USER MOD reduce.3.24.130724 H: found=0, std=0, add=1149, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1147 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 75 TYR OH : rot 10:sc= 0.145 USER MOD Set 1.2: A 81 ASN : amide:sc= 1.92 K(o=5.5,f=-8.8!) USER MOD Set 1.3: A 110 TYR OH : rot 150:sc= 1.04 USER MOD Set 1.4: A 123 LYS NZ :NH3+ 166:sc= 2.35 (180deg=0) USER MOD Set 2.1: A 97 ASN : amide:sc= 1.09 K(o=2.3,f=-8.5!) USER MOD Set 2.2: A 101 LYS NZ :NH3+ -176:sc= 1.2 (180deg=0) USER MOD Set 3.1: A 91 CYS SG : rot 180:sc= -0.115 USER MOD Set 3.2: A 93 SER OG : rot 180:sc= 0.0202 USER MOD Set 4.1: A 21 ASN : amide:sc= 0.135 K(o=1.5,f=-0.59) USER MOD Set 4.2: A 25 ASN : amide:sc= 1.33 K(o=1.5,f=-0.022) USER MOD Set 5.1: A 14 THR OG1 : rot 180:sc= 0.118 USER MOD Set 5.2: A 18 CYS SG : rot 180:sc= 0 USER MOD Set 6.1: A 5 LYS NZ :NH3+ 169:sc= 1.24 (180deg=0) USER MOD Set 6.2: A 149 GLN : amide:sc= -0.023 K(o=1.2,f=-10!) USER MOD Set 7.1: A 4 GLN : amide:sc= 2.69 K(o=4,f=-11!) USER MOD Set 7.2: A 78 SER OG : rot -100:sc= 1.27 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -148:sc= 0.213 (180deg=0) USER MOD Single : A 6 CYS SG : rot 64:sc= -0.261 USER MOD Single : A 9 GLN : amide:sc= -2.22! C(o=-2.2!,f=-6.1!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 162:sc= -0.201 (180deg=-1.2) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.351 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00434 USER MOD Single : A 27 GLN : amide:sc= 0.849 K(o=0.85,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 150:sc= 0 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -118:sc= 1.1 (180deg=0.532) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot -18:sc= 0.206 USER MOD Single : A 54 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.044) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.0802 F(o=-2,f=-0.08) USER MOD Single : A 63 GLN : amide:sc= 1.07 K(o=1.1,f=-1.4!) USER MOD Single : A 72 MET CE :methyl 171:sc= 0 (180deg=-0.118) USER MOD Single : A 85 THR OG1 : rot -58:sc= 0.659 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -175:sc= -2.08 (180deg=-2.29) USER MOD Single : A 90 THR OG1 : rot -45:sc= 0.871 USER MOD Single : A 94 CYS SG : rot 180:sc=-0.00437 USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -72:sc= 1.16 USER MOD Single : A 105 THR OG1 : rot 88:sc= 0.877 USER MOD Single : A 106 ASN : amide:sc= -0.114 K(o=-0.11,f=-4.7!) USER MOD Single : A 109 THR OG1 : rot 50:sc= 0.16 USER MOD Single : A 112 SER OG : rot -7:sc= 0.254 USER MOD Single : A 117 THR OG1 : rot 157:sc= 0.917 USER MOD Single : A 118 SER OG : rot 19:sc= 1.17 USER MOD Single : A 119 LYS NZ :NH3+ 156:sc= 1.18 (180deg=0.285) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 HIS : no HD1:sc=-0.00797 X(o=-0.008,f=0) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.879 -8.410 6.148 1.00 5.86 N ATOM 2 CA MET A 1 -15.228 -8.393 4.829 1.00 5.70 C ATOM 3 C MET A 1 -13.745 -8.664 5.066 1.00 4.95 C ATOM 4 O MET A 1 -13.426 -9.114 6.166 1.00 5.15 O ATOM 5 CB MET A 1 -15.488 -7.047 4.138 1.00 6.17 C ATOM 6 CG MET A 1 -16.133 -7.211 2.758 1.00 7.27 C ATOM 7 SD MET A 1 -17.812 -7.880 2.804 1.00 8.12 S ATOM 8 CE MET A 1 -18.490 -7.078 1.334 1.00 9.23 C ATOM 0 H1 MET A 1 -16.851 -8.767 6.051 1.00 5.86 H new ATOM 0 H2 MET A 1 -15.345 -9.029 6.791 1.00 5.86 H new ATOM 0 H3 MET A 1 -15.902 -7.445 6.536 1.00 5.86 H new ATOM 0 HA MET A 1 -15.627 -9.156 4.161 1.00 5.70 H new ATOM 0 HB2 MET A 1 -16.136 -6.438 4.768 1.00 6.17 H new ATOM 0 HB3 MET A 1 -14.546 -6.508 4.034 1.00 6.17 H new ATOM 0 HG2 MET A 1 -16.153 -6.241 2.260 1.00 7.27 H new ATOM 0 HG3 MET A 1 -15.508 -7.867 2.152 1.00 7.27 H new ATOM 0 HE1 MET A 1 -19.530 -7.377 1.203 1.00 9.23 H new ATOM 0 HE2 MET A 1 -18.436 -5.996 1.452 1.00 9.23 H new ATOM 0 HE3 MET A 1 -17.914 -7.376 0.458 1.00 9.23 H new ATOM 20 N ALA A 2 -12.873 -8.370 4.100 1.00 4.32 N ATOM 21 CA ALA A 2 -11.430 -8.343 4.290 1.00 3.75 C ATOM 22 C ALA A 2 -10.999 -6.870 4.329 1.00 3.11 C ATOM 23 O ALA A 2 -10.714 -6.301 3.277 1.00 3.27 O ATOM 24 CB ALA A 2 -10.765 -9.110 3.140 1.00 3.93 C ATOM 0 H ALA A 2 -13.160 -8.141 3.148 1.00 4.32 H new ATOM 0 HA ALA A 2 -11.128 -8.823 5.221 1.00 3.75 H new ATOM 0 HB1 ALA A 2 -9.683 -9.097 3.271 1.00 3.93 H new ATOM 0 HB2 ALA A 2 -11.118 -10.141 3.139 1.00 3.93 H new ATOM 0 HB3 ALA A 2 -11.021 -8.638 2.192 1.00 3.93 H new ATOM 30 N PRO A 3 -10.974 -6.214 5.501 1.00 2.65 N ATOM 31 CA PRO A 3 -10.693 -4.790 5.583 1.00 2.31 C ATOM 32 C PRO A 3 -9.204 -4.529 5.375 1.00 2.16 C ATOM 33 O PRO A 3 -8.380 -5.050 6.124 1.00 2.45 O ATOM 34 CB PRO A 3 -11.124 -4.373 6.988 1.00 2.46 C ATOM 35 CG PRO A 3 -10.916 -5.645 7.814 1.00 2.78 C ATOM 36 CD PRO A 3 -11.241 -6.763 6.822 1.00 2.88 C ATOM 0 HA PRO A 3 -11.221 -4.225 4.815 1.00 2.31 H new ATOM 0 HB2 PRO A 3 -10.522 -3.546 7.364 1.00 2.46 H new ATOM 0 HB3 PRO A 3 -12.163 -4.046 7.009 1.00 2.46 H new ATOM 0 HG2 PRO A 3 -9.894 -5.721 8.186 1.00 2.78 H new ATOM 0 HG3 PRO A 3 -11.574 -5.673 8.682 1.00 2.78 H new ATOM 0 HD2 PRO A 3 -10.627 -7.643 7.011 1.00 2.88 H new ATOM 0 HD3 PRO A 3 -12.281 -7.075 6.912 1.00 2.88 H new ATOM 44 N GLN A 4 -8.858 -3.686 4.401 1.00 1.83 N ATOM 45 CA GLN A 4 -7.477 -3.300 4.155 1.00 1.70 C ATOM 46 C GLN A 4 -7.305 -1.840 4.544 1.00 1.56 C ATOM 47 O GLN A 4 -8.121 -1.003 4.166 1.00 1.60 O ATOM 48 CB GLN A 4 -7.107 -3.490 2.682 1.00 1.75 C ATOM 49 CG GLN A 4 -7.582 -4.827 2.111 1.00 1.85 C ATOM 50 CD GLN A 4 -7.120 -6.047 2.883 1.00 2.13 C ATOM 51 OE1 GLN A 4 -5.932 -6.207 3.126 1.00 2.96 O ATOM 52 NE2 GLN A 4 -8.037 -6.936 3.221 1.00 2.15 N ATOM 0 H GLN A 4 -9.529 -3.255 3.765 1.00 1.83 H new ATOM 0 HA GLN A 4 -6.818 -3.932 4.751 1.00 1.70 H new ATOM 0 HB2 GLN A 4 -7.540 -2.678 2.097 1.00 1.75 H new ATOM 0 HB3 GLN A 4 -6.025 -3.420 2.574 1.00 1.75 H new ATOM 0 HG2 GLN A 4 -8.672 -4.826 2.079 1.00 1.85 H new ATOM 0 HG3 GLN A 4 -7.233 -4.912 1.082 1.00 1.85 H new ATOM 0 HE21 GLN A 4 -9.018 -6.766 3.000 1.00 2.15 H new ATOM 0 HE22 GLN A 4 -7.764 -7.793 3.702 1.00 2.15 H new ATOM 61 N LYS A 5 -6.222 -1.515 5.249 1.00 1.51 N ATOM 62 CA LYS A 5 -5.946 -0.146 5.645 1.00 1.43 C ATOM 63 C LYS A 5 -5.081 0.507 4.573 1.00 1.39 C ATOM 64 O LYS A 5 -4.208 -0.149 4.013 1.00 1.52 O ATOM 65 CB LYS A 5 -5.276 -0.085 7.024 1.00 1.48 C ATOM 66 CG LYS A 5 -4.154 -1.114 7.212 1.00 2.65 C ATOM 67 CD LYS A 5 -3.248 -0.656 8.358 1.00 2.84 C ATOM 68 CE LYS A 5 -2.251 -1.758 8.727 1.00 3.13 C ATOM 69 NZ LYS A 5 -1.208 -1.260 9.644 1.00 3.52 N ATOM 0 H LYS A 5 -5.521 -2.190 5.556 1.00 1.51 H new ATOM 0 HA LYS A 5 -6.884 0.402 5.734 1.00 1.43 H new ATOM 0 HB2 LYS A 5 -4.869 0.915 7.176 1.00 1.48 H new ATOM 0 HB3 LYS A 5 -6.033 -0.242 7.793 1.00 1.48 H new ATOM 0 HG2 LYS A 5 -4.575 -2.095 7.433 1.00 2.65 H new ATOM 0 HG3 LYS A 5 -3.577 -1.215 6.293 1.00 2.65 H new ATOM 0 HD2 LYS A 5 -2.710 0.246 8.066 1.00 2.84 H new ATOM 0 HD3 LYS A 5 -3.853 -0.399 9.227 1.00 2.84 H new ATOM 0 HE2 LYS A 5 -2.781 -2.588 9.194 1.00 3.13 H new ATOM 0 HE3 LYS A 5 -1.785 -2.147 7.821 1.00 3.13 H new ATOM 0 HZ1 LYS A 5 -0.664 -2.063 10.020 1.00 3.52 H new ATOM 0 HZ2 LYS A 5 -0.570 -0.620 9.129 1.00 3.52 H new ATOM 0 HZ3 LYS A 5 -1.654 -0.746 10.430 1.00 3.52 H new ATOM 83 N CYS A 6 -5.354 1.779 4.275 1.00 1.25 N ATOM 84 CA CYS A 6 -4.597 2.579 3.319 1.00 1.20 C ATOM 85 C CYS A 6 -4.018 3.774 4.059 1.00 1.11 C ATOM 86 O CYS A 6 -4.750 4.409 4.818 1.00 1.10 O ATOM 87 CB CYS A 6 -5.510 3.093 2.209 1.00 1.20 C ATOM 88 SG CYS A 6 -4.476 3.695 0.863 1.00 2.44 S ATOM 0 H CYS A 6 -6.126 2.290 4.703 1.00 1.25 H new ATOM 0 HA CYS A 6 -3.812 1.966 2.876 1.00 1.20 H new ATOM 0 HB2 CYS A 6 -6.166 2.297 1.857 1.00 1.20 H new ATOM 0 HB3 CYS A 6 -6.150 3.892 2.583 1.00 1.20 H new ATOM 0 HG CYS A 6 -3.797 2.706 0.362 1.00 2.44 H new ATOM 94 N PHE A 7 -2.726 4.050 3.867 1.00 1.14 N ATOM 95 CA PHE A 7 -2.008 5.147 4.506 1.00 1.07 C ATOM 96 C PHE A 7 -1.772 6.239 3.471 1.00 0.98 C ATOM 97 O PHE A 7 -0.859 6.121 2.653 1.00 1.06 O ATOM 98 CB PHE A 7 -0.652 4.660 5.046 1.00 1.23 C ATOM 99 CG PHE A 7 -0.641 4.096 6.454 1.00 1.46 C ATOM 100 CD1 PHE A 7 -1.741 3.384 6.971 1.00 2.39 C ATOM 101 CD2 PHE A 7 0.470 4.355 7.280 1.00 2.20 C ATOM 102 CE1 PHE A 7 -1.781 3.048 8.335 1.00 2.70 C ATOM 103 CE2 PHE A 7 0.446 3.980 8.633 1.00 2.51 C ATOM 104 CZ PHE A 7 -0.692 3.354 9.168 1.00 2.28 C ATOM 0 H PHE A 7 -2.136 3.498 3.244 1.00 1.14 H new ATOM 0 HA PHE A 7 -2.599 5.529 5.339 1.00 1.07 H new ATOM 0 HB2 PHE A 7 -0.272 3.894 4.370 1.00 1.23 H new ATOM 0 HB3 PHE A 7 0.048 5.494 5.008 1.00 1.23 H new ATOM 0 HD1 PHE A 7 -2.553 3.097 6.320 1.00 2.39 H new ATOM 0 HD2 PHE A 7 1.343 4.843 6.872 1.00 2.20 H new ATOM 0 HE1 PHE A 7 -2.650 2.554 8.743 1.00 2.70 H new ATOM 0 HE2 PHE A 7 1.302 4.173 9.262 1.00 2.51 H new ATOM 0 HZ PHE A 7 -0.730 3.108 10.219 1.00 2.28 H new ATOM 114 N LEU A 8 -2.555 7.319 3.511 1.00 0.87 N ATOM 115 CA LEU A 8 -2.317 8.451 2.640 1.00 0.83 C ATOM 116 C LEU A 8 -2.301 9.758 3.410 1.00 0.83 C ATOM 117 O LEU A 8 -2.560 9.797 4.610 1.00 0.90 O ATOM 118 CB LEU A 8 -3.232 8.428 1.403 1.00 0.81 C ATOM 119 CG LEU A 8 -4.749 8.419 1.566 1.00 1.19 C ATOM 120 CD1 LEU A 8 -5.308 8.840 0.204 1.00 1.96 C ATOM 121 CD2 LEU A 8 -5.262 7.008 1.867 1.00 2.59 C ATOM 0 H LEU A 8 -3.353 7.425 4.137 1.00 0.87 H new ATOM 0 HA LEU A 8 -1.311 8.364 2.230 1.00 0.83 H new ATOM 0 HB2 LEU A 8 -2.978 9.298 0.798 1.00 0.81 H new ATOM 0 HB3 LEU A 8 -2.965 7.546 0.821 1.00 0.81 H new ATOM 0 HG LEU A 8 -5.050 9.074 2.384 1.00 1.19 H new ATOM 0 HD11 LEU A 8 -6.397 8.856 0.247 1.00 1.96 H new ATOM 0 HD12 LEU A 8 -4.940 9.835 -0.048 1.00 1.96 H new ATOM 0 HD13 LEU A 8 -4.985 8.130 -0.557 1.00 1.96 H new ATOM 0 HD21 LEU A 8 -6.346 7.031 1.978 1.00 2.59 H new ATOM 0 HD22 LEU A 8 -4.996 6.341 1.047 1.00 2.59 H new ATOM 0 HD23 LEU A 8 -4.810 6.646 2.790 1.00 2.59 H new ATOM 133 N GLN A 9 -1.924 10.831 2.721 1.00 0.79 N ATOM 134 CA GLN A 9 -2.004 12.177 3.237 1.00 0.79 C ATOM 135 C GLN A 9 -2.876 12.979 2.285 1.00 0.75 C ATOM 136 O GLN A 9 -2.991 12.655 1.098 1.00 0.82 O ATOM 137 CB GLN A 9 -0.609 12.774 3.508 1.00 0.89 C ATOM 138 CG GLN A 9 0.517 12.466 2.504 1.00 1.35 C ATOM 139 CD GLN A 9 0.566 13.433 1.326 1.00 1.15 C ATOM 140 OE1 GLN A 9 1.526 14.180 1.162 1.00 1.87 O ATOM 141 NE2 GLN A 9 -0.454 13.434 0.480 1.00 1.06 N ATOM 0 H GLN A 9 -1.549 10.780 1.774 1.00 0.79 H new ATOM 0 HA GLN A 9 -2.474 12.198 4.220 1.00 0.79 H new ATOM 0 HB2 GLN A 9 -0.715 13.857 3.568 1.00 0.89 H new ATOM 0 HB3 GLN A 9 -0.284 12.430 4.490 1.00 0.89 H new ATOM 0 HG2 GLN A 9 1.474 12.492 3.025 1.00 1.35 H new ATOM 0 HG3 GLN A 9 0.388 11.452 2.126 1.00 1.35 H new ATOM 0 HE21 GLN A 9 -1.243 12.806 0.632 1.00 1.06 H new ATOM 0 HE22 GLN A 9 -0.450 14.063 -0.323 1.00 1.06 H new ATOM 150 N ILE A 10 -3.503 14.011 2.835 1.00 0.74 N ATOM 151 CA ILE A 10 -4.318 14.946 2.107 1.00 0.78 C ATOM 152 C ILE A 10 -3.438 16.155 1.818 1.00 0.94 C ATOM 153 O ILE A 10 -2.577 16.490 2.631 1.00 1.24 O ATOM 154 CB ILE A 10 -5.513 15.321 2.999 1.00 0.86 C ATOM 155 CG1 ILE A 10 -6.398 14.110 3.342 1.00 0.78 C ATOM 156 CG2 ILE A 10 -6.338 16.450 2.386 1.00 0.99 C ATOM 157 CD1 ILE A 10 -6.827 13.287 2.124 1.00 0.69 C ATOM 0 H ILE A 10 -3.450 14.218 3.832 1.00 0.74 H new ATOM 0 HA ILE A 10 -4.702 14.541 1.171 1.00 0.78 H new ATOM 0 HB ILE A 10 -5.094 15.682 3.938 1.00 0.86 H new ATOM 0 HG12 ILE A 10 -5.858 13.463 4.033 1.00 0.78 H new ATOM 0 HG13 ILE A 10 -7.289 14.460 3.863 1.00 0.78 H new ATOM 0 HG21 ILE A 10 -7.174 16.688 3.044 1.00 0.99 H new ATOM 0 HG22 ILE A 10 -5.711 17.333 2.262 1.00 0.99 H new ATOM 0 HG23 ILE A 10 -6.719 16.136 1.414 1.00 0.99 H new ATOM 0 HD11 ILE A 10 -7.448 12.452 2.449 1.00 0.69 H new ATOM 0 HD12 ILE A 10 -7.396 13.918 1.441 1.00 0.69 H new ATOM 0 HD13 ILE A 10 -5.943 12.905 1.614 1.00 0.69 H new ATOM 169 N LYS A 11 -3.663 16.828 0.691 1.00 0.81 N ATOM 170 CA LYS A 11 -3.211 18.197 0.509 1.00 0.89 C ATOM 171 C LYS A 11 -4.441 19.007 0.094 1.00 0.90 C ATOM 172 O LYS A 11 -5.243 18.541 -0.715 1.00 1.04 O ATOM 173 CB LYS A 11 -2.037 18.281 -0.477 1.00 0.99 C ATOM 174 CG LYS A 11 -0.955 17.226 -0.205 1.00 1.11 C ATOM 175 CD LYS A 11 0.236 17.454 -1.146 1.00 1.58 C ATOM 176 CE LYS A 11 1.341 16.425 -0.885 1.00 2.40 C ATOM 177 NZ LYS A 11 2.489 16.595 -1.795 1.00 3.06 N ATOM 0 H LYS A 11 -4.159 16.440 -0.112 1.00 0.81 H new ATOM 0 HA LYS A 11 -2.802 18.615 1.429 1.00 0.89 H new ATOM 0 HB2 LYS A 11 -2.412 18.157 -1.493 1.00 0.99 H new ATOM 0 HB3 LYS A 11 -1.592 19.274 -0.421 1.00 0.99 H new ATOM 0 HG2 LYS A 11 -0.628 17.286 0.833 1.00 1.11 H new ATOM 0 HG3 LYS A 11 -1.363 16.226 -0.354 1.00 1.11 H new ATOM 0 HD2 LYS A 11 -0.095 17.384 -2.182 1.00 1.58 H new ATOM 0 HD3 LYS A 11 0.630 18.461 -1.004 1.00 1.58 H new ATOM 0 HE2 LYS A 11 1.681 16.514 0.147 1.00 2.40 H new ATOM 0 HE3 LYS A 11 0.934 15.420 -1.001 1.00 2.40 H new ATOM 0 HZ1 LYS A 11 3.211 15.877 -1.581 1.00 3.06 H new ATOM 0 HZ2 LYS A 11 2.171 16.484 -2.779 1.00 3.06 H new ATOM 0 HZ3 LYS A 11 2.896 17.544 -1.667 1.00 3.06 H new ATOM 191 N GLY A 12 -4.639 20.164 0.730 1.00 0.88 N ATOM 192 CA GLY A 12 -5.861 20.949 0.646 1.00 0.93 C ATOM 193 C GLY A 12 -6.178 21.482 2.041 1.00 0.95 C ATOM 194 O GLY A 12 -5.626 22.503 2.437 1.00 1.29 O ATOM 0 H GLY A 12 -3.932 20.587 1.332 1.00 0.88 H new ATOM 0 HA2 GLY A 12 -5.737 21.773 -0.057 1.00 0.93 H new ATOM 0 HA3 GLY A 12 -6.683 20.336 0.277 1.00 0.93 H new ATOM 198 N MET A 13 -7.021 20.763 2.791 1.00 0.85 N ATOM 199 CA MET A 13 -7.401 21.077 4.168 1.00 0.91 C ATOM 200 C MET A 13 -7.871 22.526 4.332 1.00 1.00 C ATOM 201 O MET A 13 -7.176 23.346 4.926 1.00 1.07 O ATOM 202 CB MET A 13 -6.271 20.778 5.161 1.00 1.06 C ATOM 203 CG MET A 13 -5.708 19.359 5.086 1.00 1.35 C ATOM 204 SD MET A 13 -4.318 19.113 6.218 1.00 1.93 S ATOM 205 CE MET A 13 -3.816 17.457 5.725 1.00 1.88 C ATOM 0 H MET A 13 -7.472 19.917 2.441 1.00 0.85 H new ATOM 0 HA MET A 13 -8.243 20.423 4.396 1.00 0.91 H new ATOM 0 HB2 MET A 13 -5.459 21.485 4.989 1.00 1.06 H new ATOM 0 HB3 MET A 13 -6.639 20.955 6.172 1.00 1.06 H new ATOM 0 HG2 MET A 13 -6.497 18.644 5.321 1.00 1.35 H new ATOM 0 HG3 MET A 13 -5.384 19.152 4.066 1.00 1.35 H new ATOM 0 HE1 MET A 13 -2.802 17.265 6.076 1.00 1.88 H new ATOM 0 HE2 MET A 13 -4.496 16.726 6.162 1.00 1.88 H new ATOM 0 HE3 MET A 13 -3.846 17.376 4.638 1.00 1.88 H new ATOM 215 N THR A 14 -9.088 22.834 3.876 1.00 1.20 N ATOM 216 CA THR A 14 -9.695 24.142 4.079 1.00 1.35 C ATOM 217 C THR A 14 -9.630 24.577 5.548 1.00 1.19 C ATOM 218 O THR A 14 -9.417 25.758 5.801 1.00 1.43 O ATOM 219 CB THR A 14 -11.140 24.112 3.572 1.00 1.73 C ATOM 220 OG1 THR A 14 -11.240 23.176 2.517 1.00 2.16 O ATOM 221 CG2 THR A 14 -11.604 25.487 3.086 1.00 2.17 C ATOM 0 H THR A 14 -9.675 22.181 3.357 1.00 1.20 H new ATOM 0 HA THR A 14 -9.131 24.881 3.511 1.00 1.35 H new ATOM 0 HB THR A 14 -11.785 23.822 4.402 1.00 1.73 H new ATOM 0 HG1 THR A 14 -12.163 23.150 2.189 1.00 2.16 H new ATOM 0 HG21 THR A 14 -12.634 25.420 2.735 1.00 2.17 H new ATOM 0 HG22 THR A 14 -11.546 26.202 3.907 1.00 2.17 H new ATOM 0 HG23 THR A 14 -10.963 25.820 2.269 1.00 2.17 H new ATOM 229 N CYS A 15 -9.813 23.626 6.484 1.00 1.26 N ATOM 230 CA CYS A 15 -9.462 23.705 7.907 1.00 1.55 C ATOM 231 C CYS A 15 -10.629 23.204 8.746 1.00 1.46 C ATOM 232 O CYS A 15 -10.588 22.095 9.271 1.00 1.96 O ATOM 233 CB CYS A 15 -9.001 25.092 8.394 1.00 2.48 C ATOM 234 SG CYS A 15 -8.752 25.030 10.184 1.00 3.12 S ATOM 0 H CYS A 15 -10.236 22.729 6.248 1.00 1.26 H new ATOM 0 HA CYS A 15 -8.588 23.065 8.033 1.00 1.55 H new ATOM 0 HB2 CYS A 15 -8.076 25.379 7.894 1.00 2.48 H new ATOM 0 HB3 CYS A 15 -9.746 25.847 8.143 1.00 2.48 H new ATOM 0 HG CYS A 15 -8.360 26.195 10.608 1.00 3.12 H new ATOM 240 N ALA A 16 -11.675 24.025 8.854 1.00 2.53 N ATOM 241 CA ALA A 16 -12.660 23.892 9.915 1.00 3.97 C ATOM 242 C ALA A 16 -13.460 22.594 9.829 1.00 3.36 C ATOM 243 O ALA A 16 -13.742 21.979 10.856 1.00 3.28 O ATOM 244 CB ALA A 16 -13.587 25.109 9.907 1.00 5.51 C ATOM 0 H ALA A 16 -11.858 24.795 8.210 1.00 2.53 H new ATOM 0 HA ALA A 16 -12.120 23.848 10.861 1.00 3.97 H new ATOM 0 HB1 ALA A 16 -14.325 25.009 10.703 1.00 5.51 H new