USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=24 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 55 ASN : amide:sc= 2.74 K(o=3,f=-10!) USER MOD Set 1.2: A 58 THR OG1 : rot 180:sc= -0.49 USER MOD Set 1.3: A 62 TYR OH : rot 30:sc= 0.736 USER MOD Set 2.1: A 57 GLN : amide:sc= -0.595 K(o=-0.59,f=-2.2) USER MOD Set 2.2: A 74 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 32 CYS SG : rot 180:sc= -0.657 USER MOD Set 3.2: A 36 LYS NZ :NH3+ -175:sc= 0.992 (180deg=0.957) USER MOD Single : A 7 SER OG : rot -147:sc= 1.03 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 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= -0.043 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0528 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -150:sc= 1.09 (180deg=0.237) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.00701 USER MOD Single : A 28 HIS : no HD1:sc= -1.95! C(o=-1.9!,f=-2.5!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 154:sc= 2.37 (180deg=2.07) USER MOD Single : A 37 GLN : amide:sc= 1.13 K(o=1.1,f=-0.39) USER MOD Single : A 39 MET CE :methyl -163:sc= -0.39 (180deg=-0.953) USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= -0.0131 (180deg=-0.141) USER MOD Single : A 45 LYS NZ :NH3+ -131:sc= -0.573 (180deg=-2.4!) USER MOD Single : A 49 CYS SG : rot 45:sc= 1.24 USER MOD Single : A 52 GLN : amide:sc= -0.0714 K(o=-0.071,f=-1.8!) USER MOD Single : A 54 THR OG1 : rot 120:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0383) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0856 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.902 K(o=-0.9,f=-7.9!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 7 -14.013 4.061 -1.861 1.00 0.00 N ATOM 79 CA SER A 7 -13.278 2.886 -1.570 1.00 0.00 C ATOM 80 C SER A 7 -12.008 3.292 -0.874 1.00 0.00 C ATOM 81 O SER A 7 -11.225 4.062 -1.423 1.00 0.00 O ATOM 82 CB SER A 7 -12.965 2.240 -2.890 1.00 0.00 C ATOM 83 OG SER A 7 -14.109 2.284 -3.744 1.00 0.00 O ATOM 0 HA SER A 7 -13.828 2.196 -0.930 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.128 2.752 -3.364 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.658 1.206 -2.733 1.00 0.00 H new ATOM 0 HG SER A 7 -14.125 1.485 -4.311 1.00 0.00 H new ATOM 89 N CYS A 8 -11.811 2.827 0.313 1.00 0.00 N ATOM 90 CA CYS A 8 -10.680 3.257 1.054 1.00 0.00 C ATOM 91 C CYS A 8 -10.019 2.115 1.782 1.00 0.00 C ATOM 92 O CYS A 8 -10.687 1.289 2.398 1.00 0.00 O ATOM 93 CB CYS A 8 -11.092 4.380 2.018 1.00 0.00 C ATOM 94 SG CYS A 8 -12.392 3.931 3.202 1.00 0.00 S ATOM 0 H CYS A 8 -12.414 2.154 0.786 1.00 0.00 H new ATOM 0 HA CYS A 8 -9.938 3.648 0.357 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.212 4.704 2.573 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -11.433 5.234 1.433 1.00 0.00 H new ATOM 0 HG CYS A 8 -12.656 4.951 3.964 1.00 0.00 H new ATOM 100 N VAL A 9 -8.724 2.053 1.694 1.00 0.00 N ATOM 101 CA VAL A 9 -7.967 1.067 2.422 1.00 0.00 C ATOM 102 C VAL A 9 -7.262 1.768 3.554 1.00 0.00 C ATOM 103 O VAL A 9 -6.585 2.790 3.333 1.00 0.00 O ATOM 104 CB VAL A 9 -6.901 0.334 1.536 1.00 0.00 C ATOM 105 CG1 VAL A 9 -6.038 -0.582 2.378 1.00 0.00 C ATOM 106 CG2 VAL A 9 -7.549 -0.477 0.435 1.00 0.00 C ATOM 0 H VAL A 9 -8.160 2.679 1.119 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.661 0.306 2.778 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.282 1.109 1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.306 -1.079 1.741 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.520 0.003 3.138 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.666 -1.330 2.862 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.777 -0.969 -0.157 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.204 -1.229 0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.133 0.182 -0.207 1.00 0.00 H new ATOM 116 N HIS A 10 -7.476 1.275 4.754 1.00 0.00 N ATOM 117 CA HIS A 10 -6.801 1.792 5.920 1.00 0.00 C ATOM 118 C HIS A 10 -5.410 1.246 5.934 1.00 0.00 C ATOM 119 O HIS A 10 -5.219 0.034 5.952 1.00 0.00 O ATOM 120 CB HIS A 10 -7.518 1.411 7.228 1.00 0.00 C ATOM 121 CG HIS A 10 -8.774 2.180 7.516 1.00 0.00 C ATOM 122 ND1 HIS A 10 -8.868 3.142 8.495 1.00 0.00 N ATOM 123 CD2 HIS A 10 -10.005 2.096 6.962 1.00 0.00 C ATOM 124 CE1 HIS A 10 -10.116 3.601 8.509 1.00 0.00 C ATOM 125 NE2 HIS A 10 -10.854 2.998 7.592 1.00 0.00 N ATOM 0 H HIS A 10 -8.120 0.508 4.947 1.00 0.00 H new ATOM 0 HA HIS A 10 -6.798 2.880 5.863 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.761 0.349 7.194 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.826 1.553 8.058 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -10.284 1.432 6.157 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -10.479 4.365 9.180 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -11.840 3.161 7.389 1.00 0.00 H new ATOM 133 N TYR A 11 -4.453 2.104 5.893 1.00 0.00 N ATOM 134 CA TYR A 11 -3.094 1.673 5.885 1.00 0.00 C ATOM 135 C TYR A 11 -2.304 2.488 6.866 1.00 0.00 C ATOM 136 O TYR A 11 -2.525 3.687 6.985 1.00 0.00 O ATOM 137 CB TYR A 11 -2.476 1.786 4.467 1.00 0.00 C ATOM 138 CG TYR A 11 -2.237 3.212 3.952 1.00 0.00 C ATOM 139 CD1 TYR A 11 -3.210 3.899 3.243 1.00 0.00 C ATOM 140 CD2 TYR A 11 -1.015 3.857 4.174 1.00 0.00 C ATOM 141 CE1 TYR A 11 -2.970 5.183 2.775 1.00 0.00 C ATOM 142 CE2 TYR A 11 -0.774 5.122 3.712 1.00 0.00 C ATOM 143 CZ TYR A 11 -1.748 5.783 3.015 1.00 0.00 C ATOM 144 OH TYR A 11 -1.496 7.043 2.545 1.00 0.00 O ATOM 0 H TYR A 11 -4.584 3.115 5.864 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.062 0.623 6.176 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.524 1.255 4.463 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.131 1.272 3.764 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -4.164 3.430 3.053 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.242 3.342 4.725 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.735 5.712 2.225 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.179 5.596 3.896 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.590 7.314 2.804 1.00 0.00 H new ATOM 154 N LYS A 12 -1.431 1.872 7.605 1.00 0.00 N ATOM 155 CA LYS A 12 -0.572 2.652 8.434 1.00 0.00 C ATOM 156 C LYS A 12 0.832 2.402 7.994 1.00 0.00 C ATOM 157 O LYS A 12 1.156 1.314 7.537 1.00 0.00 O ATOM 158 CB LYS A 12 -0.744 2.372 9.935 1.00 0.00 C ATOM 159 CG LYS A 12 -0.221 1.037 10.423 1.00 0.00 C ATOM 160 CD LYS A 12 -0.371 0.936 11.921 1.00 0.00 C ATOM 161 CE LYS A 12 0.342 -0.279 12.477 1.00 0.00 C ATOM 162 NZ LYS A 12 0.225 -0.351 13.945 1.00 0.00 N ATOM 0 H LYS A 12 -1.298 0.862 7.650 1.00 0.00 H new ATOM 0 HA LYS A 12 -0.837 3.703 8.316 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.242 3.163 10.492 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.805 2.435 10.178 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.766 0.226 9.940 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.827 0.926 10.147 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.028 1.837 12.388 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.429 0.886 12.178 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.077 -1.182 12.033 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.395 -0.244 12.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.724 -1.195 14.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.647 0.500 14.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.779 -0.409 14.211 1.00 0.00 H new ATOM 176 N PHE A 13 1.645 3.388 8.082 1.00 0.00 N ATOM 177 CA PHE A 13 3.007 3.254 7.674 1.00 0.00 C ATOM 178 C PHE A 13 3.812 2.863 8.907 1.00 0.00 C ATOM 179 O PHE A 13 3.285 2.912 10.028 1.00 0.00 O ATOM 180 CB PHE A 13 3.497 4.600 7.110 1.00 0.00 C ATOM 181 CG PHE A 13 4.363 4.492 5.892 1.00 0.00 C ATOM 182 CD1 PHE A 13 5.642 3.970 5.960 1.00 0.00 C ATOM 183 CD2 PHE A 13 3.880 4.903 4.667 1.00 0.00 C ATOM 184 CE1 PHE A 13 6.415 3.849 4.829 1.00 0.00 C ATOM 185 CE2 PHE A 13 4.648 4.797 3.535 1.00 0.00 C ATOM 186 CZ PHE A 13 5.919 4.263 3.616 1.00 0.00 C ATOM 0 H PHE A 13 1.394 4.311 8.437 1.00 0.00 H new ATOM 0 HA PHE A 13 3.121 2.497 6.898 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.630 5.214 6.869 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.052 5.124 7.888 1.00 0.00 H new ATOM 0 HD1 PHE A 13 6.039 3.653 6.913 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.884 5.314 4.598 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.408 3.430 4.894 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.260 5.130 2.584 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.523 4.171 2.726 1.00 0.00 H new ATOM 196 N SER A 14 5.056 2.479 8.719 1.00 0.00 N ATOM 197 CA SER A 14 5.961 2.184 9.818 1.00 0.00 C ATOM 198 C SER A 14 6.222 3.451 10.667 1.00 0.00 C ATOM 199 O SER A 14 6.724 3.390 11.789 1.00 0.00 O ATOM 200 CB SER A 14 7.241 1.609 9.242 1.00 0.00 C ATOM 201 OG SER A 14 7.646 2.364 8.112 1.00 0.00 O ATOM 0 H SER A 14 5.474 2.361 7.796 1.00 0.00 H new ATOM 0 HA SER A 14 5.515 1.450 10.489 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.027 1.620 9.998 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.086 0.568 8.958 1.00 0.00 H new ATOM 0 HG SER A 14 8.474 1.988 7.747 1.00 0.00 H new ATOM 