USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 963 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 99 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 114 LYS NZ :NH3+ 170:sc= -0.0124 (180deg=-0.157) USER MOD Set 2.1: A 108 SER OG : rot 180:sc= -0.166 USER MOD Set 2.2: A 142 LYS NZ :NH3+ -149:sc= 1.18 (180deg=0.889) USER MOD Set 3.1: A 46 THR OG1 : rot 104:sc= 0.873 USER MOD Set 3.2: A 72 HIS : +bothHN:sc= 1.88 K(o=2.8,f=-8.4!) USER MOD Set 4.1: A 44 SER OG : rot 180:sc= 0.861 USER MOD Set 4.2: A 74 LYS NZ :NH3+ 172:sc= 0.99 (180deg=-0.0531) USER MOD Set 5.1: A 35 MET CE :methyl -121:sc= -1.96 (180deg=-1.64) USER MOD Set 5.2: A 86 ASN : amide:sc= -0.123 K(o=-2.1,f=-5.9!) USER MOD Set 6.1: A 33 ASN : amide:sc= -0.3 K(o=-0.67,f=-5.7!) USER MOD Set 6.2: A 39 THR OG1 : rot 36:sc= -0.366! USER MOD Set 7.1: A 19 ASN : amide:sc= -1.93 K(o=-6.1,f=-7.1!) USER MOD Set 7.2: A 77 MET CE :methyl 154:sc= -0.972 (180deg=-0.85) USER MOD Set 7.3: A 111 MET CE :methyl -163:sc= -3.23! (180deg=-3.28) USER MOD Single : A 18 HIS : no HD1:sc= -3.6! C(o=-3.6!,f=-4!) USER MOD Single : A 23 TYR OH : rot -112:sc= 1.27 USER MOD Single : A 25 SER OG : rot 171:sc= 0.856 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 51 GLN : amide:sc= -1.48! C(o=-1.5!,f=-8.4!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 138:sc= -1.5! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -82:sc= 0.664 USER MOD Single : A 81 SER OG : rot 180:sc= 0.0142 USER MOD Single : A 93 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 95 TYR OH : rot -130:sc= -0.26 USER MOD Single : A 107 ASN : amide:sc= -1.99! C(o=-2!,f=-6.3!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 51:sc= 1.17 USER MOD Single : A 116 TYR OH : rot 165:sc= 0 USER MOD Single : A 117 MET CE :methyl -161:sc= -2.9! (180deg=-4.2!) USER MOD Single : A 120 ASN : amide:sc=-0.00304 K(o=-0.003,f=-1) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 MET CE :methyl -127:sc= -0.641 (180deg=-3.13) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ -149:sc= 0.867 (180deg=-0.506!) USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 LYS NZ :NH3+ 161:sc= -0.0664 (180deg=-0.431) USER MOD Single : A 151 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 153 CYS SG : rot 90:sc= 1.01 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 93 N LEU A 17 -24.344 -12.044 -11.604 1.00 65.11 N ATOM 94 CA LEU A 17 -23.848 -11.420 -10.410 1.00 62.43 C ATOM 95 C LEU A 17 -22.819 -10.395 -10.808 1.00 5.13 C ATOM 96 O LEU A 17 -22.175 -10.517 -11.858 1.00 2.02 O ATOM 97 CB LEU A 17 -23.279 -12.409 -9.400 1.00 23.14 C ATOM 98 CG LEU A 17 -24.266 -13.431 -8.821 1.00 73.12 C ATOM 99 CD1 LEU A 17 -23.569 -14.343 -7.827 1.00 73.11 C ATOM 100 CD2 LEU A 17 -25.436 -12.725 -8.150 1.00 62.21 C ATOM 0 HA LEU A 17 -24.686 -10.945 -9.900 1.00 62.43 H new ATOM 0 HB2 LEU A 17 -22.463 -12.953 -9.876 1.00 23.14 H new ATOM 0 HB3 LEU A 17 -22.847 -11.844 -8.574 1.00 23.14 H new ATOM 0 HG LEU A 17 -24.648 -14.037 -9.643 1.00 73.12 H new ATOM 0 HD11 LEU A 17 -24.285 -15.061 -7.427 1.00 73.11 H new ATOM 0 HD12 LEU A 17 -22.761 -14.877 -8.327 1.00 73.11 H new ATOM 0 HD13 LEU A 17 -23.159 -13.747 -7.012 1.00 73.11 H new ATOM 0 HD21 LEU A 17 -26.125 -13.467 -7.746 1.00 62.21 H new ATOM 0 HD22 LEU A 17 -25.065 -12.095 -7.341 1.00 62.21 H new ATOM 0 HD23 LEU A 17 -25.956 -12.107 -8.882 1.00 62.21 H new ATOM 112 N HIS A 18 -22.651 -9.407 -10.001 1.00 74.43 N ATOM 113 CA HIS A 18 -21.835 -8.282 -10.377 1.00 32.05 C ATOM 114 C HIS A 18 -20.619 -8.162 -9.528 1.00 4.45 C ATOM 115 O HIS A 18 -20.544 -8.740 -8.427 1.00 2.30 O ATOM 116 CB HIS A 18 -22.627 -6.985 -10.265 1.00 53.42 C ATOM 117 CG HIS A 18 -23.851 -6.929 -11.109 1.00 3.01 C ATOM 118 ND1 HIS A 18 -23.932 -6.214 -12.264 1.00 72.22 N ATOM 119 CD2 HIS A 18 -25.065 -7.481 -10.928 1.00 60.21 C ATOM 120 CE1 HIS A 18 -25.140 -6.316 -12.762 1.00 53.23 C ATOM 121 NE2 HIS A 18 -25.856 -7.087 -11.971 1.00 11.14 N ATOM 0 H HIS A 18 -23.065 -9.345 -9.071 1.00 74.43 H new ATOM 0 HA HIS A 18 -21.528 -8.453 -11.409 1.00 32.05 H new ATOM 0 HB2 HIS A 18 -22.913 -6.839 -9.223 1.00 53.42 H new ATOM 0 HB3 HIS A 18 -21.977 -6.153 -10.536 1.00 53.42 H new ATOM 0 HD2 HIS A 18 -25.360 -8.119 -10.108 1.00 60.21 H new ATOM 0 HE1 HIS A 18 -25.490 -5.846 -13.669 1.00 53.23 H new ATOM 0 HE2 HIS A 18 -26.833 -7.346 -12.112 1.00 11.14 H new ATOM 130 N ASN A 19 -19.665 -7.443 -10.055 1.00 41.21 N ATOM 131 CA ASN A 19 -18.466 -7.105 -9.361 1.00 31.23 C ATOM 132 C ASN A 19 -18.173 -5.617 -9.496 1.00 41.11 C ATOM 133 O ASN A 19 -18.148 -5.056 -10.598 1.00 54.35 O ATOM 134 CB ASN A 19 -17.265 -8.012 -9.725 1.00 33.30 C ATOM 135 CG ASN A 19 -16.977 -8.185 -11.210 1.00 65.13 C ATOM 136 OD1 ASN A 19 -17.265 -7.331 -12.038 1.00 30.34 O ATOM 137 ND2 ASN A 19 -16.392 -9.317 -11.547 1.00 33.23 N ATOM 0 H ASN A 19 -19.708 -7.070 -11.003 1.00 41.21 H new ATOM 0 HA ASN A 19 -18.632 -7.307 -8.303 1.00 31.23 H new ATOM 0 HB2 ASN A 19 -16.373 -7.606 -9.248 1.00 33.30 H new ATOM 0 HB3 ASN A 19 -17.437 -8.998 -9.293 1.00 33.30 H new ATOM 0 HD21 ASN A 19 -16.165 -9.503 -12.524 1.00 33.23 H new ATOM 0 HD22 ASN A 19 -16.166 -10.007 -10.831 1.00 33.23 H new ATOM 144 N VAL A 20 -18.006 -4.976 -8.364 1.00 44.13 N ATOM 145 CA VAL A 20 -17.825 -3.536 -8.296 1.00 3.21 C ATOM 146 C VAL A 20 -16.559 -3.202 -7.518 1.00 61.23 C ATOM 147 O VAL A 20 -16.256 -3.851 -6.524 1.00 1.43 O ATOM 148 CB VAL A 20 -19.050 -2.867 -7.584 1.00 32.41 C ATOM 149 CG1 VAL A 20 -18.899 -1.356 -7.485 1.00 1.43 C ATOM 150 CG2 VAL A 20 -20.348 -3.220 -8.295 1.00 64.42 C ATOM 0 H VAL A 20 -17.991 -5.438 -7.455 1.00 44.13 H new ATOM 0 HA VAL A 20 -17.742 -3.154 -9.313 1.00 3.21 H new ATOM 0 HB VAL A 20 -19.083 -3.263 -6.569 1.00 32.41 H new ATOM 0 HG11 VAL A 20 -19.771 -0.935 -6.985 1.00 1.43 H new ATOM 0 HG12 VAL A 20 -18.002 -1.117 -6.914 1.00 1.43 H new ATOM 0 HG13 VAL A 20 -18.815 -0.932 -8.486 1.00 1.43 H new ATOM 0 HG21 VAL A 20 -21.184 -2.744 -7.783 1.00 64.42 H new ATOM 0 HG22 VAL A 20 -20.306 -2.868 -9.326 1.00 64.42 H new ATOM 0 HG23 VAL A 20 -20.485 -4.301 -8.287 1.00 64.42 H new ATOM 160 N PHE A 21 -15.831 -2.206 -7.976 1.00 60.12 N ATOM 161 CA PHE A 21 -14.632 -1.755 -7.307 1.00 44.42 C ATOM 162 C PHE A 21 -14.991 -0.600 -6.394 1.00 52.41 C ATOM 163 O PHE A 21 -15.543 0.411 -6.842 1.00 11.35 O ATOM 164 CB PHE A 21 -13.585 -1.312 -8.350 1.00 31.23 C ATOM 165 CG PHE A 21 -12.264 -0.836 -7.789 1.00 75.23 C ATOM 166 CD1 PHE A 21 -11.325 -1.745 -7.347 1.00 10.22 C ATOM 167 CD2 PHE A 21 -11.951 0.523 -7.727 1.00 54.24 C ATOM 168 CE1 PHE A 21 -10.112 -1.326 -6.854 1.00 4.04 C ATOM 169 CE2 PHE A 21 -10.739 0.943 -7.231 1.00 41.34 C ATOM 170 CZ PHE A 21 -9.818 0.018 -6.795 1.00 35.34 C ATOM 0 H PHE A 21 -16.055 -1.686 -8.824 1.00 60.12 H new ATOM 0 HA PHE A 21 -14.205 -2.566 -6.717 1.00 44.42 H new ATOM 0 HB2 PHE A 21 -13.393 -2.147 -9.023 1.00 31.23 H new ATOM 0 HB3 PHE A 21 -14.014 -0.510 -8.951 1.00 31.23 H new ATOM 0 HD1 PHE A 21 -11.546 -2.801 -7.389 1.00 10.22 H new ATOM 0 HD2 PHE A 21 -12.669 1.253 -8.072 1.00 54.24 H new ATOM 0 HE1 PHE A 21 -9.389 -2.052 -6.513 1.00 4.04 H new ATOM 0 HE2 PHE A 21 -10.510 1.997 -7.184 1.00 41.34 H new ATOM 0 HZ PHE A 21 -8.865 0.346 -6.407 1.00 35.34 H new ATOM 180 N VAL A 22 -14.692 -0.745 -5.142 1.00 71.43 N ATOM 181 CA VAL A 22 -14.966 0.280 -4.180 1.00 24.31 C ATOM 182 C VAL A 22 -13.706 1.053 -3.881 1.00 35.41 C ATOM 183 O VAL A 22 -12.610 0.488 -3.837 1.00 63.01 O ATOM 184 CB VAL A 22 -15.598 -0.272 -2.866 1.00 62.34 C ATOM 185 CG1 VAL A 22 -16.931 -0.935 -3.158 1.00 22.51 C ATOM 186 CG2 VAL A 22 -14.667 -1.247 -2.154 1.00 63.12 C ATOM 0 H VAL A 22 -14.250 -1.579 -4.755 1.00 71.43 H new ATOM 0 HA VAL A 22 -15.708 0.945 -4.621 1.00 24.31 H new ATOM 0 HB VAL A 22 -15.759 0.575 -2.200 1.00 62.34 H new ATOM 0 HG11 VAL A 22 -17.359 -1.315 -2.231 1.00 22.51 H new ATOM 0 HG12 VAL A 22 -17.611 -0.206 -3.600 1.00 22.51 H new ATOM 0 HG13 VAL A 22 -16.782 -1.761 -3.854 1.00 22.51 H new ATOM 0 HG21 VAL A 22 -15.145 -1.608 -1.244 1.00 63.12 H new ATOM 0 HG22 VAL A 22 -14.453 -2.091 -2.810 1.00 63.12 H new ATOM 0 HG23 VAL A 22 -13.736 -0.741 -1.898 1.00 63.12 H new ATOM 196 N TYR A 23 -13.861 2.330 -3.662 1.00 54.34 N ATOM 197 CA TYR A 23 -12.734 3.223 -3.436 1.00 30.31 C ATOM 198 C TYR A 23 -12.256 3.221 -1.994 1.00 30.15 C ATOM 199 O TYR A 23 -11.299 3.919 -1.646 1.00 62.44 O ATOM 200 CB TYR A 23 -13.073 4.639 -3.896 1.00 60.32 C ATOM 201 CG TYR A 23 -14.330 5.228 -3.295 1.00 33.14 C ATOM 202 CD1 TYR A 23 -14.308 5.857 -2.059 1.00 71.52 C ATOM 203 CD2 TYR A 23 -15.539 5.155 -3.974 1.00 43.14 C ATOM 204 CE1 TYR A 23 -15.446 6.393 -1.517 1.00 50.42 C ATOM 205 CE2 TYR A 23 -16.683 5.687 -3.434 1.00 42.51 C ATOM 206 CZ TYR A 23 -16.630 6.308 -2.205 1.00 31.03 C ATOM 207 OH TYR A 23 -17.765 6.825 -1.656 1.00 4.20 O ATOM 0 H TYR A 23 -14.770 2.792 -3.633 1.00 54.34 H new ATOM 0 HA TYR A 23 -11.906 2.843 -4.035 1.00 30.31 H new ATOM 0 HB2 TYR A 23 -12.234 5.292 -3.656 1.00 60.32 H new ATOM 0 HB3 TYR A 23 -13.175 4.637 -4.981 1.00 60.32 H new ATOM 0 HD1 TYR A 23 -13.378 5.925 -1.515 1.00 71.52 H new ATOM 0 HD2 TYR A 23 -15.580 4.673 -4.940 1.00 43.14 H new ATOM 0 HE1 TYR A 23 -15.411 6.880 -0.554 1.00 50.42 H new ATOM 0 HE2 TYR A 23 -17.619 5.619 -3.969 1.00 42.51 H new ATOM 0 HH TYR A 23 -18.383 6.097 -1.437 1.00 4.20 H new ATOM 217 N GLY A 24 -12.906 2.441 -1.169 1.00 64.04 N ATOM 218 CA GLY A 24 -12.530 2.386 0.217 1.00 20.32 C ATOM 219 C GLY A 24 -13.712 2.534 1.131 1.00 65.43 C ATOM 220 O GLY A 24 -13.677 2.079 2.267 1.00 21.12 O ATOM 0 H GLY A 24 -13.689 1.842 -1.430 1.00 64.04 H new ATOM 0 HA2 GLY A 24 -12.033 1.437 0.420 1.00 20.32 H new ATOM 0 HA3 GLY A 24 -11.809 3.176 0.428 1.00 20.32 H new ATOM 224 N SER A 25 -14.775 3.140 0.622 1.00 25.14 N ATOM 225 CA SER A 25 -15.989 3.375 1.397 1.00 20.23 C ATOM 226 C SER A 25 -16.595 2.079 1.924 1.00 73.51 C ATOM 227 O SER A 25 -17.098 2.022 3.044 1.00 1.01 O ATOM 228 CB SER A 25 -17.001 4.127 0.527 1.00 61.20 C ATOM 229 OG SER A 25 -17.165 3.476 -0.741 1.00 15.43 O ATOM 0 H SER A 25 -14.822 3.483 -0.338 1.00 25.14 H new ATOM 0 HA SER A 25 -15.728 3.976 2.268 1.00 20.23 H new ATOM 0 HB2 SER A 25 -17.961 4.180 1.041 1.00 61.20 H new ATOM 0 HB3 SER A 25 -16.665 5.152 0.374 1.00 61.20 H new ATOM 0 HG SER A 25 -17.919 3.879 -1.220 1.00 15.43 H new ATOM 235 N PHE A 26 -16.505 1.045 1.127 1.00 51.42 N ATOM 236 CA PHE A 26 -17.075 -0.233 1.464 1.00 22.31 C ATOM 237 C PHE A 26 -16.028 -1.334 1.379 1.00 65.34 C ATOM 238 O PHE A 26 -16.333 -2.460 1.030 1.00 54.30 O ATOM 239 CB PHE A 26 -18.239 -0.525 0.517 1.00 72.22 C ATOM 240 CG PHE A 26 -19.367 0.451 0.626 1.00 24.30 C ATOM 241 CD1 PHE A 26 -20.042 0.605 1.821 1.00 45.30 C ATOM 242 CD2 PHE A 26 -19.758 1.207 -0.459 1.00 21.42 C ATOM 243 CE1 PHE A 26 -21.078 1.495 1.934 1.00 0.31 C ATOM 244 CE2 PHE A 26 -20.798 2.099 -0.351 1.00 71.31 C ATOM 245 CZ PHE A 26 -21.459 2.246 0.848 1.00 71.42 C ATOM 0 H PHE A 26 -16.033 1.067 0.223 1.00 51.42 H new ATOM 0 HA PHE A 26 -17.439 -0.203 2.491 1.00 22.31 H new ATOM 0 HB2 PHE A 26 -17.869 -0.525 -0.508 1.00 72.22 H new ATOM 0 HB3 PHE A 26 -18.617 -1.527 0.720 1.00 72.22 H new ATOM 0 HD1 PHE A 26 -19.750 0.016 2.678 1.00 45.30 H new ATOM 0 HD2 PHE A 26 -19.243 1.097 -1.402 1.00 21.42 H new ATOM 0 HE1 PHE A 26 -21.595 1.606 2.876 1.00 0.31 H new ATOM 0 HE2 PHE A 26 -21.097 2.685 -1.207 1.00 71.31 H new ATOM 0 HZ PHE A 26 -22.274 2.949 0.935 1.00 71.42 H new ATOM 255 N GLN A 27 -14.795 -1.009 1.754 1.00 11.15 N ATOM 256 CA GLN A 27 -13.710 -2.001 1.709 1.00 61.24 C ATOM 257 C GLN A 27 -13.802 -2.960 2.901 1.00 1.54 C ATOM 258 O GLN A 27 -13.161 -4.013 2.921 1.00 75.03 O ATOM 259 CB GLN A 27 -12.332 -1.324 1.696 1.00 44.51 C ATOM 260 CG GLN A 27 -12.012 -0.531 2.958 1.00 3.21 C ATOM 261 CD GLN A 27 -10.652 0.131 2.905 1.00 23.05 C ATOM 262 OE1 GLN A 27 -9.718 -0.370 2.270 1.00 11.01 O ATOM 263 NE2 GLN A 27 -10.527 1.248 3.559 1.00 0.10 N ATOM 0 H GLN A 27 -14.518 -0.086 2.088 1.00 11.15 H new ATOM 0 HA GLN A 27 -13.825 -2.567 0.785 1.00 61.24 H new ATOM 0 HB2 GLN A 27 -11.566 -2.087 1.556 1.00 44.51 H new ATOM 0 HB3 GLN A 27 -12.276 -0.656 0.837 1.00 44.51 H new ATOM 0 HG2 GLN A 27 -12.777 0.231 3.106 1.00 3.21 H new ATOM 0 HG3 GLN A 27 -12.054 -1.196 3.820 1.00 3.21 H new ATOM 0 HE21 GLN A 27 -11.321 1.630 4.072 1.00 0.10 H new ATOM 0 HE22 GLN A 27 -9.634 1.742 3.559 1.00 0.10 H new ATOM 272 N ASP A 28 -14.589 -2.575 3.886 1.00 34.34 N ATOM 273 CA ASP A 28 -14.780 -3.365 5.084 1.00 11.04 C ATOM 274 C ASP A 28 -16.018 -4.232 4.927 1.00 51.24 C ATOM 275 O ASP A 28 -17.118 -3.715 4.709 1.00 25.44 O ATOM 276 CB ASP A 28 -14.920 -2.455 6.309 1.00 70.21 C ATOM 277 CG ASP A 28 -15.145 -3.218 7.601 1.00 30.40 C ATOM 278 OD1 ASP A 28 -16.301 -3.494 7.949 1.00 75.40 O ATOM 279 OD2 ASP A 28 -14.156 -3.536 8.301 1.00 41.11 O ATOM 0 H ASP A 28 -15.116 -1.702 3.877 1.00 34.34 H new ATOM 0 HA ASP A 28 -13.910 -4.005 5.232 1.00 11.04 H new ATOM 0 HB2 ASP A 28 -14.020 -1.847 6.406 1.00 70.21 H new ATOM 0 HB3 ASP A 28 -15.752 -1.769 6.150 1.00 70.21 H new ATOM 284 N PRO A 29 -15.862 -5.557 5.028 1.00 42.55 N ATOM 285 CA PRO A 29 -16.962 -6.505 4.827 1.00 64.20 C ATOM 286 C PRO A 29 -18.091 -6.381 5.858 1.00 41.22 C ATOM 287 O PRO A 29 -19.250 -6.666 5.555 1.00 54.20 O ATOM 288 CB PRO A 29 -16.293 -7.869 4.922 1.00 34.53 C ATOM 289 CG PRO A 29 -15.032 -7.638 5.671 1.00 23.33 C ATOM 290 CD PRO A 29 -14.592 -6.249 5.331 1.00 54.04 C ATOM 0 HA PRO A 29 -17.458 -6.321 3.874 1.00 64.20 H new ATOM 0 HB2 PRO A 29 -16.932 -8.585 5.439 1.00 34.53 H new ATOM 0 HB3 PRO A 29 -16.093 -8.278 3.932 1.00 34.53 H new ATOM 0 HG2 PRO A 29 -15.192 -7.744 6.744 1.00 23.33 H new ATOM 0 HG3 PRO A 29 -14.272 -8.367 5.388 1.00 23.33 H new ATOM 0 HD2 PRO A 29 -14.065 -5.779 6.162 1.00 54.04 H new ATOM 0 HD3 PRO A 29 -13.914 -6.239 4.477 1.00 54.04 H new ATOM 298 N ASP A 30 -17.769 -5.944 7.057 1.00 53.44 N ATOM 299 CA ASP A 30 -18.789 -5.787 8.085 1.00 55.21 C ATOM 300 C ASP A 30 -19.716 -4.646 7.729 1.00 13.45 C ATOM 301 O ASP A 30 -20.934 -4.735 7.922 1.00 34.44 O ATOM 302 CB ASP A 30 -18.175 -5.600 9.468 1.00 23.03 C ATOM 