USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 598 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 29 SER OG : rot -19:sc= 0.739 USER MOD Set 1.2: A 30 HIS : no HE2:sc= -2.4 K(o=-1.7,f=-3.1!) USER MOD Set 2.1: A 28 TYR OH : rot -130:sc= 1.5 USER MOD Set 2.2: A 32 LYS NZ :NH3+ -144:sc= 0.0957 (180deg=-0.00664) USER MOD Single : A 7 LYS NZ :NH3+ -116:sc= -2.83! (180deg=-4.17!) USER MOD Single : A 13 LYS NZ :NH3+ 178:sc= 0.959 (180deg=0.83) USER MOD Single : A 14 HIS : no HE2:sc= -0.926! C(o=-0.93!,f=-5.9!) USER MOD Single : A 16 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.36) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -128:sc= -2.8! (180deg=-7.79!) USER MOD Single : A 24 MET CE :methyl 154:sc= -0.27 (180deg=-1.23) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.372 K(o=-0.37,f=-5.4!) USER MOD Single : A 35 THR OG1 : rot -96:sc= 1.03 USER MOD Single : A 40 ASN : amide:sc= 0.302 K(o=0.3,f=-5.3!) USER MOD Single : A 41 THR OG1 : rot 103:sc= 0.301 USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0147) USER MOD Single : A 54 LYS NZ :NH3+ -130:sc= -3.59! (180deg=-5.9!) USER MOD Single : A 59 ASN : amide:sc= -0.95 K(o=-0.95,f=-5.2!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 114:sc= 0.783 USER MOD Single : A 66 LYS NZ :NH3+ -125:sc= -2.95! (180deg=-3.5!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -122:sc= -6.6! (180deg=-8.52!) USER MOD Single : A 73 TYR OH : rot 84:sc= -2.23! USER MOD Single : A 76 LYS NZ :NH3+ -108:sc= -2.91! (180deg=-6.72!) USER MOD Single : A 81 LYS NZ :NH3+ -121:sc= 0.116 (180deg=-5.39!) USER MOD Single : A 82 LYS NZ :NH3+ -143:sc= -1.85 (180deg=-3.72!) USER MOD Single : A 83 LYS NZ :NH3+ -166:sc= 0.503 (180deg=0.321) USER MOD Single : A 84 TYR OH : rot 179:sc= 1.41 USER MOD ----------------------------------------------------------------- ATOM 41 N GLU A 4 5.551 1.171 -0.555 1.00 0.86 N ATOM 42 CA GLU A 4 6.487 0.093 -0.242 1.00 0.87 C ATOM 43 C GLU A 4 7.580 0.086 -1.229 1.00 0.55 C ATOM 44 O GLU A 4 8.678 -0.306 -0.918 1.00 0.66 O ATOM 45 CB GLU A 4 5.661 -1.185 -0.201 1.00 1.02 C ATOM 46 CG GLU A 4 5.008 -1.329 1.227 1.00 1.30 C ATOM 47 CD GLU A 4 4.627 0.019 1.855 1.00 1.71 C ATOM 48 OE1 GLU A 4 3.559 0.508 1.535 1.00 1.40 O ATOM 49 OE2 GLU A 4 5.472 0.469 2.616 1.00 3.02 O ATOM 0 HA GLU A 4 6.982 0.213 0.721 1.00 0.87 H new ATOM 0 HB2 GLU A 4 4.887 -1.158 -0.968 1.00 1.02 H new ATOM 0 HB3 GLU A 4 6.292 -2.048 -0.415 1.00 1.02 H new ATOM 0 HG2 GLU A 4 4.117 -1.952 1.151 1.00 1.30 H new ATOM 0 HG3 GLU A 4 5.704 -1.847 1.887 1.00 1.30 H new ATOM 56 N PHE A 5 7.249 0.567 -2.378 1.00 0.31 N ATOM 57 CA PHE A 5 8.252 0.602 -3.436 1.00 0.17 C ATOM 58 C PHE A 5 9.080 1.911 -3.375 1.00 0.18 C ATOM 59 O PHE A 5 10.285 1.861 -3.438 1.00 0.34 O ATOM 60 CB PHE A 5 7.408 0.413 -4.643 1.00 0.16 C ATOM 61 CG PHE A 5 8.310 0.752 -5.811 1.00 0.12 C ATOM 62 CD1 PHE A 5 8.524 2.063 -6.109 1.00 1.11 C ATOM 63 CD2 PHE A 5 8.943 -0.237 -6.520 1.00 1.28 C ATOM 64 CE1 PHE A 5 9.381 2.394 -7.124 1.00 1.14 C ATOM 65 CE2 PHE A 5 9.811 0.063 -7.542 1.00 1.30 C ATOM 66 CZ PHE A 5 10.026 1.400 -7.842 1.00 0.24 C ATOM 0 H PHE A 5 6.330 0.935 -2.624 1.00 0.31 H new ATOM 0 HA PHE A 5 9.037 -0.152 -3.384 1.00 0.17 H new ATOM 0 HB2 PHE A 5 7.042 -0.611 -4.712 1.00 0.16 H new ATOM 0 HB3 PHE A 5 6.533 1.063 -4.618 1.00 0.16 H new ATOM 0 HD1 PHE A 5 8.021 2.837 -5.548 1.00 1.11 H new ATOM 0 HD2 PHE A 5 8.756 -1.271 -6.270 1.00 1.28 H new ATOM 0 HE1 PHE A 5 9.555 3.432 -7.366 1.00 1.14 H new ATOM 0 HE2 PHE A 5 10.311 -0.719 -8.095 1.00 1.30 H new ATOM 0 HZ PHE A 5 10.701 1.668 -8.641 1.00 0.24 H new ATOM 76 N ASP A 6 8.464 3.047 -3.262 1.00 0.11 N ATOM 77 CA ASP A 6 9.180 4.358 -3.187 1.00 0.19 C ATOM 78 C ASP A 6 10.110 4.355 -1.977 1.00 0.34 C ATOM 79 O ASP A 6 11.290 4.660 -1.983 1.00 0.38 O ATOM 80 CB ASP A 6 8.066 5.368 -3.102 1.00 0.20 C ATOM 81 CG ASP A 6 7.124 5.145 -4.267 1.00 0.17 C ATOM 82 OD1 ASP A 6 6.273 4.300 -4.066 1.00 1.29 O ATOM 83 OD2 ASP A 6 7.320 5.800 -5.267 1.00 1.01 O ATOM 0 H ASP A 6 7.448 3.130 -3.216 1.00 0.11 H new ATOM 0 HA ASP A 6 9.827 4.579 -4.036 1.00 0.19 H new ATOM 0 HB2 ASP A 6 7.532 5.264 -2.158 1.00 0.20 H new ATOM 0 HB3 ASP A 6 8.470 6.380 -3.130 1.00 0.20 H new ATOM 88 N LYS A 7 9.450 3.970 -0.924 1.00 0.40 N ATOM 89 CA LYS A 7 10.127 3.866 0.385 1.00 0.56 C ATOM 90 C LYS A 7 11.269 2.894 0.099 1.00 0.43 C ATOM 91 O LYS A 7 12.395 3.206 0.407 1.00 0.43 O ATOM 92 CB LYS A 7 9.147 3.313 1.385 1.00 0.72 C ATOM 93 CG LYS A 7 9.782 3.415 2.779 1.00 1.17 C ATOM 94 CD LYS A 7 8.789 2.874 3.838 1.00 0.79 C ATOM 95 CE LYS A 7 8.791 1.337 3.907 1.00 0.77 C ATOM 96 NZ LYS A 7 7.994 0.802 2.766 1.00 2.62 N ATOM 0 H LYS A 7 8.461 3.721 -0.919 1.00 0.40 H new ATOM 0 HA LYS A 7 10.491 4.807 0.797 1.00 0.56 H new ATOM 0 HB2 LYS A 7 8.212 3.872 1.351 1.00 0.72 H new ATOM 0 HB3 LYS A 7 8.908 2.276 1.150 1.00 0.72 H new ATOM 0 HG2 LYS A 7 10.710 2.845 2.810 1.00 1.17 H new ATOM 0 HG3 LYS A 7 10.037 4.452 3.000 1.00 1.17 H new ATOM 0 HD2 LYS A 7 9.047 3.280 4.816 1.00 0.79 H new ATOM 0 HD3 LYS A 7 7.784 3.224 3.603 1.00 0.79 H new ATOM 0 HE2 LYS A 7 9.812 0.959 3.864 1.00 0.77 H new ATOM 0 HE3 LYS A 7 8.367 1.001 4.853 1.00 0.77 H new ATOM 0 HZ1 LYS A 7 7.161 0.298 3.131 1.00 2.62 H new ATOM 0 HZ2 LYS A 7 7.685 1.588 2.160 1.00 2.62 H new ATOM 0 HZ3 LYS A 7 8.580 0.146 2.211 1.00 2.62 H new ATOM 110 N ALA A 8 10.972 1.750 -0.477 1.00 0.34 N ATOM 111 CA ALA A 8 12.058 0.772 -0.792 1.00 0.25 C ATOM 112 C ALA A 8 13.185 1.545 -1.509 1.00 0.19 C ATOM 113 O ALA A 8 14.306 1.514 -1.070 1.00 0.21 O ATOM 114 CB ALA A 8 11.487 -0.330 -1.679 1.00 0.24 C ATOM 0 H ALA A 8 10.031 1.456 -0.740 1.00 0.34 H new ATOM 0 HA ALA A 8 12.457 0.306 0.109 1.00 0.25 H new ATOM 0 HB1 ALA A 8 12.271 -1.050 -1.915 1.00 0.24 H new ATOM 0 HB2 ALA A 8 10.676 -0.836 -1.155 1.00 0.24 H new ATOM 0 HB3 ALA A 8 11.105 0.107 -2.602 1.00 0.24 H new ATOM 120 N ALA A 9 12.878 2.217 -2.587 1.00 0.15 N ATOM 121 CA ALA A 9 13.900 3.012 -3.346 1.00 0.16 C ATOM 122 C ALA A 9 14.802 3.895 -2.472 1.00 0.26 C ATOM 123 O ALA A 9 15.960 4.097 -2.793 1.00 0.43 O ATOM 124 CB ALA A 9 13.179 3.886 -4.347 1.00 0.22 C ATOM 0 H ALA A 9 11.940 2.251 -2.986 1.00 0.15 H new ATOM 0 HA ALA A 9 14.561 2.289 -3.825 1.00 0.16 H new ATOM 0 HB1 ALA A 9 13.906 4.472 -4.909 1.00 0.22 H new ATOM 0 HB2 ALA A 9 12.610 3.259 -5.034 1.00 0.22 H new ATOM 0 HB3 ALA A 9 12.500 4.558 -3.821 1.00 0.22 H new ATOM 130 N GLU A 10 14.261 4.383 -1.393 1.00 0.32 N ATOM 131 CA GLU A 10 15.098 5.249 -0.514 1.00 0.47 C ATOM 132 C GLU A 10 15.813 4.215 0.331 1.00 0.27 C ATOM 133 O GLU A 10 17.027 4.225 0.383 1.00 0.24 O ATOM 134 CB GLU A 10 14.156 6.188 0.279 1.00 0.77 C ATOM 135 CG GLU A 10 13.613 7.343 -0.665 1.00 1.68 C ATOM 136 CD GLU A 10 14.707 8.129 -1.410 1.00 3.15 C ATOM 137 OE1 GLU A 10 15.458 8.836 -0.772 1.00 3.56 O ATOM 138 OE2 GLU A 10 14.763 7.989 -2.618 1.00 4.18 O ATOM 0 H GLU A 10 13.301 4.227 -1.085 1.00 0.32 H new ATOM 0 HA GLU A 10 15.807 5.917 -1.002 1.00 0.47 H new ATOM 0 HB2 GLU A 10 13.321 5.618 0.686 1.00 0.77 H new ATOM 0 HB3 GLU A 10 14.690 6.621 1.125 1.00 0.77 H new ATOM 0 HG2 GLU A 10 12.935 6.906 -1.398 1.00 1.68 H new ATOM 0 HG3 GLU A 10 13.028 8.040 -0.065 1.00 1.68 H new ATOM 145 N GLU A 11 15.068 3.341 0.947 1.00 0.25 N ATOM 146 CA GLU A 11 15.627 2.266 1.803 1.00 0.19 C ATOM 147 C GLU A 11 16.902 1.665 1.162 1.00 0.09 C ATOM 148 O GLU A 11 17.970 1.649 1.734 1.00 0.14 O ATOM 149 CB GLU A 11 14.437 1.332 1.940 1.00 0.32 C ATOM 150 CG GLU A 11 13.555 1.816 3.107 1.00 0.33 C ATOM 151 CD GLU A 11 13.360 0.783 4.211 1.00 0.27 C ATOM 152 OE1 GLU A 11 13.583 -0.385 3.965 1.00 1.16 O ATOM 153 OE2 GLU A 11 12.990 1.179 5.301 1.00 1.54 O ATOM 0 H GLU A 11 14.050 3.331 0.886 1.00 0.25 H new ATOM 0 HA GLU A 11 15.994 2.569 2.784 1.00 0.19 H new ATOM 0 HB2 GLU A 11 13.862 1.316 1.014 1.00 0.32 H new ATOM 0 HB3 GLU A 11 14.777 0.312 2.122 1.00 0.32 H new ATOM 0 HG2 GLU A 11 14.001 2.712 3.538 1.00 0.33 H new ATOM 0 HG3 GLU A 11 12.579 2.102 2.716 1.00 0.33 H new ATOM 160 N VAL A 12 16.746 1.175 -0.034 1.00 0.13 N ATOM 161 CA VAL A 12 17.799 0.565 -0.860 1.00 0.08 C ATOM 162 C VAL A 12 18.865 1.623 -1.100 1.00 0.06 C ATOM 163 O VAL A 12 20.045 1.367 -0.978 1.00 0.04 O ATOM 164 CB VAL A 12 17.092 0.090 -2.132 1.00 0.12 C ATOM 165 CG1 VAL A 12 17.183 1.020 -3.307 1.00 0.04 C ATOM 166 CG2 VAL A 12 17.608 -1.225 -2.510 1.00 0.21 C ATOM 0 H VAL A 12 15.840 1.181 -0.502 1.00 0.13 H new ATOM 0 HA VAL A 12 18.306 -0.286 -0.406 1.00 