ATOM 0 HB2 ALA A 16 -13.001 26.014 10.067 1.00 5.51 H new ATOM 0 HB3 ALA A 16 -14.096 25.172 8.945 1.00 5.51 H new ATOM 250 N SER A 17 -13.911 22.212 8.627 1.00 2.95 N ATOM 251 CA SER A 17 -14.857 21.105 8.499 1.00 2.07 C ATOM 252 C SER A 17 -14.806 20.373 7.157 1.00 1.52 C ATOM 253 O SER A 17 -15.588 19.445 6.953 1.00 1.47 O ATOM 254 CB SER A 17 -16.281 21.611 8.769 1.00 2.25 C ATOM 255 OG SER A 17 -16.340 22.333 9.984 1.00 2.35 O ATOM 0 H SER A 17 -13.640 22.647 7.745 1.00 2.95 H new ATOM 0 HA SER A 17 -14.557 20.367 9.243 1.00 2.07 H new ATOM 0 HB2 SER A 17 -16.606 22.248 7.947 1.00 2.25 H new ATOM 0 HB3 SER A 17 -16.969 20.767 8.810 1.00 2.25 H new ATOM 0 HG SER A 17 -17.256 22.647 10.134 1.00 2.35 H new ATOM 261 N CYS A 18 -13.934 20.758 6.218 1.00 1.22 N ATOM 262 CA CYS A 18 -13.989 20.131 4.898 1.00 1.03 C ATOM 263 C CYS A 18 -13.492 18.691 4.977 1.00 0.98 C ATOM 264 O CYS A 18 -14.120 17.791 4.423 1.00 0.98 O ATOM 265 CB CYS A 18 -13.244 20.943 3.837 1.00 1.12 C ATOM 266 SG CYS A 18 -14.334 21.258 2.427 1.00 1.70 S ATOM 0 H CYS A 18 -13.213 21.469 6.339 1.00 1.22 H new ATOM 0 HA CYS A 18 -15.031 20.112 4.578 1.00 1.03 H new ATOM 0 HB2 CYS A 18 -12.902 21.887 4.262 1.00 1.12 H new ATOM 0 HB3 CYS A 18 -12.357 20.402 3.508 1.00 1.12 H new ATOM 0 HG CYS A 18 -13.695 21.950 1.531 1.00 1.70 H new ATOM 272 N VAL A 19 -12.400 18.459 5.723 1.00 1.10 N ATOM 273 CA VAL A 19 -11.949 17.117 6.060 1.00 1.30 C ATOM 274 C VAL A 19 -13.111 16.355 6.698 1.00 1.24 C ATOM 275 O VAL A 19 -13.406 15.222 6.331 1.00 1.28 O ATOM 276 CB VAL A 19 -10.742 17.219 7.008 1.00 1.66 C ATOM 277 CG1 VAL A 19 -10.358 15.852 7.586 1.00 1.94 C ATOM 278 CG2 VAL A 19 -9.539 17.798 6.251 1.00 2.00 C ATOM 0 H VAL A 19 -11.812 19.200 6.104 1.00 1.10 H new ATOM 0 HA VAL A 19 -11.633 16.573 5.170 1.00 1.30 H new ATOM 0 HB VAL A 19 -11.023 17.873 7.833 1.00 1.66 H new ATOM 0 HG11 VAL A 19 -9.502 15.966 8.251 1.00 1.94 H new ATOM 0 HG12 VAL A 19 -11.200 15.444 8.145 1.00 1.94 H new ATOM 0 HG13 VAL A 19 -10.099 15.173 6.773 1.00 1.94 H new ATOM 0 HG21 VAL A 19 -8.685 17.869 6.925 1.00 2.00 H new ATOM 0 HG22 VAL A 19 -9.288 17.146 5.414 1.00 2.00 H new ATOM 0 HG23 VAL A 19 -9.789 18.790 5.876 1.00 2.00 H new ATOM 288 N SER A 20 -13.792 17.006 7.638 1.00 1.27 N ATOM 289 CA SER A 20 -14.881 16.376 8.378 1.00 1.42 C ATOM 290 C SER A 20 -16.016 15.933 7.443 1.00 1.17 C ATOM 291 O SER A 20 -16.575 14.846 7.584 1.00 1.19 O ATOM 292 CB SER A 20 -15.369 17.334 9.466 1.00 1.76 C ATOM 293 OG SER A 20 -14.250 17.984 10.040 1.00 2.75 O ATOM 0 H SER A 20 -13.608 17.973 7.905 1.00 1.27 H new ATOM 0 HA SER A 20 -14.513 15.468 8.855 1.00 1.42 H new ATOM 0 HB2 SER A 20 -16.055 18.068 9.042 1.00 1.76 H new ATOM 0 HB3 SER A 20 -15.920 16.787 10.231 1.00 1.76 H new ATOM 0 HG SER A 20 -14.553 18.602 10.738 1.00 2.75 H new ATOM 299 N ASN A 21 -16.357 16.774 6.463 1.00 1.05 N ATOM 300 CA ASN A 21 -17.297 16.410 5.412 1.00 1.02 C ATOM 301 C ASN A 21 -16.750 15.222 4.615 1.00 0.89 C ATOM 302 O ASN A 21 -17.438 14.214 4.441 1.00 0.90 O ATOM 303 CB ASN A 21 -17.573 17.630 4.523 1.00 1.19 C ATOM 304 CG ASN A 21 -18.159 17.221 3.177 1.00 1.29 C ATOM 305 OD1 ASN A 21 -19.337 16.895 3.070 1.00 2.36 O ATOM 306 ND2 ASN A 21 -17.330 17.205 2.138 1.00 1.33 N ATOM 0 H ASN A 21 -15.988 17.721 6.380 1.00 1.05 H new ATOM 0 HA ASN A 21 -18.246 16.099 5.848 1.00 1.02 H new ATOM 0 HB2 ASN A 21 -18.263 18.303 5.032 1.00 1.19 H new ATOM 0 HB3 ASN A 21 -16.647 18.183 4.365 1.00 1.19 H new ATOM 0 HD21 ASN A 21 -17.668 16.916 1.220 1.00 1.33 H new ATOM 0 HD22 ASN A 21 -16.356 17.482 2.259 1.00 1.33 H new ATOM 313 N ILE A 22 -15.512 15.338 4.132 1.00 0.88 N ATOM 314 CA ILE A 22 -14.825 14.300 3.372 1.00 1.00 C ATOM 315 C ILE A 22 -14.954 12.937 4.069 1.00 0.95 C ATOM 316 O ILE A 22 -15.384 11.972 3.440 1.00 0.94 O ATOM 317 CB ILE A 22 -13.375 14.753 3.099 1.00 1.29 C ATOM 318 CG1 ILE A 22 -13.361 15.678 1.869 1.00 1.65 C ATOM 319 CG2 ILE A 22 -12.394 13.590 2.898 1.00 1.62 C ATOM 320 CD1 ILE A 22 -12.142 16.597 1.836 1.00 1.84 C ATOM 0 H ILE A 22 -14.948 16.178 4.263 1.00 0.88 H new ATOM 0 HA ILE A 22 -15.294 14.156 2.399 1.00 1.00 H new ATOM 0 HB ILE A 22 -13.032 15.284 3.987 1.00 1.29 H new ATOM 0 HG12 ILE A 22 -13.378 15.072 0.963 1.00 1.65 H new ATOM 0 HG13 ILE A 22 -14.267 16.283 1.865 1.00 1.65 H new ATOM 0 HG21 ILE A 22 -11.395 13.985 2.711 1.00 1.62 H new ATOM 0 HG22 ILE A 22 -12.377 12.969 3.794 1.00 1.62 H new ATOM 0 HG23 ILE A 22 -12.712 12.989 2.046 1.00 1.62 H new ATOM 0 HD11 ILE A 22 -12.185 17.226 0.947 1.00 1.84 H new ATOM 0 HD12 ILE A 22 -12.136 17.226 2.726 1.00 1.84 H new ATOM 0 HD13 ILE A 22 -11.233 15.995 1.811 1.00 1.84 H new ATOM 332 N GLU A 23 -14.648 12.857 5.366 1.00 1.05 N ATOM 333 CA GLU A 23 -14.804 11.635 6.148 1.00 1.21 C ATOM 334 C GLU A 23 -16.196 11.010 5.970 1.00 1.04 C ATOM 335 O GLU A 23 -16.326 9.807 5.720 1.00 0.99 O ATOM 336 CB GLU A 23 -14.532 11.942 7.626 1.00 1.58 C ATOM 337 CG GLU A 23 -13.041 12.185 7.890 1.00 2.59 C ATOM 338 CD GLU A 23 -12.764 12.406 9.370 1.00 3.83 C ATOM 339 OE1 GLU A 23 -13.431 13.297 9.941 1.00 4.71 O ATOM 340 OE2 GLU A 23 -11.898 11.675 9.898 1.00 4.75 O ATOM 0 H GLU A 23 -14.283 13.644 5.903 1.00 1.05 H new ATOM 0 HA GLU A 23 -14.082 10.903 5.786 1.00 1.21 H new ATOM 0 HB2 GLU A 23 -15.103 12.821 7.926 1.00 1.58 H new ATOM 0 HB3 GLU A 23 -14.880 11.111 8.240 1.00 1.58 H new ATOM 0 HG2 GLU A 23 -12.464 11.331 7.535 1.00 2.59 H new ATOM 0 HG3 GLU A 23 -12.707 13.054 7.323 1.00 2.59 H new ATOM 347 N ARG A 24 -17.248 11.820 6.107 1.00 1.05 N ATOM 348 CA ARG A 24 -18.618 11.340 5.978 1.00 1.13 C ATOM 349 C ARG A 24 -18.879 10.868 4.551 1.00 1.10 C ATOM 350 O ARG A 24 -19.550 9.858 4.345 1.00 1.39 O ATOM 351 CB ARG A 24 -19.613 12.434 6.382 1.00 1.30 C ATOM 352 CG ARG A 24 -19.615 12.631 7.901 1.00 1.98 C ATOM 353 CD ARG A 24 -20.527 13.800 8.300 1.00 3.29 C ATOM 354 NE ARG A 24 -21.253 13.519 9.551 1.00 5.03 N ATOM 355 CZ ARG A 24 -22.436 12.884 9.638 1.00 6.73 C ATOM 356 NH1 ARG A 24 -23.031 12.423 8.532 1.00 6.89 N ATOM 357 NH2 ARG A 24 -23.019 12.710 10.830 1.00 8.69 N ATOM 0 H ARG A 24 -17.172 12.817 6.309 1.00 1.05 H new ATOM 0 HA ARG A 24 -18.756 10.494 6.651 1.00 1.13 H new ATOM 0 HB2 ARG A 24 -19.351 13.370 5.889 1.00 1.30 H new ATOM 0 HB3 ARG A 24 -20.614 12.165 6.044 1.00 1.30 H new ATOM 0 HG2 ARG A 24 -19.953 11.717 8.390 1.00 1.98 H new ATOM 0 HG3 ARG A 24 -18.600 12.821 8.249 1.00 1.98 H new ATOM 0 HD2 ARG A 24 -19.929 14.704 8.421 1.00 3.29 H new ATOM 0 HD3 ARG A 24 -21.241 13.994 7.500 1.00 3.29 H new ATOM 0 HE ARG A 24 -20.824 13.831 10.422 1.00 5.03 H new ATOM 0 HH11 ARG A 24 -22.588 12.553 7.623 1.00 6.89 H new ATOM 0 HH12 ARG A 24 -23.928 11.942 8.598 1.00 6.89 H new ATOM 0 HH21 ARG A 24 -22.566 13.059 11.675 1.00 8.69 H new ATOM 0 HH22 ARG A 24 -23.916 12.228 10.894 1.00 8.69 H new ATOM 371 N ASN A 25 -18.354 11.604 3.569 1.00 0.95 N ATOM 372 CA ASN A 25 -18.490 11.236 2.166 1.00 0.99 C ATOM 373 C ASN A 25 -17.873 9.859 1.934 1.00 0.91 C ATOM 374 O ASN A 25 -18.544 8.961 1.434 1.00 0.95 O ATOM 375 CB ASN A 25 -17.869 12.294 1.246 1.00 1.09 C ATOM 376 CG ASN A 25 -18.779 13.503 1.051 1.00 1.25 C ATOM 377 OD1 ASN A 25 -19.347 13.696 -0.017 1.00 1.70 O ATOM 378 ND2 ASN A 25 -18.920 14.327 2.082 1.00 1.05 N ATOM 0 H ASN A 25 -17.828 12.464 3.726 1.00 0.95 H new ATOM 0 HA ASN A 25 -19.550 11.188 1.918 1.00 0.99 H new ATOM 0 HB2 ASN A 25 -16.918 12.623 1.665 1.00 1.09 H new ATOM 0 HB3 ASN A 25 -17.652 11.846 0.276 1.00 1.09 H new ATOM 0 HD21 ASN A 25 -19.516 15.151 1.999 1.00 1.05 H new ATOM 0 HD22 ASN A 25 -18.432 14.137 2.957 1.00 1.05 H new ATOM 385 N LEU A 26 -16.613 9.663 2.331 1.00 0.85 N ATOM 386 CA LEU A 26 -15.939 8.380 2.162 1.00 0.85 C ATOM 387 C LEU A 26 -16.683 7.255 2.867 1.00 0.87 C ATOM 388 O LEU A 26 -16.862 6.196 2.278 1.00 0.90 O ATOM 389 CB LEU A 26 -14.493 8.459 2.638 1.00 0.89 C ATOM 390 CG LEU A 26 -13.656 9.194 1.582 1.00 0.98 C ATOM 391 CD1 LEU A 26 -12.679 10.108 2.303 1.00 1.87 C ATOM 392 CD2 LEU A 26 -12.910 8.194 0.694 1.00 2.44 C ATOM 0 H LEU A 26 -16.040 10.382 2.773 1.00 0.85 H new ATOM 0 HA LEU A 26 -15.936 8.151 1.096 1.00 0.85 H new ATOM 0 HB2 LEU A 26 -14.439 8.983 3.592 1.00 0.89 H new ATOM 0 HB3 LEU A 26 -14.096 7.457 2.802 1.00 0.89 H new ATOM 0 HG LEU A 26 -14.306 9.783 0.935 1.00 0.98 H new ATOM 0 HD11 LEU A 26 -12.072 10.642 1.571 1.00 1.87 H new ATOM 0 HD12 LEU A 26 -13.232 10.826 2.909 1.00 1.87 H new ATOM 0 HD13 LEU A 26 -12.031 9.513 2.947 1.00 1.87 H new ATOM 0 HD21 LEU A 26 -12.322 8.734 -0.048 1.00 2.44 H new ATOM 0 HD22 LEU A 26 -12.247 7.585 1.309 1.00 2.44 H new ATOM 0 HD23 LEU A 26 -13.629 7.549 0.188 1.00 2.44 H new ATOM 404 N GLN A 27 -17.186 7.483 4.083 1.00 0.92 N ATOM 405 CA GLN A 27 -18.026 6.490 4.754 1.00 1.04 C ATOM 406 C GLN A 27 -19.230 6.055 3.909 1.00 1.08 C ATOM 407 O GLN A 27 -19.827 5.019 4.195 1.00 1.18 O ATOM 408 CB GLN A 27 -18.470 6.993 6.130 1.00 1.20 C ATOM 409 CG GLN A 27 -17.553 6.393 7.204 1.00 1.11 C ATOM 410 CD GLN A 27 -17.421 7.316 8.395 1.00 1.43 C ATOM 411 OE1 GLN A 27 -17.807 6.991 9.512 1.00 2.07 O ATOM 412 NE2 GLN A 27 -16.843 8.480 8.148 1.00 1.47 N ATOM 0 H GLN A 27 -17.028 8.337 4.618 1.00 0.92 H new ATOM 0 HA GLN A 27 -17.410 5.601 4.890 1.00 1.04 H new ATOM 0 HB2 GLN A 27 -18.427 8.082 6.164 1.00 1.20 H new ATOM 0 HB3 GLN A 27 -19.505 6.709 6.318 1.00 1.20 H new ATOM 0 HG2 GLN A 27 -17.951 5.432 7.529 1.00 1.11 H new ATOM 0 HG3 GLN A 27 -16.568 6.202 6.778 1.00 1.11 H new ATOM 0 HE21 GLN A 27 -16.538 8.707 7.202 1.00 1.47 H new ATOM 0 HE22 GLN A 27 -16.703 9.150 8.904 1.00 1.47 H new ATOM 421 N LYS A 28 -19.617 6.850 2.907 1.00 1.05 N ATOM 422 CA LYS A 28 -20.684 6.523 1.975 1.00 1.13 C ATOM 423 C LYS A 28 -20.176 6.237 0.556 1.00 1.29 C ATOM 424 O LYS A 28 -21.009 5.999 -0.315 1.00 1.60 O ATOM 425 CB LYS A 28 -21.709 7.663 1.978 1.00 1.17 C ATOM 426 CG LYS A 28 -22.312 7.865 3.377 1.00 0.98 C ATOM 427 CD LYS A 28 -23.840 7.757 3.308 1.00 1.14 C ATOM 428 CE LYS A 28 -24.451 7.952 4.704 1.00 2.48 C ATOM 429 NZ LYS A 28 -25.915 7.719 4.720 1.00 3.25 N ATOM 0 H LYS A 28 -19.185 7.755 2.723 1.00 1.05 H new ATOM 0 HA LYS A 28 -21.153 5.597 2.309 1.00 1.13 H new ATOM 0 HB2 LYS A 28 -21.231 8.586 1.648 1.00 1.17 H new ATOM 0 HB3 LYS A 28 -22.504 7.443 1.265 1.00 1.17 H new ATOM 0 HG2 LYS A 28 -21.917 7.117 4.064 1.00 0.98 H new ATOM 0 HG3 LYS A 28 -22.025 8.841 3.769 1.00 0.98 H new ATOM 0 HD2 LYS A 28 -24.234 8.508 2.623 1.00 1.14 H new ATOM 0 HD3 LYS A 28 -24.125 6.783 2.911 1.00 1.14 H new ATOM 0 HE2 LYS A 28 -23.970 7.271 5.406 1.00 2.48 H new ATOM 0 HE3 LYS A 28 -24.244 8.965 5.050 1.00 2.48 H new ATOM 0 HZ1 LYS A 28 -26.279 7.863 5.684 1.00 3.25 H new ATOM 0 HZ2 LYS A 28 -26.380 8.386 4.071 1.00 3.25 H new ATOM 0 HZ3 LYS A 28 -26.115 6.745 4.416 1.00 3.25 H new ATOM 443 N GLU A 29 -18.861 6.242 0.293 1.00 1.13 N ATOM 444 CA GLU A 29 -18.355 5.932 -1.040 1.00 1.18 C ATOM 445 C GLU A 29 -18.762 4.516 -1.466 1.00 1.23 C ATOM 446 O GLU A 29 -19.541 4.349 -2.403 1.00 1.36 O ATOM 447 CB GLU A 29 -16.835 6.136 -1.081 1.00 1.16 C ATOM 448 CG GLU A 29 -16.233 5.773 -2.445 1.00 1.13 C ATOM 449 CD GLU A 29 -14.733 6.010 -2.471 1.00 1.70 C ATOM 450 OE1 GLU A 29 -14.086 5.600 -1.484 1.00 2.38 O ATOM 451 OE2 GLU A 29 -14.261 6.581 -3.476 1.00 2.98 O ATOM 0 H GLU A 29 -18.140 6.456 0.982 1.00 1.13 H new ATOM 0 HA GLU A 29 -18.803 6.616 -1.761 1.00 1.18 H new ATOM 0 HB2 GLU A 29 -16.604 7.176 -0.850 1.00 1.16 H new ATOM 0 HB3 GLU A 29 -16.368 5.527 -0.307 1.00 1.16 H new ATOM 0 HG2 GLU A 29 -16.441 4.727 -2.669 1.00 1.13 H new ATOM 0 HG3 GLU A 29 -16.710 6.367 -3.224 1.00 1.13 H new ATOM 458 N ALA A 30 -18.209 3.493 -0.804 1.00 1.20 N ATOM 459 CA ALA A 30 -18.401 2.096 -1.182 1.00 1.30 C ATOM 460 C ALA A 30 -17.870 1.176 -0.076 1.00 1.30 C ATOM 461 O ALA A 30 -18.377 1.208 1.040 1.00 1.37 O ATOM 462 CB ALA A 30 -17.752 1.826 -2.550 1.00 1.34 C ATOM 0 H ALA A 30 -17.612 3.617 0.014 1.00 1.20 H new ATOM 0 HA ALA A 30 -19.464 1.882 -1.289 1.00 1.30 H new ATOM 0 HB1 ALA A 30 -17.900 0.781 -2.823 1.00 1.34 H new ATOM 0 HB2 ALA A 30 -18.211 2.467 -3.303 1.00 1.34 H new ATOM 0 HB3 ALA A 30 -16.684 2.038 -2.494 1.00 1.34 H new ATOM 468 N GLY A 31 -16.849 0.360 -0.363 1.00 1.30 N ATOM 469 CA GLY A 31 -16.343 -0.644 0.567 1.00 1.42 C ATOM 470 C GLY A 31 -15.543 -0.047 1.728 1.00 1.32 C ATOM 471 O GLY A 31 -15.183 -0.771 2.650 1.00 1.60 O ATOM 0 H GLY A 31 -16.351 0.382 -1.253 1.00 1.30 H new ATOM 0 HA2 GLY A 31 -17.182 -1.213 0.968 1.00 1.42 H new ATOM 0 HA3 GLY A 31 -15.712 -1.347 0.024 1.00 1.42 H new ATOM 475 N VAL A 32 -15.239 1.254 1.694 1.00 1.10 N ATOM 476 CA VAL A 32 -14.548 1.930 2.782 1.00 1.02 C ATOM 477 C VAL A 32 -15.528 2.256 3.909 1.00 0.98 C ATOM 478 O VAL A 32 -16.519 2.949 3.692 1.00 1.03 O ATOM 479 CB VAL A 32 -13.757 3.150 2.261 1.00 1.01 C ATOM 480 CG1 VAL A 32 -14.581 4.039 1.325 1.00 1.39 C ATOM 481 CG2 VAL A 32 -13.197 4.007 3.406 1.00 1.32 C ATOM 0 H VAL A 32 -15.468 1.863 0.909 1.00 1.10 H new ATOM 0 HA VAL A 32 -13.801 1.263 3.212 1.00 1.02 H new ATOM 0 HB VAL A 32 -12.929 2.729 1.691 1.00 1.01 H new ATOM 0 HG11 VAL A 32 -13.972 4.879 0.992 1.00 1.39 H new ATOM 0 HG12 VAL A 32 -14.902 3.458 0.460 1.00 1.39 H new ATOM 0 HG13 VAL A 32 -15.456 4.413 1.856 1.00 1.39 H new ATOM 0 HG21 VAL A 32 -12.648 4.853 2.992 1.00 1.32 H new ATOM 0 HG22 VAL A 32 -14.018 4.373 4.022 1.00 1.32 H new ATOM 0 HG23 VAL A 32 -12.526 3.404 4.018 1.00 1.32 H new ATOM 491 N LEU A 33 -15.254 1.760 5.122 1.00 1.07 N ATOM 492 CA LEU A 33 -16.031 2.141 6.300 1.00 1.11 C ATOM 493 C LEU A 33 -15.151 2.248 7.544 1.00 1.24 C ATOM 494 O LEU A 33 -15.478 1.726 8.607 1.00 1.53 O ATOM 495 CB LEU A 33 -17.235 1.201 6.508 1.00 1.25 C ATOM 496 CG LEU A 33 -16.905 -0.285 6.765 1.00 2.11 C ATOM 497 CD1 LEU A 33 -18.071 -0.944 7.512 1.00 2.83 C ATOM 498 CD2 LEU A 33 -16.644 -1.054 5.465 1.00 3.15 C ATOM 0 H LEU A 33 -14.502 1.097 5.310 1.00 1.07 H new ATOM 0 HA LEU A 33 -16.437 3.137 6.122 1.00 1.11 H new ATOM 0 HB2 LEU A 33 -17.818 1.573 7.351 1.00 1.25 H new ATOM 0 HB3 LEU A 33 -17.873 1.262 5.627 1.00 1.25 H new ATOM 0 HG LEU A 33 -15.994 -0.320 7.363 1.00 2.11 H new ATOM 0 HD11 LEU A 33 -17.840 -1.993 7.694 1.00 2.83 H new ATOM 0 HD12 LEU A 33 -18.227 -0.436 8.464 1.00 2.83 H new ATOM 0 HD13 LEU A 33 -18.976 -0.871 6.910 1.00 2.83 H new ATOM 0 HD21 LEU A 33 -16.416 -2.094 5.697 1.00 3.15 H new ATOM 0 HD22 LEU A 33 -17.530 -1.009 4.832 1.00 3.15 H new ATOM 0 HD23 LEU A 33 -15.800 -0.606 4.941 1.00 3.15 H new ATOM 510 N SER A 34 -14.062 3.007 7.448 1.00 1.13 N ATOM 511 CA SER A 34 -13.355 3.514 8.609 1.00 1.10 C ATOM 512 C SER A 34 -12.513 4.682 8.128 1.00 1.02 C ATOM 513 O SER A 34 -11.836 4.547 7.106 1.00 1.03 O ATOM 514 CB SER A 34 -12.478 2.418 9.224 1.00 1.29 C ATOM 515 OG SER A 34 -12.107 2.703 10.560 1.00 2.06 O ATOM 0 H SER A 34 -13.648 3.285 6.558 1.00 1.13 H new ATOM 0 HA SER A 34 -14.049 3.834 9.386 1.00 1.10 H new ATOM 0 HB2 SER A 34 -13.014 1.469 9.194 1.00 1.29 H new ATOM 0 HB3 SER A 34 -11.579 2.295 8.620 1.00 1.29 H new ATOM 0 HG SER A 34 -11.993 1.864 11.054 1.00 2.06 H new ATOM 521 N VAL A 35 -12.568 5.798 8.851 1.00 1.01 N ATOM 522 CA VAL A 35 -11.823 7.001 8.585 1.00 1.00 C ATOM 523 C VAL A 35 -10.938 7.217 9.803 1.00 1.03 C ATOM 524 O VAL A 35 -11.404 7.075 10.933 1.00 1.17 O ATOM 525 CB VAL A 35 -12.794 8.171 8.366 1.00 1.07 C ATOM 526 CG1 VAL A 35 -13.517 8.017 7.020 1.00 2.09 C ATOM 527 CG2 VAL A 35 -13.804 8.356 9.510 1.00 2.51 C ATOM 0 H VAL A 35 -13.165 5.880 9.674 1.00 1.01 H new ATOM 0 HA VAL A 35 -11.216 6.928 7.683 1.00 1.00 H new ATOM 0 HB VAL A 35 -12.188 9.077 8.353 1.00 1.07 H new ATOM 0 HG11 VAL A 35 -14.202 8.853 6.877 1.00 2.09 H new ATOM 0 HG12 VAL A 35 -12.785 8.006 6.213 1.00 2.09 H new ATOM 0 HG13 VAL A 35 -14.078 7.083 7.013 1.00 2.09 H new ATOM 0 HG21 VAL A 35 -14.457 9.200 9.286 1.00 2.51 H new ATOM 0 HG22 VAL A 35 -14.403 7.452 9.616 1.00 2.51 H new ATOM 0 HG23 VAL A 35 -13.269 8.548 10.440 1.00 2.51 H new ATOM 537 N LEU A 36 -9.659 7.493 9.581 1.00 1.00 N ATOM 538 CA LEU A 36 -8.723 7.799 10.648 1.00 1.08 C ATOM 539 C