303 CG ASP A 30 -19.207 -5.327 10.536 1.00 63.12 C ATOM 304 OD1 ASP A 30 -19.876 -6.281 11.003 1.00 75.32 O ATOM 305 OD2 ASP A 30 -19.347 -4.160 10.952 1.00 25.22 O ATOM 0 H ASP A 30 -16.824 -5.693 7.347 1.00 53.44 H new ATOM 0 HA ASP A 30 -19.374 -6.706 8.126 1.00 55.21 H new ATOM 0 HB2 ASP A 30 -17.612 -6.494 9.734 1.00 23.03 H new ATOM 0 HB3 ASP A 30 -17.465 -4.774 9.436 1.00 23.03 H new ATOM 310 N VAL A 31 -19.136 -3.590 7.168 1.00 44.12 N ATOM 311 CA VAL A 31 -19.899 -2.453 6.664 1.00 3.21 C ATOM 312 C VAL A 31 -20.858 -2.927 5.581 1.00 53.32 C ATOM 313 O VAL A 31 -22.005 -2.494 5.517 1.00 21.13 O ATOM 314 CB VAL A 31 -18.972 -1.351 6.075 1.00 4.34 C ATOM 315 CG1 VAL A 31 -19.783 -0.225 5.453 1.00 42.21 C ATOM 316 CG2 VAL A 31 -18.062 -0.797 7.147 1.00 51.01 C ATOM 0 H VAL A 31 -18.127 -3.498 7.050 1.00 44.12 H new ATOM 0 HA VAL A 31 -20.449 -2.023 7.501 1.00 3.21 H new ATOM 0 HB VAL A 31 -18.366 -1.810 5.294 1.00 4.34 H new ATOM 0 HG11 VAL A 31 -19.108 0.530 5.050 1.00 42.21 H new ATOM 0 HG12 VAL A 31 -20.403 -0.624 4.650 1.00 42.21 H new ATOM 0 HG13 VAL A 31 -20.421 0.227 6.213 1.00 42.21 H new ATOM 0 HG21 VAL A 31 -17.420 -0.027 6.718 1.00 51.01 H new ATOM 0 HG22 VAL A 31 -18.663 -0.364 7.946 1.00 51.01 H new ATOM 0 HG23 VAL A 31 -17.445 -1.600 7.551 1.00 51.01 H new ATOM 326 N ILE A 32 -20.385 -3.849 4.763 1.00 35.53 N ATOM 327 CA ILE A 32 -21.163 -4.416 3.685 1.00 10.51 C ATOM 328 C ILE A 32 -22.448 -5.074 4.222 1.00 13.34 C ATOM 329 O ILE A 32 -23.555 -4.763 3.766 1.00 20.42 O ATOM 330 CB ILE A 32 -20.304 -5.430 2.918 1.00 50.32 C ATOM 331 CG1 ILE A 32 -19.151 -4.738 2.196 1.00 2.24 C ATOM 332 CG2 ILE A 32 -21.114 -6.242 1.957 1.00 5.33 C ATOM 333 CD1 ILE A 32 -19.604 -3.723 1.171 1.00 44.11 C ATOM 0 H ILE A 32 -19.440 -4.227 4.832 1.00 35.53 H new ATOM 0 HA ILE A 32 -21.465 -3.620 3.005 1.00 10.51 H new ATOM 0 HB ILE A 32 -19.889 -6.116 3.657 1.00 50.32 H new ATOM 0 HG12 ILE A 32 -18.518 -4.242 2.931 1.00 2.24 H new ATOM 0 HG13 ILE A 32 -18.537 -5.492 1.703 1.00 2.24 H new ATOM 0 HG21 ILE A 32 -20.464 -6.946 1.437 1.00 5.33 H new ATOM 0 HG22 ILE A 32 -21.882 -6.792 2.502 1.00 5.33 H new ATOM 0 HG23 ILE A 32 -21.587 -5.581 1.231 1.00 5.33 H new ATOM 0 HD11 ILE A 32 -18.733 -3.271 0.697 1.00 44.11 H new ATOM 0 HD12 ILE A 32 -20.213 -4.217 0.414 1.00 44.11 H new ATOM 0 HD13 ILE A 32 -20.193 -2.948 1.662 1.00 44.11 H new ATOM 345 N ASN A 33 -22.297 -5.942 5.205 1.00 53.10 N ATOM 346 CA ASN A 33 -23.439 -6.600 5.866 1.00 0.15 C ATOM 347 C ASN A 33 -24.448 -5.605 6.388 1.00 11.30 C ATOM 348 O ASN A 33 -25.650 -5.858 6.370 1.00 1.23 O ATOM 349 CB ASN A 33 -22.967 -7.478 7.013 1.00 14.14 C ATOM 350 CG ASN A 33 -22.401 -8.787 6.564 1.00 64.02 C ATOM 351 OD1 ASN A 33 -22.844 -9.359 5.591 1.00 21.35 O ATOM 352 ND2 ASN A 33 -21.400 -9.257 7.233 1.00 43.21 N ATOM 0 H ASN A 33 -21.388 -6.219 5.576 1.00 53.10 H new ATOM 0 HA ASN A 33 -23.924 -7.214 5.107 1.00 0.15 H new ATOM 0 HB2 ASN A 33 -22.211 -6.940 7.585 1.00 14.14 H new ATOM 0 HB3 ASN A 33 -23.804 -7.664 7.687 1.00 14.14 H new ATOM 0 HD21 ASN A 33 -20.961 -10.132 6.946 1.00 43.21 H new ATOM 0 HD22 ASN A 33 -21.049 -8.753 8.048 1.00 43.21 H new ATOM 359 N VAL A 34 -23.969 -4.476 6.831 1.00 4.00 N ATOM 360 CA VAL A 34 -24.838 -3.470 7.381 1.00 42.31 C ATOM 361 C VAL A 34 -25.502 -2.646 6.280 1.00 75.20 C ATOM 362 O VAL A 34 -26.715 -2.429 6.311 1.00 40.13 O ATOM 363 CB VAL A 34 -24.085 -2.530 8.361 1.00 4.11 C ATOM 364 CG1 VAL A 34 -25.028 -1.513 8.999 1.00 73.21 C ATOM 365 CG2 VAL A 34 -23.361 -3.330 9.425 1.00 53.15 C ATOM 0 H VAL A 34 -22.980 -4.228 6.822 1.00 4.00 H new ATOM 0 HA VAL A 34 -25.612 -3.997 7.939 1.00 42.31 H new ATOM 0 HB VAL A 34 -23.345 -1.977 7.782 1.00 4.11 H new ATOM 0 HG11 VAL A 34 -24.466 -0.872 9.679 1.00 73.21 H new ATOM 0 HG12 VAL A 34 -25.486 -0.903 8.220 1.00 73.21 H new ATOM 0 HG13 VAL A 34 -25.806 -2.037 9.554 1.00 73.21 H new ATOM 0 HG21 VAL A 34 -22.841 -2.651 10.100 1.00 53.15 H new ATOM 0 HG22 VAL A 34 -24.082 -3.921 9.990 1.00 53.15 H new ATOM 0 HG23 VAL A 34 -22.639 -3.995 8.952 1.00 53.15 H new ATOM 375 N MET A 35 -24.715 -2.231 5.294 1.00 55.22 N ATOM 376 CA MET A 35 -25.197 -1.334 4.261 1.00 20.13 C ATOM 377 C MET A 35 -26.239 -2.035 3.395 1.00 10.42 C ATOM 378 O MET A 35 -27.239 -1.434 3.022 1.00 2.52 O ATOM 379 CB MET A 35 -24.005 -0.855 3.406 1.00 64.23 C ATOM 380 CG MET A 35 -24.233 0.427 2.589 1.00 53.54 C ATOM 381 SD MET A 35 -25.512 0.351 1.325 1.00 22.34 S ATOM 382 CE MET A 35 -24.814 -0.858 0.218 1.00 11.24 C ATOM 0 H MET A 35 -23.738 -2.505 5.192 1.00 55.22 H new ATOM 0 HA MET A 35 -25.672 -0.469 4.723 1.00 20.13 H new ATOM 0 HB2 MET A 35 -23.152 -0.695 4.065 1.00 64.23 H new ATOM 0 HB3 MET A 35 -23.731 -1.656 2.719 1.00 64.23 H new ATOM 0 HG2 MET A 35 -24.482 1.233 3.279 1.00 53.54 H new ATOM 0 HG3 MET A 35 -23.293 0.698 2.108 1.00 53.54 H new ATOM 0 HE1 MET A 35 -24.690 -0.417 -0.771 1.00 11.24 H new ATOM 0 HE2 MET A 35 -23.844 -1.180 0.596 1.00 11.24 H new ATOM 0 HE3 MET A 35 -25.481 -1.718 0.151 1.00 11.24 H new ATOM 392 N LEU A 36 -26.045 -3.320 3.123 1.00 10.01 N ATOM 393 CA LEU A 36 -27.039 -4.035 2.370 1.00 54.32 C ATOM 394 C LEU A 36 -27.680 -5.147 3.160 1.00 20.02 C ATOM 395 O LEU A 36 -28.862 -5.035 3.512 1.00 41.22 O ATOM 396 CB LEU A 36 -26.613 -4.474 0.927 1.00 74.21 C ATOM 397 CG LEU A 36 -25.302 -5.264 0.736 1.00 50.55 C ATOM 398 CD1 LEU A 36 -25.290 -5.902 -0.638 1.00 55.35 C ATOM 399 CD2 LEU A 36 -24.116 -4.331 0.809 1.00 23.14 C ATOM 0 H LEU A 36 -25.231 -3.865 3.407 1.00 10.01 H new ATOM 0 HA LEU A 36 -27.811 -3.288 2.187 1.00 54.32 H new ATOM 0 HB2 LEU A 36 -27.422 -5.077 0.516 1.00 74.21 H new ATOM 0 HB3 LEU A 36 -26.545 -3.573 0.317 1.00 74.21 H new ATOM 0 HG LEU A 36 -25.241 -6.019 1.519 1.00 50.55 H new ATOM 0 HD11 LEU A 36 -24.363 -6.460 -0.772 1.00 55.35 H new ATOM 0 HD12 LEU A 36 -26.138 -6.580 -0.732 1.00 55.35 H new ATOM 0 HD13 LEU A 36 -25.360 -5.126 -1.400 1.00 55.35 H new ATOM 0 HD21 LEU A 36 -23.196 -4.900 0.673 1.00 23.14 H new ATOM 0 HD22 LEU A 36 -24.196 -3.578 0.025 1.00 23.14 H new ATOM 0 HD23 LEU A 36 -24.098 -3.840 1.782 1.00 23.14 H new ATOM 411 N ASP A 37 -26.910 -6.192 3.492 1.00 22.23 N ATOM 412 CA ASP A 37 -27.462 -7.373 4.192 1.00 3.44 C ATOM 413 C ASP A 37 -26.414 -8.468 4.344 1.00 42.34 C ATOM 414 O ASP A 37 -26.216 -9.010 5.441 1.00 0.35 O ATOM 415 CB ASP A 37 -28.684 -7.942 3.438 1.00 3.41 C ATOM 416 CG ASP A 37 -29.318 -9.124 4.127 1.00 52.14 C ATOM 417 OD1 ASP A 37 -29.953 -8.933 5.180 1.00 33.11 O ATOM 418 OD2 ASP A 37 -29.201 -10.255 3.622 1.00 73.22 O ATOM 0 H ASP A 37 -25.911 -6.250 3.292 1.00 22.23 H new ATOM 0 HA ASP A 37 -27.772 -7.041 5.183 1.00 3.44 H new ATOM 0 HB2 ASP A 37 -29.429 -7.155 3.324 1.00 3.41 H new ATOM 0 HB3 ASP A 37 -28.377 -8.238 2.435 1.00 3.41 H new ATOM 423 N ARG A 38 -25.742 -8.789 3.249 1.00 64.24 N ATOM 424 CA ARG A 38 -24.744 -9.865 3.230 1.00 11.14 C ATOM 425 C ARG A 38 -23.485 -9.362 2.581 1.00 23.03 C ATOM 426 O ARG A 38 -23.505 -8.340 1.897 1.00 44.23 O ATOM 427 CB ARG A 38 -25.242 -11.085 2.434 1.00 14.35 C ATOM 428 CG ARG A 38 -26.568 -11.645 2.895 1.00 1.41 C ATOM 429 CD ARG A 38 -26.514 -12.144 4.318 1.00 61.30 C ATOM 430 NE ARG A 38 -27.839 -12.535 4.782 1.00 13.43 N ATOM 431 CZ ARG A 38 -28.098 -13.444 5.721 1.00 5.23 C ATOM 432 NH1 ARG A 38 -27.107 -14.072 6.342 1.00 44.13 N ATOM 433 NH2 ARG A 38 -29.351 -13.713 6.043 1.00 34.13 N ATOM 0 H ARG A 38 -25.866 -8.320 2.352 1.00 64.24 H new ATOM 0 HA ARG A 38 -24.561 -10.168 4.261 1.00 11.14 H new ATOM 0 HB2 ARG A 38 -25.327 -10.806 1.384 1.00 14.35 H new ATOM 0 HB3 ARG A 38 -24.490 -11.872 2.495 1.00 14.35 H new ATOM 0 HG2 ARG A 38 -27.334 -10.874 2.811 1.00 1.41 H new ATOM 0 HG3 ARG A 38 -26.864 -12.462 2.237 1.00 1.41 H new ATOM 0 HD2 ARG A 38 -25.835 -12.994 4.384 1.00 61.30 H new ATOM 0 HD3 ARG A 38 -26.113 -11.365 4.966 1.00 61.30 H new ATOM 0 HE ARG A 38 -28.639 -12.072 4.350 1.00 13.43 H new ATOM 0 HH11 ARG A 38 -26.139 -13.860 6.101 1.00 44.13 H new ATOM 0 HH12 ARG A 38 -27.314 -14.767 7.060 1.00 44.13 H new ATOM 0 HH21 ARG A 38 -30.114 -13.226 5.573 1.00 34.13 H new ATOM 0 HH22 ARG A 38 -29.555 -14.408 6.761 1.00 34.13 H new ATOM 447 N THR A 39 -22.395 -10.066 2.794 1.00 53.34 N ATOM 448 CA THR A 39 -21.132 -9.688 2.223 1.00 14.55 C ATOM 449 C THR A 39 -20.776 -10.565 1.008 1.00 23.44 C ATOM 450 O THR A 39 -20.585 -11.772 1.150 1.00 40.23 O ATOM 451 CB THR A 39 -20.003 -9.815 3.267 1.00 34.42 C ATOM 452 OG1 THR A 39 -20.397 -9.159 4.454 1.00 65.22 O ATOM 453 CG2 THR A 39 -18.738 -9.146 2.779 1.00 44.12 C ATOM 0 H THR A 39 -22.364 -10.911 3.365 1.00 53.34 H new ATOM 0 HA THR A 39 -21.227 -8.651 1.900 1.00 14.55 H new ATOM 0 HB THR A 39 -19.816 -10.875 3.437 1.00 34.42 H new ATOM 0 HG1 THR A 39 -21.359 -9.283 4.592 1.00 65.22 H new ATOM 0 HG21 THR A 39 -17.958 -9.250 3.533 1.00 44.12 H new ATOM 0 HG22 THR A 39 -18.412 -9.617 1.852 1.00 44.12 H new ATOM 0 HG23 THR A 39 -18.932 -8.088 2.600 1.00 44.12 H new ATOM 461 N PRO A 40 -20.757 -9.976 -0.204 1.00 43.34 N ATOM 462 CA PRO A 40 -20.240 -10.633 -1.406 1.00 65.42 C ATOM 463 C PRO A 40 -18.729 -10.796 -1.282 1.00 54.52 C ATOM 464 O PRO A 40 -18.085 -10.026 -0.552 1.00 54.21 O ATOM 465 CB PRO A 40 -20.568 -9.640 -2.533 1.00 60.55 C ATOM 466 CG PRO A 40 -21.603 -8.757 -1.962 1.00 11.32 C ATOM 467 CD PRO A 40 -21.258 -8.636 -0.517 1.00 24.03 C ATOM 0 HA PRO A 40 -20.665 -11.622 -1.576 1.00 65.42 H new ATOM 0 HB2 PRO A 40 -19.686 -9.074 -2.832 1.00 60.55 H new ATOM 0 HB3 PRO A 40 -20.933 -10.155 -3.422 1.00 60.55 H new ATOM 0 HG2 PRO A 40 -21.602 -7.782 -2.450 1.00 11.32 H new ATOM 0 HG3 PRO A 40 -22.599 -9.180 -2.095 1.00 11.32 H new ATOM 0 HD2 PRO A 40 -20.504 -7.868 -0.342 1.00 24.03 H new ATOM 0 HD3 PRO A 40 -22.126 -8.374 0.088 1.00 24.03 H new ATOM 475 N GLU A 41 -18.183 -11.795 -1.941 1.00 41.15 N ATOM 476 CA GLU A 41 -16.748 -12.072 -1.889 1.00 24.24 C ATOM 477 C GLU A 41 -15.951 -10.838 -2.328 1.00 32.24 C ATOM 478 O GLU A 41 -16.239 -10.226 -3.363 1.00 53.15 O ATOM 479 CB GLU A 41 -16.404 -13.282 -2.761 1.00 44.22 C ATOM 480 CG GLU A 41 -14.934 -13.660 -2.737 1.00 44.42 C ATOM 481 CD GLU A 41 -14.635 -14.881 -3.554 1.00 42.31 C ATOM 482 OE1 GLU A 41 -14.823 -16.001 -3.053 1.00 62.33 O ATOM 483 OE2 GLU A 41 -14.193 -14.750 -4.710 1.00 53.02 O ATOM 0 H GLU A 41 -18.711 -12.441 -2.528 1.00 41.15 H new ATOM 0 HA GLU A 41 -16.475 -12.307 -0.860 1.00 24.24 H new ATOM 0 HB2 GLU A 41 -16.994 -14.136 -2.429 1.00 44.22 H new ATOM 0 HB3 GLU A 41 -16.698 -13.072 -3.789 1.00 44.22 H new ATOM 0 HG2 GLU A 41 -14.342 -12.824 -3.111 1.00 44.42 H new ATOM 0 HG3 GLU A 41 -14.625 -13.833 -1.706 1.00 44.42 H new ATOM 490 N ILE A 42 -14.968 -10.475 -1.541 1.00 62.23 N ATOM 491 CA ILE A 42 -14.205 -9.277 -1.792 1.00 32.50 C ATOM 492 C ILE A 42 -12.774 -9.647 -2.127 1.00 54.25 C ATOM 493 O ILE A 42 -12.193 -10.562 -1.530 1.00 74.13 O ATOM 494 CB ILE A 42 -14.182 -8.356 -0.536 1.00 0.45 C ATOM 495 CG1 ILE A 42 -15.597 -8.106 -0.017 1.00 11.32 C ATOM 496 CG2 ILE A 42 -13.511 -7.034 -0.869 1.00 23.45 C ATOM 497 CD1 ILE A 42 -15.660 -7.249 1.237 1.00 1.31 C ATOM 0 H ILE A 42 -14.676 -10.997 -0.715 1.00 62.23 H new ATOM 0 HA ILE A 42 -14.675 -8.749 -2.622 1.00 32.50 H new ATOM 0 HB ILE A 42 -13.613 -8.860 0.245 1.00 0.45 H new ATOM 0 HG12 ILE A 42 -16.180 -7.624 -0.802 1.00 11.32 H new ATOM 0 HG13 ILE A 42 -16.071 -9.066 0.188 1.00 11.32 H new ATOM 0 HG21 ILE A 42 -13.501 -6.398 0.016 1.00 23.45 H new ATOM 0 HG22 ILE A 42 -12.488 -7.218 -1.196 1.00 23.45 H new ATOM 0 HG23 ILE A 42 -14.063 -6.537 -1.667 1.00 23.45 H new ATOM 0 HD11 ILE A 42 -16.700 -7.120 1.538 1.00 1.31 H new ATOM 0 HD12 ILE A 42 -15.108 -7.737 2.040 1.00 1.31 H new ATOM 0 HD13 ILE A 42 -15.218 -6.274 1.034 1.00 1.31 H new ATOM 509 N VAL A 43 -12.227 -8.977 -3.082 1.00 30.34 N ATOM 510 CA VAL A 43 -10.842 -9.145 -3.432 1.00 75.52 C ATOM 511 C VAL A 43 -10.188 -7.776 -3.527 1.00 3.54 C ATOM 512 O VAL A 43 -10.842 -6.806 -3.896 1.00 60.22 O ATOM 513 CB VAL A 43 -10.667 -9.917 -4.781 1.00 63.43 C ATOM 514 CG1 VAL A 43 -11.290 -9.156 -5.943 1.00 20.45 C ATOM 515 CG2 VAL A 43 -9.197 -10.216 -5.054 1.00 73.11 C ATOM 0 H VAL A 43 -12.723 -8.291 -3.651 1.00 30.34 H new ATOM 0 HA VAL A 43 -10.363 -9.742 -2.656 1.00 75.52 H new ATOM 0 HB VAL A 43 -11.194 -10.866 -4.686 1.00 63.43 H new ATOM 0 HG11 VAL A 43 -11.150 -9.721 -6.865 1.00 20.45 H new ATOM 0 HG12 VAL A 43 -12.356 -9.020 -5.759 1.00 20.45 H new ATOM 0 HG13 VAL A 43 -10.811 -8.182 -6.038 1.00 20.45 H new ATOM 0 HG21 VAL A 43 -9.104 -10.753 -5.998 1.00 73.11 H new ATOM 0 HG22 VAL A 43 -8.640 -9.281 -5.113 1.00 73.11 H new ATOM 0 HG23 VAL A 43 -8.794 -10.828 -4.247 1.00 73.11 H new ATOM 525 N SER A 44 -8.945 -7.685 -3.166 1.00 52.04 N ATOM 526 CA SER A 44 -8.216 -6.471 -3.347 1.00 15.51 C ATOM 527 C SER A 44 -7.838 -6.378 -4.835 1.00 3.33 C ATOM 528 O SER A 44 -7.407 -7.370 -5.430 1.00 14.13 O ATOM 529 CB SER A 44 -6.972 -6.493 -2.462 1.00 4.51 C ATOM 530 OG SER A 44 -7.332 -6.608 -1.080 1.00 72.24 O ATOM 0 H SER A 44 -8.412 -8.444 -2.741 1.00 52.04 H new ATOM 0 HA SER A 44 -8.810 -5.602 -3.065 1.00 15.51 H new ATOM 0 HB2 SER A 44 -6.333 -7.329 -2.747 1.00 4.51 H new ATOM 0 HB3 SER A 44 -6.394 -5.582 -2.617 1.00 4.51 H new ATOM 0 HG SER A 44 -6.521 -6.622 -0.531 1.00 72.24 H new ATOM 536 N ALA A 45 -8.041 -5.234 -5.428 1.00 20.24 N ATOM 537 CA ALA A 45 -7.769 -5.035 -6.840 1.00 45.23 C ATOM 538 C ALA A 45 -7.134 -3.686 -7.103 1.00 4.24 C ATOM 539 O ALA A 45 -7.224 -2.773 -6.287 1.00 45.55 O ATOM 540 CB ALA A 45 -9.042 -5.167 -7.638 1.00 2.24 C ATOM 0 H ALA A 45 -8.400 -4.407 -4.952 1.00 20.24 H new ATOM 0 HA ALA A 45 -7.062 -5.804 -7.152 1.00 45.23 H new ATOM 0 HB1 ALA A 45 -8.826 -5.016 -8.696 1.00 2.24 H new ATOM 0 HB2 ALA A 45 -9.461 -6.162 -7.492 1.00 2.24 H new ATOM 0 HB3 ALA A 45 -9.760 -4.418 -7.304 1.00 2.24 H new ATOM 546 N THR A 46 -6.494 -3.583 -8.229 1.00 64.34 N ATOM 547 CA THR A 46 -5.840 -2.379 -8.657 1.00 10.22 C ATOM 548 C THR A 46 -6.570 -1.758 -9.838 1.00 40.24 C ATOM 549 O THR A 46 -6.801 -2.420 -10.847 1.00 5.41 O ATOM 550 CB THR A 46 -4.385 -2.672 -9.078 1.00 54.12 C ATOM 551 OG1 THR A 46 -3.682 -3.218 -7.973 