0.08 H new ATOM 0 HB VAL A 12 16.033 0.053 -1.878 1.00 0.12 H new ATOM 0 HG11 VAL A 12 16.650 0.589 -4.154 1.00 0.04 H new ATOM 0 HG12 VAL A 12 16.736 1.980 -3.047 1.00 0.04 H new ATOM 0 HG13 VAL A 12 18.229 1.168 -3.574 1.00 0.04 H new ATOM 0 HG21 VAL A 12 17.106 -1.566 -3.416 1.00 0.21 H new ATOM 0 HG22 VAL A 12 18.680 -1.156 -2.693 1.00 0.21 H new ATOM 0 HG23 VAL A 12 17.422 -1.934 -1.703 1.00 0.21 H new ATOM 176 N LYS A 13 18.454 2.816 -1.429 1.00 0.09 N ATOM 177 CA LYS A 13 19.482 3.858 -1.656 1.00 0.12 C ATOM 178 C LYS A 13 20.354 4.080 -0.395 1.00 0.21 C ATOM 179 O LYS A 13 21.430 4.649 -0.442 1.00 0.39 O ATOM 180 CB LYS A 13 18.771 5.131 -2.016 1.00 0.06 C ATOM 181 CG LYS A 13 18.705 5.258 -3.522 1.00 0.09 C ATOM 182 CD LYS A 13 18.534 6.737 -3.880 1.00 0.28 C ATOM 183 CE LYS A 13 17.139 7.129 -3.518 1.00 2.05 C ATOM 184 NZ LYS A 13 16.965 8.580 -3.792 1.00 2.84 N ATOM 0 H LYS A 13 17.483 3.105 -1.547 1.00 0.09 H new ATOM 0 HA LYS A 13 20.148 3.541 -2.458 1.00 0.12 H new ATOM 0 HB2 LYS A 13 17.766 5.131 -1.595 1.00 0.06 H new ATOM 0 HB3 LYS A 13 19.295 5.987 -1.590 1.00 0.06 H new ATOM 0 HG2 LYS A 13 19.614 4.862 -3.975 1.00 0.09 H new ATOM 0 HG3 LYS A 13 17.872 4.675 -3.915 1.00 0.09 H new ATOM 0 HD2 LYS A 13 19.256 7.348 -3.339 1.00 0.28 H new ATOM 0 HD3 LYS A 13 18.713 6.897 -4.943 1.00 0.28 H new ATOM 0 HE2 LYS A 13 16.421 6.547 -4.096 1.00 2.05 H new ATOM 0 HE3 LYS A 13 16.948 6.918 -2.466 1.00 2.05 H new ATOM 0 HZ1 LYS A 13 15.987 8.859 -3.576 1.00 2.84 H new ATOM 0 HZ2 LYS A 13 17.620 9.127 -3.198 1.00 2.84 H new ATOM 0 HZ3 LYS A 13 17.166 8.771 -4.794 1.00 2.84 H new ATOM 198 N HIS A 14 19.839 3.594 0.704 1.00 0.11 N ATOM 199 CA HIS A 14 20.549 3.726 2.005 1.00 0.18 C ATOM 200 C HIS A 14 21.263 2.422 2.378 1.00 0.18 C ATOM 201 O HIS A 14 21.705 2.266 3.501 1.00 0.24 O ATOM 202 CB HIS A 14 19.519 4.115 3.103 1.00 0.18 C ATOM 203 CG HIS A 14 18.915 5.497 2.851 1.00 0.26 C ATOM 204 ND1 HIS A 14 17.787 5.718 2.266 1.00 0.30 N ATOM 205 CD2 HIS A 14 19.386 6.759 3.155 1.00 0.34 C ATOM 206 CE1 HIS A 14 17.563 6.997 2.204 1.00 0.38 C ATOM 207 NE2 HIS A 14 18.536 7.681 2.749 1.00 0.41 N ATOM 0 H HIS A 14 18.945 3.105 0.753 1.00 0.11 H new ATOM 0 HA HIS A 14 21.309 4.503 1.920 1.00 0.18 H new ATOM 0 HB2 HIS A 14 18.723 3.371 3.135 1.00 0.18 H new ATOM 0 HB3 HIS A 14 20.006 4.103 4.078 1.00 0.18 H new ATOM 0 HD1 HIS A 14 17.163 4.996 1.905 1.00 0.30 H new ATOM 0 HD2 HIS A 14 20.321 6.962 3.656 1.00 0.34 H new ATOM 0 HE1 HIS A 14 16.684 7.439 1.759 1.00 0.38 H new ATOM 215 N LEU A 15 21.367 1.492 1.459 1.00 0.22 N ATOM 216 CA LEU A 15 22.059 0.215 1.730 1.00 0.28 C ATOM 217 C LEU A 15 23.516 0.572 1.876 1.00 0.39 C ATOM 218 O LEU A 15 24.262 0.409 0.935 1.00 0.71 O ATOM 219 CB LEU A 15 21.867 -0.675 0.558 1.00 0.30 C ATOM 220 CG LEU A 15 20.460 -1.085 0.444 1.00 0.24 C ATOM 221 CD1 LEU A 15 20.330 -1.690 -0.927 1.00 0.35 C ATOM 222 CD2 LEU A 15 20.098 -2.115 1.467 1.00 0.24 C ATOM 0 H LEU A 15 20.989 1.577 0.515 1.00 0.22 H new ATOM 0 HA LEU A 15 21.685 -0.294 2.619 1.00 0.28 H new ATOM 0 HB2 LEU A 15 22.176 -0.159 -0.351 1.00 0.30 H new ATOM 0 HB3 LEU A 15 22.501 -1.556 0.656 1.00 0.30 H new ATOM 0 HG LEU A 15 19.800 -0.232 0.602 1.00 0.24 H new ATOM 0 HD11 LEU A 15 19.303 -2.020 -1.083 1.00 0.35 H new ATOM 0 HD12 LEU A 15 20.591 -0.946 -1.679 1.00 0.35 H new ATOM 0 HD13 LEU A 15 21.002 -2.544 -1.013 1.00 0.35 H new ATOM 0 HD21 LEU A 15 19.050 -2.392 1.350 1.00 0.24 H new ATOM 0 HD22 LEU A 15 20.724 -2.997 1.332 1.00 0.24 H new ATOM 0 HD23 LEU A 15 20.256 -1.707 2.465 1.00 0.24 H new ATOM 234 N LYS A 16 23.852 1.066 3.035 1.00 0.44 N ATOM 235 CA LYS A 16 25.242 1.479 3.385 1.00 0.50 C ATOM 236 C LYS A 16 26.373 0.851 2.570 1.00 0.41 C ATOM 237 O LYS A 16 27.393 1.471 2.354 1.00 0.58 O ATOM 238 CB LYS A 16 25.436 1.184 4.889 1.00 0.57 C ATOM 239 CG LYS A 16 24.716 2.250 5.775 1.00 1.30 C ATOM 240 CD LYS A 16 23.366 1.725 6.406 1.00 2.04 C ATOM 241 CE LYS A 16 23.483 0.387 7.182 1.00 1.81 C ATOM 242 NZ LYS A 16 24.747 0.407 7.989 1.00 0.94 N ATOM 0 H LYS A 16 23.184 1.207 3.792 1.00 0.44 H new ATOM 0 HA LYS A 16 25.322 2.537 3.137 1.00 0.50 H new ATOM 0 HB2 LYS A 16 25.046 0.193 5.120 1.00 0.57 H new ATOM 0 HB3 LYS A 16 26.500 1.171 5.125 1.00 0.57 H new ATOM 0 HG2 LYS A 16 25.387 2.561 6.576 1.00 1.30 H new ATOM 0 HG3 LYS A 16 24.508 3.134 5.172 1.00 1.30 H new ATOM 0 HD2 LYS A 16 22.978 2.487 7.082 1.00 2.04 H new ATOM 0 HD3 LYS A 16 22.633 1.603 5.609 1.00 2.04 H new ATOM 0 HE2 LYS A 16 22.620 0.252 7.835 1.00 1.81 H new ATOM 0 HE3 LYS A 16 23.492 -0.453 6.487 1.00 1.81 H new ATOM 0 HZ1 LYS A 16 24.676 -0.285 8.762 1.00 0.94 H new ATOM 0 HZ2 LYS A 16 25.553 0.162 7.378 1.00 0.94 H new ATOM 0 HZ3 LYS A 16 24.890 1.357 8.387 1.00 0.94 H new ATOM 256 N THR A 17 26.119 -0.355 2.164 1.00 0.16 N ATOM 257 CA THR A 17 27.089 -1.143 1.374 1.00 0.09 C ATOM 258 C THR A 17 26.796 -1.716 -0.040 1.00 0.19 C ATOM 259 O THR A 17 26.313 -2.823 -0.169 1.00 0.37 O ATOM 260 CB THR A 17 27.552 -2.289 2.302 1.00 0.13 C ATOM 261 OG1 THR A 17 28.349 -1.686 3.312 1.00 0.36 O ATOM 262 CG2 THR A 17 28.470 -3.177 1.550 1.00 0.29 C ATOM 0 H THR A 17 25.244 -0.843 2.356 1.00 0.16 H new ATOM 0 HA THR A 17 27.809 -0.380 1.077 1.00 0.09 H new ATOM 0 HB THR A 17 26.695 -2.841 2.688 1.00 0.13 H new ATOM 0 HG1 THR A 17 28.668 -2.375 3.932 1.00 0.36 H new ATOM 0 HG21 THR A 17 28.802 -3.989 2.197 1.00 0.29 H new ATOM 0 HG22 THR A 17 27.950 -3.591 0.686 1.00 0.29 H new ATOM 0 HG23 THR A 17 29.334 -2.605 1.213 1.00 0.29 H new ATOM 270 N LYS A 18 27.060 -0.934 -1.057 1.00 0.08 N ATOM 271 CA LYS A 18 26.898 -1.296 -2.508 1.00 0.14 C ATOM 272 C LYS A 18 26.769 -2.832 -2.702 1.00 0.19 C ATOM 273 O LYS A 18 27.761 -3.504 -2.905 1.00 0.24 O ATOM 274 CB LYS A 18 28.155 -0.683 -3.211 1.00 0.12 C ATOM 275 CG LYS A 18 28.244 -1.065 -4.706 1.00 1.02 C ATOM 276 CD LYS A 18 29.449 -2.022 -4.935 1.00 1.10 C ATOM 277 CE LYS A 18 29.336 -2.648 -6.308 1.00 2.51 C ATOM 278 NZ LYS A 18 28.125 -3.512 -6.295 1.00 3.09 N ATOM 0 H LYS A 18 27.409 0.016 -0.929 1.00 0.08 H new ATOM 0 HA LYS A 18 25.979 -0.900 -2.941 1.00 0.14 H new ATOM 0 HB2 LYS A 18 28.126 0.403 -3.118 1.00 0.12 H new ATOM 0 HB3 LYS A 18 29.055 -1.022 -2.699 1.00 0.12 H new ATOM 0 HG2 LYS A 18 27.319 -1.547 -5.023 1.00 1.02 H new ATOM 0 HG3 LYS A 18 28.360 -0.168 -5.314 1.00 1.02 H new ATOM 0 HD2 LYS A 18 30.386 -1.472 -4.849 1.00 1.10 H new ATOM 0 HD3 LYS A 18 29.463 -2.797 -4.169 1.00 1.10 H new ATOM 0 HE2 LYS A 18 29.253 -1.879 -7.076 1.00 2.51 H new ATOM 0 HE3 LYS A 18 30.225 -3.234 -6.539 1.00 2.51 H new ATOM 0 HZ1 LYS A 18 28.375 -4.465 -6.629 1.00 3.09 H new ATOM 0 HZ2 LYS A 18 27.752 -3.572 -5.326 1.00 3.09 H new ATOM 0 HZ3 LYS A 18 27.401 -3.104 -6.921 1.00 3.09 H new ATOM 292 N PRO A 19 25.564 -3.340 -2.636 1.00 0.21 N ATOM 293 CA PRO A 19 25.296 -4.792 -2.787 1.00 0.21 C ATOM 294 C PRO A 19 25.947 -5.501 -3.981 1.00 0.22 C ATOM 295 O PRO A 19 26.529 -4.872 -4.849 1.00 0.24 O ATOM 296 CB PRO A 19 23.783 -4.817 -2.782 1.00 0.19 C ATOM 297 CG PRO A 19 23.433 -3.612 -1.861 1.00 0.24 C ATOM 298 CD PRO A 19 24.330 -2.548 -2.400 1.00 0.24 C ATOM 0 HA PRO A 19 25.760 -5.379 -1.995 1.00 0.21 H new ATOM 0 HB2 PRO A 19 23.371 -4.696 -3.784 1.00 0.19 H new ATOM 0 HB3 PRO A 19 23.393 -5.756 -2.389 1.00 0.19 H new ATOM 0 HG2 PRO A 19 22.381 -3.335 -1.932 1.00 0.24 H new ATOM 0 HG3 PRO A 19 23.637 -3.826 -0.812 1.00 0.24 H new ATOM 0 HD2 PRO A 19 23.942 -2.101 -3.315 1.00 0.24 H new ATOM 0 HD3 PRO A 19 24.486 -1.736 -1.690 1.00 0.24 H new ATOM 306 N ALA A 20 25.849 -6.805 -4.021 1.00 0.21 N ATOM 307 CA ALA A 20 26.469 -7.528 -5.181 1.00 0.23 C ATOM 308 C ALA A 20 25.849 -6.880 -6.437 1.00 0.17 C ATOM 309 O ALA A 20 24.637 -6.788 -6.554 1.00 0.15 O ATOM 310 CB ALA A 20 26.111 -9.000 -5.104 1.00 0.21 C ATOM 0 H ALA A 20 25.383 -7.389 -3.327 1.00 0.21 H new ATOM 0 HA ALA A 20 27.557 -7.457 -5.191 1.00 0.23 H new ATOM 0 HB1 ALA A 20 26.560 -9.528 -5.945 1.00 0.21 H new ATOM 0 HB2 ALA A 20 26.488 -9.418 -4.170 1.00 0.21 H new ATOM 0 HB3 ALA A 20 25.028 -9.113 -5.141 1.00 0.21 H new ATOM 316 N ASP A 21 26.664 -6.431 -7.355 1.00 0.14 N ATOM 317 CA ASP A 21 26.065 -5.796 -8.562 1.00 0.15 C ATOM 318 C ASP A 21 24.906 -6.631 -9.125 1.00 0.16 C ATOM 319 O ASP A 21 23.935 -6.019 -9.485 1.00 0.29 O ATOM 320 CB ASP A 21 27.230 -5.561 -9.543 1.00 0.15 C ATOM 321 CG ASP A 21 28.142 -4.564 -8.835 1.00 0.28 C ATOM 322 OD1 ASP A 21 27.879 -3.371 -8.951 1.00 1.59 O ATOM 323 OD2 ASP A 21 29.039 -5.067 -8.177 1.00 1.08 O ATOM 0 H ASP