LEU A 36 -7.825 8.932 10.146 1.00 1.05 C ATOM 540 O LEU A 36 -6.665 8.723 9.787 1.00 1.09 O ATOM 541 CB LEU A 36 -7.995 6.505 11.051 1.00 1.18 C ATOM 542 CG LEU A 36 -7.379 6.521 12.458 1.00 1.53 C ATOM 543 CD1 LEU A 36 -6.758 5.146 12.736 1.00 1.57 C ATOM 544 CD2 LEU A 36 -6.297 7.593 12.640 1.00 2.62 C ATOM 0 H LEU A 36 -9.243 7.510 8.650 1.00 1.00 H new ATOM 0 HA LEU A 36 -9.197 8.155 11.563 1.00 1.08 H new ATOM 0 HB2 LEU A 36 -8.698 5.675 10.988 1.00 1.18 H new ATOM 0 HB3 LEU A 36 -7.205 6.309 10.326 1.00 1.18 H new ATOM 0 HG LEU A 36 -8.182 6.756 13.156 1.00 1.53 H new ATOM 0 HD11 LEU A 36 -6.316 5.141 13.732 1.00 1.57 H new ATOM 0 HD12 LEU A 36 -7.531 4.379 12.678 1.00 1.57 H new ATOM 0 HD13 LEU A 36 -5.986 4.939 11.995 1.00 1.57 H new ATOM 0 HD21 LEU A 36 -5.906 7.547 13.656 1.00 2.62 H new ATOM 0 HD22 LEU A 36 -5.487 7.417 11.932 1.00 2.62 H new ATOM 0 HD23 LEU A 36 -6.727 8.578 12.461 1.00 2.62 H new ATOM 556 N VAL A 37 -8.377 10.150 10.109 1.00 1.01 N ATOM 557 CA VAL A 37 -7.631 11.330 9.707 1.00 1.03 C ATOM 558 C VAL A 37 -7.146 12.043 10.961 1.00 1.18 C ATOM 559 O VAL A 37 -7.939 12.359 11.845 1.00 1.46 O ATOM 560 CB VAL A 37 -8.471 12.278 8.835 1.00 0.98 C ATOM 561 CG1 VAL A 37 -7.622 13.434 8.287 1.00 2.09 C ATOM 562 CG2 VAL A 37 -9.069 11.543 7.634 1.00 1.85 C ATOM 0 H VAL A 37 -9.349 10.337 10.357 1.00 1.01 H new ATOM 0 HA VAL A 37 -6.783 11.018 9.097 1.00 1.03 H new ATOM 0 HB VAL A 37 -9.263 12.663 9.478 1.00 0.98 H new ATOM 0 HG11 VAL A 37 -8.246 14.085 7.675 1.00 2.09 H new ATOM 0 HG12 VAL A 37 -7.206 14.005 9.117 1.00 2.09 H new ATOM 0 HG13 VAL A 37 -6.811 13.033 7.679 1.00 2.09 H new ATOM 0 HG21 VAL A 37 -9.657 12.240 7.037 1.00 1.85 H new ATOM 0 HG22 VAL A 37 -8.266 11.130 7.023 1.00 1.85 H new ATOM 0 HG23 VAL A 37 -9.710 10.735 7.985 1.00 1.85 H new ATOM 572 N ALA A 38 -5.846 12.329 11.023 1.00 1.09 N ATOM 573 CA ALA A 38 -5.311 13.250 12.009 1.00 1.20 C ATOM 574 C ALA A 38 -5.099 14.571 11.288 1.00 1.17 C ATOM 575 O ALA A 38 -4.052 14.773 10.681 1.00 1.26 O ATOM 576 CB ALA A 38 -4.017 12.708 12.624 1.00 1.35 C ATOM 0 H ALA A 38 -5.146 11.931 10.397 1.00 1.09 H new ATOM 0 HA ALA A 38 -5.996 13.383 12.846 1.00 1.20 H new ATOM 0 HB1 ALA A 38 -3.638 13.418 13.359 1.00 1.35 H new ATOM 0 HB2 ALA A 38 -4.217 11.754 13.111 1.00 1.35 H new ATOM 0 HB3 ALA A 38 -3.273 12.566 11.840 1.00 1.35 H new ATOM 582 N LEU A 39 -6.089 15.467 11.344 1.00 1.10 N ATOM 583 CA LEU A 39 -5.998 16.801 10.753 1.00 1.09 C ATOM 584 C LEU A 39 -4.811 17.576 11.352 1.00 1.22 C ATOM 585 O LEU A 39 -4.220 18.424 10.693 1.00 1.32 O ATOM 586 CB LEU A 39 -7.340 17.537 10.948 1.00 1.03 C ATOM 587 CG LEU A 39 -7.808 18.336 9.726 1.00 2.17 C ATOM 588 CD1 LEU A 39 -9.201 18.913 10.008 1.00 3.39 C ATOM 589 CD2 LEU A 39 -6.863 19.472 9.325 1.00 2.55 C ATOM 0 H LEU A 39 -6.981 15.284 11.804 1.00 1.10 H new ATOM 0 HA LEU A 39 -5.811 16.722 9.682 1.00 1.09 H new ATOM 0 HB2 LEU A 39 -8.107 16.806 11.205 1.00 1.03 H new ATOM 0 HB3 LEU A 39 -7.249 18.215 11.797 1.00 1.03 H new ATOM 0 HG LEU A 39 -7.825 17.640 8.887 1.00 2.17 H new ATOM 0 HD11 LEU A 39 -9.541 19.483 9.143 1.00 3.39 H new ATOM 0 HD12 LEU A 39 -9.899 18.099 10.203 1.00 3.39 H new ATOM 0 HD13 LEU A 39 -9.154 19.568 10.878 1.00 3.39 H new ATOM 0 HD21 LEU A 39 -7.264 19.988 8.453 1.00 2.55 H new ATOM 0 HD22 LEU A 39 -6.769 20.176 10.152 1.00 2.55 H new ATOM 0 HD23 LEU A 39 -5.882 19.062 9.084 1.00 2.55 H new ATOM 601 N MET A 40 -4.445 17.256 12.600 1.00 1.25 N ATOM 602 CA MET A 40 -3.304 17.838 13.301 1.00 1.39 C ATOM 603 C MET A 40 -2.011 17.569 12.531 1.00 1.36 C ATOM 604 O MET A 40 -1.323 18.487 12.092 1.00 1.46 O ATOM 605 CB MET A 40 -3.185 17.208 14.698 1.00 1.51 C ATOM 606 CG MET A 40 -4.121 17.818 15.743 1.00 1.83 C ATOM 607 SD MET A 40 -4.002 16.976 17.344 1.00 2.83 S ATOM 608 CE MET A 40 -4.948 18.103 18.389 1.00 3.36 C ATOM 0 H MET A 40 -4.949 16.568 13.160 1.00 1.25 H new ATOM 0 HA MET A 40 -3.459 18.914 13.383 1.00 1.39 H new ATOM 0 HB2 MET A 40 -3.391 16.140 14.621 1.00 1.51 H new ATOM 0 HB3 MET A 40 -2.156 17.310 15.044 1.00 1.51 H new ATOM 0 HG2 MET A 40 -3.881 18.874 15.871 1.00 1.83 H new ATOM 0 HG3 MET A 40 -5.148 17.766 15.383 1.00 1.83 H new ATOM 0 HE1 MET A 40 -4.968 17.722 19.410 1.00 3.36 H new ATOM 0 HE2 MET A 40 -4.481 19.088 18.378 1.00 3.36 H new ATOM 0 HE3 MET A 40 -5.967 18.180 18.011 1.00 3.36 H new ATOM 618 N ALA A 41 -1.663 16.285 12.428 1.00 1.27 N ATOM 619 CA ALA A 41 -0.413 15.841 11.824 1.00 1.22 C ATOM 620 C ALA A 41 -0.498 15.914 10.299 1.00 1.18 C ATOM 621 O ALA A 41 0.516 16.049 9.621 1.00 1.43 O ATOM 622 CB ALA A 41 -0.100 14.420 12.295 1.00 1.22 C ATOM 0 H ALA A 41 -2.248 15.521 12.765 1.00 1.27 H new ATOM 0 HA ALA A 41 0.396 16.500 12.138 1.00 1.22 H new ATOM 0 HB1 ALA A 41 0.834 14.085 11.845 1.00 1.22 H new ATOM 0 HB2 ALA A 41 -0.004 14.409 13.381 1.00 1.22 H new ATOM 0 HB3 ALA A 41 -0.907 13.751 11.996 1.00 1.22 H new ATOM 628 N GLY A 42 -1.717 15.802 9.772 1.00 1.12 N ATOM 629 CA GLY A 42 -2.018 15.860 8.361 1.00 1.12 C ATOM 630 C GLY A 42 -1.830 14.493 7.718 1.00 1.02 C ATOM 631 O GLY A 42 -1.016 14.354 6.808 1.00 1.15 O ATOM 0 H GLY A 42 -2.547 15.663 10.348 1.00 1.12 H new ATOM 0 HA2 GLY A 42 -3.044 16.198 8.216 1.00 1.12 H new ATOM 0 HA3 GLY A 42 -1.370 16.589 7.875 1.00 1.12 H new ATOM 635 N LYS A 43 -2.589 13.480 8.157 1.00 0.94 N ATOM 636 CA LYS A 43 -2.555 12.172 7.547 1.00 0.90 C ATOM 637 C LYS A 43 -3.989 11.672 7.462 1.00 0.89 C ATOM 638 O LYS A 43 -4.763 11.949 8.378 1.00 0.92 O ATOM 639 CB LYS A 43 -1.697 11.218 8.381 1.00 0.96 C ATOM 640 CG LYS A 43 -2.051 11.162 9.877 1.00 1.46 C ATOM 641 CD LYS A 43 -1.837 9.770 10.494 1.00 2.46 C ATOM 642 CE LYS A 43 -0.494 9.614 11.217 1.00 4.13 C ATOM 643 NZ LYS A 43 -0.355 8.248 11.764 1.00 5.86 N ATOM 0 H LYS A 43 -3.236 13.557 8.942 1.00 0.94 H new ATOM 0 HA LYS A 43 -2.112 12.222 6.552 1.00 0.90 H new ATOM 0 HB2 LYS A 43 -1.787 10.215 7.964 1.00 0.96 H new ATOM 0 HB3 LYS A 43 -0.652 11.512 8.281 1.00 0.96 H new ATOM 0 HG2 LYS A 43 -1.444 11.889 10.416 1.00 1.46 H new ATOM 0 HG3 LYS A 43 -3.092 11.456 10.009 1.00 1.46 H new ATOM 0 HD2 LYS A 43 -2.644 9.567 11.198 1.00 2.46 H new ATOM 0 HD3 LYS A 43 -1.905 9.019 9.707 1.00 2.46 H new ATOM 0 HE2 LYS A 43 0.323 9.820 10.526 1.00 4.13 H new ATOM 0 HE3 LYS A 43 -0.422 10.344 12.023 1.00 4.13 H new ATOM 0 HZ1 LYS A 43 -0.276 8.295 12.800 1.00 5.86 H new ATOM 0 HZ2 LYS A 43 -1.190 7.684 11.506 1.00 5.86 H new ATOM 0 HZ3 LYS A 43 0.499 7.802 11.372 1.00 5.86 H new ATOM 657 N ALA A 44 -4.319 10.944 6.393 1.00 0.89 N ATOM 658 CA ALA A 44 -5.541 10.176 6.247 1.00 0.96 C ATOM 659 C ALA A 44 -5.199 8.687 6.183 1.00 0.89 C ATOM 660 O ALA A 44 -4.811 8.174 5.132 1.00 0.87 O ATOM 661 CB ALA A 44 -6.295 10.632 4.996 1.00 1.24 C ATOM 0 H ALA A 44 -3.712 10.876 5.576 1.00 0.89 H new ATOM 0 HA ALA A 44 -6.190 10.342 7.107 1.00 0.96 H new ATOM 0 HB1 ALA A 44 -7.212 10.052 4.892 1.00 1.24 H new ATOM 0 HB2 ALA A 44 -6.543 11.689 5.086 1.00 1.24 H new ATOM 0 HB3 ALA A 44 -5.668 10.480 4.118 1.00 1.24 H new ATOM 667 N GLU A 45 -5.404 7.986 7.298 1.00 0.95 N ATOM 668 CA GLU A 45 -5.426 6.537 7.314 1.00 0.99 C ATOM 669 C GLU A 45 -6.903 6.155 7.221 1.00 0.95 C ATOM 670 O GLU A 45 -7.731 6.779 7.875 1.00 0.98 O ATOM 671 CB GLU A 45 -4.795 6.024 8.616 1.00 1.19 C ATOM 672 CG GLU A 45 -3.291 6.313 8.693 1.00 2.42 C ATOM 673 CD GLU A 45 -2.702 5.881 10.031 1.00 3.40 C ATOM 674 OE1 GLU A 45 -3.223 4.906 10.614 1.00 3.55 O ATOM 675 OE2 GLU A 45 -1.744 6.556 10.472 1.00 4.76 O ATOM 0 H GLU A 45 -5.559 8.413 8.211 1.00 0.95 H new ATOM 0 HA GLU A 45 -4.856 6.098 6.495 1.00 0.99 H new ATOM 0 HB2 GLU A 45 -5.295 6.488 9.466 1.00 1.19 H new ATOM 0 HB3 GLU A 45 -4.960 4.950 8.697 1.00 1.19 H new ATOM 0 HG2 GLU A 45 -2.778 5.792 7.884 1.00 2.42 H new ATOM 0 HG3 GLU A 45 -3.117 7.379 8.546 1.00 2.42 H new ATOM 682 N ILE A 46 -7.278 5.193 6.382 1.00 0.95 N ATOM 683 CA ILE A 46 -8.658 4.736 6.269 1.00 0.98 C ATOM 684 C ILE A 46 -8.631 3.216 6.113 1.00 1.06 C ATOM 685 O ILE A 46 -7.548 2.667 5.896 1.00 1.12 O ATOM 686 CB ILE A 46 -9.318 5.413 5.055 1.00 0.96 C ATOM 687 CG1 ILE A 46 -8.604 4.958 3.781 1.00 1.44 C ATOM 688 CG2 ILE A 46 -9.313 6.940 5.158 1.00 1.78 C ATOM 689 CD1 ILE A 46 -9.103 5.620 2.505 1.00 1.69 C ATOM 0 H ILE A 46 -6.631 4.708 5.760 1.00 0.95 H new ATOM 0 HA ILE A 46 -9.239 4.998 7.153 1.00 0.98 H new ATOM 0 HB ILE A 46 -10.365 5.110 5.028 1.00 0.96 H new ATOM 0 HG12 ILE A 46 -7.538 5.159 3.886 1.00 1.44 H new ATOM 0 HG13 ILE A 46 -8.717 3.878 3.683 1.00 1.44 H new ATOM 0 HG21 ILE A 46 -9.791 7.366 4.276 1.00 1.78 H new ATOM 0 HG22 ILE A 46 -9.860 7.246 6.050 1.00 1.78 H new ATOM 0 HG23 ILE A 46 -8.285 7.297 5.222 1.00 1.78 H new ATOM 0 HD11 ILE A 46 -8.541 5.238 1.653 1.00 1.69 H new ATOM 0 HD12 ILE A 46 -10.162 5.398 2.370 1.00 1.69 H new ATOM 0 HD13 ILE A 46 -8.964 6.699 2.577 1.00 1.69 H new ATOM 701 N LYS A 47 -9.790 2.543 6.168 1.00 1.13 N ATOM 702 CA LYS A 47 -9.894 1.134 5.772 1.00 1.24 C ATOM 703 C LYS A 47 -10.887 0.934 4.630 1.00 1.27 C ATOM 704 O LYS A 47 -12.096 1.029 4.843 1.00 1.30 O ATOM 705 CB LYS A 47 -10.169 0.200 6.961 1.00 1.32 C ATOM 706 CG LYS A 47 -8.869 -0.032 7.747 1.00 2.89 C ATOM 707 CD LYS A 47 -9.058 -0.598 9.160 1.00 3.42 C ATOM 708 CE LYS A 47 -9.743 0.443 10.053 1.00 3.46 C ATOM 709 NZ LYS A 47 -9.575 0.180 11.496 1.00 4.46 N ATOM 0 H LYS A 47 -10.669 2.954 6.484 1.00 1.13 H new ATOM 0 HA LYS A 47 -8.914 0.848 5.390 1.00 1.24 H new ATOM 0 HB2 LYS A 47 -10.926 0.637 7.612 1.00 1.32 H new ATOM 0 HB3 LYS A 47 -10.565 -0.751 6.605 1.00 1.32 H new ATOM 0 HG2 LYS A 47 -8.236 -0.715 7.180 1.00 2.89 H new ATOM 0 HG3 LYS A 47 -8.332 0.914 7.820 1.00 2.89 H new ATOM 0 HD2 LYS A 47 -9.659 -1.507 9.120 1.00 3.42 H new ATOM 0 HD3 LYS A 47 -8.092 -0.873 9.583 1.00 3.42 H new ATOM 0 HE2 LYS A 47 -9.341 1.430 9.822 1.00 3.46 H new ATOM 0 HE3 LYS A 47 -10.807 0.469 9.818 1.00 3.46 H new ATOM 0 HZ1 LYS A 47 -10.061 0.919 12.043 1.00 4.46 H new ATOM 0 HZ2 LYS A 47 -9.983 -0.748 11.730 1.00 4.46 H new ATOM 0 HZ3 LYS A 47 -8.563 0.183 11.734 1.00 4.46 H new ATOM 723 N TYR A 48 -10.342 0.640 3.442 1.00 1.29 N ATOM 724 CA TYR A 48 -11.028 0.288 2.216 1.00 1.31 C ATOM 725 C TYR A 48 -11.082 -1.225 2.007 1.00 1.39 C ATOM 726 O TYR A 48 -10.582 -2.006 2.820 1.00 1.46 O ATOM 727 CB TYR A 48 -10.334 0.970 1.028 1.00 1.28 C ATOM 728 CG TYR A 48 -9.060 0.323 0.491 1.00 1.35 C ATOM 729 CD1 TYR A 48 -7.865 0.372 1.233 1.00 1.89 C ATOM 730 CD2 TYR A 48 -9.028 -0.193 -0.821 1.00 2.25 C ATOM 731 CE1 TYR A 48 -6.645 -0.001 0.643 1.00 1.96 C ATOM 732 CE2 TYR A 48 -7.798 -0.495 -1.434 1.00 2.38 C ATOM 733 CZ TYR A 48 -6.599 -0.354 -0.714 1.00 1.64 C ATOM 734 OH TYR A 48 -5.393 -0.489 -1.340 1.00 1.82 O ATOM 0 H TYR A 48 -9.330 0.646 3.316 1.00 1.29 H new ATOM 0 HA TYR A 48 -12.058 0.638 2.290 1.00 1.31 H new ATOM 0 HB2 TYR A 48 -11.051 1.031 0.209 1.00 1.28 H new ATOM 0 HB3 TYR A 48 -10.095 1.993 1.320 1.00 1.28 H new ATOM 0 HD1 TYR A 48 -7.886 0.698 2.262 1.00 1.89 H new ATOM 0 HD2 TYR A 48 -9.951 -0.357 -1.357 1.00 2.25 H new ATOM 0 HE1 TYR A 48 -5.742 -0.016 1.235 1.00 1.96 H new ATOM 0 HE2 TYR A 48 -7.775 -0.835 -2.459 1.00 2.38 H new ATOM 0 HH TYR A 48 -4.698 -0.044 -0.811 1.00 1.82 H new ATOM 744 N ASP A 49 -11.698 -1.610 0.887 1.00 1.45 N ATOM 745 CA ASP A 49 -11.917 -2.986 0.488 1.00 1.57 C ATOM 746 C ASP A 49 -11.563 -3.147 -1.003 1.00 1.58 C ATOM 747 O ASP A 49 -12.350 -2.741 -1.863 1.00 1.53 O ATOM 748 CB ASP A 49 -13.377 -3.340 0.784 1.00 1.70 C ATOM 749 CG ASP A 49 -13.471 -4.831 1.013 1.00 3.53 C ATOM 750 OD1 ASP A 49 -12.932 -5.554 0.154 1.00 4.92 O ATOM 751 OD2 ASP A 49 -14.024 -5.210 2.065 1.00 4.46 O ATOM 0 H ASP A 49 -12.069 -0.940 0.213 1.00 1.45 H new ATOM 0 HA ASP A 49 -11.278 -3.671 1.045 1.00 1.57 H new ATOM 0 HB2 ASP A 49 -13.727 -2.799 1.663 1.00 1.70 H new ATOM 0 HB3 ASP A 49 -14.015 -3.043 -0.048 1.00 1.70 H new ATOM 756 N PRO A 50 -10.360 -3.649 -1.339 1.00 1.66 N ATOM 757 CA PRO A 50 -9.766 -3.510 -2.661 1.00 1.69 C ATOM 758 C PRO A 50 -10.580 -4.186 -3.759 1.00 1.73 C ATOM 759 O PRO A 50 -10.496 -3.768 -4.913 1.00 1.85 O ATOM 760 CB PRO A 50 -8.354 -4.092 -2.570 1.00 1.80 C ATOM 761 CG PRO A 50 -8.452 -5.052 -1.393 1.00 1.85 C ATOM 762 CD PRO A 50 -9.439 -4.341 -0.463 1.00 1.77 C ATOM 0 HA PRO A 50 -9.744 -2.458 -2.944 1.00 1.69 H new ATOM 0 HB2 PRO A 50 -8.070 -4.607 -3.488 1.00 1.80 H new ATOM 0 HB3 PRO A 50 -7.608 -3.316 -2.396 1.00 1.80 H new ATOM 0 HG2 PRO A 50 -8.818 -6.032 -1.699 1.00 1.85 H new ATOM 0 HG3 PRO A 50 -7.485 -5.207 -0.915 1.00 1.85 H new ATOM 0 HD2 PRO A 50 -9.963 -5.054 0.174 1.00 1.77 H new ATOM 0 HD3 PRO A 50 -8.924 -3.643 0.197 1.00 1.77 H new ATOM 770 N GLU A 51 -11.347 -5.224 -3.414 1.00 1.77 N ATOM 771 CA GLU A 51 -12.151 -5.966 -4.372 1.00 1.83 C ATOM 772 C GLU A 51 -13.402 -5.182 -4.793 1.00 1.75 C ATOM 773 O GLU A 51 -14.077 -5.586 -5.738 1.00 1.83 O ATOM 774 CB GLU A 51 -12.487 -7.362 -3.817 1.00 1.98 C ATOM 775 CG GLU A 51 -13.034 -7.359 -2.383 1.00 2.39 C ATOM 776 CD GLU A 51 -13.591 -8.723 -1.998 1.00 2.99 C ATOM 777 OE1 GLU A 51 -12.762 -9.608 -1.696 1.00 3.60 O ATOM 778 OE2 GLU A 51 -14.833 -8.867 -2.041 1.00 3.53 O ATOM 0 H GLU A 51 -11.424 -5.570 -2.457 1.00 1.77 H new ATOM 0 HA GLU A 51 -11.565 -6.105 -5.281 1.00 1.83 H new ATOM 0 HB2 GLU A 51 -13.220 -7.833 -4.472 1.00 1.98 H new ATOM 0 HB3 GLU A 51 -11.589 -7.978 -3.849 1.00 1.98 H new ATOM 0 HG2 GLU A 51 -12.241 -7.079 -1.690 1.00 2.39 H new ATOM 0 HG3 GLU A 51 -13.817 -6.606 -2.292 1.00 2.39 H new ATOM 785 N VAL A 52 -13.716 -4.073 -4.109 1.00 1.67 N ATOM 786 CA VAL A 52 -14.922 -3.287 -4.336 1.00 1.69 C ATOM 787 C VAL A 52 -14.548 -1.846 -4.682 1.00 1.63 C ATOM 788 O VAL A 52 -15.062 -1.294 -5.652 1.00 1.89 O ATOM 789 CB VAL A 52 -15.827 -3.398 -3.093 1.00 1.80 C ATOM 790 CG1 VAL A 52 -16.903 -2.306 -3.042 1.00 3.08 C ATOM 791 CG2 VAL A 52 -16.517 -4.769 -3.084 1.00 2.27 C ATOM 0 H VAL A 52 -13.123 -3.696 -3.370 1.00 1.67 H new ATOM 0 HA VAL A 52 -15.484 -3.671 -5.188 1.00 1.69 H new ATOM 0 HB VAL A 52 -15.186 -3.274 -2.220 1.00 1.80 H new ATOM 0 HG11 VAL A 52 -17.510 -2.435 -2.146 1.00 3.08 H new ATOM 0 HG12 VAL A 52 -16.426 -1.326 -3.020 1.00 3.08 H new ATOM 0 HG13 VAL A 52 -17.539 -2.380 -3.924 1.00 3.08 H new ATOM 0 HG21 VAL A 52 -17.157 -4.848 -2.205 1.00 2.27 H new ATOM 0 HG22 VAL A 52 -17.122 -4.878 -3.984 1.00 2.27 H new ATOM 0 HG23 VAL A 52 -15.763 -5.556 -3.056 1.00 2.27 H new ATOM 801 N ILE A 53 -13.674 -1.229 -3.885 1.00 1.56 N ATOM 802 CA ILE A 53 -13.193 0.132 -4.078 1.00 1.49 C ATOM 803 C ILE A 53 -11.694 0.066 -4.359 1.00 1.64 C ATOM 804 O ILE A 53 -11.005 -0.818 -3.860 1.00 2.00 O ATOM 805 CB ILE A 53 -13.578 1.004 -2.862 1.00 1.39 C ATOM 806 CG1 ILE A 53 -12.892 2.384 -2.849 1.00 1.77 C ATOM 807 CG2 ILE A 53 -13.389 0.286 -1.521 1.00 2.32 C ATOM 808 CD1 ILE A 53 -11.526 2.411 -2.145 1.00 1.19 C ATOM 0 H ILE A 53 -13.272 -1.680 -3.063 1.00 1.56 H new ATOM 0 HA ILE A 53 -13.662 0.614 -4.936 1.00 1.49 H new ATOM 0 HB ILE A 53 -14.646 1.183 -2.988 1.00 1.39 H new ATOM 0 HG12 ILE A 53 -12.763 2.721 -3.878 1.00 1.77 H new ATOM 0 HG13 ILE A 53 -13.553 3.099 -2.360 1.00 1.77 H new ATOM 0 HG21 ILE A 53 -13.677 0.952 -0.708 1.00 2.32 H new ATOM 0 HG22 ILE A 53 -14.012 -0.608 -1.496 1.00 2.32 H new ATOM 0 HG23 ILE A 53 -12.343 0.002 -1.405 1.00 2.32 H new ATOM 0 HD11 ILE A 53 -11.117 3.420 -2.184 1.00 1.19 H new ATOM 0 HD12 ILE A 53 -11.647 2.108 -1.105 1.00 1.19 H new ATOM 0 HD13 ILE A 53 -10.845 1.724 -2.646 1.00 1.19 H new ATOM 820 N GLN A 54 -11.184 0.988 -5.174 1.00 1.39 N ATOM 821 CA GLN A 54 -9.781 1.071 -5.548 1.00 1.41 C ATOM 822 C GLN A 54 -9.256 2.467 -5.196 1.00 1.32 C ATOM 823 O GLN A 54 -10.023 3.430 -5.167 1.00 1.16 O ATOM 824 CB GLN A 54 -9.651 0.751 -7.046 1.00 1.46 C ATOM 825 CG GLN A 54 -9.750 -0.752 -7.340 1.00 1.64 C ATOM 826 CD GLN A 54 -8.452 -1.462 -6.975 1.00 1.71 C ATOM 827 OE1 GLN A 54 -7.512 -1.495 -7.764 1.00 2.83 O ATOM 828 NE2 GLN A 54 -8.358 -2.000 -5.767 1.00 1.47 N ATOM 0 H GLN A 54 -11.755 1.717 -5.602 1.00 1.39 H new ATOM 0 HA GLN A 54 -9.178 0.346 -5.001 1.00 1.41 H new ATOM 0 HB2 