207 N SER A 15 5.899 4.582 10.094 1.00 0.00 N ATOM 208 CA SER A 15 5.903 5.846 10.755 1.00 0.00 C ATOM 209 C SER A 15 4.645 6.587 10.300 1.00 0.00 C ATOM 210 O SER A 15 4.548 6.987 9.138 1.00 0.00 O ATOM 211 CB SER A 15 7.167 6.618 10.382 1.00 0.00 C ATOM 212 OG SER A 15 8.320 5.838 10.678 1.00 0.00 O ATOM 0 H SER A 15 5.616 4.641 9.116 1.00 0.00 H new ATOM 0 HA SER A 15 5.901 5.734 11.839 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.150 6.869 9.321 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.204 7.559 10.931 1.00 0.00 H new ATOM 0 HG SER A 15 9.126 6.340 10.434 1.00 0.00 H new ATOM 218 N LYS A 16 3.674 6.708 11.195 1.00 0.00 N ATOM 219 CA LYS A 16 2.402 7.305 10.909 1.00 0.00 C ATOM 220 C LYS A 16 1.563 7.320 12.186 1.00 0.00 C ATOM 221 O LYS A 16 0.833 8.283 12.441 1.00 0.00 O ATOM 222 CB LYS A 16 1.643 6.515 9.829 1.00 0.00 C ATOM 223 CG LYS A 16 0.558 7.318 9.156 1.00 0.00 C ATOM 224 CD LYS A 16 1.168 8.422 8.318 1.00 0.00 C ATOM 225 CE LYS A 16 1.736 7.883 6.997 1.00 0.00 C ATOM 226 NZ LYS A 16 2.157 8.961 6.083 1.00 0.00 N ATOM 0 H LYS A 16 3.763 6.383 12.158 1.00 0.00 H new ATOM 0 HA LYS A 16 2.573 8.317 10.543 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.351 6.170 9.075 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.201 5.627 10.281 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.049 6.667 8.527 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.106 7.746 9.907 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.413 9.179 8.108 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.961 8.912 8.883 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.588 7.236 7.208 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.983 7.267 6.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.047 8.644 5.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.568 9.803 6.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.154 9.197 6.261 1.00 0.00 H new ATOM 240 N LEU A 17 1.668 6.222 12.958 1.00 0.00 N ATOM 241 CA LEU A 17 0.940 5.978 14.226 1.00 0.00 C ATOM 242 C LEU A 17 -0.503 5.584 13.962 1.00 0.00 C ATOM 243 O LEU A 17 -0.979 4.555 14.439 1.00 0.00 O ATOM 244 CB LEU A 17 1.000 7.171 15.198 1.00 0.00 C ATOM 245 CG LEU A 17 0.294 6.971 16.548 1.00 0.00 C ATOM 246 CD1 LEU A 17 0.990 5.905 17.386 1.00 0.00 C ATOM 247 CD2 LEU A 17 0.197 8.282 17.302 1.00 0.00 C ATOM 0 H LEU A 17 2.285 5.449 12.710 1.00 0.00 H new ATOM 0 HA LEU A 17 1.453 5.148 14.712 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.047 7.408 15.389 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.562 8.039 14.705 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.718 6.620 16.348 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.466 5.788 18.334 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.983 4.957 16.848 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.020 6.207 17.576 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.306 8.117 18.255 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.198 8.672 17.483 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.371 9.000 16.711 1.00 0.00 H new ATOM 259 N ASN A 18 -1.170 6.383 13.196 1.00 0.00 N ATOM 260 CA ASN A 18 -2.560 6.166 12.868 1.00 0.00 C ATOM 261 C ASN A 18 -2.654 5.590 11.482 1.00 0.00 C ATOM 262 O ASN A 18 -1.644 5.501 10.769 1.00 0.00 O ATOM 263 CB ASN A 18 -3.344 7.484 12.912 1.00 0.00 C ATOM 264 CG ASN A 18 -3.382 8.136 14.284 1.00 0.00 C ATOM 265 OD1 ASN A 18 -3.361 7.460 15.319 1.00 0.00 O ATOM 266 ND2 ASN A 18 -3.454 9.445 14.306 1.00 0.00 N ATOM 0 H ASN A 18 -0.769 7.219 12.770 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.987 5.479 13.599 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.901 8.182 12.202 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.366 7.298 12.581 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.495 9.939 15.198 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.469 9.970 13.431 1.00 0.00 H new ATOM 273 N TYR A 19 -3.837 5.197 11.090 1.00 0.00 N ATOM 274 CA TYR A 19 -4.040 4.697 9.763 1.00 0.00 C ATOM 275 C TYR A 19 -4.513 5.801 8.877 1.00 0.00 C ATOM 276 O TYR A 19 -5.275 6.690 9.303 1.00 0.00 O ATOM 277 CB TYR A 19 -5.058 3.564 9.704 1.00 0.00 C ATOM 278 CG TYR A 19 -4.619 2.247 10.309 1.00 0.00 C ATOM 279 CD1 TYR A 19 -4.613 2.042 11.685 1.00 0.00 C ATOM 280 CD2 TYR A 19 -4.229 1.197 9.492 1.00 0.00 C ATOM 281 CE1 TYR A 19 -4.226 0.829 12.220 1.00 0.00 C ATOM 282 CE2 TYR A 19 -3.841 -0.013 10.018 1.00 0.00 C ATOM 283 CZ TYR A 19 -3.843 -0.193 11.379 1.00 0.00 C ATOM 284 OH TYR A 19 -3.449 -1.397 11.904 1.00 0.00 O ATOM 0 H TYR A 19 -4.673 5.215 11.674 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.080 4.304 9.428 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.965 3.890 10.212 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.321 3.392 8.660 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.915 2.843 12.344 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.230 1.332 8.420 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.224 0.683 13.290 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.537 -0.817 9.364 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.915 -1.553 12.752 1.00 0.00 H new ATOM 294 N ASP A 20 -4.068 5.769 7.682 1.00 0.00 N ATOM 295 CA ASP A 20 -4.499 6.687 6.688 1.00 0.00 C ATOM 296 C ASP A 20 -5.438 5.903 5.800 1.00 0.00 C ATOM 297 O ASP A 20 -5.607 4.692 6.010 1.00 0.00 O ATOM 298 CB ASP A 20 -3.310 7.223 5.901 1.00 0.00 C ATOM 299 CG ASP A 20 -3.622 8.521 5.159 1.00 0.00 C ATOM 300 OD1 ASP A 20 -4.363 8.507 4.154 1.00 0.00 O ATOM 301 OD2 ASP A 20 -3.122 9.584 5.562 1.00 0.00 O ATOM 0 H ASP A 20 -3.379 5.092 7.354 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.994 7.557 7.120 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.476 7.392 6.583 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.987 6.469 5.183 1.00 0.00 H new ATOM 306 N THR A 21 -6.007 6.517 4.838 1.00 0.00 N ATOM 307 CA THR A 21 -6.995 5.897 4.049 1.00 0.00 C ATOM 308 C THR A 21 -6.836 6.323 2.630 1.00 0.00 C ATOM 309 O THR A 21 -6.963 7.507 2.311 1.00 0.00 O ATOM 310 CB THR A 21 -8.403 6.244 4.565 1.00 0.00 C ATOM 311 OG1 THR A 21 -8.313 7.282 5.576 1.00 0.00 O ATOM 312 CG2 THR A 21 -9.065 5.021 5.152 1.00 0.00 C ATOM 0 H THR A 21 -5.797 7.479 4.572 1.00 0.00 H new ATOM 0 HA THR A 21 -6.874 4.816 4.114 1.00 0.00 H new ATOM 0 HB THR A 21 -9.003 6.602 3.728 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.211 7.501 5.901 1.00 0.00 H new ATOM 0 HG21 THR A 21 -10.060 5.283 5.512 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.148 4.249 4.387 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.466 4.646 5.982 1.00 0.00 H new ATOM 320 N VAL A 22 -6.537 5.388 1.785 1.00 0.00 N ATOM 321 CA VAL A 22 -6.350 5.696 0.408 1.00 0.00 C ATOM 322 C VAL A 22 -7.649 5.454 -0.349 1.00 0.00 C ATOM 323 O VAL A 22 -8.192 4.344 -0.342 1.00 0.00 O ATOM 324 CB VAL A 22 -5.149 4.907 -0.218 1.00 0.00 C ATOM 325 CG1 VAL A 22 -5.346 3.389 -0.227 1.00 0.00 C ATOM 326 CG2 VAL A 22 -4.805 5.443 -1.589 1.00 0.00 C ATOM 0 H VAL A 22 -6.418 4.404 2.027 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.088 6.751 0.323 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.296 5.078 0.438 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.474 2.912 -0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.470 3.032 0.795 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.234 3.141 -0.808 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.969 4.878 -2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.669 5.343 -2.246 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.529 6.494 -1.510 1.00 0.00 H new ATOM 336 N THR A 23 -8.195 6.506 -0.906 1.00 0.00 N ATOM 337 CA THR A 23 -9.404 6.397 -1.656 1.00 0.00 C ATOM 338 C THR A 23 -9.145 6.108 -3.121 1.00 0.00 C ATOM 339 O THR A 23 -8.434 6.858 -3.819 1.00 0.00 O ATOM 340 CB THR A 23 -10.336 7.609 -1.465 1.00 0.00 C ATOM 341 OG1 THR A 23 -9.587 8.836 -1.499 1.00 0.00 O ATOM 342 CG2 THR A 23 -11.110 7.501 -0.163 1.00 0.00 C ATOM 0 H THR A 23 -7.812 7.450 -0.849 1.00 0.00 H new ATOM 0 HA THR A 23 -9.934 5.535 -1.250 1.00 0.00 H new ATOM 0 HB THR A 23 -11.050 7.614 -2.288 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.196 9.594 -1.378 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.760 8.369 -0.053 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.714 6.594 -0.173 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.412 7.462 0.673 1.00 0.00 H new ATOM 350 N PHE A 24 -9.734 5.049 -3.575 1.00 0.00 N ATOM 351 CA PHE A 24 -9.571 4.546 -4.909 1.00 0.00 C ATOM 352 C PHE A 24 -10.938 4.241 -5.450 1.00 0.00 C ATOM 353 O PHE A 24 -11.930 4.434 -4.742 1.00 0.00 O ATOM 354 CB PHE A 24 -8.683 3.272 -4.903 1.00 0.00 C ATOM 355 CG PHE A 24 -9.231 2.105 -4.092 1.00 0.00 C ATOM 356 CD1 PHE A 24 -9.117 2.079 -2.713 1.00 0.00 C ATOM 357 CD2 PHE A 24 -9.850 1.031 -4.715 1.00 0.00 C ATOM 358 CE1 PHE A 24 -9.605 1.022 -1.984 1.00 0.00 C ATOM 359 CE2 PHE A 24 -10.336 -0.021 -3.982 1.00 0.00 C ATOM 360 CZ PHE A 24 -10.211 -0.028 -2.618 1.00 0.00 C ATOM 0 H PHE A 24 -10.367 4.486 -3.008 1.00 0.00 H new ATOM 0 HA PHE A 24 -9.075 5.285 -5.538 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.540 2.943 -5.932 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.700 3.535 -4.513 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.638 2.901 -2.203 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -9.950 1.023 -5.790 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -9.510 1.020 -0.908 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -10.819 -0.847 -4.482 1.00 0.00 H new ATOM 0 HZ PHE A 24 -10.590 -0.861 -2.044 1.00 0.00 H new ATOM 370 N ASP A 25 -11.017 3.824 -6.675 1.00 0.00 N ATOM 371 CA ASP A 25 -12.287 3.417 -7.215 1.00 0.00 C ATOM 372 C ASP A 25 -12.249 1.933 -7.502 1.00 0.00 C ATOM 373 O ASP A 25 -11.235 1.414 -7.996 1.00 0.00 O ATOM 374 CB ASP A 25 -12.672 4.223 -8.451 1.00 0.00 C ATOM 375 CG ASP A 25 -14.031 3.846 -8.981 1.00 0.00 C ATOM 376 OD1 ASP A 25 -15.034 3.971 -8.235 1.00 0.00 O ATOM 377 OD2 ASP A 25 -14.135 3.450 -10.164 1.00 0.00 O ATOM 0 H ASP A 25 -10.229 3.755 -7.319 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.062 3.618 -6.476 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.662 5.285 -8.207 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.925 4.068 -9.230 1.00 0.00 H new ATOM 382 N GLY A 26 -13.299 1.256 -7.140 1.00 0.00 N ATOM 383 CA GLY A 26 -13.368 -0.166 -7.287 1.00 0.00 C ATOM 384 C GLY A 26 -13.492 -0.795 -5.934 1.00 0.00 C ATOM 385 O GLY A 26 -13.424 -0.096 -4.929 1.00 0.00 O ATOM 0 H GLY A 26 -14.134 1.677 -6.733 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.222 -0.438 -7.908 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.476 -0.535 -7.793 1.00 0.00 H new ATOM 389 N LEU A 27 -13.677 -2.075 -5.878 1.00 0.00 N ATOM 390 CA LEU A 27 -13.798 -2.744 -4.603 1.00 0.00 C ATOM 391 C LEU A 27 -12.377 -2.988 -4.074 1.00 0.00 C ATOM 392 O LEU A 27 -12.095 -2.888 -2.864 1.00 0.00 O ATOM 393 CB LEU A 27 -14.560 -4.080 -4.779 1.00 0.00 C ATOM 394 CG LEU A 27 -15.356 -4.618 -3.563 1.00 0.00 C ATOM 395 CD1 LEU A 27 -15.994 -5.951 -3.884 1.00 0.00 C ATOM 396 CD2 LEU A 27 -14.510 -4.732 -2.313 1.00 0.00 C ATOM 0 H LEU A 27 -13.749 -2.685 -6.692 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.360 -2.136 -3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.255 -3.963 -5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.838 -4.842 -5.072 1.00 0.00 H new ATOM 0 HG LEU A 27 -16.137 -3.886 -3.358 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -16.547 -6.308 -3.015 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.676 -5.834 -4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.219 -6.672 -4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.120 -5.114 -1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.680 -5.415 -2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.120 -3.750 -2.047 1.00 0.00 H new ATOM 408 N HIS A 28 -11.484 -3.267 -4.983 1.00 0.00 N ATOM 409 CA HIS A 28 -10.111 -3.525 -4.638 1.00 0.00 C ATOM 410 C HIS A 28 -9.138 -2.827 -5.524 1.00 0.00 C ATOM 411 O HIS A 28 -9.470 -2.396 -6.639 1.00 0.00 O ATOM 412 CB HIS A 28 -9.773 -5.021 -4.479 1.00 0.00 C ATOM 413 CG HIS A 28 -10.475 -5.971 -5.389 1.00 0.00 C ATOM 414 ND1 HIS A 28 -11.096 -7.101 -4.925 1.00 0.00 N ATOM 415 CD2 HIS A 28 -10.634 -5.973 -6.734 1.00 0.00 C ATOM 416 CE1 HIS A 28 -11.614 -7.749 -5.970 1.00 0.00 C ATOM 417 NE2 HIS A 28 -11.362 -7.102 -7.100 1.00 0.00 N ATOM 0 H HIS A 28 -11.685 -3.322 -5.981 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.000 -3.088 -3.646 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -8.700 -5.144 -4.623 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.992 -5.311 -3.451 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -10.257 -5.221 -7.412 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -12.165 -8.676 -5.904 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.643 -7.375 -8.042 1.00 0.00 H new ATOM 425 N ILE A 29 -7.954 -2.685 -5.013 1.00 0.00 N ATOM 426 CA ILE A 29 -6.897 -2.028 -5.689 1.00 0.00 C ATOM 427 C ILE A 29 -5.663 -2.908 -5.731 1.00 0.00 C ATOM 428 O ILE A 29 -5.233 -3.442 -4.714 1.00 0.00 O ATOM 429 CB ILE A 29 -6.591 -0.633 -5.043 1.00 0.00 C ATOM 430 CG1 ILE A 29 -5.372 0.015 -5.674 1.00 0.00 C ATOM 431 CG2 ILE A 29 -6.423 -0.724 -3.526 1.00 0.00 C ATOM 432 CD1 ILE A 29 -5.158 1.453 -5.251 1.00 0.00 C ATOM 0 H ILE A 29 -7.697 -3.035 -4.090 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.210 -1.844 -6.717 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.457 -0.002 -5.241 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.487 -0.566 -5.414 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.472 -0.024 -6.759 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.212 0.267 -3.123 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.340 -1.109 -3.081 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.596 -1.394 -3.291 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.269 1.848 -5.742 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.025 2.049 -5.536 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.026 1.498 -4.170 1.00 0.00 H new ATOM 444 N SER A 30 -5.157 -3.114 -6.914 1.00 0.00 N ATOM 445 CA SER A 30 -3.944 -3.854 -7.121 1.00 0.00 C ATOM 446 C SER A 30 -2.790 -3.179 -6.385 1.00 0.00 C ATOM 447 O SER A 30 -2.704 -1.950 -6.343 1.00 0.00 O ATOM 448 CB SER A 30 -3.653 -3.925 -8.606 1.00 0.00 C ATOM 449 OG SER A 30 -4.766 -4.463 -9.301 1.00 0.00 O ATOM 0 H SER A 30 -5.582 -2.768 -7.774 1.00 0.00 H new ATOM 0 HA SER A 30 -4.059 -4.864 -6.728 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.425 -2.929 -8.987 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.773 -4.543 -8.782 1.00 0.00 H new ATOM 0 HG SER A 30 -4.566 -4.502 -10.259 1.00 0.00 H new ATOM 455 N LEU A 31 -1.931 -3.983 -5.816 1.00 0.00 N ATOM 456 CA LEU A 31 -0.810 -3.537 -5.030 1.00 0.00 C ATOM 457 C LEU A 31 0.073 -2.572 -5.795 1.00 0.00 C ATOM 458 O LEU A 31 0.535 -1.592 -5.232 1.00 0.00 O ATOM 459 CB LEU A 31 0.003 -4.732 -4.532 1.00 0.00 C ATOM 460 CG LEU A 31 1.200 -4.393 -3.666 1.00 0.00 C ATOM 461 CD1 LEU A 31 0.758 -3.655 -2.434 1.00 0.00 C ATOM 462 CD2 LEU A 31 1.956 -5.632 -3.280 1.00 0.00 C ATOM 0 H LEU A 31 -1.994 -4.998 -5.889 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.208 -2.998 -4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.658 -5.388 -3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.351 -5.298 -5.396 1.00 0.00 H new ATOM 0 HG LEU A 31 1.866 -3.754 -4.246 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.627 -3.417 -1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.255 -2.732 -2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.071 -4.279 -1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.809 -5.359 -2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.300 -6.299 -2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.308 -6.138 -4.179 1.00 0.00 H new ATOM 474 N CYS A 32 0.306 -2.850 -7.072 1.00 0.00 N ATOM 475 CA CYS A 32 1.097 -1.967 -7.908 1.00 0.00 C ATOM 476 C CYS A 32 0.490 -0.573 -7.895 1.00 0.00 C ATOM 477 O CYS A 32 1.166 0.393 -7.613 1.00 0.00 O ATOM 478 CB CYS A 32 1.112 -2.469 -9.356 1.00 0.00 C ATOM 479 SG CYS A 32 2.414 -1.745 -10.382 1.00 0.00 S ATOM 0 H CYS A 32 -0.044 -3.682 -7.548 1.00 0.00 H new ATOM 0 HA CYS A 32 2.114 -1.946 -7.516 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.230 -3.553 -9.351 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.145 -2.256 -9.812 1.00 0.00 H new ATOM 0 HG CYS A 32 2.342 -2.235 -11.584 1.00 0.00 H new ATOM 485 N ASP A 33 -0.811 -0.508 -8.069 1.00 0.00 N ATOM 486 CA ASP A 33 -1.507 0.764 -8.136 1.00 0.00 C ATOM 487 C ASP A 33 -1.452 1.420 -6.770 1.00 0.00 C ATOM 488 O ASP A 33 -1.085 2.576 -6.648 1.00 0.00 O ATOM 489 CB ASP A 33 -2.962 0.546 -8.571 1.00 0.00 C ATOM 490 CG ASP A 33 -3.696 1.831 -8.925 1.00 0.00 C ATOM 491 OD1 ASP A 33 -4.123 2.553 -8.035 1.00 0.00 O ATOM 492 OD2 ASP A 33 -3.910 2.094 -10.131 1.00 0.00 O ATOM 0 H ASP A 33 -1.414 -1.325 -8.168 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.028 1.412 -8.870 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.978 -0.120 -9.434 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.500 0.041 -7.769 1.00 0.00 H new ATOM 497 N LEU A 34 -1.695 0.613 -5.740 1.00 0.00 N ATOM 498 CA LEU A 34 -1.727 1.079 -4.349 1.00 0.00 C ATOM 499 C LEU A 34 -0.384 1.663 -3.913 1.00 0.00 C ATOM 500 O LEU A 34 -0.327 2.761 -3.345 1.00 0.00 O ATOM 501 CB LEU A 34 -2.204 -0.079 -3.411 1.00 0.00 C ATOM 502 CG LEU A 34 -2.270 0.184 -1.882 1.00 0.00 C ATOM 503 CD1 LEU A 34 -3.246 -0.781 -1.237 1.00 0.00 C ATOM 504 CD2 LEU A 34 -0.904 -0.019 -1.233 1.00 0.00 C ATOM 0 H LEU A 34 -1.876 -0.385 -5.843 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.446 1.894 -4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.199 -0.382 -3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.542 -0.930 -3.572 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.593 1.215 -1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.289 -0.593 -0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.236 -0.640 -1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.915 -1.805 -1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.978 0.171 -0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.572 -1.044 -1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.185 0.671 -1.675 1.00 0.00 H new ATOM 516 N LYS A 35 0.690 0.962 -4.213 1.00 0.00 N ATOM 517 CA LYS A 35 2.011 1.419 -3.837 1.00 0.00 C ATOM 518 C LYS A 35 2.376 2.667 -4.594 1.00 0.00 C ATOM 519 O LYS A 35 2.928 3.605 -4.027 1.00 0.00 O ATOM 520 CB LYS A 35 3.062 0.336 -4.042 1.00 0.00 C ATOM 521 CG LYS A 35 2.805 -0.909 -3.216 1.00 0.00 C ATOM 522 CD LYS A 35 3.949 -1.914 -3.261 1.00 0.00 C ATOM 523 CE LYS A 35 4.402 -2.285 -4.649 1.00 0.00 C ATOM 524 NZ LYS A 35 5.558 -3.234 -4.622 1.00 0.00 N ATOM 0 H LYS A 35 0.674 0.075 -4.716 1.00 0.00 H new ATOM 0 HA LYS A 35 1.987 1.653 -2.773 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.093 0.064 -5.097 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.043 0.737 -3.787 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.628 -0.618 -2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.894 -1.391 -3.572 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.798 -1.504 -2.713 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.640 -2.820 -2.739 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.573 -2.738 -5.193 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.685 -1.383 -5.