USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 604 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 57 GLN : amide:sc= 1.03 K(o=1.7,f=-0.021) USER MOD Set 1.2: A 74 SER OG : rot 31:sc= 0.698 USER MOD Set 2.1: A 72 ASN : amide:sc= 0.113 K(o=-0.71,f=-4.3!) USER MOD Set 2.2: A 73 SER OG : rot 36:sc= -0.824 USER MOD Set 3.1: A 7 SER OG : rot 159:sc= 0.909 USER MOD Set 3.2: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 55 ASN : amide:sc= 2.8 K(o=3.7,f=-9.1!) USER MOD Set 4.2: A 62 TYR OH : rot 30:sc= 0.937 USER MOD Set 5.1: A 32 CYS SG : rot 180:sc= 0.213 USER MOD Set 5.2: A 36 LYS NZ :NH3+ -152:sc= 0.215 (180deg=0) USER MOD Single : A 8 CYS SG : rot 25:sc= 0.0131 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0.00361 USER MOD Single : A 15 SER OG : rot -41:sc= 0.0394 USER MOD Single : A 16 LYS NZ :NH3+ 147:sc= 2.49 (180deg=2.38) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.0173 F(o=-0.95,f=-0.017) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0407 USER MOD Single : A 28 HIS : no HD1:sc= -2.15! C(o=-2.2!,f=-2.4!) USER MOD Single : A 30 SER OG : rot 180:sc= 0.00597 USER MOD Single : A 35 LYS NZ :NH3+ -141:sc= 0.941 (180deg=0.163) USER MOD Single : A 37 GLN : amide:sc= -0.0394 X(o=-0.039,f=-0.061) USER MOD Single : A 39 MET CE :methyl -169:sc= -0.452 (180deg=-0.636) USER MOD Single : A 43 LYS NZ :NH3+ 165:sc= 1.26 (180deg=1.15) USER MOD Single : A 45 LYS NZ :NH3+ -163:sc= -0.0358 (180deg=-0.324) USER MOD Single : A 49 CYS SG : rot 65:sc= 2.28 USER MOD Single : A 52 GLN : amide:sc= -0.715 K(o=-0.71,f=-1.8) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.503 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.176 USER MOD Single : A 59 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0578) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0373 USER MOD Single : A 66 ASN : amide:sc= 1.07 K(o=1.1,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 7 -14.083 3.042 -2.043 1.00 0.00 N ATOM 79 CA SER A 7 -13.379 1.994 -1.411 1.00 0.00 C ATOM 80 C SER A 7 -12.063 2.506 -0.911 1.00 0.00 C ATOM 81 O SER A 7 -11.379 3.253 -1.616 1.00 0.00 O ATOM 82 CB SER A 7 -13.172 0.909 -2.424 1.00 0.00 C ATOM 83 OG SER A 7 -14.425 0.419 -2.874 1.00 0.00 O ATOM 0 HA SER A 7 -13.938 1.606 -0.559 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.598 1.293 -3.268 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.591 0.097 -1.986 1.00 0.00 H new ATOM 0 HG SER A 7 -14.311 -0.023 -3.741 1.00 0.00 H new ATOM 89 N CYS A 8 -11.718 2.147 0.290 1.00 0.00 N ATOM 90 CA CYS A 8 -10.491 2.583 0.864 1.00 0.00 C ATOM 91 C CYS A 8 -9.911 1.485 1.724 1.00 0.00 C ATOM 92 O CYS A 8 -10.653 0.755 2.373 1.00 0.00 O ATOM 93 CB CYS A 8 -10.727 3.852 1.677 1.00 0.00 C ATOM 94 SG CYS A 8 -11.904 3.660 3.035 1.00 0.00 S ATOM 0 H CYS A 8 -12.280 1.546 0.893 1.00 0.00 H new ATOM 0 HA CYS A 8 -9.775 2.811 0.074 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.774 4.191 2.083 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -11.086 4.635 1.009 1.00 0.00 H new ATOM 0 HG CYS A 8 -11.934 2.416 3.410 1.00 0.00 H new ATOM 100 N VAL A 9 -8.610 1.372 1.736 1.00 0.00 N ATOM 101 CA VAL A 9 -7.948 0.363 2.537 1.00 0.00 C ATOM 102 C VAL A 9 -7.336 1.055 3.714 1.00 0.00 C ATOM 103 O VAL A 9 -6.709 2.122 3.554 1.00 0.00 O ATOM 104 CB VAL A 9 -6.797 -0.388 1.761 1.00 0.00 C ATOM 105 CG1 VAL A 9 -6.055 -1.357 2.666 1.00 0.00 C ATOM 106 CG2 VAL A 9 -7.313 -1.141 0.553 1.00 0.00 C ATOM 0 H VAL A 9 -7.980 1.967 1.199 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.691 -0.383 2.819 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.112 0.388 1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.270 -1.856 2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.610 -0.810 3.497 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.752 -2.101 3.052 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.483 -1.640 0.054 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.044 -1.884 0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.784 -0.442 -0.138 1.00 0.00 H new ATOM 116 N HIS A 10 -7.555 0.503 4.884 1.00 0.00 N ATOM 117 CA HIS A 10 -6.969 1.029 6.073 1.00 0.00 C ATOM 118 C HIS A 10 -5.585 0.492 6.175 1.00 0.00 C ATOM 119 O HIS A 10 -5.374 -0.690 6.473 1.00 0.00 O ATOM 120 CB HIS A 10 -7.782 0.687 7.329 1.00 0.00 C ATOM 121 CG HIS A 10 -9.091 1.409 7.426 1.00 0.00 C ATOM 122 ND1 HIS A 10 -9.255 2.626 8.058 1.00 0.00 N ATOM 123 CD2 HIS A 10 -10.316 1.063 6.964 1.00 0.00 C ATOM 124 CE1 HIS A 10 -10.540 2.973 7.964 1.00 0.00 C ATOM 125 NE2 HIS A 10 -11.235 2.056 7.309 1.00 0.00 N ATOM 0 H HIS A 10 -8.142 -0.318 5.028 1.00 0.00 H new ATOM 0 HA HIS A 10 -6.957 2.117 6.012 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.969 -0.387 7.346 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.184 0.920 8.210 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -10.546 0.162 6.415 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -10.958 3.883 8.369 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -12.233 2.072 7.100 1.00 0.00 H new ATOM 133 N TYR A 11 -4.652 1.319 5.886 1.00 0.00 N ATOM 134 CA TYR A 11 -3.297 0.916 5.892 1.00 0.00 C ATOM 135 C TYR A 11 -2.559 1.763 6.877 1.00 0.00 C ATOM 136 O TYR A 11 -2.851 2.950 7.006 1.00 0.00 O ATOM 137 CB TYR A 11 -2.681 1.056 4.479 1.00 0.00 C ATOM 138 CG TYR A 11 -2.421 2.489 3.992 1.00 0.00 C ATOM 139 CD1 TYR A 11 -3.394 3.215 3.326 1.00 0.00 C ATOM 140 CD2 TYR A 11 -1.177 3.103 4.196 1.00 0.00 C ATOM 141 CE1 TYR A 11 -3.138 4.497 2.877 1.00 0.00 C ATOM 142 CE2 TYR A 11 -0.928 4.373 3.755 1.00 0.00 C ATOM 143 CZ TYR A 11 -1.905 5.065 3.099 1.00 0.00 C ATOM 144 OH TYR A 11 -1.643 6.327 2.650 1.00 0.00 O ATOM 0 H TYR A 11 -4.806 2.296 5.638 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.223 -0.133 6.179 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.737 0.511 4.461 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.345 0.567 3.766 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -4.365 2.774 3.155 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.399 2.561 4.713 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.903 5.051 2.354 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.037 4.827 3.925 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.727 6.576 2.891 1.00 0.00 H new ATOM 154 N LYS A 12 -1.653 1.197 7.598 1.00 0.00 N ATOM 155 CA LYS A 12 -0.884 2.014 8.469 1.00 0.00 C ATOM 156 C LYS A 12 0.569 1.839 8.188 1.00 0.00 C ATOM 157 O LYS A 12 1.081 0.720 8.115 1.00 0.00 O ATOM 158 CB LYS A 12 -1.218 1.848 9.967 1.00 0.00 C ATOM 159 CG LYS A 12 -0.725 0.593 10.652 1.00 0.00 C ATOM 160 CD LYS A 12 -1.031 0.678 12.136 1.00 0.00 C ATOM 161 CE LYS A 12 -0.332 -0.402 12.922 1.00 0.00 C ATOM 162 NZ LYS A 12 -0.581 -0.265 14.375 1.00 0.00 N ATOM 0 H LYS A 12 -1.431 0.201 7.604 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.164 3.045 8.252 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.810 2.706 10.501 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.302 1.889 10.078 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.206 -0.284 10.219 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.348 0.477 10.496 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.727 1.655 12.513 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.107 0.598 12.289 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.676 -1.380 12.584 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.740 -0.357 12.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.086 -1.024 14.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.231 0.658 14.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.602 -0.333 14.560 1.00 0.00 H new ATOM 176 N PHE A 13 1.206 2.932 7.956 1.00 0.00 N ATOM 177 CA PHE A 13 2.608 2.958 7.706 1.00 0.00 C ATOM 178 C PHE A 13 3.287 3.027 9.055 1.00 0.00 C ATOM 179 O PHE A 13 2.672 3.489 10.034 1.00 0.00 O ATOM 180 CB PHE A 13 2.949 4.222 6.919 1.00 0.00 C ATOM 181 CG PHE A 13 3.885 4.035 5.780 1.00 0.00 C ATOM 182 CD1 PHE A 13 5.139 3.502 5.968 1.00 0.00 C ATOM 183 CD2 PHE A 13 3.491 4.385 4.506 1.00 0.00 C ATOM 184 CE1 PHE A 13 5.989 3.323 4.908 1.00 0.00 C ATOM 185 CE2 PHE A 13 4.331 4.210 3.440 1.00 0.00 C ATOM 186 CZ PHE A 13 5.585 3.676 3.641 1.00 0.00 C ATOM 0 H PHE A 13 0.762 3.850 7.934 1.00 0.00 H new ATOM 0 HA PHE A 13 2.927 2.083 7.140 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.023 4.653 6.538 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.381 4.951 7.605 1.00 0.00 H new ATOM 0 HD1 PHE A 13 5.457 3.222 6.961 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.508 4.802 4.347 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.973 2.906 5.067 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.013 4.489 2.446 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.252 3.534 2.803 1.00 0.00 H new ATOM 196 N SER A 14 4.519 2.612 9.124 1.00 0.00 N ATOM 197 CA SER A 14 5.291 2.679 10.350 1.00 0.00 C ATOM 198 C SER A 14 5.431 4.140 10.856 1.00 0.00 C ATOM 199 O SER A 14 5.599 4.379 12.048 1.00 0.00 O ATOM 200 CB SER A 14 6.654 2.054 10.097 1.00 0.00 C ATOM 201 OG SER A 14 6.486 0.776 9.482 1.00 0.00 O ATOM 0 H SER A 14 5.026 2.215 8.333 1.00 0.00 H new ATOM 0 HA SER A 14 