1.00 62.13 O ATOM 552 CG2 THR A 46 -3.677 -1.401 -9.540 1.00 52.44 C ATOM 0 H THR A 46 -6.409 -4.352 -8.893 1.00 64.34 H new ATOM 0 HA THR A 46 -5.848 -1.685 -7.817 1.00 10.22 H new ATOM 0 HB THR A 46 -4.403 -3.379 -9.908 1.00 54.12 H new ATOM 0 HG1 THR A 46 -3.573 -4.184 -8.099 1.00 62.13 H new ATOM 0 HG21 THR A 46 -2.654 -1.639 -9.830 1.00 52.44 H new ATOM 0 HG22 THR A 46 -4.207 -0.979 -10.394 1.00 52.44 H new ATOM 0 HG23 THR A 46 -3.664 -0.676 -8.726 1.00 52.44 H new ATOM 560 N LEU A 47 -6.930 -0.513 -9.688 1.00 42.30 N ATOM 561 CA LEU A 47 -7.539 0.264 -10.725 1.00 15.21 C ATOM 562 C LEU A 47 -6.497 1.201 -11.332 1.00 32.01 C ATOM 563 O LEU A 47 -6.114 2.195 -10.710 1.00 22.53 O ATOM 564 CB LEU A 47 -8.720 1.063 -10.154 1.00 33.30 C ATOM 565 CG LEU A 47 -9.393 2.061 -11.093 1.00 55.11 C ATOM 566 CD1 LEU A 47 -9.867 1.381 -12.354 1.00 61.13 C ATOM 567 CD2 LEU A 47 -10.552 2.753 -10.397 1.00 54.12 C ATOM 0 H LEU A 47 -6.803 0.000 -8.816 1.00 42.30 H new ATOM 0 HA LEU A 47 -7.917 -0.396 -11.505 1.00 15.21 H new ATOM 0 HB2 LEU A 47 -9.475 0.355 -9.812 1.00 33.30 H new ATOM 0 HB3 LEU A 47 -8.370 1.605 -9.276 1.00 33.30 H new ATOM 0 HG LEU A 47 -8.655 2.814 -11.369 1.00 55.11 H new ATOM 0 HD11 LEU A 47 -10.343 2.114 -13.006 1.00 61.13 H new ATOM 0 HD12 LEU A 47 -9.016 0.936 -12.869 1.00 61.13 H new ATOM 0 HD13 LEU A 47 -10.585 0.602 -12.099 1.00 61.13 H new ATOM 0 HD21 LEU A 47 -11.018 3.460 -11.083 1.00 54.12 H new ATOM 0 HD22 LEU A 47 -11.287 2.010 -10.087 1.00 54.12 H new ATOM 0 HD23 LEU A 47 -10.184 3.286 -9.521 1.00 54.12 H new ATOM 579 N PRO A 48 -5.989 0.874 -12.521 1.00 21.34 N ATOM 580 CA PRO A 48 -5.012 1.701 -13.198 1.00 64.34 C ATOM 581 C PRO A 48 -5.678 2.857 -13.949 1.00 12.41 C ATOM 582 O PRO A 48 -6.777 2.706 -14.514 1.00 45.22 O ATOM 583 CB PRO A 48 -4.345 0.731 -14.174 1.00 1.30 C ATOM 584 CG PRO A 48 -5.390 -0.288 -14.486 1.00 70.34 C ATOM 585 CD PRO A 48 -6.319 -0.342 -13.297 1.00 63.45 C ATOM 0 HA PRO A 48 -4.310 2.170 -12.509 1.00 64.34 H new ATOM 0 HB2 PRO A 48 -4.014 1.245 -15.076 1.00 1.30 H new ATOM 0 HB3 PRO A 48 -3.464 0.268 -13.729 1.00 1.30 H new ATOM 0 HG2 PRO A 48 -5.935 -0.017 -15.390 1.00 70.34 H new ATOM 0 HG3 PRO A 48 -4.937 -1.263 -14.667 1.00 70.34 H new ATOM 0 HD2 PRO A 48 -7.364 -0.344 -13.608 1.00 63.45 H new ATOM 0 HD3 PRO A 48 -6.160 -1.245 -12.708 1.00 63.45 H new ATOM 593 N GLY A 49 -5.035 3.996 -13.934 1.00 63.25 N ATOM 594 CA GLY A 49 -5.541 5.152 -14.624 1.00 4.51 C ATOM 595 C GLY A 49 -6.349 6.057 -13.726 1.00 3.33 C ATOM 596 O GLY A 49 -6.929 7.040 -14.183 1.00 61.21 O ATOM 0 H GLY A 49 -4.152 4.147 -13.446 1.00 63.25 H new ATOM 0 HA2 GLY A 49 -4.707 5.714 -15.044 1.00 4.51 H new ATOM 0 HA3 GLY A 49 -6.161 4.829 -15.460 1.00 4.51 H new ATOM 600 N PHE A 50 -6.388 5.754 -12.455 1.00 23.13 N ATOM 601 CA PHE A 50 -7.159 6.547 -11.514 1.00 60.04 C ATOM 602 C PHE A 50 -6.416 6.661 -10.221 1.00 23.32 C ATOM 603 O PHE A 50 -5.581 5.830 -9.926 1.00 1.13 O ATOM 604 CB PHE A 50 -8.558 5.934 -11.264 1.00 65.31 C ATOM 605 CG PHE A 50 -9.492 5.956 -12.458 1.00 65.12 C ATOM 606 CD1 PHE A 50 -9.497 4.925 -13.385 1.00 14.24 C ATOM 607 CD2 PHE A 50 -10.361 7.016 -12.643 1.00 24.33 C ATOM 608 CE1 PHE A 50 -10.350 4.957 -14.471 1.00 61.10 C ATOM 609 CE2 PHE A 50 -11.216 7.054 -13.726 1.00 74.14 C ATOM 610 CZ PHE A 50 -11.211 6.025 -14.641 1.00 53.34 C ATOM 0 H PHE A 50 -5.896 4.963 -12.040 1.00 23.13 H new ATOM 0 HA PHE A 50 -7.301 7.537 -11.946 1.00 60.04 H new ATOM 0 HB2 PHE A 50 -8.432 4.901 -10.940 1.00 65.31 H new ATOM 0 HB3 PHE A 50 -9.031 6.471 -10.442 1.00 65.31 H new ATOM 0 HD1 PHE A 50 -8.827 4.088 -13.257 1.00 14.24 H new ATOM 0 HD2 PHE A 50 -10.371 7.826 -11.929 1.00 24.33 H new ATOM 0 HE1 PHE A 50 -10.344 4.148 -15.187 1.00 61.10 H new ATOM 0 HE2 PHE A 50 -11.888 7.890 -13.856 1.00 74.14 H new ATOM 0 HZ PHE A 50 -11.878 6.052 -15.490 1.00 53.34 H new ATOM 620 N GLN A 51 -6.701 7.688 -9.469 1.00 15.21 N ATOM 621 CA GLN A 51 -6.098 7.867 -8.175 1.00 3.21 C ATOM 622 C GLN A 51 -7.119 8.399 -7.208 1.00 5.22 C ATOM 623 O GLN A 51 -8.040 9.122 -7.603 1.00 13.53 O ATOM 624 CB GLN A 51 -4.854 8.769 -8.244 1.00 22.11 C ATOM 625 CG GLN A 51 -4.153 9.024 -6.894 1.00 72.14 C ATOM 626 CD GLN A 51 -3.711 7.746 -6.149 1.00 13.11 C ATOM 627 OE1 GLN A 51 -4.338 6.703 -6.233 1.00 71.10 O ATOM 628 NE2 GLN A 51 -2.614 7.822 -5.446 1.00 42.23 N ATOM 0 H GLN A 51 -7.356 8.424 -9.734 1.00 15.21 H new ATOM 0 HA GLN A 51 -5.754 6.897 -7.817 1.00 3.21 H new ATOM 0 HB2 GLN A 51 -4.136 8.319 -8.929 1.00 22.11 H new ATOM 0 HB3 GLN A 51 -5.144 9.729 -8.672 1.00 22.11 H new ATOM 0 HG2 GLN A 51 -3.277 9.650 -7.067 1.00 72.14 H new ATOM 0 HG3 GLN A 51 -4.827 9.589 -6.250 1.00 72.14 H new ATOM 0 HE21 GLN A 51 -2.105 8.704 -5.389 1.00 42.23 H new ATOM 0 HE22 GLN A 51 -2.266 6.999 -4.954 1.00 42.23 H new ATOM 637 N ARG A 52 -6.991 8.004 -5.956 1.00 24.31 N ATOM 638 CA ARG A 52 -7.902 8.447 -4.953 1.00 62.04 C ATOM 639 C ARG A 52 -7.301 9.558 -4.116 1.00 55.34 C ATOM 640 O ARG A 52 -6.165 9.453 -3.606 1.00 52.13 O ATOM 641 CB ARG A 52 -8.432 7.287 -4.066 1.00 21.03 C ATOM 642 CG ARG A 52 -7.401 6.549 -3.207 1.00 13.22 C ATOM 643 CD ARG A 52 -8.085 5.441 -2.398 1.00 2.01 C ATOM 644 NE ARG A 52 -7.166 4.727 -1.491 1.00 60.02 N ATOM 645 CZ ARG A 52 -7.530 3.689 -0.697 1.00 2.32 C ATOM 646 NH1 ARG A 52 -8.788 3.263 -0.679 1.00 20.25 N ATOM 647 NH2 ARG A 52 -6.629 3.101 0.088 1.00 43.24 N ATOM 0 H ARG A 52 -6.260 7.376 -5.622 1.00 24.31 H new ATOM 0 HA ARG A 52 -8.768 8.851 -5.477 1.00 62.04 H new ATOM 0 HB2 ARG A 52 -9.200 7.688 -3.405 1.00 21.03 H new ATOM 0 HB3 ARG A 52 -8.918 6.558 -4.714 1.00 21.03 H new ATOM 0 HG2 ARG A 52 -6.626 6.120 -3.843 1.00 13.22 H new ATOM 0 HG3 ARG A 52 -6.908 7.250 -2.534 1.00 13.22 H new ATOM 0 HD2 ARG A 52 -8.896 5.876 -1.814 1.00 2.01 H new ATOM 0 HD3 ARG A 52 -8.535 4.725 -3.085 1.00 2.01 H new ATOM 0 HE ARG A 52 -6.194 5.034 -1.459 1.00 60.02 H new ATOM 0 HH11 ARG A 52 -9.489 3.717 -1.265 1.00 20.25 H new ATOM 0 HH12 ARG A 52 -9.053 2.482 -0.079 1.00 20.25 H new ATOM 0 HH21 ARG A 52 -5.664 3.431 0.093 1.00 43.24 H new ATOM 0 HH22 ARG A 52 -6.904 2.321 0.684 1.00 43.24 H new ATOM 661 N PHE A 53 -8.049 10.601 -3.981 1.00 54.32 N ATOM 662 CA PHE A 53 -7.676 11.733 -3.184 1.00 14.42 C ATOM 663 C PHE A 53 -8.525 11.719 -1.958 1.00 24.03 C ATOM 664 O PHE A 53 -9.600 11.179 -1.977 1.00 20.43 O ATOM 665 CB PHE A 53 -7.819 13.036 -3.969 1.00 25.50 C ATOM 666 CG PHE A 53 -6.741 13.239 -5.000 1.00 24.04 C ATOM 667 CD1 PHE A 53 -6.634 12.411 -6.106 1.00 62.54 C ATOM 668 CD2 PHE A 53 -5.819 14.252 -4.840 1.00 32.02 C ATOM 669 CE1 PHE A 53 -5.633 12.593 -7.032 1.00 23.21 C ATOM 670 CE2 PHE A 53 -4.811 14.445 -5.761 1.00 54.40 C ATOM 671 CZ PHE A 53 -4.718 13.614 -6.862 1.00 3.42 C ATOM 0 H PHE A 53 -8.960 10.697 -4.430 1.00 54.32 H new ATOM 0 HA PHE A 53 -6.625 11.672 -2.902 1.00 14.42 H new ATOM 0 HB2 PHE A 53 -8.790 13.048 -4.464 1.00 25.50 H new ATOM 0 HB3 PHE A 53 -7.806 13.874 -3.272 1.00 25.50 H new ATOM 0 HD1 PHE A 53 -7.347 11.611 -6.243 1.00 62.54 H new ATOM 0 HD2 PHE A 53 -5.887 14.903 -3.981 1.00 32.02 H new ATOM 0 HE1 PHE A 53 -5.563 11.940 -7.889 1.00 23.21 H new ATOM 0 HE2 PHE A 53 -4.096 15.243 -5.623 1.00 54.40 H new ATOM 0 HZ PHE A 53 -3.932 13.763 -7.587 1.00 3.42 H new ATOM 681 N ARG A 54 -8.052 12.278 -0.902 1.00 74.21 N ATOM 682 CA ARG A 54 -8.683 12.083 0.365 1.00 22.25 C ATOM 683 C ARG A 54 -8.715 13.290 1.244 1.00 64.13 C ATOM 684 O ARG A 54 -8.044 14.288 0.982 1.00 32.44 O ATOM 685 CB ARG A 54 -8.027 10.860 1.075 1.00 22.43 C ATOM 686 CG ARG A 54 -6.466 10.795 1.066 1.00 74.51 C ATOM 687 CD ARG A 54 -5.714 11.631 2.128 1.00 31.13 C ATOM 688 NE ARG A 54 -5.901 13.069 2.007 1.00 35.32 N ATOM 689 CZ ARG A 54 -5.484 13.990 2.885 1.00 64.31 C ATOM 690 NH1 ARG A 54 -4.696 13.658 3.899 1.00 1.55 N ATOM 691 NH2 ARG A 54 -5.839 15.251 2.714 1.00 34.11 N ATOM 0 H ARG A 54 -7.227 12.878 -0.885 1.00 74.21 H new ATOM 0 HA ARG A 54 -9.736 11.882 0.168 1.00 22.25 H new ATOM 0 HB2 ARG A 54 -8.362 10.850 2.112 1.00 22.43 H new ATOM 0 HB3 ARG A 54 -8.408 9.952 0.608 1.00 22.43 H new ATOM 0 HG2 ARG A 54 -6.171 9.753 1.187 1.00 74.51 H new ATOM 0 HG3 ARG A 54 -6.121 11.112 0.082 1.00 74.51 H new ATOM 0 HD2 ARG A 54 -6.042 11.317 3.119 1.00 31.13 H new ATOM 0 HD3 ARG A 54 -4.649 11.409 2.060 1.00 31.13 H new ATOM 0 HE ARG A 54 -6.394 13.405 1.180 1.00 35.32 H new ATOM 0 HH11 ARG A 54 -4.399 12.689 4.018 1.00 1.55 H new ATOM 0 HH12 ARG A 54 -4.387 14.371 4.559 1.00 1.55 H new ATOM 0 HH21 ARG A 54 -6.424 15.513 1.921 1.00 34.11 H new ATOM 0 HH22 ARG A 54 -5.528 15.963 3.375 1.00 34.11 H new ATOM 796 N TYR A 60 -14.108 12.243 0.813 1.00 63.45 N ATOM 797 CA TYR A 60 -13.783 10.844 0.919 1.00 15.24 C ATOM 798 C TYR A 60 -12.721 10.538 -0.105 1.00 4.12 C ATOM 799 O TYR A 60 -12.345 11.446 -0.841 1.00 51.31 O ATOM 800 CB TYR A 60 -15.066 10.034 0.635 1.00 75.35 C ATOM 801 CG TYR A 60 -16.226 10.388 1.540 1.00 62.23 C ATOM 802 CD1 TYR A 60 -16.416 9.736 2.749 1.00 21.12 C ATOM 803 CD2 TYR A 60 -17.131 11.386 1.181 1.00 33.01 C ATOM 804 CE1 TYR A 60 -17.473 10.062 3.576 1.00 60.15 C ATOM 805 CE2 TYR A 60 -18.187 11.717 2.003 1.00 62.44 C ATOM 806 CZ TYR A 60 -18.353 11.053 3.198 1.00 74.53 C ATOM 807 OH TYR A 60 -19.406 11.383 4.021 1.00 34.31 O ATOM 0 HA TYR A 60 -13.411 10.586 1.910 1.00 15.24 H new ATOM 0 HB2 TYR A 60 -15.364 10.195 -0.401 1.00 75.35 H new ATOM 0 HB3 TYR A 60 -14.845 8.972 0.742 1.00 75.35 H new ATOM 0 HD1 TYR A 60 -15.726 8.961 3.049 1.00 21.12 H new ATOM 0 HD2 TYR A 60 -17.003 11.908 0.244 1.00 33.01 H new ATOM 0 HE1 TYR A 60 -17.609 9.543 4.513 1.00 60.15 H new ATOM 0 HE2 TYR A 60 -18.880 12.492 1.712 1.00 62.44 H new ATOM 0 HH TYR A 60 -19.931 12.101 3.609 1.00 34.31 H new ATOM 817 N PRO A 61 -12.179 9.290 -0.168 1.00 73.43 N ATOM 818 CA PRO A 61 -11.222 8.927 -1.200 1.00 61.12 C ATOM 819 C PRO A 61 -11.876 8.941 -2.575 1.00 40.35 C ATOM 820 O PRO A 61 -12.463 7.961 -3.015 1.00 32.21 O ATOM 821 CB PRO A 61 -10.751 7.519 -0.821 1.00 72.52 C ATOM 822 CG PRO A 61 -11.185 7.341 0.592 1.00 23.12 C ATOM 823 CD PRO A 61 -12.419 8.169 0.755 1.00 73.53 C ATOM 0 HA PRO A 61 -10.391 9.630 -1.258 1.00 61.12 H new ATOM 0 HB2 PRO A 61 -11.196 6.765 -1.470 1.00 72.52 H new ATOM 0 HB3 PRO A 61 -9.669 7.424 -0.918 1.00 72.52 H new ATOM 0 HG2 PRO A 61 -11.388 6.292 0.808 1.00 23.12 H new ATOM 0 HG3 PRO A 61 -10.406 7.663 1.282 1.00 23.12 H new ATOM 0 HD2 PRO A 61 -13.318 7.612 0.491 1.00 73.53 H new ATOM 0 HD3 PRO A 61 -12.545 8.510 1.783 1.00 73.53 H new ATOM 831 N CYS A 62 -11.806 10.058 -3.204 1.00 51.44 N ATOM 832 CA CYS A 62 -12.448 10.283 -4.444 1.00 15.24 C ATOM 833 C CYS A 62 -11.609 9.758 -5.600 1.00 21.14 C ATOM 834 O CYS A 62 -10.419 10.058 -5.712 1.00 72.32 O ATOM 835 CB CYS A 62 -12.752 11.769 -4.576 1.00 63.53 C ATOM 836 SG CYS A 62 -11.317 12.832 -4.367 1.00 44.25 S ATOM 0 H CYS A 62 -11.284 10.864 -2.858 1.00 51.44 H new ATOM 0 HA CYS A 62 -13.388 9.732 -4.479 1.00 15.24 H new ATOM 0 HB2 CYS A 62 -13.188 11.954 -5.558 1.00 63.53 H new ATOM 0 HB3 CYS A 62 -13.504 12.042 -3.836 1.00 63.53 H new ATOM 0 HG CYS A 62 -11.349 13.783 -5.253 1.00 44.25 H new ATOM 842 N ILE A 63 -12.227 8.950 -6.429 1.00 55.41 N ATOM 843 CA ILE A 63 -11.559 8.358 -7.567 1.00 30.03 C ATOM 844 C ILE A 63 -11.591 9.317 -8.725 1.00 3.42 C ATOM 845 O ILE A 63 -12.655 9.594 -9.280 1.00 42.32 O ATOM 846 CB ILE A 63 -12.246 7.034 -8.004 1.00 44.21 C ATOM 847 CG1 ILE A 63 -12.255 6.021 -6.873 1.00 3.15 C ATOM 848 CG2 ILE A 63 -11.591 6.439 -9.247 1.00 54.43 C ATOM 849 CD1 ILE A 63 -10.877 5.610 -6.407 1.00 42.22 C ATOM 0 H ILE A 63 -13.207 8.684 -6.335 1.00 55.41 H new ATOM 0 HA ILE A 63 -10.532 8.141 -7.274 1.00 30.03 H new ATOM 0 HB ILE A 63 -13.278 7.279 -8.256 1.00 44.21 H new ATOM 0 HG12 ILE A 63 -12.804 6.439 -6.029 1.00 3.15 H new ATOM 0 HG13 ILE A 63 -12.798 5.133 -7.198 1.00 3.15 H new ATOM 0 HG21 ILE A 63 -12.100 5.515 -9.520 1.00 54.43 H new ATOM 0 HG22 ILE A 63 -11.662 7.149 -10.071 1.00 54.43 H new ATOM 0 HG23 ILE A 63 -10.542 6.228 -9.040 1.00 54.43 H new ATOM 0 HD11 ILE A 63 -10.968 4.885 -5.598 1.00 42.22 H new ATOM 0 HD12 ILE A 63 -10.331 5.161 -7.237 1.00 42.22 H new ATOM 0 HD13 ILE A 63 -10.337 6.487 -6.050 1.00 42.22 H new ATOM 861 N VAL A 64 -10.461 9.830 -9.073 1.00 51.44 N ATOM 862 CA VAL A 64 -10.356 10.701 -10.212 1.00 51.42 C ATOM 863 C VAL A 64 -9.336 10.150 -11.182 1.00 42.42 C ATOM 864 O VAL A 64 -8.349 9.527 -10.770 1.00 44.10 O ATOM 865 CB VAL A 64 -10.006 12.175 -9.843 1.00 32.12 C ATOM 866 CG1 VAL A 64 -11.106 12.799 -9.015 1.00 14.23 C ATOM 867 CG2 VAL A 64 -8.671 12.271 -9.123 1.00 10.43 C ATOM 0 H VAL A 64 -9.582 9.664 -8.584 1.00 51.44 H new ATOM 0 HA VAL A 64 -11.343 10.731 -10.674 1.00 51.42 H new ATOM 0 HB VAL A 64 -9.918 12.733 -10.775 1.00 32.12 H new ATOM 0 HG11 VAL A 64 -10.839 13.827 -8.770 1.00 14.23 H new ATOM 0 HG12 VAL A 64 -12.037 12.791 -9.582 1.00 14.23 H new ATOM 0 HG13 VAL A 64 -11.237 12.229 -8.095 1.00 14.23 H new ATOM 0 HG21 VAL A 64 -8.462 13.313 -8.882 1.00 10.43 H new ATOM 0 HG22 VAL A 64 -8.711 11.687 -8.203 1.00 10.43 H new ATOM 0 HG23 VAL A 64 -7.882 11.882 -9.766 1.00 10.43 H new ATOM 877 N PRO A 65 -9.584 10.306 -12.478 1.00 64.22 N ATOM 878 CA PRO A 65 -8.670 9.837 -13.511 1.00 4.32 C ATOM 879 C PRO A 65 -7.293 10.497 -13.428 1.00 11.42 C ATOM 880 O PRO A 65 -7.169 11.733 -13.392 1.00 13.23 O ATOM 881 CB PRO A 65 -9.373 10.210 -14.824 1.00 1.20 C ATOM 882 CG PRO A 65 -10.368 11.253 -14.442 1.00 4.01 C ATOM 883 CD PRO A 65 -10.791 10.927 -13.052 1.00 15.50 C ATOM 0 HA PRO A 65 -8.472 8.770 -13.413 1.00 4.32 H new ATOM 0 HB2 PRO A 65 -8.663 10.591 -15.558 1.00 1.20 H new ATOM 0 HB3 PRO A 65 -9.860 9.344 -15.271 1.00 1.20 H new ATOM 0 HG2 PRO A 65 -9.928 12.249 -14.493 1.00 4.01 H new ATOM 0 HG3 PRO A 65 -11.221 11.246 -15.121 1.00 4.01 H new ATOM 0 HD2 PRO A 65 -11.088 11.819 -12.500 1.00 15.50 H new ATOM 0 HD3 PRO A 65 -11.642 10.246 -13.038 1.00 15.50 H new ATOM 891 N SER A 66 -6.288 9.669 -13.361 1.00 25.42 N ATOM 892 CA SER A 66 -4.920 10.083 -13.354 1.00 34.43 C ATOM 893 C SER A 66 -4.258 9.355 -14.492 1.00 60.14 C ATOM 894 O SER A 66 -4.293 