A 21 27.683 -6.474 -7.325 1.00 0.14 H new ATOM 0 HA ASP A 21 25.593 -4.840 -8.336 1.00 0.15 H new ATOM 0 HB2 ASP A 21 27.755 -6.490 -9.763 1.00 0.15 H new ATOM 0 HB3 ASP A 21 26.873 -5.164 -10.493 1.00 0.15 H new ATOM 328 N GLU A 22 24.961 -7.936 -9.203 1.00 0.13 N ATOM 329 CA GLU A 22 23.794 -8.710 -9.742 1.00 0.13 C ATOM 330 C GLU A 22 22.480 -8.396 -8.961 1.00 0.15 C ATOM 331 O GLU A 22 21.398 -8.358 -9.524 1.00 0.21 O ATOM 332 CB GLU A 22 24.142 -10.227 -9.659 1.00 0.22 C ATOM 333 CG GLU A 22 25.329 -10.568 -10.619 1.00 0.28 C ATOM 334 CD GLU A 22 25.672 -12.078 -10.610 1.00 0.57 C ATOM 335 OE1 GLU A 22 24.798 -12.836 -11.002 1.00 1.60 O ATOM 336 OE2 GLU A 22 26.787 -12.397 -10.218 1.00 0.80 O ATOM 0 H GLU A 22 25.761 -8.501 -8.918 1.00 0.13 H new ATOM 0 HA GLU A 22 23.614 -8.419 -10.777 1.00 0.13 H new ATOM 0 HB2 GLU A 22 24.407 -10.490 -8.635 1.00 0.22 H new ATOM 0 HB3 GLU A 22 23.268 -10.822 -9.925 1.00 0.22 H new ATOM 0 HG2 GLU A 22 25.074 -10.261 -11.633 1.00 0.28 H new ATOM 0 HG3 GLU A 22 26.208 -9.995 -10.324 1.00 0.28 H new ATOM 343 N GLU A 23 22.602 -8.148 -7.679 1.00 0.11 N ATOM 344 CA GLU A 23 21.396 -7.837 -6.833 1.00 0.09 C ATOM 345 C GLU A 23 21.005 -6.379 -7.106 1.00 0.11 C ATOM 346 O GLU A 23 19.836 -6.044 -7.241 1.00 0.09 O ATOM 347 CB GLU A 23 21.730 -7.996 -5.312 1.00 0.09 C ATOM 348 CG GLU A 23 22.151 -9.455 -4.991 1.00 0.08 C ATOM 349 CD GLU A 23 22.508 -9.651 -3.490 1.00 0.57 C ATOM 350 OE1 GLU A 23 23.176 -8.801 -2.921 1.00 1.47 O ATOM 351 OE2 GLU A 23 22.100 -10.672 -2.958 1.00 0.89 O ATOM 0 H GLU A 23 23.489 -8.147 -7.175 1.00 0.11 H new ATOM 0 HA GLU A 23 20.585 -8.522 -7.080 1.00 0.09 H new ATOM 0 HB2 GLU A 23 22.533 -7.312 -5.038 1.00 0.09 H new ATOM 0 HB3 GLU A 23 20.861 -7.723 -4.713 1.00 0.09 H new ATOM 0 HG2 GLU A 23 21.340 -10.132 -5.261 1.00 0.08 H new ATOM 0 HG3 GLU A 23 23.010 -9.726 -5.605 1.00 0.08 H new ATOM 358 N MET A 24 22.034 -5.564 -7.182 1.00 0.20 N ATOM 359 CA MET A 24 21.847 -4.118 -7.445 1.00 0.29 C ATOM 360 C MET A 24 21.054 -4.098 -8.781 1.00 0.34 C ATOM 361 O MET A 24 20.038 -3.465 -8.932 1.00 0.37 O ATOM 362 CB MET A 24 23.259 -3.543 -7.502 1.00 0.31 C ATOM 363 CG MET A 24 23.980 -3.506 -6.155 1.00 0.30 C ATOM 364 SD MET A 24 25.479 -2.487 -6.154 1.00 0.60 S ATOM 365 CE MET A 24 24.780 -0.878 -6.625 1.00 0.36 C ATOM 0 H MET A 24 23.005 -5.854 -7.070 1.00 0.20 H new ATOM 0 HA MET A 24 21.298 -3.523 -6.715 1.00 0.29 H new ATOM 0 HB2 MET A 24 23.851 -4.134 -8.201 1.00 0.31 H new ATOM 0 HB3 MET A 24 23.210 -2.530 -7.902 1.00 0.31 H new ATOM 0 HG2 MET A 24 23.294 -3.127 -5.397 1.00 0.30 H new ATOM 0 HG3 MET A 24 24.244 -4.524 -5.867 1.00 0.30 H new ATOM 0 HE1 MET A 24 25.414 -0.079 -6.241 1.00 0.36 H new ATOM 0 HE2 MET A 24 24.727 -0.808 -7.711 1.00 0.36 H new ATOM 0 HE3 MET A 24 23.779 -0.780 -6.206 1.00 0.36 H new ATOM 375 N LEU A 25 21.595 -4.793 -9.733 1.00 0.32 N ATOM 376 CA LEU A 25 21.057 -4.996 -11.095 1.00 0.34 C ATOM 377 C LEU A 25 19.519 -5.178 -11.037 1.00 0.32 C ATOM 378 O LEU A 25 18.790 -4.328 -11.515 1.00 0.43 O ATOM 379 CB LEU A 25 21.759 -6.237 -11.616 1.00 0.33 C ATOM 380 CG LEU A 25 22.890 -5.894 -12.521 1.00 0.28 C ATOM 381 CD1 LEU A 25 23.871 -6.997 -12.649 1.00 0.29 C ATOM 382 CD2 LEU A 25 22.316 -5.601 -13.877 1.00 0.35 C ATOM 0 H LEU A 25 22.483 -5.276 -9.598 1.00 0.32 H new ATOM 0 HA LEU A 25 21.234 -4.145 -11.752 1.00 0.34 H new ATOM 0 HB2 LEU A 25 22.131 -6.824 -10.776 1.00 0.33 H new ATOM 0 HB3 LEU A 25 21.043 -6.862 -12.150 1.00 0.33 H new ATOM 0 HG LEU A 25 23.417 -5.037 -12.102 1.00 0.28 H new ATOM 0 HD11 LEU A 25 24.674 -6.693 -13.320 1.00 0.29 H new ATOM 0 HD12 LEU A 25 24.286 -7.230 -11.668 1.00 0.29 H new ATOM 0 HD13 LEU A 25 23.375 -7.880 -13.053 1.00 0.29 H new ATOM 0 HD21 LEU A 25 23.121 -5.345 -14.566 1.00 0.35 H new ATOM 0 HD22 LEU A 25 21.788 -6.480 -14.246 1.00 0.35 H new ATOM 0 HD23 LEU A 25 21.621 -4.764 -13.805 1.00 0.35 H new ATOM 394 N PHE A 26 19.104 -6.287 -10.449 1.00 0.22 N ATOM 395 CA PHE A 26 17.635 -6.579 -10.327 1.00 0.22 C ATOM 396 C PHE A 26 16.888 -5.334 -9.848 1.00 0.25 C ATOM 397 O PHE A 26 15.973 -4.822 -10.474 1.00 0.24 O ATOM 398 CB PHE A 26 17.415 -7.702 -9.312 1.00 0.24 C ATOM 399 CG PHE A 26 15.905 -7.949 -9.198 1.00 0.25 C ATOM 400 CD1 PHE A 26 15.096 -7.130 -8.416 1.00 1.44 C ATOM 401 CD2 PHE A 26 15.340 -8.991 -9.907 1.00 1.23 C ATOM 402 CE1 PHE A 26 13.740 -7.369 -8.361 1.00 1.45 C ATOM 403 CE2 PHE A 26 13.989 -9.218 -9.844 1.00 1.22 C ATOM 404 CZ PHE A 26 13.198 -8.408 -9.074 1.00 0.30 C ATOM 0 H PHE A 26 19.719 -6.997 -10.051 1.00 0.22 H new ATOM 0 HA PHE A 26 17.258 -6.879 -11.305 1.00 0.22 H new ATOM 0 HB2 PHE A 26 17.927 -8.610 -9.631 1.00 0.24 H new ATOM 0 HB3 PHE A 26 17.830 -7.426 -8.343 1.00 0.24 H new ATOM 0 HD1 PHE A 26 15.528 -6.313 -7.856 1.00 1.44 H new ATOM 0 HD2 PHE A 26 15.965 -9.630 -10.514 1.00 1.23 H new ATOM 0 HE1 PHE A 26 13.104 -6.739 -7.757 1.00 1.45 H new ATOM 0 HE2 PHE A 26 13.550 -10.033 -10.400 1.00 1.22 H new ATOM 0 HZ PHE A 26 12.134 -8.589 -9.027 1.00 0.30 H new ATOM 414 N ILE A 27 17.342 -4.898 -8.706 1.00 0.25 N ATOM 415 CA ILE A 27 16.755 -3.694 -8.056 1.00 0.26 C ATOM 416 C ILE A 27 16.631 -2.573 -9.108 1.00 0.25 C ATOM 417 O ILE A 27 15.570 -2.033 -9.333 1.00 0.28 O ATOM 418 CB ILE A 27 17.693 -3.392 -6.907 1.00 0.25 C ATOM 419 CG1 ILE A 27 17.638 -4.614 -5.900 1.00 0.18 C ATOM 420 CG2 ILE A 27 17.220 -2.100 -6.278 1.00 0.26 C ATOM 421 CD1 ILE A 27 16.675 -4.364 -4.769 1.00 0.15 C ATOM 0 H ILE A 27 18.106 -5.332 -8.188 1.00 0.25 H new ATOM 0 HA ILE A 27 15.745 -3.821 -7.667 1.00 0.26 H new ATOM 0 HB ILE A 27 18.729 -3.267 -7.220 1.00 0.25 H new ATOM 0 HG12 ILE A 27 17.342 -5.515 -6.437 1.00 0.18 H new ATOM 0 HG13 ILE A 27 18.634 -4.797 -5.496 1.00 0.18 H new ATOM 0 HG21 ILE A 27 17.870 -1.843 -5.442 1.00 0.26 H new ATOM 0 HG22 ILE A 27 17.250 -1.302 -7.020 1.00 0.26 H new ATOM 0 HG23 ILE A 27 16.198 -2.223 -5.919 1.00 0.26 H new ATOM 0 HD11 ILE A 27 16.667 -5.225 -4.101 1.00 0.15 H new ATOM 0 HD12 ILE A 27 16.986 -3.478 -4.215 1.00 0.15 H new ATOM 0 HD13 ILE A 27 15.674 -4.207 -5.171 1.00 0.15 H new ATOM 433 N TYR A 28 17.725 -2.245 -9.727 1.00 0.21 N ATOM 434 CA TYR A 28 17.717 -1.184 -10.780 1.00 0.11 C ATOM 435 C TYR A 28 16.675 -1.487 -11.873 1.00 0.05 C ATOM 436 O TYR A 28 15.750 -0.721 -12.056 1.00 0.08 O ATOM 437 CB TYR A 28 19.095 -1.088 -11.447 1.00 0.13 C ATOM 438 CG TYR A 28 18.999 -0.039 -12.568 1.00 0.13 C ATOM 439 CD1 TYR A 28 19.245 1.283 -12.299 1.00 0.47 C ATOM 440 CD2 TYR A 28 18.646 -0.395 -13.861 1.00 0.54 C ATOM 441 CE1 TYR A 28 19.139 2.220 -13.293 1.00 0.46 C ATOM 442 CE2 TYR A 28 18.549 0.564 -14.848 1.00 0.59 C ATOM 443 CZ TYR A 28 18.794 1.875 -14.570 1.00 0.28 C ATOM 444 OH TYR A 28 18.678 2.826 -15.556 1.00 0.38 O ATOM 0 H TYR A 28 18.636 -2.668 -9.551 1.00 0.21 H new ATOM 0 HA TYR A 28 17.464 -0.244 -10.290 1.00 0.11 H new ATOM 0 HB2 TYR A 28 19.853 -0.801 -10.719 1.00 0.13 H new ATOM 0 HB3 TYR A 28 19.392 -2.055 -11.852 1.00 0.13 H new ATOM 0 HD1 TYR A 28 19.523 1.586 -11.301 1.00 0.47 H new ATOM 0 HD2 TYR A 28 18.446 -1.430 -14.097 1.00 0.54 H new ATOM 0 HE1 TYR A 28 19.333 3.257 -13.062 1.00 0.46 H new ATOM 0 HE2 TYR A 28 18.276 0.272 -15.851 1.00 0.59 H new ATOM 0 HH TYR A 28 17.821 2.716 -16.018 1.00 0.38 H new ATOM 454 N SER A 29 16.845 -2.592 -12.557 1.00 0.03 N ATOM 455 CA SER A 29 15.863 -2.936 -13.646 1.00 0.09 C ATOM 456 C SER A 29 14.431 -2.776 -13.158 1.00 0.12 C ATOM 457 O SER A 29 13.662 -2.055 -13.769 1.00 0.20 O ATOM 458 CB SER A 29 16.136 -4.392 -14.161 1.00 0.16 C ATOM 459 OG SER A 29 16.185 -5.295 -13.063 1.00 0.24 O ATOM 0 H SER A 29 17.602 -3.261 -12.417 1.00 0.03 H new ATOM 0 HA SER A 29 15.997 -2.244 -14.478 1.00 0.09 H new ATOM 0 HB2 SER A 29 15.352 -4.694 -14.856 1.00 0.16 H new ATOM 0 HB3 SER A 29 17.077 -4.422 -14.710 1.00 0.16 H new ATOM 0 HG SER A 29 16.347 -4.795 -12.236 1.00 0.24 H new ATOM 465 N HIS A 30 14.088 -3.415 -12.085 1.00 0.09 N ATOM 466 CA HIS A 30 12.716 -3.302 -11.542 1.00 0.14 C ATOM 467 C HIS A 30 12.382 -1.833 -11.136 1.00 0.19 C ATOM 468 O HIS A 30 11.387 -1.289 -11.566 1.00 0.26 O ATOM 469 CB HIS A 30 12.723 -4.305 -10.400 1.00 0.12 C ATOM 470 CG HIS A 30 12.520 -5.683 -11.013 1.00 0.09 C ATOM 471 ND1 HIS A 30 11.415 -6.327 -10.917 1.00 1.01 N ATOM 472 CD2 HIS A 30 13.334 -6.512 -11.758 1.00 0.76 C ATOM 473 CE1 HIS A 30 11.498 -7.460 -11.537 1.00 0.81 C ATOM 474 NE2 HIS A 30 12.681 -7.615 -12.078 1.00 0.29 N ATOM 0 H HIS A 30 14.711 -4.022 -11.552 1.00 0.09 H new ATOM 0 HA HIS A 30 11.923 -3.529 -12.254 1.00 0.14 H new ATOM 0 HB2 HIS A 30 13.666 -4.261 -9.855 1.00 0.12 H new ATOM 0 HB3 HIS A 30 11.931 -4.081 -9.686 1.00 0.12 H new ATOM 0 HD1 HIS A 30 10.588 -5.993 -10.422 1.00 1.01 H new ATOM 0 HD2 HIS A 30 14.354 -6.292 -12.038 1.00 0.76 H new ATOM 0 HE1 HIS A 30 10.698 -8.182 -11.600 1.00 0.81 H new ATOM 482 N TYR A 31 13.205 -1.233 -10.327 1.00 0.16 N ATOM 483 CA TYR A 31 13.033 0.174 -9.848 1.00 0.15 C ATOM 484 C TYR A 31 12.654 1.116 -11.000 1.00 0.15 C ATOM 485 O TYR A 31 11.653 1.798 -10.999 1.00 0.15 O ATOM 486 CB TYR A 31 14.334 0.630 -9.282 1.00 0.18 C ATOM 487 CG TYR A 31 14.246 2.069 -8.822 1.00 0.15 C ATOM 488 CD1 TYR A 31 13.366 2.518 -7.862 1.00 1.30 C ATOM 489 CD2 TYR A 31 15.091 2.947 -9.426 1.00 1.32 C ATOM 490 CE1 TYR A 31 13.355 3.861 -7.534 1.00 1.29 C ATOM 491 CE2 TYR A 31 15.079 4.270 -9.095 1.00 1.31 C ATOM 492 CZ TYR A 31 14.213 4.740 -8.149 1.00 0.06 C ATOM 493 OH TYR A 31 14.227 6.081 -7.833 1.00 0.05 O ATOM 0 H TYR A 31 14.040 -1.686 -9.955 1.00 0.16 H new ATOM 0 HA TYR A 31 12.236 0.197 -9.105 1.00 0.15 H new ATOM 0 HB2 TYR A 31 14.614 -0.008 -8.444 1.00 0.18 H new ATOM 0 HB3 TYR A 31 15.117 0.531 -10.034 1.00 0.18 H new ATOM 0 HD1 TYR A 31 12.693 1.830 -7.372 1.00 1.30 H new ATOM 0 HD2 TYR A 31 15.781 2.592 -10.178 1.00 1.32 H new ATOM 0 HE1 TYR A 31 12.665 4.223 -6.786 1.00 1.29 H new ATOM 0 HE2 TYR A 31 15.759 4.951 -9.585 1.00 1.31 H new ATOM 0 HH TYR A 31 14.904 6.538 -8.375 1.00 0.05 H new ATOM 503 N LYS A 32 13.541 1.077 -11.957 1.00 0.14 N ATOM 504 CA LYS A 32 13.439 1.889 -13.193 1.00 0.13 C ATOM 505 C LYS A 32 12.134 1.502 -13.903 1.00 0.11 C ATOM 506 O LYS A 32 11.351 2.399 -14.131 1.00 0.18 O ATOM 507 CB LYS A 32 14.714 1.573 -13.939 1.00 0.09 C ATOM 508 CG LYS A 32 15.945 1.980 -13.057 1.00 0.10 C ATOM 509 CD LYS A 32 16.149 3.509 -12.768 1.00 0.28 C ATOM 510 CE LYS A 32 16.316 4.325 -14.043 1.00 0.24 C ATOM 511 NZ LYS A 32 17.536 5.208 -13.995 1.00 0.12 N ATOM 0 H LYS A 32 14.370 0.484 -11.924 1.00 0.14 H new ATOM 0 HA LYS A 32 13.372 2.969 -13.062 1.00 0.13 H new ATOM 0 HB2 LYS A 32 14.757 0.510 -14.175 1.00 0.09 H new ATOM 0 HB3 LYS A 32 14.737 2.111 -14.887 1.00 0.09 H new ATOM 0 HG2 LYS A 32 15.860 1.464 -12.100 1.00 0.10 H new ATOM 0 HG3 LYS A 32 16.846 1.605 -13.542 1.00 0.10 H new ATOM 0 HD2 LYS A 32 15.294 3.887 -12.208 1.00 0.28 H new ATOM 0 HD3 LYS A 32 17.028 3.642 -12.137 1.00 0.28 H new ATOM 0 HE2 LYS A 32 16.390 3.652 -14.897 1.00 0.24 H new ATOM 0 HE3 LYS A 32 15.430 4.940 -14.198 1.00 0.24 H new ATOM 0 HZ1 LYS A 32 17.335 6.105 -14.481 1.00 0.12 H new ATOM 0 HZ2 LYS A 32 17.787 5.400 -13.004 1.00 0.12 H new ATOM 0 HZ3 LYS A 32 18.330 4.729 -14.467 1.00 0.12 H new ATOM 525 N GLN A 33 11.883 0.267 -14.271 1.00 0.19 N ATOM 526 CA GLN A 33 10.544 0.019 -14.933 1.00 0.18 C ATOM 527 C GLN A 33 9.372 0.585 -14.109 1.00 0.25 C ATOM 528 O GLN A 33 8.493 1.226 -14.661 1.00 0.32 O ATOM 529 CB GLN A 33 10.358 -1.483 -15.176 1.00 0.20 C ATOM 530 CG GLN A 33 9.955 -1.677 -16.685 1.00 0.66 C ATOM 531 CD GLN A 33 8.509 -1.202 -16.978 1.00 0.93 C ATOM 532 OE1 GLN A 33 8.158 -0.884 -18.088 1.00 1.85 O ATOM 533 NE2 GLN A 33 7.604 -1.135 -16.058 1.00 0.93 N ATOM 0 H GLN A 33 12.497 -0.539 -14.156 1.00 0.19 H new ATOM 0 HA GLN A 33 10.541 0.545 -15.887 1.00 0.18 H new ATOM 0 HB2 GLN A 33 11.278 -2.023 -14.953 1.00 0.20 H new ATOM 0 HB3 GLN A 33 9.586 -1.884 -14.519 1.00 0.20 H new ATOM 0 HG2 GLN A 33 10.651 -1.125 -17.317 1.00 0.66 H new ATOM 0 HG3 GLN A 33 10.049 -2.730 -16.951 1.00 0.66 H new ATOM 0 HE21 GLN A 33 7.833 -1.390 -15.097 1.00 0.93 H new ATOM 0 HE22 GLN A 33 6.660 -0.827 -16.292 1.00 0.93 H new ATOM 542 N ALA A 34 9.383 0.346 -12.822 1.00 0.24 N ATOM 543 CA ALA A 34 8.296 0.860 -11.923 1.00 0.31 C ATOM 544 C ALA A 34 8.212 2.414 -11.951 1.00 0.32 C ATOM 545 O ALA A 34 7.163 2.987 -12.162 1.00 0.48 O ATOM 546 CB ALA A 34 8.589 0.400 -10.501 1.00 0.34 C ATOM 0 H ALA A 34 10.108 -0.191 -12.346 1.00 0.24 H new ATOM 0 HA ALA A 34 7.341 0.468 -12.274 1.00 0.31 H new ATOM 0 HB1 ALA A 34 7.809 0.764 -9.833 1.00 0.34 H new ATOM 0 HB2 ALA A 34 8.615 -0.689 -10.469 1.00 0.34 H new ATOM 0 HB3 ALA A 34 9.554 0.795 -10.182 1.00 0.34 H new ATOM 552 N THR A 35 9.321 3.071 -11.760 1.00 0.18 N ATOM 553 CA THR A 35 9.379 4.578 -11.752 1.00 0.18 C ATOM 554 C THR A 35 9.398 5.183 -13.139 1.00 0.19 C ATOM 555 O THR A 35 8.558 6.002 -13.448 1.00 0.20 O ATOM 556 CB THR A 35 10.643 5.031 -10.997 1.00 0.12 C ATOM 557 OG1 THR A 35 11.700 4.370 -11.669 1.00 0.07 O ATOM 558 CG2 THR A 35 10.688 4.432 -9.630 1.00 0.13 C ATOM 0 H THR A 35 10.223 2.620 -11.603 1.00 0.18 H new ATOM 0 HA THR A 35 8.472 4.927 -11.259 1.00 0.18 H new ATOM 0 HB THR A 35 10.684 6.119 -10.951 1.00 0.12 H new ATOM 0 HG1 THR A 35 11.924 3.544 -11.193 1.00 0.07 H new ATOM 0 HG21 THR A 35 11.589 4.766 -9.116 1.00 0.13 H new ATOM 0 HG22 THR A 35 9.810 4.747 -9.066 1.00 0.13 H new ATOM 0 HG23 THR A 35 10.697 3.345 -9.709 1.00 0.13 H new ATOM 566 N VAL A 36 10.327 4.769 -13.947 1.00 0.18 N ATOM 567 CA VAL A 36 10.416 5.319 -15.328 1.00 0.21 C ATOM 568 C VAL A 36 9.393 4.665 -16.261 1.00 0.24 C ATOM 569 O VAL A 36 8.359 5.203 -16.603 1.00 0.16 O ATOM 570 CB VAL A 36 11.861 5.072 -15.924 1.00 0.19 C ATOM 571 CG1 VAL A 36 11.978 5.850 -17.248 1.00 0.22 C ATOM 572 CG2 VAL A 36 12.998 5.448 -15.023 1.00 0.19 C ATOM 0 H VAL A 36 11.033 4.071 -13.712 1.00 0.18 H new ATOM 0 HA VAL A 36 10.208 6.387 -15.262 1.00 0.21 H new ATOM 0 HB VAL A 36 11.954 3.995 -16.064 1.00 0.19 H new ATOM 0 HG11 VAL A 36 12.968 5.693 -17.676 1.00 0.22 H new ATOM 0 HG12 VAL A 36 11.220 5.495 -17.947 1.00 0.22 H new ATOM 0 HG13 VAL A 36 11.829 6.913 -17.060 1.00 0.22 H new ATOM 0 HG21 VAL A 36 13.943 5.240 -15.524 1.00 0.19 H new ATOM 0 HG22 VAL A 36 12.939 6.510 -14.786 1.00 0.19 H new ATOM 0 HG23 VAL A 36 12.940 4.867 -14.102 1.00 0.19 H new ATOM 582 N GLY A 37 9.739 3.459 -16.583 1.00 0.32 N ATOM 583 CA GLY A 37 8.982 2.544 -17.499 1.00 0.38 C ATOM 584 C GLY A 37 10.027 2.213 -18.571 1.00 0.46 C ATOM 585 O GLY A 37 10.764 1.259 -18.397 1.00 0.34 O ATOM 0 H GLY A 37 10.589 3.029 -16.219 1.00 0.32 H new ATOM 0 HA2 GLY A 37 8.633 1.650 -16.982 1.00 0.38 H new ATOM 0 HA3 GLY A 37 8.104 3.030 -17.924 1.00 0.38 H new ATOM 589 N ASP A 38 10.068 3.019 -19.599 1.00 0.68 N ATOM 590 CA ASP A 38 11.035 2.821 -20.721 1.00 0.83 C ATOM 591 C ASP A 38 12.439 3.406 -20.469 1.00 0.78 C ATOM 592 O ASP A 38 12.652 4.356 -19.737 1.00 0.85 O ATOM 593 CB ASP A 38 10.498 3.485 -21.991 1.00 1.13 C ATOM 594 CG ASP A 38 9.184 2.921 -22.458 1.00 1.30 C ATOM 595 OD1 ASP A 38 8.210 3.364 -21.882 1.00 1.98 O ATOM 596 OD2 ASP A 38 9.270 2.102 -23.356 1.00 1.51 O ATOM 0 H ASP A 38 9.456 3.827 -19.711 1.00 0.68 H new ATOM 0 HA ASP A 38 11.135 1.740 -20.818 1.00 0.83 H new ATOM 0 HB2 ASP A 38 10.381 4.554 -21.810 1.00 1.13 H new ATOM 0 HB3 ASP A 38 11.234 3.375 -22.787 1.00 1.13 H new ATOM 601 N ILE A 39 13.359 2.794 -21.146 1.00 0.73 N ATOM 602 CA ILE A 39 14.769 3.230 -21.017 1.00 0.67 C ATOM 603 C ILE A 39 15.144 4.196 -22.159 1.00 0.83 C ATOM 604 O ILE A 39 15.198 3.902 -23.336 1.00 1.02 O ATOM 605 CB ILE A 39 15.566 1.925 -20.970 1.00 0.53 C ATOM 606 CG1 ILE A 39 17.056 2.215 -20.795 1.00 0.50 C ATOM 607 CG2 ILE A 39 15.331 1.100 -22.225 1.00 0.54 C ATOM 608 CD1 ILE A 39 17.700 0.946 -20.267 1.00 0.37 C ATOM 0 H ILE A 39 13.198 2.013 -21.782 1.00 0.73 H new ATOM 0 HA ILE A 39 14.980 3.815 -20.122 1.00 0.67 H new ATOM 0 HB ILE A 39 15.220 1.347 -20.113 1.00 0.53 H new ATOM 0 HG12 ILE A 39 17.505 2.509 -21.744 1.00 0.50 H new ATOM 0 HG13 ILE A 39 17.208 3.042 -20.101 1.00 0.50 H new ATOM 0 HG21 ILE A 39 15.909 0.177 -22.167 1.00 0.54 H new ATOM 0 HG22 ILE A 39 14.271 0.860 -22.309 1.00 0.54 H new ATOM 0 HG23 ILE A 39 15.645 1.670 -23.099 1.00 0.54 H new ATOM 0 HD11 ILE A 39 18.768 1.111 -20.128 1.00 0.37 H new ATOM 0 HD12 ILE A 39 17.247 0.678 -19.313 1.00 0.37 H new ATOM 0 HD13 ILE A 39 17.548 0.137 -20.981 1.00 0.37 H new ATOM 620 N ASN A 40 15.387 5.383 -21.694 1.00 0.77 N ATOM 621 CA ASN A 40 15.771 6.564 -22.532 1.00 0.92 C ATOM 622 C ASN A 40 17.103 7.091 -21.966 1.00 0.97 C ATOM 623 O ASN A 40 17.332 8.272 -21.801 1.00 1.19 O ATOM 624 CB ASN A 40 14.591 7.554 -22.396 1.00 0.93 C ATOM 625 CG ASN A 40 14.174 7.641 -20.921 1.00 0.78 C ATOM 626 OD1 ASN A 40 14.898 7.358 -19.994 1.00 1.20 O ATOM 627 ND2 ASN A 40 12.995 8.022 -20.587 1.00 1.04 N ATOM 0 H ASN A 40 15.332 5.602 -20.699 1.00 0.77 H new ATOM 0 HA ASN A 40 15.932 6.361 -23.591 1.00 0.92 H new ATOM 0 HB2 ASN A 