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.566 -3.796 -5.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.446 -2.698 -4.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.467 -3.869 -3.803 1.00 0.00 H new ATOM 538 N LYS A 36 2.028 2.695 -5.863 1.00 0.00 N ATOM 539 CA LYS A 36 2.288 3.848 -6.701 1.00 0.00 C ATOM 540 C LYS A 36 1.487 5.072 -6.223 1.00 0.00 C ATOM 541 O LYS A 36 1.973 6.208 -6.325 1.00 0.00 O ATOM 542 CB LYS A 36 2.013 3.540 -8.182 1.00 0.00 C ATOM 543 CG LYS A 36 3.159 2.839 -8.981 1.00 0.00 C ATOM 544 CD LYS A 36 3.703 1.557 -8.327 1.00 0.00 C ATOM 545 CE LYS A 36 4.577 0.755 -9.289 1.00 0.00 C ATOM 546 NZ LYS A 36 5.171 -0.467 -8.661 1.00 0.00 N ATOM 0 H LYS A 36 1.560 1.925 -6.341 1.00 0.00 H new ATOM 0 HA LYS A 36 3.347 4.090 -6.611 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.125 2.910 -8.239 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.772 4.477 -8.685 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.793 2.595 -9.978 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.981 3.544 -9.107 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.283 1.819 -7.442 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.870 0.939 -7.991 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.981 0.460 -10.152 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.380 1.393 -9.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.820 -0.923 -9.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.695 -0.197 -7.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.412 -1.131 -8.408 1.00 0.00 H new ATOM 560 N GLN A 37 0.270 4.842 -5.700 1.00 0.00 N ATOM 561 CA GLN A 37 -0.547 5.921 -5.121 1.00 0.00 C ATOM 562 C GLN A 37 0.180 6.525 -3.932 1.00 0.00 C ATOM 563 O GLN A 37 0.357 7.740 -3.839 1.00 0.00 O ATOM 564 CB GLN A 37 -1.922 5.415 -4.607 1.00 0.00 C ATOM 565 CG GLN A 37 -2.858 4.814 -5.641 1.00 0.00 C ATOM 566 CD GLN A 37 -3.229 5.764 -6.754 1.00 0.00 C ATOM 567 OE1 GLN A 37 -3.271 6.987 -6.578 1.00 0.00 O ATOM 568 NE2 GLN A 37 -3.559 5.221 -7.882 1.00 0.00 N ATOM 0 H GLN A 37 -0.168 3.921 -5.667 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.710 6.650 -5.915 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.742 4.667 -3.835 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.434 6.250 -4.129 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.388 3.930 -6.072 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.768 4.480 -5.143 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.513 4.208 -7.993 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.865 5.806 -8.659 1.00 0.00 H new ATOM 577 N ILE A 38 0.626 5.654 -3.047 1.00 0.00 N ATOM 578 CA ILE A 38 1.266 6.053 -1.797 1.00 0.00 C ATOM 579 C ILE A 38 2.618 6.716 -2.044 1.00 0.00 C ATOM 580 O ILE A 38 2.893 7.806 -1.518 1.00 0.00 O ATOM 581 CB ILE A 38 1.426 4.846 -0.831 1.00 0.00 C ATOM 582 CG1 ILE A 38 0.045 4.258 -0.497 1.00 0.00 C ATOM 583 CG2 ILE A 38 2.162 5.257 0.451 1.00 0.00 C ATOM 584 CD1 ILE A 38 0.086 3.044 0.403 1.00 0.00 C ATOM 0 H ILE A 38 0.557 4.644 -3.171 1.00 0.00 H new ATOM 0 HA ILE A 38 0.611 6.785 -1.325 1.00 0.00 H new ATOM 0 HB ILE A 38 2.026 4.084 -1.328 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.559 5.029 -0.020 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.457 3.990 -1.427 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.259 4.393 1.108 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.153 5.633 0.197 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.597 6.038 0.960 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.929 2.694 0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.661 2.253 -0.079 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.557 3.309 1.350 1.00 0.00 H new ATOM 596 N MET A 39 3.438 6.090 -2.875 1.00 0.00 N ATOM 597 CA MET A 39 4.773 6.611 -3.171 1.00 0.00 C ATOM 598 C MET A 39 4.686 7.957 -3.858 1.00 0.00 C ATOM 599 O MET A 39 5.462 8.859 -3.567 1.00 0.00 O ATOM 600 CB MET A 39 5.615 5.633 -4.009 1.00 0.00 C ATOM 601 CG MET A 39 5.909 4.309 -3.320 1.00 0.00 C ATOM 602 SD MET A 39 7.000 3.230 -4.269 1.00 0.00 S ATOM 603 CE MET A 39 6.058 3.029 -5.775 1.00 0.00 C ATOM 0 H MET A 39 3.207 5.222 -3.358 1.00 0.00 H new ATOM 0 HA MET A 39 5.281 6.734 -2.214 1.00 0.00 H new ATOM 0 HB2 MET A 39 5.094 5.434 -4.945 1.00 0.00 H new ATOM 0 HB3 MET A 39 6.559 6.113 -4.266 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.362 4.507 -2.349 1.00 0.00 H new ATOM 0 HG3 MET A 39 4.969 3.789 -3.134 1.00 0.00 H new ATOM 0 HE1 MET A 39 6.437 2.170 -6.329 1.00 0.00 H new ATOM 0 HE2 MET A 39 5.008 2.868 -5.529 1.00 0.00 H new ATOM 0 HE3 MET A 39 6.154 3.926 -6.387 1.00 0.00 H new ATOM 613 N GLY A 40 3.697 8.101 -4.716 1.00 0.00 N ATOM 614 CA GLY A 40 3.493 9.344 -5.423 1.00 0.00 C ATOM 615 C GLY A 40 2.944 10.425 -4.526 1.00 0.00 C ATOM 616 O GLY A 40 3.218 11.606 -4.728 1.00 0.00 O ATOM 0 H GLY A 40 3.022 7.370 -4.939 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.439 9.676 -5.852 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.806 9.179 -6.253 1.00 0.00 H new ATOM 620 N ARG A 41 2.165 10.020 -3.548 1.00 0.00 N ATOM 621 CA ARG A 41 1.568 10.934 -2.595 1.00 0.00 C ATOM 622 C ARG A 41 2.605 11.484 -1.621 1.00 0.00 C ATOM 623 O ARG A 41 2.698 12.695 -1.422 1.00 0.00 O ATOM 624 CB ARG A 41 0.430 10.238 -1.834 1.00 0.00 C ATOM 625 CG ARG A 41 -0.208 11.076 -0.733 1.00 0.00 C ATOM 626 CD ARG A 41 -1.353 10.330 -0.069 1.00 0.00 C ATOM 627 NE ARG A 41 -1.829 11.018 1.139 1.00 0.00 N ATOM 628 CZ ARG A 41 -2.555 10.441 2.108 1.00 0.00 C ATOM 629 NH1 ARG A 41 -3.178 9.295 1.888 1.00 0.00 N ATOM 630 NH2 ARG A 41 -2.719 11.058 3.272 1.00 0.00 N ATOM 0 H ARG A 41 1.925 9.041 -3.389 1.00 0.00 H new ATOM 0 HA ARG A 41 1.159 11.778 -3.151 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.343 9.951 -2.547 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.815 9.318 -1.394 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.543 11.333 0.014 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.575 12.013 -1.152 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.176 10.226 -0.776 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.027 9.323 0.191 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.591 12.004 1.248 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.108 8.843 0.976 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.728 8.863 2.630 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.293 11.971 3.430 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.271 10.619 4.009 1.00 0.00 H new ATOM 644 N GLU A 42 3.396 10.614 -1.029 1.00 0.00 N ATOM 645 CA GLU A 42 4.345 11.069 -0.016 1.00 0.00 C ATOM 646 C GLU A 42 5.718 11.378 -0.565 1.00 0.00 C ATOM 647 O GLU A 42 6.600 11.796 0.179 1.00 0.00 O ATOM 648 CB GLU A 42 4.478 10.121 1.136 1.00 0.00 C ATOM 649 CG GLU A 42 3.249 9.973 2.010 1.00 0.00 C ATOM 650 CD GLU A 42 3.549 9.194 3.270 1.00 0.00 C ATOM 651 OE1 GLU A 42 4.491 9.580 4.007 1.00 0.00 O ATOM 652 OE2 GLU A 42 2.823 8.250 3.604 1.00 0.00 O ATOM 0 H GLU A 42 3.408 9.612 -1.219 1.00 0.00 H new ATOM 0 HA GLU A 42 3.907 11.999 0.346 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.744 9.139 0.746 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.308 10.451 1.761 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.869 10.960 2.274 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.462 9.469 1.449 1.00 0.00 H new ATOM 659 N LYS A 43 5.883 11.166 -1.849 1.00 0.00 N ATOM 660 CA LYS A 43 7.110 11.486 -2.593 1.00 0.00 C ATOM 661 C LYS A 43 8.240 10.527 -2.233 1.00 0.00 C ATOM 662 O LYS A 43 9.399 10.932 -2.061 1.00 0.00 O ATOM 663 CB LYS A 43 7.558 12.973 -2.413 1.00 0.00 C ATOM 664 CG LYS A 43 6.446 14.011 -2.502 1.00 0.00 C ATOM 665 CD LYS A 43 5.445 13.651 -3.562 1.00 0.00 C ATOM 666 CE LYS A 43 4.355 14.678 -3.661 1.00 0.00 C ATOM 667 NZ LYS A 43 4.844 15.980 -4.156 1.00 0.00 N ATOM 0 H LYS A 43 5.156 10.755 -2.435 1.00 0.00 H new ATOM 0 HA LYS A 43 6.872 11.357 -3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.046 13.072 -1.443 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.306 13.203 -3.171 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.944 14.092 -1.538 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.875 14.989 -2.722 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.949 13.560 -4.524 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.010 12.677 -3.337 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.574 14.310 -4.327 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.899 14.814 -2.