8.123 -14.524 1.00 44.34 O ATOM 895 CB SER A 66 -4.250 9.696 -12.027 1.00 43.35 C ATOM 896 OG SER A 66 -2.909 10.170 -11.959 1.00 22.11 O ATOM 0 H SER A 66 -6.406 8.657 -13.308 1.00 25.42 H new ATOM 0 HA SER A 66 -4.835 11.164 -13.462 1.00 34.43 H new ATOM 0 HB2 SER A 66 -4.824 10.106 -11.196 1.00 43.35 H new ATOM 0 HB3 SER A 66 -4.259 8.612 -11.917 1.00 43.35 H new ATOM 0 HG SER A 66 -2.513 9.908 -11.102 1.00 22.11 H new ATOM 902 N GLU A 67 -3.669 10.085 -15.422 1.00 35.33 N ATOM 903 CA GLU A 67 -3.066 9.467 -16.604 1.00 31.23 C ATOM 904 C GLU A 67 -2.000 8.446 -16.236 1.00 70.14 C ATOM 905 O GLU A 67 -1.793 7.464 -16.957 1.00 60.31 O ATOM 906 CB GLU A 67 -2.561 10.513 -17.575 1.00 60.24 C ATOM 907 CG GLU A 67 -3.666 11.436 -18.033 1.00 3.43 C ATOM 908 CD GLU A 67 -3.231 12.437 -19.062 1.00 70.45 C ATOM 909 OE1 GLU A 67 -2.690 13.498 -18.682 1.00 32.21 O ATOM 910 OE2 GLU A 67 -3.442 12.196 -20.252 1.00 14.20 O ATOM 0 H GLU A 67 -3.592 11.102 -15.388 1.00 35.33 H new ATOM 0 HA GLU A 67 -3.850 8.910 -17.118 1.00 31.23 H new ATOM 0 HB2 GLU A 67 -1.772 11.098 -17.101 1.00 60.24 H new ATOM 0 HB3 GLU A 67 -2.117 10.021 -18.440 1.00 60.24 H new ATOM 0 HG2 GLU A 67 -4.480 10.838 -18.443 1.00 3.43 H new ATOM 0 HG3 GLU A 67 -4.065 11.967 -17.169 1.00 3.43 H new ATOM 917 N LYS A 68 -1.330 8.679 -15.118 1.00 11.11 N ATOM 918 CA LYS A 68 -0.425 7.715 -14.551 1.00 74.20 C ATOM 919 C LYS A 68 -0.607 7.616 -13.045 1.00 74.20 C ATOM 920 O LYS A 68 0.123 8.227 -12.266 1.00 62.11 O ATOM 921 CB LYS A 68 1.043 7.934 -14.938 1.00 31.44 C ATOM 922 CG LYS A 68 1.312 7.709 -16.414 1.00 14.21 C ATOM 923 CD LYS A 68 2.776 7.816 -16.763 1.00 24.33 C ATOM 924 CE LYS A 68 3.329 9.209 -16.521 1.00 75.23 C ATOM 925 NZ LYS A 68 4.739 9.313 -16.949 1.00 55.15 N ATOM 0 H LYS A 68 -1.405 9.545 -14.584 1.00 11.11 H new ATOM 0 HA LYS A 68 -0.692 6.755 -14.993 1.00 74.20 H new ATOM 0 HB2 LYS A 68 1.334 8.950 -14.673 1.00 31.44 H new ATOM 0 HB3 LYS A 68 1.670 7.260 -14.354 1.00 31.44 H new ATOM 0 HG2 LYS A 68 0.946 6.723 -16.699 1.00 14.21 H new ATOM 0 HG3 LYS A 68 0.750 8.439 -16.997 1.00 14.21 H new ATOM 0 HD2 LYS A 68 3.341 7.096 -16.171 1.00 24.33 H new ATOM 0 HD3 LYS A 68 2.917 7.549 -17.810 1.00 24.33 H new ATOM 0 HE2 LYS A 68 2.728 9.939 -17.063 1.00 75.23 H new ATOM 0 HE3 LYS A 68 3.250 9.454 -15.462 1.00 75.23 H new ATOM 0 HZ1 LYS A 68 5.086 10.277 -16.770 1.00 55.15 H new ATOM 0 HZ2 LYS A 68 5.315 8.633 -16.414 1.00 55.15 H new ATOM 0 HZ3 LYS A 68 4.810 9.103 -17.965 1.00 55.15 H new ATOM 939 N GLY A 69 -1.648 6.931 -12.656 1.00 74.15 N ATOM 940 CA GLY A 69 -1.918 6.679 -11.269 1.00 41.05 C ATOM 941 C GLY A 69 -2.660 5.386 -11.136 1.00 64.03 C ATOM 942 O GLY A 69 -3.138 4.859 -12.142 1.00 74.04 O ATOM 0 H GLY A 69 -2.335 6.531 -13.296 1.00 74.15 H new ATOM 0 HA2 GLY A 69 -0.985 6.635 -10.707 1.00 41.05 H new ATOM 0 HA3 GLY A 69 -2.506 7.494 -10.847 1.00 41.05 H new ATOM 946 N GLU A 70 -2.761 4.864 -9.946 1.00 62.33 N ATOM 947 CA GLU A 70 -3.437 3.606 -9.730 1.00 55.11 C ATOM 948 C GLU A 70 -4.023 3.547 -8.318 1.00 4.15 C ATOM 949 O GLU A 70 -3.413 4.026 -7.362 1.00 2.35 O ATOM 950 CB GLU A 70 -2.466 2.441 -9.978 1.00 25.44 C ATOM 951 CG GLU A 70 -1.260 2.438 -9.039 1.00 24.22 C ATOM 952 CD GLU A 70 -0.239 1.379 -9.349 1.00 42.32 C ATOM 953 OE1 GLU A 70 -0.348 0.262 -8.825 1.00 4.54 O ATOM 954 OE2 GLU A 70 0.715 1.660 -10.094 1.00 62.40 O ATOM 0 H GLU A 70 -2.382 5.291 -9.101 1.00 62.33 H new ATOM 0 HA GLU A 70 -4.263 3.520 -10.436 1.00 55.11 H new ATOM 0 HB2 GLU A 70 -3.005 1.500 -9.866 1.00 25.44 H new ATOM 0 HB3 GLU A 70 -2.113 2.486 -11.008 1.00 25.44 H new ATOM 0 HG2 GLU A 70 -0.778 3.415 -9.082 1.00 24.22 H new ATOM 0 HG3 GLU A 70 -1.611 2.300 -8.016 1.00 24.22 H new ATOM 961 N VAL A 71 -5.199 2.978 -8.198 1.00 43.01 N ATOM 962 CA VAL A 71 -5.860 2.839 -6.912 1.00 1.45 C ATOM 963 C VAL A 71 -5.934 1.385 -6.556 1.00 61.34 C ATOM 964 O VAL A 71 -6.309 0.571 -7.367 1.00 0.21 O ATOM 965 CB VAL A 71 -7.318 3.398 -6.932 1.00 74.34 C ATOM 966 CG1 VAL A 71 -7.977 3.256 -5.567 1.00 4.10 C ATOM 967 CG2 VAL A 71 -7.331 4.833 -7.361 1.00 74.25 C ATOM 0 H VAL A 71 -5.727 2.598 -8.983 1.00 43.01 H new ATOM 0 HA VAL A 71 -5.279 3.407 -6.185 1.00 1.45 H new ATOM 0 HB VAL A 71 -7.887 2.811 -7.653 1.00 74.34 H new ATOM 0 HG11 VAL A 71 -8.991 3.653 -5.610 1.00 4.10 H new ATOM 0 HG12 VAL A 71 -8.011 2.203 -5.287 1.00 4.10 H new ATOM 0 HG13 VAL A 71 -7.401 3.810 -4.826 1.00 4.10 H new ATOM 0 HG21 VAL A 71 -8.357 5.201 -7.368 1.00 74.25 H new ATOM 0 HG22 VAL A 71 -6.737 5.426 -6.666 1.00 74.25 H new ATOM 0 HG23 VAL A 71 -6.909 4.917 -8.362 1.00 74.25 H new ATOM 977 N HIS A 72 -5.554 1.050 -5.367 1.00 52.42 N ATOM 978 CA HIS A 72 -5.693 -0.310 -4.923 1.00 31.43 C ATOM 979 C HIS A 72 -6.801 -0.338 -3.928 1.00 52.43 C ATOM 980 O HIS A 72 -6.712 0.285 -2.871 1.00 31.54 O ATOM 981 CB HIS A 72 -4.385 -0.869 -4.325 1.00 65.42 C ATOM 982 CG HIS A 72 -3.240 -0.930 -5.303 1.00 12.44 C ATOM 983 ND1 HIS A 72 -2.467 -2.049 -5.525 1.00 12.43 N ATOM 984 CD2 HIS A 72 -2.708 0.028 -6.079 1.00 44.41 C ATOM 985 CE1 HIS A 72 -1.519 -1.746 -6.383 1.00 43.21 C ATOM 986 NE2 HIS A 72 -1.651 -0.508 -6.724 1.00 3.55 N ATOM 0 H HIS A 72 -5.147 1.690 -4.685 1.00 52.42 H new ATOM 0 HA HIS A 72 -5.921 -0.953 -5.773 1.00 31.43 H new ATOM 0 HB2 HIS A 72 -4.092 -0.250 -3.477 1.00 65.42 H new ATOM 0 HB3 HIS A 72 -4.573 -1.871 -3.939 1.00 65.42 H new ATOM 0 HD1 HIS A 72 -2.608 -2.963 -5.094 1.00 12.43 H new ATOM 0 HD2 HIS A 72 -3.062 1.044 -6.170 1.00 44.41 H new ATOM 0 HE1 HIS A 72 -0.756 -2.421 -6.743 1.00 43.21 H new ATOM 0 HE2 HIS A 72 -1.049 -0.011 -7.380 1.00 3.55 H new ATOM 995 N GLY A 73 -7.830 -1.026 -4.269 1.00 5.53 N ATOM 996 CA GLY A 73 -8.989 -1.072 -3.454 1.00 54.24 C ATOM 997 C GLY A 73 -9.581 -2.433 -3.454 1.00 23.12 C ATOM 998 O GLY A 73 -8.864 -3.419 -3.575 1.00 33.15 O ATOM 0 H GLY A 73 -7.892 -1.576 -5.126 1.00 5.53 H new ATOM 0 HA2 GLY A 73 -8.734 -0.782 -2.435 1.00 54.24 H new ATOM 0 HA3 GLY A 73 -9.722 -0.352 -3.816 1.00 54.24 H new ATOM 1002 N LYS A 74 -10.875 -2.508 -3.338 1.00 34.33 N ATOM 1003 CA LYS A 74 -11.557 -3.784 -3.237 1.00 74.32 C ATOM 1004 C LYS A 74 -12.628 -3.947 -4.272 1.00 25.43 C ATOM 1005 O LYS A 74 -13.285 -2.992 -4.660 1.00 2.33 O ATOM 1006 CB LYS A 74 -12.184 -3.984 -1.844 1.00 71.20 C ATOM 1007 CG LYS A 74 -11.257 -4.441 -0.707 1.00 25.34 C ATOM 1008 CD LYS A 74 -10.047 -3.575 -0.543 1.00 45.33 C ATOM 1009 CE LYS A 74 -9.326 -3.845 0.753 1.00 52.21 C ATOM 1010 NZ LYS A 74 -8.870 -5.242 0.859 1.00 63.54 N ATOM 0 H LYS A 74 -11.492 -1.697 -3.310 1.00 34.33 H new ATOM 0 HA LYS A 74 -10.790 -4.539 -3.406 1.00 74.32 H new ATOM 0 HB2 LYS A 74 -12.645 -3.043 -1.544 1.00 71.20 H new ATOM 0 HB3 LYS A 74 -12.986 -4.716 -1.938 1.00 71.20 H new ATOM 0 HG2 LYS A 74 -11.818 -4.450 0.228 1.00 25.34 H new ATOM 0 HG3 LYS A 74 -10.938 -5.466 -0.898 1.00 25.34 H new ATOM 0 HD2 LYS A 74 -9.366 -3.743 -1.378 1.00 45.33 H new ATOM 0 HD3 LYS A 74 -10.344 -2.527 -0.580 1.00 45.33 H new ATOM 0 HE2 LYS A 74 -8.468 -3.178 0.834 1.00 52.21 H new ATOM 0 HE3 LYS A 74 -9.988 -3.617 1.589 1.00 52.21 H new ATOM 0 HZ1 LYS A 74 -8.266 -5.347 1.699 1.00 63.54 H new ATOM 0 HZ2 LYS A 74 -9.694 -5.871 0.945 1.00 63.54 H new ATOM 0 HZ3 LYS A 74 -8.328 -5.496 0.008 1.00 63.54 H new ATOM 1024 N VAL A 75 -12.776 -5.151 -4.707 1.00 2.23 N ATOM 1025 CA VAL A 75 -13.825 -5.554 -5.594 1.00 62.43 C ATOM 1026 C VAL A 75 -14.814 -6.454 -4.874 1.00 4.44 C ATOM 1027 O VAL A 75 -14.436 -7.478 -4.297 1.00 34.51 O ATOM 1028 CB VAL A 75 -13.278 -6.292 -6.841 1.00 40.23 C ATOM 1029 CG1 VAL A 75 -14.408 -6.964 -7.617 1.00 24.41 C ATOM 1030 CG2 VAL A 75 -12.533 -5.327 -7.736 1.00 43.33 C ATOM 0 H VAL A 75 -12.150 -5.913 -4.448 1.00 2.23 H new ATOM 0 HA VAL A 75 -14.327 -4.645 -5.927 1.00 62.43 H new ATOM 0 HB VAL A 75 -12.589 -7.066 -6.503 1.00 40.23 H new ATOM 0 HG11 VAL A 75 -13.998 -7.475 -8.488 1.00 24.41 H new ATOM 0 HG12 VAL A 75 -14.910 -7.687 -6.975 1.00 24.41 H new ATOM 0 HG13 VAL A 75 -15.124 -6.210 -7.943 1.00 24.41 H new ATOM 0 HG21 VAL A 75 -12.154 -5.859 -8.609 1.00 43.33 H new ATOM 0 HG22 VAL A 75 -13.208 -4.535 -8.059 1.00 43.33 H new ATOM 0 HG23 VAL A 75 -11.699 -4.891 -7.186 1.00 43.33 H new ATOM 1040 N LEU A 76 -16.059 -6.054 -4.921 1.00 64.10 N ATOM 1041 CA LEU A 76 -17.153 -6.797 -4.353 1.00 61.04 C ATOM 1042 C LEU A 76 -17.768 -7.623 -5.460 1.00 73.14 C ATOM 1043 O LEU A 76 -18.371 -7.068 -6.377 1.00 45.40 O ATOM 1044 CB LEU A 76 -18.231 -5.834 -3.834 1.00 42.41 C ATOM 1045 CG LEU A 76 -17.791 -4.765 -2.842 1.00 35.03 C ATOM 1046 CD1 LEU A 76 -18.977 -3.908 -2.440 1.00 72.41 C ATOM 1047 CD2 LEU A 76 -17.156 -5.392 -1.625 1.00 0.12 C ATOM 0 H LEU A 76 -16.346 -5.182 -5.366 1.00 64.10 H new ATOM 0 HA LEU A 76 -16.791 -7.417 -3.533 1.00 61.04 H new ATOM 0 HB2 LEU A 76 -18.679 -5.334 -4.693 1.00 42.41 H new ATOM 0 HB3 LEU A 76 -19.016 -6.427 -3.365 1.00 42.41 H new ATOM 0 HG LEU A 76 -17.046 -4.132 -3.324 1.00 35.03 H new ATOM 0 HD11 LEU A 76 -18.652 -3.147 -1.731 1.00 72.41 H new ATOM 0 HD12 LEU A 76 -19.394 -3.426 -3.324 1.00 72.41 H new ATOM 0 HD13 LEU A 76 -19.738 -4.535 -1.976 1.00 72.41 H new ATOM 0 HD21 LEU A 76 -16.850 -4.610 -0.931 1.00 0.12 H new ATOM 0 HD22 LEU A 76 -17.876 -6.049 -1.137 1.00 0.12 H new ATOM 0 HD23 LEU A 76 -16.283 -5.971 -1.927 1.00 0.12 H new ATOM 1059 N MET A 77 -17.596 -8.906 -5.411 1.00 1.43 N ATOM 1060 CA MET A 77 -18.158 -9.771 -6.431 1.00 25.55 C ATOM 1061 C MET A 77 -19.160 -10.724 -5.859 1.00 61.31 C ATOM 1062 O MET A 77 -19.005 -11.220 -4.749 1.00 32.13 O ATOM 1063 CB MET A 77 -17.088 -10.522 -7.223 1.00 63.43 C ATOM 1064 CG MET A 77 -16.136 -11.334 -6.384 1.00 65.32 C ATOM 1065 SD MET A 77 -14.992 -12.309 -7.383 1.00 55.25 S ATOM 1066 CE MET A 77 -14.290 -11.041 -8.429 1.00 12.42 C ATOM 0 H MET A 77 -17.073 -9.389 -4.681 1.00 1.43 H new ATOM 0 HA MET A 77 -18.674 -9.114 -7.131 1.00 25.55 H new ATOM 0 HB2 MET A 77 -17.581 -11.185 -7.934 1.00 63.43 H new ATOM 0 HB3 MET A 77 -16.514 -9.801 -7.805 1.00 63.43 H new ATOM 0 HG2 MET A 77 -15.569 -10.666 -5.735 1.00 65.32 H new ATOM 0 HG3 MET A 77 -16.706 -12.000 -5.736 1.00 65.32 H new ATOM 0 HE1 MET A 77 -13.296 -11.347 -8.755 1.00 12.42 H new ATOM 0 HE2 MET A 77 -14.928 -10.894 -9.300 1.00 12.42 H new ATOM 0 HE3 MET A 77 -14.218 -10.108 -7.871 1.00 12.42 H new ATOM 1076 N GLY A 78 -20.192 -10.965 -6.614 1.00 34.44 N ATOM 1077 CA GLY A 78 -21.233 -11.845 -6.172 1.00 4.45 C ATOM 1078 C GLY A 78 -22.423 -11.071 -5.668 1.00 55.33 C ATOM 1079 O GLY A 78 -23.293 -11.614 -4.985 1.00 22.55 O ATOM 0 H GLY A 78 -20.335 -10.563 -7.541 1.00 34.44 H new ATOM 0 HA2 GLY A 78 -21.539 -12.493 -6.994 1.00 4.45 H new ATOM 0 HA3 GLY A 78 -20.855 -12.492 -5.380 1.00 4.45 H new ATOM 1083 N VAL A 79 -22.457 -9.794 -5.993 1.00 40.14 N ATOM 1084 CA VAL A 79 -23.550 -8.938 -5.585 1.00 13.44 C ATOM 1085 C VAL A 79 -24.677 -9.050 -6.632 1.00 51.23 C ATOM 1086 O VAL A 79 -24.396 -9.172 -7.839 1.00 21.21 O ATOM 1087 CB VAL A 79 -23.064 -7.453 -5.410 1.00 23.12 C ATOM 1088 CG1 VAL A 79 -22.618 -6.825 -6.711 1.00 43.44 C ATOM 1089 CG2 VAL A 79 -24.100 -6.599 -4.729 1.00 3.22 C ATOM 0 H VAL A 79 -21.736 -9.326 -6.541 1.00 40.14 H new ATOM 0 HA VAL A 79 -23.931 -9.258 -4.615 1.00 13.44 H new ATOM 0 HB VAL A 79 -22.188 -7.501 -4.762 1.00 23.12 H new ATOM 0 HG11 VAL A 79 -22.294 -5.801 -6.528 1.00 43.44 H new ATOM 0 HG12 VAL A 79 -21.790 -7.399 -7.127 1.00 43.44 H new ATOM 0 HG13 VAL A 79 -23.448 -6.822 -7.417 1.00 43.44 H new ATOM 0 HG21 VAL A 79 -23.723 -5.581 -4.628 1.00 3.22 H new ATOM 0 HG22 VAL A 79 -25.013 -6.591 -5.324 1.00 3.22 H new ATOM 0 HG23 VAL A 79 -24.315 -7.006 -3.741 1.00 3.22 H new ATOM 1099 N THR A 80 -25.926 -9.043 -6.194 1.00 42.10 N ATOM 1100 CA THR A 80 -27.034 -9.217 -7.121 1.00 42.00 C ATOM 1101 C THR A 80 -27.408 -7.898 -7.805 1.00 71.31 C ATOM 1102 O THR A 80 -26.864 -6.845 -7.477 1.00 4.43 O ATOM 1103 CB THR A 80 -28.273 -9.840 -6.440 1.00 33.33 C ATOM 1104 OG1 THR A 80 -28.736 -8.996 -5.391 1.00 73.41 O ATOM 1105 CG2 THR A 80 -27.947 -11.208 -5.876 1.00 22.33 C ATOM 0 H THR A 80 -26.196 -8.921 -5.218 1.00 42.10 H new ATOM 0 HA THR A 80 -26.690 -9.915 -7.884 1.00 42.00 H new ATOM 0 HB THR A 80 -29.053 -9.945 -7.194 1.00 33.33 H new ATOM 0 HG1 THR A 80 -28.207 -9.159 -4.582 1.00 73.41 H new ATOM 0 HG21 THR A 80 -28.834 -11.627 -5.401 1.00 22.33 H new ATOM 0 HG22 THR A 80 -27.622 -11.866 -6.682 1.00 22.33 H new ATOM 0 HG23 THR A 80 -27.150 -11.117 -5.138 1.00 22.33 H new ATOM 1113 N SER A 81 -28.326 -7.965 -8.748 1.00 0.20 N ATOM 1114 CA SER A 81 -28.753 -6.810 -9.522 1.00 22.43 C ATOM 1115 C SER A 81 -29.385 -5.683 -8.665 1.00 52.01 C ATOM 1116 O SER A 81 -29.033 -4.512 -8.826 1.00 12.43 O ATOM 1117 CB SER A 81 -29.684 -7.274 -10.633 1.00 63.31 C ATOM 1118 OG SER A 81 -30.702 -8.114 -10.114 1.00 22.13 O ATOM 0 H SER A 81 -28.803 -8.830 -9.003 1.00 0.20 H new ATOM 0 HA SER A 81 -27.864 -6.354 -9.957 1.00 22.43 H new ATOM 0 HB2 SER A 81 -30.133 -6.410 -11.123 1.00 63.31 H new ATOM 0 HB3 SER A 81 -29.114 -7.810 -11.392 1.00 63.31 H new ATOM 0 HG SER A 81 -31.292 -8.401 -10.842 1.00 22.13 H new ATOM 1124 N ASP A 82 -30.278 -6.044 -7.738 1.00 43.51 N ATOM 1125 CA ASP A 82 -30.957 -5.042 -6.877 1.00 11.31 C ATOM 1126 C ASP A 82 -29.954 -4.312 -6.005 1.00 72.20 C ATOM 1127 O ASP A 82 -30.068 -3.123 -5.755 1.00 12.23 O ATOM 1128 CB ASP A 82 -32.021 -5.703 -5.984 1.00 64.32 C ATOM 1129 CG ASP A 82 -32.760 -4.697 -5.104 1.00 23.02 C ATOM 1130 OD1 ASP A 82 -33.719 -4.059 -5.592 1.00 14.42 O ATOM 1131 OD2 ASP A 82 -32.394 -4.530 -3.915 1.00 33.03 O ATOM 0 H ASP A 82 -30.553 -7.010 -7.558 1.00 43.51 H new ATOM 0 HA ASP A 82 -31.447 -4.327 -7.538 1.00 11.31 H new ATOM 0 HB2 ASP A 82 -32.741 -6.228 -6.612 1.00 64.32 H new ATOM 0 HB3 ASP A 82 -31.544 -6.452 -5.351 1.00 64.32 H new ATOM 1136 N GLU A 83 -28.978 -5.032 -5.570 1.00 71.55 N ATOM 1137 CA GLU A 83 -27.936 -4.505 -4.721 1.00 73.22 C ATOM 1138 C GLU A 83 -26.925 -3.715 -5.579 1.00 11.44 C ATOM 1139 O GLU A 83 -26.293 -2.778 -5.118 1.00 32.21 O ATOM 1140 CB GLU A 83 -27.287 -5.669 -4.026 1.00 32.15 C ATOM 1141 CG GLU A 83 -28.300 -6.549 -3.325 1.00 41.24 C ATOM 1142 CD GLU