40 14.882 8.538 -22.763 1.00 0.93 H new ATOM 0 HB3 ASN A 40 13.750 7.223 -23.005 1.00 0.93 H new ATOM 0 HD21 ASN A 40 12.733 8.067 -19.602 1.00 1.04 H new ATOM 0 HD22 ASN A 40 12.319 8.280 -21.306 1.00 1.04 H new ATOM 634 N THR A 41 17.936 6.128 -21.695 1.00 0.81 N ATOM 635 CA THR A 41 19.305 6.353 -21.117 1.00 0.84 C ATOM 636 C THR A 41 20.385 5.663 -21.991 1.00 0.85 C ATOM 637 O THR A 41 20.027 4.881 -22.851 1.00 0.83 O ATOM 638 CB THR A 41 19.245 5.780 -19.684 1.00 0.65 C ATOM 639 OG1 THR A 41 18.991 4.404 -19.906 1.00 0.42 O ATOM 640 CG2 THR A 41 17.910 6.127 -18.969 1.00 0.55 C ATOM 0 H THR A 41 17.719 5.144 -21.856 1.00 0.81 H new ATOM 0 HA THR A 41 19.582 7.407 -21.095 1.00 0.84 H new ATOM 0 HB THR A 41 20.126 6.112 -19.134 1.00 0.65 H new ATOM 0 HG1 THR A 41 19.819 3.895 -19.784 1.00 0.42 H new ATOM 0 HG21 THR A 41 17.914 5.703 -17.965 1.00 0.55 H new ATOM 0 HG22 THR A 41 17.802 7.210 -18.905 1.00 0.55 H new ATOM 0 HG23 THR A 41 17.076 5.712 -19.535 1.00 0.55 H new ATOM 798 N GLY A 51 26.050 0.765 -15.046 1.00 1.02 N ATOM 799 CA GLY A 51 25.330 1.412 -16.159 1.00 0.91 C ATOM 800 C GLY A 51 24.926 0.334 -17.112 1.00 0.53 C ATOM 801 O GLY A 51 23.771 -0.020 -17.123 1.00 0.85 O ATOM 0 HA2 GLY A 51 24.455 1.948 -15.791 1.00 0.91 H new ATOM 0 HA3 GLY A 51 25.967 2.145 -16.655 1.00 0.91 H new ATOM 805 N LYS A 52 25.848 -0.156 -17.899 1.00 0.41 N ATOM 806 CA LYS A 52 25.529 -1.226 -18.847 1.00 0.44 C ATOM 807 C LYS A 52 24.638 -2.293 -18.243 1.00 0.38 C ATOM 808 O LYS A 52 23.478 -2.362 -18.557 1.00 0.48 O ATOM 809 CB LYS A 52 26.793 -1.910 -19.316 1.00 0.87 C ATOM 810 CG LYS A 52 27.740 -0.892 -19.936 1.00 1.57 C ATOM 811 CD LYS A 52 27.207 -0.288 -21.125 1.00 1.67 C ATOM 812 CE LYS A 52 28.294 0.015 -22.212 1.00 2.41 C ATOM 813 NZ LYS A 52 29.401 0.855 -21.680 1.00 2.97 N ATOM 0 H LYS A 52 26.819 0.155 -17.914 1.00 0.41 H new ATOM 0 HA LYS A 52 25.005 -0.747 -19.674 1.00 0.44 H new ATOM 0 HB2 LYS A 52 27.280 -2.407 -18.477 1.00 0.87 H new ATOM 0 HB3 LYS A 52 26.549 -2.682 -20.045 1.00 0.87 H new ATOM 0 HG2 LYS A 52 27.958 -0.113 -19.205 1.00 1.57 H new ATOM 0 HG3 LYS A 52 28.685 -1.380 -20.174 1.00 1.57 H new ATOM 0 HD2 LYS A 52 26.452 -0.948 -21.552 1.00 1.67 H new ATOM 0 HD3 LYS A 52 26.703 0.641 -20.857 1.00 1.67 H new ATOM 0 HE2 LYS A 52 28.701 -0.924 -22.588 1.00 2.41 H new ATOM 0 HE3 LYS A 52 27.829 0.522 -23.057 1.00 2.41 H new ATOM 0 HZ1 LYS A 52 30.052 1.101 -22.453 1.00 2.97 H new ATOM 0 HZ2 LYS A 52 29.009 1.725 -21.267 1.00 2.97 H new ATOM 0 HZ3 LYS A 52 29.917 0.327 -20.948 1.00 2.97 H new ATOM 827 N ALA A 53 25.256 -3.052 -17.377 1.00 0.42 N ATOM 828 CA ALA A 53 24.614 -4.171 -16.658 1.00 0.62 C ATOM 829 C ALA A 53 23.137 -3.979 -16.428 1.00 0.72 C ATOM 830 O ALA A 53 22.308 -4.722 -16.918 1.00 0.95 O ATOM 831 CB ALA A 53 25.425 -4.334 -15.355 1.00 0.64 C ATOM 0 H ALA A 53 26.238 -2.925 -17.132 1.00 0.42 H new ATOM 0 HA ALA A 53 24.637 -5.083 -17.255 1.00 0.62 H new ATOM 0 HB1 ALA A 53 25.006 -5.150 -14.765 1.00 0.64 H new ATOM 0 HB2 ALA A 53 26.464 -4.558 -15.598 1.00 0.64 H new ATOM 0 HB3 ALA A 53 25.379 -3.409 -14.780 1.00 0.64 H new ATOM 837 N LYS A 54 22.853 -2.949 -15.691 1.00 0.64 N ATOM 838 CA LYS A 54 21.428 -2.691 -15.415 1.00 1.01 C ATOM 839 C LYS A 54 20.718 -2.003 -16.584 1.00 0.52 C ATOM 840 O LYS A 54 19.522 -2.174 -16.680 1.00 0.27 O ATOM 841 CB LYS A 54 21.389 -1.892 -14.200 1.00 1.58 C ATOM 842 CG LYS A 54 21.781 -0.453 -14.516 1.00 1.16 C ATOM 843 CD LYS A 54 22.392 -0.048 -13.294 1.00 1.33 C ATOM 844 CE LYS A 54 22.629 1.426 -13.063 1.00 1.00 C ATOM 845 NZ LYS A 54 22.840 2.170 -14.336 1.00 0.66 N ATOM 0 H LYS A 54 23.522 -2.297 -15.282 1.00 0.64 H new ATOM 0 HA LYS A 54 20.887 -3.628 -15.284 1.00 1.01 H new ATOM 0 HB2 LYS A 54 20.389 -1.920 -13.768 1.00 1.58 H new ATOM 0 HB3 LYS A 54 22.069 -2.309 -13.457 1.00 1.58 H new ATOM 0 HG2 LYS A 54 22.470 -0.391 -15.359 1.00 1.16 H new ATOM 0 HG3 LYS A 54 20.916 0.162 -14.765 1.00 1.16 H new ATOM 0 HD2 LYS A 54 21.774 -0.417 -12.476 1.00 1.33 H new ATOM 0 HD3 LYS A 54 23.354 -0.555 -13.220 1.00 1.33 H new ATOM 0 HE2 LYS A 54 21.776 1.850 -12.534 1.00 1.00 H new ATOM 0 HE3 LYS A 54 23.500 1.556 -12.420 1.00 1.00 H new ATOM 0 HZ1 LYS A 54 23.698 2.752 -14.260 1.00 0.66 H new ATOM 0 HZ2 LYS A 54 22.949 1.494 -15.119 1.00 0.66 H new ATOM 0 HZ3 LYS A 54 22.020 2.783 -14.519 1.00 0.66 H new ATOM 859 N TRP A 55 21.402 -1.260 -17.433 1.00 0.46 N ATOM 860 CA TRP A 55 20.697 -0.601 -18.575 1.00 0.26 C ATOM 861 C TRP A 55 20.058 -1.798 -19.283 1.00 0.20 C ATOM 862 O TRP A 55 18.872 -1.858 -19.522 1.00 0.33 O ATOM 863 CB TRP A 55 21.761 0.071 -19.419 1.00 0.32 C ATOM 864 CG TRP A 55 21.172 1.033 -20.426 1.00 0.42 C ATOM 865 CD1 TRP A 55 20.837 2.307 -20.138 1.00 0.45 C ATOM 866 CD2 TRP A 55 20.947 0.792 -21.729 1.00 0.52 C ATOM 867 NE1 TRP A 55 20.429 2.752 -21.306 1.00 0.56 N ATOM 868 CE2 TRP A 55 20.464 1.920 -22.327 1.00 0.63 C ATOM 869 CE3 TRP A 55 21.134 -0.346 -22.467 1.00 0.56 C ATOM 870 CZ2 TRP A 55 20.179 1.922 -23.667 1.00 0.77 C ATOM 871 CZ3 TRP A 55 20.856 -0.363 -23.814 1.00 0.70 C ATOM 872 CH2 TRP A 55 20.375 0.779 -24.419 1.00 0.81 C ATOM 0 H TRP A 55 22.406 -1.087 -17.381 1.00 0.46 H new ATOM 0 HA TRP A 55 19.958 0.160 -18.325 1.00 0.26 H new ATOM 0 HB2 TRP A 55 22.452 0.607 -18.769 1.00 0.32 H new ATOM 0 HB3 TRP A 55 22.341 -0.690 -19.942 1.00 0.32 H new ATOM 0 HD1 TRP A 55 20.890 2.827 -19.193 1.00 0.45 H new ATOM 0 HE1 TRP A 55 20.096 3.710 -21.418 1.00 0.56 H new ATOM 0 HE3 TRP A 55 21.504 -1.240 -21.986 1.00 0.56 H new ATOM 0 HZ2 TRP A 55 19.801 2.818 -24.136 1.00 0.77 H new ATOM 0 HZ3 TRP A 55 21.013 -1.262 -24.392 1.00 0.70 H new ATOM 0 HH2 TRP A 55 20.152 0.780 -25.476 1.00 0.81 H new ATOM 883 N ASP A 56 20.958 -2.704 -19.542 1.00 0.16 N ATOM 884 CA ASP A 56 20.723 -3.995 -20.211 1.00 0.28 C ATOM 885 C ASP A 56 19.566 -4.659 -19.413 1.00 0.26 C ATOM 886 O ASP A 56 18.488 -4.779 -19.954 1.00 0.38 O ATOM 887 CB ASP A 56 22.194 -4.651 -20.167 1.00 0.35 C ATOM 888 CG ASP A 56 22.809 -5.018 -21.493 1.00 0.39 C ATOM 889 OD1 ASP A 56 22.110 -5.024 -22.495 1.00 0.94 O ATOM 890 OD2 ASP A 56 23.995 -5.266 -21.433 1.00 1.05 O ATOM 0 H ASP A 56 21.937 -2.574 -19.286 1.00 0.16 H new ATOM 0 HA ASP A 56 20.382 -4.039 -21.245 1.00 0.28 H new ATOM 0 HB2 ASP A 56 22.863 -3.954 -19.662 1.00 0.35 H new ATOM 0 HB3 ASP A 56 22.148 -5.550 -19.552 1.00 0.35 H new ATOM 895 N ALA A 57 19.766 -5.060 -18.184 1.00 0.30 N ATOM 896 CA ALA A 57 18.652 -5.694 -17.397 1.00 0.38 C ATOM 897 C ALA A 57 17.279 -4.907 -17.405 1.00 0.26 C ATOM 898 O ALA A 57 16.211 -5.476 -17.508 1.00 0.29 O ATOM 899 CB ALA A 57 19.203 -5.877 -15.968 1.00 0.53 C ATOM 0 H ALA A 57 20.652 -4.978 -17.686 1.00 0.30 H new ATOM 0 HA ALA A 57 18.380 -6.639 -17.867 1.00 0.38 H new ATOM 0 HB1 ALA A 57 18.440 -6.336 -15.340 1.00 0.53 H new ATOM 0 HB2 ALA A 57 20.083 -6.519 -15.997 1.00 0.53 H new ATOM 0 HB3 ALA A 57 19.476 -4.905 -15.556 1.00 0.53 H new ATOM 905 N TRP A 58 17.317 -3.605 -17.297 1.00 0.16 N ATOM 906 CA TRP A 58 16.069 -2.739 -17.293 1.00 0.13 C ATOM 907 C TRP A 58 15.431 -2.749 -18.686 1.00 0.17 C ATOM 908 O TRP A 58 14.253 -2.996 -18.849 1.00 0.19 O ATOM 909 CB TRP A 58 16.426 -1.270 -16.901 1.00 0.16 C ATOM 910 CG TRP A 58 15.211 -0.335 -17.127 1.00 0.17 C ATOM 911 CD1 TRP A 58 13.893 -0.714 -17.219 1.00 0.18 C ATOM 912 CD2 TRP A 58 15.294 1.002 -17.295 1.00 0.18 C ATOM 913 NE1 TRP A 58 13.283 0.438 -17.447 1.00 0.19 N ATOM 914 CE2 TRP A 58 14.039 1.500 -17.501 1.00 0.19 C ATOM 915 CE3 TRP A 58 16.353 1.881 -17.286 1.00 0.19 C ATOM 916 CZ2 TRP A 58 13.813 2.832 -17.693 1.00 0.17 C ATOM 917 CZ3 TRP A 58 16.140 3.228 -17.477 1.00 0.19 C ATOM 918 CH2 TRP A 58 14.874 3.709 -17.681 1.00 0.18 C ATOM 0 H TRP A 58 18.185 -3.076 -17.208 1.00 0.16 H new ATOM 0 HA TRP A 58 15.368 -3.142 -16.562 1.00 0.13 H new ATOM 0 HB2 TRP A 58 16.732 -1.231 -15.856 1.00 0.16 H new ATOM 0 HB3 TRP A 58 17.273 -0.925 -17.494 1.00 0.16 H new ATOM 0 HD1 TRP A 58 13.464 -1.701 -17.128 1.00 0.18 H new ATOM 0 HE1 TRP A 58 12.272 0.493 -17.574 1.00 0.19 H new ATOM 0 HE3 TRP A 58 17.356 1.513 -17.128 1.00 0.19 H new ATOM 0 HZ2 TRP A 58 12.809 3.196 -17.853 1.00 0.17 H new ATOM 0 HZ3 TRP A 58 16.977 3.910 -17.466 1.00 0.19 H new ATOM 0 HH2 TRP A 58 14.710 4.766 -17.831 1.00 0.18 H new ATOM 929 N ASN A 59 16.220 -2.466 -19.668 1.00 0.22 N ATOM 930 CA ASN A 59 15.773 -2.441 -21.078 1.00 0.30 C ATOM 931 C ASN A 59 14.932 -3.692 -21.406 1.00 0.33 C ATOM 932 O ASN A 59 14.124 -3.683 -22.314 1.00 0.41 O ATOM 933 CB