4.772 2.126 11.133 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.250 2.703 9.455 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.197 1.949 11.036 1.00 0.00 H new ATOM 0 HG SER A 14 7.365 0.374 9.317 1.00 0.00 H new ATOM 207 N SER A 15 5.330 5.101 9.946 1.00 0.00 N ATOM 208 CA SER A 15 5.419 6.499 10.314 1.00 0.00 C ATOM 209 C SER A 15 3.991 7.104 10.531 1.00 0.00 C ATOM 210 O SER A 15 3.833 8.261 10.950 1.00 0.00 O ATOM 211 CB SER A 15 6.207 7.266 9.228 1.00 0.00 C ATOM 212 OG SER A 15 6.585 8.565 9.662 1.00 0.00 O ATOM 0 H SER A 15 5.187 4.933 8.950 1.00 0.00 H new ATOM 0 HA SER A 15 5.954 6.594 11.259 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.099 6.700 8.959 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.598 7.348 8.328 1.00 0.00 H new ATOM 0 HG SER A 15 5.847 8.970 10.163 1.00 0.00 H new ATOM 218 N LYS A 16 2.957 6.311 10.259 1.00 0.00 N ATOM 219 CA LYS A 16 1.578 6.760 10.439 1.00 0.00 C ATOM 220 C LYS A 16 1.099 6.461 11.841 1.00 0.00 C ATOM 221 O LYS A 16 0.447 7.300 12.470 1.00 0.00 O ATOM 222 CB LYS A 16 0.629 6.081 9.445 1.00 0.00 C ATOM 223 CG LYS A 16 0.781 6.496 7.997 1.00 0.00 C ATOM 224 CD LYS A 16 0.275 7.893 7.740 1.00 0.00 C ATOM 225 CE LYS A 16 0.423 8.241 6.272 1.00 0.00 C ATOM 226 NZ LYS A 16 -0.214 9.520 5.924 1.00 0.00 N ATOM 0 H LYS A 16 3.047 5.356 9.914 1.00 0.00 H new ATOM 0 HA LYS A 16 1.569 7.836 10.262 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.775 5.003 9.511 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.396 6.283 9.755 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.832 6.436 7.714 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.239 5.794 7.363 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.771 7.969 8.036 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.831 8.607 8.348 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.482 8.287 6.019 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.015 7.446 5.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.328 9.983 5.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.186 9.346 5.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.235 10.136 6.761 1.00 0.00 H new ATOM 240 N LEU A 17 1.425 5.246 12.320 1.00 0.00 N ATOM 241 CA LEU A 17 1.008 4.699 13.631 1.00 0.00 C ATOM 242 C LEU A 17 -0.476 4.342 13.648 1.00 0.00 C ATOM 243 O LEU A 17 -0.866 3.250 14.069 1.00 0.00 O ATOM 244 CB LEU A 17 1.389 5.599 14.822 1.00 0.00 C ATOM 245 CG LEU A 17 2.867 5.606 15.278 1.00 0.00 C ATOM 246 CD1 LEU A 17 3.354 4.203 15.586 1.00 0.00 C ATOM 247 CD2 LEU A 17 3.780 6.293 14.274 1.00 0.00 C ATOM 0 H LEU A 17 2.004 4.595 11.790 1.00 0.00 H new ATOM 0 HA LEU A 17 1.575 3.777 13.761 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.112 6.623 14.570 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.777 5.303 15.674 1.00 0.00 H new ATOM 0 HG LEU A 17 2.909 6.190 16.197 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.396 4.241 15.904 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.747 3.774 16.383 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.270 3.584 14.693 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.806 6.271 14.641 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.726 5.773 13.318 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.464 7.328 14.143 1.00 0.00 H new ATOM 259 N ASN A 18 -1.276 5.247 13.173 1.00 0.00 N ATOM 260 CA ASN A 18 -2.699 5.041 13.023 1.00 0.00 C ATOM 261 C ASN A 18 -2.957 4.730 11.573 1.00 0.00 C ATOM 262 O ASN A 18 -2.052 4.882 10.744 1.00 0.00 O ATOM 263 CB ASN A 18 -3.490 6.285 13.468 1.00 0.00 C ATOM 264 CG ASN A 18 -3.421 6.542 14.974 1.00 0.00 C ATOM 265 OD1 ASN A 18 -3.433 5.493 15.769 1.00 0.00 O flip ATOM 266 ND2 ASN A 18 -3.398 7.697 15.425 1.00 0.00 N flip ATOM 0 H ASN A 18 -0.961 6.169 12.871 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.031 4.217 13.655 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.107 7.158 12.940 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.533 6.167 13.174 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.389 8.493 14.788 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.388 7.851 16.433 1.00 0.00 H new ATOM 273 N TYR A 19 -4.143 4.303 11.247 1.00 0.00 N ATOM 274 CA TYR A 19 -4.424 3.928 9.885 1.00 0.00 C ATOM 275 C TYR A 19 -4.773 5.112 9.036 1.00 0.00 C ATOM 276 O TYR A 19 -5.394 6.075 9.495 1.00 0.00 O ATOM 277 CB TYR A 19 -5.520 2.875 9.784 1.00 0.00 C ATOM 278 CG TYR A 19 -5.160 1.542 10.403 1.00 0.00 C ATOM 279 CD1 TYR A 19 -5.423 1.275 11.741 1.00 0.00 C ATOM 280 CD2 TYR A 19 -4.545 0.553 9.649 1.00 0.00 C ATOM 281 CE1 TYR A 19 -5.082 0.061 12.304 1.00 0.00 C ATOM 282 CE2 TYR A 19 -4.206 -0.660 10.205 1.00 0.00 C ATOM 283 CZ TYR A 19 -4.474 -0.900 11.533 1.00 0.00 C ATOM 284 OH TYR A 19 -4.126 -2.107 12.093 1.00 0.00 O ATOM 0 H TYR A 19 -4.925 4.205 11.895 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.501 3.490 9.504 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.420 3.256 10.267 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.764 2.721 8.733 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.901 2.028 12.350 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.328 0.738 8.607 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.292 -0.132 13.346 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.732 -1.420 9.601 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.707 -2.675 11.413 1.00 0.00 H new ATOM 294 N ASP A 20 -4.360 5.038 7.820 1.00 0.00 N ATOM 295 CA ASP A 20 -4.648 6.013 6.811 1.00 0.00 C ATOM 296 C ASP A 20 -5.522 5.275 5.815 1.00 0.00 C ATOM 297 O ASP A 20 -5.750 4.062 5.980 1.00 0.00 O ATOM 298 CB ASP A 20 -3.346 6.480 6.149 1.00 0.00 C ATOM 299 CG ASP A 20 -3.464 7.814 5.389 1.00 0.00 C ATOM 300 OD1 ASP A 20 -4.228 7.907 4.391 1.00 0.00 O ATOM 301 OD2 ASP A 20 -2.755 8.787 5.753 1.00 0.00 O ATOM 0 H ASP A 20 -3.787 4.266 7.480 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.137 6.903 7.207 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.578 6.579 6.916 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.008 5.709 5.456 1.00 0.00 H new ATOM 306 N THR A 21 -5.976 5.920 4.802 1.00 0.00 N ATOM 307 CA THR A 21 -6.900 5.317 3.906 1.00 0.00 C ATOM 308 C THR A 21 -6.584 5.680 2.491 1.00 0.00 C ATOM 309 O THR A 21 -6.472 6.864 2.141 1.00 0.00 O ATOM 310 CB THR A 21 -8.349 5.703 4.257 1.00 0.00 C ATOM 311 OG1 THR A 21 -8.373 7.025 4.819 1.00 0.00 O ATOM 312 CG2 THR A 21 -8.972 4.710 5.220 1.00 0.00 C ATOM 0 H THR A 21 -5.719 6.879 4.569 1.00 0.00 H new ATOM 0 HA THR A 21 -6.807 4.236 4.010 1.00 0.00 H new ATOM 0 HB THR A 21 -8.939 5.686 3.340 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.296 7.270 5.040 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.994 5.014 5.445 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.980 3.719 4.766 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.390 4.683 6.141 1.00 0.00 H new ATOM 320 N VAL A 22 -6.378 4.687 1.690 1.00 0.00 N ATOM 321 CA VAL A 22 -6.140 4.920 0.312 1.00 0.00 C ATOM 322 C VAL A 22 -7.415 4.613 -0.460 1.00 0.00 C ATOM 323 O VAL A 22 -7.963 3.513 -0.353 1.00 0.00 O ATOM 324 CB VAL A 22 -4.911 4.124 -0.225 1.00 0.00 C ATOM 325 CG1 VAL A 22 -5.115 2.605 -0.261 1.00 0.00 C ATOM 326 CG2 VAL A 22 -4.464 4.679 -1.550 1.00 0.00 C ATOM 0 H VAL A 22 -6.371 3.706 1.971 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.880 5.969 0.168 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.107 4.268 0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.215 2.126 -0.646 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.317 2.241 0.746 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.959 2.366 -0.909 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.606 4.112 -1.911 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.278 4.602 -2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.184 5.725 -1.430 1.00 0.00 H new ATOM 336 N THR A 23 -7.932 5.597 -1.135 1.00 0.00 N ATOM 337 CA THR A 23 -9.147 5.443 -1.882 1.00 0.00 C ATOM 338 C THR A 23 -8.866 4.940 -3.287 1.00 0.00 C ATOM 339 O THR A 23 -7.943 5.411 -3.954 1.00 0.00 O ATOM 340 CB THR A 23 -9.939 6.759 -1.899 1.00 0.00 C ATOM 341 OG1 THR A 23 -9.041 7.862 -2.125 1.00 0.00 O ATOM 342 CG2 THR A 23 -10.670 6.961 -0.580 1.00 0.00 C ATOM 0 H THR A 23 -7.523 6.530 -1.184 1.00 0.00 H new ATOM 0 HA THR A 23 -9.761 4.690 -1.388 1.00 0.00 H new ATOM 0 HB THR A 23 -10.673 6.712 -2.703 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.549 8.700 -2.137 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.225 7.898 -0.612 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.362 6.135 -0.417 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.947 6.995 0.235 1.00 0.00 H new ATOM 350 N PHE A 24 -9.630 3.973 -3.713 1.00 0.00 N ATOM 351 CA PHE A 24 -9.450 3.353 -4.999 1.00 0.00 C ATOM 352 C PHE A 24 -10.798 2.979 -5.579 1.00 0.00 C ATOM 353 O PHE A 24 -11.842 3.162 -4.918 1.00 0.00 O ATOM 354 CB PHE A 24 -8.560 2.099 -4.862 1.00 0.00 C ATOM 355 CG PHE A 24 -9.106 1.042 -3.929 1.00 0.00 C ATOM 356 CD1 PHE A 24 -8.956 1.162 -2.561 1.00 0.00 C ATOM 357 CD2 PHE A 24 -9.768 -0.067 -4.420 1.00 0.00 C ATOM 358 CE1 PHE A 24 -9.445 0.205 -1.718 1.00 0.00 