A 83 -27.702 -7.772 -2.717 1.00 21.10 C ATOM 1143 OE1 GLU A 83 -27.057 -8.572 -3.452 1.00 42.52 O ATOM 1144 OE2 GLU A 83 -27.868 -7.971 -1.517 1.00 40.11 O ATOM 0 H GLU A 83 -28.869 -6.022 -5.791 1.00 71.55 H new ATOM 0 HA GLU A 83 -28.336 -3.818 -3.975 1.00 73.22 H new ATOM 0 HB2 GLU A 83 -26.733 -6.263 -4.754 1.00 32.15 H new ATOM 0 HB3 GLU A 83 -26.564 -5.300 -3.299 1.00 32.15 H new ATOM 0 HG2 GLU A 83 -28.796 -5.970 -2.546 1.00 41.24 H new ATOM 0 HG3 GLU A 83 -29.068 -6.846 -4.039 1.00 41.24 H new ATOM 1151 N LEU A 84 -26.803 -4.108 -6.832 1.00 40.15 N ATOM 1152 CA LEU A 84 -25.955 -3.422 -7.800 1.00 40.23 C ATOM 1153 C LEU A 84 -26.536 -2.032 -8.104 1.00 54.31 C ATOM 1154 O LEU A 84 -25.796 -1.039 -8.209 1.00 75.21 O ATOM 1155 CB LEU A 84 -25.806 -4.321 -9.072 1.00 71.11 C ATOM 1156 CG LEU A 84 -24.989 -3.831 -10.305 1.00 42.34 C ATOM 1157 CD1 LEU A 84 -25.717 -2.790 -11.119 1.00 25.34 C ATOM 1158 CD2 LEU A 84 -23.612 -3.339 -9.908 1.00 63.32 C ATOM 0 H LEU A 84 -27.291 -4.918 -7.214 1.00 40.15 H new ATOM 0 HA LEU A 84 -24.955 -3.259 -7.398 1.00 40.23 H new ATOM 0 HB2 LEU A 84 -25.363 -5.263 -8.748 1.00 71.11 H new ATOM 0 HB3 LEU A 84 -26.813 -4.547 -9.424 1.00 71.11 H new ATOM 0 HG LEU A 84 -24.867 -4.704 -10.946 1.00 42.34 H new ATOM 0 HD11 LEU A 84 -25.097 -2.489 -11.963 1.00 25.34 H new ATOM 0 HD12 LEU A 84 -26.654 -3.207 -11.488 1.00 25.34 H new ATOM 0 HD13 LEU A 84 -25.927 -1.921 -10.495 1.00 25.34 H new ATOM 0 HD21 LEU A 84 -23.075 -3.006 -10.796 1.00 63.32 H new ATOM 0 HD22 LEU A 84 -23.710 -2.507 -9.210 1.00 63.32 H new ATOM 0 HD23 LEU A 84 -23.060 -4.149 -9.432 1.00 63.32 H new ATOM 1170 N GLU A 85 -27.851 -1.966 -8.245 1.00 10.44 N ATOM 1171 CA GLU A 85 -28.520 -0.695 -8.453 1.00 62.31 C ATOM 1172 C GLU A 85 -28.557 0.097 -7.133 1.00 13.32 C ATOM 1173 O GLU A 85 -28.530 1.320 -7.132 1.00 65.23 O ATOM 1174 CB GLU A 85 -29.914 -0.883 -9.087 1.00 44.02 C ATOM 1175 CG GLU A 85 -30.915 -1.627 -8.243 1.00 70.44 C ATOM 1176 CD GLU A 85 -32.194 -1.926 -8.984 1.00 4.11 C ATOM 1177 OE1 GLU A 85 -33.055 -1.031 -9.111 1.00 34.32 O ATOM 1178 OE2 GLU A 85 -32.368 -3.064 -9.434 1.00 51.15 O ATOM 0 H GLU A 85 -28.472 -2.775 -8.219 1.00 10.44 H new ATOM 0 HA GLU A 85 -27.951 -0.106 -9.172 1.00 62.31 H new ATOM 0 HB2 GLU A 85 -30.322 0.100 -9.322 1.00 44.02 H new ATOM 0 HB3 GLU A 85 -29.796 -1.414 -10.032 1.00 44.02 H new ATOM 0 HG2 GLU A 85 -30.472 -2.562 -7.900 1.00 70.44 H new ATOM 0 HG3 GLU A 85 -31.144 -1.038 -7.355 1.00 70.44 H new ATOM 1185 N ASN A 86 -28.584 -0.641 -6.013 1.00 61.52 N ATOM 1186 CA ASN A 86 -28.516 -0.070 -4.652 1.00 74.44 C ATOM 1187 C ASN A 86 -27.272 0.771 -4.499 1.00 21.42 C ATOM 1188 O ASN A 86 -27.325 1.893 -4.031 1.00 11.43 O ATOM 1189 CB ASN A 86 -28.474 -1.210 -3.626 1.00 51.33 C ATOM 1190 CG ASN A 86 -28.126 -0.780 -2.222 1.00 53.21 C ATOM 1191 OD1 ASN A 86 -26.973 -0.749 -1.861 1.00 70.35 O ATOM 1192 ND2 ASN A 86 -29.100 -0.469 -1.434 1.00 44.12 N ATOM 0 H ASN A 86 -28.654 -1.659 -6.022 1.00 61.52 H new ATOM 0 HA ASN A 86 -29.394 0.554 -4.487 1.00 74.44 H new ATOM 0 HB2 ASN A 86 -29.446 -1.703 -3.610 1.00 51.33 H new ATOM 0 HB3 ASN A 86 -27.746 -1.951 -3.956 1.00 51.33 H new ATOM 0 HD21 ASN A 86 -28.908 -0.186 -0.473 1.00 44.12 H new ATOM 0 HD22 ASN A 86 -30.062 -0.506 -1.772 1.00 44.12 H new ATOM 1199 N LEU A 87 -26.160 0.215 -4.925 1.00 3.12 N ATOM 1200 CA LEU A 87 -24.870 0.874 -4.841 1.00 21.24 C ATOM 1201 C LEU A 87 -24.866 2.175 -5.641 1.00 51.45 C ATOM 1202 O LEU A 87 -24.229 3.153 -5.255 1.00 14.41 O ATOM 1203 CB LEU A 87 -23.764 -0.063 -5.321 1.00 31.04 C ATOM 1204 CG LEU A 87 -23.590 -1.360 -4.528 1.00 31.35 C ATOM 1205 CD1 LEU A 87 -22.506 -2.221 -5.153 1.00 63.14 C ATOM 1206 CD2 LEU A 87 -23.255 -1.064 -3.068 1.00 1.51 C ATOM 0 H LEU A 87 -26.122 -0.715 -5.343 1.00 3.12 H new ATOM 0 HA LEU A 87 -24.681 1.126 -3.797 1.00 21.24 H new ATOM 0 HB2 LEU A 87 -23.960 -0.321 -6.362 1.00 31.04 H new ATOM 0 HB3 LEU A 87 -22.820 0.481 -5.300 1.00 31.04 H new ATOM 0 HG LEU A 87 -24.533 -1.906 -4.558 1.00 31.35 H new ATOM 0 HD11 LEU A 87 -22.394 -3.140 -4.577 1.00 63.14 H new ATOM 0 HD12 LEU A 87 -22.782 -2.466 -6.178 1.00 63.14 H new ATOM 0 HD13 LEU A 87 -21.562 -1.675 -5.152 1.00 63.14 H new ATOM 0 HD21 LEU A 87 -23.136 -2.001 -2.525 1.00 1.51 H new ATOM 0 HD22 LEU A 87 -22.327 -0.494 -3.016 1.00 1.51 H new ATOM 0 HD23 LEU A 87 -24.062 -0.485 -2.620 1.00 1.51 H new ATOM 1218 N ASP A 88 -25.599 2.182 -6.738 1.00 32.24 N ATOM 1219 CA ASP A 88 -25.729 3.376 -7.567 1.00 20.10 C ATOM 1220 C ASP A 88 -26.609 4.383 -6.869 1.00 45.31 C ATOM 1221 O ASP A 88 -26.373 5.575 -6.925 1.00 11.41 O ATOM 1222 CB ASP A 88 -26.317 3.029 -8.928 1.00 31.02 C ATOM 1223 CG ASP A 88 -26.539 4.241 -9.820 1.00 12.41 C ATOM 1224 OD1 ASP A 88 -25.604 4.661 -10.528 1.00 52.14 O ATOM 1225 OD2 ASP A 88 -27.671 4.769 -9.848 1.00 25.33 O ATOM 0 H ASP A 88 -26.117 1.373 -7.081 1.00 32.24 H new ATOM 0 HA ASP A 88 -24.738 3.802 -7.721 1.00 20.10 H new ATOM 0 HB2 ASP A 88 -25.651 2.331 -9.436 1.00 31.02 H new ATOM 0 HB3 ASP A 88 -27.267 2.515 -8.784 1.00 31.02 H new ATOM 1230 N ALA A 89 -27.612 3.889 -6.200 1.00 42.35 N ATOM 1231 CA ALA A 89 -28.520 4.719 -5.455 1.00 32.40 C ATOM 1232 C ALA A 89 -27.804 5.373 -4.270 1.00 13.03 C ATOM 1233 O ALA A 89 -27.924 6.579 -4.048 1.00 60.23 O ATOM 1234 CB ALA A 89 -29.691 3.881 -4.970 1.00 1.22 C ATOM 0 H ALA A 89 -27.825 2.893 -6.155 1.00 42.35 H new ATOM 0 HA ALA A 89 -28.891 5.512 -6.105 1.00 32.40 H new ATOM 0 HB1 ALA A 89 -30.379 4.510 -4.405 1.00 1.22 H new ATOM 0 HB2 ALA A 89 -30.211 3.452 -5.827 1.00 1.22 H new ATOM 0 HB3 ALA A 89 -29.324 3.079 -4.330 1.00 1.22 H new ATOM 1240 N VAL A 90 -27.057 4.578 -3.527 1.00 2.25 N ATOM 1241 CA VAL A 90 -26.361 5.059 -2.344 1.00 43.12 C ATOM 1242 C VAL A 90 -25.131 5.966 -2.681 1.00 52.21 C ATOM 1243 O VAL A 90 -25.088 7.126 -2.272 1.00 1.33 O ATOM 1244 CB VAL A 90 -25.994 3.881 -1.353 1.00 42.42 C ATOM 1245 CG1 VAL A 90 -25.053 2.871 -1.968 1.00 41.13 C ATOM 1246 CG2 VAL A 90 -25.456 4.400 -0.034 1.00 41.11 C ATOM 0 H VAL A 90 -26.915 3.587 -3.723 1.00 2.25 H new ATOM 0 HA VAL A 90 -27.064 5.705 -1.819 1.00 43.12 H new ATOM 0 HB VAL A 90 -26.928 3.357 -1.149 1.00 42.42 H new ATOM 0 HG11 VAL A 90 -24.837 2.087 -1.243 1.00 41.13 H new ATOM 0 HG12 VAL A 90 -25.518 2.431 -2.850 1.00 41.13 H new ATOM 0 HG13 VAL A 90 -24.125 3.366 -2.255 1.00 41.13 H new ATOM 0 HG21 VAL A 90 -25.216 3.559 0.617 1.00 41.11 H new ATOM 0 HG22 VAL A 90 -24.556 4.988 -0.214 1.00 41.11 H new ATOM 0 HG23 VAL A 90 -26.209 5.027 0.445 1.00 41.11 H new ATOM 1256 N GLU A 91 -24.184 5.460 -3.468 1.00 11.44 N ATOM 1257 CA GLU A 91 -22.959 6.218 -3.801 1.00 32.31 C ATOM 1258 C GLU A 91 -23.227 7.278 -4.866 1.00 44.04 C ATOM 1259 O GLU A 91 -22.511 8.276 -4.962 1.00 24.32 O ATOM 1260 CB GLU A 91 -21.842 5.272 -4.274 1.00 44.14 C ATOM 1261 CG GLU A 91 -21.362 4.278 -3.221 1.00 4.45 C ATOM 1262 CD GLU A 91 -20.645 4.936 -2.050 1.00 2.13 C ATOM 1263 OE1 GLU A 91 -21.303 5.591 -1.216 1.00 33.13 O ATOM 1264 OE2 GLU A 91 -19.397 4.805 -1.956 1.00 13.31 O ATOM 0 H GLU A 91 -24.232 4.533 -3.890 1.00 11.44 H new ATOM 0 HA GLU A 91 -22.635 6.723 -2.891 1.00 32.31 H new ATOM 0 HB2 GLU A 91 -22.197 4.718 -5.143 1.00 44.14 H new ATOM 0 HB3 GLU A 91 -20.993 5.870 -4.603 1.00 44.14 H new ATOM 0 HG2 GLU A 91 -22.218 3.717 -2.845 1.00 4.45 H new ATOM 0 HG3 GLU A 91 -20.691 3.559 -3.690 1.00 4.45 H new ATOM 1271 N GLY A 92 -24.282 7.064 -5.637 1.00 4.04 N ATOM 1272 CA GLY A 92 -24.636 7.930 -6.756 1.00 54.42 C ATOM 1273 C GLY A 92 -24.915 9.374 -6.391 1.00 33.23 C ATOM 1274 O GLY A 92 -24.922 10.237 -7.255 1.00 43.42 O ATOM 0 H GLY A 92 -24.922 6.281 -5.505 1.00 4.04 H new ATOM 0 HA2 GLY A 92 -23.825 7.906 -7.484 1.00 54.42 H new ATOM 0 HA3 GLY A 92 -25.518 7.519 -7.248 1.00 54.42 H new ATOM 1278 N ASN A 93 -25.164 9.644 -5.125 1.00 60.42 N ATOM 1279 CA ASN A 93 -25.413 11.019 -4.699 1.00 54.22 C ATOM 1280 C ASN A 93 -24.145 11.859 -4.778 1.00 14.35 C ATOM 1281 O ASN A 93 -24.184 13.019 -5.187 1.00 14.43 O ATOM 1282 CB ASN A 93 -26.046 11.108 -3.296 1.00 35.34 C ATOM 1283 CG ASN A 93 -27.515 10.681 -3.223 1.00 74.52 C ATOM 1284 OD1 ASN A 93 -27.938 9.775 -4.082 1.00 2.40 O flip ATOM 1285 ND2 ASN A 93 -28.268 11.186 -2.394 1.00 54.10 N flip ATOM 0 H ASN A 93 -25.201 8.948 -4.380 1.00 60.42 H new ATOM 0 HA ASN A 93 -26.143 11.428 -5.397 1.00 54.22 H new ATOM 0 HB2 ASN A 93 -25.468 10.486 -2.612 1.00 35.34 H new ATOM 0 HB3 ASN A 93 -25.963 12.135 -2.940 1.00 35.34 H new ATOM 0 HD21 ASN A 93 -27.913 11.885 -1.741 1.00 54.10 H new ATOM 0 HD22 ASN A 93 -29.248 10.906 -2.358 1.00 54.10 H new ATOM 1292 N GLU A 94 -23.021 11.267 -4.428 1.00 14.25 N ATOM 1293 CA GLU A 94 -21.747 11.980 -4.452 1.00 2.44 C ATOM 1294 C GLU A 94 -20.889 11.579 -5.666 1.00 43.50 C ATOM 1295 O GLU A 94 -20.088 12.375 -6.172 1.00 63.03 O ATOM 1296 CB GLU A 94 -20.942 11.732 -3.151 1.00 44.21 C ATOM 1297 CG GLU A 94 -21.517 12.333 -1.854 1.00 70.22 C ATOM 1298 CD GLU A 94 -22.897 11.834 -1.488 1.00 1.03 C ATOM 1299 OE1 GLU A 94 -23.048 10.641 -1.174 1.00 22.41 O ATOM 1300 OE2 GLU A 94 -23.847 12.632 -1.519 1.00 33.44 O ATOM 0 H GLU A 94 -22.957 10.296 -4.123 1.00 14.25 H new ATOM 0 HA GLU A 94 -21.985 13.041 -4.531 1.00 2.44 H new ATOM 0 HB2 GLU A 94 -20.844 10.655 -3.012 1.00 44.21 H new ATOM 0 HB3 GLU A 94 -19.937 12.128 -3.293 1.00 44.21 H new ATOM 0 HG2 GLU A 94 -20.835 12.112 -1.033 1.00 70.22 H new ATOM 0 HG3 GLU A 94 -21.552 13.418 -1.956 1.00 70.22 H new ATOM 1307 N TYR A 95 -21.075 10.359 -6.130 1.00 60.33 N ATOM 1308 CA TYR A 95 -20.267 9.772 -7.198 1.00 71.14 C ATOM 1309 C TYR A 95 -21.123 9.294 -8.348 1.00 54.15 C ATOM 1310 O TYR A 95 -22.341 9.276 -8.256 1.00 32.31 O ATOM 1311 CB TYR A 95 -19.444 8.605 -6.673 1.00 51.44 C ATOM 1312 CG TYR A 95 -18.427 8.979 -5.637 1.00 53.34 C ATOM 1313 CD1 TYR A 95 -18.772 9.083 -4.304 1.00 71.51 C ATOM 1314 CD2 TYR A 95 -17.121 9.218 -5.997 1.00 53.13 C ATOM 1315 CE1 TYR A 95 -17.836 9.416 -3.351 1.00 61.12 C ATOM 1316 CE2 TYR A 95 -16.174 9.552 -5.057 1.00 40.51 C ATOM 1317 CZ TYR A 95 -16.536 9.648 -3.731 1.00 1.11 C ATOM 1318 OH TYR A 95 -15.599 9.979 -2.784 1.00 33.05 O ATOM 0 H TYR A 95 -21.799 9.734 -5.776 1.00 60.33 H new ATOM 0 HA TYR A 95 -19.602 10.556 -7.560 1.00 71.14 H new ATOM 0 HB2 TYR A 95 -20.119 7.862 -6.249 1.00 51.44 H new ATOM 0 HB3 TYR A 95 -18.933 8.131 -7.511 1.00 51.44 H new ATOM 0 HD1 TYR A 95 -19.793 8.900 -4.004 1.00 71.51 H new ATOM 0 HD2 TYR A 95 -16.834 9.142 -7.035 1.00 53.13 H new ATOM 0 HE1 TYR A 95 -18.121 9.494 -2.312 1.00 61.12 H new ATOM 0 HE2 TYR A 95 -15.153 9.738 -5.356 1.00 40.51 H new ATOM 0 HH TYR A 95 -15.109 10.777 -3.074 1.00 33.05 H new ATOM 1328 N GLU A 96 -20.483 8.935 -9.437 1.00 71.25 N ATOM 1329 CA GLU A 96 -21.174 8.428 -10.604 1.00 0.04 C ATOM 1330 C GLU A 96 -20.616 7.047 -10.947 1.00 33.14 C ATOM 1331 O GLU A 96 -19.447 6.759 -10.653 1.00 63.11 O ATOM 1332 CB GLU A 96 -20.997 9.405 -11.776 1.00 71.13 C ATOM 1333 CG GLU A 96 -21.693 8.999 -13.059 1.00 54.22 C ATOM 1334 CD GLU A 96 -21.552 10.033 -14.134 1.00 32.05 C ATOM 1335 OE1 GLU A 96 -20.567 9.994 -14.897 1.00 75.42 O ATOM 1336 OE2 GLU A 96 -22.430 10.912 -14.235 1.00 33.24 O ATOM 0 H GLU A 96 -19.470 8.985 -9.541 1.00 71.25 H new ATOM 0 HA GLU A 96 -22.241 8.336 -10.402 1.00 0.04 H new ATOM 0 HB2 GLU A 96 -21.369 10.384 -11.473 1.00 71.13 H new ATOM 0 HB3 GLU A 96 -19.932 9.517 -11.978 1.00 71.13 H new ATOM 0 HG2 GLU A 96 -21.279 8.054 -13.411 1.00 54.22 H new ATOM 0 HG3 GLU A 96 -22.751 8.829 -12.858 1.00 54.22 H new ATOM 1343 N ARG A 97 -21.438 6.200 -11.557 1.00 75.34 N ATOM 1344 CA ARG A 97 -21.032 4.833 -11.847 1.00 41.15 C ATOM 1345 C ARG A 97 -20.313 4.809 -13.180 1.00 62.33 C ATOM 1346 O ARG A 97 -20.885 5.176 -14.206 1.00 45.35 O ATOM 1347 CB ARG A 97 -22.246 3.895 -11.976 1.00 61.13 C ATOM 1348 CG ARG A 97 -21.868 2.418 -11.849 1.00 64.33 C ATOM 1349 CD ARG A 97 -22.881 1.456 -12.483 1.00 34.30 C ATOM 1350 NE ARG A 97 -24.291 1.734 -12.174 1.00 51.21 N ATOM 1351 CZ ARG A 97 -25.075 0.978 -11.400 1.00 74.22 C ATOM 1352 NH1 ARG A 97 -24.538 0.193 -10.468 1.00 52.34 N ATOM 1353 NH2 ARG A 97 -26.402 1.083 -11.493 1.00 43.31 N ATOM 0 H ARG A 97 -22.384 6.436 -11.858 1.00 75.34 H new ATOM 0 HA ARG A 97 -20.397 4.496 -11.028 1.00 41.15 H new ATOM 0 HB2 ARG A 97 -22.977 4.146 -11.207 1.00 61.13 H new ATOM 0 HB3 ARG A 97 -22.727 4.061 -12.940 1.00 61.13 H new ATOM 0 HG2 ARG A 97 -20.895 2.262 -12.314 1.00 64.33 H new ATOM 0 HG3 ARG A 97 -21.760 2.171 -10.793 1.00 64.33 H new ATOM 0 HD2 ARG A 97 -22.752 1.480 -13.565 1.00 34.30 H new ATOM 0 HD3 ARG A 97 -22.648 0.442 -12.157 1.00 34.30 H new ATOM 0 HE ARG A 97 -24.704 2.572 -12.584 1.00 51.21 H new ATOM 0 HH11 ARG A 97 -23.526 0.168 -10.344 1.00 52.34 H new ATOM 0 HH12 ARG A 97 -25.139 -0.383 -9.878 1.00 52.34 H new ATOM 0 HH21 ARG A 97 -26.817 1.740 -12.154 1.00 43.31 H new ATOM 0 HH22 ARG A 97 -27.002 0.507 -10.903 1.00 43.31 H new ATOM 1367 N VAL A 98 -19.085 4.396 -13.176 1.00 65.45 N ATOM 1368 CA VAL A 98 -18.322 4.284 -14.396 1.00 11.22 C ATOM 1369 C VAL A 98 -17.772 2.912 -14.574 1.00 24.13 C ATOM 1370 O VAL A 98 -17.703 2.124 -13.622 1.00 73.41 O ATOM 1371 CB VAL A 98 -17.211 5.326 -14.546 1.00 62.32 C ATOM 1372 CG1 VAL A 98 -17.810 6.702 -14.638 1.00 22.33 C ATOM 1373 CG2 VAL A 98 -16.216 5.234 -13.402 1.00 54.31 C ATOM 0 H VAL A 98 -18.577 4.126 -12.334 1.00 65.45 H new ATOM 0 HA VAL A 98 -19.039 4.490 -15.190 1.00 11.22 H new ATOM 0 HB VAL A 98 -16.664 5.123 -15.467 1.00 62.32 H new ATOM 0 HG11 VAL A 98 -17.014 7.439 -14.745 1.00 22.33 H new ATOM 0 HG12 VAL A 98 -18.471 6.754 -15.503 1.00 22.33 H new ATOM 0 HG13 VAL A 98 -18.380 6.912 -13.733 1.00 22.33 H new ATOM 0 HG21 VAL A 98 -15.438 5.986 -13.535 1.00 54.31 H new ATOM 0 HG22 VAL A 98 -16.731 5.408 -12.457 1.00 54.31 H new ATOM 0 HG23 VAL A 98 -15.764 4.242 -13.392 1.00 54.31 H new ATOM 1383 N THR A 99 -17.396 2.621 -15.770 1.00 32.31 N ATOM 1384 CA THR A 99 -16.929 1.297 -16.104 1.00 1.33 C ATOM 1385 C THR A 99 -15.395 1.327 -16.231 1.00 71.31 C ATOM 1386 O THR A 99 -14.836 2.197 -16.900 1.00 14.24 O ATOM 1387 CB THR A 99 -17.635 0.759 -17.405 