ASN A 59 17.036 -2.392 -21.907 1.00 0.32 C ATOM 934 CG ASN A 59 16.689 -2.202 -23.358 1.00 0.47 C ATOM 935 OD1 ASN A 59 15.879 -1.402 -23.775 1.00 0.84 O ATOM 936 ND2 ASN A 59 17.329 -2.954 -24.171 1.00 0.34 N ATOM 0 H ASN A 59 17.207 -2.239 -19.545 1.00 0.22 H new ATOM 0 HA ASN A 59 15.134 -1.583 -21.285 1.00 0.30 H new ATOM 0 HB2 ASN A 59 17.673 -1.576 -21.567 1.00 0.32 H new ATOM 0 HB3 ASN A 59 17.602 -3.314 -21.777 1.00 0.32 H new ATOM 0 HD21 ASN A 59 17.159 -2.882 -25.174 1.00 0.34 H new ATOM 0 HD22 ASN A 59 18.010 -3.626 -23.816 1.00 0.34 H new ATOM 943 N GLU A 60 15.153 -4.721 -20.631 1.00 0.27 N ATOM 944 CA GLU A 60 14.421 -6.011 -20.847 1.00 0.33 C ATOM 945 C GLU A 60 12.935 -5.930 -20.400 1.00 0.32 C ATOM 946 O GLU A 60 12.052 -6.612 -20.882 1.00 0.23 O ATOM 947 CB GLU A 60 15.274 -7.052 -20.083 1.00 0.34 C ATOM 948 CG GLU A 60 14.803 -8.498 -20.357 1.00 0.38 C ATOM 949 CD GLU A 60 15.954 -9.503 -20.160 1.00 0.67 C ATOM 950 OE1 GLU A 60 16.474 -9.566 -19.056 1.00 0.72 O ATOM 951 OE2 GLU A 60 16.252 -10.155 -21.146 1.00 1.57 O ATOM 0 H GLU A 60 15.812 -4.726 -19.853 1.00 0.27 H new ATOM 0 HA GLU A 60 14.326 -6.284 -21.898 1.00 0.33 H new ATOM 0 HB2 GLU A 60 16.319 -6.949 -20.375 1.00 0.34 H new ATOM 0 HB3 GLU A 60 15.221 -6.850 -19.013 1.00 0.34 H new ATOM 0 HG2 GLU A 60 13.979 -8.748 -19.689 1.00 0.38 H new ATOM 0 HG3 GLU A 60 14.421 -8.573 -21.375 1.00 0.38 H new ATOM 958 N LEU A 61 12.753 -5.057 -19.453 1.00 0.40 N ATOM 959 CA LEU A 61 11.454 -4.710 -18.797 1.00 0.44 C ATOM 960 C LEU A 61 10.785 -3.473 -19.447 1.00 0.58 C ATOM 961 O LEU A 61 9.603 -3.262 -19.290 1.00 0.76 O ATOM 962 CB LEU A 61 11.701 -4.368 -17.340 1.00 0.25 C ATOM 963 CG LEU A 61 12.750 -5.205 -16.663 1.00 0.25 C ATOM 964 CD1 LEU A 61 12.856 -4.655 -15.265 1.00 0.15 C ATOM 965 CD2 LEU A 61 12.375 -6.651 -16.732 1.00 0.38 C ATOM 0 H LEU A 61 13.530 -4.518 -19.071 1.00 0.40 H new ATOM 0 HA LEU A 61 10.800 -5.575 -18.909 1.00 0.44 H new ATOM 0 HB2 LEU A 61 11.993 -3.320 -17.272 1.00 0.25 H new ATOM 0 HB3 LEU A 61 10.764 -4.473 -16.793 1.00 0.25 H new ATOM 0 HG LEU A 61 13.727 -5.155 -17.143 1.00 0.25 H new ATOM 0 HD11 LEU A 61 13.605 -5.218 -14.708 1.00 0.15 H new ATOM 0 HD12 LEU A 61 13.148 -3.606 -15.308 1.00 0.15 H new ATOM 0 HD13 LEU A 61 11.891 -4.743 -14.765 1.00 0.15 H new ATOM 0 HD21 LEU A 61 13.141 -7.249 -16.239 1.00 0.38 H new ATOM 0 HD22 LEU A 61 11.418 -6.803 -16.232 1.00 0.38 H new ATOM 0 HD23 LEU A 61 12.292 -6.956 -17.775 1.00 0.38 H new ATOM 977 N LYS A 62 11.587 -2.710 -20.134 1.00 0.52 N ATOM 978 CA LYS A 62 11.175 -1.451 -20.847 1.00 0.69 C ATOM 979 C LYS A 62 9.678 -1.142 -21.037 1.00 1.15 C ATOM 980 O LYS A 62 9.282 -0.006 -20.877 1.00 2.12 O ATOM 981 CB LYS A 62 11.902 -1.458 -22.246 1.00 0.55 C ATOM 982 CG LYS A 62 11.211 -0.359 -23.111 1.00 0.51 C ATOM 983 CD LYS A 62 11.889 -0.104 -24.490 1.00 0.74 C ATOM 984 CE LYS A 62 11.152 1.078 -25.184 1.00 1.39 C ATOM 985 NZ LYS A 62 11.776 1.365 -26.517 1.00 1.94 N ATOM 0 H LYS A 62 12.580 -2.919 -20.240 1.00 0.52 H new ATOM 0 HA LYS A 62 11.472 -0.647 -20.174 1.00 0.69 H new ATOM 0 HB2 LYS A 62 12.966 -1.249 -22.131 1.00 0.55 H new ATOM 0 HB3 LYS A 62 11.818 -2.435 -22.722 1.00 0.55 H new ATOM 0 HG2 LYS A 62 10.172 -0.645 -23.278 1.00 0.51 H new ATOM 0 HG3 LYS A 62 11.198 0.574 -22.548 1.00 0.51 H new ATOM 0 HD2 LYS A 62 12.945 0.132 -24.356 1.00 0.74 H new ATOM 0 HD3 LYS A 62 11.839 -0.999 -25.110 1.00 0.74 H new ATOM 0 HE2 LYS A 62 10.098 0.834 -25.313 1.00 1.39 H new ATOM 0 HE3 LYS A 62 11.199 1.966 -24.553 1.00 1.39 H new ATOM 0 HZ1 LYS A 62 11.276 2.156 -26.971 1.00 1.94 H new ATOM 0 HZ2 LYS A 62 12.776 1.618 -26.385 1.00 1.94 H new ATOM 0 HZ3 LYS A 62 11.709 0.521 -27.121 1.00 1.94 H new ATOM 999 N GLY A 63 8.940 -2.149 -21.393 1.00 0.51 N ATOM 1000 CA GLY A 63 7.453 -2.036 -21.625 1.00 0.80 C ATOM 1001 C GLY A 63 6.628 -2.907 -20.661 1.00 0.58 C ATOM 1002 O GLY A 63 5.650 -3.528 -21.038 1.00 0.54 O ATOM 0 H GLY A 63 9.309 -3.088 -21.542 1.00 0.51 H new ATOM 0 HA2 GLY A 63 7.151 -0.994 -21.514 1.00 0.80 H new ATOM 0 HA3 GLY A 63 7.228 -2.326 -22.651 1.00 0.80 H new ATOM 1006 N THR A 64 7.059 -2.913 -19.432 1.00 0.51 N ATOM 1007 CA THR A 64 6.334 -3.730 -18.383 1.00 0.30 C ATOM 1008 C THR A 64 5.375 -2.854 -17.594 1.00 0.12 C ATOM 1009 O THR A 64 5.435 -1.637 -17.550 1.00 0.32 O ATOM 1010 CB THR A 64 7.350 -4.408 -17.347 1.00 0.16 C ATOM 1011 OG1 THR A 64 7.401 -5.782 -17.695 1.00 0.25 O ATOM 1012 CG2 THR A 64 6.898 -4.549 -15.855 1.00 0.21 C ATOM 0 H THR A 64 7.873 -2.397 -19.097 1.00 0.51 H new ATOM 0 HA THR A 64 5.791 -4.510 -18.916 1.00 0.30 H new ATOM 0 HB THR A 64 8.235 -3.774 -17.408 1.00 0.16 H new ATOM 0 HG1 THR A 64 8.014 -6.250 -17.090 1.00 0.25 H new ATOM 0 HG21 THR A 64 7.691 -5.026 -15.278 1.00 0.21 H new ATOM 0 HG22 THR A 64 6.692 -3.561 -15.442 1.00 0.21 H new ATOM 0 HG23 THR A 64 5.996 -5.158 -15.804 1.00 0.21 H new ATOM 1020 N SER A 65 4.477 -3.543 -16.950 1.00 0.32 N ATOM 1021 CA SER A 65 3.472 -2.849 -16.124 1.00 0.47 C ATOM 1022 C SER A 65 4.189 -2.632 -14.810 1.00 0.56 C ATOM 1023 O SER A 65 4.542 -3.499 -14.038 1.00 0.68 O ATOM 1024 CB SER A 65 2.263 -3.700 -15.899 1.00 0.64 C ATOM 1025 OG SER A 65 2.739 -5.049 -15.876 1.00 1.01 O ATOM 0 H SER A 65 4.401 -4.560 -16.965 1.00 0.32 H new ATOM 0 HA SER A 65 3.117 -1.932 -16.594 1.00 0.47 H new ATOM 0 HB2 SER A 65 1.772 -3.442 -14.961 1.00 0.64 H new ATOM 0 HB3 SER A 65 1.530 -3.557 -16.693 1.00 0.64 H new ATOM 0 HG SER A 65 2.614 -5.425 -14.980 1.00 1.01 H new ATOM 1031 N LYS A 66 4.381 -1.377 -14.633 1.00 0.51 N ATOM 1032 CA LYS A 66 5.074 -0.784 -13.450 1.00 0.52 C ATOM 1033 C LYS A 66 4.893 -1.531 -12.120 1.00 0.55 C ATOM 1034 O LYS A 66 5.808 -1.779 -11.360 1.00 0.64 O ATOM 1035 CB LYS A 66 4.578 0.666 -13.487 1.00 0.53 C ATOM 1036 CG LYS A 66 5.222 1.231 -14.805 1.00 0.82 C ATOM 1037 CD LYS A 66 4.784 2.665 -15.164 1.00 1.03 C ATOM 1038 CE LYS A 66 5.649 3.747 -14.520 1.00 0.36 C ATOM 1039 NZ LYS A 66 7.096 3.457 -14.757 1.00 1.41 N ATOM 0 H LYS A 66 4.067 -0.676 -15.304 1.00 0.51 H new ATOM 0 HA LYS A 66 6.160 -0.859 -13.510 1.00 0.52 H new ATOM 0 HB2 LYS A 66 3.490 0.719 -13.516 1.00 0.53 H new ATOM 0 HB3 LYS A 66 4.901 1.225 -12.609 1.00 0.53 H new ATOM 0 HG2 LYS A 66 6.307 1.210 -14.703 1.00 0.82 H new ATOM 0 HG3 LYS A 66 4.967 0.569 -15.632 1.00 0.82 H new ATOM 0 HD2 LYS A 66 4.813 2.785 -16.247 1.00 1.03 H new ATOM 0 HD3 LYS A 66 3.748 2.808 -14.855 1.00 1.03 H new ATOM 0 HE2 LYS A 66 5.393 4.722 -14.934 1.00 0.36 H new ATOM 0 HE3 LYS A 66 5.450 3.793 -13.449 1.00 0.36 H new ATOM 0 HZ1 LYS A 66 7.598 3.428 -13.847 1.00 1.41 H new ATOM 0 HZ2 LYS A 66 7.192 2.538 -15.235 1.00 1.41 H new ATOM 0 HZ3 LYS A 66 7.506 4.203 -15.355 1.00 1.41 H new ATOM 1053 N GLU A 67 3.680 -1.872 -11.880 1.00 0.46 N ATOM 1054 CA GLU A 67 3.313 -2.607 -10.653 1.00 0.43 C ATOM 1055 C GLU A 67 4.091 -3.944 -10.526 1.00 0.35 C ATOM 1056 O GLU A 67 4.628 -4.242 -9.480 1.00 0.30 O ATOM 1057 CB GLU A 67 1.825 -2.754 -10.764 1.00 0.59 C ATOM 1058 CG GLU A 67 1.160 -1.370 -10.374 1.00 0.71 C ATOM 1059 CD GLU A 67 -0.126 -1.671 -9.584 1.00 2.05 C ATOM 1060 OE1 GLU A 67 -1.051 -2.160 -10.207 1.00 3.04 O ATOM 1061 OE2 GLU A 67 -0.055 -1.389 -8.398 1.00 2.48 O ATOM 0 H GLU A 67 2.897 -1.668 -12.500 1.00 0.46 H new ATOM 0 HA GLU A 67 3.584 -2.091 -9.732 1.00 0.43 H new ATOM 0 HB2 GLU A 67 1.546 -3.037 -11.779 1.00 0.59 H new ATOM 0 HB3 GLU A 67 1.471 -3.545 -10.103 1.00 0.59 H new ATOM 0 HG2 GLU A 67 1.846 -0.773 -9.774 1.00 0.71 H new ATOM 0 HG3 GLU A 67 0.932 -0.790 -11.269 1.00 0.71 H new ATOM 1068 N ASP A 68 4.158 -4.751 -11.550 1.00 0.38 N ATOM 1069 CA ASP A 68 4.912 -6.040 -11.473 1.00 0.38 C ATOM 1070 C ASP A 68 6.351 -5.739 -11.077 1.00 0.29 C ATOM 1071 O ASP A 68 6.958 -6.388 -10.242 1.00 0.27 O ATOM 1072 CB ASP A 68 4.688 -6.634 -12.847 1.00 0.37 C ATOM 1073 CG ASP A 68 3.255 -7.113 -12.796 1.00 0.27 C ATOM 1074 OD1 ASP A 68 3.029 -8.178 -12.259 1.00 1.63 O ATOM 1075 OD2 ASP A 68 2.441 -6.342 -13.270 1.00 1.25 O ATOM 0 H ASP A 68 3.716 -4.571 -12.451 1.00 0.38 H new ATOM 0 HA ASP A 68 4.596 -6.760 -10.718 1.00 0.38 H new ATOM 0 HB2 ASP A 68 4.836 -5.894 -13.633 1.00 0.37 H new ATOM 0 HB3 ASP A 68 5.378 -7.454 -13.047 1.00 0.37 H new ATOM 1080 N ALA A 69 6.863 -4.735 -11.709 1.00 0.27 N ATOM 1081 CA ALA A 69 8.263 -4.312 -11.404 1.00 0.21 C ATOM 1082 C ALA A 69 8.320 -4.184 -9.850 1.00 0.25 C ATOM 1083 O ALA A 69 9.199 -4.761 -9.235 1.00 0.28 O ATOM 1084 CB ALA A 69 8.507 -2.980 -12.103 1.00 0.12 C ATOM 0 H ALA A 69 