C ATOM 359 CE2 PHE A 24 -10.255 -1.018 -3.574 1.00 0.00 C ATOM 360 CZ PHE A 24 -10.093 -0.884 -2.226 1.00 0.00 C ATOM 0 H PHE A 24 -10.404 3.588 -3.172 1.00 0.00 H new ATOM 0 HA PHE A 24 -8.959 4.057 -5.671 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.421 1.658 -5.849 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.575 2.405 -4.508 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.446 2.022 -2.153 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -9.901 -0.181 -5.486 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -9.319 0.310 -0.650 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -10.770 -1.880 -3.972 1.00 0.00 H new ATOM 0 HZ PHE A 24 -10.478 -1.641 -1.559 1.00 0.00 H new ATOM 370 N ASP A 25 -10.782 2.479 -6.785 1.00 0.00 N ATOM 371 CA ASP A 25 -11.981 2.034 -7.455 1.00 0.00 C ATOM 372 C ASP A 25 -12.033 0.525 -7.432 1.00 0.00 C ATOM 373 O ASP A 25 -11.033 -0.138 -7.746 1.00 0.00 O ATOM 374 CB ASP A 25 -12.003 2.520 -8.905 1.00 0.00 C ATOM 375 CG ASP A 25 -13.238 2.063 -9.649 1.00 0.00 C ATOM 376 OD1 ASP A 25 -14.259 2.783 -9.620 1.00 0.00 O ATOM 377 OD2 ASP A 25 -13.216 0.976 -10.281 1.00 0.00 O ATOM 0 H ASP A 25 -9.932 2.367 -7.337 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.846 2.447 -6.936 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.955 3.609 -8.921 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.115 2.154 -9.421 1.00 0.00 H new ATOM 382 N GLY A 26 -13.155 -0.014 -7.043 1.00 0.00 N ATOM 383 CA GLY A 26 -13.318 -1.442 -6.997 1.00 0.00 C ATOM 384 C GLY A 26 -13.384 -1.913 -5.578 1.00 0.00 C ATOM 385 O GLY A 26 -13.305 -1.110 -4.677 1.00 0.00 O ATOM 0 H GLY A 26 -13.975 0.517 -6.751 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.228 -1.728 -7.525 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.487 -1.926 -7.510 1.00 0.00 H new ATOM 389 N LEU A 27 -13.535 -3.192 -5.364 1.00 0.00 N ATOM 390 CA LEU A 27 -13.608 -3.721 -4.012 1.00 0.00 C ATOM 391 C LEU A 27 -12.174 -3.903 -3.513 1.00 0.00 C ATOM 392 O LEU A 27 -11.866 -3.734 -2.320 1.00 0.00 O ATOM 393 CB LEU A 27 -14.346 -5.081 -4.029 1.00 0.00 C ATOM 394 CG LEU A 27 -15.095 -5.533 -2.743 1.00 0.00 C ATOM 395 CD1 LEU A 27 -15.665 -6.923 -2.928 1.00 0.00 C ATOM 396 CD2 LEU A 27 -14.234 -5.478 -1.488 1.00 0.00 C ATOM 0 H LEU A 27 -13.611 -3.893 -6.101 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.154 -3.044 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.070 -5.055 -4.843 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.616 -5.852 -4.276 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.904 -4.819 -2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -16.186 -7.226 -2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.364 -6.921 -3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -14.856 -7.624 -3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.820 -5.807 -0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.371 -6.133 -1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.894 -4.455 -1.325 1.00 0.00 H new ATOM 408 N HIS A 28 -11.302 -4.200 -4.440 1.00 0.00 N ATOM 409 CA HIS A 28 -9.915 -4.452 -4.153 1.00 0.00 C ATOM 410 C HIS A 28 -8.997 -3.795 -5.134 1.00 0.00 C ATOM 411 O HIS A 28 -9.402 -3.436 -6.250 1.00 0.00 O ATOM 412 CB HIS A 28 -9.598 -5.947 -3.993 1.00 0.00 C ATOM 413 CG HIS A 28 -10.332 -6.891 -4.905 1.00 0.00 C ATOM 414 ND1 HIS A 28 -10.998 -7.991 -4.435 1.00 0.00 N ATOM 415 CD2 HIS A 28 -10.471 -6.914 -6.257 1.00 0.00 C ATOM 416 CE1 HIS A 28 -11.518 -8.642 -5.478 1.00 0.00 C ATOM 417 NE2 HIS A 28 -11.226 -8.030 -6.615 1.00 0.00 N ATOM 0 H HIS A 28 -11.539 -4.275 -5.429 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.729 -3.989 -3.184 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -8.528 -6.087 -4.147 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.812 -6.233 -2.963 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -10.063 -6.186 -6.942 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -12.100 -9.549 -5.404 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.497 -8.315 -7.556 1.00 0.00 H new ATOM 425 N ILE A 29 -7.788 -3.590 -4.695 1.00 0.00 N ATOM 426 CA ILE A 29 -6.777 -2.970 -5.482 1.00 0.00 C ATOM 427 C ILE A 29 -5.505 -3.814 -5.483 1.00 0.00 C ATOM 428 O ILE A 29 -5.080 -4.315 -4.441 1.00 0.00 O ATOM 429 CB ILE A 29 -6.496 -1.512 -4.996 1.00 0.00 C ATOM 430 CG1 ILE A 29 -5.328 -0.903 -5.754 1.00 0.00 C ATOM 431 CG2 ILE A 29 -6.238 -1.466 -3.487 1.00 0.00 C ATOM 432 CD1 ILE A 29 -5.212 0.599 -5.619 1.00 0.00 C ATOM 0 H ILE A 29 -7.478 -3.857 -3.761 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.137 -2.904 -6.509 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.388 -0.920 -5.203 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.403 -1.360 -5.401 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.425 -1.154 -6.810 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.046 -0.437 -3.182 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.112 -1.845 -2.957 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.372 -2.083 -3.247 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.353 0.950 -6.191 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.118 1.070 -6.000 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.081 0.861 -4.569 1.00 0.00 H new ATOM 444 N SER A 30 -4.960 -4.020 -6.658 1.00 0.00 N ATOM 445 CA SER A 30 -3.727 -4.741 -6.845 1.00 0.00 C ATOM 446 C SER A 30 -2.586 -4.028 -6.108 1.00 0.00 C ATOM 447 O SER A 30 -2.563 -2.799 -6.024 1.00 0.00 O ATOM 448 CB SER A 30 -3.428 -4.808 -8.331 1.00 0.00 C ATOM 449 OG SER A 30 -4.594 -5.192 -9.054 1.00 0.00 O ATOM 0 H SER A 30 -5.371 -3.683 -7.528 1.00 0.00 H new ATOM 0 HA SER A 30 -3.820 -5.749 -6.441 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.077 -3.838 -8.682 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.626 -5.523 -8.515 1.00 0.00 H new ATOM 0 HG SER A 30 -4.388 -5.230 -10.011 1.00 0.00 H new ATOM 455 N LEU A 31 -1.669 -4.798 -5.591 1.00 0.00 N ATOM 456 CA LEU A 31 -0.564 -4.320 -4.799 1.00 0.00 C ATOM 457 C LEU A 31 0.290 -3.307 -5.536 1.00 0.00 C ATOM 458 O LEU A 31 0.678 -2.300 -4.950 1.00 0.00 O ATOM 459 CB LEU A 31 0.288 -5.491 -4.332 1.00 0.00 C ATOM 460 CG LEU A 31 1.463 -5.148 -3.442 1.00 0.00 C ATOM 461 CD1 LEU A 31 0.993 -4.489 -2.168 1.00 0.00 C ATOM 462 CD2 LEU A 31 2.254 -6.383 -3.130 1.00 0.00 C ATOM 0 H LEU A 31 -1.668 -5.811 -5.712 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.986 -3.807 -3.935 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.354 -6.191 -3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.665 -6.013 -5.212 1.00 0.00 H new ATOM 0 HG LEU A 31 2.105 -4.445 -3.973 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.853 -4.251 -1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.455 -3.572 -2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.331 -5.167 -1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.097 -6.123 -2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.617 -7.103 -2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.625 -6.821 -4.057 1.00 0.00 H new ATOM 474 N CYS A 32 0.583 -3.565 -6.808 1.00 0.00 N ATOM 475 CA CYS A 32 1.384 -2.635 -7.592 1.00 0.00 C ATOM 476 C CYS A 32 0.683 -1.295 -7.627 1.00 0.00 C ATOM 477 O CYS A 32 1.285 -0.265 -7.351 1.00 0.00 O ATOM 478 CB CYS A 32 1.583 -3.132 -9.032 1.00 0.00 C ATOM 479 SG CYS A 32 2.841 -2.235 -9.973 1.00 0.00 S ATOM 0 H CYS A 32 0.281 -4.400 -7.311 1.00 0.00 H new ATOM 0 HA CYS A 32 2.365 -2.550 -7.124 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.854 -4.188 -9.004 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.633 -3.061 -9.561 1.00 0.00 H new ATOM 0 HG CYS A 32 2.928 -2.736 -11.169 1.00 0.00 H new ATOM 485 N ASP A 33 -0.611 -1.343 -7.877 1.00 0.00 N ATOM 486 CA ASP A 33 -1.439 -0.160 -7.950 1.00 0.00 C ATOM 487 C ASP A 33 -1.448 0.540 -6.617 1.00 0.00 C ATOM 488 O ASP A 33 -1.157 1.723 -6.537 1.00 0.00 O ATOM 489 CB ASP A 33 -2.874 -0.530 -8.367 1.00 0.00 C ATOM 490 CG ASP A 33 -2.972 -1.002 -9.787 1.00 0.00 C ATOM 491 OD1 ASP A 33 -3.054 -0.163 -10.707 1.00 0.00 O ATOM 492 OD2 ASP A 33 -2.946 -2.218 -10.016 1.00 0.00 O ATOM 0 H ASP A 33 -1.119 -2.213 -8.036 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.026 0.512 -8.702 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.248 -1.310 -7.705 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.520 0.338 -8.234 1.00 0.00 H new ATOM 497 N LEU A 34 -1.688 -0.231 -5.568 1.00 0.00 N ATOM 498 CA LEU A 34 -1.805 0.279 -4.200 1.00 0.00 C ATOM 499 C LEU A 34 -0.528 0.970 -3.755 1.00 0.00 C ATOM 500 O LEU A 34 -0.571 2.090 -3.228 1.00 0.00 O ATOM 501 CB LEU A 34 -2.228 -0.874 -3.233 1.00 0.00 C ATOM 502 CG LEU A 34 -2.341 -0.564 -1.712 1.00 0.00 C ATOM 503 CD1 LEU A 34 -3.270 -1.563 -1.054 1.00 0.00 C ATOM 504 CD2 LEU A 34 -0.978 -0.663 -1.026 1.00 0.00 C ATOM 0 H LEU A 34 -1.809 -1.241 -5.638 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.587 1.038 -4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.195 -1.249 -3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.512 -1.687 -3.353 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.726 0.450 -1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.346 -1.342 0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.258 -1.496 -1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.875 -2.570 -1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.088 -0.441 0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.582 -1.671 -1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.291 0.053 -1.477 1.00 0.00 H new ATOM 516 N LYS A 35 0.599 0.333 -4.002 1.00 0.00 N ATOM 517 CA LYS A 35 1.865 0.888 -3.607 1.00 0.00 C ATOM 518 C LYS A 35 2.148 2.158 -4.368 1.00 0.00 C ATOM 519 O LYS A 35 2.509 3.160 -3.775 1.00 0.00 O ATOM 520 CB LYS A 35 3.000 -0.123 -3.750 1.00 0.00 C ATOM 521 CG LYS A 35 2.793 -1.365 -2.890 1.00 0.00 C ATOM 522 CD LYS A 35 4.021 -2.258 -2.807 1.00 0.00 C ATOM 523 CE LYS A 35 4.585 -2.682 -4.148 1.00 0.00 C ATOM 524 NZ LYS A 35 5.824 -3.482 -3.961 1.00 0.00 N ATOM 0 H LYS A 35 0.658 -0.569 -4.475 1.00 0.00 H new ATOM 0 HA LYS A 35 1.804 1.138 -2.548 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.087 -0.420 -4.795 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.941 0.352 -3.474 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.509 -1.057 -1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.961 -1.942 -3.294 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.798 -1.734 -2.250 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.767 -3.151 -2.236 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.845 -3.269 -4.692 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.801 -1.802 -4.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.516 -3.227 -4.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.226 -3.285 -3.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.598 -4.494 -4.035 1.00 0.00 H new ATOM 538 N LYS A 36 1.901 2.140 -5.672 1.00 0.00 N ATOM 539 CA LYS A 36 2.100 3.322 -6.509 1.00 0.00 C ATOM 540 C LYS A 36 1.192 4.473 -6.069 1.00 0.00 C ATOM 541 O LYS A 36 1.586 5.649 -6.147 1.00 0.00 O ATOM 542 CB LYS A 36 1.877 3.007 -7.993 1.00 0.00 C ATOM 543 CG LYS A 36 3.098 2.482 -8.773 1.00 0.00 C ATOM 544 CD LYS A 36 3.757 1.256 -8.144 1.00 0.00 C ATOM 545 CE LYS A 36 4.795 0.658 -9.082 1.00 0.00 C ATOM 546 NZ LYS A 36 5.455 -0.524 -8.500 1.00 0.00 N ATOM 0 H LYS A 36 1.562 1.320 -6.175 1.00 0.00 H new ATOM 0 HA LYS A 36 3.137 3.633 -6.381 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.079 2.268 -8.069 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.521 3.912 -8.485 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.789 2.235 -9.788 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.837 3.279 -8.850 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.230 1.535 -7.202 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.998 0.509 -7.911 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.316 0.379 -10.021 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.546 1.412 -9.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.413 -0.616 -8.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.514 -0.415 -7.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.904 -1.376 -8.727 1.00 0.00 H new ATOM 560 N GLN A 37 -0.008 4.139 -5.584 1.00 0.00 N ATOM 561 CA GLN A 37 -0.922 5.155 -5.094 1.00 0.00 C ATOM 562 C GLN A 37 -0.308 5.843 -3.890 1.00 0.00 C ATOM 563 O GLN A 37 -0.196 7.061 -3.862 1.00 0.00 O ATOM 564 CB GLN A 37 -2.302 4.590 -4.696 1.00 0.00 C ATOM 565 CG GLN A 37 -3.070 3.849 -5.786 1.00 0.00 C ATOM 566 CD GLN A 37 -3.157 4.605 -7.092 1.00 0.00 C ATOM 567 OE1 GLN A 37 -4.068 5.396 -7.313 1.00 0.00 O ATOM 568 NE2 GLN A 37 -2.258 4.317 -7.991 1.00 0.00 N ATOM 0 H GLN A 37 -0.359 3.183 -5.524 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.083 5.857 -5.913 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.164 3.912 -3.854 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.920 5.415 -4.343 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.590 2.887 -5.965 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.079 3.641 -5.429 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.514 3.654 -7.774 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.299 4.754 -8.912 1.00 0.00 H new ATOM 577 N ILE A 38 0.157 5.041 -2.948 1.00 0.00 N ATOM 578 CA ILE A 38 0.730 5.536 -1.694 1.00 0.00 C ATOM 579 C ILE A 38 2.050 6.276 -1.935 1.00 0.00 C ATOM 580 O ILE A 38 2.231 7.409 -1.482 1.00 0.00 O ATOM 581 CB ILE A 38 0.972 4.369 -0.683 1.00 0.00 C ATOM 582 CG1 ILE A 38 -0.357 3.682 -0.333 1.00 0.00 C ATOM 583 CG2 ILE A 38 1.685 4.863 0.590 1.00 0.00 C ATOM 584 CD1 ILE A 38 -0.210 2.478 0.575 1.00 0.00 C ATOM 0 H ILE A 38 0.151 4.024 -3.025 1.00 0.00 H new ATOM 0 HA ILE A 38 0.007 6.232 -1.270 1.00 0.00 H new ATOM 0 HB ILE A 38 1.626 3.640 -1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.014 4.408 0.147 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.847 3.370 -1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.837 4.025 1.270 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.650 5.293 0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.073 5.621 1.079 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.193 2.050 0.774 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.419 1.731 0.090 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.250 2.785 1.515 1.00 0.00 H new ATOM 596 N MET A 39 2.934 5.646 -2.684 1.00 0.00 N ATOM 597 CA MET A 39 4.284 6.166 -2.930 1.00 0.00 C ATOM 598 C MET A 39 4.243 7.499 -3.642 1.00 0.00 C ATOM 599 O MET A 39 4.919 8.449 -3.234 1.00 0.00 O ATOM 600 CB MET A 39 5.143 5.149 -3.704 1.00 0.00 C ATOM 601 CG MET A 39 5.317 3.825 -2.961 1.00 0.00 C ATOM 602 SD MET A 39 6.273 2.584 -3.859 1.00 0.00 S ATOM 603 CE MET A 39 7.901 3.304 -3.771 1.00 0.00 C ATOM 0 H MET A 39 2.745 4.756 -3.145 1.00 0.00 H new ATOM 0 HA MET A 39 4.753 6.326 -1.959 1.00 0.00 H new ATOM 0 HB2 MET A 39 4.683 4.957 -4.674 1.00 0.00 H new ATOM 0 HB3 MET A 39 6.124 5.583 -3.896 1.00 0.00 H new ATOM 0 HG2 MET A 39 5.805 4.020 -2.006 1.00 0.00 H new ATOM 0 HG3 MET A 39 4.332 3.415 -2.738 1.00 0.00 H new ATOM 0 HE1 MET A 39 8.573 2.767 -4.440 1.00 0.00 H new ATOM 0 HE2 MET A 39 7.852 4.351 -4.070 1.00 0.00 H new ATOM 0 HE3 MET A 39 8.275 3.235 -2.749 1.00 0.00 H new ATOM 613 N GLY A 40 3.409 7.593 -4.656 1.00 0.00 N ATOM 614 CA GLY A 40 3.293 8.824 -5.392 1.00 0.00 C ATOM 615 C GLY A 40 2.562 9.893 -4.611 1.00 0.00 C ATOM 616 O GLY A 40 2.852 11.084 -4.744 1.00 0.00 O ATOM 0 H GLY A 40 2.808 6.837 -4.984 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.288 9.184 -5.653 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.767 8.637 -6.328 1.00 0.00 H new ATOM 620 N ARG A 41 1.629 9.471 -3.781 1.00 0.00 N ATOM 621 CA ARG A 41 0.825 10.396 -3.006 1.00 0.00 C ATOM 622 C ARG A 41 1.628 11.030 -1.881 1.00 0.00 C ATOM 623 O ARG A 41 1.686 12.247 -1.747 1.00 0.00 O ATOM 624 CB ARG A 41 -0.386 9.686 -2.401 1.00 0.00 C ATOM 625 CG ARG A 41 -1.296 10.628 -1.637 1.00 0.00 C ATOM 626 CD ARG A 41 -2.437 9.917 -0.927 1.00 0.00 C ATOM 627 NE ARG A 41 -2.121 9.706 0.484 1.00 0.00 N ATOM 628 CZ ARG A 41 -2.900 9.114 1.394 1.00 0.00 C ATOM 629 NH1 ARG A 41 -4.012 8.469 1.039 1.00 0.00 N ATOM 630 NH2 ARG A 41 -2.550 9.164 2.662 1.00 0.00 N ATOM 0 H ARG A 41 1.408 8.488 -3.625 1.00 0.00 H new ATOM 0 HA ARG A 41 0.494 11.177 -3.691 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.954 9.204 -3.197 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.043 8.897 -1.732 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.706 11.176 -0.903 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.709 11.363 -2.328 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.350 10.507 -1.015 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.629 8.958 -1.408 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.215 10.045 0.807 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.282 8.421 0.057 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.592 8.024 1.750 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.696 9.649 2.937 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.133 8.718 3.370 1.00 0.00 H new ATOM 644 N GLU A 42 2.278 10.198 -1.112 1.00 0.00 N ATOM 645 CA GLU A 42 2.924 10.641 0.117 1.00 0.00 C ATOM 646 C GLU A 42 4.316 11.142 -0.096 1.00 0.00 C ATOM 647 O GLU A 42 4.936 11.672 0.833 1.00 0.00 O ATOM 648 CB GLU A 42 3.012 9.524 1.081 1.00 0.00 C ATOM 649 CG GLU A 42 1.679 8.945 1.548 1.00 0.00 C ATOM 650 CD GLU A 42 0.806 9.955 2.250 1.00 0.00 C ATOM 651 OE1 GLU A 42 0.094 10.706 1.580 1.00 0.00 O ATOM 652 OE2 GLU A 42 0.807 10.006 3.498 1.00 0.00 O ATOM 0 H GLU A 42 2.380 9.202 -1.307 1.00 0.00 H new ATOM 0 HA GLU A 42 2.307 11.457 0.493 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.596 8.723 0.628 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.565 9.866 1.956 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.142 8.546 0.687 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.869 8.109 2.221 1.00 0.00 H new ATOM 659 N LYS A 43 4.805 10.934 -1.277 1.00 0.00 N ATOM 660 CA LYS A 43 6.129 11.329 -1.700 1.00 0.00 C ATOM 661 C LYS A 43 7.180 10.409 -1.158 1.00 0.00 C ATOM 662 O LYS A 43 7.942 10.748 -0.254 1.00 0.00 O ATOM 663 CB LYS A 43 6.468 12.830 -1.460 1.00 0.00 C ATOM 664 CG LYS A 43 5.411 13.790 -1.994 1.00 0.00 C ATOM 665 CD LYS A 43 4.868 13.265 -3.292 1.00 0.00 C ATOM 666 CE LYS A 43 3.910 14.214 -3.963 1.00 0.00 C ATOM 667 NZ LYS A 43 3.507 13.706 -5.287 1.00 0.00 N ATOM 0 H LYS A 43 4.276 10.464 -2.012 1.00 0.00 H new ATOM 0 HA LYS A 43 6.125 11.227 -2.785 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.592 12.999 -0.390 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.424 13.057 -1.932 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.605 13.901 -1.269 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.844 14.779 -2.142 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.698 13.058 -3.968 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.362 12.317 -3.109 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.028 14.350 -3.337 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.377 15.193 -4.