GLN A 54 -10.432 1.277 -7.595 1.00 1.46 H new ATOM 0 HB3 GLN A 54 -8.696 1.127 -7.412 1.00 1.46 H new ATOM 0 HG2 GLN A 54 -10.577 -1.184 -6.776 1.00 1.64 H new ATOM 0 HG3 GLN A 54 -9.970 -0.907 -8.396 1.00 1.64 H new ATOM 0 HE21 GLN A 54 -9.152 -1.961 -5.128 1.00 1.47 H new ATOM 0 HE22 GLN A 54 -7.492 -2.453 -5.477 1.00 1.47 H new ATOM 837 N PRO A 55 -7.952 2.599 -4.910 1.00 1.43 N ATOM 838 CA PRO A 55 -7.376 3.841 -4.420 1.00 1.39 C ATOM 839 C PRO A 55 -7.582 5.000 -5.402 1.00 1.26 C ATOM 840 O PRO A 55 -7.775 6.138 -4.984 1.00 1.19 O ATOM 841 CB PRO A 55 -5.899 3.528 -4.157 1.00 1.55 C ATOM 842 CG PRO A 55 -5.606 2.324 -5.050 1.00 1.62 C ATOM 843 CD PRO A 55 -6.931 1.567 -5.008 1.00 1.64 C ATOM 0 HA PRO A 55 -7.866 4.183 -3.508 1.00 1.39 H new ATOM 0 HB2 PRO A 55 -5.261 4.375 -4.409 1.00 1.55 H new ATOM 0 HB3 PRO A 55 -5.722 3.297 -3.107 1.00 1.55 H new ATOM 0 HG2 PRO A 55 -5.339 2.623 -6.064 1.00 1.62 H new ATOM 0 HG3 PRO A 55 -4.781 1.723 -4.667 1.00 1.62 H new ATOM 0 HD2 PRO A 55 -7.068 0.961 -5.903 1.00 1.64 H new ATOM 0 HD3 PRO A 55 -6.972 0.890 -4.155 1.00 1.64 H new ATOM 851 N LEU A 56 -7.549 4.727 -6.708 1.00 1.28 N ATOM 852 CA LEU A 56 -7.723 5.770 -7.715 1.00 1.21 C ATOM 853 C LEU A 56 -9.160 6.288 -7.781 1.00 1.12 C ATOM 854 O LEU A 56 -9.390 7.481 -7.964 1.00 1.04 O ATOM 855 CB LEU A 56 -7.131 5.343 -9.060 1.00 1.39 C ATOM 856 CG LEU A 56 -7.978 4.566 -10.079 1.00 2.03 C ATOM 857 CD1 LEU A 56 -7.143 4.434 -11.361 1.00 3.37 C ATOM 858 CD2 LEU A 56 -8.335 3.158 -9.597 1.00 2.17 C ATOM 0 H LEU A 56 -7.403 3.793 -7.091 1.00 1.28 H new ATOM 0 HA LEU A 56 -7.146 6.641 -7.406 1.00 1.21 H new ATOM 0 HB2 LEU A 56 -6.780 6.247 -9.558 1.00 1.39 H new ATOM 0 HB3 LEU A 56 -6.251 4.736 -8.845 1.00 1.39 H new ATOM 0 HG LEU A 56 -8.911 5.107 -10.234 1.00 2.03 H new ATOM 0 HD11 LEU A 56 -7.713 3.886 -12.111 1.00 3.37 H new ATOM 0 HD12 LEU A 56 -6.902 5.426 -11.742 1.00 3.37 H new ATOM 0 HD13 LEU A 56 -6.221 3.896 -11.141 1.00 3.37 H new ATOM 0 HD21 LEU A 56 -8.934 2.655 -10.356 1.00 2.17 H new ATOM 0 HD22 LEU A 56 -7.421 2.591 -9.421 1.00 2.17 H new ATOM 0 HD23 LEU A 56 -8.905 3.224 -8.670 1.00 2.17 H new ATOM 870 N GLU A 57 -10.116 5.391 -7.563 1.00 1.16 N ATOM 871 CA GLU A 57 -11.523 5.743 -7.377 1.00 1.12 C ATOM 872 C GLU A 57 -11.650 6.703 -6.190 1.00 1.03 C ATOM 873 O GLU A 57 -12.252 7.772 -6.309 1.00 0.98 O ATOM 874 CB GLU A 57 -12.399 4.499 -7.153 1.00 1.26 C ATOM 875 CG GLU A 57 -12.251 3.429 -8.242 1.00 1.37 C ATOM 876 CD GLU A 57 -12.732 3.918 -9.601 1.00 2.07 C ATOM 877 OE1 GLU A 57 -11.886 4.480 -10.329 1.00 3.16 O ATOM 878 OE2 GLU A 57 -13.931 3.715 -9.883 1.00 2.64 O ATOM 0 H GLU A 57 -9.936 4.388 -7.510 1.00 1.16 H new ATOM 0 HA GLU A 57 -11.878 6.228 -8.286 1.00 1.12 H new ATOM 0 HB2 GLU A 57 -12.147 4.059 -6.188 1.00 1.26 H new ATOM 0 HB3 GLU A 57 -13.443 4.807 -7.100 1.00 1.26 H new ATOM 0 HG2 GLU A 57 -11.205 3.130 -8.315 1.00 1.37 H new ATOM 0 HG3 GLU A 57 -12.817 2.542 -7.956 1.00 1.37 H new ATOM 885 N ILE A 58 -11.008 6.344 -5.068 1.00 1.04 N ATOM 886 CA ILE A 58 -10.928 7.194 -3.890 1.00 0.99 C ATOM 887 C ILE A 58 -10.408 8.541 -4.352 1.00 0.94 C ATOM 888 O ILE A 58 -11.044 9.570 -4.124 1.00 0.88 O ATOM 889 CB ILE A 58 -10.058 6.536 -2.789 1.00 1.07 C ATOM 890 CG1 ILE A 58 -10.993 5.946 -1.727 1.00 1.20 C ATOM 891 CG2 ILE A 58 -9.035 7.480 -2.125 1.00 1.07 C ATOM 892 CD1 ILE A 58 -10.237 5.174 -0.642 1.00 1.39 C ATOM 0 H ILE A 58 -10.530 5.449 -4.961 1.00 1.04 H new ATOM 0 HA ILE A 58 -11.904 7.332 -3.426 1.00 0.99 H new ATOM 0 HB ILE A 58 -9.459 5.767 -3.276 1.00 1.07 H new ATOM 0 HG12 ILE A 58 -11.565 6.750 -1.264 1.00 1.20 H new ATOM 0 HG13 ILE A 58 -11.710 5.281 -2.208 1.00 1.20 H new ATOM 0 HG21 ILE A 58 -8.473 6.933 -1.368 1.00 1.07 H new ATOM 0 HG22 ILE A 58 -8.349 7.863 -2.881 1.00 1.07 H new ATOM 0 HG23 ILE A 58 -9.559 8.313 -1.656 1.00 1.07 H new ATOM 0 HD11 ILE A 58 -10.947 4.778 0.084 1.00 1.39 H new ATOM 0 HD12 ILE A 58 -9.686 4.351 -1.098 1.00 1.39 H new ATOM 0 HD13 ILE A 58 -9.539 5.843 -0.139 1.00 1.39 H new ATOM 904 N ALA A 59 -9.271 8.521 -5.052 1.00 1.01 N ATOM 905 CA ALA A 59 -8.635 9.737 -5.496 1.00 1.02 C ATOM 906 C ALA A 59 -9.622 10.578 -6.297 1.00 1.01 C ATOM 907 O ALA A 59 -9.745 11.770 -6.054 1.00 0.99 O ATOM 908 CB ALA A 59 -7.344 9.458 -6.269 1.00 1.11 C ATOM 0 H ALA A 59 -8.780 7.667 -5.318 1.00 1.01 H new ATOM 0 HA ALA A 59 -8.338 10.312 -4.619 1.00 1.02 H new ATOM 0 HB1 ALA A 59 -6.898 10.401 -6.585 1.00 1.11 H new ATOM 0 HB2 ALA A 59 -6.644 8.922 -5.627 1.00 1.11 H new ATOM 0 HB3 ALA A 59 -7.569 8.852 -7.146 1.00 1.11 H new ATOM 914 N GLN A 60 -10.363 9.959 -7.213 1.00 1.08 N ATOM 915 CA GLN A 60 -11.396 10.627 -7.989 1.00 1.12 C ATOM 916 C GLN A 60 -12.406 11.312 -7.066 1.00 1.04 C ATOM 917 O GLN A 60 -12.729 12.480 -7.270 1.00 1.04 O ATOM 918 CB GLN A 60 -12.054 9.626 -8.957 1.00 1.26 C ATOM 919 CG GLN A 60 -12.152 10.174 -10.388 1.00 1.45 C ATOM 920 CD GLN A 60 -10.814 10.299 -11.126 1.00 1.64 C ATOM 921 OE1 GLN A 60 -9.677 10.161 -10.446 1.00 2.66 O flip ATOM 922 NE2 GLN A 60 -10.798 10.534 -12.330 1.00 1.43 N flip ATOM 0 H GLN A 60 -10.259 8.969 -7.437 1.00 1.08 H new ATOM 0 HA GLN A 60 -10.947 11.415 -8.594 1.00 1.12 H new ATOM 0 HB2 GLN A 60 -11.479 8.700 -8.964 1.00 1.26 H new ATOM 0 HB3 GLN A 60 -13.052 9.379 -8.596 1.00 1.26 H new ATOM 0 HG2 GLN A 60 -12.809 9.524 -10.966 1.00 1.45 H new ATOM 0 HG3 GLN A 60 -12.624 11.156 -10.354 1.00 1.45 H new ATOM 0 HE21 GLN A 60 -11.675 10.638 -12.841 1.00 1.43 H new ATOM 0 HE22 GLN A 60 -9.908 10.626 -12.820 1.00 1.43 H new ATOM 931 N PHE A 61 -12.858 10.612 -6.023 1.00 0.98 N ATOM 932 CA PHE A 61 -13.775 11.168 -5.036 1.00 0.94 C ATOM 933 C PHE A 61 -13.165 12.425 -4.397 1.00 0.87 C ATOM 934 O PHE A 61 -13.812 13.465 -4.285 1.00 0.91 O ATOM 935 CB PHE A 61 -14.141 10.093 -3.993 1.00 0.94 C ATOM 936 CG PHE A 61 -15.631 9.941 -3.756 1.00 0.88 C ATOM 937 CD1 PHE A 61 -16.297 10.775 -2.841 1.00 2.01 C ATOM 938 CD2 PHE A 61 -16.355 8.965 -4.466 1.00 1.99 C ATOM 939 CE1 PHE A 61 -17.681 10.633 -2.634 1.00 2.09 C ATOM 940 CE2 PHE A 61 -17.738 8.821 -4.257 1.00 2.28 C ATOM 941 CZ PHE A 61 -18.400 9.649 -3.335 1.00 1.52 C ATOM 0 H PHE A 61 -12.596 9.643 -5.842 1.00 0.98 H new ATOM 0 HA PHE A 61 -14.701 11.474 -5.523 1.00 0.94 H new ATOM 0 HB2 PHE A 61 -13.736 9.134 -4.318 1.00 0.94 H new ATOM 0 HB3 PHE A 61 -13.657 10.340 -3.048 1.00 0.94 H new ATOM 0 HD1 PHE A 61 -15.745 11.526 -2.296 1.00 2.01 H new ATOM 0 HD2 PHE A 61 -15.847 8.325 -5.173 1.00 1.99 H new ATOM 0 HE1 PHE A 61 -18.192 11.280 -1.936 1.00 2.09 H new ATOM 0 HE2 PHE A 61 -18.292 8.073 -4.806 1.00 2.28 H new ATOM 0 HZ PHE A 61 -19.460 9.530 -3.165 1.00 1.52 H new ATOM 951 N ILE A 62 -11.899 12.341 -3.979 1.00 0.81 N ATOM 952 CA ILE A 62 -11.228 13.450 -3.300 1.00 0.78 C ATOM 953 C ILE A 62 -11.018 14.634 -4.255 1.00 0.83 C ATOM 954 O ILE A 62 -11.218 15.791 -3.880 1.00 0.85 O ATOM 955 CB ILE A 62 -9.904 12.983 -2.665 1.00 0.75 C ATOM 956 CG1 ILE A 62 -10.049 11.691 -1.846 1.00 1.29 C ATOM 957 CG2 ILE A 62 -9.330 14.081 -1.765 1.00 1.11 C ATOM 958 CD1 ILE A 62 -11.313 11.603 -0.998 1.00 2.64 C ATOM 0 H ILE A 62 -11.317 11.512 -4.100 1.00 0.81 H new ATOM 0 HA ILE A 62 -11.872 13.798 -2.492 1.00 0.78 H new ATOM 0 HB ILE A 62 -9.227 12.773 -3.493 1.00 0.75 H new ATOM 0 HG12 ILE A 62 -10.028 10.842 -2.529 1.00 1.29 H new ATOM 0 HG13 ILE A 62 -9.183 11.595 -1.191 1.00 1.29 H new ATOM 0 HG21 ILE A 62 -8.395 13.737 -1.323 1.00 1.11 H new ATOM 0 HG22 ILE A 62 -9.144 14.977 -2.358 1.00 1.11 H new ATOM 0 HG23 ILE A 62 -10.042 14.312 -0.973 1.00 1.11 H new ATOM 0 HD11 ILE A 62 -11.324 10.656 -0.458 1.00 2.64 H new ATOM 0 HD12 ILE A 62 -11.331 12.427 -0.285 1.00 2.64 H new ATOM 0 HD13 ILE A 62 -12.189 11.662 -1.644 1.00 2.64 H new ATOM 970 N GLN A 63 -10.620 14.335 -5.491 1.00 0.88 N ATOM 971 CA GLN A 63 -10.429 15.301 -6.561 1.00 0.96 C ATOM 972 C GLN A 63 -11.753 16.018 -6.843 1.00 1.03 C ATOM 973 O GLN A 63 -11.763 17.239 -6.971 1.00 1.08 O ATOM 974 CB GLN A 63 -9.888 14.584 -7.811 1.00 1.02 C ATOM 975 CG GLN A 63 -8.373 14.715 -8.059 1.00 1.33 C ATOM 976 CD GLN A 63 -7.437 14.551 -6.863 1.00 1.30 C ATOM 977 OE1 GLN A 63 -6.474 15.296 -6.725 1.00 2.16 O ATOM 978 NE2 GLN A 63 -7.651 13.546 -6.028 1.00 1.49 N ATOM 0 H GLN A 63 -10.416 13.378 -5.780 1.00 0.88 H new ATOM 0 HA GLN A 63 -9.697 16.053 -6.265 1.00 0.96 H new ATOM 0 HB2 GLN A 63 -10.134 13.525 -7.733 1.00 1.02 H new ATOM 0 HB3 GLN A 63 -10.414 14.970 -8.684 1.00 1.02 H new ATOM 0 HG2 GLN A 63 -8.091 13.975 -8.808 1.00 1.33 H new ATOM 0 HG3 GLN A 63 -8.189 15.697 -8.496 1.00 1.33 H new ATOM 0 HE21 GLN A 63 -8.458 12.937 -6.160 1.00 1.49 H new ATOM 0 HE22 GLN A 63 -7.008 13.381 -5.253 1.00 1.49 H new ATOM 987 N ASP A 64 -12.864 15.275 -6.921 1.00 1.06 N ATOM 988 CA ASP A 64 -14.192 15.847 -7.104 1.00 1.17 C ATOM 989 C ASP A 64 -14.517 16.785 -5.943 1.00 1.16 C ATOM 990 O ASP A 64 -14.855 17.949 -6.153 1.00 1.26 O ATOM 991 CB ASP A 64 -15.233 14.729 -7.224 1.00 1.21 C ATOM 992 CG ASP A 64 -16.633 15.310 -7.350 1.00 1.42 C ATOM 993 OD1 ASP A 64 -17.038 15.568 -8.504 1.00 2.17 O ATOM 994 OD2 ASP A 64 -17.269 15.487 -6.290 1.00 2.05 O ATOM 0 H ASP A 64 -12.861 14.257 -6.858 1.00 1.06 H new ATOM 0 HA ASP A 64 -14.214 16.427 -8.026 1.00 1.17 H new ATOM 0 HB2 ASP A 64 -15.011 14.110 -8.093 1.00 1.21 H new ATOM 0 HB3 ASP A 64 -15.180 14.081 -6.349 1.00 1.21 H new ATOM 999 N LEU A 65 -14.356 16.290 -4.711 1.00 1.06 N ATOM 1000 CA LEU A 65 -14.585 17.098 -3.520 1.00 1.08 C ATOM 1001 C LEU A 65 -13.681 18.338 -3.491 1.00 1.10 C ATOM 1002 O LEU A 65 -14.086 19.378 -2.975 1.00 1.19 O ATOM 1003 CB LEU A 65 -14.461 16.240 -2.251 1.00 1.11 C ATOM 1004 CG LEU A 65 -15.655 15.276 -2.103 1.00 2.08 C ATOM 1005 CD1 LEU A 65 -15.329 14.152 -1.116 1.00 3.23 C ATOM 1006 CD2 LEU A 65 -16.904 16.004 -1.588 1.00 3.32 C ATOM 0 H LEU A 65 -14.067 15.331 -4.518 1.00 1.06 H new ATOM 0 HA LEU A 65 -15.607 17.475 -3.554 1.00 1.08 H new ATOM 0 HB2 LEU A 65 -13.533 15.669 -2.286 1.00 1.11 H new ATOM 0 HB3 LEU A 65 -14.404 16.888 -1.376 1.00 1.11 H new ATOM 0 HG LEU A 65 -15.850 14.866 -3.094 1.00 2.08 H new ATOM 0 HD11 LEU A 65 -16.186 13.485 -1.028 1.00 3.23 H new ATOM 0 HD12 LEU A 65 -14.467 13.590 -1.476 1.00 3.23 H new ATOM 0 HD13 LEU A 65 -15.101 14.580 -0.140 1.00 3.23 H new ATOM 0 HD21 LEU A 65 -17.726 15.295 -1.496 1.00 3.32 H new ATOM 0 HD22 LEU A 65 -16.693 16.444 -0.613 1.00 3.32 H new ATOM 0 HD23 LEU A 65 -17.181 16.791 -2.289 1.00 3.32 H new ATOM 1018 N GLY A 66 -12.478 18.245 -4.064 1.00 1.06 N ATOM 1019 CA GLY A 66 -11.656 19.391 -4.431 1.00 1.09 C ATOM 1020 C GLY A 66 -10.354 19.434 -3.640 1.00 1.00 C ATOM 1021 O GLY A 66 -9.802 20.510 -3.416 1.00 1.03 O ATOM 0 H GLY A 66 -12.043 17.350 -4.289 1.00 1.06 H new ATOM 0 HA2 GLY A 66 -11.432 19.350 -5.497 1.00 1.09 H new ATOM 0 HA3 GLY A 66 -12.216 20.310 -4.258 1.00 1.09 H new ATOM 1025 N PHE A 67 -9.867 18.269 -3.209 1.00 0.95 N ATOM 1026 CA PHE A 67 -8.627 18.104 -2.468 1.00 0.84 C ATOM 1027 C PHE A 67 -7.695 17.209 -3.286 1.00 0.79 C ATOM 1028 O PHE A 67 -8.151 16.509 -4.188 1.00 0.93 O ATOM 1029 CB PHE A 67 -8.962 17.416 -1.137 1.00 0.79 C ATOM 1030 CG PHE A 67 -9.210 18.283 0.081 1.00 0.84 C ATOM 1031 CD1 PHE A 67 -9.689 19.602 -0.021 1.00 1.53 C ATOM 1032 CD2 PHE A 67 -9.133 17.674 1.343 1.00 2.11 C ATOM 1033 CE1 PHE A 67 -10.077 20.302 1.133 1.00 1.59 C ATOM 1034 CE2 PHE A 67 -9.487 18.383 2.499 1.00 2.24 C ATOM 1035 CZ PHE A 67 -9.971 19.694 2.396 1.00 1.21 C ATOM 0 H PHE A 67 -10.348 17.385 -3.376 1.00 0.95 H new ATOM 0 HA PHE A 67 -8.145 19.064 -2.283 1.00 0.84 H new ATOM 0 HB2 PHE A 67 -9.850 16.803 -1.294 1.00 0.79 H new ATOM 0 HB3 PHE A 67 -8.144 16.736 -0.900 1.00 0.79 H new ATOM 0 HD1 PHE A 67 -9.758 20.077 -0.988 1.00 1.53 H new ATOM 0 HD2 PHE A 67 -8.798 16.650 1.424 1.00 2.11 H new ATOM 0 HE1 PHE A 67 -10.458 21.309 1.050 1.00 1.59 H new ATOM 0 HE2 PHE A 67 -9.387 17.919 3.469 1.00 2.24 H new ATOM 0 HZ PHE A 67 -10.262 20.236 3.284 1.00 1.21 H new ATOM 1045 N GLU A 68 -6.418 17.151 -2.899 1.00 0.69 N ATOM 1046 CA GLU A 68 -5.519 16.108 -3.360 1.00 0.69 C ATOM 1047 C GLU A 68 -5.491 15.031 -2.285 1.00 0.63 C ATOM 1048 O GLU A 68 -5.309 15.330 -1.103 1.00 0.64 O ATOM 1049 CB GLU A 68 -4.092 16.627 -3.542 1.00 0.72 C ATOM 1050 CG GLU A 68 -3.933 17.727 -4.595 1.00 0.88 C ATOM 1051 CD GLU A 68 -2.467 18.116 -4.784 1.00 1.21 C ATOM 1052 OE1 GLU A 68 -1.618 17.558 -4.050 1.00 2.52 O ATOM 1053 OE2 GLU A 68 -2.214 18.967 -5.660 1.00 2.01 O ATOM 0 H GLU A 68 -5.988 17.823 -2.263 1.00 0.69 H new ATOM 0 HA GLU A 68 -5.872 15.736 -4.322 1.00 0.69 H new ATOM 0 HB2 GLU A 68 -3.735 17.007 -2.585 1.00 0.72 H new ATOM 0 HB3 GLU A 68 -3.449 15.790 -3.813 1.00 0.72 H new ATOM 0 HG2 GLU A 68 -4.345 17.385 -5.545 1.00 0.88 H new ATOM 0 HG3 GLU A 68 -4.507 18.604 -4.296 1.00 0.88 H new ATOM 1060 N ALA A 69 -5.632 13.778 -2.712 1.00 0.65 N ATOM 1061 CA ALA A 69 -5.291 12.611 -1.919 1.00 0.66 C ATOM 1062 C ALA A 69 -4.032 12.031 -2.540 1.00 0.69 C ATOM 1063 O ALA A 69 -4.065 11.662 -3.713 1.00 0.78 O ATOM 1064 CB ALA A 69 -6.432 11.595 -1.970 1.00 0.82 C ATOM 0 H ALA A 69 -5.994 13.547 -3.637 1.00 0.65 H new ATOM 0 HA ALA A 69 -5.130 12.868 -0.872 1.00 0.66 H new ATOM 0 HB1 ALA A 69 -6.169 10.722 -1.373 1.00 0.82 H new ATOM 0 HB2 ALA A 69 -7.340 12.047 -1.571 1.00 0.82 H new ATOM 0 HB3 ALA A 69 -6.602 11.290 -3.003 1.00 0.82 H new ATOM 1070 N ALA A 70 -2.937 11.960 -1.780 1.00 0.76 N ATOM 1071 CA ALA A 70 -1.722 11.307 -2.243 1.00 0.93 C ATOM 1072 C ALA A 70 -1.275 10.328 -1.170 1.00 0.89 C ATOM 1073 O ALA A 70 -1.082 10.711 -0.014 1.00 0.83 O ATOM 1074 CB ALA A 70 -0.628 12.326 -2.586 1.00 1.13 C ATOM 0 H ALA A 70 -2.872 12.349 -0.840 1.00 0.76 H new ATOM 0 HA ALA A 70 -1.921 10.765 -3.168 1.00 0.93 H new ATOM 0 HB1 ALA A 70 0.264 11.801 -2.928 1.00 1.13 H new ATOM 0 HB2 ALA A 70 -0.983 12.990 -3.374 1.00 1.13 H new ATOM 0 HB3 ALA A 70 -0.386 12.913 -1.700 1.00 1.13 H new ATOM 1080 N VAL A 71 -1.154 9.056 -1.548 1.00 1.02 N ATOM 1081 CA VAL A 71 -0.563 8.050 -0.697 1.00 1.03 C ATOM 1082 C VAL A 71 0.845 8.476 -0.307 1.00 1.10 C ATOM 1083 O VAL A 71 1.561 9.084 -1.099 1.00 1.20 O ATOM 1084 CB VAL A 71 -0.601 6.656 -1.340 1.00 1.27 C ATOM 1085 CG1 VAL A 71 -0.409 5.535 -0.326 1.00 2.35 C ATOM 1086 CG2 VAL A 71 -1.874 6.335 -2.121 1.00 2.33 C ATOM 0 H VAL A 71 -1.466 8.704 -2.453 1.00 1.02 H new ATOM 0 HA VAL A 71 -1.157 7.967 0.213 1.00 1.03 H new ATOM 0 HB VAL A 71 0.233 6.703 -2.040 1.00 1.27 H new ATOM 0 HG11 VAL A 71 -0.445 4.573 -0.836 1.00 2.35 H new ATOM 0 HG12 VAL A 71 0.558 5.650 0.165 1.00 2.35 H new ATOM 0 HG13 VAL A 71 -1.202 5.580 0.420 1.00 2.35 H new ATOM 0 HG21 VAL A 71 -1.803 5.329 -2.535 1.00 2.33 H new ATOM 0 HG22 VAL A 71 -2.734 6.393 -1.454 1.00 2.33 H new ATOM 0 HG23 VAL A 71 -1.995 7.054 -2.932 1.00 2.33 H new ATOM 1096 N MET A 72 1.218 8.149 0.928 1.00 1.21 N ATOM 1097 CA MET A 72 2.574 8.301 1.414 1.00 1.53 C ATOM 1098 C MET A 72 3.537 7.577 0.462 1.00 1.94 C ATOM 1099 O MET A 72 4.557 8.121 0.051 1.00 2.57 O ATOM 1100 CB MET A 72 2.613 7.700 2.823 1.00 1.72 C ATOM 1101 CG MET A 72 1.743 8.511 3.799 1.00 2.31 C ATOM 1102 SD MET A 72 1.838 8.060 5.552 1.00 3.22 S ATOM 1103 CE MET A 72 3.532 8.561 5.932 1.00 3.69 C ATOM 0 H MET A 72 0.575 7.767 1.622 1.00 1.21 H new ATOM 0 HA MET A 72 2.880 9.346 1.453 1.00 1.53 H new ATOM 0 HB2 MET A 72 2.263 6.668 2.791 1.00 1.72 H new ATOM 0 HB3 MET A 72 3.642 7.676 3.183 1.00 1.72 H new ATOM 0 HG2 MET A 72 2.016 9.562 3.704 1.00 2.31 H new ATOM 0 HG3 MET A 72 0.704 8.422 3.482 1.00 2.31 H new ATOM 0 HE1 MET A 72 3.697 8.499 7.008 1.00 3.69 H new ATOM 0 HE2 MET A 72 4.231 7.900 5.419 1.00 3.69 H new ATOM 0 HE3 MET A 72 3.691 9.587 5.599 1.00 3.69 H new ATOM 1113 N GLU A 73 3.147 6.347 0.124 1.00 1.80 N ATOM 1114 CA GLU A 73 3.786 5.330 -0.694 1.00 2.14 C ATOM 1115 C GLU A 73 2.965 4.081 -0.368 1.00 2.51 C ATOM 1116 O GLU A 73 2.564 3.317 -1.244 1.00 2.66 O ATOM 1117 CB GLU A 73 5.268 5.090 -0.293 1.00 2.39 C ATOM 1118 CG GLU A 73 6.311 5.322 -1.400 1.00 3.01 C ATOM 1119 CD GLU A 73 7.721 4.941 -0.927 1.00 3.33 C ATOM 1120 