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.034 16.592 -4.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.426 16.433 -3.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.417 15.833 -5.012 1.00 0.00 H new ATOM 681 N LEU A 44 7.908 9.254 -2.185 1.00 0.00 N ATOM 682 CA LEU A 44 8.880 8.222 -1.882 1.00 0.00 C ATOM 683 C LEU A 44 9.813 7.996 -3.054 1.00 0.00 C ATOM 684 O LEU A 44 9.520 8.388 -4.193 1.00 0.00 O ATOM 685 CB LEU A 44 8.229 6.879 -1.498 1.00 0.00 C ATOM 686 CG LEU A 44 7.728 6.713 -0.058 1.00 0.00 C ATOM 687 CD1 LEU A 44 6.578 7.630 0.258 1.00 0.00 C ATOM 688 CD2 LEU A 44 7.349 5.274 0.207 1.00 0.00 C ATOM 0 H LEU A 44 6.964 8.906 -2.353 1.00 0.00 H new ATOM 0 HA LEU A 44 9.440 8.585 -1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.385 6.712 -2.167 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.953 6.088 -1.694 1.00 0.00 H new ATOM 0 HG LEU A 44 8.549 6.992 0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.260 7.473 1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.892 8.666 0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.747 7.416 -0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.996 5.174 1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.558 4.974 -0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.220 4.635 0.059 1.00 0.00 H new ATOM 700 N LYS A 45 10.914 7.359 -2.781 1.00 0.00 N ATOM 701 CA LYS A 45 11.878 7.045 -3.788 1.00 0.00 C ATOM 702 C LYS A 45 11.607 5.655 -4.360 1.00 0.00 C ATOM 703 O LYS A 45 11.993 4.630 -3.784 1.00 0.00 O ATOM 704 CB LYS A 45 13.288 7.179 -3.215 1.00 0.00 C ATOM 705 CG LYS A 45 13.483 6.513 -1.861 1.00 0.00 C ATOM 706 CD LYS A 45 14.864 6.753 -1.248 1.00 0.00 C ATOM 707 CE LYS A 45 15.157 8.228 -0.915 1.00 0.00 C ATOM 708 NZ LYS A 45 15.622 9.027 -2.080 1.00 0.00 N ATOM 0 H LYS A 45 11.168 7.042 -1.845 1.00 0.00 H new ATOM 0 HA LYS A 45 11.795 7.751 -4.614 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.997 6.749 -3.923 1.00 0.00 H new ATOM 0 HB3 LYS A 45 13.531 8.238 -3.124 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.722 6.880 -1.173 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.325 5.440 -1.968 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.953 6.161 -0.337 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.625 6.390 -1.939 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.254 8.685 -0.510 1.00 0.00 H new ATOM 0 HE3 LYS A 45 15.914 8.270 -0.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.476 9.559 -1.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.841 8.390 -2.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.875 9.692 -2.366 1.00 0.00 H new ATOM 722 N ALA A 46 10.978 5.638 -5.512 1.00 0.00 N ATOM 723 CA ALA A 46 10.505 4.408 -6.134 1.00 0.00 C ATOM 724 C ALA A 46 11.606 3.650 -6.857 1.00 0.00 C ATOM 725 O ALA A 46 11.443 2.475 -7.198 1.00 0.00 O ATOM 726 CB ALA A 46 9.361 4.715 -7.090 1.00 0.00 C ATOM 0 H ALA A 46 10.775 6.479 -6.053 1.00 0.00 H new ATOM 0 HA ALA A 46 10.152 3.760 -5.332 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.014 3.790 -7.551 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.541 5.177 -6.540 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.708 5.398 -7.865 1.00 0.00 H new ATOM 732 N ALA A 47 12.721 4.301 -7.093 1.00 0.00 N ATOM 733 CA ALA A 47 13.808 3.648 -7.813 1.00 0.00 C ATOM 734 C ALA A 47 14.912 3.231 -6.862 1.00 0.00 C ATOM 735 O ALA A 47 15.888 2.581 -7.253 1.00 0.00 O ATOM 736 CB ALA A 47 14.347 4.546 -8.912 1.00 0.00 C ATOM 0 H ALA A 47 12.905 5.263 -6.807 1.00 0.00 H new ATOM 0 HA ALA A 47 13.410 2.748 -8.281 1.00 0.00 H new ATOM 0 HB1 ALA A 47 15.157 4.036 -9.434 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.549 4.777 -9.618 1.00 0.00 H new ATOM 0 HB3 ALA A 47 14.723 5.471 -8.475 1.00 0.00 H new ATOM 742 N ASP A 48 14.751 3.596 -5.618 1.00 0.00 N ATOM 743 CA ASP A 48 15.730 3.281 -4.601 1.00 0.00 C ATOM 744 C ASP A 48 15.222 2.133 -3.772 1.00 0.00 C ATOM 745 O ASP A 48 15.946 1.188 -3.474 1.00 0.00 O ATOM 746 CB ASP A 48 15.967 4.506 -3.718 1.00 0.00 C ATOM 747 CG ASP A 48 17.021 4.311 -2.636 1.00 0.00 C ATOM 748 OD1 ASP A 48 18.201 4.619 -2.882 1.00 0.00 O ATOM 749 OD2 ASP A 48 16.678 3.930 -1.500 1.00 0.00 O ATOM 0 H ASP A 48 13.943 4.118 -5.278 1.00 0.00 H new ATOM 0 HA ASP A 48 16.674 3.000 -5.068 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.265 5.342 -4.351 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.026 4.784 -3.244 1.00 0.00 H new ATOM 754 N CYS A 49 13.961 2.188 -3.445 1.00 0.00 N ATOM 755 CA CYS A 49 13.367 1.184 -2.630 1.00 0.00 C ATOM 756 C CYS A 49 12.042 0.733 -3.215 1.00 0.00 C ATOM 757 O CYS A 49 11.487 1.375 -4.113 1.00 0.00 O ATOM 758 CB CYS A 49 13.157 1.718 -1.214 1.00 0.00 C ATOM 759 SG CYS A 49 14.669 2.163 -0.331 1.00 0.00 S ATOM 0 H CYS A 49 13.325 2.929 -3.738 1.00 0.00 H new ATOM 0 HA CYS A 49 14.039 0.326 -2.594 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.513 2.596 -1.265 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.624 0.965 -0.634 1.00 0.00 H new ATOM 0 HG CYS A 49 15.445 2.849 -1.117 1.00 0.00 H new ATOM 765 N ASP A 50 11.559 -0.363 -2.711 1.00 0.00 N ATOM 766 CA ASP A 50 10.289 -0.912 -3.090 1.00 0.00 C ATOM 767 C ASP A 50 9.388 -0.682 -1.921 1.00 0.00 C ATOM 768 O ASP A 50 9.860 -0.434 -0.792 1.00 0.00 O ATOM 769 CB ASP A 50 10.393 -2.433 -3.352 1.00 0.00 C ATOM 770 CG ASP A 50 9.108 -3.084 -3.932 1.00 0.00 C ATOM 771 OD1 ASP A 50 8.140 -2.351 -4.323 1.00 0.00 O ATOM 772 OD2 ASP A 50 9.051 -4.343 -4.012 1.00 0.00 O ATOM 0 H ASP A 50 12.049 -0.915 -2.007 1.00 0.00 H new ATOM 0 HA ASP A 50 9.925 -0.446 -4.005 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.217 -2.613 -4.042 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.646 -2.932 -2.416 1.00 0.00 H new ATOM 777 N LEU A 51 8.158 -0.761 -2.138 1.00 0.00 N ATOM 778 CA LEU A 51 7.247 -0.571 -1.108 1.00 0.00 C ATOM 779 C LEU A 51 6.668 -1.927 -0.776 1.00 0.00 C ATOM 780 O LEU A 51 6.234 -2.651 -1.651 1.00 0.00 O ATOM 781 CB LEU A 51 6.194 0.473 -1.519 1.00 0.00 C ATOM 782 CG LEU A 51 5.224 0.917 -0.443 1.00 0.00 C ATOM 783 CD1 LEU A 51 6.002 1.471 0.731 1.00 0.00 C ATOM 784 CD2 LEU A 51 4.297 1.989 -0.974 1.00 0.00 C ATOM 0 H LEU A 51 7.743 -0.962 -3.048 1.00 0.00 H new ATOM 0 HA LEU A 51 7.715 -0.167 -0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.715 1.354 -1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.618 0.067 -2.351 1.00 0.00 H new ATOM 0 HG LEU A 51 4.629 0.059 -0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.308 1.792 1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.660 0.698 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.599 2.322 0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.607 2.296 -0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.883 2.849 -1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.732 1.595 -1.819 1.00 0.00 H new ATOM 796 N GLN A 52 6.757 -2.305 0.450 1.00 0.00 N ATOM 797 CA GLN A 52 6.275 -3.581 0.872 1.00 0.00 C ATOM 798 C GLN A 52 5.067 -3.391 1.734 1.00 0.00 C ATOM 799 O GLN A 52 5.076 -2.599 2.674 1.00 0.00 O ATOM 800 CB GLN A 52 7.363 -4.323 1.613 1.00 0.00 C ATOM 801 CG GLN A 52 7.015 -5.738 2.008 1.00 0.00 C ATOM 802 CD GLN A 52 8.174 -6.450 2.655 1.00 0.00 C ATOM 803 OE1 GLN A 52 8.343 -6.418 3.880 1.00 0.00 O ATOM 804 NE2 GLN A 52 8.993 -7.072 1.849 1.00 0.00 N ATOM 0 H GLN A 52 7.166 -1.740 1.194 1.00 0.00 H new ATOM 0 HA GLN A 52 5.993 -4.177 0.004 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.257 -4.345 0.989 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.616 -3.762 2.513 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.170 -5.724 2.696 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.698 -6.292 1.125 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.817 -7.074 0.844 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.809 -7.556 2.224 1.00 0.00 H new ATOM 813 N ILE A 53 4.030 -4.080 1.414 1.00 0.00 N ATOM 814 CA ILE A 53 2.807 -3.929 2.127 1.00 0.00 C ATOM 815 C ILE A 53 2.509 -5.209 2.877 1.00 0.00 C ATOM 816 O ILE A 53 2.675 -6.303 2.348 1.00 0.00 O ATOM 817 CB ILE A 53 1.642 -3.586 1.157 1.00 0.00 C ATOM 818 CG1 ILE A 53 1.981 -2.348 0.294 1.00 0.00 C ATOM 819 CG2 ILE A 53 0.330 -3.376 1.906 1.00 0.00 C ATOM 820 CD1 ILE A 53 2.260 -1.077 1.046 1.00 0.00 C ATOM 0 H ILE A 53 4.002 -4.761 0.655 1.00 0.00 H new ATOM 0 HA ILE A 53 2.905 -3.106 2.835 1.00 0.00 H new ATOM 0 HB ILE A 53 1.513 -4.441 