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.671 14.228 -5.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.288 13.837 -5.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.278 12.694 -5.216 1.00 0.00 H new ATOM 681 N LEU A 44 7.132 9.204 -1.639 1.00 0.00 N ATOM 682 CA LEU A 44 8.129 8.240 -1.338 1.00 0.00 C ATOM 683 C LEU A 44 9.003 8.116 -2.542 1.00 0.00 C ATOM 684 O LEU A 44 8.490 7.982 -3.660 1.00 0.00 O ATOM 685 CB LEU A 44 7.559 6.853 -0.993 1.00 0.00 C ATOM 686 CG LEU A 44 6.980 6.647 0.411 1.00 0.00 C ATOM 687 CD1 LEU A 44 5.747 7.481 0.652 1.00 0.00 C ATOM 688 CD2 LEU A 44 6.683 5.187 0.639 1.00 0.00 C ATOM 0 H LEU A 44 6.392 8.866 -2.255 1.00 0.00 H new ATOM 0 HA LEU A 44 8.671 8.579 -0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.775 6.624 -1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.352 6.119 -1.139 1.00 0.00 H new ATOM 0 HG LEU A 44 7.733 6.979 1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.376 7.299 1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.995 8.537 0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.978 7.211 -0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.272 5.051 1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.960 4.843 -0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.602 4.609 0.543 1.00 0.00 H new ATOM 700 N LYS A 45 10.284 8.207 -2.365 1.00 0.00 N ATOM 701 CA LYS A 45 11.169 8.063 -3.450 1.00 0.00 C ATOM 702 C LYS A 45 11.305 6.596 -3.779 1.00 0.00 C ATOM 703 O LYS A 45 11.887 5.812 -3.006 1.00 0.00 O ATOM 704 CB LYS A 45 12.508 8.637 -3.098 1.00 0.00 C ATOM 705 CG LYS A 45 13.492 8.606 -4.216 1.00 0.00 C ATOM 706 CD LYS A 45 14.808 9.215 -3.798 1.00 0.00 C ATOM 707 CE LYS A 45 14.741 10.730 -3.660 1.00 0.00 C ATOM 708 NZ LYS A 45 14.372 11.406 -4.920 1.00 0.00 N ATOM 0 H LYS A 45 10.732 8.382 -1.466 1.00 0.00 H new ATOM 0 HA LYS A 45 10.779 8.598 -4.316 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.376 9.669 -2.772 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.917 8.086 -2.252 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.650 7.576 -4.537 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.092 9.149 -5.072 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.118 8.782 -2.847 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.572 8.955 -4.531 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.015 10.988 -2.889 1.00 0.00 H new ATOM 0 HE3 LYS A 45 15.709 11.102 -3.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.617 12.415 -4.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.890 10.973 -5.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.349 11.307 -5.080 1.00 0.00 H new ATOM 722 N ALA A 46 10.810 6.229 -4.927 1.00 0.00 N ATOM 723 CA ALA A 46 10.834 4.858 -5.382 1.00 0.00 C ATOM 724 C ALA A 46 12.221 4.505 -5.907 1.00 0.00 C ATOM 725 O ALA A 46 12.473 3.386 -6.345 1.00 0.00 O ATOM 726 CB ALA A 46 9.769 4.652 -6.453 1.00 0.00 C ATOM 0 H ALA A 46 10.373 6.876 -5.584 1.00 0.00 H new ATOM 0 HA ALA A 46 10.612 4.194 -4.547 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.791 3.617 -6.793 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.787 4.877 -6.037 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.967 5.315 -7.295 1.00 0.00 H new ATOM 732 N ALA A 47 13.111 5.476 -5.873 1.00 0.00 N ATOM 733 CA ALA A 47 14.477 5.284 -6.315 1.00 0.00 C ATOM 734 C ALA A 47 15.379 5.146 -5.107 1.00 0.00 C ATOM 735 O ALA A 47 16.593 5.025 -5.225 1.00 0.00 O ATOM 736 CB ALA A 47 14.924 6.451 -7.187 1.00 0.00 C ATOM 0 H ALA A 47 12.908 6.418 -5.539 1.00 0.00 H new ATOM 0 HA ALA A 47 14.538 4.375 -6.913 1.00 0.00 H new ATOM 0 HB1 ALA A 47 15.952 6.291 -7.510 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.276 6.522 -8.060 1.00 0.00 H new ATOM 0 HB3 ALA A 47 14.864 7.377 -6.615 1.00 0.00 H new ATOM 742 N ASP A 48 14.768 5.157 -3.948 1.00 0.00 N ATOM 743 CA ASP A 48 15.477 5.054 -2.682 1.00 0.00 C ATOM 744 C ASP A 48 15.031 3.827 -1.963 1.00 0.00 C ATOM 745 O ASP A 48 15.845 3.003 -1.537 1.00 0.00 O ATOM 746 CB ASP A 48 15.193 6.280 -1.821 1.00 0.00 C ATOM 747 CG ASP A 48 15.819 6.234 -0.448 1.00 0.00 C ATOM 748 OD1 ASP A 48 17.016 6.547 -0.320 1.00 0.00 O ATOM 749 OD2 ASP A 48 15.116 5.932 0.539 1.00 0.00 O ATOM 0 H ASP A 48 13.756 5.238 -3.849 1.00 0.00 H new ATOM 0 HA ASP A 48 16.548 4.997 -2.877 1.00 0.00 H new ATOM 0 HB2 ASP A 48 15.553 7.167 -2.342 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.114 6.391 -1.712 1.00 0.00 H new ATOM 754 N CYS A 49 13.742 3.693 -1.841 1.00 0.00 N ATOM 755 CA CYS A 49 13.171 2.554 -1.170 1.00 0.00 C ATOM 756 C CYS A 49 12.020 1.954 -1.948 1.00 0.00 C ATOM 757 O CYS A 49 11.514 2.546 -2.908 1.00 0.00 O ATOM 758 CB CYS A 49 12.719 2.915 0.237 1.00 0.00 C ATOM 759 SG CYS A 49 14.054 3.345 1.372 1.00 0.00 S ATOM 0 H CYS A 49 13.060 4.362 -2.199 1.00 0.00 H new ATOM 0 HA CYS A 49 13.958 1.802 -1.104 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.027 3.755 0.177 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.164 2.074 0.653 1.00 0.00 H new ATOM 0 HG CYS A 49 14.641 4.429 0.960 1.00 0.00 H new ATOM 765 N ASP A 50 11.627 0.787 -1.518 1.00 0.00 N ATOM 766 CA ASP A 50 10.556 0.026 -2.103 1.00 0.00 C ATOM 767 C ASP A 50 9.465 -0.020 -1.063 1.00 0.00 C ATOM 768 O ASP A 50 9.693 0.346 0.112 1.00 0.00 O ATOM 769 CB ASP A 50 11.035 -1.409 -2.383 1.00 0.00 C ATOM 770 CG ASP A 50 10.141 -2.226 -3.321 1.00 0.00 C ATOM 771 OD1 ASP A 50 8.996 -1.820 -3.624 1.00 0.00 O ATOM 772 OD2 ASP A 50 10.603 -3.293 -3.807 1.00 0.00 O ATOM 0 H ASP A 50 12.060 0.322 -0.720 1.00 0.00 H new ATOM 0 HA ASP A 50 10.216 0.470 -3.039 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.036 -1.363 -2.811 1.00 0.00 H new ATOM 0 HB3 ASP A 50 11.118 -1.939 -1.434 1.00 0.00 H new ATOM 777 N LEU A 51 8.335 -0.467 -1.435 1.00 0.00 N ATOM 778 CA LEU A 51 7.257 -0.524 -0.536 1.00 0.00 C ATOM 779 C LEU A 51 6.855 -1.969 -0.335 1.00 0.00 C ATOM 780 O LEU A 51 6.634 -2.706 -1.299 1.00 0.00 O ATOM 781 CB LEU A 51 6.096 0.356 -1.021 1.00 0.00 C ATOM 782 CG LEU A 51 4.944 0.525 -0.045 1.00 0.00 C ATOM 783 CD1 LEU A 51 5.484 1.032 1.270 1.00 0.00 C ATOM 784 CD2 LEU A 51 3.932 1.516 -0.579 1.00 0.00 C ATOM 0 H LEU A 51 8.129 -0.805 -2.375 1.00 0.00 H new ATOM 0 HA LEU A 51 7.556 -0.123 0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.490 1.343 -1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.705 -0.068 -1.946 1.00 0.00 H new ATOM 0 HG LEU A 51 4.453 -0.439 0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.663 1.156 1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.201 0.315 1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.978 1.991 1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.115 1.622 0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.413 2.483 -0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.538 1.157 -1.530 1.00 0.00 H new ATOM 796 N GLN A 52 6.832 -2.376 0.900 1.00 0.00 N ATOM 797 CA GLN A 52 6.484 -3.713 1.278 1.00 0.00 C ATOM 798 C GLN A 52 5.208 -3.672 2.107 1.00 0.00 C ATOM 799 O GLN A 52 5.049 -2.806 2.967 1.00 0.00 O ATOM 800 CB GLN A 52 7.626 -4.318 2.073 1.00 0.00 C ATOM 801 CG GLN A 52 7.423 -5.749 2.489 1.00 0.00 C ATOM 802 CD GLN A 52 8.565 -6.281 3.310 1.00 0.00 C ATOM 803 OE1 GLN A 52 8.569 -6.168 4.538 1.00 0.00 O ATOM 804 NE2 GLN A 52 9.534 -6.860 2.660 1.00 0.00 N ATOM 0 H GLN A 52 7.060 -1.773 1.690 1.00 0.00 H new ATOM 0 HA GLN A 52 6.311 -4.329 0.395 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.537 -4.254 1.478 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.786 -3.715 2.967 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.500 -5.829 3.063 1.00 0.00 H new ATOM 0 HG3 GLN A 52 7.300 -6.368 1.600 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.494 -6.934 1.643 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.333 -7.240 3.168 1.00 0.00 H new ATOM 813 N ILE A 53 4.298 -4.571 1.842 1.00 0.00 N ATOM 814 CA ILE A 53 3.021 -4.566 2.523 1.00 0.00 C ATOM 815 C ILE A 53 2.814 -5.900 3.240 1.00 0.00 C ATOM 816 O ILE A 53 3.135 -6.963 2.705 1.00 0.00 O ATOM 817 CB ILE A 53 1.851 -4.334 1.517 1.00 0.00 C ATOM 818 CG1 ILE A 53 2.090 -3.082 0.644 1.00 0.00 C ATOM 819 CG2 ILE A 53 0.510 -4.224 2.239 1.00 0.00 C ATOM 820 CD1 ILE A 53 2.203 -1.781 1.378 1.00 0.00 C ATOM 0 H ILE A 53 4.413 -5.320 1.159 1.00 0.00 H new ATOM 0 HA ILE A 53 3.024 -3.751 3.247 1.00 