6.384 -4.185 -12.422 1.00 0.27 H new ATOM 0 HA ALA A 69 9.028 -5.008 -11.748 1.00 0.21 H new ATOM 0 HB1 ALA A 69 9.523 -2.643 -11.899 1.00 0.12 H new ATOM 0 HB2 ALA A 69 8.374 -3.103 -13.178 1.00 0.12 H new ATOM 0 HB3 ALA A 69 7.798 -2.239 -11.732 1.00 0.12 H new ATOM 1090 N MET A 70 7.384 -3.449 -9.283 1.00 0.26 N ATOM 1091 CA MET A 70 7.306 -3.241 -7.796 1.00 0.29 C ATOM 1092 C MET A 70 7.259 -4.540 -6.999 1.00 0.29 C ATOM 1093 O MET A 70 8.101 -4.740 -6.148 1.00 0.32 O ATOM 1094 CB MET A 70 6.032 -2.489 -7.326 1.00 0.32 C ATOM 1095 CG MET A 70 5.850 -1.092 -7.820 1.00 0.34 C ATOM 1096 SD MET A 70 4.377 -0.352 -7.081 1.00 0.57 S ATOM 1097 CE MET A 70 4.526 1.252 -7.892 1.00 0.51 C ATOM 0 H MET A 70 6.650 -2.972 -9.807 1.00 0.26 H new ATOM 0 HA MET A 70 8.214 -2.667 -7.610 1.00 0.29 H new ATOM 0 HB2 MET A 70 5.163 -3.072 -7.630 1.00 0.32 H new ATOM 0 HB3 MET A 70 6.035 -2.466 -6.236 1.00 0.32 H new ATOM 0 HG2 MET A 70 6.728 -0.495 -7.574 1.00 0.34 H new ATOM 0 HG3 MET A 70 5.759 -1.092 -8.906 1.00 0.34 H new ATOM 0 HE1 MET A 70 3.703 1.895 -7.580 1.00 0.51 H new ATOM 0 HE2 MET A 70 5.473 1.714 -7.614 1.00 0.51 H new ATOM 0 HE3 MET A 70 4.492 1.118 -8.973 1.00 0.51 H new ATOM 1107 N LYS A 71 6.244 -5.313 -7.336 1.00 0.26 N ATOM 1108 CA LYS A 71 5.937 -6.649 -6.722 1.00 0.36 C ATOM 1109 C LYS A 71 7.203 -7.327 -6.220 1.00 0.42 C ATOM 1110 O LYS A 71 7.240 -7.805 -5.112 1.00 0.70 O ATOM 1111 CB LYS A 71 5.209 -7.511 -7.793 1.00 0.36 C ATOM 1112 CG LYS A 71 3.743 -7.049 -8.056 1.00 0.83 C ATOM 1113 CD LYS A 71 3.111 -8.079 -9.054 1.00 1.66 C ATOM 1114 CE LYS A 71 1.768 -7.624 -9.664 1.00 3.02 C ATOM 1115 NZ LYS A 71 1.957 -6.347 -10.427 1.00 3.73 N ATOM 0 H LYS A 71 5.576 -5.048 -8.060 1.00 0.26 H new ATOM 0 HA LYS A 71 5.292 -6.524 -5.852 1.00 0.36 H new ATOM 0 HB2 LYS A 71 5.770 -7.470 -8.727 1.00 0.36 H new ATOM 0 HB3 LYS A 71 5.203 -8.552 -7.470 1.00 0.36 H new ATOM 0 HG2 LYS A 71 3.176 -7.016 -7.126 1.00 0.83 H new ATOM 0 HG3 LYS A 71 3.725 -6.043 -8.476 1.00 0.83 H new ATOM 0 HD2 LYS A 71 3.819 -8.268 -9.861 1.00 1.66 H new ATOM 0 HD3 LYS A 71 2.960 -9.025 -8.535 1.00 1.66 H new ATOM 0 HE2 LYS A 71 1.379 -8.398 -10.325 1.00 3.02 H new ATOM 0 HE3 LYS A 71 1.031 -7.480 -8.874 1.00 3.02 H new ATOM 0 HZ1 LYS A 71 1.331 -5.614 -10.037 1.00 3.73 H new ATOM 0 HZ2 LYS A 71 2.946 -6.037 -10.345 1.00 3.73 H new ATOM 0 HZ3 LYS A 71 1.725 -6.504 -11.429 1.00 3.73 H new ATOM 1129 N ALA A 72 8.197 -7.358 -7.055 1.00 0.30 N ATOM 1130 CA ALA A 72 9.500 -7.975 -6.686 1.00 0.48 C ATOM 1131 C ALA A 72 10.459 -6.821 -6.308 1.00 0.41 C ATOM 1132 O ALA A 72 11.163 -6.986 -5.336 1.00 0.52 O ATOM 1133 CB ALA A 72 9.959 -8.783 -7.905 1.00 0.67 C ATOM 0 H ALA A 72 8.163 -6.974 -7.999 1.00 0.30 H new ATOM 0 HA ALA A 72 9.453 -8.651 -5.833 1.00 0.48 H new ATOM 0 HB1 ALA A 72 10.915 -9.259 -7.687 1.00 0.67 H new ATOM 0 HB2 ALA A 72 9.217 -9.548 -8.135 1.00 0.67 H new ATOM 0 HB3 ALA A 72 10.072 -8.118 -8.761 1.00 0.67 H new ATOM 1139 N TYR A 73 10.514 -5.707 -7.020 1.00 0.28 N ATOM 1140 CA TYR A 73 11.454 -4.595 -6.624 1.00 0.23 C ATOM 1141 C TYR A 73 11.574 -4.485 -5.114 1.00 0.21 C ATOM 1142 O TYR A 73 12.636 -4.652 -4.548 1.00 0.20 O ATOM 1143 CB TYR A 73 10.972 -3.246 -7.127 1.00 0.19 C ATOM 1144 CG TYR A 73 11.925 -2.168 -6.576 1.00 0.11 C ATOM 1145 CD1 TYR A 73 13.193 -2.028 -7.101 1.00 0.67 C ATOM 1146 CD2 TYR A 73 11.519 -1.326 -5.556 1.00 0.77 C ATOM 1147 CE1 TYR A 73 14.045 -1.064 -6.624 1.00 0.71 C ATOM 1148 CE2 TYR A 73 12.383 -0.358 -5.088 1.00 0.74 C ATOM 1149 CZ TYR A 73 13.639 -0.236 -5.627 1.00 0.17 C ATOM 1150 OH TYR A 73 14.527 0.707 -5.188 1.00 0.25 O ATOM 0 H TYR A 73 9.953 -5.522 -7.851 1.00 0.28 H new ATOM 0 HA TYR A 73 12.416 -4.845 -7.071 1.00 0.23 H new ATOM 0 HB2 TYR A 73 10.963 -3.226 -8.217 1.00 0.19 H new ATOM 0 HB3 TYR A 73 9.951 -3.058 -6.796 1.00 0.19 H new ATOM 0 HD1 TYR A 73 13.518 -2.684 -7.895 1.00 0.67 H new ATOM 0 HD2 TYR A 73 10.532 -1.426 -5.129 1.00 0.77 H new ATOM 0 HE1 TYR A 73 15.036 -0.964 -7.041 1.00 0.71 H new ATOM 0 HE2 TYR A 73 12.070 0.306 -4.295 1.00 0.74 H new ATOM 0 HH TYR A 73 14.478 1.497 -5.766 1.00 0.25 H new ATOM 1160 N ILE A 74 10.428 -4.219 -4.546 1.00 0.22 N ATOM 1161 CA ILE A 74 10.316 -4.059 -3.080 1.00 0.22 C ATOM 1162 C ILE A 74 10.951 -5.278 -2.410 1.00 0.27 C ATOM 1163 O ILE A 74 11.919 -5.150 -1.708 1.00 0.26 O ATOM 1164 CB ILE A 74 8.861 -3.958 -2.717 1.00 0.29 C ATOM 1165 CG1 ILE A 74 8.149 -2.786 -3.416 1.00 0.24 C ATOM 1166 CG2 ILE A 74 8.882 -3.664 -1.210 1.00 0.34 C ATOM 1167 CD1 ILE A 74 6.642 -3.104 -3.464 1.00 0.24 C ATOM 0 H ILE A 74 9.551 -4.105 -5.053 1.00 0.22 H new ATOM 0 HA ILE A 74 10.829 -3.158 -2.745 1.00 0.22 H new ATOM 0 HB ILE A 74 8.330 -4.864 -3.009 1.00 0.29 H new ATOM 0 HG12 ILE A 74 8.325 -1.856 -2.875 1.00 0.24 H new ATOM 0 HG13 ILE A 74 8.542 -2.648 -4.423 1.00 0.24 H new ATOM 0 HG21 ILE A 74 7.860 -3.571 -0.843 1.00 0.34 H new ATOM 0 HG22 ILE A 74 9.383 -4.479 -0.687 1.00 0.34 H new ATOM 0 HG23 ILE A 74 9.419 -2.733 -1.028 1.00 0.34 H new ATOM 0 HD11 ILE A 74 6.113 -2.287 -3.956 1.00 0.24 H new ATOM 0 HD12 ILE A 74 6.482 -4.027 -4.021 1.00 0.24 H new ATOM 0 HD13 ILE A 74 6.263 -3.223 -2.449 1.00 0.24 H new ATOM 1179 N ASP A 75 10.418 -6.438 -2.619 1.00 0.33 N ATOM 1180 CA ASP A 75 10.966 -7.692 -2.023 1.00 0.38 C ATOM 1181 C ASP A 75 12.494 -7.829 -2.180 1.00 0.29 C ATOM 1182 O ASP A 75 13.235 -8.307 -1.345 1.00 0.26 O ATOM 1183 CB ASP A 75 10.133 -8.738 -2.733 1.00 0.49 C ATOM 1184 CG ASP A 75 8.710 -8.708 -2.188 1.00 0.73 C ATOM 1185 OD1 ASP A 75 8.100 -7.661 -2.344 1.00 1.52 O ATOM 1186 OD2 ASP A 75 8.346 -9.742 -1.660 1.00 0.76 O ATOM 0 H ASP A 75 9.592 -6.582 -3.200 1.00 0.33 H new ATOM 0 HA ASP A 75 10.884 -7.760 -0.938 1.00 0.38 H new ATOM 0 HB2 ASP A 75 10.127 -8.547 -3.806 1.00 0.49 H new ATOM 0 HB3 ASP A 75 10.569 -9.726 -2.587 1.00 0.49 H new ATOM 1191 N LYS A 76 12.946 -7.379 -3.307 1.00 0.26 N ATOM 1192 CA LYS A 76 14.413 -7.451 -3.578 1.00 0.19 C ATOM 1193 C LYS A 76 15.074 -6.343 -2.761 1.00 0.11 C ATOM 1194 O LYS A 76 16.172 -6.501 -2.259 1.00 0.18 O ATOM 1195 CB LYS A 76 14.602 -7.305 -5.071 1.00 0.24 C ATOM 1196 CG LYS A 76 15.896 -8.067 -5.436 1.00 0.32 C ATOM 1197 CD LYS A 76 15.616 -9.579 -5.802 1.00 0.68 C ATOM 1198 CE LYS A 76 15.464 -10.590 -4.624 1.00 1.74 C ATOM 1199 NZ LYS A 76 14.166 -10.406 -3.888 1.00 2.86 N ATOM 0 H LYS A 76 12.379 -6.968 -4.049 1.00 0.26 H new ATOM 0 HA LYS A 76 14.873 -8.394 -3.284 1.00 0.19 H new ATOM 0 HB2 LYS A 76 13.748 -7.714 -5.610 1.00 0.24 H new ATOM 0 HB3 LYS A 76 14.681 -6.254 -5.349 1.00 0.24 H new ATOM 0 HG2 LYS A 76 16.380 -7.574 -6.279 1.00 0.32 H new ATOM 0 HG3 LYS A 76 16.591 -8.021 -4.598 1.00 0.32 H new ATOM 0 HD2 LYS A 76 14.704 -9.617 -6.398 1.00 0.68 H new ATOM 0 HD3 LYS A 76 16.428 -9.926 -6.440 1.00 0.68 H new ATOM 0 HE2 LYS A 76 15.521 -11.608 -5.010 1.00 1.74 H new ATOM 0 HE3 LYS A 76 16.295 -10.466 -3.930 1.00 1.74 H new ATOM 0 HZ1 LYS A 76 14.352 -9.983 -2.957 1.00 2.86 H new ATOM 0 HZ2 LYS A 76 13.543 -9.779 -4.435 1.00 2.86 H new ATOM 0 HZ3 LYS A 76 13.704 -11.329 -3.762 1.00 2.86 H new ATOM 1213 N VAL A 77 14.397 -5.243 -2.632 1.00 0.17 N ATOM 1214 CA VAL A 77 14.973 -4.124 -1.836 1.00 0.14 C ATOM 1215 C VAL A 77 15.017 -4.673 -0.412 1.00 0.20 C ATOM 1216 O VAL A 77 16.073 -4.634 0.191 1.00 0.21 O ATOM 1217 CB VAL A 77 14.058 -2.873 -1.886 1.00 0.18 C ATOM 1218 CG1 VAL A 77 14.469 -1.912 -0.741 1.00 0.26 C ATOM 1219 CG2 VAL A 77 14.219 -2.152 -3.246 1.00 0.18 C ATOM 0 H VAL A 77 13.478 -5.067 -3.038 1.00 0.17 H new ATOM 0 HA VAL A 77 15.947 -3.811 -2.212 1.00 0.14 H new ATOM 0 HB VAL A 77 13.017 -3.176 -1.769 1.00 0.18 H new ATOM 0 HG11 VAL A 77 13.834 -1.027 -0.763 1.00 0.26 H new ATOM 0 HG12 VAL A 77 14.353 -2.418 0.218 1.00 0.26 H new ATOM 0 HG13 VAL A 77 15.510 -1.615 -0.871 1.00 0.26 H new ATOM 0 HG21 VAL A 77 13.572 -1.275 -3.272 1.00 0.18 H new ATOM 0 HG22 VAL A 77 15.256 -1.842 -3.373 1.00 0.18 H new ATOM 0 HG23 VAL A 77 13.942 -2.831 -4.053 1.00 0.18 H new ATOM 1229 N GLU A 78 13.908 -5.162 0.101 1.00 0.36 N ATOM 1230 CA GLU A 78 13.883 -5.718 1.474 1.00 0.50 C ATOM 1231 C GLU A 78 15.054 -6.706 1.492 1.00 0.30 C ATOM 1232 O GLU A 78 15.867 -6.658 2.391 1.00 0.35 O ATOM 1233 CB GLU A 78 12.458 -6.336 1.694 1.00 0.78 C ATOM 1234 CG GLU A 78 11.753 -5.369 2.736 1.00 1.13 C ATOM 1235 CD GLU A 78 10.421 -5.861 3.303 1.00 1.32 C ATOM 1236 OE1 GLU A 78 9.652 -6.473 2.586 1.00 2.52 O ATOM 1237 OE2 GLU A 78 10.276 -5.556 4.476 1.00 1.80 O ATOM 0 H GLU A 78 13.014 -5.195 -0.389 1.00 0.36 H new ATOM 0 HA GLU A 78 14.018 -5.014 2.296 1.00 0.50 H new ATOM 0 HB2 GLU A 78 11.899 -6.385 0.759 1.00 0.78 H new ATOM 0 HB3 GLU A 78 12.523 -7.353 2.080 1.00 0.78 H new ATOM 0 HG2 GLU A 78 12.439 -5.198 3.566 1.00 1.13 H new ATOM 0 HG3 GLU A 78 11.588 -4.405 2.255 1.00 1.13 H new ATOM 1244 N GLU A 79 15.163 -7.604 0.546 1.00 0.25 N ATOM 1245 CA GLU A 79 16.343 -8.523 0.588 1.00 0.21 C ATOM 1246 C GLU A 79 17.634 -7.720 0.902 1.00 0.13 C ATOM 1247 O GLU A 79 18.328 -7.977 1.866 1.00 0.10 O ATOM 1248 CB GLU A 79 16.423 -9.225 -0.776 1.00 0.33 C ATOM 1249 CG GLU A 79 15.575 -10.506 -0.677 1.00 0.32 C ATOM 1250 CD GLU A 79 16.244 -11.380 0.378 1.00 1.85 C ATOM 1251 OE1 GLU A 79 17.262 -11.975 0.092 1.00 2.12 O ATOM 1252 OE2 GLU A 79 15.740 -11.419 1.480 1.00 3.12 O ATOM 0 H GLU A 79 14.513 -7.740 -0.228 1.00 0.25 H new ATOM 0 HA GLU A 79 16.238 -9.268 1.377 1.00 0.21 H new ATOM 0 HB2 GLU A 79 16.048 -8.575 -1.566 1.00 0.33 H new ATOM 0 HB3 GLU A 79 17.456 -9.466 -1.025 1.00 0.33 H new ATOM 0 HG2 GLU A 79 14.549 -10.272 -0.395 1.00 0.32 H new ATOM 0 HG3 GLU A 79 15.532 -11.019 -1.638 1.00 0.32 H new ATOM 1259 N LEU A 80 17.940 -6.764 0.070 1.00 0.13 N ATOM 1260 CA LEU A 80 19.159 -5.924 0.307 1.00 0.09 C ATOM 1261 C LEU A 80 19.207 -5.364 1.705 1.00 0.14 C ATOM 1262 O LEU A 80 20.181 -5.504 2.408 1.00 0.11 O ATOM 1263 CB LEU A 80 19.153 -4.792 -0.660 1.00 0.13 C ATOM 1264 CG LEU A 80 19.527 -5.308 -2.009 1.00 0.10 C ATOM 1265 CD1 LEU A 80 19.443 -4.150 -2.962 1.00 0.27 C ATOM 1266 CD2 LEU A 80 20.956 -5.862 -1.876 1.00 0.30 C ATOM 0 H LEU A 80 17.403 -6.524 -0.764 1.00 0.13 H new ATOM 0 HA LEU A 80 20.034 -6.561 0.173 1.00 0.09 H new ATOM 0 HB2 LEU A 80 18.166 -4.330 -0.693 1.00 0.13 H new ATOM 0 HB3 LEU A 80 19.856 -4.021 -0.343 1.00 0.13 H new ATOM 0 HG LEU A 80 18.876 -6.099 -2.381 1.00 0.10 H new ATOM 0 HD11 LEU A 80 19.710 -4.484 -3.965 1.00 0.27 H new ATOM 0 HD12 LEU A 80 18.426 -3.757 -2.969 1.00 0.27 H new ATOM 0 HD13 LEU A 80 20.132 -3.367 -2.645 1.00 0.27 H new ATOM 0 HD21 LEU A 80 21.285 -6.256 -2.838 1.00 0.30 H new ATOM 0 HD22 LEU A 80 21.628 -5.063 -1.562 1.00 0.30 H new ATOM 0 HD23 LEU A 80 20.969 -6.660 -1.134 1.00 0.30 H new ATOM 1278 N LYS A 81 18.132 -4.734 2.048 1.00 0.23 N ATOM 1279 CA LYS A 81 17.934 -4.091 3.383 1.00 0.31 C ATOM 1280 C LYS A 81 18.530 -4.965 4.504 1.00 0.30 C ATOM 1281 O LYS A 81 19.074 -4.480 5.468 1.00 0.32 O ATOM 1282 CB LYS A 81 16.438 -3.923 3.599 1.00 0.42 C ATOM 1283 CG LYS A 81 16.131 -3.089 4.862 1.00 0.66 C ATOM 1284 CD LYS A 81 14.603 -3.114 5.207 1.00 0.53 C ATOM 1285 CE LYS A 81 14.296 -2.311 6.518 1.00 0.73 C ATOM 1286 NZ LYS A 81 14.589 -0.855 6.307 1.00 1.29 N ATOM 0 H LYS A 81 17.331 -4.628 1.425 1.00 0.23 H new ATOM 0 HA LYS A 81 18.440 -3.126 3.409 1.00 0.31 H new ATOM 0 HB2 LYS A 81 15.997 -3.439 2.728 1.00 0.42 H new ATOM 0 HB3 LYS A 81 15.971 -4.904 3.689 1.00 0.42 H new ATOM 0 HG2 LYS A 81 16.702 -3.479 5.705 1.00 0.66 H new ATOM 0 HG3 LYS A 81 16.454 -2.059 4.707 1.00 0.66 H new ATOM 0 HD2 LYS A 81 14.035 -2.691 4.379 1.00 0.53 H new ATOM 0 HD3 LYS A 81 14.273 -4.146 5.326 1.00 0.53 H new ATOM 0 HE2 LYS A 81 13.251 -2.443 6.799 1.00 0.73 H new ATOM 0 HE3 LYS A 81 14.899 -2.697 7.340 1.00 0.73 H new ATOM 0 HZ1 LYS A 81 15.306 -0.542 6.992 1.00 1.29 H new ATOM 0 HZ2 LYS A 81 14.946 -0.709 5.341 1.00 1.29 H new ATOM 0 HZ3 LYS A 81 13.718 -0.303 6.441 1.00 1.29 H new ATOM 1300 N LYS A 82 18.408 -6.244 4.300 1.00 0.29 N ATOM 1301 CA LYS A 82 18.843 -7.320 5.172 1.00 0.35 C ATOM 1302 C LYS A 82 20.255 -7.774 4.887 1.00 0.33 C ATOM 1303 O LYS A 82 21.083 -7.948 5.753 1.00 0.37 O ATOM 1304 CB LYS A 82 17.717 -8.261 4.909 1.00 0.69 C ATOM 1305 CG LYS A 82 18.189 -9.576 4.723 1.00 1.67 C ATOM 1306 CD LYS A 82 16.933 -10.500 4.604 1.00 1.41 C ATOM 1307 CE LYS A 82 17.283 -11.886 4.086 1.00 2.93 C ATOM 1308 NZ LYS A 82 17.977 -11.672 2.780 1.00 4.11 N ATOM 0 H LYS A 82 17.967 -6.601 3.452 1.00 0.29 H new ATOM 0 HA LYS A 82 18.975 -7.111 6.234 1.00 0.35 H new ATOM 0 HB2 LYS A 82 17.016 -8.237 5.744 1.00 0.69 H new ATOM 0 HB3 LYS A 82 17.169 -7.939 4.023 1.00 0.69 H new ATOM 0 HG2 LYS A 82 18.803 -9.642 3.825 1.00 1.67 H new ATOM 0 HG3 LYS A 82 18.816 -9.883 5.560 1.00 1.67 H new ATOM 0 HD2 LYS A 82 16.457 -10.589 5.580 1.00 1.41 H new ATOM 0 HD3 LYS A 82 16.207 -10.038 3.936 1.00 1.41 H new ATOM 0 HE2 LYS A 82 17.927 -12.414 4.789 1.00 2.93 H new ATOM 0 HE3 LYS A 82 16.387 -12.493 3.957 1.00 2.93 H new ATOM 0 HZ1 LYS A 82 17.703 -12.423 2.114 1.00 4.11 H new ATOM 0 HZ2 LYS A 82 17.705 -10.747 2.390 1.00 4.11 H new ATOM 0 HZ3 LYS A 82 19.006 -11.697 2.926 1.00 4.11 H new ATOM 1322 N LYS A 83 20.470 -7.990 3.638 1.00 0.30 N ATOM 1323 CA LYS A 83 21.802 -8.433 3.167 1.00 0.28 C ATOM 1324 C LYS A 83 22.877 -7.498 3.700 1.00 0.29 C ATOM 1325 O LYS A 83 23.870 -7.902 4.273 1.00 0.41 O ATOM 1326 CB LYS A 83 21.798 -8.408 1.673 1.00 0.16 C ATOM 1327 CG LYS A 83 20.954 -9.570 1.194 1.00 0.15 C ATOM 1328 CD LYS A 83 20.419 -9.296 -0.216 1.00 0.17 C ATOM 1329 CE LYS A 83 19.781 -10.601 -0.658 1.00 0.34 C ATOM 1330 NZ LYS A 83 20.847 -11.561 -1.076 1.00 0.70 N ATOM 0 H LYS A 83 19.771 -7.878 2.904 1.00 0.30 H new ATOM 0 HA LYS A 83 22.014 -9.440 3.526 1.00 0.28 H new ATOM 0 HB2 LYS A 83 21.392 -7.465 1.308 1.00 0.16 H new ATOM 0 HB3 LYS A 83 22.814 -8.489 1.287 1.00 0.16 H new ATOM 0 HG2 LYS A 83 21.549 -10.484 1.193 1.00 0.15 H new ATOM 0 HG3 LYS A 83 20.123 -9.731 1.880 1.00 0.15 H new ATOM 0 HD2 LYS A 83 19.692 -8.484 -0.211 1.00 0.17 H new ATOM 0 HD3 LYS A 83 21.222 -9.001 -0.892 1.00 0.17 H new ATOM 0 HE2 LYS A 83 19.194 -11.025 0.157 1.00 0.34 H new ATOM 0 HE3 LYS A 83 19.095 -10.421 -1.485 1.00 0.34 H new ATOM 0 HZ1 LYS A 83 20.417 -12.353 -1.595 1.00 0.70 H new ATOM 0 HZ2 LYS A 83 21.530 -11.075 -1.691 1.00 0.70 H new ATOM 0 HZ3 LYS A 83 21.337 -11.924 -0.234 1.00 0.70 H new ATOM 1344 N TYR A 84 22.589 -6.248 3.481 1.00 0.21 N ATOM 1345 CA TYR A 84 23.571 -5.235 3.956 1.00 0.29 C ATOM 1346 C TYR A 84 23.075 -4.697 5.322 1.00 0.40 C ATOM 1347 O TYR A 84 23.953 -4.581 6.158 1.00 0.52 O ATOM 1348 CB TYR A 84 23.758 -4.197 2.718 1.00 0.26 C ATOM 1349 CG TYR A 84 24.121 -5.161 1.559 1.00 0.20 C ATOM 1350 CD1 TYR A 84 25.433 -5.598 1.467 1.00 0.93 C ATOM 1351 CD2 TYR A 84 23.185 -5.682 0.659 1.00 0.79 C ATOM 1352 CE1 TYR A 84 25.796 -6.533 0.524 1.00 0.91 C ATOM 1353 CE2 TYR A 84 23.567 -6.616 -0.271 1.00 0.79 C ATOM 1354 CZ TYR A 84 24.866 -7.043 -0.341 1.00 0.16 C ATOM 1355 OH TYR A 84 25.246 -7.976 -1.277 1.00 0.16 O ATOM 0 H TYR A 84 21.754 -5.892 3.015 1.00 0.21 H new ATOM 0 HA TYR A 84 24.576 -5.589 4.187 1.00 0.29 H new ATOM 0 HB2 TYR A 84 22.847 -3.634 2.513 1.00 0.26 H new ATOM 0 HB3 TYR A 84 24.547 -3.469 2.908 1.00 0.26 H new ATOM 0 HD1 TYR A 84 26.178 -5.201 2.141 1.00 0.93 H new ATOM 0 HD2 TYR A 84 22.159 -5.348 0.696 1.00 0.79 H new ATOM 0 HE1 TYR A 84 26.822 -6.866 0.466 1.00 0.91 H new ATOM 0 HE2 TYR A 84 22.835 -7.019 -0.955 1.00 0.79 H new ATOM 0 HH TYR A 84 24.465 -8.249 -1.802 1.00 0.16 H new ATOM 1365 N GLY A 85 21.830 -4.361 5.613 1.00 0.36 N ATOM 1366 CA GLY A 85 21.560 -3.887 7.041 1.00 0.50 C ATOM 1367 C GLY A 85 21.014 -2.513 7.346 1.00 0.52 C ATOM 1368 O GLY A 85 21.702 -1.686 7.914 1.00 0.52 O ATOM 0 H GLY A 85 21.031 -4.387 4.979 1.00 0.36 H new ATOM 0 HA2 GLY A 85 20.868 -4.604 7.483 1.00 0.50 H new ATOM 0 HA3 GLY A 85 22.501 -3.977 7.584 1.00 0.50 H new ATOM 1372 N ILE A 86 19.803 -2.309 6.936 1.00 0.53 N ATOM 1373 CA ILE A 86 19.078 -1.055 7.136 1.00 0.55 C ATOM 1374 C ILE A 86 17.612 -1.293 7.638 1.00 0.81 C ATOM 1375 O ILE A 86 16.907 -0.331 7.912 1.00 1.54 O ATOM 1376 CB ILE A 86 19.233 -0.345 5.758 1.00 0.34 C ATOM 1377 CG1 ILE A 86 17.932 -0.022 5.044 1.00 0.50 C ATOM 1378 CG2 ILE A 86 20.205 -0.975 4.744 1.00 0.91 C ATOM 1379 CD1 ILE A 86 17.831 1.500 4.942 1.00 0.39 C ATOM 1380 OXT ILE A 86 17.241 -2.449 7.726 1.00 1.89 O ATOM 0 H ILE A 86 19.261 -3.015 6.439 1.00 0.53 H new ATOM 0 HA ILE A 86 19.466 -0.424 7.936 1.00 0.55 H new ATOM 0 HB ILE A 86 19.694 0.580 6.104 1.00 0.34 H new ATOM 0 HG12 ILE A 86 17.916 -0.475 4.053 1.00 0.50 H new ATOM 0 HG13 ILE A 86 17.082 -0.427 5.593 1.00 0.50 H new ATOM 0 HG21 ILE A 86 20.215 -0.380 3.831 1.00 0.91 H new ATOM 0 HG22 ILE A 86 21.208 -1.002 5.170 1.00 0.91 H new ATOM 0 HG23 ILE A 86 19.882 -1.990 4.512 1.00 0.91 H new ATOM 0 HD11 ILE A 86 16.906 1.770 4.433 1.00 0.39 H new ATOM 0 HD12 ILE A 86 17.834 1.933 5.942 1.00 0.39 H new ATOM 0 HD13 ILE A 86 18.681 1.884 4.378 1.00 0.39 H new