0.493 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.852 -2.584 -0.318 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.151 -2.168 -0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.461 -3.138 1.195 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.070 -4.286 2.447 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.442 -2.554 2.613 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.485 -0.278 0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.385 -0.804 1.636 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.112 -1.226 1.709 1.00 0.00 H new ATOM 832 N THR A 54 2.150 -5.074 4.101 1.00 0.00 N ATOM 833 CA THR A 54 1.772 -6.182 4.923 1.00 0.00 C ATOM 834 C THR A 54 0.314 -5.974 5.298 1.00 0.00 C ATOM 835 O THR A 54 -0.154 -4.867 5.266 1.00 0.00 O ATOM 836 CB THR A 54 2.651 -6.207 6.189 1.00 0.00 C ATOM 837 OG1 THR A 54 4.020 -6.112 5.789 1.00 0.00 O ATOM 838 CG2 THR A 54 2.448 -7.495 6.980 1.00 0.00 C ATOM 0 H THR A 54 2.107 -4.173 4.577 1.00 0.00 H new ATOM 0 HA THR A 54 1.904 -7.130 4.401 1.00 0.00 H new ATOM 0 HB THR A 54 2.372 -5.370 6.829 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.421 -5.310 6.184 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.082 -7.481 7.867 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.404 -7.576 7.282 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.713 -8.350 6.358 1.00 0.00 H new ATOM 846 N ASN A 55 -0.402 -7.005 5.568 1.00 0.00 N ATOM 847 CA ASN A 55 -1.776 -6.865 5.985 1.00 0.00 C ATOM 848 C ASN A 55 -1.807 -6.597 7.494 1.00 0.00 C ATOM 849 O ASN A 55 -0.964 -7.098 8.211 1.00 0.00 O ATOM 850 CB ASN A 55 -2.528 -8.138 5.670 1.00 0.00 C ATOM 851 CG ASN A 55 -4.003 -7.975 5.730 1.00 0.00 C ATOM 852 OD1 ASN A 55 -4.576 -7.992 6.784 1.00 0.00 O ATOM 853 ND2 ASN A 55 -4.636 -7.917 4.629 1.00 0.00 N ATOM 0 H ASN A 55 -0.069 -7.967 5.511 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.247 -6.036 5.457 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.247 -8.482 4.675 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.226 -8.915 6.373 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.655 -7.884 4.628 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.124 -7.904 3.747 1.00 0.00 H new ATOM 860 N ALA A 56 -2.756 -5.816 7.969 1.00 0.00 N ATOM 861 CA ALA A 56 -2.841 -5.505 9.404 1.00 0.00 C ATOM 862 C ALA A 56 -3.787 -6.462 10.120 1.00 0.00 C ATOM 863 O ALA A 56 -3.837 -6.510 11.340 1.00 0.00 O ATOM 864 CB ALA A 56 -3.316 -4.074 9.610 1.00 0.00 C ATOM 0 H ALA A 56 -3.480 -5.382 7.397 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.843 -5.620 9.827 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.374 -3.860 10.677 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.614 -3.386 9.139 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.302 -3.950 9.161 1.00 0.00 H new ATOM 870 N GLN A 57 -4.538 -7.201 9.346 1.00 0.00 N ATOM 871 CA GLN A 57 -5.545 -8.106 9.866 1.00 0.00 C ATOM 872 C GLN A 57 -5.068 -9.552 9.803 1.00 0.00 C ATOM 873 O GLN A 57 -5.345 -10.348 10.703 1.00 0.00 O ATOM 874 CB GLN A 57 -6.828 -7.942 9.052 1.00 0.00 C ATOM 875 CG GLN A 57 -7.335 -6.514 9.031 1.00 0.00 C ATOM 876 CD GLN A 57 -8.510 -6.298 8.105 1.00 0.00 C ATOM 877 OE1 GLN A 57 -8.650 -6.967 7.084 1.00 0.00 O ATOM 878 NE2 GLN A 57 -9.332 -5.342 8.426 1.00 0.00 N ATOM 0 H GLN A 57 -4.472 -7.196 8.328 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.733 -7.862 10.912 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.648 -8.273 8.029 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.600 -8.590 9.466 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.623 -6.226 10.042 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.521 -5.854 8.731 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.184 -4.808 9.282 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.125 -5.127 7.822 1.00 0.00 H new ATOM 887 N THR A 58 -4.395 -9.904 8.730 1.00 0.00 N ATOM 888 CA THR A 58 -3.896 -11.248 8.573 1.00 0.00 C ATOM 889 C THR A 58 -2.423 -11.277 8.930 1.00 0.00 C ATOM 890 O THR A 58 -1.891 -12.296 9.367 1.00 0.00 O ATOM 891 CB THR A 58 -4.101 -11.739 7.117 1.00 0.00 C ATOM 892 OG1 THR A 58 -3.271 -10.989 6.228 1.00 0.00 O ATOM 893 CG2 THR A 58 -5.537 -11.513 6.695 1.00 0.00 C ATOM 0 H THR A 58 -4.182 -9.277 7.954 1.00 0.00 H new ATOM 0 HA THR A 58 -4.447 -11.914 9.237 1.00 0.00 H new ATOM 0 HB THR A 58 -3.849 -12.799 7.076 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.405 -11.306 5.310 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.674 -11.860 5.671 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.202 -12.066 7.358 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.770 -10.450 6.752 1.00 0.00 H new ATOM 901 N LYS A 59 -1.796 -10.097 8.784 1.00 0.00 N ATOM 902 CA LYS A 59 -0.369 -9.872 8.999 1.00 0.00 C ATOM 903 C LYS A 59 0.467 -10.568 7.924 1.00 0.00 C ATOM 904 O LYS A 59 1.650 -10.835 8.112 1.00 0.00 O ATOM 905 CB LYS A 59 0.067 -10.249 10.431 1.00 0.00 C ATOM 906 CG LYS A 59 -0.714 -9.514 11.535 1.00 0.00 C ATOM 907 CD LYS A 59 -0.619 -7.988 11.419 1.00 0.00 C ATOM 908 CE LYS A 59 0.794 -7.457 11.643 1.00 0.00 C ATOM 909 NZ LYS A 59 1.247 -7.644 13.039 1.00 0.00 N ATOM 0 H LYS A 59 -2.291 -9.250 8.504 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.184 -8.802 8.902 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.056 -11.324 10.567 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.129 -10.033 10.546 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.762 -9.812 11.492 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.335 -9.824 12.509 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.963 -7.683 10.431 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.291 -7.532 12.146 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.483 -7.966 10.968 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.826 -6.397 11.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.168 -7.179 13.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.552 -7.224 13.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.340 -8.660 13.241 1.00 0.00 H new ATOM 923 N GLU A 60 -0.150 -10.783 6.771 1.00 0.00 N ATOM 924 CA GLU A 60 0.510 -11.413 5.636 1.00 0.00 C ATOM 925 C GLU A 60 1.167 -10.341 4.759 1.00 0.00 C ATOM 926 O GLU A 60 0.564 -9.294 4.504 1.00 0.00 O ATOM 927 CB GLU A 60 -0.536 -12.173 4.817 1.00 0.00 C ATOM 928 CG GLU A 60 -0.014 -12.846 3.563 1.00 0.00 C ATOM 929 CD GLU A 60 -1.114 -13.499 2.767 1.00 0.00 C ATOM 930 OE1 GLU A 60 -1.858 -12.792 2.054 1.00 0.00 O ATOM 931 OE2 GLU A 60 -1.273 -14.730 2.841 1.00 0.00 O ATOM 0 H GLU A 60 -1.121 -10.526 6.596 1.00 0.00 H new ATOM 0 HA GLU A 60 1.277 -12.101 5.991 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.991 -12.932 5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.327 -11.478 4.534 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.493 -12.108 2.941 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.728 -13.596 3.837 1.00 0.00 H new ATOM 938 N GLU A 61 2.392 -10.578 4.331 1.00 0.00 N ATOM 939 CA GLU A 61 3.063 -9.686 3.430 1.00 0.00 C ATOM 940 C GLU A 61 2.582 -9.890 2.006 1.00 0.00 C ATOM 941 O GLU A 61 2.347 -11.021 1.569 1.00 0.00 O ATOM 942 CB GLU A 61 4.578 -9.883 3.434 1.00 0.00 C ATOM 943 CG GLU A 61 5.372 -9.079 4.454 1.00 0.00 C ATOM 944 CD GLU A 61 5.310 -9.609 5.859 1.00 0.00 C ATOM 945 OE1 GLU A 61 4.916 -10.776 6.062 1.00 0.00 O ATOM 946 OE2 GLU A 61 5.751 -8.907 6.782 1.00 0.00 O ATOM 0 H GLU A 61 2.941 -11.394 4.602 1.00 0.00 H new ATOM 0 HA GLU A 61 2.828 -8.681 3.780 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.783 -10.940 3.601 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.955 -9.639 2.441 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.415 -9.047 4.138 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.006 -8.052 4.451 1.00 0.00 H new ATOM 953 N TYR A 62 2.454 -8.811 1.299 1.00 0.00 N ATOM 954 CA TYR A 62 2.133 -8.840 -0.103 1.00 0.00 C ATOM 955 C TYR A 62 3.408 -8.562 -0.872 1.00 0.00 C ATOM 956 O TYR A 62 3.865 -7.414 -0.976 1.00 0.00 O ATOM 957 CB TYR A 62 1.037 -7.829 -0.458 1.00 0.00 C ATOM 958 CG TYR A 62 -0.283 -8.094 0.236 1.00 0.00 C ATOM 959 CD1 TYR A 62 -1.113 -9.124 -0.189 1.00 0.00 C ATOM 960 CD2 TYR A 62 -0.691 -7.327 1.317 1.00 0.00 C ATOM 961 CE1 TYR A 62 -2.311 -9.380 0.440 1.00 0.00 C ATOM 962 CE2 TYR A 62 -1.890 -7.578 1.953 1.00 0.00 C ATOM 963 CZ TYR A 62 -2.696 -8.607 1.508 1.00 0.00 C ATOM 964 OH TYR A 62 -3.890 -8.866 2.144 1.00 0.00 O ATOM 0 H TYR A 62 2.570 -7.872 1.679 1.00 0.00 H new ATOM 0 HA TYR A 62 1.736 -9.819 -0.370 1.00 0.00 H new ATOM 0 HB2 TYR A 62 1.380 -6.828 -0.197 1.00 0.00 H new ATOM 0 HB3 TYR A 62 0.879 -7.841 -1.536 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.813 -9.735 -1.028 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.062 -6.522 1.666 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.944 -10.184 0.095 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.196 -6.973 2.794 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.096 -9.822 2.076 1.00 0.00 H new ATOM 974 N THR A 63 4.007 -9.612 -1.347 1.00 0.00 N ATOM 975 CA THR A 63 5.294 -9.551 -1.975 1.00 