0.00 H new ATOM 0 HB ILE A 53 1.820 -5.204 0.862 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.004 -3.233 0.070 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.273 -3.002 -0.073 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.284 -4.063 1.510 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.316 -5.145 2.789 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.539 -3.386 2.935 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.370 -0.974 0.665 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.282 -1.593 1.930 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.040 -1.828 2.075 1.00 0.00 H new ATOM 832 N THR A 54 2.354 -5.839 4.452 1.00 0.00 N ATOM 833 CA THR A 54 2.044 -7.010 5.224 1.00 0.00 C ATOM 834 C THR A 54 0.630 -6.853 5.769 1.00 0.00 C ATOM 835 O THR A 54 0.216 -5.764 6.039 1.00 0.00 O ATOM 836 CB THR A 54 3.047 -7.147 6.383 1.00 0.00 C ATOM 837 OG1 THR A 54 4.378 -7.106 5.835 1.00 0.00 O ATOM 838 CG2 THR A 54 2.842 -8.464 7.134 1.00 0.00 C ATOM 0 H THR A 54 2.180 -4.962 4.943 1.00 0.00 H new ATOM 0 HA THR A 54 2.109 -7.905 4.605 1.00 0.00 H new ATOM 0 HB THR A 54 2.895 -6.331 7.089 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.033 -7.190 6.559 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.564 -8.535 7.948 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.832 -8.497 7.541 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.984 -9.300 6.449 1.00 0.00 H new ATOM 846 N ASN A 55 -0.117 -7.911 5.865 1.00 0.00 N ATOM 847 CA ASN A 55 -1.473 -7.821 6.385 1.00 0.00 C ATOM 848 C ASN A 55 -1.436 -7.593 7.891 1.00 0.00 C ATOM 849 O ASN A 55 -0.638 -8.210 8.585 1.00 0.00 O ATOM 850 CB ASN A 55 -2.238 -9.086 6.092 1.00 0.00 C ATOM 851 CG ASN A 55 -3.712 -8.906 6.227 1.00 0.00 C ATOM 852 OD1 ASN A 55 -4.261 -8.948 7.312 1.00 0.00 O ATOM 853 ND2 ASN A 55 -4.368 -8.778 5.155 1.00 0.00 N ATOM 0 H ASN A 55 0.176 -8.850 5.594 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.973 -6.983 5.898 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.007 -9.420 5.081 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.908 -9.872 6.771 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.385 -8.707 5.185 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.881 -8.746 4.260 1.00 0.00 H new ATOM 860 N ALA A 56 -2.294 -6.721 8.393 1.00 0.00 N ATOM 861 CA ALA A 56 -2.322 -6.417 9.824 1.00 0.00 C ATOM 862 C ALA A 56 -3.027 -7.513 10.599 1.00 0.00 C ATOM 863 O ALA A 56 -2.751 -7.741 11.768 1.00 0.00 O ATOM 864 CB ALA A 56 -3.013 -5.083 10.073 1.00 0.00 C ATOM 0 H ALA A 56 -2.980 -6.210 7.838 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.291 -6.354 10.172 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.025 -4.873 11.143 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.473 -4.291 9.554 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.037 -5.128 9.701 1.00 0.00 H new ATOM 870 N GLN A 57 -3.909 -8.204 9.932 1.00 0.00 N ATOM 871 CA GLN A 57 -4.706 -9.219 10.567 1.00 0.00 C ATOM 872 C GLN A 57 -4.082 -10.598 10.408 1.00 0.00 C ATOM 873 O GLN A 57 -3.865 -11.292 11.390 1.00 0.00 O ATOM 874 CB GLN A 57 -6.110 -9.236 9.973 1.00 0.00 C ATOM 875 CG GLN A 57 -6.855 -7.907 10.051 1.00 0.00 C ATOM 876 CD GLN A 57 -7.055 -7.394 11.458 1.00 0.00 C ATOM 877 OE1 GLN A 57 -7.164 -8.165 12.408 1.00 0.00 O ATOM 878 NE2 GLN A 57 -7.107 -6.100 11.600 1.00 0.00 N ATOM 0 H GLN A 57 -4.096 -8.081 8.937 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.755 -8.979 11.629 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.043 -9.538 8.928 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.698 -9.996 10.488 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.305 -7.160 9.478 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.829 -8.020 9.575 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.012 -5.493 10.786 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -7.243 -5.694 12.526 1.00 0.00 H new ATOM 887 N THR A 58 -3.768 -10.972 9.171 1.00 0.00 N ATOM 888 CA THR A 58 -3.308 -12.323 8.882 1.00 0.00 C ATOM 889 C THR A 58 -1.798 -12.399 8.972 1.00 0.00 C ATOM 890 O THR A 58 -1.212 -13.490 9.026 1.00 0.00 O ATOM 891 CB THR A 58 -3.747 -12.765 7.460 1.00 0.00 C ATOM 892 OG1 THR A 58 -3.031 -12.011 6.476 1.00 0.00 O ATOM 893 CG2 THR A 58 -5.228 -12.497 7.254 1.00 0.00 C ATOM 0 H THR A 58 -3.824 -10.360 8.357 1.00 0.00 H new ATOM 0 HA THR A 58 -3.755 -12.988 9.621 1.00 0.00 H new ATOM 0 HB THR A 58 -3.540 -13.830 7.360 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.310 -12.294 5.580 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.519 -12.813 6.252 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.805 -13.055 7.992 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.424 -11.431 7.370 1.00 0.00 H new ATOM 901 N LYS A 59 -1.175 -11.215 8.948 1.00 0.00 N ATOM 902 CA LYS A 59 0.272 -11.046 9.012 1.00 0.00 C ATOM 903 C LYS A 59 0.967 -11.610 7.778 1.00 0.00 C ATOM 904 O LYS A 59 2.169 -11.867 7.794 1.00 0.00 O ATOM 905 CB LYS A 59 0.852 -11.633 10.311 1.00 0.00 C ATOM 906 CG LYS A 59 0.281 -11.008 11.588 1.00 0.00 C ATOM 907 CD LYS A 59 0.493 -9.489 11.644 1.00 0.00 C ATOM 908 CE LYS A 59 1.977 -9.101 11.614 1.00 0.00 C ATOM 909 NZ LYS A 59 2.732 -9.657 12.763 1.00 0.00 N ATOM 0 H LYS A 59 -1.679 -10.331 8.882 1.00 0.00 H new ATOM 0 HA LYS A 59 0.469 -9.974 9.023 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.663 -12.706 10.328 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.934 -11.500 10.306 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.785 -11.225 11.650 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.751 -11.470 12.456 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.018 -9.023 10.802 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.036 -9.095 12.552 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.423 -9.455 10.685 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.065 -8.015 11.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.703 -9.285 12.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.265 -9.383 13.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.758 -10.694 12.692 1.00 0.00 H new ATOM 923 N GLU A 60 0.224 -11.739 6.691 1.00 0.00 N ATOM 924 CA GLU A 60 0.785 -12.253 5.457 1.00 0.00 C ATOM 925 C GLU A 60 1.470 -11.129 4.700 1.00 0.00 C ATOM 926 O GLU A 60 0.892 -10.049 4.543 1.00 0.00 O ATOM 927 CB GLU A 60 -0.320 -12.835 4.582 1.00 0.00 C ATOM 928 CG GLU A 60 0.179 -13.463 3.291 1.00 0.00 C ATOM 929 CD GLU A 60 -0.936 -13.936 2.402 1.00 0.00 C ATOM 930 OE1 GLU A 60 -1.625 -14.897 2.760 1.00 0.00 O ATOM 931 OE2 GLU A 60 -1.134 -13.364 1.313 1.00 0.00 O ATOM 0 H GLU A 60 -0.765 -11.495 6.640 1.00 0.00 H new ATOM 0 HA GLU A 60 1.507 -13.033 5.699 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.863 -13.587 5.154 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.031 -12.045 4.339 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.785 -12.736 2.750 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.829 -14.305 3.530 1.00 0.00 H new ATOM 938 N GLU A 61 2.688 -11.352 4.263 1.00 0.00 N ATOM 939 CA GLU A 61 3.358 -10.409 3.446 1.00 0.00 C ATOM 940 C GLU A 61 2.898 -10.533 2.038 1.00 0.00 C ATOM 941 O GLU A 61 2.615 -11.631 1.557 1.00 0.00 O ATOM 942 CB GLU A 61 4.840 -10.602 3.486 1.00 0.00 C ATOM 943 CG GLU A 61 5.488 -10.104 4.730 1.00 0.00 C ATOM 944 CD GLU A 61 6.974 -10.266 4.680 1.00 0.00 C ATOM 945 OE1 GLU A 61 7.475 -11.392 4.864 1.00 0.00 O ATOM 946 OE2 GLU A 61 7.681 -9.276 4.449 1.00 0.00 O ATOM 0 H GLU A 61 3.227 -12.193 4.471 1.00 0.00 H new ATOM 0 HA GLU A 61 3.123 -9.418 3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.060 -11.664 3.376 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.284 -10.094 2.630 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.241 -9.052 4.874 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.091 -10.645 5.589 1.00 0.00 H new ATOM 953 N TYR A 62 2.813 -9.440 1.391 1.00 0.00 N ATOM 954 CA TYR A 62 2.444 -9.422 0.011 1.00 0.00 C ATOM 955 C TYR A 62 3.688 -9.181 -0.808 1.00 0.00 C ATOM 956 O TYR A 62 4.185 -8.053 -0.906 1.00 0.00 O ATOM 957 CB TYR A 62 1.348 -8.394 -0.268 1.00 0.00 C ATOM 958 CG TYR A 62 0.078 -8.653 0.517 1.00 0.00 C ATOM 959 CD1 TYR A 62 -0.823 -9.624 0.108 1.00 0.00 C ATOM 960 CD2 TYR A 62 -0.209 -7.941 1.670 1.00 0.00 C ATOM 961 CE1 TYR A 62 -1.975 -9.877 0.817 1.00 0.00 C ATOM 962 CE2 TYR A 62 -1.361 -8.188 2.389 1.00 0.00 C ATOM 963 CZ TYR A 62 -2.240 -9.158 1.957 1.00 0.00 C ATOM 964 OH TYR A 62 -3.390 -9.406 2.669 1.00 0.00 O ATOM 0 H TYR A 62 2.996 -8.521 1.794 1.00 0.00 H new ATOM 0 HA TYR A 62 2.015 -10.383 -0.271 1.00 0.00 H new ATOM 0 HB2 TYR A 62 1.721 -7.399 -0.026 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.117 -8.398 -1.333 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.616 -10.194 -0.786 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.479 -7.181 2.011 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.666 -10.635 0.479 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.573 -7.624 3.285 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.645 -10.346 2.561 1.00 0.00 H new ATOM 974 N THR A 63 4.221 -10.254 -1.326 1.00 0.00 N ATOM 975 