1.00 14.23 C ATOM 1388 OG1 THR A 99 -17.369 -0.631 -17.600 1.00 14.21 O ATOM 1389 CG2 THR A 99 -17.209 1.529 -18.652 1.00 35.43 C ATOM 0 H THR A 99 -17.398 3.280 -16.548 1.00 32.31 H new ATOM 0 HA THR A 99 -17.192 0.599 -15.310 1.00 1.33 H new ATOM 0 HB THR A 99 -18.704 0.908 -17.256 1.00 14.23 H new ATOM 0 HG1 THR A 99 -17.820 -0.939 -18.413 1.00 14.21 H new ATOM 0 HG21 THR A 99 -17.722 1.122 -19.524 1.00 35.43 H new ATOM 0 HG22 THR A 99 -17.469 2.581 -18.536 1.00 35.43 H new ATOM 0 HG23 THR A 99 -16.132 1.434 -18.788 1.00 35.43 H new ATOM 1397 N VAL A 100 -14.719 0.416 -15.554 1.00 61.14 N ATOM 1398 CA VAL A 100 -13.260 0.417 -15.514 1.00 5.11 C ATOM 1399 C VAL A 100 -12.686 -0.997 -15.557 1.00 23.11 C ATOM 1400 O VAL A 100 -13.421 -1.987 -15.470 1.00 30.31 O ATOM 1401 CB VAL A 100 -12.724 1.119 -14.233 1.00 65.03 C ATOM 1402 CG1 VAL A 100 -13.078 2.602 -14.211 1.00 13.35 C ATOM 1403 CG2 VAL A 100 -13.256 0.427 -12.980 1.00 61.42 C ATOM 0 H VAL A 100 -15.155 -0.337 -15.022 1.00 61.14 H new ATOM 0 HA VAL A 100 -12.938 0.966 -16.399 1.00 5.11 H new ATOM 0 HB VAL A 100 -11.637 1.039 -14.247 1.00 65.03 H new ATOM 0 HG11 VAL A 100 -12.686 3.056 -13.301 1.00 13.35 H new ATOM 0 HG12 VAL A 100 -12.640 3.094 -15.080 1.00 13.35 H new ATOM 0 HG13 VAL A 100 -14.162 2.718 -14.237 1.00 13.35 H new ATOM 0 HG21 VAL A 100 -12.871 0.932 -12.094 1.00 61.42 H new ATOM 0 HG22 VAL A 100 -14.345 0.468 -12.976 1.00 61.42 H new ATOM 0 HG23 VAL A 100 -12.933 -0.614 -12.974 1.00 61.42 H new ATOM 1413 N GLY A 101 -11.392 -1.080 -15.700 1.00 71.54 N ATOM 1414 CA GLY A 101 -10.711 -2.342 -15.674 1.00 3.43 C ATOM 1415 C GLY A 101 -9.805 -2.409 -14.469 1.00 22.42 C ATOM 1416 O GLY A 101 -9.162 -1.414 -14.130 1.00 42.04 O ATOM 0 H GLY A 101 -10.782 -0.275 -15.838 1.00 71.54 H new ATOM 0 HA2 GLY A 101 -11.435 -3.156 -15.642 1.00 3.43 H new ATOM 0 HA3 GLY A 101 -10.128 -2.470 -16.586 1.00 3.43 H new ATOM 1420 N ILE A 102 -9.759 -3.549 -13.816 1.00 13.42 N ATOM 1421 CA ILE A 102 -8.955 -3.725 -12.620 1.00 1.53 C ATOM 1422 C ILE A 102 -8.167 -5.025 -12.676 1.00 11.22 C ATOM 1423 O ILE A 102 -8.449 -5.890 -13.499 1.00 51.24 O ATOM 1424 CB ILE A 102 -9.819 -3.634 -11.289 1.00 4.35 C ATOM 1425 CG1 ILE A 102 -10.979 -4.649 -11.225 1.00 11.30 C ATOM 1426 CG2 ILE A 102 -10.361 -2.248 -11.076 1.00 12.14 C ATOM 1427 CD1 ILE A 102 -10.600 -6.067 -10.897 1.00 4.04 C ATOM 0 H ILE A 102 -10.277 -4.382 -14.096 1.00 13.42 H new ATOM 0 HA ILE A 102 -8.246 -2.898 -12.592 1.00 1.53 H new ATOM 0 HB ILE A 102 -9.123 -3.887 -10.489 1.00 4.35 H new ATOM 0 HG12 ILE A 102 -11.696 -4.304 -10.480 1.00 11.30 H new ATOM 0 HG13 ILE A 102 -11.492 -4.645 -12.187 1.00 11.30 H new ATOM 0 HG21 ILE A 102 -10.946 -2.224 -10.157 1.00 12.14 H new ATOM 0 HG22 ILE A 102 -9.534 -1.542 -10.999 1.00 12.14 H new ATOM 0 HG23 ILE A 102 -10.996 -1.972 -11.918 1.00 12.14 H new ATOM 0 HD11 ILE A 102 -11.495 -6.688 -10.880 1.00 4.04 H new ATOM 0 HD12 ILE A 102 -9.911 -6.444 -11.653 1.00 4.04 H new ATOM 0 HD13 ILE A 102 -10.118 -6.098 -9.920 1.00 4.04 H new ATOM 1439 N VAL A 103 -7.190 -5.154 -11.818 1.00 5.24 N ATOM 1440 CA VAL A 103 -6.384 -6.359 -11.727 1.00 35.42 C ATOM 1441 C VAL A 103 -6.365 -6.782 -10.274 1.00 24.53 C ATOM 1442 O VAL A 103 -6.126 -5.956 -9.408 1.00 10.44 O ATOM 1443 CB VAL A 103 -4.925 -6.120 -12.229 1.00 14.55 C ATOM 1444 CG1 VAL A 103 -4.089 -7.390 -12.135 1.00 71.53 C ATOM 1445 CG2 VAL A 103 -4.913 -5.585 -13.658 1.00 0.23 C ATOM 0 H VAL A 103 -6.923 -4.426 -11.155 1.00 5.24 H new ATOM 0 HA VAL A 103 -6.816 -7.133 -12.361 1.00 35.42 H new ATOM 0 HB VAL A 103 -4.479 -5.369 -11.576 1.00 14.55 H new ATOM 0 HG11 VAL A 103 -3.079 -7.188 -12.492 1.00 71.53 H new ATOM 0 HG12 VAL A 103 -4.047 -7.722 -11.098 1.00 71.53 H new ATOM 0 HG13 VAL A 103 -4.542 -8.170 -12.748 1.00 71.53 H new ATOM 0 HG21 VAL A 103 -3.883 -5.429 -13.979 1.00 0.23 H new ATOM 0 HG22 VAL A 103 -5.394 -6.305 -14.320 1.00 0.23 H new ATOM 0 HG23 VAL A 103 -5.453 -4.639 -13.697 1.00 0.23 H new ATOM 1455 N ARG A 104 -6.632 -8.043 -10.003 1.00 33.11 N ATOM 1456 CA ARG A 104 -6.727 -8.505 -8.628 1.00 62.14 C ATOM 1457 C ARG A 104 -5.336 -8.601 -7.993 1.00 50.31 C ATOM 1458 O ARG A 104 -4.352 -8.930 -8.665 1.00 52.33 O ATOM 1459 CB ARG A 104 -7.418 -9.871 -8.522 1.00 72.12 C ATOM 1460 CG ARG A 104 -8.654 -10.055 -9.379 1.00 34.43 C ATOM 1461 CD ARG A 104 -9.526 -11.232 -8.913 1.00 1.03 C ATOM 1462 NE ARG A 104 -8.795 -12.458 -8.559 1.00 44.04 N ATOM 1463 CZ ARG A 104 -9.257 -13.704 -8.771 1.00 45.13 C ATOM 1464 NH1 ARG A 104 -10.235 -13.925 -9.631 1.00 2.05 N ATOM 1465 NH2 ARG A 104 -8.702 -14.722 -8.150 1.00 32.43 N ATOM 0 H ARG A 104 -6.786 -8.764 -10.708 1.00 33.11 H new ATOM 0 HA ARG A 104 -7.331 -7.771 -8.094 1.00 62.14 H new ATOM 0 HB2 ARG A 104 -6.696 -10.643 -8.788 1.00 72.12 H new ATOM 0 HB3 ARG A 104 -7.693 -10.038 -7.481 1.00 72.12 H new ATOM 0 HG2 ARG A 104 -9.245 -9.139 -9.359 1.00 34.43 H new ATOM 0 HG3 ARG A 104 -8.353 -10.218 -10.414 1.00 34.43 H new ATOM 0 HD2 ARG A 104 -10.106 -10.912 -8.047 1.00 1.03 H new ATOM 0 HD3 ARG A 104 -10.238 -11.469 -9.703 1.00 1.03 H new ATOM 0 HE ARG A 104 -7.878 -12.357 -8.124 1.00 44.04 H new ATOM 0 HH11 ARG A 104 -10.649 -13.146 -10.144 1.00 2.05 H new ATOM 0 HH12 ARG A 104 -10.576 -14.874 -9.783 1.00 2.05 H new ATOM 0 HH21 ARG A 104 -7.924 -14.566 -7.510 1.00 32.43 H new ATOM 0 HH22 ARG A 104 -9.050 -15.668 -8.309 1.00 32.43 H new ATOM 1479 N GLU A 105 -5.267 -8.329 -6.716 1.00 64.40 N ATOM 1480 CA GLU A 105 -4.019 -8.363 -5.971 1.00 44.54 C ATOM 1481 C GLU A 105 -3.749 -9.746 -5.410 1.00 74.04 C ATOM 1482 O GLU A 105 -2.672 -10.008 -4.898 1.00 72.13 O ATOM 1483 CB GLU A 105 -4.065 -7.358 -4.818 1.00 52.54 C ATOM 1484 CG GLU A 105 -4.223 -5.910 -5.242 1.00 51.32 C ATOM 1485 CD GLU A 105 -3.040 -5.395 -6.004 1.00 32.31 C ATOM 1486 OE1 GLU A 105 -2.931 -5.663 -7.218 1.00 33.43 O ATOM 1487 OE2 GLU A 105 -2.199 -4.697 -5.402 1.00 45.24 O ATOM 0 H GLU A 105 -6.078 -8.075 -6.152 1.00 64.40 H new ATOM 0 HA GLU A 105 -3.217 -8.101 -6.661 1.00 44.54 H new ATOM 0 HB2 GLU A 105 -4.892 -7.621 -4.158 1.00 52.54 H new ATOM 0 HB3 GLU A 105 -3.149 -7.453 -4.235 1.00 52.54 H new ATOM 0 HG2 GLU A 105 -5.117 -5.812 -5.858 1.00 51.32 H new ATOM 0 HG3 GLU A 105 -4.377 -5.292 -4.357 1.00 51.32 H new ATOM 1494 N ASP A 106 -4.721 -10.619 -5.510 1.00 13.35 N ATOM 1495 CA ASP A 106 -4.592 -11.955 -4.949 1.00 3.01 C ATOM 1496 C ASP A 106 -3.771 -12.862 -5.863 1.00 62.41 C ATOM 1497 O ASP A 106 -2.849 -13.538 -5.404 1.00 2.43 O ATOM 1498 CB ASP A 106 -5.971 -12.568 -4.616 1.00 45.22 C ATOM 1499 CG ASP A 106 -6.831 -12.890 -5.820 1.00 41.31 C ATOM 1500 OD1 ASP A 106 -6.748 -12.177 -6.839 1.00 55.03 O ATOM 1501 OD2 ASP A 106 -7.612 -13.857 -5.751 1.00 51.13 O ATOM 0 H ASP A 106 -5.611 -10.436 -5.972 1.00 13.35 H new ATOM 0 HA ASP A 106 -4.049 -11.867 -4.008 1.00 3.01 H new ATOM 0 HB2 ASP A 106 -5.817 -13.482 -4.042 1.00 45.22 H new ATOM 0 HB3 ASP A 106 -6.515 -11.876 -3.973 1.00 45.22 H new ATOM 1506 N ASN A 107 -4.091 -12.873 -7.145 1.00 25.22 N ATOM 1507 CA ASN A 107 -3.314 -13.670 -8.110 1.00 72.43 C ATOM 1508 C ASN A 107 -3.236 -13.016 -9.486 1.00 60.43 C ATOM 1509 O ASN A 107 -2.976 -13.680 -10.487 1.00 34.40 O ATOM 1510 CB ASN A 107 -3.774 -15.151 -8.190 1.00 73.13 C ATOM 1511 CG ASN A 107 -5.228 -15.342 -8.523 1.00 35.03 C ATOM 1512 OD1 ASN A 107 -6.065 -15.420 -7.639 1.00 72.23 O ATOM 1513 ND2 ASN A 107 -5.542 -15.446 -9.775 1.00 2.11 N ATOM 0 H ASN A 107 -4.869 -12.352 -7.549 1.00 25.22 H new ATOM 0 HA ASN A 107 -2.297 -13.691 -7.717 1.00 72.43 H new ATOM 0 HB2 ASN A 107 -3.173 -15.663 -8.941 1.00 73.13 H new ATOM 0 HB3 ASN A 107 -3.568 -15.633 -7.234 1.00 73.13 H new ATOM 0 HD21 ASN A 107 -6.513 -15.598 -10.046 1.00 2.11 H new ATOM 0 HD22 ASN A 107 -4.818 -15.376 -10.490 1.00 2.11 H new ATOM 1520 N SER A 108 -3.440 -11.701 -9.515 1.00 44.33 N ATOM 1521 CA SER A 108 -3.198 -10.865 -10.707 1.00 21.25 C ATOM 1522 C SER A 108 -4.137 -11.123 -11.914 1.00 73.25 C ATOM 1523 O SER A 108 -3.755 -10.854 -13.056 1.00 1.22 O ATOM 1524 CB SER A 108 -1.723 -10.978 -11.117 1.00 54.33 C ATOM 1525 OG SER A 108 -0.879 -10.579 -10.040 1.00 10.10 O ATOM 0 H SER A 108 -3.780 -11.174 -8.711 1.00 44.33 H new ATOM 0 HA SER A 108 -3.440 -9.846 -10.406 1.00 21.25 H new ATOM 0 HB2 SER A 108 -1.496 -12.004 -11.405 1.00 54.33 H new ATOM 0 HB3 SER A 108 -1.532 -10.353 -11.989 1.00 54.33 H new ATOM 0 HG SER A 108 0.059 -10.657 -10.313 1.00 10.10 H new ATOM 1531 N GLU A 109 -5.351 -11.593 -11.678 1.00 42.15 N ATOM 1532 CA GLU A 109 -6.305 -11.715 -12.783 1.00 25.14 C ATOM 1533 C GLU A 109 -6.858 -10.345 -13.108 1.00 22.23 C ATOM 1534 O GLU A 109 -7.111 -9.544 -12.204 1.00 75.42 O ATOM 1535 CB GLU A 109 -7.465 -12.638 -12.446 1.00 35.14 C ATOM 1536 CG GLU A 109 -7.077 -14.068 -12.149 1.00 71.53 C ATOM 1537 CD GLU A 109 -6.415 -14.747 -13.322 1.00 62.41 C ATOM 1538 OE1 GLU A 109 -7.128 -15.258 -14.210 1.00 71.31 O ATOM 1539 OE2 GLU A 109 -5.176 -14.791 -13.373 1.00 61.41 O ATOM 0 H GLU A 109 -5.697 -11.889 -10.765 1.00 42.15 H new ATOM 0 HA GLU A 109 -5.772 -12.141 -13.633 1.00 25.14 H new ATOM 0 HB2 GLU A 109 -7.993 -12.234 -11.582 1.00 35.14 H new ATOM 0 HB3 GLU A 109 -8.167 -12.633 -13.279 1.00 35.14 H new ATOM 0 HG2 GLU A 109 -6.401 -14.087 -11.294 1.00 71.53 H new ATOM 0 HG3 GLU A 109 -7.966 -14.630 -11.864 1.00 71.53 H new ATOM 1546 N LYS A 110 -7.039 -10.069 -14.360 1.00 22.03 N ATOM 1547 CA LYS A 110 -7.580 -8.790 -14.771 1.00 61.03 C ATOM 1548 C LYS A 110 -9.071 -8.930 -15.046 1.00 52.30 C ATOM 1549 O LYS A 110 -9.522 -9.929 -15.624 1.00 65.43 O ATOM 1550 CB LYS A 110 -6.849 -8.242 -15.999 1.00 20.54 C ATOM 1551 CG LYS A 110 -6.958 -9.118 -17.217 1.00 71.22 C ATOM 1552 CD LYS A 110 -6.176 -8.548 -18.375 1.00 4.25 C ATOM 1553 CE LYS A 110 -6.288 -9.425 -19.605 1.00 53.20 C ATOM 1554 NZ LYS A 110 -5.528 -8.865 -20.739 1.00 33.42 N ATOM 0 H LYS A 110 -6.823 -10.707 -15.126 1.00 22.03 H new ATOM 0 HA LYS A 110 -7.432 -8.075 -13.961 1.00 61.03 H new ATOM 0 HB2 LYS A 110 -7.248 -7.256 -16.236 1.00 20.54 H new ATOM 0 HB3 LYS A 110 -5.796 -8.109 -15.753 1.00 20.54 H new ATOM 0 HG2 LYS A 110 -6.589 -10.117 -16.983 1.00 71.22 H new ATOM 0 HG3 LYS A 110 -8.006 -9.223 -17.499 1.00 71.22 H new ATOM 0 HD2 LYS A 110 -6.542 -7.548 -18.605 1.00 4.25 H new ATOM 0 HD3 LYS A 110 -5.128 -8.447 -18.093 1.00 4.25 H new ATOM 0 HE2 LYS A 110 -5.918 -10.424 -19.376 1.00 53.20 H new ATOM 0 HE3 LYS A 110 -7.336 -9.530 -19.884 1.00 53.20 H new ATOM 0 HZ1 LYS A 110 -5.626 -9.490 -21.565 1.00 33.42 H new ATOM 0 HZ2 LYS A 110 -5.898 -7.922 -20.973 1.00 33.42 H new ATOM 0 HZ3 LYS A 110 -4.524 -8.789 -20.480 1.00 33.42 H new ATOM 1568 N MET A 111 -9.818 -7.953 -14.635 1.00 12.52 N ATOM 1569 CA MET A 111 -11.267 -7.964 -14.758 1.00 15.30 C ATOM 1570 C MET A 111 -11.788 -6.627 -15.092 1.00 11.35 C ATOM 1571 O MET A 111 -11.110 -5.616 -14.951 1.00 11.41 O ATOM 1572 CB MET A 111 -11.992 -8.414 -13.510 1.00 51.13 C ATOM 1573 CG MET A 111 -11.648 -9.777 -13.026 1.00 15.42 C ATOM 1574 SD MET A 111 -12.717 -10.312 -11.677 1.00 11.42 S ATOM 1575 CE MET A 111 -12.629 -8.881 -10.625 1.00 35.11 C ATOM 0 H MET A 111 -9.447 -7.109 -14.198 1.00 12.52 H new ATOM 0 HA MET A 111 -11.457 -8.684 -15.554 1.00 15.30 H new ATOM 0 HB2 MET A 111 -11.783 -7.701 -12.713 1.00 51.13 H new ATOM 0 HB3 MET A 111 -13.065 -8.375 -13.700 1.00 51.13 H new ATOM 0 HG2 MET A 111 -11.727 -10.484 -13.852 1.00 15.42 H new ATOM 0 HG3 MET A 111 -10.610 -9.791 -12.692 1.00 15.42 H new ATOM 0 HE1 MET A 111 -12.974 -9.143 -9.625 1.00 35.11 H new ATOM 0 HE2 MET A 111 -11.598 -8.530 -10.573 1.00 35.11 H new ATOM 0 HE3 MET A 111 -13.261 -8.091 -11.031 1.00 35.11 H new ATOM 1585 N ALA A 112 -12.979 -6.633 -15.524 1.00 65.53 N ATOM 1586 CA ALA A 112 -13.684 -5.436 -15.874 1.00 71.20 C ATOM 1587 C ALA A 112 -14.798 -5.245 -14.880 1.00 71.14 C ATOM 1588 O ALA A 112 -15.641 -6.133 -14.704 1.00 44.24 O ATOM 1589 CB ALA A 112 -14.234 -5.521 -17.281 1.00 33.14 C ATOM 0 H ALA A 112 -13.524 -7.485 -15.655 1.00 65.53 H new ATOM 0 HA ALA A 112 -13.004 -4.585 -15.846 1.00 71.20 H new ATOM 0 HB1 ALA A 112 -14.764 -4.599 -17.521 1.00 33.14 H new ATOM 0 HB2 ALA A 112 -13.413 -5.661 -17.985 1.00 33.14 H new ATOM 0 HB3 ALA A 112 -14.921 -6.364 -17.353 1.00 33.14 H new ATOM 1595 N VAL A 113 -14.808 -4.119 -14.221 1.00 63.23 N ATOM 1596 CA VAL A 113 -15.769 -3.870 -13.172 1.00 53.43 C ATOM 1597 C VAL A 113 -16.308 -2.453 -13.257 1.00 50.11 C ATOM 1598 O VAL A 113 -15.847 -1.637 -14.059 1.00 34.42 O ATOM 1599 CB VAL A 113 -15.153 -4.071 -11.750 1.00 34.44 C ATOM 1600 CG1 VAL A 113 -14.638 -5.486 -11.543 1.00 70.52 C ATOM 1601 CG2 VAL A 113 -14.048 -3.066 -11.496 1.00 25.33 C ATOM 0 H VAL A 113 -14.158 -3.352 -14.391 1.00 63.23 H new ATOM 0 HA VAL A 113 -16.573 -4.591 -13.318 1.00 53.43 H new ATOM 0 HB VAL A 113 -15.954 -3.906 -11.030 1.00 34.44 H new ATOM 0 HG11 VAL A 113 -14.219 -5.578 -10.541 1.00 70.52 H new ATOM 0 HG12 VAL A 113 -15.460 -6.193 -11.659 1.00 70.52 H new ATOM 0 HG13 VAL A 113 -13.865 -5.704 -12.280 1.00 70.52 H new ATOM 0 HG21 VAL A 113 -13.634 -3.225 -10.500 1.00 25.33 H new ATOM 0 HG22 VAL A 113 -13.262 -3.193 -12.240 1.00 25.33 H new ATOM 0 HG23 VAL A 113 -14.452 -2.056 -11.564 1.00 25.33 H new ATOM 1611 N LYS A 114 -17.276 -2.169 -12.438 1.00 53.15 N ATOM 1612 CA LYS A 114 -17.823 -0.843 -12.339 1.00 12.51 C ATOM 1613 C LYS A 114 -17.302 -0.218 -11.069 1.00 62.53 C ATOM 1614 O LYS A 114 -16.996 -0.929 -10.114 1.00 15.41 O ATOM 1615 CB LYS A 114 -19.377 -0.846 -12.322 1.00 70.43 C ATOM 1616 CG LYS A 114 -20.075 -1.318 -13.613 1.00 63.13 C ATOM 1617 CD LYS A 114 -19.786 -2.776 -13.946 1.00 11.44 C ATOM 1618 CE LYS A 114 -20.511 -3.225 -15.196 1.00 54.21 C ATOM 1619 NZ LYS A 114 -20.144 -2.427 -16.394 1.00 32.42 N ATOM 0 H LYS A 114 -17.712 -2.850 -11.817 1.00 53.15 H new ATOM 0 HA LYS A 114 -17.516 -0.273 -13.216 1.00 12.51 H new ATOM 0 HB2 LYS A 114 -19.709 -1.483 -11.502 1.00 70.43 H new ATOM 0 HB3 LYS A 114 -19.718 0.165 -12.099 1.00 70.43 H new ATOM 0 HG2 LYS A 114 -21.151 -1.181 -13.509 1.00 63.13 H new ATOM 0 HG3 LYS A 114 -19.753 -0.690 -14.444 1.00 63.13 H new ATOM 0 HD2 LYS A 114 -18.713 -2.912 -14.081 1.00 11.44 H new ATOM 0 HD3 LYS A 114 -20.084 -3.406 -13.108 1.00 11.44 H new ATOM 0 HE2 LYS A 114 -20.287 -4.275 -15.383 1.00 54.21 H new ATOM 0 HE3 LYS A 114 -21.586 -3.152 -15.032 1.00 54.21 H new ATOM 0 HZ1 LYS A 114 -20.535 -2.879 -17.245 1.00 32.42 H new ATOM 0 HZ2 LYS A 114 -20.532 -1.466 -16.303 1.00 32.42 H new ATOM 0 HZ3 LYS A 114 -19.108 -2.376 -16.473 1.00 32.42 H new ATOM 1633 N THR A 115 -17.171 1.066 -11.051 1.00 74.34 N ATOM 1634 CA THR A 115 -16.717 1.748 -9.875 1.00 64.20 C ATOM 1635 C THR A 115 -17.397 3.101 -9.814 1.00 73.21 C ATOM 1636 O THR A 115 -18.099 3.494 -10.760 1.00 1.34 O ATOM 1637 CB THR A 115 -15.164 1.922 -9.851 1.00 54.43 C ATOM 1638 OG1 THR A 115 -14.745 2.355 -8.550 1.00 10.41 O ATOM 1639 CG2 THR A 115 -14.722 2.963 -10.866 1.00 11.33 C ATOM 0 H THR A 115 -17.373 1.674 -11.844 1.00 74.34 H new ATOM 0 HA THR A 115 -16.977 1.146 -9.004 1.00 64.20 H new ATOM 0 HB THR A 115 -14.713 0.961 -10.097 1.00 54.43 H new ATOM 0 HG1 THR A 115 -15.131 1.765 -7.869 1.00 10.41 H new ATOM 0 HG21 THR A 115 -13.638 3.067 -10.831 1.00 11.33 H new ATOM 0 HG22 THR A 115 -15.025 2.649 -11.865 1.00 11.33 H new ATOM 0 HG23 THR A 115 -15.186 3.921 -10.631 1.00 11.33 H new ATOM 1647 N TYR A 116 -17.219 3.791 -8.728 1.00 23.11 N ATOM 1648 CA TYR A 116 -17.812 5.071 -8.545 1.00 2.31 C ATOM 1649 C TYR A 116 -16.747 6.127 -8.535 1.00 73.33 C ATOM 1650 O TYR A 116 -15.911 6.192 -7.632 1.00 20.13 O ATOM 1651 CB TYR A 116 -18.707 5.082 -7.310 1.00 1.02 C ATOM 1652 CG TYR A 116 -19.831 4.095 -7.469 1.00 53.51 C ATOM 1653 CD1 TYR A 116 -21.008 4.458 -8.099 1.00 65.21 C ATOM 1654 CD2 TYR A 116 -19.694 2.786 -7.037 1.00 70.40 C ATOM 1655 CE1 TYR A 116 -22.021 3.547 -8.289 1.00 71.04 C ATOM 1656 CE2 TYR A 116 -20.697 1.868 -7.232 1.00 24.03 C ATOM 1657 CZ TYR A 116 -21.856 2.251 -7.856 1.00 63.13 C ATOM 1658 OH TYR A 116 -22.849 1.325 -8.069 1.00 72.25 O ATOM 0 H TYR A 116 -16.653 3.475 -7.941 1.00 23.11 H new ATOM 0 HA TYR A 116 -18.470 5.301 -9.383 1.00 2.31 H new ATOM 0 HB2 TYR A 116 -18.120 4.835 -6.425 1.00 1.02 H new ATOM 0 HB3 TYR A 116 -19.112 6.082 -7.155 1.00 1.02 H new ATOM 0 HD1 TYR A 116 -21.133 5.473 -8.447 1.00 65.21 H new ATOM 0 HD2 TYR A 116 -18.785 2.483 -6.539 1.00 70.40 H new ATOM 0 HE1 TYR A 116 -22.938 3.846 -8.774 1.00 71.04 H new ATOM 0 HE2 TYR A 116 -20.573 0.849 -6.895 1.00 24.03 H new ATOM 0 HH TYR A 116 -22.492 0.424 -7.927 1.00 72.25 H new ATOM 1668 N MET A 117 -16.784 6.934 -9.547 1.00 55.45 N ATOM 1669 CA MET A 117 -15.771 7.915 -9.804 1.00 75.51 C ATOM 1670 C MET A 117 -16.270 9.304 -9.474 1.00 11.44 C ATOM 1671 O MET A 117 -17.477 9.593 -9.595 1.00 62.24 O ATOM 1672 CB MET A 117 -15.261 7.725 -11.265 1.00 14.22 C ATOM 1673 CG MET A 117 -14.320 8.776 -11.853 1.00 24.21 C ATOM 1674 SD MET A 117 -15.178 10.221 -12.511 1.00 74.42 S ATOM 1675 CE MET A 117 -16.182 9.468 -13.803 1.00 30.20 C ATOM 0 H MET A 117 -17.536 6.931 -10.236 1.00 55.45 H new ATOM 0 HA MET A 117 -14.910 7.779 -9.149 1.00 75.51 H new ATOM 0 HB2 MET A 117 -14.754 6.761 -11.316 1.00 14.22 H new ATOM 0 HB3 MET A 117 -16.134 7.661 -11.915 1.00 14.22 H new ATOM 0 HG2 MET A 117 -13.621 9.098 -11.082 1.00 24.21 H new ATOM 0 HG3 MET A 117 -13.730 8.320 -12.648 1.00 24.21 H new ATOM 0 HE1 MET A 117 -16.502 10.235 -14.509 1.00 30.20 H new ATOM 0 HE2 MET A 117 -15.595 8.714 -14.328 1.00 30.20 H new ATOM 0 HE3 MET A 117 -17.058 8.998 -13.356 1.00 30.20 H new ATOM 1685 N TRP A 118 -15.356 10.137 -9.011 1.00 63.32 N ATOM 1686 CA TRP A 118 -15.664 11.457 -8.543 1.00 41.33 C ATOM 1687 C TRP A 118 -15.991 12.358 -9.701 1.00 24.53 C ATOM 1688 O TRP A 118 -15.160 12.626 -10.562 1.00 74.32 O ATOM 1689 CB TRP A 118 -14.504 11.982 -7.712 1.00 62.40 C ATOM 1690 CG TRP A 118 -14.734 13.311 -7.056 1.00 31.51 C ATOM 1691 CD1 TRP A 118 -14.090 14.468 -7.322 1.00 62.04 C ATOM 1692 CD2 TRP A 118 -15.669 13.607 -6.017 1.00 34.31 C ATOM 1693 NE1 TRP A 118 -14.558 15.470 -6.513 1.00 22.35 N ATOM 1694 CE2 TRP A 118 -15.527 14.967 -5.702 1.00 12.51 C ATOM 1695 CE3 TRP A 118 -16.609 12.854 -5.326 1.00 32.23 C ATOM 1696 CZ2 TRP A 118 -16.292 15.586 -4.722 1.00 41.21 C ATOM 1697 CZ3 TRP A 118 -17.364 13.464 -4.359 1.00 41.51 C ATOM 1698 CH2 TRP A 118 -17.205 14.818 -4.062 1.00 20.42 C ATOM 0 H TRP A 118 -14.365 9.902 -8.953 1.00 63.32 H new ATOM 0 HA TRP A 118 -16.547 11.429 -7.904 1.00 41.33 H new ATOM 0 HB2 TRP A 118 -14.272 11.249 -6.939 1.00 62.40 H new ATOM 0 HB3 TRP A 118 -13.625 12.059 -8.353 1.00 62.40 H new ATOM 0 HD1 TRP A 118 -13.316 14.587 -8.066 1.00 62.04 H new ATOM 0 HE1 TRP A 118 -14.232 16.437 -6.518 1.00 22.35 H new ATOM 0 HE3 TRP A 118 -16.743 11.805 -5.547 1.00 32.23 H new ATOM 0 HZ2 TRP A 118 -16.169 16.634 -4.492 1.00 41.21 H new ATOM 0 HZ3 TRP A 118 -18.097 12.885 -3.816 1.00 41.51 H new ATOM 0 HH2 TRP A 118 -17.817 15.267 -3.294 1.00 20.42 H new ATOM 1709 N ILE A 119 -17.210 12.822 -9.679 1.00 30.20 N ATOM 1710 CA ILE A 119 -17.815 13.584 -10.744 1.00 13.30 C ATOM 1711 C ILE A 119 -17.038 14.858 -11.084 1.00 61.13 C ATOM 1712 O ILE A 119 -16.859 15.190 -12.262 1.00 42.15 O ATOM 1713 CB ILE A 119 -19.273 13.898 -10.373 1.00 74.53 C ATOM 1714 CG1 ILE A 119 -19.980 12.569 -10.069 1.00 44.01 C ATOM 1715 CG2 ILE A 119 -19.962 14.620 -11.527 1.00 75.32 C ATOM 1716 CD1 ILE A 119 -21.367 12.692 -9.503 1.00 25.13 C ATOM 0 H ILE A 119 -17.837 12.675 -8.888 1.00 30.20 H new ATOM 0 HA ILE A 119 -17.789 12.977 -11.649 1.00 13.30 H new ATOM 0 HB ILE A 119 -19.313 14.549 -9.500 1.00 74.53 H new ATOM 0 HG12 ILE A 119 -20.031 11.986 -10.988 1.00 44.01 H new ATOM 0 HG13 ILE A 119 -19.368 12.004 -9.366 1.00 44.01 H new ATOM 0 HG21 ILE A 119 -20.995 14.838 -11.255 1.00 75.32 H new ATOM 0 HG22 ILE A 119 -19.438 15.552 -11.738 1.00 75.32 H new ATOM 0 HG23 ILE A 119 -19.947 13.986 -12.414 1.00 75.32 H new ATOM 0 HD11 ILE A 119 -21.777 11.698 -9.324 1.00 25.13 H new ATOM 0 HD12 ILE A 119 -21.329 13.243 -8.563 1.00 25.13 H new ATOM 0 HD13 ILE A 119 -22.003 13.225 -10.210 1.00 25.13 H new ATOM 1728 N ASN A 120 -16.559 15.555 -10.080 1.00 52.24 N ATOM 1729 CA ASN A 120 -15.789 16.754 -10.336 1.00 10.23 C ATOM 1730 C ASN A 120 -14.337 16.422 -10.478 1.00 65.21 C ATOM 1731 O ASN A 120 -13.605 16.364 -9.505 1.00 35.12 O ATOM 1732 CB ASN A 120 -15.990 17.846 -9.276 1.00 34.20 C ATOM 1733 CG ASN A 120 -17.398 18.385 -9.233 1.00 45.24 C ATOM 1734 OD1 ASN A 120 -18.111 18.377 -10.234 1.00 42.22 O ATOM 1735 ND2 ASN A 120 -17.797 18.889 -8.097 1.00 72.01 N ATOM 0 H ASN A 120 -16.684 15.320 -9.095 1.00 52.24 H new ATOM 0 HA ASN A 120 -16.163 17.165 -11.274 1.00 10.23 H new ATOM 0 HB2 ASN A 120 -15.733 17.443 -8.296 1.00 34.20 H new ATOM 0 HB3 ASN A 120 -15.300 18.666 -9.475 1.00 34.20 H new ATOM 0 HD21 ASN A 120 -18.730 19.295 -8.019 1.00 72.01 H new ATOM 0 HD22 ASN A 120 -17.176 18.877 -7.288 1.00 72.01 H new ATOM 1742 N LYS A 121 -13.930 16.165 -11.701 1.00 75.12 N ATOM 1743 CA LYS A 121 -12.555 15.809 -11.998 1.00 12.31 C ATOM 1744 C LYS A 121 -11.624 16.954 -11.646 1.00 2.02 C ATOM 1745 O LYS A 121 -10.470 16.741 -11.269 1.00 50.33 O ATOM 1746 CB LYS A 121 -12.420 15.427 -13.464 1.00 53.14 C ATOM 1747 CG LYS A 121 -13.295 14.249 -13.856 1.00 50.12 C ATOM 1748 CD LYS A 121 -13.169 13.936 -15.325 1.00 73.21 C ATOM 1749 CE LYS A 121 -14.052 12.769 -15.716 1.00 53.03 C ATOM 1750 NZ LYS A 121 -13.973 12.475 -17.162 1.00 52.22 N ATOM 0 H LYS A 121 -14.539 16.196 -12.518 1.00 75.12 H new ATOM 0 HA LYS A 121 -12.273 14.948 -11.392 1.00 12.31 H new ATOM 0 HB2 LYS A 121 -12.679 16.286 -14.082 1.00 53.14 H new ATOM 0 HB3 LYS A 121 -11.379 15.185 -13.676 1.00 53.14 H new ATOM 0 HG2 LYS A 121 -13.013 13.374 -13.270 1.00 50.12 H new ATOM 0 HG3 LYS A 121 -14.335 14.471 -13.618 1.00 50.12 H new ATOM 0 HD2 LYS A 121 -13.442 14.814 -15.911 1.00 73.21 H new ATOM 0 HD3 LYS A 121 -12.131 13.705 -15.562 1.00 73.21 H new ATOM 0 HE2 LYS A 121 -13.757 11.886 -15.150 1.00 53.03 H new ATOM 0 HE3 LYS A 121 -15.085 12.990 -15.447 1.00 53.03 H new ATOM 0 HZ1 LYS A 121 -14.592 11.670 -17.387 1.00 52.22 H new ATOM 0 HZ2 LYS A 121 -14.279 13.309 -17.703 1.00 52.22 H new ATOM 0 HZ3 LYS A 121 -12.992 12.239 -17.415 1.00 52.22 H new ATOM 1764 N ALA A 122 -12.135 18.156 -11.765 1.00 41.35 N ATOM 1765 CA ALA A 122 -11.415 19.321 -11.370 1.00 34.10 C ATOM 1766 C ALA A 122 -12.028 19.868 -10.091 1.00 43.24 C ATOM 1767 O ALA A 122 -12.949 20.707 -10.116 1.00 13.44 O ATOM 1768 CB ALA A 122 -11.389 20.372 -12.474 1.00 51.15 C ATOM 0 H ALA A 122 -13.065 18.344 -12.140 1.00 41.35 H new ATOM 0 HA ALA A 122 -10.376 19.051 -11.184 1.00 34.10 H new ATOM 0 HB1 ALA A 122 -10.831 21.244 -12.133 1.00 51.15 H new ATOM 0 HB2 ALA A 122 -10.908 19.957 -13.360 1.00 51.15 H new ATOM 0 HB3 ALA A 122 -12.409 20.667 -12.719 1.00 51.15 H new ATOM 1774 N ASP A 123 -11.579 19.341 -8.990 1.00 62.13 N ATOM 1775 CA ASP A 123 -12.063 19.737 -7.688 1.00 12.01 C ATOM 1776 C ASP A 123 -10.898 20.241 -6.869 1.00 22.22 C ATOM 1777 O ASP A 123 -9.923 19.519 -6.660 1.00 51.22 O ATOM 1778 CB ASP A 123 -12.741 18.561 -6.975 1.00 75.12 C ATOM 1779 CG ASP A 123 -13.301 18.940 -5.626 1.00 23.24 C ATOM 1780 OD1 ASP A 123 -12.527 19.059 -4.655 1.00 53.44 O ATOM 1781 OD2 ASP A 123 -14.533 19.102 -5.514 1.00 50.24 O ATOM 0 H ASP A 123 -10.860 18.618 -8.964 1.00 62.13 H new ATOM 0 HA ASP A 123 -12.805 20.527 -7.806 1.00 12.01 H new ATOM 0 HB2 ASP A 123 -13.545 18.176 -7.602 1.00 75.12 H new ATOM 0 HB3 ASP A 123 -12.020 17.753 -6.850 1.00 75.12 H new ATOM 1786 N PRO A 124 -10.970 21.480 -6.397 1.00 21.53 N ATOM 1787 CA PRO A 124 -9.872 22.118 -5.675 1.00 3.34 C ATOM 1788 C PRO A 124 -9.836 21.786 -4.179 1.00 44.21 C ATOM 1789 O PRO A 124 -8.948 22.259 -3.459 1.00 0.20 O ATOM 1790 CB PRO A 124 -10.189 23.593 -5.863 1.00 71.22 C ATOM 1791 CG PRO A 124 -11.677 23.641 -5.843 1.00 65.12 C ATOM 1792 CD PRO A 124 -12.133 22.390 -6.539 1.00 41.04 C ATOM 0 HA PRO A 124 -8.901 21.790 -6.046 1.00 3.34 H new ATOM 0 HB2 PRO A 124 -9.758 24.200 -5.066 1.00 71.22 H new ATOM 0 HB3 PRO A 124 -9.789 23.972 -6.804 1.00 71.22 H new ATOM 0 HG2 PRO A 124 -12.054 23.680 -4.821 1.00 65.12 H new ATOM 0 HG3 PRO A 124 -12.047 24.530 -6.353 1.00 65.12 H new ATOM 0 HD2 PRO A 124 -13.028 21.975 -6.076 1.00 41.04 H new ATOM 0 HD3 PRO A 124 -12.373 22.576 -7.586 1.00 41.04 H new ATOM 1800 N ASP A 125 -10.760 20.977 -3.711 1.00 63.43 N ATOM 1801 CA ASP A 125 -10.843 20.720 -2.287 1.00 23.32 C ATOM 1802 C ASP A 125 -10.381 19.318 -1.927 1.00 50.45 C ATOM 1803 O ASP A 125 -9.930 19.070 -0.809 1.00 2.44 O ATOM 1804 CB ASP A 125 -12.251 20.990 -1.772 1.00 62.13 C ATOM 1805 CG ASP A 125 -12.377 20.815 -0.278 1.00 40.20 C ATOM 1806 OD1 ASP A 125 -11.793 21.624 0.475 1.00 45.20 O ATOM 1807 OD2 ASP A 125 -13.123 19.925 0.165 1.00 30.10 O ATOM 0 H ASP A 125 -11.453 20.493 -4.281 1.00 63.43 H new ATOM 0 HA ASP A 125 -10.159 21.410 -1.792 1.00 23.32 H new ATOM 0 HB2 ASP A 125 -12.541 22.006 -2.039 1.00 62.13 H new ATOM 0 HB3 ASP A 125 -12.949 20.318 -2.271 1.00 62.13 H new ATOM 1812 N MET A 126 -10.443 18.409 -2.878 1.00 72.42 N ATOM 1813 CA MET A 126 -10.015 17.026 -2.642 1.00 53.42 C ATOM 1814 C MET A 126 -8.488 16.888 -2.635 1.00 75.23 C ATOM 1815 O MET A 126 -7.972 15.792 -2.474 1.00 74.43 O ATOM 1816 CB MET A 126 -10.590 16.101 -3.705 1.00 55.33 C ATOM 1817 CG MET A 126 -10.132 16.471 -5.095 1.00 31.12 C ATOM 1818 SD MET A 126 -10.812 15.445 -6.389 1.00 35.12 S ATOM 1819 CE MET A 126 -10.051 16.236 -7.792 1.00 53.44 C ATOM 0 H MET A 126 -10.783 18.592 -3.822 1.00 72.42 H new ATOM 0 HA MET A 126 -10.391 16.744 -1.658 1.00 53.42 H new ATOM 0 HB2 MET A 126 -10.294 15.074 -3.489 1.00 55.33 H new ATOM 0 HB3 MET A 126 -11.679 16.135 -3.663 1.00 55.33 H new ATOM 0 HG2 MET A 126 -10.402 17.509 -5.290 1.00 31.12 H new ATOM 0 HG3 MET A 126 -9.044 16.412 -5.134 1.00 31.12 H new ATOM 0 HE1 MET A 126 -10.818 16.502 -8.520 1.00 53.44 H new ATOM 0 HE2 MET A 126 -9.533 17.138 -7.465 1.00 53.44 H new ATOM 0 HE3 MET A 126 -9.336 15.553 -8.251 1.00 53.44 H new ATOM 2066 N LYS A 140 4.969 -5.033 -1.762 1.00 1.51 N ATOM 2067 CA LYS A 140 6.079 -5.887 -2.210 1.00 52.24 C ATOM 2068 C LYS A 140 5.683 -7.351 -2.115 1.00 51.22 C ATOM 2069 O LYS A 140 6.033 -8.155 -2.976 1.00 13.22 O ATOM 2070 CB LYS A 140 7.340 -5.659 -1.348 1.00 72.32 C ATOM 2071 CG LYS A 140 8.536 -6.527 -1.772 1.00 64.00 C ATOM 2072 CD LYS A 140 9.771 -6.311 -0.907 1.00 2.50 C ATOM 2073 CE LYS A 140 9.534 -6.738 0.529 1.00 52.34 C ATOM 2074 NZ LYS A 140 10.751 -6.612 1.348 1.00 43.42 N ATOM 0 HA LYS A 140 6.301 -5.624 -3.244 1.00 52.24 H new ATOM 0 HB2 LYS A 140 7.625 -4.608 -1.405 1.00 72.32 H new ATOM 0 HB3 LYS A 140 7.101 -5.868 -0.305 1.00 72.32 H new ATOM 0 HG2 LYS A 140 8.248 -7.577 -1.727 1.00 64.00 H new ATOM 0 HG3 LYS A 140 8.785 -6.309 -2.810 1.00 64.00 H new ATOM 0 HD2 LYS A 140 10.608 -6.874 -1.320 1.00 2.50 H new ATOM 0 HD3 LYS A 140 10.052 -5.258 -0.932 1.00 2.50 H new ATOM 0 HE2 LYS A 140 8.740 -6.129 0.962 1.00 52.34 H new ATOM 0 HE3 LYS A 140 9.189 -7.772 0.548 1.00 52.34 H new ATOM 0 HZ1 LYS A 140 10.547 -6.914 2.322 1.00 43.42 H new ATOM 0 HZ2 LYS A 140 11.501 -7.212 0.950 1.00 43.42 H new ATOM 0 HZ3 LYS A 140 11.066 -5.621 1.351 1.00 43.42 H new ATOM 2088 N LYS A 141 4.894 -7.653 -1.086 1.00 74.21 N ATOM 2089 CA LYS A 141 4.458 -9.000 -0.736 1.00 43.44 C ATOM 2090 C LYS A 141 3.809 -9.698 -1.959 1.00 70.13 C ATOM 2091 O LYS A 141 4.011 -10.888 -2.176 1.00 33.12 O ATOM 2092 CB LYS A 141 3.471 -8.880 0.461 1.00 71.54 C ATOM 2093 CG LYS A 141 3.198 -10.146 1.293 1.00 10.24 C ATOM 2094 CD LYS A 141 2.489 -11.254 0.542 1.00 4.33 C ATOM 2095 CE LYS A 141 2.232 -12.426 1.464 1.00 33.31 C ATOM 2096 NZ LYS A 141 1.575 -13.544 0.779 1.00 11.30 N ATOM 0 H LYS A 141 4.529 -6.942 -0.453 1.00 74.21 H new ATOM 0 HA LYS A 141 5.306 -9.619 -0.444 1.00 43.44 H new ATOM 0 HB2 LYS A 141 3.852 -8.112 1.134 1.00 71.54 H new ATOM 0 HB3 LYS A 141 2.517 -8.521 0.075 1.00 71.54 H new ATOM 0 HG2 LYS A 141 4.147 -10.529 1.669 1.00 10.24 H new ATOM 0 HG3 LYS A 141 2.598 -9.872 2.161 1.00 10.24 H new ATOM 0 HD2 LYS A 141 1.546 -10.885 0.139 1.00 4.33 H new ATOM 0 HD3 LYS A 141 3.094 -11.574 -0.306 1.00 4.33 H new ATOM 0 HE2 LYS A 141 3.178 -12.767 1.885 1.00 33.31 H new ATOM 0 HE3 LYS A 141 1.611 -12.099 2.298 1.00 33.31 H new ATOM 0 HZ1 LYS A 141 0.969 -14.056 1.452 1.00 11.30 H new ATOM 0 HZ2 LYS A 141 0.994 -13.179 -0.002 1.00 11.30 H new ATOM 0 HZ3 LYS A 141 2.296 -14.191 0.401 1.00 11.30 H new ATOM 2110 N LYS A 142 3.082 -8.925 -2.776 1.00 70.31 N ATOM 2111 CA LYS A 142 2.403 -9.472 -3.959 1.00 3.15 C ATOM 2112 C LYS A 142 3.428 -10.021 -4.967 1.00 62.11 C ATOM 2113 O LYS A 142 3.249 -11.101 -5.533 1.00 64.22 O ATOM 2114 CB LYS A 142 1.531 -8.400 -4.640 1.00 32.33 C ATOM 2115 CG LYS A 142 0.759 -8.929 -5.840 1.00 64.01 C ATOM 2116 CD LYS A 142 -0.015 -7.845 -6.564 1.00 62.11 C ATOM 2117 CE LYS A 142 -0.778 -8.439 -7.740 1.00 13.13 C ATOM 2118 NZ LYS A 142 -1.486 -7.415 -8.531 1.00 41.03 N ATOM 0 H LYS A 142 2.949 -7.923 -2.641 1.00 70.31 H new ATOM 0 HA LYS A 142 1.760 -10.286 -3.625 1.00 3.15 H new ATOM 0 HB2 LYS A 142 0.827 -7.997 -3.912 1.00 32.33 H new ATOM 0 HB3 LYS A 142 2.166 -7.574 -4.960 1.00 32.33 H new ATOM 0 HG2 LYS A 142 1.454 -9.399 -6.535 1.00 64.01 H new ATOM 0 HG3 LYS A 142 0.067 -9.704 -5.509 1.00 64.01 H new ATOM 0 HD2 LYS A 142 -0.710 -7.363 -5.876 1.00 62.11 H new ATOM 0 HD3 LYS A 142 0.669 -7.074 -6.918 1.00 62.11 H new ATOM 0 HE2 LYS A 142 -0.083 -8.976 -8.386 1.00 13.13 H new ATOM 0 HE3 LYS A 142 -1.498 -9.169 -7.370 1.00 13.13 H new ATOM 0 HZ1 LYS A 142 -2.349 -7.827 -8.940 1.00 41.03 H new ATOM 0 HZ2 LYS A 142 -1.742 -6.617 -7.916 1.00 41.03 H new ATOM 0 HZ3 LYS A 142 -0.867 -7.078 -9.296 1.00 41.03 H new ATOM 2132 N PHE A 143 4.506 -9.277 -5.162 1.00 30.45 N ATOM 2133 CA PHE A 143 5.564 -9.675 -6.087 1.00 14.10 C ATOM 2134 C PHE A 143 6.363 -10.798 -5.485 1.00 63.13 C ATOM 2135 O PHE A 143 6.895 -11.658 -6.192 1.00 72.51 O ATOM 2136 CB PHE A 143 6.493 -8.509 -6.402 1.00 45.21 C ATOM 2137 CG PHE A 143 5.806 -7.329 -6.999 1.00 51.33 C ATOM 2138 CD1 PHE A 143 5.545 -7.276 -8.357 1.00 13.11 C ATOM 2139 CD2 PHE A 143 5.416 -6.277 -6.205 1.00 23.11 C ATOM 2140 CE1 PHE A 143 4.906 -6.185 -8.910 1.00 43.33 C ATOM 2141 CE2 PHE A 143 4.777 -5.185 -6.748 1.00 5.33 C ATOM 2142 CZ PHE A 143 4.521 -5.137 -8.102 1.00 42.21 C ATOM 0 H PHE A 143 4.674 -8.388 -4.690 1.00 30.45 H new ATOM 0 HA PHE A 143 5.096 -10.002 -7.016 1.00 14.10 H new ATOM 0 HB2 PHE A 143 6.994 -8.199 -5.485 1.00 45.21 H new ATOM 0 HB3 PHE A 143 7.268 -8.851 -7.088 1.00 45.21 H new ATOM 0 HD1 PHE A 143 5.845 -8.097 -8.991 1.00 13.11 H new ATOM 0 HD2 PHE A 143 5.613 -6.307 -5.144 1.00 23.11 H new ATOM 0 HE1 PHE A 143 4.708 -6.153 -9.971 1.00 43.33 H new ATOM 0 HE2 PHE A 143 4.476 -4.365 -6.113 1.00 5.33 H new ATOM 0 HZ PHE A 143 4.020 -4.280 -8.528 1.00 42.21 H new ATOM 2152 N ILE A 144 6.462 -10.777 -4.170 1.00 43.23 N ATOM 2153 CA ILE A 144 7.167 -11.795 -3.434 1.00 13.30 C ATOM 2154 C ILE A 144 6.547 -13.166 -3.688 1.00 74.01 C ATOM 2155 O ILE A 144 7.238 -14.138 -3.703 1.00 34.41 O ATOM 2156 CB ILE A 144 7.279 -11.483 -1.911 1.00 14.14 C ATOM 2157 CG1 ILE A 144 7.957 -10.127 -1.699 1.00 65.22 C ATOM 2158 CG2 ILE A 144 8.072 -12.556 -1.184 1.00 22.25 C ATOM 2159 CD1 ILE A 144 9.332 -9.998 -2.345 1.00 11.51 C ATOM 0 H ILE A 144 6.053 -10.049 -3.585 1.00 43.23 H new ATOM 0 HA ILE A 144 8.191 -11.805 -3.807 1.00 13.30 H new ATOM 0 HB ILE A 144 6.268 -11.460 -1.503 1.00 14.14 H new ATOM 0 HG12 ILE A 144 7.309 -9.345 -2.095 1.00 65.22 H new ATOM 0 HG13 ILE A 144 8.055 -9.948 -0.628 1.00 65.22 H new ATOM 0 HG21 ILE A 144 8.132 -12.309 -0.124 1.00 22.25 H new ATOM 0 HG22 ILE A 144 7.576 -13.519 -1.305 1.00 22.25 H new ATOM 0 HG23 ILE A 144 9.078 -12.611 -1.601 1.00 22.25 H new ATOM 0 HD11 ILE A 144 9.737 -9.006 -2.144 1.00 11.51 H new ATOM 0 HD12 ILE A 144 10.000 -10.754 -1.932 1.00 11.51 H new ATOM 0 HD13 ILE A 144 9.243 -10.142 -3.422 1.00 11.51 H new ATOM 2171 N GLU A 145 5.237 -13.220 -3.898 1.00 44.23 N ATOM 2172 CA GLU A 145 4.569 -14.483 -4.247 1.00 2.13 C ATOM 2173 C GLU A 145 5.106 -15.041 -5.571 1.00 4.04 C ATOM 2174 O GLU A 145 5.243 -16.263 -5.746 1.00 2.25 O ATOM 2175 CB GLU A 145 3.069 -14.292 -4.354 1.00 43.21 C ATOM 2176 CG GLU A 145 2.421 -13.843 -3.074 1.00 21.32 C ATOM 2177 CD GLU A 145 2.664 -14.802 -1.945 1.00 35.22 C ATOM 2178 OE1 GLU A 145 2.081 -15.896 -1.944 1.00 31.03 O ATOM 2179 OE2 GLU A 145 3.417 -14.460 -1.016 1.00 2.05 O ATOM 0 H GLU A 145 4.614 -12.415 -3.835 1.00 44.23 H new ATOM 0 HA GLU A 145 4.781 -15.194 -3.449 1.00 2.13 H new ATOM 0 HB2 GLU A 145 2.860 -13.558 -5.133 1.00 43.21 H new ATOM 0 HB3 GLU A 145 2.614 -15.231 -4.671 1.00 43.21 H new ATOM 0 HG2 GLU A 145 2.804 -12.860 -2.801 1.00 21.32 H new ATOM 0 HG3 GLU A 145 1.348 -13.735 -3.231 1.00 21.32 H new ATOM 2186 N THR A 146 5.409 -14.149 -6.493 1.00 15.01 N ATOM 2187 CA THR A 146 5.964 -14.528 -7.761 1.00 53.13 C ATOM 2188 C THR A 146 7.416 -14.969 -7.554 1.00 13.44 C ATOM 2189 O THR A 146 7.833 -16.047 -8.000 1.00 2.34 O ATOM 2190 CB THR A 146 5.913 -13.329 -8.729 1.00 71.42 C ATOM 2191 OG1 THR A 146 4.564 -12.850 -8.811 1.00 45.25 O ATOM 2192 CG2 THR A 146 6.396 -13.724 -10.120 1.00 15.40 C ATOM 0 H THR A 146 5.275 -13.145 -6.377 1.00 15.01 H new ATOM 0 HA THR A 146 5.388 -15.350 -8.187 1.00 53.13 H new ATOM 0 HB THR A 146 6.570 -12.547 -8.349 1.00 71.42 H new ATOM 0 HG1 THR A 146 4.525 -12.086 -9.424 1.00 45.25 H new ATOM 0 HG21 THR A 146 6.349 -12.859 -10.781 1.00 15.40 H new ATOM 0 HG22 THR A 146 7.425 -14.080 -10.061 1.00 15.40 H new ATOM 0 HG23 THR A 146 5.760 -14.517 -10.514 1.00 15.40 H new ATOM 2200 N PHE A 147 8.161 -14.155 -6.823 1.00 23.23 N ATOM 2201 CA PHE A 147 9.551 -14.440 -6.524 1.00 24.20 C ATOM 2202 C PHE A 147 9.738 -15.637 -5.645 1.00 13.51 C ATOM 2203 O PHE A 147 10.738 -16.294 -5.736 1.00 12.31 O ATOM 2204 CB PHE A 147 10.326 -13.225 -6.032 1.00 5.51 C ATOM 2205 CG PHE A 147 10.600 -12.264 -7.136 1.00 70.54 C ATOM 2206 CD1 PHE A 147 11.514 -12.604 -8.115 1.00 61.32 C ATOM 2207 CD2 PHE A 147 9.960 -11.038 -7.213 1.00 64.43 C ATOM 2208 CE1 PHE A 147 11.789 -11.760 -9.149 1.00 63.11 C ATOM 2209 CE2 PHE A 147 10.232 -10.171 -8.255 1.00 74.42 C ATOM 2210 CZ PHE A 147 11.151 -10.535 -9.228 1.00 54.14 C ATOM 0 H PHE A 147 7.819 -13.282 -6.423 1.00 23.23 H new ATOM 0 HA PHE A 147 9.994 -14.705 -7.484 1.00 24.20 H new ATOM 0 HB2 PHE A 147 9.759 -12.725 -5.246 1.00 5.51 H new ATOM 0 HB3 PHE A 147 11.268 -13.549 -5.589 1.00 5.51 H new ATOM 0 HD1 PHE A 147 12.020 -13.557 -8.060 1.00 61.32 H new ATOM 0 HD2 PHE A 147 9.244 -10.758 -6.454 1.00 64.43 H new ATOM 0 HE1 PHE A 147 12.504 -12.047 -9.906 1.00 63.11 H new ATOM 0 HE2 PHE A 147 9.732 -9.216 -8.311 1.00 74.42 H new ATOM 0 HZ PHE A 147 11.368 -9.864 -10.046 1.00 54.14 H new ATOM 2220 N LYS A 148 8.767 -15.911 -4.814 1.00 33.22 N ATOM 2221 CA LYS A 148 8.768 -17.052 -3.909 1.00 41.54 C ATOM 2222 C LYS A 148 9.042 -18.328 -4.686 1.00 24.50 C ATOM 2223 O LYS A 148 9.909 -19.111 -4.321 1.00 32.43 O ATOM 2224 CB LYS A 148 7.379 -17.166 -3.263 1.00 45.32 C ATOM 2225 CG LYS A 148 7.180 -18.372 -2.368 1.00 12.42 C ATOM 2226 CD LYS A 148 5.752 -18.437 -1.874 1.00 4.24 C ATOM 2227 CE LYS A 148 5.517 -19.663 -1.022 1.00 53.21 C ATOM 2228 NZ LYS A 148 4.112 -19.763 -0.584 1.00 22.23 N ATOM 0 H LYS A 148 7.927 -15.337 -4.739 1.00 33.22 H new ATOM 0 HA LYS A 148 9.539 -16.913 -3.151 1.00 41.54 H new ATOM 0 HB2 LYS A 148 7.193 -16.265 -2.678 1.00 45.32 H new ATOM 0 HB3 LYS A 148 6.629 -17.193 -4.054 1.00 45.32 H new ATOM 0 HG2 LYS A 148 7.423 -19.282 -2.916 1.00 12.42 H new ATOM 0 HG3 LYS A 148 7.862 -18.319 -1.520 1.00 12.42 H new ATOM 0 HD2 LYS A 148 5.525 -17.541 -1.296 1.00 4.24 H new ATOM 0 HD3 LYS A 148 5.071 -18.448 -2.725 1.00 4.24 H new ATOM 0 HE2 LYS A 148 5.786 -20.556 -1.587 1.00 53.21 H new ATOM 0 HE3 LYS A 148 6.169 -19.630 -0.149 1.00 53.21 H new ATOM 0 HZ1 LYS A 148 3.990 -20.616 -0.002 1.00 22.23 H new ATOM 0 HZ2 LYS A 148 3.862 -18.923 -0.024 1.00 22.23 H new ATOM 0 HZ3 LYS A 148 3.492 -19.820 -1.417 1.00 22.23 H new ATOM 2242 N LYS A 149 8.336 -18.488 -5.785 1.00 1.22 N ATOM 2243 CA LYS A 149 8.460 -19.664 -6.607 1.00 24.24 C ATOM 2244 C LYS A 149 9.821 -19.634 -7.313 1.00 12.44 C ATOM 2245 O LYS A 149 10.491 -20.639 -7.416 1.00 71.43 O ATOM 2246 CB LYS A 149 7.266 -19.700 -7.603 1.00 13.33 C ATOM 2247 CG LYS A 149 7.076 -20.967 -8.470 1.00 75.02 C ATOM 2248 CD LYS A 149 8.159 -21.166 -9.525 1.00 30.12 C ATOM 2249 CE LYS A 149 7.840 -22.350 -10.425 1.00 73.15 C ATOM 2250 NZ LYS A 149 6.589 -22.138 -11.190 1.00 33.13 N ATOM 0 H LYS A 149 7.662 -17.805 -6.130 1.00 1.22 H new ATOM 0 HA LYS A 149 8.422 -20.577 -6.012 1.00 24.24 H new ATOM 0 HB2 LYS A 149 6.351 -19.547 -7.031 1.00 13.33 H new ATOM 0 HB3 LYS A 149 7.368 -18.848 -8.276 1.00 13.33 H new ATOM 0 HG2 LYS A 149 7.053 -21.840 -7.818 1.00 75.02 H new ATOM 0 HG3 LYS A 149 6.106 -20.914 -8.965 1.00 75.02 H new ATOM 0 HD2 LYS A 149 8.253 -20.263 -10.128 1.00 30.12 H new ATOM 0 HD3 LYS A 149 9.121 -21.325 -9.037 1.00 30.12 H new ATOM 0 HE2 LYS A 149 8.666 -22.513 -11.117 1.00 73.15 H new ATOM 0 HE3 LYS A 149 7.748 -23.252 -9.820 1.00 73.15 H new ATOM 0 HZ1 LYS A 149 6.567 -22.784 -12.005 1.00 33.13 H new ATOM 0 HZ2 LYS A 149 5.771 -22.326 -10.576 1.00 33.13 H new ATOM 0 HZ3 LYS A 149 6.550 -21.155 -11.527 1.00 33.13 H new ATOM 2264 N ILE A 150 10.221 -18.466 -7.746 1.00 41.53 N ATOM 2265 CA ILE A 150 11.478 -18.292 -8.461 1.00 30.13 C ATOM 2266 C ILE A 150 12.705 -18.546 -7.546 1.00 2.14 C ATOM 2267 O ILE A 150 13.577 -19.362 -7.865 1.00 44.03 O ATOM 2268 CB ILE A 150 11.561 -16.861 -9.089 1.00 61.43 C ATOM 2269 CG1 ILE A 150 10.368 -16.644 -10.041 1.00 63.34 C ATOM 2270 CG2 ILE A 150 12.881 -16.667 -9.831 1.00 20.21 C ATOM 2271 CD1 ILE A 150 10.296 -15.258 -10.646 1.00 32.44 C ATOM 0 H ILE A 150 9.691 -17.604 -7.618 1.00 41.53 H new ATOM 0 HA ILE A 150 11.500 -19.034 -9.259 1.00 30.13 H new ATOM 0 HB ILE A 150 11.518 -16.123 -8.288 1.00 61.43 H new ATOM 0 HG12 ILE A 150 10.423 -17.376 -10.846 1.00 63.34 H new ATOM 0 HG13 ILE A 150 9.444 -16.838 -9.496 1.00 63.34 H new ATOM 0 HG21 ILE A 150 12.914 -15.665 -10.258 1.00 20.21 H new ATOM 0 HG22 ILE A 150 13.711 -16.793 -9.136 1.00 20.21 H new ATOM 0 HG23 ILE A 150 12.961 -17.405 -10.629 1.00 20.21 H new ATOM 0 HD11 ILE A 150 9.428 -15.192 -11.302 1.00 32.44 H new ATOM 0 HD12 ILE A 150 10.207 -14.518 -9.851 1.00 32.44 H new ATOM 0 HD13 ILE A 150 11.201 -15.065 -11.222 1.00 32.44 H new ATOM 2283 N MET A 151 12.741 -17.881 -6.407 1.00 14.45 N ATOM 2284 CA MET A 151 13.891 -17.948 -5.513 1.00 72.21 C ATOM 2285 C MET A 151 13.973 -19.239 -4.707 1.00 61.21 C ATOM 2286 O MET A 151 15.059 -19.789 -4.560 1.00 51.24 O ATOM 2287 CB MET A 151 14.021 -16.697 -4.621 1.00 10.32 C ATOM 2288 CG MET A 151 12.880 -16.445 -3.656 1.00 10.31 C ATOM 2289 SD MET A 151 13.062 -14.876 -2.784 1.00 22.11 S ATOM 2290 CE MET A 151 11.580 -14.874 -1.779 1.00 51.34 C ATOM 0 H MET A 151 11.984 -17.284 -6.074 1.00 14.45 H new ATOM 0 HA MET A 151 14.759 -17.962 -6.172 1.00 72.21 H new ATOM 0 HB2 MET A 151 14.944 -16.779 -4.047 1.00 10.32 H new ATOM 0 HB3 MET A 151 14.124 -15.825 -5.266 1.00 10.32 H new ATOM 0 HG2 MET A 151 11.937 -16.448 -4.202 1.00 10.31 H new ATOM 0 HG3 MET A 151 12.832 -17.258 -2.932 1.00 10.31 H new ATOM 0 HE1 MET A 151 11.548 -13.964 -1.180 1.00 51.34 H new ATOM 0 HE2 MET A 151 10.703 -14.915 -2.424 1.00 51.34 H new ATOM 0 HE3 MET A 151 11.586 -15.742 -1.120 1.00 51.34 H new ATOM 2300 N GLU A 152 12.839 -19.744 -4.205 1.00 45.40 N ATOM 2301 CA GLU A 152 12.861 -20.980 -3.413 1.00 4.23 C ATOM 2302 C GLU A 152 13.339 -22.174 -4.200 1.00 51.20 C ATOM 2303 O GLU A 152 13.927 -23.077 -3.646 1.00 35.41 O ATOM 2304 CB GLU A 152 11.541 -21.271 -2.709 1.00 12.11 C ATOM 2305 CG GLU A 152 11.266 -20.368 -1.526 1.00 24.33 C ATOM 2306 CD GLU A 152 12.324 -20.511 -0.447 1.00 74.54 C ATOM 2307 OE1 GLU A 152 12.272 -21.492 0.333 1.00 42.54 O ATOM 2308 OE2 GLU A 152 13.206 -19.650 -0.348 1.00 52.35 O ATOM 0 H GLU A 152 11.916 -19.328 -4.329 1.00 45.40 H new ATOM 0 HA GLU A 152 13.597 -20.796 -2.631 1.00 4.23 H new ATOM 0 HB2 GLU A 152 10.727 -21.171 -3.427 1.00 12.11 H new ATOM 0 HB3 GLU A 152 11.541 -22.307 -2.371 1.00 12.11 H new ATOM 0 HG2 GLU A 152 11.227 -19.332 -1.862 1.00 24.33 H new ATOM 0 HG3 GLU A 152 10.287 -20.605 -1.108 1.00 24.33 H new ATOM 2315 N CYS A 153 13.092 -22.170 -5.479 1.00 71.12 N ATOM 2316 CA CYS A 153 13.540 -23.241 -6.345 1.00 1.42 C ATOM 2317 C CYS A 153 15.061 -23.214 -6.554 1.00 71.12 C ATOM 2318 O CYS A 153 15.680 -24.242 -6.789 1.00 42.55 O ATOM 2319 CB CYS A 153 12.772 -23.231 -7.638 1.00 42.11 C ATOM 2320 SG CYS A 153 11.000 -23.451 -7.385 1.00 43.33 S ATOM 0 H CYS A 153 12.577 -21.430 -5.957 1.00 71.12 H new ATOM 0 HA CYS A 153 13.328 -24.189 -5.851 1.00 1.42 H new ATOM 0 HB2 CYS A 153 12.948 -22.288 -8.155 1.00 42.11 H new ATOM 0 HB3 CYS A 153 13.145 -24.024 -8.286 1.00 42.11 H new ATOM 0 HG CYS A 153 10.435 -22.289 -7.239 1.00 43.33 H new ATOM 2326 N LYS A 154 15.647 -22.033 -6.503 1.00 4.43 N ATOM 2327 CA LYS A 154 17.097 -21.901 -6.592 1.00 44.33 C ATOM 2328 C LYS A 154 17.708 -22.276 -5.243 1.00 71.20 C ATOM 2329 O LYS A 154 18.744 -22.938 -5.157 1.00 1.14 O ATOM 2330 CB LYS A 154 17.459 -20.469 -6.930 1.00 71.31 C ATOM 2331 CG LYS A 154 16.849 -19.985 -8.222 1.00 3.00 C ATOM 2332 CD LYS A 154 17.314 -18.595 -8.528 1.00 45.42 C ATOM 2333 CE LYS A 154 16.673 -18.054 -9.796 1.00 25.23 C ATOM 2334 NZ LYS A 154 17.142 -16.688 -10.114 1.00 60.11 N ATOM 0 H LYS A 154 15.146 -21.150 -6.401 1.00 4.43 H new ATOM 0 HA LYS A 154 17.481 -22.559 -7.371 1.00 44.33 H new ATOM 0 HB2 LYS A 154 17.134 -19.819 -6.118 1.00 71.31 H new ATOM 0 HB3 LYS A 154 18.544 -20.382 -6.994 1.00 71.31 H new ATOM 0 HG2 LYS A 154 17.125 -20.655 -9.036 1.00 3.00 H new ATOM 0 HG3 LYS A 154 15.762 -20.004 -8.148 1.00 3.00 H new ATOM 0 HD2 LYS A 154 17.075 -17.939 -7.691 1.00 45.42 H new ATOM 0 HD3 LYS A 154 18.398 -18.590 -8.638 1.00 45.42 H new ATOM 0 HE2 LYS A 154 16.901 -18.719 -10.629 1.00 25.23 H new ATOM 0 HE3 LYS A 154 15.589 -18.048 -9.680 1.00 25.23 H new ATOM 0 HZ1 LYS A 154 16.681 -16.357 -10.985 1.00 60.11 H new ATOM 0 HZ2 LYS A 154 16.902 -16.048 -9.330 1.00 60.11 H new ATOM 0 HZ3 LYS A 154 18.173 -16.698 -10.250 1.00 60.11 H new