0.00 C ATOM 976 C THR A 63 5.246 -9.128 -3.450 1.00 0.00 C ATOM 977 O THR A 63 6.168 -8.476 -3.946 1.00 0.00 O ATOM 978 CB THR A 63 5.991 -10.904 -1.790 1.00 0.00 C ATOM 979 OG1 THR A 63 5.024 -11.958 -1.987 1.00 0.00 O ATOM 980 CG2 THR A 63 6.577 -11.016 -0.393 1.00 0.00 C ATOM 0 H THR A 63 3.610 -10.551 -1.309 1.00 0.00 H new ATOM 0 HA THR A 63 5.869 -8.764 -1.488 1.00 0.00 H new ATOM 0 HB THR A 63 6.800 -10.990 -2.516 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.460 -12.828 -1.872 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.067 -11.983 -0.281 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.305 -10.220 -0.239 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.779 -10.926 0.344 1.00 0.00 H new ATOM 988 N ASP A 64 4.179 -9.468 -4.134 1.00 0.00 N ATOM 989 CA ASP A 64 4.050 -9.130 -5.552 1.00 0.00 C ATOM 990 C ASP A 64 3.080 -8.009 -5.784 1.00 0.00 C ATOM 991 O ASP A 64 2.002 -7.997 -5.211 1.00 0.00 O ATOM 992 CB ASP A 64 3.627 -10.339 -6.395 1.00 0.00 C ATOM 993 CG ASP A 64 4.781 -11.220 -6.792 1.00 0.00 C ATOM 994 OD1 ASP A 64 5.383 -10.979 -7.855 1.00 0.00 O ATOM 995 OD2 ASP A 64 5.107 -12.183 -6.057 1.00 0.00 O ATOM 0 H ASP A 64 3.385 -9.976 -3.744 1.00 0.00 H new ATOM 0 HA ASP A 64 5.042 -8.806 -5.867 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.904 -10.930 -5.833 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.121 -9.987 -7.294 1.00 0.00 H new ATOM 1000 N ASP A 65 3.436 -7.100 -6.705 1.00 0.00 N ATOM 1001 CA ASP A 65 2.583 -5.929 -7.106 1.00 0.00 C ATOM 1002 C ASP A 65 1.270 -6.386 -7.746 1.00 0.00 C ATOM 1003 O ASP A 65 0.373 -5.576 -8.034 1.00 0.00 O ATOM 1004 CB ASP A 65 3.297 -4.998 -8.115 1.00 0.00 C ATOM 1005 CG ASP A 65 4.333 -4.021 -7.554 1.00 0.00 C ATOM 1006 OD1 ASP A 65 5.388 -4.453 -7.038 1.00 0.00 O ATOM 1007 OD2 ASP A 65 4.125 -2.791 -7.661 1.00 0.00 O ATOM 0 H ASP A 65 4.324 -7.141 -7.205 1.00 0.00 H new ATOM 0 HA ASP A 65 2.387 -5.383 -6.184 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.790 -5.622 -8.860 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.536 -4.419 -8.638 1.00 0.00 H new ATOM 1012 N ASN A 66 1.174 -7.670 -7.971 1.00 0.00 N ATOM 1013 CA ASN A 66 0.009 -8.292 -8.560 1.00 0.00 C ATOM 1014 C ASN A 66 -0.980 -8.727 -7.499 1.00 0.00 C ATOM 1015 O ASN A 66 -2.028 -9.292 -7.809 1.00 0.00 O ATOM 1016 CB ASN A 66 0.418 -9.470 -9.439 1.00 0.00 C ATOM 1017 CG ASN A 66 1.075 -9.035 -10.733 1.00 0.00 C ATOM 1018 OD1 ASN A 66 0.407 -8.883 -11.758 1.00 0.00 O ATOM 1019 ND2 ASN A 66 2.371 -8.803 -10.702 1.00 0.00 N ATOM 0 H ASN A 66 1.918 -8.330 -7.746 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.487 -7.551 -9.187 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.105 -10.110 -8.885 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.463 -10.070 -9.668 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.853 -8.487 -11.544 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.893 -8.939 -9.836 1.00 0.00 H new ATOM 1026 N ALA A 67 -0.643 -8.486 -6.243 1.00 0.00 N ATOM 1027 CA ALA A 67 -1.560 -8.749 -5.154 1.00 0.00 C ATOM 1028 C ALA A 67 -2.602 -7.644 -5.145 1.00 0.00 C ATOM 1029 O ALA A 67 -2.333 -6.557 -5.625 1.00 0.00 O ATOM 1030 CB ALA A 67 -0.818 -8.790 -3.828 1.00 0.00 C ATOM 0 H ALA A 67 0.260 -8.109 -5.955 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.039 -9.718 -5.293 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.524 -8.989 -3.022 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.067 -9.580 -3.856 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.330 -7.831 -3.654 1.00 0.00 H new ATOM 1036 N LEU A 68 -3.772 -7.914 -4.678 1.00 0.00 N ATOM 1037 CA LEU A 68 -4.814 -6.920 -4.658 1.00 0.00 C ATOM 1038 C LEU A 68 -5.254 -6.645 -3.232 1.00 0.00 C ATOM 1039 O LEU A 68 -5.364 -7.582 -2.416 1.00 0.00 O ATOM 1040 CB LEU A 68 -5.985 -7.360 -5.549 1.00 0.00 C ATOM 1041 CG LEU A 68 -6.809 -8.542 -5.048 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -7.987 -8.059 -4.236 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -7.243 -9.435 -6.182 1.00 0.00 C ATOM 0 H LEU A 68 -4.043 -8.821 -4.299 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.427 -5.985 -5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.653 -6.509 -5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.590 -7.611 -6.533 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.176 -9.144 -4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.564 -8.915 -3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.629 -7.489 -3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.620 -7.424 -4.856 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.828 -10.266 -5.787 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.852 -8.864 -6.883 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.364 -9.822 -6.697 1.00 0.00 H new ATOM 1055 N ILE A 69 -5.453 -5.401 -2.895 1.00 0.00 N ATOM 1056 CA ILE A 69 -5.943 -5.083 -1.586 1.00 0.00 C ATOM 1057 C ILE A 69 -7.320 -4.422 -1.698 1.00 0.00 C ATOM 1058 O ILE A 69 -7.476 -3.397 -2.347 1.00 0.00 O ATOM 1059 CB ILE A 69 -4.971 -4.187 -0.727 1.00 0.00 C ATOM 1060 CG1 ILE A 69 -3.603 -4.862 -0.498 1.00 0.00 C ATOM 1061 CG2 ILE A 69 -5.598 -3.844 0.622 1.00 0.00 C ATOM 1062 CD1 ILE A 69 -2.651 -4.820 -1.673 1.00 0.00 C ATOM 0 H ILE A 69 -5.285 -4.599 -3.503 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.015 -6.029 -1.049 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.807 -3.273 -1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.121 -4.385 0.355 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.772 -5.904 -0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.909 -3.225 1.197 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.528 -3.299 0.463 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.805 -4.763 1.171 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.721 -5.322 -1.406 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.104 -5.325 -2.526 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.442 -3.783 -1.935 1.00 0.00 H new ATOM 1074 N PRO A 70 -8.340 -5.059 -1.146 1.00 0.00 N ATOM 1075 CA PRO A 70 -9.688 -4.512 -1.109 1.00 0.00 C ATOM 1076 C PRO A 70 -9.874 -3.483 -0.002 1.00 0.00 C ATOM 1077 O PRO A 70 -9.144 -3.476 0.993 1.00 0.00 O ATOM 1078 CB PRO A 70 -10.544 -5.741 -0.827 1.00 0.00 C ATOM 1079 CG PRO A 70 -9.653 -6.641 -0.041 1.00 0.00 C ATOM 1080 CD PRO A 70 -8.264 -6.390 -0.535 1.00 0.00 C ATOM 0 HA PRO A 70 -9.940 -3.986 -2.030 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -11.441 -5.480 -0.265 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -10.874 -6.216 -1.751 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.731 -6.431 1.026 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.933 -7.685 -0.181 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.540 -6.415 0.280 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.955 -7.144 -1.259 1.00 0.00 H new ATOM 1088 N LYS A 71 -10.895 -2.652 -0.150 1.00 0.00 N ATOM 1089 CA LYS A 71 -11.238 -1.625 0.850 1.00 0.00 C ATOM 1090 C LYS A 71 -11.812 -2.259 2.129 1.00 0.00 C ATOM 1091 O LYS A 71 -12.208 -1.571 3.062 1.00 0.00 O ATOM 1092 CB LYS A 71 -12.261 -0.633 0.282 1.00 0.00 C ATOM 1093 CG LYS A 71 -13.489 -1.302 -0.293 1.00 0.00 C ATOM 1094 CD LYS A 71 -14.637 -0.331 -0.496 1.00 0.00 C ATOM 1095 CE LYS A 71 -15.918 -1.079 -0.824 1.00 0.00 C ATOM 1096 NZ LYS A 71 -17.075 -0.172 -0.994 1.00 0.00 N ATOM 0 H LYS A 71 -11.514 -2.662 -0.961 1.00 0.00 H new ATOM 0 HA LYS A 71 -10.317 -1.098 1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.566 0.055 1.071 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.784 -0.035 -0.495 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.234 -1.764 -1.247 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.808 -2.103 0.374 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.779 0.266 0.405 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.397 0.361 -1.303 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.775 -1.655 -1.738 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.133 -1.792 -0.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.924 -0.730 -1.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.231 0.360 -0.