CA THR A 63 5.473 -10.233 -2.024 1.00 0.00 C ATOM 976 C THR A 63 5.310 -10.010 -3.523 1.00 0.00 C ATOM 977 O THR A 63 6.203 -9.477 -4.175 1.00 0.00 O ATOM 978 CB THR A 63 6.229 -11.545 -1.757 1.00 0.00 C ATOM 979 OG1 THR A 63 5.335 -12.665 -1.964 1.00 0.00 O ATOM 980 CG2 THR A 63 6.750 -11.579 -0.325 1.00 0.00 C ATOM 0 H THR A 63 3.791 -11.177 -1.273 1.00 0.00 H new ATOM 0 HA THR A 63 6.046 -9.387 -1.645 1.00 0.00 H new ATOM 0 HB THR A 63 7.074 -11.608 -2.443 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.815 -13.502 -1.796 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.282 -12.515 -0.154 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.428 -10.741 -0.165 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.912 -11.506 0.369 1.00 0.00 H new ATOM 988 N ASP A 64 4.180 -10.404 -4.070 1.00 0.00 N ATOM 989 CA ASP A 64 3.974 -10.250 -5.502 1.00 0.00 C ATOM 990 C ASP A 64 3.111 -9.052 -5.719 1.00 0.00 C ATOM 991 O ASP A 64 2.182 -8.834 -4.959 1.00 0.00 O ATOM 992 CB ASP A 64 3.265 -11.446 -6.106 1.00 0.00 C ATOM 993 CG ASP A 64 3.517 -11.537 -7.570 1.00 0.00 C ATOM 994 OD1 ASP A 64 2.954 -10.751 -8.297 1.00 0.00 O ATOM 995 OD2 ASP A 64 4.293 -12.406 -8.011 1.00 0.00 O ATOM 0 H ASP A 64 3.402 -10.825 -3.562 1.00 0.00 H new ATOM 0 HA ASP A 64 4.950 -10.151 -5.977 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.606 -12.359 -5.618 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.193 -11.368 -5.923 1.00 0.00 H new ATOM 1000 N ASP A 65 3.358 -8.307 -6.768 1.00 0.00 N ATOM 1001 CA ASP A 65 2.597 -7.090 -7.021 1.00 0.00 C ATOM 1002 C ASP A 65 1.197 -7.395 -7.523 1.00 0.00 C ATOM 1003 O ASP A 65 0.332 -6.505 -7.571 1.00 0.00 O ATOM 1004 CB ASP A 65 3.309 -6.148 -7.982 1.00 0.00 C ATOM 1005 CG ASP A 65 3.317 -6.625 -9.423 1.00 0.00 C ATOM 1006 OD1 ASP A 65 4.263 -7.342 -9.810 1.00 0.00 O ATOM 1007 OD2 ASP A 65 2.416 -6.243 -10.206 1.00 0.00 O ATOM 0 H ASP A 65 4.075 -8.513 -7.463 1.00 0.00 H new ATOM 0 HA ASP A 65 2.515 -6.582 -6.060 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.830 -5.170 -7.937 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.338 -6.015 -7.648 1.00 0.00 H new ATOM 1012 N ASN A 66 0.969 -8.649 -7.864 1.00 0.00 N ATOM 1013 CA ASN A 66 -0.332 -9.104 -8.328 1.00 0.00 C ATOM 1014 C ASN A 66 -1.220 -9.455 -7.163 1.00 0.00 C ATOM 1015 O ASN A 66 -2.393 -9.822 -7.351 1.00 0.00 O ATOM 1016 CB ASN A 66 -0.205 -10.298 -9.271 1.00 0.00 C ATOM 1017 CG ASN A 66 0.528 -9.960 -10.538 1.00 0.00 C ATOM 1018 OD1 ASN A 66 -0.072 -9.606 -11.554 1.00 0.00 O ATOM 1019 ND2 ASN A 66 1.818 -10.041 -10.483 1.00 0.00 N ATOM 0 H ASN A 66 1.678 -9.382 -7.828 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.786 -8.283 -8.883 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.317 -11.107 -8.759 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -1.200 -10.667 -9.519 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.379 -9.807 -11.302 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.274 -10.339 -9.621 1.00 0.00 H new ATOM 1026 N ALA A 67 -0.668 -9.366 -5.957 1.00 0.00 N ATOM 1027 CA ALA A 67 -1.438 -9.561 -4.756 1.00 0.00 C ATOM 1028 C ALA A 67 -2.453 -8.436 -4.671 1.00 0.00 C ATOM 1029 O ALA A 67 -2.155 -7.325 -5.046 1.00 0.00 O ATOM 1030 CB ALA A 67 -0.527 -9.575 -3.543 1.00 0.00 C ATOM 0 H ALA A 67 0.318 -9.158 -5.796 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.954 -10.521 -4.780 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.123 -9.723 -2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.194 -10.387 -3.639 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.003 -8.625 -3.475 1.00 0.00 H new ATOM 1036 N LEU A 68 -3.636 -8.722 -4.247 1.00 0.00 N ATOM 1037 CA LEU A 68 -4.683 -7.721 -4.250 1.00 0.00 C ATOM 1038 C LEU A 68 -5.149 -7.445 -2.841 1.00 0.00 C ATOM 1039 O LEU A 68 -5.264 -8.378 -2.029 1.00 0.00 O ATOM 1040 CB LEU A 68 -5.832 -8.173 -5.161 1.00 0.00 C ATOM 1041 CG LEU A 68 -6.638 -9.382 -4.683 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -7.824 -8.939 -3.868 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -7.054 -10.263 -5.834 1.00 0.00 C ATOM 0 H LEU A 68 -3.917 -9.636 -3.891 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.293 -6.785 -4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.516 -7.335 -5.291 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.420 -8.403 -6.144 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.994 -9.983 -4.041 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.385 -9.813 -3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.479 -8.379 -2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.467 -8.304 -4.477 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.624 -11.111 -5.455 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.672 -9.690 -6.526 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.167 -10.625 -6.354 1.00 0.00 H new ATOM 1055 N ILE A 69 -5.361 -6.199 -2.512 1.00 0.00 N ATOM 1056 CA ILE A 69 -5.839 -5.884 -1.194 1.00 0.00 C ATOM 1057 C ILE A 69 -7.215 -5.196 -1.268 1.00 0.00 C ATOM 1058 O ILE A 69 -7.369 -4.151 -1.899 1.00 0.00 O ATOM 1059 CB ILE A 69 -4.841 -5.023 -0.325 1.00 0.00 C ATOM 1060 CG1 ILE A 69 -3.474 -5.720 -0.135 1.00 0.00 C ATOM 1061 CG2 ILE A 69 -5.443 -4.701 1.039 1.00 0.00 C ATOM 1062 CD1 ILE A 69 -2.525 -5.620 -1.313 1.00 0.00 C ATOM 0 H ILE A 69 -5.213 -5.398 -3.126 1.00 0.00 H new ATOM 0 HA ILE A 69 -5.927 -6.841 -0.680 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.673 -4.097 -0.875 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.986 -5.293 0.741 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.649 -6.774 0.080 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.736 -4.107 1.618 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.366 -4.137 0.905 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.658 -5.628 1.570 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.597 -6.141 -1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.984 -6.076 -2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.311 -4.571 -1.519 1.00 0.00 H new ATOM 1074 N PRO A 70 -8.234 -5.835 -0.698 1.00 0.00 N ATOM 1075 CA PRO A 70 -9.578 -5.280 -0.607 1.00 0.00 C ATOM 1076 C PRO A 70 -9.720 -4.214 0.487 1.00 0.00 C ATOM 1077 O PRO A 70 -9.020 -4.238 1.502 1.00 0.00 O ATOM 1078 CB PRO A 70 -10.445 -6.494 -0.283 1.00 0.00 C ATOM 1079 CG PRO A 70 -9.526 -7.454 0.391 1.00 0.00 C ATOM 1080 CD PRO A 70 -8.152 -7.182 -0.126 1.00 0.00 C ATOM 0 HA PRO A 70 -9.857 -4.767 -1.527 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -11.278 -6.223 0.366 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -10.873 -6.926 -1.187 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.563 -7.327 1.473 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.821 -8.482 0.180 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.411 -7.230 0.672 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.859 -7.915 -0.877 1.00 0.00 H new ATOM 1088 N LYS A 71 -10.663 -3.306 0.278 1.00 0.00 N ATOM 1089 CA LYS A 71 -10.958 -2.181 1.204 1.00 0.00 C ATOM 1090 C LYS A 71 -11.319 -2.623 2.623 1.00 0.00 C ATOM 1091 O LYS A 71 -11.193 -1.863 3.570 1.00 0.00 O ATOM 1092 CB LYS A 71 -12.096 -1.326 0.654 1.00 0.00 C ATOM 1093 CG LYS A 71 -13.284 -2.123 0.184 1.00 0.00 C ATOM 1094 CD LYS A 71 -14.488 -1.249 -0.064 1.00 0.00 C ATOM 1095 CE LYS A 71 -15.646 -2.055 -0.601 1.00 0.00 C ATOM 1096 NZ LYS A 71 -16.794 -1.205 -0.947 1.00 0.00 N ATOM 0 H LYS A 71 -11.263 -3.315 -0.547 1.00 0.00 H new ATOM 0 HA LYS A 71 -10.033 -1.608 1.270 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.421 -0.629 1.427 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.720 -0.728 -0.176 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.025 -2.653 -0.733 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.532 -2.879 0.930 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.782 -0.759 0.864 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.230 -0.462 -0.772 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.325 -2.608 -1.484 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.951 -2.791 0.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.567 -1.797 -1.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.118 -0.697 -0.