OE1 GLU A 73 8.354 5.794 -0.275 1.00 4.19 O ATOM 1121 OE2 GLU A 73 8.141 3.781 -1.151 1.00 3.56 O ATOM 0 H GLU A 73 2.252 6.001 0.469 1.00 1.80 H new ATOM 0 HA GLU A 73 3.809 5.606 -1.748 1.00 2.14 H new ATOM 0 HB2 GLU A 73 5.507 5.743 0.547 1.00 2.39 H new ATOM 0 HB3 GLU A 73 5.366 4.064 0.062 1.00 2.39 H new ATOM 0 HG2 GLU A 73 6.049 4.733 -2.279 1.00 3.01 H new ATOM 0 HG3 GLU A 73 6.297 6.369 -1.702 1.00 3.01 H new ATOM 1128 N ASP A 74 2.689 3.914 0.930 1.00 3.13 N ATOM 1129 CA ASP A 74 2.203 2.705 1.562 1.00 3.79 C ATOM 1130 C ASP A 74 0.675 2.579 1.444 1.00 3.59 C ATOM 1131 O ASP A 74 -0.096 2.521 2.398 1.00 5.05 O ATOM 1132 CB ASP A 74 2.771 2.580 2.987 1.00 5.39 C ATOM 1133 CG ASP A 74 4.052 3.390 3.199 1.00 6.31 C ATOM 1134 OD1 ASP A 74 3.918 4.634 3.176 1.00 7.54 O ATOM 1135 OD2 ASP A 74 5.153 2.798 3.214 1.00 6.31 O ATOM 0 H ASP A 74 2.810 4.673 1.600 1.00 3.13 H new ATOM 0 HA ASP A 74 2.578 1.833 1.026 1.00 3.79 H new ATOM 0 HB2 ASP A 74 2.017 2.911 3.702 1.00 5.39 H new ATOM 0 HB3 ASP A 74 2.973 1.530 3.200 1.00 5.39 H new ATOM 1140 N TYR A 75 0.282 2.467 0.183 1.00 2.39 N ATOM 1141 CA TYR A 75 -0.992 2.110 -0.421 1.00 2.60 C ATOM 1142 C TYR A 75 -1.751 0.972 0.267 1.00 3.02 C ATOM 1143 O TYR A 75 -2.967 0.872 0.087 1.00 4.13 O ATOM 1144 CB TYR A 75 -0.720 1.791 -1.902 1.00 2.65 C ATOM 1145 CG TYR A 75 0.110 0.542 -2.192 1.00 2.21 C ATOM 1146 CD1 TYR A 75 1.245 0.218 -1.428 1.00 3.15 C ATOM 1147 CD2 TYR A 75 -0.278 -0.350 -3.209 1.00 2.37 C ATOM 1148 CE1 TYR A 75 1.722 -1.090 -1.397 1.00 3.41 C ATOM 1149 CE2 TYR A 75 0.417 -1.563 -3.377 1.00 3.15 C ATOM 1150 CZ TYR A 75 1.358 -1.981 -2.417 1.00 3.31 C ATOM 1151 OH TYR A 75 1.743 -3.291 -2.399 1.00 4.35 O ATOM 0 H TYR A 75 0.962 2.656 -0.554 1.00 2.39 H new ATOM 0 HA TYR A 75 -1.664 2.960 -0.303 1.00 2.60 H new ATOM 0 HB2 TYR A 75 -1.679 1.688 -2.410 1.00 2.65 H new ATOM 0 HB3 TYR A 75 -0.214 2.647 -2.347 1.00 2.65 H new ATOM 0 HD1 TYR A 75 1.749 0.987 -0.862 1.00 3.15 H new ATOM 0 HD2 TYR A 75 -1.106 -0.105 -3.858 1.00 2.37 H new ATOM 0 HE1 TYR A 75 2.367 -1.416 -0.594 1.00 3.41 H new ATOM 0 HE2 TYR A 75 0.227 -2.175 -4.246 1.00 3.15 H new ATOM 0 HH TYR A 75 2.144 -3.502 -1.530 1.00 4.35 H new ATOM 1161 N ALA A 76 -1.056 0.126 1.034 1.00 2.65 N ATOM 1162 CA ALA A 76 -1.664 -0.749 2.020 1.00 3.15 C ATOM 1163 C ALA A 76 -0.585 -1.453 2.843 1.00 2.91 C ATOM 1164 O ALA A 76 -0.089 -0.880 3.806 1.00 3.93 O ATOM 1165 CB ALA A 76 -2.664 -1.717 1.376 1.00 3.71 C ATOM 0 H ALA A 76 -0.042 0.035 0.980 1.00 2.65 H new ATOM 0 HA ALA A 76 -2.248 -0.144 2.714 1.00 3.15 H new ATOM 0 HB1 ALA A 76 -3.099 -2.356 2.145 1.00 3.71 H new ATOM 0 HB2 ALA A 76 -3.455 -1.150 0.886 1.00 3.71 H new ATOM 0 HB3 ALA A 76 -2.150 -2.334 0.639 1.00 3.71 H new ATOM 1171 N GLY A 77 -0.237 -2.693 2.484 1.00 2.19 N ATOM 1172 CA GLY A 77 0.597 -3.551 3.317 1.00 2.37 C ATOM 1173 C GLY A 77 -0.313 -4.525 4.059 1.00 2.98 C ATOM 1174 O GLY A 77 -0.381 -4.477 5.285 1.00 3.78 O ATOM 0 H GLY A 77 -0.528 -3.126 1.607 1.00 2.19 H new ATOM 0 HA2 GLY A 77 1.315 -4.094 2.703 1.00 2.37 H new ATOM 0 HA3 GLY A 77 1.171 -2.952 4.025 1.00 2.37 H new ATOM 1178 N SER A 78 -1.094 -5.328 3.318 1.00 2.92 N ATOM 1179 CA SER A 78 -2.316 -5.911 3.866 1.00 3.72 C ATOM 1180 C SER A 78 -2.569 -7.336 3.313 1.00 3.56 C ATOM 1181 O SER A 78 -1.738 -8.198 3.574 1.00 4.54 O ATOM 1182 CB SER A 78 -3.408 -4.839 3.700 1.00 4.23 C ATOM 1183 OG SER A 78 -4.370 -4.886 4.735 1.00 5.21 O ATOM 0 H SER A 78 -0.899 -5.582 2.350 1.00 2.92 H new ATOM 0 HA SER A 78 -2.270 -6.134 4.932 1.00 3.72 H new ATOM 0 HB2 SER A 78 -2.945 -3.852 3.682 1.00 4.23 H new ATOM 0 HB3 SER A 78 -3.905 -4.976 2.739 1.00 4.23 H new ATOM 0 HG SER A 78 -5.171 -5.352 4.416 1.00 5.21 H new ATOM 1189 N ASP A 79 -3.649 -7.624 2.572 1.00 2.69 N ATOM 1190 CA ASP A 79 -4.006 -8.969 2.098 1.00 2.53 C ATOM 1191 C ASP A 79 -3.759 -9.057 0.596 1.00 1.94 C ATOM 1192 O ASP A 79 -4.387 -8.327 -0.171 1.00 2.47 O ATOM 1193 CB ASP A 79 -5.495 -9.273 2.353 1.00 3.27 C ATOM 1194 CG ASP A 79 -5.863 -9.443 3.821 1.00 4.33 C ATOM 1195 OD1 ASP A 79 -4.958 -9.764 4.617 1.00 5.11 O ATOM 1196 OD2 ASP A 79 -7.065 -9.260 4.120 1.00 5.00 O ATOM 0 H ASP A 79 -4.315 -6.910 2.278 1.00 2.69 H new ATOM 0 HA ASP A 79 -3.393 -9.689 2.641 1.00 2.53 H new ATOM 0 HB2 ASP A 79 -6.095 -8.466 1.932 1.00 3.27 H new ATOM 0 HB3 ASP A 79 -5.764 -10.183 1.816 1.00 3.27 H new ATOM 1201 N GLY A 80 -2.816 -9.893 0.146 1.00 1.66 N ATOM 1202 CA GLY A 80 -2.500 -10.094 -1.250 1.00 1.82 C ATOM 1203 C GLY A 80 -1.553 -8.995 -1.689 1.00 1.66 C ATOM 1204 O GLY A 80 -0.496 -9.267 -2.253 1.00 2.05 O ATOM 0 H GLY A 80 -2.242 -10.459 0.771 1.00 1.66 H new ATOM 0 HA2 GLY A 80 -2.041 -11.072 -1.398 1.00 1.82 H new ATOM 0 HA3 GLY A 80 -3.409 -10.074 -1.851 1.00 1.82 H new ATOM 1208 N ASN A 81 -1.933 -7.759 -1.362 1.00 1.40 N ATOM 1209 CA ASN A 81 -1.245 -6.528 -1.646 1.00 1.38 C ATOM 1210 C ASN A 81 -0.457 -6.144 -0.401 1.00 1.55 C ATOM 1211 O ASN A 81 -0.912 -5.332 0.414 1.00 1.94 O ATOM 1212 CB ASN A 81 -2.311 -5.487 -2.032 1.00 1.35 C ATOM 1213 CG ASN A 81 -1.777 -4.120 -2.436 1.00 2.70 C ATOM 1214 OD1 ASN A 81 -1.971 -3.689 -3.571 1.00 4.50 O ATOM 1215 ND2 ASN A 81 -1.149 -3.397 -1.521 1.00 2.71 N ATOM 0 H ASN A 81 -2.801 -7.595 -0.851 1.00 1.40 H new ATOM 0 HA ASN A 81 -0.539 -6.607 -2.472 1.00 1.38 H new ATOM 0 HB2 ASN A 81 -2.901 -5.886 -2.857 1.00 1.35 H new ATOM 0 HB3 ASN A 81 -2.990 -5.358 -1.189 1.00 1.35 H new ATOM 0 HD21 ASN A 81 -0.815 -2.461 -1.752 1.00 2.71 H new ATOM 0 HD22 ASN A 81 -1.000 -3.776 -0.586 1.00 2.71 H new ATOM 1222 N ILE A 82 0.727 -6.738 -0.251 1.00 1.38 N ATOM 1223 CA ILE A 82 1.630 -6.408 0.842 1.00 1.52 C ATOM 1224 C ILE A 82 2.789 -5.596 0.297 1.00 1.28 C ATOM 1225 O ILE A 82 2.930 -5.399 -0.915 1.00 1.11 O ATOM 1226 CB ILE A 82 2.121 -7.619 1.667 1.00 1.71 C ATOM 1227 CG1 ILE A 82 1.607 -8.971 1.179 1.00 2.14 C ATOM 1228 CG2 ILE A 82 1.769 -7.423 3.147 1.00 2.03 C ATOM 1229 CD1 ILE A 82 0.156 -9.241 1.585 1.00 2.94 C ATOM 0 H ILE A 82 1.082 -7.457 -0.882 1.00 1.38 H new ATOM 0 HA ILE A 82 1.057 -5.818 1.558 1.00 1.52 H new ATOM 0 HB ILE A 82 3.202 -7.650 1.531 1.00 1.71 H new ATOM 0 HG12 ILE A 82 1.689 -9.014 0.093 1.00 2.14 H new ATOM 0 HG13 ILE A 82 2.243 -9.761 1.578 1.00 2.14 H new ATOM 0 HG21 ILE A 82 2.119 -8.281 3.721 1.00 2.03 H new ATOM 0 HG22 ILE A 82 2.249 -6.518 3.518 1.00 2.03 H new ATOM 0 HG23 ILE A 82 0.688 -7.331 3.255 1.00 2.03 H new ATOM 0 HD11 ILE A 82 -0.151 -10.217 1.209 1.00 2.94 H new ATOM 0 HD12 ILE A 82 0.074 -9.229 2.672 1.00 2.94 H new ATOM 0 HD13 ILE A 82 -0.489 -8.470 1.164 1.00 2.94 H new ATOM 1241 N GLU A 83 3.611 -5.097 1.211 1.00 1.44 N ATOM 1242 CA GLU A 83 4.855 -4.471 0.914 1.00 1.29 C ATOM 1243 C GLU A 83 5.863 -4.864 1.994 1.00 1.16 C ATOM 1244 O GLU A 83 5.459 -5.332 3.059 1.00 1.26 O ATOM 1245 CB GLU A 83 4.563 -2.987 0.777 1.00 1.48 C ATOM 1246 CG GLU A 83 4.192 -2.275 2.081 1.00 2.05 C ATOM 1247 CD GLU A 83 5.424 -2.091 2.950 1.00 2.94 C ATOM 1248 OE1 GLU A 83 6.457 -1.694 2.372 1.00 2.95 O ATOM 1249 OE2 GLU A 83 5.343 -2.439 4.146 1.00 4.56 O ATOM 0 H GLU A 83 3.406 -5.127 2.210 1.00 1.44 H new ATOM 0 HA GLU A 83 5.316 -4.789 -0.021 1.00 1.29 H new ATOM 0 HB2 GLU A 83 5.439 -2.498 0.351 1.00 1.48 H new ATOM 0 HB3 GLU A 83 3.748 -2.857 0.066 1.00 1.48 H new ATOM 0 HG2 GLU A 83 3.747 -1.305 1.860 1.00 2.05 H new ATOM 0 HG3 GLU A 83 3.442 -2.855 2.619 1.00 2.05 H new ATOM 1256 N LEU A 84 7.155 -4.782 1.678 1.00 1.04 N ATOM 1257 CA LEU A 84 8.244 -5.233 2.531 1.00 1.05 C ATOM 1258 C LEU A 84 9.416 -4.273 2.393 1.00 1.04 C ATOM 1259 O LEU A 84 9.673 -3.821 1.286 1.00 1.03 O ATOM 1260 CB LEU A 84 8.698 -6.622 2.072 1.00 0.96 C ATOM 1261 CG LEU A 84 7.579 -7.678 2.028 1.00 1.60 C ATOM 1262 CD1 LEU A 84 8.010 -8.790 1.085 1.00 2.33 C ATOM 1263 CD2 LEU A 84 7.276 -8.258 3.412 1.00 2.33 C ATOM 0 H LEU A 84 7.478 -4.388 0.794 1.00 1.04 H new ATOM 0 HA LEU A 84 7.906 -5.269 3.567 1.00 1.05 H new ATOM 0 HB2 LEU A 84 9.138 -6.536 1.079 1.00 0.96 H new ATOM 0 HB3 LEU A 84 9.485 -6.972 2.740 1.00 0.96 H new ATOM 0 HG LEU A 84 6.664 -7.201 1.676 1.00 1.60 H new ATOM 0 HD11 LEU A 84 7.230 -9.550 1.039 1.00 2.33 H new ATOM 0 HD12 LEU A 84 8.175 -8.379 0.089 1.00 2.33 H new ATOM 0 HD13 LEU A 84 8.934 -9.239 1.450 1.00 2.33 H new ATOM 0 HD21 LEU A 84 6.480 -8.998 3.330 1.00 2.33 H new ATOM 0 HD22 LEU A 84 8.172 -8.732 3.812 1.00 2.33 H new ATOM 0 HD23 LEU A 84 6.959 -7.458 4.081 1.00 2.33 H new ATOM 1275 N THR A 85 10.199 -4.061 3.452 1.00 1.07 N ATOM 1276 CA THR A 85 11.501 -3.416 3.368 1.00 1.09 C ATOM 1277 C THR A 85 12.537 -4.528 3.305 1.00 0.96 C ATOM 1278 O THR A 85 12.636 -5.340 4.224 1.00 0.93 O ATOM 1279 CB THR A 85 11.731 -2.424 4.526 1.00 1.25 C ATOM 1280 OG1 THR A 85 11.345 -1.134 4.093 1.00 1.59 O ATOM 1281 CG2 THR A 85 13.190 -2.323 4.991 1.00 1.78 C ATOM 0 H THR A 85 9.940 -4.337 4.399 1.00 1.07 H new ATOM 0 HA THR A 85 11.576 -2.797 2.474 1.00 1.09 H new ATOM 0 HB THR A 85 11.143 -2.796 5.365 1.00 1.25 H new ATOM 0 HG1 THR A 85 11.864 -0.886 3.300 1.00 1.59 H new ATOM 0 HG21 THR A 85 13.263 -1.604 5.807 1.00 1.78 H new ATOM 0 HG22 THR A 85 13.530 -3.299 5.336 1.00 1.78 H new ATOM 0 HG23 THR A 85 13.815 -1.993 4.161 1.00 1.78 H new ATOM 1289 N ILE A 86 13.294 -4.551 2.207 1.00 0.95 N ATOM 1290 CA ILE A 86 14.366 -5.498 1.962 1.00 0.82 C ATOM 1291 C ILE A 86 15.681 -4.843 2.369 1.00 0.79 C ATOM 1292 O ILE A 86 16.089 -3.838 1.793 1.00 0.90 O ATOM 1293 CB ILE A 86 14.410 -6.006 0.505 1.00 0.89 C ATOM 1294 CG1 ILE A 86 13.654 -5.162 -0.533 1.00 1.10 C ATOM 1295 CG2 ILE A 86 13.856 -7.436 0.451 1.00 1.41 C ATOM 1296 CD1 ILE A 86 14.223 -3.755 -0.746 1.00 1.98 C ATOM 0 H ILE A 86 13.168 -3.887 1.443 1.00 0.95 H new ATOM 0 HA ILE A 86 14.186 -6.389 2.563 1.00 0.82 H new ATOM 0 HB ILE A 86 15.462 -5.942 0.227 1.00 0.89 H new ATOM 0 HG12 ILE A 86 13.660 -5.691 -1.486 1.00 1.10 H new ATOM 0 HG13 ILE A 86 12.613 -5.076 -0.223 1.00 1.10 H new ATOM 0 HG21 ILE A 86 13.885 -7.799 -0.576 1.00 1.41 H new ATOM 0 HG22 ILE A 86 14.462 -8.085 1.083 1.00 1.41 H new ATOM 0 HG23 ILE A 86 12.826 -7.441 0.808 1.00 1.41 H new ATOM 0 HD11 ILE A 86 13.628 -3.231 -1.494 1.00 1.98 H new ATOM 0 HD12 ILE A 86 14.191 -3.204 0.194 1.00 1.98 H new ATOM 0 HD13 ILE A 86 15.255 -3.828 -1.089 1.00 1.98 H new ATOM 1308 N THR A 87 16.322 -5.420 3.382 1.00 0.84 N ATOM 1309 CA THR A 87 17.578 -4.961 3.946 1.00 0.93 C ATOM 1310 C THR A 87 18.678 -5.930 3.502 1.00 0.95 C ATOM 1311 O THR A 87 18.411 -7.120 3.311 1.00 1.04 O ATOM 1312 CB THR A 87 17.436 -4.899 5.475 1.00 0.95 C ATOM 1313 OG1 THR A 87 16.184 -4.336 5.821 1.00 2.06 O ATOM 1314 CG2 THR A 87 18.530 -4.046 6.121 1.00 2.46 C ATOM 0 H THR A 87 15.962 -6.253 3.848 1.00 0.84 H new ATOM 0 HA THR A 87 17.841 -3.962 3.598 1.00 0.93 H new ATOM 0 HB THR A 87 17.522 -5.922 5.842 1.00 0.95 H new ATOM 0 HG1 THR A 87 16.099 -4.301 6.797 1.00 2.06 H new ATOM 0 HG21 THR A 87 18.389 -4.031 7.202 1.00 2.46 H new ATOM 0 HG22 THR A 87 19.507 -4.470 5.888 1.00 2.46 H new ATOM 0 HG23 THR A 87 18.474 -3.029 5.734 1.00 2.46 H new ATOM 1322 N GLY A 88 19.898 -5.414 3.310 1.00 1.04 N ATOM 1323 CA GLY A 88 21.065 -6.180 2.884 1.00 1.11 C ATOM 1324 C GLY A 88 21.361 -5.961 1.400 1.00 1.13 C ATOM 1325 O GLY A 88 22.518 -5.840 1.003 1.00 1.20 O ATOM 0 H GLY A 88 20.101 -4.425 3.452 1.00 1.04 H new ATOM 0 HA2 GLY A 88 21.931 -5.887 3.477 1.00 1.11 H new ATOM 0 HA3 GLY A 88 20.895 -7.240 3.071 1.00 1.11 H new ATOM 1329 N MET A 89 20.312 -5.907 0.577 1.00 1.15 N ATOM 1330 CA MET A 89 20.423 -5.629 -0.847 1.00 1.22 C ATOM 1331 C MET A 89 21.084 -4.264 -1.082 1.00 1.37 C ATOM 1332 O MET A 89 20.822 -3.315 -0.346 1.00 1.47 O ATOM 1333 CB MET A 89 19.017 -5.731 -1.457 1.00 1.32 C ATOM 1334 CG MET A 89 18.934 -5.252 -2.912 1.00 1.83 C ATOM 1335 SD MET A 89 18.818 -3.469 -3.226 1.00 2.57 S ATOM 1336 CE MET A 89 17.288 -3.098 -2.349 1.00 2.32 C ATOM 0 H MET A 89 19.353 -6.058 0.889 1.00 1.15 H new ATOM 0 HA MET A 89 21.068 -6.356 -1.340 1.00 1.22 H new ATOM 0 HB2 MET A 89 18.684 -6.768 -1.407 1.00 1.32 H new ATOM 0 HB3 MET A 89 18.326 -5.145 -0.852 1.00 1.32 H new ATOM 0 HG2 MET A 89 19.814 -5.625 -3.435 1.00 1.83 H new ATOM 0 HG3 MET A 89 18.066 -5.727 -3.369 1.00 1.83 H new ATOM 0 HE1 MET A 89 17.018 -2.055 -2.514 1.00 2.32 H new ATOM 0 HE2 MET A 89 16.491 -3.742 -2.720 1.00 2.32 H new ATOM 0 HE3 MET A 89 17.429 -3.272 -1.282 1.00 2.32 H new ATOM 1346 N THR A 90 21.936 -4.170 -2.112 1.00 1.53 N ATOM 1347 CA THR A 90 22.610 -2.928 -2.478 1.00 1.80 C ATOM 1348 C THR A 90 23.112 -2.971 -3.933 1.00 1.64 C ATOM 1349 O THR A 90 24.188 -2.451 -4.227 1.00 1.67 O ATOM 1350 CB THR A 90 23.729 -2.627 -1.455 1.00 2.22 C ATOM 1351 OG1 THR A 90 24.393 -1.421 -1.772 1.00 3.20 O ATOM 1352 CG2 THR A 90 24.767 -3.752 -1.354 1.00 1.86 C ATOM 0 H THR A 90 22.174 -4.959 -2.713 1.00 1.53 H new ATOM 0 HA THR A 90 21.900 -2.102 -2.439 1.00 1.80 H new ATOM 0 HB THR A 90 23.231 -2.539 -0.489 1.00 2.22 H new ATOM 0 HG1 THR A 90 24.589 -1.398 -2.732 1.00 3.20 H new ATOM 0 HG21 THR A 90 25.526 -3.482 -0.620 1.00 1.86 H new ATOM 0 HG22 THR A 90 24.275 -4.674 -1.045 1.00 1.86 H new ATOM 0 HG23 THR A 90 25.238 -3.901 -2.326 1.00 1.86 H new ATOM 1360 N CYS A 91 22.355 -3.575 -4.860 1.00 1.57 N ATOM 1361 CA CYS A 91 22.758 -3.650 -6.265 1.00 1.51 C ATOM 1362 C CYS A 91 21.560 -3.993 -7.155 1.00 1.47 C ATOM 1363 O CYS A 91 20.716 -4.803 -6.768 1.00 1.42 O ATOM 1364 CB CYS A 91 23.867 -4.696 -6.439 1.00 1.83 C ATOM 1365 SG CYS A 91 24.382 -4.737 -8.172 1.00 2.72 S ATOM 0 H CYS A 91 21.459 -4.019 -4.658 1.00 1.57 H new ATOM 0 HA CYS A 91 23.140 -2.675 -6.568 1.00 1.51 H new ATOM 0 HB2 CYS A 91 24.716 -4.452 -5.801 1.00 1.83 H new ATOM 0 HB3 CYS A 91 23.508 -5.678 -6.131 1.00 1.83 H new ATOM 0 HG CYS A 91 25.323 -5.620 -8.324 1.00 2.72 H new ATOM 1371 N ALA A 92 21.483 -3.394 -8.348 1.00 1.70 N ATOM 1372 CA ALA A 92 20.425 -3.649 -9.319 1.00 2.08 C ATOM 1373 C ALA A 92 20.230 -5.149 -9.553 1.00 1.53 C ATOM 1374 O ALA A 92 19.104 -5.638 -9.548 1.00 1.66 O ATOM 1375 CB ALA A 92 20.743 -2.929 -10.631 1.00 2.76 C ATOM 0 H ALA A 92 22.167 -2.708 -8.667 1.00 1.70 H new ATOM 0 HA ALA A 92 19.489 -3.260 -8.919 1.00 2.08 H new ATOM 0 HB1 ALA A 92 19.950 -3.122 -11.354 1.00 2.76 H new ATOM 0 HB2 ALA A 92 20.815 -1.857 -10.449 1.00 2.76 H new ATOM 0 HB3 ALA A 92 21.691 -3.294 -11.026 1.00 2.76 H new ATOM 1381 N SER A 93 21.322 -5.898 -9.725 1.00 1.21 N ATOM 1382 CA SER A 93 21.265 -7.339 -9.915 1.00 1.09 C ATOM 1383 C SER A 93 20.530 -8.032 -8.764 1.00 0.98 C ATOM 1384 O SER A 93 19.767 -8.969 -8.990 1.00 0.95 O ATOM 1385 CB SER A 93 22.688 -7.883 -10.062 1.00 1.46 C ATOM 1386 OG SER A 93 23.396 -7.068 -10.975 1.00 2.43 O ATOM 0 H SER A 93 22.268 -5.517 -9.736 1.00 1.21 H new ATOM 0 HA SER A 93 20.700 -7.550 -10.823 1.00 1.09 H new ATOM 0 HB2 SER A 93 23.191 -7.891 -9.095 1.00 1.46 H new ATOM 0 HB3 SER A 93 22.663 -8.913 -10.417 1.00 1.46 H new ATOM 0 HG SER A 93 24.310 -7.407 -11.075 1.00 2.43 H new ATOM 1392 N CYS A 94 20.756 -7.576 -7.526 1.00 1.01 N ATOM 1393 CA CYS A 94 20.105 -8.157 -6.359 1.00 1.04 C ATOM 1394 C CYS A 94 18.604 -7.905 -6.456 1.00 0.97 C ATOM 1395 O CYS A 94 17.815 -8.830 -6.287 1.00 0.94 O ATOM 1396 CB CYS A 94 20.671 -7.579 -5.060 1.00 1.21 C ATOM 1397 SG CYS A 94 22.351 -8.166 -4.751 1.00 1.85 S ATOM 0 H CYS A 94 21.388 -6.804 -7.312 1.00 1.01 H new ATOM 0 HA CYS A 94 20.296 -9.230 -6.341 1.00 1.04 H new ATOM 0 HB2 CYS A 94 20.669 -6.490 -5.114 1.00 1.21 H new ATOM 0 HB3 CYS A 94 20.028 -7.858 -4.226 1.00 1.21 H new ATOM 0 HG CYS A 94 22.794 -7.651 -3.642 1.00 1.85 H new ATOM 1403 N VAL A 95 18.212 -6.668 -6.774 1.00 0.97 N ATOM 1404 CA VAL A 95 16.825 -6.322 -7.077 1.00 0.95 C ATOM 1405 C VAL A 95 16.250 -7.274 -8.130 1.00 0.88 C ATOM 1406 O VAL A 95 15.225 -7.914 -7.903 1.00 0.88 O ATOM 1407 CB VAL A 95 16.733 -4.830 -7.479 1.00 1.01 C ATOM 1408 CG1 VAL A 95 15.736 -4.530 -8.610 1.00 1.34 C ATOM 1409 CG2 VAL A 95 16.400 -4.001 -6.237 1.00 1.36 C ATOM 0 H VAL A 95 18.853 -5.876 -6.828 1.00 0.97 H new ATOM 0 HA VAL A 95 16.207 -6.449 -6.188 1.00 0.95 H new ATOM 0 HB VAL A 95 17.707 -4.556 -7.884 1.00 1.01 H new ATOM 0 HG11 VAL A 95 15.739 -3.461 -8.824 1.00 1.34 H new ATOM 0 HG12 VAL A 95 16.025 -5.080 -9.505 1.00 1.34 H new ATOM 0 HG13 VAL A 95 14.736 -4.836 -8.304 1.00 1.34 H new ATOM 0 HG21 VAL A 95 16.333 -2.948 -6.510 1.00 1.36 H new ATOM 0 HG22 VAL A 95 15.446 -4.330 -5.825 1.00 1.36 H new ATOM 0 HG23 VAL A 95 17.183 -4.133 -5.491 1.00 1.36 H new ATOM 1419 N HIS A 96 16.918 -7.385 -9.278 1.00 0.86 N ATOM 1420 CA HIS A 96 16.428 -8.156 -10.413 1.00 0.83 C ATOM 1421 C HIS A 96 16.234 -9.616 -9.996 1.00 0.87 C ATOM 1422 O HIS A 96 15.238 -10.256 -10.321 1.00 0.80 O ATOM 1423 CB HIS A 96 17.420 -8.016 -11.578 1.00 0.90 C ATOM 1424 CG HIS A 96 16.783 -8.103 -12.941 1.00 1.74 C ATOM 1425 ND1 HIS A 96 16.826 -7.121 -13.906 1.00 2.54 N ATOM 1426 CD2 HIS A 96 16.058 -9.149 -13.448 1.00 2.95 C ATOM 1427 CE1 HIS A 96 16.141 -7.570 -14.971 1.00 3.40 C ATOM 1428 NE2 HIS A 96 15.659 -8.802 -14.742 1.00 3.69 N ATOM 0 H HIS A 96 17.820 -6.938 -9.444 1.00 0.86 H new ATOM 0 HA HIS A 96 15.461 -7.779 -10.745 1.00 0.83 H new ATOM 0 HB2 HIS A 96 17.935 -7.060 -11.490 1.00 0.90 H new ATOM 0 HB3 HIS A 96 18.177 -8.795 -11.492 1.00 0.90 H new ATOM 0 HD2 HIS A 96 15.835 -10.075 -12.939 1.00 2.95 H new ATOM 0 HE1 HIS A 96 15.998 -7.015 -15.887 1.00 3.40 H new ATOM 0 HE2 HIS A 96 15.110 -9.372 -15.385 1.00 3.69 H new ATOM 1436 N ASN A 97 17.200 -10.131 -9.240 1.00 1.03 N ATOM 1437 CA ASN A 97 17.206 -11.475 -8.694 1.00 1.16 C ATOM 1438 C ASN A 97 16.035 -11.678 -7.730 1.00 1.10 C ATOM 1439 O ASN A 97 15.303 -12.657 -7.858 1.00 1.10 O ATOM 1440 CB ASN A 97 18.564 -11.695 -8.029 1.00 1.48 C ATOM 1441 CG ASN A 97 18.611 -12.921 -7.134 1.00 0.99 C ATOM 1442 OD1 ASN A 97 18.319 -14.035 -7.560 1.00 1.64 O ATOM 1443 ND2 ASN A 97 18.997 -12.727 -5.878 1.00 1.88 N ATOM 0 H ASN A 97 18.031 -9.598 -8.984 1.00 1.03 H new ATOM 0 HA ASN A 97 17.070 -12.217 -9.481 1.00 1.16 H new ATOM 0 HB2 ASN A 97 19.327 -11.790 -8.802 1.00 1.48 H new ATOM 0 HB3 ASN A 97 18.817 -10.814 -7.439 1.00 1.48 H new ATOM 0 HD21 ASN A 97 19.058 -13.517 -5.235 1.00 1.88 H new ATOM 0 HD22 ASN A 97 19.233 -11.788 -5.556 1.00 1.88 H new ATOM 1450 N ILE A 98 15.835 -10.763 -6.779 1.00 1.10 N ATOM 1451 CA ILE A 98 14.690 -10.788 -5.872 1.00 1.09 C ATOM 1452 C ILE A 98 13.390 -10.833 -6.683 1.00 0.98 C ATOM 1453 O ILE A 98 12.522 -11.671 -6.443 1.00 0.98 O ATOM 1454 CB ILE A 98 14.743 -9.568 -4.928 1.00 1.17 C ATOM 1455 CG1 ILE A 98 15.878 -9.723 -3.900 1.00 1.41 C ATOM 1456 CG2 ILE A 98 13.407 -9.368 -4.199 1.00 1.18 C ATOM 1457 CD1 ILE A 98 16.270 -8.378 -3.276 1.00 0.86 C ATOM 0 H ILE A 98 16.468 -9.980 -6.617 1.00 1.10 H new ATOM 0 HA ILE A 98 14.725 -11.684 -5.252 1.00 1.09 H new ATOM 0 HB ILE A 98 14.936 -8.688 -5.542 1.00 1.17 H new ATOM 0 HG12 ILE A 98 15.565 -10.411 -3.114 1.00 1.41 H new ATOM 0 HG13 ILE A 98 16.748 -10.167 -4.384 1.00 1.41 H new ATOM 0 HG21 ILE A 98 13.477 -8.501 -3.542 1.00 1.18 H new ATOM 0 HG22 ILE A 98 12.614 -9.206 -4.930 1.00 1.18 H new ATOM 0 HG23 ILE A 98 13.179 -10.254 -3.607 1.00 1.18 H new ATOM 0 HD11 ILE A 98 17.074 -8.531 -2.556 1.00 0.86 H new ATOM 0 HD12 ILE A 98 16.608 -7.699 -4.058 1.00 0.86 H new ATOM 0 HD13 ILE A 98 15.407 -7.947 -2.769 1.00 0.86 H new ATOM 1469 N GLU A 99 13.256 -9.934 -7.657 1.00 0.92 N ATOM 1470 CA GLU A 99 12.061 -9.809 -8.459 1.00 0.88 C ATOM 1471 C GLU A 99 11.840 -11.094 -9.246 1.00 0.87 C ATOM 1472 O GLU A 99 10.720 -11.594 -9.275 1.00 0.88 O ATOM 1473 CB GLU A 99 12.080 -8.516 -9.294 1.00 0.85 C ATOM 1474 CG GLU A 99 10.784 -7.738 -9.024 1.00 1.00 C ATOM 1475 CD GLU A 99 10.734 -6.375 -9.705 1.00 1.41 C ATOM 1476 OE1 GLU A 99 11.196 -6.302 -10.862 1.00 1.97 O ATOM 1477 OE2 GLU A 99 10.245 -5.431 -9.042 1.00 2.38 O ATOM 0 H GLU A 99 13.988 -9.269 -7.907 1.00 0.92 H new ATOM 0 HA GLU A 99 11.184 -9.695 -7.822 1.00 0.88 H new ATOM 0 HB2 GLU A 99 12.947 -7.909 -9.032 1.00 0.85 H new ATOM 0 HB3 GLU A 99 12.165 -8.752 -10.355 1.00 0.85 H new ATOM 0 HG2 GLU A 99 9.936 -8.334 -9.361 1.00 1.00 H new ATOM 0 HG3 GLU A 99 10.670 -7.601 -7.949 1.00 1.00 H new ATOM 1484 N SER A 100 12.907 -11.680 -9.798 1.00 0.89 N ATOM 1485 CA SER A 100 12.860 -12.998 -10.417 1.00 0.93 C ATOM 1486 C SER A 100 12.330 -14.039 -9.423 1.00 0.95 C ATOM 1487 O SER A 100 11.373 -14.750 -9.721 1.00 0.99 O ATOM 1488 CB SER A 100 14.243 -13.369 -10.968 1.00 1.00 C ATOM 1489 OG SER A 100 14.197 -14.596 -11.669 1.00 1.35 O ATOM 0 H SER A 100 13.830 -11.247 -9.825 1.00 0.89 H new ATOM 0 HA SER A 100 12.167 -12.979 -11.258 1.00 0.93 H new ATOM 0 HB2 SER A 100 14.598 -12.580 -11.631 1.00 1.00 H new ATOM 0 HB3 SER A 100 14.958 -13.441 -10.148 1.00 1.00 H new ATOM 0 HG SER A 100 15.090 -14.810 -12.012 1.00 1.35 H new ATOM 1495 N LYS A 101 12.925 -14.127 -8.226 1.00 1.00 N ATOM 1496 CA LYS A 101 12.477 -15.043 -7.188 1.00 1.03 C ATOM 1497 C LYS A 101 10.982 -14.880 -6.931 1.00 1.02 C ATOM 1498 O LYS A 101 10.261 -15.871 -6.838 1.00 1.08 O ATOM 1499 CB LYS A 101 13.259 -14.808 -5.886 1.00 1.08 C ATOM 1500 CG LYS A 101 14.366 -15.840 -5.668 1.00 1.03 C ATOM 1501 CD LYS A 101 15.533 -15.590 -6.625 1.00 1.23 C ATOM 1502 CE LYS A 101 16.629 -16.633 -6.359 1.00 1.82 C ATOM 1503 NZ LYS A 101 17.666 -16.626 -7.408 1.00 2.69 N ATOM 0 H LYS A 101 13.730 -13.562 -7.957 1.00 1.00 H new ATOM 0 HA LYS A 101 12.664 -16.060 -7.534 1.00 1.03 H new ATOM 0 HB2 LYS A 101 13.697 -13.810 -5.905 1.00 1.08 H new ATOM 0 HB3 LYS A 101 12.569 -14.837 -5.042 1.00 1.08 H new ATOM 0 HG2 LYS A 101 14.717 -15.792 -4.637 1.00 1.03 H new ATOM 0 HG3 LYS A 101 13.970 -16.844 -5.823 1.00 1.03 H new ATOM 0 HD2 LYS A 101 15.193 -15.656 -7.659 1.00 1.23 H new ATOM 0 HD3 LYS A 101 15.928 -14.584 -6.483 1.00 1.23 H new ATOM 0 HE2 LYS A 101 17.091 -16.435 -5.392 1.00 1.82 H new ATOM 0 HE3 LYS A 101 16.179 -17.624 -6.301 1.00 1.82 H new ATOM 0 HZ1 LYS A 101 18.349 -17.389 -7.226 1.00 2.69 H new ATOM 0 HZ2 LYS A 101 17.221 -16.773 -8.337 1.00 2.69 H new ATOM 0 HZ3 LYS A 101 18.160 -15.711 -7.402 1.00 2.69 H new ATOM 1517 N LEU A 102 10.519 -13.635 -6.816 1.00 0.99 N ATOM 1518 CA LEU A 102 9.128 -13.377 -6.517 1.00 1.02 C ATOM 1519 C LEU A 102 8.307 -13.871 -7.685 1.00 0.96 C ATOM 1520 O LEU A 102 7.497 -14.773 -7.493 1.00 0.88 O ATOM 1521 CB LEU A 102 8.878 -11.894 -6.272 1.00 1.09 C ATOM 1522 CG LEU A 102 9.493 -11.439 -4.947 1.00 1.25 C ATOM 1523 CD1 LEU A 102 9.673 -9.934 -5.049 1.00 1.93 C ATOM 1524 CD2 LEU A 102 8.591 -11.767 -3.754 1.00 1.70 C ATOM 0 H LEU A 102 11.092 -12.798 -6.927 1.00 0.99 H new ATOM 0 HA LEU A 102 8.844 -13.899 -5.603 1.00 1.02 H new ATOM 0 HB2 LEU A 102 9.301 -11.312 -7.091 1.00 1.09 H new ATOM 0 HB3 LEU A 102 7.805 -11.700 -6.263 1.00 1.09 H new ATOM 0 HG LEU A 102 10.437 -11.957 -4.780 1.00 1.25 H new ATOM 0 HD11 LEU A 102 10.111 -9.556 -4.125 1.00 1.93 H new ATOM 0 HD12 LEU A 102 10.333 -9.702 -5.885 1.00 1.93 H new ATOM 0 HD13 LEU A 102 8.704 -9.462 -5.211 1.00 1.93 H new ATOM 0 HD21 LEU A 102 9.066 -11.427 -2.834 1.00 1.70 H new ATOM 0 HD22 LEU A 102 7.631 -11.264 -3.874 1.00 1.70 H new ATOM 0 HD23 LEU A 102 8.432 -12.844 -3.703 1.00 1.70 H new ATOM 1536 N THR A 103 8.539 -13.321 -8.882 1.00 1.04 N ATOM 1537 CA THR A 103 7.792 -13.718 -10.076 1.00 1.06 C ATOM 1538 C THR A 103 7.817 -15.230 -10.304 1.00 1.08 C ATOM 1539 O THR A 103 6.929 -15.761 -10.966 1.00 1.15 O ATOM 1540 CB THR A 103 8.254 -12.983 -11.343 1.00 1.12 C ATOM 1541 OG1 THR A 103 9.645 -12.777 -11.404 1.00 2.26 O ATOM 1542 CG2 THR A 103 7.513 -11.660 -11.543 1.00 1.33 C ATOM 0 H THR A 103 9.240 -12.599 -9.048 1.00 1.04 H new ATOM 0 HA THR A 103 6.762 -13.421 -9.879 1.00 1.06 H new ATOM 0 HB THR A 103 7.998 -13.654 -12.163 1.00 1.12 H new ATOM 0 HG1 THR A 103 9.903 -12.090 -10.754 1.00 2.26 H new ATOM 0 HG21 THR A 103 7.872 -11.175 -12.451 1.00 1.33 H new ATOM 0 HG22 THR A 103 6.444 -11.852 -11.633 1.00 1.33 H new ATOM 0 HG23 THR A 103 7.694 -11.009 -10.688 1.00 1.33 H new ATOM 1550 N ARG A 104 8.816 -15.930 -9.765 1.00 1.06 N ATOM 1551 CA ARG A 104 8.860 -17.383 -9.907 1.00 1.09 C ATOM 1552 C ARG A 104 7.686 -18.076 -9.191 1.00 1.10 C ATOM 1553 O ARG A 104 7.303 -19.188 -9.552 1.00 1.25 O ATOM 1554 CB ARG A 104 10.220 -17.933 -9.454 1.00 1.11 C ATOM 1555 CG ARG A 104 10.565 -19.172 -10.286 1.00 1.62 C ATOM 1556 CD ARG A 104 11.959 -19.711 -9.963 1.00 2.15 C ATOM 1557 NE ARG A 104 12.302 -20.772 -10.926 1.00 2.50 N ATOM 1558 CZ ARG A 104 12.733 -22.014 -10.649 1.00 3.27 C ATOM 1559 NH1 ARG A 104 13.124 -22.342 -9.413 1.00 4.36 N ATOM 1560 NH2 ARG A 104 12.768 -22.926 -11.627 1.00 3.96 N ATOM 0 H ARG A 104 9.589 -15.524 -9.237 1.00 1.06 H new ATOM 0 HA ARG A 104 8.745 -17.613 -10.966 1.00 1.09 H new ATOM 0 HB2 ARG A 104 10.992 -17.173 -9.575 1.00 1.11 H new ATOM 0 HB3 ARG A 104 10.188 -18.189 -8.395 1.00 1.11 H new ATOM 0 HG2 ARG A 104 9.824 -19.950 -10.102 1.00 1.62 H new ATOM 0 HG3 ARG A 104 10.509 -18.924 -11.346 1.00 1.62 H new ATOM 0 HD2 ARG A 104 12.693 -18.907 -10.012 1.00 2.15 H new ATOM 0 HD3 ARG A 104 11.984 -20.104 -8.947 1.00 2.15 H new ATOM 0 HE ARG A 104 12.201 -20.537 -11.913 1.00 2.50 H new ATOM 0 HH11 ARG A 104 13.097 -21.646 -8.668 1.00 4.36 H new ATOM 0 HH12 ARG A 104 13.449 -23.288 -9.215 1.00 4.36 H new ATOM 0 HH21 ARG A 104 12.470 -22.675 -12.569 1.00 3.96 H new ATOM 0 HH22 ARG A 104 13.093 -23.873 -11.430 1.00 3.96 H new ATOM 1574 N THR A 105 7.131 -17.432 -8.165 1.00 1.01 N ATOM 1575 CA THR A 105 6.015 -17.897 -7.365 1.00 1.10 C ATOM 1576 C THR A 105 4.723 -17.878 -8.189 1.00 1.14 C ATOM 1577 O THR A 105 4.432 -16.892 -8.858 1.00 1.28 O ATOM 1578 CB THR A 105 5.884 -16.980 -6.138 1.00 1.21 C ATOM 1579 OG1 THR A 105 7.148 -16.701 -5.569 1.00 1.44 O ATOM 1580 CG2 THR A 105 5.037 -17.641 -5.059 1.00 1.79 C ATOM 0 H THR A 105 7.473 -16.521 -7.858 1.00 1.01 H new ATOM 0 HA THR A 105 6.190 -18.924 -7.043 1.00 1.10 H new ATOM 0 HB THR A 105 5.416 -16.058 -6.484 1.00 1.21 H new ATOM 0 HG1 THR A 105 7.535 -15.912 -6.002 1.00 1.44 H new ATOM 0 HG21 THR A 105 4.957 -16.975 -4.200 1.00 1.79 H new ATOM 0 HG22 THR A 105 4.041 -17.846 -5.453 1.00 1.79 H new ATOM 0 HG23 THR A 105 5.505 -18.576 -4.751 1.00 1.79 H new ATOM 1588 N ASN A 106 3.927 -18.948 -8.106 1.00 1.16 N ATOM 1589 CA ASN A 106 2.690 -19.111 -8.867 1.00 1.28 C ATOM 1590 C ASN A 106 1.725 -17.925 -8.731 1.00 1.24 C ATOM 1591 O ASN A 106 1.230 -17.419 -9.732 1.00 1.24 O ATOM 1592 CB ASN A 106 2.003 -20.443 -8.515 1.00 1.49 C ATOM 1593 CG ASN A 106 1.514 -20.533 -7.069 1.00 1.56 C ATOM 1594 OD1 ASN A 106 2.019 -19.848 -6.183 1.00 2.18 O ATOM 1595 ND2 ASN A 106 0.526 -21.383 -6.811 1.00 1.93 N ATOM 0 H ASN A 106 4.131 -19.739 -7.495 1.00 1.16 H new ATOM 0 HA ASN A 106 2.977 -19.135 -9.918 1.00 1.28 H new ATOM 0 HB2 ASN A 106 1.154 -20.589 -9.183 1.00 1.49 H new ATOM 0 HB3 ASN A 106 2.701 -21.259 -8.702 1.00 1.49 H new ATOM 0 HD21 ASN A 106 0.170 -21.478 -5.860 1.00 1.93 H new ATOM 0 HD22 ASN A 106 0.123 -21.941 -7.564 1.00 1.93 H new ATOM 1602 N GLY A 107 1.419 -17.508 -7.500 1.00 1.24 N ATOM 1603 CA GLY A 107 0.370 -16.529 -7.242 1.00 1.25 C ATOM 1604 C GLY A 107 0.777 -15.099 -7.599 1.00 1.19 C ATOM 1605 O GLY A 107 -0.053 -14.289 -8.016 1.00 1.19 O ATOM 0 H GLY A 107 1.892 -17.840 -6.659 1.00 1.24 H new ATOM 0 HA2 GLY A 107 -0.518 -16.800 -7.812 1.00 1.25 H new ATOM 0 HA3 GLY A 107 0.096 -16.569 -6.188 1.00 1.25 H new ATOM 1609 N ILE A 108 2.043 -14.747 -7.357 1.00 1.17 N ATOM 1610 CA ILE A 108 2.453 -13.353 -7.438 1.00 1.06 C ATOM 1611 C ILE A 108 2.297 -12.863 -8.878 1.00 1.15 C ATOM 1612 O ILE A 108 2.855 -13.449 -9.803 1.00 1.32 O ATOM 1613 CB ILE A 108 3.847 -13.146 -6.824 1.00 1.03 C ATOM 1614 CG1 ILE A 108 4.014 -11.800 -6.100 1.00 1.31 C ATOM 1615 CG2 ILE A 108 4.985 -13.316 -7.825 1.00 1.04 C ATOM 1616 CD1 ILE A 108 4.240 -10.597 -7.015 1.00 1.78 C ATOM 0 H ILE A 108 2.786 -15.400 -7.108 1.00 1.17 H new ATOM 0 HA ILE A 108 1.800 -12.726 -6.831 1.00 1.06 H new ATOM 0 HB ILE A 108 3.913 -13.943 -6.083 1.00 1.03 H new ATOM 0 HG12 ILE A 108 3.125 -11.616 -5.497 1.00 1.31 H new ATOM 0 HG13 ILE A 108 4.856 -11.877 -5.412 1.00 1.31 H new ATOM 0 HG21 ILE A 108 5.939 -13.156 -7.322 1.00 1.04 H new ATOM 0 HG22 ILE A 108 4.958 -14.324 -8.239 1.00 1.04 H new ATOM 0 HG23 ILE A 108 4.873 -12.590 -8.630 1.00 1.04 H new ATOM 0 HD11 ILE A 108 4.346 -9.696 -6.411 1.00 1.78 H new ATOM 0 HD12 ILE A 108 5.147 -10.750 -7.600 1.00 1.78 H new ATOM 0 HD13 ILE A 108 3.389 -10.486 -7.687 1.00 1.78 H new ATOM 1628 N THR A 109 1.494 -11.818 -9.068 1.00 1.16 N ATOM 1629 CA THR A 109 1.108 -11.356 -10.390 1.00 1.38 C ATOM 1630 C THR A 109 1.894 -10.113 -10.789 1.00 1.19 C ATOM 1631 O THR A 109 2.327 -10.011 -11.935 1.00 1.26 O ATOM 1632 CB THR A 109 -0.414 -11.182 -10.427 1.00 1.69 C ATOM 1633 OG1 THR A 109 -1.031 -12.416 -10.107 1.00 2.26 O ATOM 1634 CG2 THR A 109 -0.898 -10.756 -11.817 1.00 2.16 C ATOM 0 H THR A 109 1.095 -11.270 -8.306 1.00 1.16 H new ATOM 0 HA THR A 109 1.365 -12.097 -11.147 1.00 1.38 H new ATOM 0 HB THR A 109 -0.679 -10.408 -9.707 1.00 1.69 H new ATOM 0 HG1 THR A 109 -0.630 -12.780 -9.290 1.00 2.26 H new ATOM 0 HG21 THR A 109 -1.982 -10.642 -11.806 1.00 2.16 H new ATOM 0 HG22 THR A 109 -0.436 -9.807 -12.088 1.00 2.16 H new ATOM 0 HG23 THR A 109 -0.621 -11.516 -12.548 1.00 2.16 H new ATOM 1642 N TYR A 110 2.121 -9.181 -9.858 1.00 1.05 N ATOM 1643 CA TYR A 110 3.131 -8.156 -10.064 1.00 0.91 C ATOM 1644 C TYR A 110 3.865 -7.865 -8.761 1.00 0.86 C ATOM 1645 O TYR A 110 3.240 -7.618 -7.729 1.00 1.00 O ATOM 1646 CB TYR A 110 2.560 -6.918 -10.773 1.00 1.19 C ATOM 1647 CG TYR A 110 1.780 -5.901 -9.957 1.00 0.96 C ATOM 1648 CD1 TYR A 110 2.465 -4.828 -9.355 1.00 1.78 C ATOM 1649 CD2 TYR A 110 0.371 -5.888 -9.999 1.00 1.89 C ATOM 1650 CE1 TYR A 110 1.748 -3.777 -8.755 1.00 1.86 C ATOM 1651 CE2 TYR A 110 -0.347 -4.837 -9.394 1.00 2.18 C ATOM 1652 CZ TYR A 110 0.344 -3.786 -8.768 1.00 1.56 C ATOM 1653 OH TYR A 110 -0.349 -2.885 -8.008 1.00 2.04 O ATOM 0 H TYR A 110 1.624 -9.120 -8.969 1.00 1.05 H new ATOM 0 HA TYR A 110 3.885 -8.532 -10.755 1.00 0.91 H new ATOM 0 HB2 TYR A 110 3.392 -6.395 -11.244 1.00 1.19 H new ATOM 0 HB3 TYR A 110 1.909 -7.268 -11.574 1.00 1.19 H new ATOM 0 HD1 TYR A 110 3.545 -4.812 -9.354 1.00 1.78 H new ATOM 0 HD2 TYR A 110 -0.160 -6.686 -10.496 1.00 1.89 H new ATOM 0 HE1 TYR A 110 2.278 -2.962 -8.284 1.00 1.86 H new ATOM 0 HE2 TYR A 110 -1.427 -4.839 -9.412 1.00 2.18 H new ATOM 0 HH TYR A 110 -1.203 -2.678 -8.443 1.00 2.04 H new ATOM 1663 N ALA A 111 5.194 -7.925 -8.817 1.00 0.75 N ATOM 1664 CA ALA A 111 6.059 -7.337 -7.809 1.00 0.73 C ATOM 1665 C ALA A 111 6.531 -5.986 -8.334 1.00 0.82 C ATOM 1666 O ALA A 111 6.523 -5.752 -9.544 1.00 0.99 O ATOM 1667 CB ALA A 111 7.257 -8.248 -7.541 1.00 0.67 C ATOM 0 H ALA A 111 5.700 -8.388 -9.572 1.00 0.75 H new ATOM 0 HA ALA A 111 5.518 -7.213 -6.871 1.00 0.73 H new ATOM 0 HB1 ALA A 111 7.897 -7.795 -6.784 1.00 0.67 H new ATOM 0 HB2 ALA A 111 6.905 -9.217 -7.186 1.00 0.67 H new ATOM 0 HB3 ALA A 111 7.825 -8.383 -8.462 1.00 0.67 H new ATOM 1673 N SER A 112 6.901 -5.074 -7.438 1.00 0.80 N ATOM 1674 CA SER A 112 7.651 -3.884 -7.814 1.00 0.86 C ATOM 1675 C SER A 112 8.633 -3.550 -6.693 1.00 0.80 C ATOM 1676 O SER A 112 8.181 -3.080 -5.648 1.00 0.96 O ATOM 1677 CB SER A 112 6.684 -2.732 -8.109 1.00 1.08 C ATOM 1678 OG SER A 112 5.748 -3.115 -9.100 1.00 2.14 O ATOM 0 H SER A 112 6.691 -5.140 -6.442 1.00 0.80 H new ATOM 0 HA SER A 112 8.224 -4.058 -8.725 1.00 0.86 H new ATOM 0 HB2 SER A 112 6.161 -2.445 -7.197 1.00 1.08 H new ATOM 0 HB3 SER A 112 7.242 -1.858 -8.445 1.00 1.08 H new ATOM 0 HG SER A 112 5.995 -3.992 -9.462 1.00 2.14 H new ATOM 1684 N VAL A 113 9.937 -3.795 -6.872 1.00 0.73 N ATOM 1685 CA VAL A 113 10.944 -3.471 -5.858 1.00 0.72 C ATOM 1686 C VAL A 113 11.663 -2.148 -6.147 1.00 0.84 C ATOM 1687 O VAL A 113 12.175 -1.938 -7.244 1.00 0.94 O ATOM 1688 CB VAL A 113 11.863 -4.667 -5.551 1.00 0.78 C ATOM 1689 CG1 VAL A 113 12.764 -5.063 -6.718 1.00 1.94 C ATOM 1690 CG2 VAL A 113 12.749 -4.366 -4.336 1.00 2.35 C ATOM 0 H VAL A 113 10.320 -4.220 -7.717 1.00 0.73 H new ATOM 0 HA VAL A 113 10.422 -3.285 -4.919 1.00 0.72 H new ATOM 0 HB VAL A 113 11.194 -5.504 -5.350 1.00 0.78 H new ATOM 0 HG11 VAL A 113 13.383 -5.912 -6.428 1.00 1.94 H new ATOM 0 HG12 VAL A 113 12.149 -5.338 -7.575 1.00 1.94 H new ATOM 0 HG13 VAL A 113 13.404 -4.222 -6.985 1.00 1.94 H new ATOM 0 HG21 VAL A 113 13.392 -5.222 -4.134 1.00 2.35 H new ATOM 0 HG22 VAL A 113 13.365 -3.491 -4.543 1.00 2.35 H new ATOM 0 HG23 VAL A 113 12.121 -4.171 -3.467 1.00 2.35 H new ATOM 1700 N ALA A 114 11.674 -1.240 -5.159 1.00 0.92 N ATOM 1701 CA ALA A 114 12.164 0.125 -5.289 1.00 1.08 C ATOM 1702 C ALA A 114 13.237 0.399 -4.228 1.00 1.11 C ATOM 1703 O ALA A 114 12.947 0.647 -3.058 1.00 1.20 O ATOM 1704 CB ALA A 114 10.983 1.092 -5.192 1.00 1.21 C ATOM 0 H ALA A 114 11.330 -1.450 -4.222 1.00 0.92 H new ATOM 0 HA ALA A 114 12.635 0.271 -6.261 1.00 1.08 H new ATOM 0 HB1 ALA A 114 11.343 2.116 -5.289 1.00 1.21 H new ATOM 0 HB2 ALA A 114 10.273 0.880 -5.991 1.00 1.21 H new ATOM 0 HB3 ALA A 114 10.491 0.970 -4.227 1.00 1.21 H new ATOM 1710 N LEU A 115 14.498 0.358 -4.656 1.00 1.11 N ATOM 1711 CA LEU A 115 15.682 0.377 -3.801 1.00 1.15 C ATOM 1712 C LEU A 115 15.984 1.760 -3.228 1.00 1.26 C ATOM 1713 O LEU A 115 16.535 1.864 -2.136 1.00 1.23 O ATOM 1714 CB LEU A 115 16.893 -0.213 -4.546 1.00 1.19 C ATOM 1715 CG LEU A 115 17.434 0.643 -5.707 1.00 1.46 C ATOM 1716 CD1 LEU A 115 18.646 1.472 -5.260 1.00 2.20 C ATOM 1717 CD2 LEU A 115 17.868 -0.261 -6.867 1.00 1.78 C ATOM 0 H LEU A 115 14.731 0.309 -5.648 1.00 1.11 H new ATOM 0 HA LEU A 115 15.466 -0.255 -2.940 1.00 1.15 H new ATOM 0 HB2 LEU A 115 17.698 -0.372 -3.828 1.00 1.19 H new ATOM 0 HB3 LEU A 115 16.616 -1.192 -4.937 1.00 1.19 H new ATOM 0 HG LEU A 115 16.635 1.313 -6.026 1.00 1.46 H new ATOM 0 HD11 LEU A 115 19.009 2.067 -6.098 1.00 2.20 H new ATOM 0 HD12 LEU A 115 18.354 2.134 -4.445 1.00 2.20 H new ATOM 0 HD13 LEU A 115 19.438 0.805 -4.919 1.00 2.20 H new ATOM 0 HD21 LEU A 115 18.249 0.352 -7.683 1.00 1.78 H new ATOM 0 HD22 LEU A 115 18.651 -0.939 -6.527 1.00 1.78 H new ATOM 0 HD23 LEU A 115 17.013 -0.840 -7.217 1.00 1.78 H new ATOM 1729 N ALA A 116 15.615 2.827 -3.943 1.00 1.42 N ATOM 1730 CA ALA A 116 15.875 4.193 -3.503 1.00 1.52 C ATOM 1731 C ALA A 116 15.132 4.448 -2.192 1.00 1.55 C ATOM 1732 O ALA A 116 15.621 5.128 -1.295 1.00 1.72 O ATOM 1733 CB ALA A 116 15.413 5.166 -4.591 1.00 1.50 C ATOM 0 H ALA A 116 15.130 2.765 -4.838 1.00 1.42 H new ATOM 0 HA ALA A 116 16.941 4.341 -3.332 1.00 1.52 H new ATOM 0 HB1 ALA A 116 15.604 6.190 -4.269 1.00 1.50 H new ATOM 0 HB2 ALA A 116 15.960 4.967 -5.513 1.00 1.50 H new ATOM 0 HB3 ALA A 116 14.345 5.035 -4.767 1.00 1.50 H new ATOM 1739 N THR A 117 13.934 3.873 -2.118 1.00 1.44 N ATOM 1740 CA THR A 117 13.042 3.894 -0.976 1.00 1.56 C ATOM 1741 C THR A 117 13.367 2.701 -0.060 1.00 1.52 C ATOM 1742 O THR A 117 13.239 2.791 1.158 1.00 1.71 O ATOM 1743 CB THR A 117 11.580 3.969 -1.482 1.00 1.63 C ATOM 1744 OG1 THR A 117 10.779 2.904 -1.040 1.00 2.47 O ATOM 1745 CG2 THR A 117 11.411 3.984 -3.005 1.00 1.57 C ATOM 0 H THR A 117 13.543 3.351 -2.903 1.00 1.44 H new ATOM 0 HA THR A 117 13.182 4.779 -0.356 1.00 1.56 H new ATOM 0 HB THR A 117 11.265 4.923 -1.060 1.00 1.63 H new ATOM 0 HG1 THR A 117 9.837 3.172 -1.062 1.00 2.47 H new ATOM 0 HG21 THR A 117 10.351 4.038 -3.253 1.00 1.57 H new ATOM 0 HG22 THR A 117 11.925 4.851 -3.420 1.00 1.57 H new ATOM 0 HG23 THR A 117 11.837 3.074 -3.427 1.00 1.57 H new ATOM 1753 N SER A 118 13.835 1.596 -0.653 1.00 1.38 N ATOM 1754 CA SER A 118 14.136 0.335 0.006 1.00 1.38 C ATOM 1755 C SER A 118 12.862 -0.284 0.568 1.00 1.24 C ATOM 1756 O SER A 118 12.829 -0.744 1.712 1.00 1.33 O ATOM 1757 CB SER A 118 15.268 0.462 1.034 1.00 1.69 C ATOM 1758 OG SER A 118 16.481 0.796 0.385 1.00 2.07 O ATOM 0 H SER A 118 14.021 1.563 -1.655 1.00 1.38 H new ATOM 0 HA SER A 118 14.525 -0.358 -0.740 1.00 1.38 H new ATOM 0 HB2 SER A 118 15.018 1.227 1.769 1.00 1.69 H new ATOM 0 HB3 SER A 118 15.384 -0.476 1.577 1.00 1.69 H new ATOM 0 HG SER A 118 16.287 1.160 -0.504 1.00 2.07 H new ATOM 1764 N LYS A 119 11.838 -0.376 -0.287 1.00 1.13 N ATOM 1765 CA LYS A 119 10.754 -1.312 -0.085 1.00 1.13 C ATOM 1766 C LYS A 119 10.334 -1.950 -1.408 1.00 0.92 C ATOM 1767 O LYS A 119 10.739 -1.515 -2.488 1.00 0.93 O ATOM 1768 CB LYS A 119 9.593 -0.672 0.690 1.00 1.64 C ATOM 1769 CG LYS A 119 9.149 0.649 0.052 1.00 1.57 C ATOM 1770 CD LYS A 119 7.628 0.810 0.079 1.00 2.14 C ATOM 1771 CE LYS A 119 7.072 1.177 1.460 1.00 2.14 C ATOM 1772 NZ LYS A 119 7.352 2.576 1.837 1.00 2.81 N ATOM 0 H LYS A 119 11.748 0.195 -1.127 1.00 1.13 H new ATOM 0 HA LYS A 119 11.109 -2.127 0.546 1.00 1.13 H new ATOM 0 HB2 LYS A 119 8.751 -1.363 0.721 1.00 1.64 H new ATOM 0 HB3 LYS A 119 9.897 -0.494 1.721 1.00 1.64 H new ATOM 0 HG2 LYS A 119 9.612 1.482 0.581 1.00 1.57 H new ATOM 0 HG3 LYS A 119 9.501 0.691 -0.979 1.00 1.57 H new ATOM 0 HD2 LYS A 119 7.340 1.581 -0.635 1.00 2.14 H new ATOM 0 HD3 LYS A 119 7.167 -0.120 -0.253 1.00 2.14 H new ATOM 0 HE2 LYS A 119 5.995 1.012 1.468 1.00 2.14 H new ATOM 0 HE3 LYS A 119 7.502 0.511 2.208 1.00 2.14 H new ATOM 0 HZ1 LYS A 119 6.651 2.894 2.536 1.00 2.81 H new ATOM 0 HZ2 LYS A 119 8.305 2.641 2.248 1.00 2.81 H new ATOM 0 HZ3 LYS A 119 7.298 3.181 0.993 1.00 2.81 H new ATOM 1786 N ALA A 120 9.554 -3.022 -1.297 1.00 0.89 N ATOM 1787 CA ALA A 120 9.076 -3.865 -2.367 1.00 0.82 C ATOM 1788 C ALA A 120 7.582 -4.032 -2.196 1.00 0.91 C ATOM 1789 O ALA A 120 7.157 -4.334 -1.086 1.00 0.97 O ATOM 1790 CB ALA A 120 9.761 -5.235 -2.282 1.00 0.78 C ATOM 0 H ALA A 120 9.220 -3.339 -0.387 1.00 0.89 H new ATOM 0 HA ALA A 120 9.299 -3.418 -3.336 1.00 0.82 H new ATOM 0 HB1 ALA A 120 9.401 -5.873 -3.089 1.00 0.78 H new ATOM 0 HB2 ALA A 120 10.840 -5.109 -2.373 1.00 0.78 H new ATOM 0 HB3 ALA A 120 9.530 -5.699 -1.323 1.00 0.78 H new ATOM 1796 N LEU A 121 6.806 -3.863 -3.268 1.00 0.94 N ATOM 1797 CA LEU A 121 5.382 -4.149 -3.268 1.00 1.00 C ATOM 1798 C LEU A 121 5.188 -5.544 -3.861 1.00 0.87 C ATOM 1799 O LEU A 121 5.862 -5.879 -4.838 1.00 0.86 O ATOM 1800 CB LEU A 121 4.617 -3.121 -4.113 1.00 1.16 C ATOM 1801 CG LEU A 121 4.745 -1.633 -3.722 1.00 1.57 C ATOM 1802 CD1 LEU A 121 4.978 -1.393 -2.234 1.00 2.01 C ATOM 1803 CD2 LEU A 121 5.836 -0.902 -4.497 1.00 2.01 C ATOM 0 H LEU A 121 7.156 -3.521 -4.163 1.00 0.94 H new ATOM 0 HA LEU A 121 4.997 -4.099 -2.250 1.00 1.00 H new ATOM 0 HB2 LEU A 121 4.946 -3.226 -5.147 1.00 1.16 H new ATOM 0 HB3 LEU A 121 3.560 -3.385 -4.086 1.00 1.16 H new ATOM 0 HG LEU A 121 3.769 -1.227 -3.988 1.00 1.57 H new ATOM 0 HD11 LEU A 121 5.056 -0.322 -2.046 1.00 2.01 H new ATOM 0 HD12 LEU A 121 4.143 -1.801 -1.664 1.00 2.01 H new ATOM 0 HD13 LEU A 121 5.901 -1.884 -1.927 1.00 2.01 H new ATOM 0 HD21 LEU A 121 5.875 0.139 -4.176 1.00 2.01 H new ATOM 0 HD22 LEU A 121 6.798 -1.377 -4.306 1.00 2.01 H new ATOM 0 HD23 LEU A 121 5.616 -0.945 -5.564 1.00 2.01 H new ATOM 1815 N VAL A 122 4.292 -6.348 -3.273 1.00 0.89 N ATOM 1816 CA VAL A 122 4.035 -7.730 -3.665 1.00 0.82 C ATOM 1817 C VAL A 122 2.527 -7.930 -3.805 1.00 0.92 C ATOM 1818 O VAL A 122 1.790 -7.579 -2.881 1.00 1.08 O ATOM 1819 CB VAL A 122 4.576 -8.699 -2.598 1.00 0.78 C ATOM 1820 CG1 VAL A 122 4.584 -10.135 -3.129 1.00 1.75 C ATOM 1821 CG2 VAL A 122 6.003 -8.353 -2.178 1.00 2.27 C ATOM 0 H VAL A 122 3.713 -6.042 -2.491 1.00 0.89 H new ATOM 0 HA VAL A 122 4.535 -7.933 -4.612 1.00 0.82 H new ATOM 0 HB VAL A 122 3.914 -8.607 -1.737 1.00 0.78 H new ATOM 0 HG11 VAL A 122 4.970 -10.805 -2.361 1.00 1.75 H new ATOM 0 HG12 VAL A 122 3.569 -10.431 -3.392 1.00 1.75 H new ATOM 0 HG13 VAL A 122 5.219 -10.193 -4.013 1.00 1.75 H new ATOM 0 HG21 VAL A 122 6.343 -9.063 -1.424 1.00 2.27 H new ATOM 0 HG22 VAL A 122 6.660 -8.403 -3.046 1.00 2.27 H new ATOM 0 HG23 VAL A 122 6.026 -7.345 -1.764 1.00 2.27 H new ATOM 1831 N LYS A 123 2.074 -8.476 -4.942 1.00 0.87 N ATOM 1832 CA LYS A 123 0.667 -8.696 -5.237 1.00 0.95 C ATOM 1833 C LYS A 123 0.437 -10.188 -5.503 1.00 0.97 C ATOM 1834 O LYS A 123 0.646 -10.624 -6.637 1.00 1.02 O ATOM 1835 CB LYS A 123 0.308 -7.855 -6.468 1.00 1.00 C ATOM 1836 CG LYS A 123 0.739 -6.384 -6.341 1.00 1.02 C ATOM 1837 CD LYS A 123 -0.189 -5.526 -5.481 1.00 1.67 C ATOM 1838 CE LYS A 123 -1.603 -5.442 -6.081 1.00 2.84 C ATOM 1839 NZ LYS A 123 -2.062 -4.046 -6.207 1.00 3.43 N ATOM 0 H LYS A 123 2.695 -8.780 -5.692 1.00 0.87 H new ATOM 0 HA LYS A 123 0.035 -8.400 -4.400 1.00 0.95 H new ATOM 0 HB2 LYS A 123 0.780 -8.291 -7.348 1.00 1.00 H new ATOM 0 HB3 LYS A 123 -0.769 -7.899 -6.629 1.00 1.00 H new ATOM 0 HG2 LYS A 123 1.743 -6.347 -5.918 1.00 1.02 H new ATOM 0 HG3 LYS A 123 0.797 -5.948 -7.338 1.00 1.02 H new ATOM 0 HD2 LYS A 123 -0.244 -5.944 -4.476 1.00 1.67 H new ATOM 0 HD3 LYS A 123 0.227 -4.523 -5.386 1.00 1.67 H new ATOM 0 HE2 LYS A 123 -1.610 -5.917 -7.062 1.00 2.84 H new ATOM 0 HE3 LYS A 123 -2.298 -5.998 -5.452 1.00 2.84 H new ATOM 0 HZ1 LYS A 123 -2.900 -4.010 -6.822 1.00 3.43 H new ATOM 0 HZ2 LYS A 123 -2.306 -3.675 -5.267 1.00 3.43 H new ATOM 0 HZ3 LYS A 123 -1.304 -3.467 -6.622 1.00 3.43 H new ATOM 1853 N PHE A 124 0.041 -10.970 -4.488 1.00 1.02 N ATOM 1854 CA PHE A 124 -0.272 -12.401 -4.654 1.00 1.10 C ATOM 1855 C PHE A 124 -1.649 -12.748 -4.070 1.00 1.17 C ATOM 1856 O PHE A 124 -2.340 -11.857 -3.584 1.00 1.24 O ATOM 1857 CB PHE A 124 0.829 -13.276 -4.038 1.00 1.21 C ATOM 1858 CG PHE A 124 0.852 -13.253 -2.527 1.00 1.27 C ATOM 1859 CD1 PHE A 124 1.281 -12.099 -1.854 1.00 2.43 C ATOM 1860 CD2 PHE A 124 0.316 -14.325 -1.792 1.00 2.39 C ATOM 1861 CE1 PHE A 124 1.113 -12.002 -0.468 1.00 2.46 C ATOM 1862 CE2 PHE A 124 0.265 -14.263 -0.391 1.00 2.62 C ATOM 1863 CZ PHE A 124 0.607 -13.078 0.271 1.00 1.78 C ATOM 0 H PHE A 124 -0.072 -10.632 -3.532 1.00 1.02 H new ATOM 0 HA PHE A 124 -0.311 -12.610 -5.723 1.00 1.10 H new ATOM 0 HB2 PHE A 124 0.694 -14.304 -4.374 1.00 1.21 H new ATOM 0 HB3 PHE A 124 1.797 -12.943 -4.412 1.00 1.21 H new ATOM 0 HD1 PHE A 124 1.739 -11.289 -2.403 1.00 2.43 H new ATOM 0 HD2 PHE A 124 -0.057 -15.198 -2.307 1.00 2.39 H new ATOM 0 HE1 PHE A 124 1.377 -11.085 0.038 1.00 2.46 H new ATOM 0 HE2 PHE A 124 -0.038 -15.130 0.177 1.00 2.62 H new ATOM 0 HZ PHE A 124 0.482 -12.995 1.340 1.00 1.78 H new ATOM 1873 N ASP A 125 -2.047 -14.030 -4.114 1.00 1.25 N ATOM 1874 CA ASP A 125 -3.310 -14.513 -3.560 1.00 1.34 C ATOM 1875 C ASP A 125 -3.056 -15.150 -2.185 1.00 1.40 C ATOM 1876 O ASP A 125 -2.348 -16.161 -2.111 1.00 1.39 O ATOM 1877 CB ASP A 125 -3.927 -15.546 -4.507 1.00 1.35 C ATOM 1878 CG ASP A 125 -4.344 -14.928 -5.831 1.00 2.05 C ATOM 1879 OD1 ASP A 125 -5.328 -14.159 -5.813 1.00 2.50 O ATOM 1880 OD2 ASP A 125 -3.656 -15.228 -6.830 1.00 3.38 O ATOM 0 H ASP A 125 -1.487 -14.767 -4.543 1.00 1.25 H new ATOM 0 HA ASP A 125 -4.000 -13.677 -3.447 1.00 1.34 H new ATOM 0 HB2 ASP A 125 -3.208 -16.345 -4.690 1.00 1.35 H new ATOM 0 HB3 ASP A 125 -4.795 -16.002 -4.030 1.00 1.35 H new ATOM 1885 N PRO A 126 -3.591 -14.586 -1.088 1.00 1.49 N ATOM 1886 CA PRO A 126 -3.254 -14.998 0.266 1.00 1.56 C ATOM 1887 C PRO A 126 -3.971 -16.286 0.670 1.00 1.69 C ATOM 1888 O PRO A 126 -4.831 -16.291 1.548 1.00 1.82 O ATOM 1889 CB PRO A 126 -3.613 -13.803 1.144 1.00 1.64 C ATOM 1890 CG PRO A 126 -4.817 -13.206 0.417 1.00 1.68 C ATOM 1891 CD PRO A 126 -4.459 -13.419 -1.054 1.00 1.55 C ATOM 0 HA PRO A 126 -2.199 -15.250 0.368 1.00 1.56 H new ATOM 0 HB2 PRO A 126 -3.863 -14.107 2.160 1.00 1.64 H new ATOM 0 HB3 PRO A 126 -2.790 -13.092 1.217 1.00 1.64 H new ATOM 0 HG2 PRO A 126 -5.744 -13.712 0.686 1.00 1.68 H new ATOM 0 HG3 PRO A 126 -4.950 -12.150 0.653 1.00 1.68 H new ATOM 0 HD2 PRO A 126 -5.354 -13.580 -1.654 1.00 1.55 H new ATOM 0 HD3 PRO A 126 -3.954 -12.544 -1.464 1.00 1.55 H new ATOM 1899 N GLU A 127 -3.563 -17.387 0.046 1.00 1.67 N ATOM 1900 CA GLU A 127 -4.063 -18.722 0.315 1.00 1.82 C ATOM 1901 C GLU A 127 -3.110 -19.763 -0.271 1.00 1.78 C ATOM 1902 O GLU A 127 -2.786 -20.744 0.395 1.00 1.86 O ATOM 1903 CB GLU A 127 -5.499 -18.892 -0.207 1.00 1.95 C ATOM 1904 CG GLU A 127 -5.738 -18.368 -1.631 1.00 2.46 C ATOM 1905 CD GLU A 127 -7.107 -18.803 -2.134 1.00 2.80 C ATOM 1906 OE1 GLU A 127 -8.098 -18.443 -1.465 1.00 2.54 O ATOM 1907 OE2 GLU A 127 -7.131 -19.520 -3.157 1.00 3.99 O ATOM 0 H GLU A 127 -2.851 -17.369 -0.684 1.00 1.67 H new ATOM 0 HA GLU A 127 -4.104 -18.874 1.394 1.00 1.82 H new ATOM 0 HB2 GLU A 127 -5.757 -19.950 -0.177 1.00 1.95 H new ATOM 0 HB3 GLU A 127 -6.180 -18.378 0.472 1.00 1.95 H new ATOM 0 HG2 GLU A 127 -5.669 -17.280 -1.641 1.00 2.46 H new ATOM 0 HG3 GLU A 127 -4.962 -18.743 -2.298 1.00 2.46 H new ATOM 1914 N ILE A 128 -2.648 -19.556 -1.509 1.00 1.66 N ATOM 1915 CA ILE A 128 -1.838 -20.534 -2.208 1.00 1.63 C ATOM 1916 C ILE A 128 -0.378 -20.450 -1.782 1.00 1.64 C ATOM 1917 O ILE A 128 0.339 -21.447 -1.805 1.00 1.71 O ATOM 1918 CB ILE A 128 -1.986 -20.377 -3.730 1.00 1.54 C ATOM 1919 CG1 ILE A 128 -2.139 -18.913 -4.169 1.00 1.41 C ATOM 1920 CG2 ILE A 128 -3.169 -21.229 -4.214 1.00 1.65 C ATOM 1921 CD1 ILE A 128 -1.832 -18.747 -5.653 1.00 1.56 C ATOM 0 H ILE A 128 -2.829 -18.707 -2.044 1.00 1.66 H new ATOM 0 HA ILE A 128 -2.200 -21.526 -1.936 1.00 1.63 H new ATOM 0 HB ILE A 128 -1.065 -20.730 -4.194 1.00 1.54 H new ATOM 0 HG12 ILE A 128 -3.155 -18.574 -3.965 1.00 1.41 H new ATOM 0 HG13 ILE A 128 -1.469 -18.283 -3.584 1.00 1.41 H new ATOM 0 HG21 ILE A 128 -3.278 -21.121 -5.293 1.00 1.65 H new ATOM 0 HG22 ILE A 128 -2.987 -22.276 -3.971 1.00 1.65 H new ATOM 0 HG23 ILE A 128 -4.083 -20.896 -3.722 1.00 1.65 H new ATOM 0 HD11 ILE A 128 -1.949 -17.700 -5.934 1.00 1.56 H new ATOM 0 HD12 ILE A 128 -0.808 -19.063 -5.850 1.00 1.56 H new ATOM 0 HD13 ILE A 128 -2.520 -19.358 -6.237 1.00 1.56 H new ATOM 1933 N ILE A 129 0.058 -19.247 -1.418 1.00 1.57 N ATOM 1934 CA ILE A 129 1.396 -18.965 -0.939 1.00 1.53 C ATOM 1935 C ILE A 129 1.250 -17.979 0.225 1.00 1.62 C ATOM 1936 O ILE A 129 0.143 -17.500 0.472 1.00 1.63 O ATOM 1937 CB ILE A 129 2.253 -18.487 -2.137 1.00 1.35 C ATOM 1938 CG1 ILE A 129 3.429 -19.432 -2.420 1.00 1.43 C ATOM 1939 CG2 ILE A 129 2.679 -17.017 -2.073 1.00 1.23 C ATOM 1940 CD1 ILE A 129 4.554 -19.375 -1.388 1.00 1.39 C ATOM 0 H ILE A 129 -0.535 -18.418 -1.452 1.00 1.57 H new ATOM 0 HA ILE A 129 1.928 -19.831 -0.545 1.00 1.53 H new ATOM 0 HB ILE A 129 1.584 -18.535 -2.997 1.00 1.35 H new ATOM 0 HG12 ILE A 129 3.053 -20.454 -2.472 1.00 1.43 H new ATOM 0 HG13 ILE A 129 3.841 -19.194 -3.401 1.00 1.43 H new ATOM 0 HG21 ILE A 129 3.275 -16.772 -2.952 1.00 1.23 H new ATOM 0 HG22 ILE A 129 1.793 -16.382 -2.047 1.00 1.23 H new ATOM 0 HG23 ILE A 129 3.273 -16.849 -1.174 1.00 1.23 H new ATOM 0 HD11 ILE A 129 5.341 -20.075 -1.669 1.00 1.39 H new ATOM 0 HD12 ILE A 129 4.963 -18.365 -1.351 1.00 1.39 H new ATOM 0 HD13 ILE A 129 4.162 -19.644 -0.407 1.00 1.39 H new ATOM 1952 N GLY A 130 2.331 -17.692 0.958 1.00 1.74 N ATOM 1953 CA GLY A 130 2.287 -16.807 2.112 1.00 1.91 C ATOM 1954 C GLY A 130 3.623 -16.089 2.296 1.00 1.69 C ATOM 1955 O GLY A 130 4.647 -16.542 1.781 1.00 1.53 O ATOM 0 H GLY A 130 3.258 -18.070 0.763 1.00 1.74 H new ATOM 0 HA2 GLY A 130 1.490 -16.075 1.984 1.00 1.91 H new ATOM 0 HA3 GLY A 130 2.051 -17.381 3.008 1.00 1.91 H new ATOM 1959 N PRO A 131 3.628 -14.977 3.048 1.00 1.73 N ATOM 1960 CA PRO A 131 4.772 -14.087 3.174 1.00 1.60 C ATOM 1961 C PRO A 131 5.995 -14.797 3.741 1.00 1.59 C ATOM 1962 O PRO A 131 7.118 -14.516 3.334 1.00 1.45 O ATOM 1963 CB PRO A 131 4.312 -12.955 4.094 1.00 1.71 C ATOM 1964 CG PRO A 131 3.155 -13.561 4.887 1.00 1.92 C ATOM 1965 CD PRO A 131 2.522 -14.506 3.867 1.00 1.90 C ATOM 0 HA PRO A 131 5.085 -13.716 2.198 1.00 1.60 H new ATOM 0 HB2 PRO A 131 5.116 -12.625 4.752 1.00 1.71 H new ATOM 0 HB3 PRO A 131 3.990 -12.084 3.523 1.00 1.71 H new ATOM 0 HG2 PRO A 131 3.503 -14.093 5.773 1.00 1.92 H new ATOM 0 HG3 PRO A 131 2.453 -12.800 5.227 1.00 1.92 H new ATOM 0 HD2 PRO A 131 2.015 -15.336 4.360 1.00 1.90 H new ATOM 0 HD3 PRO A 131 1.776 -13.991 3.263 1.00 1.90 H new ATOM 1973 N ARG A 132 5.794 -15.723 4.679 1.00 1.75 N ATOM 1974 CA ARG A 132 6.861 -16.458 5.292 1.00 1.74 C ATOM 1975 C ARG A 132 7.644 -17.240 4.229 1.00 1.65 C ATOM 1976 O ARG A 132 8.861 -17.360 4.352 1.00 1.58 O ATOM 1977 CB ARG A 132 