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.884 0.492 -1.771 1.00 0.00 H new ATOM 1110 N ASN A 72 -11.886 -3.555 2.144 1.00 0.00 N ATOM 1111 CA ASN A 72 -12.407 -4.296 3.286 1.00 0.00 C ATOM 1112 C ASN A 72 -11.293 -4.581 4.271 1.00 0.00 C ATOM 1113 O ASN A 72 -11.539 -5.016 5.399 1.00 0.00 O ATOM 1114 CB ASN A 72 -12.983 -5.644 2.839 1.00 0.00 C ATOM 1115 CG ASN A 72 -13.945 -5.544 1.687 1.00 0.00 C ATOM 1116 OD1 ASN A 72 -13.536 -5.634 0.537 1.00 0.00 O ATOM 1117 ND2 ASN A 72 -15.207 -5.378 1.964 1.00 0.00 N ATOM 0 H ASN A 72 -11.589 -4.145 1.367 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.186 -3.689 3.747 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.162 -6.303 2.558 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.490 -6.109 3.684 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.891 -5.319 1.210 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.511 -5.307 2.935 1.00 0.00 H new ATOM 1124 N SER A 73 -10.078 -4.345 3.857 1.00 0.00 N ATOM 1125 CA SER A 73 -8.953 -4.733 4.643 1.00 0.00 C ATOM 1126 C SER A 73 -8.053 -3.561 4.990 1.00 0.00 C ATOM 1127 O SER A 73 -7.969 -2.578 4.255 1.00 0.00 O ATOM 1128 CB SER A 73 -8.182 -5.803 3.885 1.00 0.00 C ATOM 1129 OG SER A 73 -9.035 -6.906 3.593 1.00 0.00 O ATOM 0 H SER A 73 -9.848 -3.884 2.977 1.00 0.00 H new ATOM 0 HA SER A 73 -9.313 -5.127 5.593 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.782 -5.388 2.960 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.331 -6.138 4.478 1.00 0.00 H new ATOM 0 HG SER A 73 -8.531 -7.589 3.104 1.00 0.00 H new ATOM 1135 N SER A 74 -7.423 -3.665 6.134 1.00 0.00 N ATOM 1136 CA SER A 74 -6.466 -2.704 6.578 1.00 0.00 C ATOM 1137 C SER A 74 -5.080 -3.301 6.372 1.00 0.00 C ATOM 1138 O SER A 74 -4.848 -4.478 6.703 1.00 0.00 O ATOM 1139 CB SER A 74 -6.704 -2.412 8.055 1.00 0.00 C ATOM 1140 OG SER A 74 -8.070 -2.110 8.274 1.00 0.00 O ATOM 0 H SER A 74 -7.569 -4.435 6.787 1.00 0.00 H new ATOM 0 HA SER A 74 -6.555 -1.772 6.020 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.412 -3.273 8.656 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.082 -1.575 8.374 1.00 0.00 H new ATOM 0 HG SER A 74 -8.216 -1.925 9.225 1.00 0.00 H new ATOM 1146 N VAL A 75 -4.190 -2.542 5.812 1.00 0.00 N ATOM 1147 CA VAL A 75 -2.856 -3.005 5.544 1.00 0.00 C ATOM 1148 C VAL A 75 -1.809 -2.054 6.151 1.00 0.00 C ATOM 1149 O VAL A 75 -2.143 -0.985 6.650 1.00 0.00 O ATOM 1150 CB VAL A 75 -2.605 -3.270 4.010 1.00 0.00 C ATOM 1151 CG1 VAL A 75 -3.427 -4.457 3.523 1.00 0.00 C ATOM 1152 CG2 VAL A 75 -2.964 -2.067 3.165 1.00 0.00 C ATOM 0 H VAL A 75 -4.365 -1.579 5.525 1.00 0.00 H new ATOM 0 HA VAL A 75 -2.745 -3.972 6.035 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.541 -3.479 3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.237 -4.620 2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.146 -5.349 4.083 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.487 -4.252 3.675 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.776 -2.291 2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.018 -1.828 3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.356 -1.215 3.468 1.00 0.00 H new ATOM 1162 N ILE A 76 -0.578 -2.471 6.153 1.00 0.00 N ATOM 1163 CA ILE A 76 0.518 -1.727 6.723 1.00 0.00 C ATOM 1164 C ILE A 76 1.576 -1.524 5.667 1.00 0.00 C ATOM 1165 O ILE A 76 1.906 -2.446 4.917 1.00 0.00 O ATOM 1166 CB ILE A 76 1.114 -2.442 7.970 1.00 0.00 C ATOM 1167 CG1 ILE A 76 0.010 -2.622 9.015 1.00 0.00 C ATOM 1168 CG2 ILE A 76 2.307 -1.662 8.555 1.00 0.00 C ATOM 1169 CD1 ILE A 76 0.460 -3.203 10.321 1.00 0.00 C ATOM 0 H ILE A 76 -0.295 -3.363 5.748 1.00 0.00 H new ATOM 0 HA ILE A 76 0.145 -0.760 7.061 1.00 0.00 H new ATOM 0 HB ILE A 76 1.494 -3.418 7.670 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.450 -1.652 9.206 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.764 -3.265 8.596 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.697 -2.192 9.424 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.090 -1.576 7.802 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.979 -0.666 8.854 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.393 -3.291 10.993 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.891 -4.190 10.151 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.210 -2.552 10.770 1.00 0.00 H new ATOM 1181 N VAL A 77 2.084 -0.338 5.610 1.00 0.00 N ATOM 1182 CA VAL A 77 3.002 0.065 4.595 1.00 0.00 C ATOM 1183 C VAL A 77 4.421 0.169 5.166 1.00 0.00 C ATOM 1184 O VAL A 77 4.647 0.819 6.191 1.00 0.00 O ATOM 1185 CB VAL A 77 2.553 1.416 4.015 1.00 0.00 C ATOM 1186 CG1 VAL A 77 3.389 1.806 2.845 1.00 0.00 C ATOM 1187 CG2 VAL A 77 1.099 1.365 3.627 1.00 0.00 C ATOM 0 H VAL A 77 1.868 0.396 6.284 1.00 0.00 H new ATOM 0 HA VAL A 77 3.013 -0.681 3.801 1.00 0.00 H new ATOM 0 HB VAL A 77 2.684 2.173 4.789 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.047 2.765 2.457 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.431 1.890 3.154 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.302 1.048 2.067 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.797 2.329 3.218 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.950 0.590 2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.496 1.139 4.506 1.00 0.00 H new ATOM 1197 N ARG A 78 5.350 -0.473 4.503 1.00 0.00 N ATOM 1198 CA ARG A 78 6.729 -0.538 4.928 1.00 0.00 C ATOM 1199 C ARG A 78 7.637 -0.325 3.710 1.00 0.00 C ATOM 1200 O ARG A 78 7.412 -0.913 2.667 1.00 0.00 O ATOM 1201 CB ARG A 78 6.947 -1.938 5.501 1.00 0.00 C ATOM 1202 CG ARG A 78 8.336 -2.249 6.011 1.00 0.00 C ATOM 1203 CD ARG A 78 8.407 -3.707 6.440 1.00 0.00 C ATOM 1204 NE ARG A 78 7.444 -4.019 7.501 1.00 0.00 N ATOM 1205 CZ ARG A 78 6.764 -5.176 7.635 1.00 0.00 C ATOM 1206 NH1 ARG A 78 6.944 -6.191 6.769 1.00 0.00 N ATOM 1207 NH2 ARG A 78 5.918 -5.313 8.650 1.00 0.00 N ATOM 0 H ARG A 78 5.167 -0.976 3.635 1.00 0.00 H new ATOM 0 HA ARG A 78 6.958 0.225 5.672 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.242 -2.085 6.319 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.696 -2.666 4.729 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.073 -2.052 5.232 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.580 -1.600 6.852 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.216 -4.347 5.579 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.415 -3.933 6.788 1.00 0.00 H new ATOM 0 HE ARG A 78 7.273 -3.296 8.200 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.603 -6.092 5.997 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.421 -7.059 6.885 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.790 -4.549 9.314 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.396 -6.182 8.765 1.00 0.00 H new ATOM 1221 N ARG A 79 8.639 0.512 3.821 1.00 0.00 N ATOM 1222 CA ARG A 79 9.542 0.717 2.693 1.00 0.00 C ATOM 1223 C ARG A 79 10.673 -0.300 2.807 1.00 0.00 C ATOM 1224 O ARG A 79 11.239 -0.472 3.898 1.00 0.00 O ATOM 1225 CB ARG A 79 10.130 2.134 2.710 1.00 0.00 C ATOM 1226 CG ARG A 79 10.790 2.537 1.399 1.00 0.00 C ATOM 1227 CD ARG A 79 11.585 3.832 1.529 1.00 0.00 C ATOM 1228 NE ARG A 79 12.847 3.630 2.267 1.00 0.00 N ATOM 1229 CZ ARG A 79 13.757 4.584 2.537 1.00 0.00 C ATOM 1230 NH1 ARG A 79 13.505 5.855 2.236 1.00 0.00 N ATOM 1231 NH2 ARG A 79 14.914 4.257 3.108 1.00 0.00 N ATOM 0 H ARG A 79 8.855 1.056 4.656 1.00 0.00 H new ATOM 0 HA ARG A 79 8.992 0.591 1.760 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.336 2.845 2.941 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.864 2.204 3.513 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.452 1.738 1.067 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.026 2.657 0.631 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.804 4.225 0.536 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.980 4.580 2.042 1.00 0.00 H new ATOM 0 HE ARG A 79 13.046 2.687 2.601 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.619 6.110 1.799 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.197 6.575 2.442 1.00 0.00 H new ATOM 0 HH21 ARG A 79 15.111 3.284 3.341 1.00 0.00 H new ATOM 0 HH22 ARG A 79 15.604 4.980 3.313 1.00 0.00 H new ATOM 1245 N ILE A 80 11.001 -0.987 1.736 1.00 0.00 N ATOM 1246 CA ILE A 80 12.066 -1.983 1.784 1.00 0.00 C ATOM 1247 C ILE A 80 13.033 -1.782 0.619 1.00 0.00 C ATOM 1248 O ILE A 80 12.647 -1.254 -0.407 1.00 0.00 O ATOM 1249 CB ILE A 80 11.506 -3.462 1.808 1.00 0.00 C ATOM 1250 CG1 ILE A 80 10.695 -3.833 0.560 1.00 0.00 C ATOM 1251 CG2 ILE A 80 10.689 -3.740 3.052 1.00 0.00 C ATOM 1252 CD1 ILE A 80 11.532 -4.359 -0.581 1.00 0.00 C ATOM 0 H ILE A 80 10.555 -0.881 0.825 1.00 0.00 H new ATOM 0 HA ILE A 80 12.606 -1.838 2.719 1.00 0.00 H new ATOM 0 HB ILE A 80 12.393 -4.095 1.817 1.00 0.00 H new ATOM 0 HG12 ILE A 80 9.954 -4.585 0.831 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.147 -2.954 0.220 1.00 0.00 H new ATOM 0 HG21 ILE A 80 10.325 -4.767 3.026 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.312 -3.598 3.935 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.842 -3.055 3.091 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.886 -4.599 -1.426 1.00 0.00 H new ATOM 0 HD12 ILE A 80 12.256 -3.601 -0.881 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.059 -5.258 -0.261 1.00 0.00 H new ATOM 1264 N PRO A 81 14.296 -2.171 0.759 1.00 0.00 N ATOM 1265 CA PRO A 81 15.259 -2.065 -0.333 1.00 0.00 C ATOM 1266 C PRO A 81 14.919 -3.051 -1.460 1.00 0.00 C ATOM 1267 O PRO A 81 14.710 -4.248 -1.201 1.00 0.00 O ATOM 1268 CB PRO A 81 16.588 -2.446 0.330 1.00 0.00 C ATOM 1269 CG PRO A 81 16.198 -3.295 1.489 1.00 0.00 C ATOM 1270 CD PRO A 81 14.904 -2.731 1.984 1.00 0.00 C ATOM 0 HA PRO A 81 15.274 -1.076 -0.791 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.234 -2.989 -0.360 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.138 -1.562 0.653 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.083 -4.337 1.190 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.960 -3.269 2.268 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.274 -3.499 2.432 1.00 0.00 H new ATOM 0 HD3 PRO A 81 15.062 -1.965 2.743 1.00 0.00 H new