007 4.202 1.00 0.47 H new ATOM 0 HD3 LYS A 122 6.631 -2.784 3.677 1.00 0.47 H new ATOM 0 HE2 LYS A 122 6.764 -2.460 6.004 1.00 1.15 H new ATOM 0 HE3 LYS A 122 5.271 -3.352 5.795 1.00 1.15 H new ATOM 0 HZ1 LYS A 122 6.052 -5.062 6.961 1.00 1.50 H new ATOM 0 HZ2 LYS A 122 7.551 -5.068 6.165 1.00 1.50 H new ATOM 0 HZ3 LYS A 122 7.289 -4.018 7.474 1.00 1.50 H new ATOM 2035 N ILE A 123 3.375 -6.534 2.448 1.00 0.49 N ATOM 2036 CA ILE A 123 1.941 -6.272 2.436 1.00 0.48 C ATOM 2037 C ILE A 123 1.108 -7.553 2.371 1.00 0.51 C ATOM 2038 O ILE A 123 0.172 -7.775 3.138 1.00 0.54 O ATOM 2039 CB ILE A 123 1.548 -5.343 1.281 1.00 0.46 C ATOM 2040 CG1 ILE A 123 2.063 -3.937 1.569 1.00 0.44 C ATOM 2041 CG2 ILE A 123 0.040 -5.339 1.090 1.00 0.47 C ATOM 2042 CD1 ILE A 123 1.792 -2.959 0.458 1.00 0.44 C ATOM 0 H ILE A 123 3.872 -6.205 1.620 1.00 0.49 H new ATOM 0 HA ILE A 123 1.721 -5.778 3.382 1.00 0.48 H new ATOM 0 HB ILE A 123 1.999 -5.704 0.357 1.00 0.46 H new ATOM 0 HG12 ILE A 123 1.601 -3.570 2.486 1.00 0.44 H new ATOM 0 HG13 ILE A 123 3.137 -3.982 1.749 1.00 0.44 H new ATOM 0 HG21 ILE A 123 -0.221 -4.674 0.266 1.00 0.47 H new ATOM 0 HG22 ILE A 123 -0.301 -6.349 0.863 1.00 0.47 H new ATOM 0 HG23 ILE A 123 -0.442 -4.991 2.004 1.00 0.47 H new ATOM 0 HD11 ILE A 123 2.185 -1.980 0.731 1.00 0.44 H new ATOM 0 HD12 ILE A 123 2.277 -3.303 -0.456 1.00 0.44 H new ATOM 0 HD13 ILE A 123 0.717 -2.885 0.293 1.00 0.44 H new ATOM 2054 N TYR A 124 1.526 -8.400 1.440 1.00 0.52 N ATOM 2055 CA TYR A 124 1.026 -9.759 1.262 1.00 0.58 C ATOM 2056 C TYR A 124 1.686 -10.713 2.252 1.00 0.64 C ATOM 2057 O TYR A 124 1.568 -11.923 2.097 1.00 0.82 O ATOM 2058 CB TYR A 124 1.248 -10.244 -0.173 1.00 0.59 C ATOM 2059 CG TYR A 124 -0.019 -10.253 -0.992 1.00 0.63 C ATOM 2060 CD1 TYR A 124 -0.883 -11.340 -0.950 1.00 1.14 C ATOM 2061 CD2 TYR A 124 -0.362 -9.174 -1.796 1.00 0.95 C ATOM 2062 CE1 TYR A 124 -2.049 -11.356 -1.688 1.00 1.28 C ATOM 2063 CE2 TYR A 124 -1.530 -9.181 -2.537 1.00 1.05 C ATOM 2064 CZ TYR A 124 -2.368 -10.274 -2.480 1.00 0.95 C ATOM 2065 OH TYR A 124 -3.533 -10.285 -3.215 1.00 1.17 O ATOM 0 H TYR A 124 2.248 -8.152 0.763 1.00 0.52 H new ATOM 0 HA TYR A 124 -0.047 -9.746 1.456 1.00 0.58 H new ATOM 0 HB2 TYR A 124 1.984 -9.603 -0.658 1.00 0.59 H new ATOM 0 HB3 TYR A 124 1.667 -11.250 -0.150 1.00 0.59 H new ATOM 0 HD1 TYR A 124 -0.638 -12.188 -0.328 1.00 1.14 H new ATOM 0 HD2 TYR A 124 0.293 -8.317 -1.843 1.00 0.95 H new ATOM 0 HE1 TYR A 124 -2.707 -12.211 -1.645 1.00 1.28 H new ATOM 0 HE2 TYR A 124 -1.784 -8.334 -3.157 1.00 1.05 H new ATOM 0 HH TYR A 124 -3.610 -9.448 -3.718 1.00 1.17 H new ATOM 2075 N GLY A 125 2.170 -10.128 3.351 1.00 0.73 N ATOM 2076 CA GLY A 125 3.371 -10.513 4.136 1.00 0.86 C ATOM 2077 C GLY A 125 3.979 -11.904 3.943 1.00 0.71 C ATOM 2078 O GLY A 125 4.572 -12.455 4.871 1.00 0.78 O ATOM 0 H GLY A 125 1.707 -9.313 3.754 1.00 0.73 H new ATOM 0 HA2 GLY A 125 4.151 -9.782 3.921 1.00 0.86 H new ATOM 0 HA3 GLY A 125 3.119 -10.409 5.191 1.00 0.86 H new ATOM 2082 N VAL A 126 3.835 -12.460 2.755 1.00 0.71 N ATOM 2083 CA VAL A 126 4.534 -13.676 2.339 1.00 0.84 C ATOM 2084 C VAL A 126 6.047 -13.552 2.550 1.00 0.99 C ATOM 2085 O VAL A 126 6.751 -14.553 2.664 1.00 1.53 O ATOM 2086 CB VAL A 126 4.272 -13.982 0.845 1.00 0.93 C ATOM 2087 CG1 VAL A 126 2.825 -14.387 0.618 1.00 1.38 C ATOM 2088 CG2 VAL A 126 4.629 -12.781 -0.023 1.00 0.98 C ATOM 0 H VAL A 126 3.221 -12.079 2.035 1.00 0.71 H new ATOM 0 HA VAL A 126 4.148 -14.487 2.956 1.00 0.84 H new ATOM 0 HB VAL A 126 4.910 -14.818 0.558 1.00 0.93 H new ATOM 0 HG11 VAL A 126 2.668 -14.597 -0.440 1.00 1.38 H new ATOM 0 HG12 VAL A 126 2.601 -15.280 1.202 1.00 1.38 H new ATOM 0 HG13 VAL A 126 2.167 -13.576 0.929 1.00 1.38 H new ATOM 0 HG21 VAL A 126 4.437 -13.018 -1.069 1.00 0.98 H new ATOM 0 HG22 VAL A 126 4.022 -11.925 0.272 1.00 0.98 H new ATOM 0 HG23 VAL A 126 5.684 -12.539 0.106 1.00 0.98 H new