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.511 -0.519 -1.675 1.00 0.00 H new ATOM 1110 N ASN A 72 -11.759 -3.836 2.762 1.00 0.00 N ATOM 1111 CA ASN A 72 -12.195 -4.349 4.054 1.00 0.00 C ATOM 1112 C ASN A 72 -11.041 -4.924 4.848 1.00 0.00 C ATOM 1113 O ASN A 72 -11.215 -5.380 5.981 1.00 0.00 O ATOM 1114 CB ASN A 72 -13.311 -5.385 3.892 1.00 0.00 C ATOM 1115 CG ASN A 72 -12.948 -6.572 3.005 1.00 0.00 C ATOM 1116 OD1 ASN A 72 -11.788 -6.989 2.906 1.00 0.00 O ATOM 1117 ND2 ASN A 72 -13.932 -7.122 2.353 1.00 0.00 N ATOM 0 H ASN A 72 -11.831 -4.506 1.997 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.594 -3.504 4.616 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.591 -5.756 4.878 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -14.190 -4.892 3.476 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.756 -7.919 1.741 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.879 -6.756 2.455 1.00 0.00 H new ATOM 1124 N SER A 73 -9.883 -4.909 4.268 1.00 0.00 N ATOM 1125 CA SER A 73 -8.735 -5.450 4.900 1.00 0.00 C ATOM 1126 C SER A 73 -7.805 -4.339 5.370 1.00 0.00 C ATOM 1127 O SER A 73 -7.742 -3.261 4.770 1.00 0.00 O ATOM 1128 CB SER A 73 -8.049 -6.420 3.951 1.00 0.00 C ATOM 1129 OG SER A 73 -8.959 -7.465 3.607 1.00 0.00 O ATOM 0 H SER A 73 -9.713 -4.519 3.341 1.00 0.00 H new ATOM 0 HA SER A 73 -9.030 -6.004 5.791 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.721 -5.897 3.053 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.158 -6.837 4.420 1.00 0.00 H new ATOM 0 HG SER A 73 -9.866 -7.100 3.539 1.00 0.00 H new ATOM 1135 N SER A 74 -7.137 -4.589 6.457 1.00 0.00 N ATOM 1136 CA SER A 74 -6.230 -3.655 7.035 1.00 0.00 C ATOM 1137 C SER A 74 -4.815 -4.167 6.835 1.00 0.00 C ATOM 1138 O SER A 74 -4.497 -5.317 7.220 1.00 0.00 O ATOM 1139 CB SER A 74 -6.560 -3.509 8.517 1.00 0.00 C ATOM 1140 OG SER A 74 -6.594 -4.792 9.142 1.00 0.00 O ATOM 0 H SER A 74 -7.212 -5.466 6.973 1.00 0.00 H new ATOM 0 HA SER A 74 -6.316 -2.677 6.562 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.815 -2.879 9.003 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.523 -3.013 8.636 1.00 0.00 H new ATOM 0 HG SER A 74 -5.963 -5.392 8.692 1.00 0.00 H new ATOM 1146 N VAL A 75 -3.980 -3.372 6.233 1.00 0.00 N ATOM 1147 CA VAL A 75 -2.632 -3.787 5.948 1.00 0.00 C ATOM 1148 C VAL A 75 -1.582 -2.841 6.550 1.00 0.00 C ATOM 1149 O VAL A 75 -1.825 -1.646 6.746 1.00 0.00 O ATOM 1150 CB VAL A 75 -2.390 -4.046 4.416 1.00 0.00 C ATOM 1151 CG1 VAL A 75 -3.134 -5.292 3.957 1.00 0.00 C ATOM 1152 CG2 VAL A 75 -2.853 -2.874 3.566 1.00 0.00 C ATOM 0 H VAL A 75 -4.208 -2.426 5.927 1.00 0.00 H new ATOM 0 HA VAL A 75 -2.503 -4.747 6.447 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.316 -4.179 4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.953 -5.453 2.894 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.780 -6.155 4.520 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.203 -5.161 4.127 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.669 -3.092 2.514 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.920 -2.711 3.721 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.303 -1.977 3.852 1.00 0.00 H new ATOM 1162 N ILE A 76 -0.453 -3.405 6.875 1.00 0.00 N ATOM 1163 CA ILE A 76 0.683 -2.715 7.433 1.00 0.00 C ATOM 1164 C ILE A 76 1.585 -2.352 6.282 1.00 0.00 C ATOM 1165 O ILE A 76 1.967 -3.218 5.475 1.00 0.00 O ATOM 1166 CB ILE A 76 1.492 -3.629 8.414 1.00 0.00 C ATOM 1167 CG1 ILE A 76 0.606 -4.162 9.554 1.00 0.00 C ATOM 1168 CG2 ILE A 76 2.715 -2.899 8.979 1.00 0.00 C ATOM 1169 CD1 ILE A 76 0.016 -3.090 10.450 1.00 0.00 C ATOM 0 H ILE A 76 -0.289 -4.404 6.754 1.00 0.00 H new ATOM 0 HA ILE A 76 0.336 -1.844 7.989 1.00 0.00 H new ATOM 0 HB ILE A 76 1.844 -4.483 7.836 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.208 -4.744 9.122 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.196 -4.844 10.166 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.254 -3.562 9.656 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.372 -2.603 8.161 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.390 -2.012 9.522 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.593 -3.557 11.224 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.821 -2.521 10.916 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.605 -2.420 9.855 1.00 0.00 H new ATOM 1181 N VAL A 77 1.911 -1.116 6.189 1.00 0.00 N ATOM 1182 CA VAL A 77 2.707 -0.625 5.119 1.00 0.00 C ATOM 1183 C VAL A 77 4.105 -0.323 5.642 1.00 0.00 C ATOM 1184 O VAL A 77 4.276 0.459 6.588 1.00 0.00 O ATOM 1185 CB VAL A 77 2.040 0.619 4.515 1.00 0.00 C ATOM 1186 CG1 VAL A 77 2.819 1.148 3.360 1.00 0.00 C ATOM 1187 CG2 VAL A 77 0.646 0.270 4.077 1.00 0.00 C ATOM 0 H VAL A 77 1.630 -0.404 6.863 1.00 0.00 H new ATOM 0 HA VAL A 77 2.793 -1.371 4.329 1.00 0.00 H new ATOM 0 HB VAL A 77 2.007 1.397 5.277 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.319 2.028 2.956 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.821 1.420 3.691 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.888 0.383 2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.168 1.151 3.647 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.687 -0.522 3.329 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.070 -0.072 4.936 1.00 0.00 H new ATOM 1197 N ARG A 78 5.080 -0.955 5.051 1.00 0.00 N ATOM 1198 CA ARG A 78 6.441 -0.881 5.509 1.00 0.00 C ATOM 1199 C ARG A 78 7.381 -0.450 4.384 1.00 0.00 C ATOM 1200 O ARG A 78 7.303 -0.948 3.260 1.00 0.00 O ATOM 1201 CB ARG A 78 6.837 -2.258 6.051 1.00 0.00 C ATOM 1202 CG ARG A 78 8.275 -2.391 6.493 1.00 0.00 C ATOM 1203 CD ARG A 78 8.543 -3.791 6.992 1.00 0.00 C ATOM 1204 NE ARG A 78 9.942 -3.999 7.344 1.00 0.00 N ATOM 1205 CZ ARG A 78 10.445 -5.152 7.785 1.00 0.00 C ATOM 1206 NH1 ARG A 78 9.652 -6.208 7.950 1.00 0.00 N ATOM 1207 NH2 ARG A 78 11.741 -5.258 8.033 1.00 0.00 N ATOM 0 H ARG A 78 4.951 -1.543 4.228 1.00 0.00 H new ATOM 0 HA ARG A 78 6.523 -0.131 6.296 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.191 -2.496 6.896 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.641 -3.003 5.280 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.941 -2.160 5.661 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.488 -1.670 7.282 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.919 -3.988 7.864 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.254 -4.509 6.224 1.00 0.00 H new ATOM 0 HE ARG A 78 10.579 -3.209 7.246 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.657 -6.136 7.739 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.040 -7.089 8.288 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.355 -4.457 7.887 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.125 -6.141 8.370 1.00 0.00 H new ATOM 1221 N ARG A 79 8.253 0.468 4.692 1.00 0.00 N ATOM 1222 CA ARG A 79 9.226 0.953 3.752 1.00 0.00 C ATOM 1223 C ARG A 79 10.482 0.105 3.863 1.00 0.00 C ATOM 1224 O ARG A 79 11.119 0.064 4.919 1.00 0.00 O ATOM 1225 CB ARG A 79 9.541 2.419 4.050 1.00 0.00 C ATOM 1226 CG ARG A 79 10.612 3.034 3.174 1.00 0.00 C ATOM 1227 CD ARG A 79 10.812 4.492 3.531 1.00 0.00 C ATOM 1228 NE ARG A 79 11.867 5.134 2.734 1.00 0.00 N ATOM 1229 CZ ARG A 79 11.931 6.454 2.489 1.00 0.00 C ATOM 1230 NH1 ARG A 79 11.017 7.277 3.017 1.00 0.00 N ATOM 1231 NH2 ARG A 79 12.913 6.949 1.739 1.00 0.00 N ATOM 0 H ARG A 79 8.310 0.906 5.612 1.00 0.00 H new ATOM 0 HA ARG A 79 8.835 0.883 2.737 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.626 3.001 3.942 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.851 2.504 5.091 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.549 2.491 3.298 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.329 2.945 2.125 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.875 5.029 3.385 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.063 4.571 4.589 1.00 0.00 H new ATOM 0 HE ARG A 79 12.597 4.540 2.342 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.272 6.902 3.605 1.00 0.00 H new ATOM 0 HH12 ARG A 79 11.065 8.279 2.831 1.00 0.00 H new ATOM 0 HH21 ARG A 79 13.620 6.326 1.348 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.959 7.951 1.555 1.00 0.00 H new ATOM 1245 N ILE A 80 10.822 -0.586 2.806 1.00 0.00 N ATOM 1246 CA ILE A 80 11.988 -1.433 2.816 1.00 0.00 C ATOM 1247 C ILE A 80 12.976 -0.949 1.760 1.00 0.00 C ATOM 1248 O ILE A 80 12.567 -0.347 0.770 1.00 0.00 O ATOM 1249 CB ILE A 80 11.625 -2.970 2.661 1.00 0.00 C ATOM 1250 CG1 ILE A 80 10.963 -3.327 1.322 1.00 0.00 C ATOM 1251 CG2 ILE A 80 10.744 -3.438 3.794 1.00 0.00 C ATOM 1252 CD1 ILE A 80 11.942 -3.650 0.209 1.00 0.00 C ATOM 0 H ILE A 80 10.307 -0.579 1.925 1.00 0.00 H new ATOM 0 HA ILE A 80 12.466 -1.355 3.793 1.00 0.00 H new ATOM 0 HB ILE A 80 12.583 -3.489 2.690 1.00 0.00 H new ATOM 0 HG12 ILE A 80 10.306 -4.183 1.472 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.335 -2.494 1.007 1.00 0.00 H new ATOM 0 HG21 ILE A 80 10.511 -4.495 3.661 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.264 -3.297 4.741 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.819 -2.861 3.798 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.392 -3.891 -0.701 1.00 0.00 H new ATOM 0 HD12 ILE A 80 12.584 -2.788 0.028 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.554 -4.504 0.499 1.00 0.00 H new ATOM 1264 N PRO A 81 14.270 -1.150 1.964 1.00 0.00 N ATOM 1265 CA PRO A 81 15.286 -0.702 1.015 1.00 0.00 C ATOM 1266 C PRO A 81 15.227 -1.490 -0.300 1.00 0.00 C ATOM 1267 O PRO A 81 15.032 -2.710 -0.301 1.00 0.00 O ATOM 1268 CB PRO A 81 16.602 -0.993 1.749 1.00 0.00 C ATOM 1269 CG PRO A 81 16.265 -2.098 2.684 1.00 0.00 C ATOM 1270 CD PRO A 81 14.865 -1.837 3.128 1.00 0.00 C ATOM 0 HA PRO A 81 15.158 0.344 0.735 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.389 -1.286 1.054 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.961 -0.114 2.285 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.345 -3.067 2.191 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.948 -2.115 3.533 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.338 -2.761 3.364 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.835 -1.215 4.023 1.00 0.00 H new