6.269 -17.282 6.452 1.00 1.84 C ATOM 1978 CG ARG A 132 7.003 -18.603 6.598 1.00 2.85 C ATOM 1979 CD ARG A 132 6.892 -19.249 7.982 1.00 3.83 C ATOM 1980 NE ARG A 132 5.533 -19.736 8.275 1.00 4.66 N ATOM 1981 CZ ARG A 132 5.192 -20.985 8.646 1.00 5.55 C ATOM 1982 NH1 ARG A 132 6.070 -21.993 8.572 1.00 6.17 N ATOM 1983 NH2 ARG A 132 3.956 -21.223 9.101 1.00 6.47 N ATOM 0 H ARG A 132 4.869 -15.975 5.027 1.00 1.75 H new ATOM 0 HA ARG A 132 7.614 -15.810 5.740 1.00 1.74 H new ATOM 0 HB2 ARG A 132 6.340 -16.716 7.381 1.00 1.84 H new ATOM 0 HB3 ARG A 132 5.210 -17.466 6.271 1.00 1.84 H new ATOM 0 HG2 ARG A 132 6.618 -19.301 5.855 1.00 2.85 H new ATOM 0 HG3 ARG A 132 8.057 -18.444 6.370 1.00 2.85 H new ATOM 0 HD2 ARG A 132 7.593 -20.081 8.047 1.00 3.83 H new ATOM 0 HD3 ARG A 132 7.185 -18.524 8.741 1.00 3.83 H new ATOM 0 HE ARG A 132 4.774 -19.060 8.188 1.00 4.66 H new ATOM 0 HH11 ARG A 132 7.016 -21.822 8.230 1.00 6.17 H new ATOM 0 HH12 ARG A 132 5.793 -22.932 8.858 1.00 6.17 H new ATOM 0 HH21 ARG A 132 3.281 -20.461 9.165 1.00 6.47 H new ATOM 0 HH22 ARG A 132 3.690 -22.166 9.384 1.00 6.47 H new ATOM 1997 N ASP A 133 6.986 -17.764 3.188 1.00 1.68 N ATOM 1998 CA ASP A 133 7.721 -18.490 2.165 1.00 1.60 C ATOM 1999 C ASP A 133 8.626 -17.524 1.400 1.00 1.41 C ATOM 2000 O ASP A 133 9.800 -17.802 1.179 1.00 1.37 O ATOM 2001 CB ASP A 133 6.760 -19.218 1.232 1.00 1.68 C ATOM 2002 CG ASP A 133 7.558 -20.134 0.316 1.00 2.30 C ATOM 2003 OD1 ASP A 133 7.911 -21.234 0.796 1.00 3.30 O ATOM 2004 OD2 ASP A 133 7.815 -19.708 -0.828 1.00 3.26 O ATOM 0 H ASP A 133 5.979 -17.699 3.040 1.00 1.68 H new ATOM 0 HA ASP A 133 8.349 -19.245 2.637 1.00 1.60 H new ATOM 0 HB2 ASP A 133 6.040 -19.798 1.810 1.00 1.68 H new ATOM 0 HB3 ASP A 133 6.190 -18.499 0.643 1.00 1.68 H new ATOM 2009 N ILE A 134 8.098 -16.345 1.060 1.00 1.34 N ATOM 2010 CA ILE A 134 8.872 -15.301 0.406 1.00 1.19 C ATOM 2011 C ILE A 134 10.073 -14.932 1.282 1.00 1.12 C ATOM 2012 O ILE A 134 11.201 -14.864 0.793 1.00 1.00 O ATOM 2013 CB ILE A 134 7.976 -14.089 0.087 1.00 1.20 C ATOM 2014 CG1 ILE A 134 6.851 -14.512 -0.879 1.00 1.34 C ATOM 2015 CG2 ILE A 134 8.827 -12.959 -0.505 1.00 1.04 C ATOM 2016 CD1 ILE A 134 5.896 -13.369 -1.233 1.00 1.15 C ATOM 0 H ILE A 134 7.125 -16.093 1.232 1.00 1.34 H new ATOM 0 HA ILE A 134 9.257 -15.664 -0.547 1.00 1.19 H new ATOM 0 HB ILE A 134 7.513 -13.721 1.003 1.00 1.20 H new ATOM 0 HG12 ILE A 134 7.295 -14.902 -1.795 1.00 1.34 H new ATOM 0 HG13 ILE A 134 6.282 -15.326 -0.429 1.00 1.34 H new ATOM 0 HG21 ILE A 134 8.190 -12.103 -0.730 1.00 1.04 H new ATOM 0 HG22 ILE A 134 9.591 -12.664 0.214 1.00 1.04 H new ATOM 0 HG23 ILE A 134 9.305 -13.305 -1.421 1.00 1.04 H new ATOM 0 HD11 ILE A 134 5.129 -13.734 -1.916 1.00 1.15 H new ATOM 0 HD12 ILE A 134 5.425 -12.994 -0.324 1.00 1.15 H new ATOM 0 HD13 ILE A 134 6.454 -12.564 -1.711 1.00 1.15 H new ATOM 2028 N ILE A 135 9.828 -14.706 2.577 1.00 1.23 N ATOM 2029 CA ILE A 135 10.875 -14.460 3.557 1.00 1.21 C ATOM 2030 C ILE A 135 11.923 -15.570 3.449 1.00 1.20 C ATOM 2031 O ILE A 135 13.056 -15.278 3.090 1.00 1.08 O ATOM 2032 CB ILE A 135 10.276 -14.272 4.964 1.00 1.41 C ATOM 2033 CG1 ILE A 135 9.587 -12.894 5.022 1.00 1.24 C ATOM 2034 CG2 ILE A 135 11.343 -14.381 6.062 1.00 2.15 C ATOM 2035 CD1 ILE A 135 8.645 -12.725 6.218 1.00 1.39 C ATOM 0 H ILE A 135 8.887 -14.690 2.971 1.00 1.23 H new ATOM 0 HA ILE A 135 11.390 -13.521 3.351 1.00 1.21 H new ATOM 0 HB ILE A 135 9.553 -15.067 5.146 1.00 1.41 H new ATOM 0 HG12 ILE A 135 10.351 -12.117 5.060 1.00 1.24 H new ATOM 0 HG13 ILE A 135 9.023 -12.741 4.102 1.00 1.24 H new ATOM 0 HG21 ILE A 135 10.877 -14.242 7.037 1.00 2.15 H new ATOM 0 HG22 ILE A 135 11.810 -15.365 6.020 1.00 2.15 H new ATOM 0 HG23 ILE A 135 12.101 -13.613 5.910 1.00 2.15 H new ATOM 0 HD11 ILE A 135 8.198 -11.731 6.191 1.00 1.39 H new ATOM 0 HD12 ILE A 135 7.859 -13.478 6.171 1.00 1.39 H new ATOM 0 HD13 ILE A 135 9.207 -12.845 7.144 1.00 1.39 H new ATOM 2047 N LYS A 136 11.553 -16.834 3.671 1.00 1.37 N ATOM 2048 CA LYS A 136 12.420 -17.978 3.533 1.00 1.44 C ATOM 2049 C LYS A 136 13.264 -17.920 2.254 1.00 1.29 C ATOM 2050 O LYS A 136 14.486 -18.050 2.308 1.00 1.31 O ATOM 2051 CB LYS A 136 11.540 -19.231 3.581 1.00 1.64 C ATOM 2052 CG LYS A 136 12.420 -20.393 3.993 1.00 2.54 C ATOM 2053 CD LYS A 136 11.756 -21.732 3.655 1.00 2.39 C ATOM 2054 CE LYS A 136 12.785 -22.866 3.755 1.00 3.91 C ATOM 2055 NZ LYS A 136 12.227 -24.152 3.293 1.00 4.58 N ATOM 0 H LYS A 136 10.607 -17.084 3.961 1.00 1.37 H new ATOM 0 HA LYS A 136 13.142 -17.993 4.349 1.00 1.44 H new ATOM 0 HB2 LYS A 136 10.723 -19.099 4.291 1.00 1.64 H new ATOM 0 HB3 LYS A 136 11.088 -19.419 2.607 1.00 1.64 H new ATOM 0 HG2 LYS A 136 13.383 -20.322 3.486 1.00 2.54 H new ATOM 0 HG3 LYS A 136 12.619 -20.342 5.064 1.00 2.54 H new ATOM 0 HD2 LYS A 136 10.928 -21.920 4.338 1.00 2.39 H new ATOM 0 HD3 LYS A 136 11.338 -21.697 2.649 1.00 2.39 H new ATOM 0 HE2 LYS A 136 13.662 -22.615 3.159 1.00 3.91 H new ATOM 0 HE3 LYS A 136 13.119 -22.964 4.788 1.00 3.91 H new ATOM 0 HZ1 LYS A 136 12.951 -24.894 3.375 1.00 4.58 H new ATOM 0 HZ2 LYS A 136 11.405 -24.404 3.878 1.00 4.58 H new ATOM 0 HZ3 LYS A 136 11.931 -24.065 2.300 1.00 4.58 H new ATOM 2069 N ILE A 137 12.618 -17.727 1.103 1.00 1.18 N ATOM 2070 CA ILE A 137 13.303 -17.607 -0.175 1.00 1.10 C ATOM 2071 C ILE A 137 14.402 -16.542 -0.062 1.00 0.98 C ATOM 2072 O ILE A 137 15.563 -16.825 -0.351 1.00 1.04 O ATOM 2073 CB ILE A 137 12.283 -17.328 -1.300 1.00 1.06 C ATOM 2074 CG1 ILE A 137 11.347 -18.531 -1.545 1.00 1.27 C ATOM 2075 CG2 ILE A 137 12.957 -16.889 -2.605 1.00 1.05 C ATOM 2076 CD1 ILE A 137 11.932 -19.627 -2.442 1.00 2.28 C ATOM 0 H ILE A 137 11.603 -17.650 1.036 1.00 1.18 H new ATOM 0 HA ILE A 137 13.794 -18.544 -0.439 1.00 1.10 H new ATOM 0 HB ILE A 137 11.672 -16.495 -0.952 1.00 1.06 H new ATOM 0 HG12 ILE A 137 11.084 -18.970 -0.583 1.00 1.27 H new ATOM 0 HG13 ILE A 137 10.422 -18.169 -1.994 1.00 1.27 H new ATOM 0 HG21 ILE A 137 12.196 -16.705 -3.364 1.00 1.05 H new ATOM 0 HG22 ILE A 137 13.525 -15.975 -2.432 1.00 1.05 H new ATOM 0 HG23 ILE A 137 13.630 -17.674 -2.949 1.00 1.05 H new ATOM 0 HD11 ILE A 137 11.204 -20.430 -2.557 1.00 2.28 H new ATOM 0 HD12 ILE A 137 12.169 -19.209 -3.420 1.00 2.28 H new ATOM 0 HD13 ILE A 137 12.840 -20.023 -1.987 1.00 2.28 H new ATOM 2088 N ILE A 138 14.077 -15.323 0.382 1.00 0.86 N ATOM 2089 CA ILE A 138 15.106 -14.289 0.483 1.00 0.81 C ATOM 2090 C ILE A 138 16.128 -14.532 1.600 1.00 0.91 C ATOM 2091 O ILE A 138 17.270 -14.098 1.466 1.00 0.95 O ATOM 2092 CB ILE A 138 14.545 -12.861 0.446 1.00 0.73 C ATOM 2093 CG1 ILE A 138 13.582 -12.473 1.572 1.00 0.80 C ATOM 2094 CG2 ILE A 138 13.835 -12.617 -0.894 1.00 0.74 C ATOM 2095 CD1 ILE A 138 14.234 -12.168 2.920 1.00 1.33 C ATOM 0 H ILE A 138 13.141 -15.036 0.668 1.00 0.86 H new ATOM 0 HA ILE A 138 15.687 -14.383 -0.434 1.00 0.81 H new ATOM 0 HB ILE A 138 15.425 -12.232 0.583 1.00 0.73 H new ATOM 0 HG12 ILE A 138 13.015 -11.597 1.256 1.00 0.80 H new ATOM 0 HG13 ILE A 138 12.866 -13.283 1.710 1.00 0.80 H new ATOM 0 HG21 ILE A 138 13.438 -11.602 -0.916 1.00 0.74 H new ATOM 0 HG22 ILE A 138 14.545 -12.747 -1.711 1.00 0.74 H new ATOM 0 HG23 ILE A 138 13.017 -13.329 -1.007 1.00 0.74 H new ATOM 0 HD11 ILE A 138 13.464 -11.905 3.645 1.00 1.33 H new ATOM 0 HD12 ILE A 138 14.776 -13.047 3.269 1.00 1.33 H new ATOM 0 HD13 ILE A 138 14.927 -11.334 2.808 1.00 1.33 H new ATOM 2107 N GLU A 139 15.770 -15.244 2.669 1.00 1.02 N ATOM 2108 CA GLU A 139 16.719 -15.700 3.682 1.00 1.14 C ATOM 2109 C GLU A 139 17.727 -16.656 3.041 1.00 1.21 C ATOM 2110 O GLU A 139 18.910 -16.621 3.367 1.00 1.22 O ATOM 2111 CB GLU A 139 16.009 -16.404 4.851 1.00 1.25 C ATOM 2112 CG GLU A 139 15.132 -15.473 5.699 1.00 1.29 C ATOM 2113 CD GLU A 139 14.492 -16.214 6.869 1.00 2.24 C ATOM 2114 OE1 GLU A 139 13.914 -17.293 6.616 1.00 2.64 O ATOM 2115 OE2 GLU A 139 14.586 -15.686 7.997 1.00 3.35 O ATOM 0 H GLU A 139 14.807 -15.522 2.856 1.00 1.02 H new ATOM 0 HA GLU A 139 17.232 -14.826 4.082 1.00 1.14 H new ATOM 0 HB2 GLU A 139 15.390 -17.209 4.455 1.00 1.25 H new ATOM 0 HB3 GLU A 139 16.759 -16.865 5.494 1.00 1.25 H new ATOM 0 HG2 GLU A 139 15.736 -14.648 6.077 1.00 1.29 H new ATOM 0 HG3 GLU A 139 14.353 -15.037 5.074 1.00 1.29 H new ATOM 2122 N GLU A 140 17.258 -17.499 2.117 1.00 1.29 N ATOM 2123 CA GLU A 140 18.088 -18.463 1.411 1.00 1.44 C ATOM 2124 C GLU A 140 19.121 -17.709 0.567 1.00 1.36 C ATOM 2125 O GLU A 140 20.269 -18.131 0.455 1.00 1.44 O ATOM 2126 CB GLU A 140 17.184 -19.397 0.588 1.00 1.70 C ATOM 2127 CG GLU A 140 17.818 -20.757 0.280 1.00 2.47 C ATOM 2128 CD GLU A 140 16.794 -21.683 -0.367 1.00 3.42 C ATOM 2129 OE1 GLU A 140 16.041 -22.323 0.401 1.00 5.06 O ATOM 2130 OE2 GLU A 140 16.765 -21.713 -1.616 1.00 3.06 O ATOM 0 H GLU A 140 16.277 -17.527 1.839 1.00 1.29 H new ATOM 0 HA GLU A 140 18.646 -19.094 2.103 1.00 1.44 H new ATOM 0 HB2 GLU A 140 16.252 -19.556 1.130 1.00 1.70 H new ATOM 0 HB3 GLU A 140 16.927 -18.905 -0.350 1.00 1.70 H new ATOM 0 HG2 GLU A 140 18.671 -20.626 -0.385 1.00 2.47 H new ATOM 0 HG3 GLU A 140 18.196 -21.206 1.198 1.00 2.47 H new ATOM 2137 N ILE A 141 18.723 -16.559 0.008 1.00 1.24 N ATOM 2138 CA ILE A 141 19.659 -15.649 -0.641 1.00 1.22 C ATOM 2139 C ILE A 141 20.588 -15.019 0.402 1.00 1.20 C ATOM 2140 O ILE A 141 21.802 -14.967 0.212 1.00 1.30 O ATOM 2141 CB ILE A 141 18.918 -14.547 -1.423 1.00 1.11 C ATOM 2142 CG1 ILE A 141 17.860 -15.117 -2.376 1.00 1.00 C ATOM 2143 CG2 ILE A 141 19.957 -13.754 -2.218 1.00 1.22 C ATOM 2144 CD1 ILE A 141 17.001 -14.025 -3.024 1.00 1.08 C ATOM 0 H ILE A 141 17.754 -16.241 -0.005 1.00 1.24 H new ATOM 0 HA ILE A 141 20.252 -16.225 -1.351 1.00 1.22 H new ATOM 0 HB ILE A 141 18.391 -13.910 -0.713 1.00 1.11 H new ATOM 0 HG12 ILE A 141 18.354 -15.697 -3.156 1.00 1.00 H new ATOM 0 HG13 ILE A 141 17.215 -15.804 -1.828 1.00 1.00 H new ATOM 0 HG21 ILE A 141 19.459 -12.966 -2.782 1.00 1.22 H new ATOM 0 HG22 ILE A 141 20.678 -13.309 -1.532 1.00 1.22 H new ATOM 0 HG23 ILE A 141 20.475 -14.421 -2.907 1.00 1.22 H new ATOM 0 HD11 ILE A 141 16.269 -14.484 -3.689 1.00 1.08 H new ATOM 0 HD12 ILE A 141 16.483 -13.461 -2.248 1.00 1.08 H new ATOM 0 HD13 ILE A 141 17.639 -13.352 -3.597 1.00 1.08 H new ATOM 2156 N GLY A 142 19.992 -14.497 1.475 1.00 1.09 N ATOM 2157 CA GLY A 142 20.654 -13.797 2.562 1.00 1.08 C ATOM 2158 C GLY A 142 20.245 -12.324 2.645 1.00 1.02 C ATOM 2159 O GLY A 142 21.047 -11.507 3.094 1.00 1.12 O ATOM 0 H GLY A 142 18.983 -14.557 1.610 1.00 1.09 H new ATOM 0 HA2 GLY A 142 20.418 -14.290 3.505 1.00 1.08 H new ATOM 0 HA3 GLY A 142 21.734 -13.864 2.429 1.00 1.08 H new ATOM 2163 N PHE A 143 19.013 -11.969 2.250 1.00 0.87 N ATOM 2164 CA PHE A 143 18.450 -10.650 2.558 1.00 0.74 C ATOM 2165 C PHE A 143 17.466 -10.767 3.725 1.00 0.69 C ATOM 2166 O PHE A 143 17.231 -11.866 4.223 1.00 0.80 O ATOM 2167 CB PHE A 143 17.789 -10.047 1.311 1.00 0.70 C ATOM 2168 CG PHE A 143 18.692 -9.965 0.095 1.00 0.82 C ATOM 2169 CD1 PHE A 143 19.946 -9.333 0.189 1.00 1.79 C ATOM 2170 CD2 PHE A 143 18.283 -10.522 -1.131 1.00 1.93 C ATOM 2171 CE1 PHE A 143 20.812 -9.314 -0.917 1.00 1.82 C ATOM 2172 CE2 PHE A 143 19.124 -10.445 -2.254 1.00 2.10 C ATOM 2173 CZ PHE A 143 20.407 -9.887 -2.134 1.00 1.21 C ATOM 0 H PHE A 143 18.390 -12.577 1.718 1.00 0.87 H new ATOM 0 HA PHE A 143 19.250 -9.974 2.860 1.00 0.74 H new ATOM 0 HB2 PHE A 143 16.912 -10.643 1.057 1.00 0.70 H new ATOM 0 HB3 PHE A 143 17.435 -9.045 1.552 1.00 0.70 H new ATOM 0 HD1 PHE A 143 20.243 -8.861 1.114 1.00 1.79 H new ATOM 0 HD2 PHE A 143 17.322 -11.009 -1.209 1.00 1.93 H new ATOM 0 HE1 PHE A 143 21.788 -8.859 -0.832 1.00 1.82 H new ATOM 0 HE2 PHE A 143 18.784 -10.815 -3.210 1.00 2.10 H new ATOM 0 HZ PHE A 143 21.082 -9.898 -2.977 1.00 1.21 H new ATOM 2183 N HIS A 144 16.872 -9.645 4.150 1.00 0.65 N ATOM 2184 CA HIS A 144 15.857 -9.626 5.201 1.00 0.72 C ATOM 2185 C HIS A 144 14.698 -8.766 4.720 1.00 0.70 C ATOM 2186 O HIS A 144 14.907 -7.582 4.471 1.00 0.72 O ATOM 2187 CB HIS A 144 16.427 -9.025 6.493 1.00 0.85 C ATOM 2188 CG HIS A 144 17.314 -9.944 7.290 1.00 1.90 C ATOM 2189 ND1 HIS A 144 18.520 -9.597 7.857 1.00 3.21 N ATOM 2190 CD2 HIS A 144 16.964 -11.173 7.787 1.00 3.38 C ATOM 2191 CE1 HIS A 144 18.893 -10.604 8.666 1.00 4.16 C ATOM 2192 NE2 HIS A 144 17.976 -11.583 8.660 1.00 4.41 N ATOM 0 H HIS A 144 17.086 -8.723 3.770 1.00 0.65 H new ATOM 0 HA HIS A 144 15.529 -10.644 5.410 1.00 0.72 H new ATOM 0 HB2 HIS A 144 16.994 -8.129 6.239 1.00 0.85 H new ATOM 0 HB3 HIS A 144 15.597 -8.709 7.125 1.00 0.85 H new ATOM 0 HD2 HIS A 144 16.067 -11.725 7.547 1.00 3.38 H new ATOM 0 HE1 HIS A 144 19.806 -10.622 9.242 1.00 4.16 H new ATOM 0 HE2 HIS A 144 18.010 -12.455 9.188 1.00 4.41 H new ATOM 2200 N ALA A 145 13.505 -9.353 4.581 1.00 0.77 N ATOM 2201 CA ALA A 145 12.303 -8.679 4.114 1.00 0.84 C ATOM 2202 C ALA A 145 11.344 -8.465 5.283 1.00 1.03 C ATOM 2203 O ALA A 145 10.623 -9.383 5.668 1.00 1.20 O ATOM 2204 CB ALA A 145 11.639 -9.498 3.010 1.00 0.87 C ATOM 0 H ALA A 145 13.351 -10.338 4.798 1.00 0.77 H new ATOM 0 HA ALA A 145 12.571 -7.706 3.703 1.00 0.84 H new ATOM 0 HB1 ALA A 145 10.740 -8.985 2.667 1.00 0.87 H new ATOM 0 HB2 ALA A 145 12.331 -9.614 2.176 1.00 0.87 H new ATOM 0 HB3 ALA A 145 11.371 -10.481 3.397 1.00 0.87 H new ATOM 2210 N SER A 146 11.329 -7.252 5.832 1.00 1.06 N ATOM 2211 CA SER A 146 10.500 -6.879 6.966 1.00 1.23 C ATOM 2212 C SER A 146 9.404 -5.936 6.478 1.00 1.34 C ATOM 2213 O SER A 146 9.728 -4.826 6.070 1.00 1.37 O ATOM 2214 CB SER A 146 11.382 -6.188 8.012 1.00 1.37 C ATOM 2215 OG SER A 146 12.436 -7.054 8.392 1.00 2.31 O ATOM 0 H SER A 146 11.909 -6.486 5.489 1.00 1.06 H new ATOM 0 HA SER A 146 10.038 -7.757 7.417 1.00 1.23 H new ATOM 0 HB2 SER A 146 11.788 -5.262 7.605 1.00 1.37 H new ATOM 0 HB3 SER A 146 10.786 -5.919 8.884 1.00 1.37 H new ATOM 0 HG SER A 146 13.000 -6.610 9.059 1.00 2.31 H new ATOM 2221 N LEU A 147 8.139 -6.374 6.509 1.00 1.67 N ATOM 2222 CA LEU A 147 6.936 -5.566 6.324 1.00 1.93 C ATOM 2223 C LEU A 147 7.155 -4.171 6.877 1.00 1.79 C ATOM 2224 O LEU A 147 7.242 -3.977 8.088 1.00 2.19 O ATOM 2225 CB LEU A 147 5.708 -6.222 6.963 1.00 2.80 C ATOM 2226 CG LEU A 147 5.943 -6.677 8.413 1.00 3.61 C ATOM 2227 CD1 LEU A 147 4.901 -6.069 9.355 1.00 4.16 C ATOM 2228 CD2 LEU A 147 5.858 -8.198 8.460 1.00 4.43 C ATOM 0 H LEU A 147 7.920 -7.357 6.673 1.00 1.67 H new ATOM 0 HA LEU A 147 6.740 -5.494 5.254 1.00 1.93 H new ATOM 0 HB2 LEU A 147 4.877 -5.517 6.941 1.00 2.80 H new ATOM 0 HB3 LEU A 147 5.412 -7.083 6.363 1.00 2.80 H new ATOM 0 HG LEU A 147 6.926 -6.340 8.741 1.00 3.61 H new ATOM 0 HD11 LEU A 147 5.090 -6.407 10.374 1.00 4.16 H new ATOM 0 HD12 LEU A 147 4.965 -4.982 9.316 1.00 4.16 H new ATOM 0 HD13 LEU A 147 3.904 -6.385 9.047 1.00 4.16 H new ATOM 0 HD21 LEU A 147 6.022 -8.540 9.482 1.00 4.43 H new ATOM 0 HD22 LEU A 147 4.871 -8.518 8.124 1.00 4.43 H new ATOM 0 HD23 LEU A 147 6.619 -8.625 7.807 1.00 4.43 H new ATOM 2240 N ALA A 148 7.324 -3.221 5.969 1.00 1.76 N ATOM 2241 CA ALA A 148 7.726 -1.886 6.365 1.00 2.20 C ATOM 2242 C ALA A 148 6.575 -1.176 7.089 1.00 2.45 C ATOM 2243 O ALA A 148 6.821 -0.466 8.061 1.00 3.37 O ATOM 2244 CB ALA A 148 8.253 -1.168 5.134 1.00 3.06 C ATOM 0 H ALA A 148 7.190 -3.350 4.966 1.00 1.76 H new ATOM 0 HA ALA A 148 8.537 -1.903 7.093 1.00 2.20 H new ATOM 0 HB1 ALA A 148 8.563 -0.159 5.406 1.00 3.06 H new ATOM 0 HB2 ALA A 148 9.107 -1.714 4.732 1.00 3.06 H new ATOM 0 HB3 ALA A 148 7.468 -1.116 4.379 1.00 3.06 H new ATOM 2250 N GLN A 149 5.346 -1.465 6.646 1.00 2.77 N ATOM 2251 CA GLN A 149 4.065 -1.127 7.257 1.00 3.60 C ATOM 2252 C GLN A 149 4.017 0.262 7.918 1.00 4.78 C ATOM 2253 O GLN A 149 4.122 1.255 7.168 1.00 5.82 O ATOM 2254 CB GLN A 149 3.668 -2.261 8.214 1.00 4.00 C ATOM 2255 CG GLN A 149 2.168 -2.208 8.538 1.00 4.49 C ATOM 2256 CD GLN A 149 1.716 -3.191 9.615 1.00 4.78 C ATOM 2257 OE1 GLN A 149 0.518 -3.293 9.873 1.00 5.74 O ATOM 2258 NE2 GLN A 149 2.621 -3.894 10.285 1.00 4.66 N ATOM 2259 OXT GLN A 149 3.800 0.316 9.151 1.00 5.33 O ATOM 0 H GLN A 149 5.217 -1.985 5.778 1.00 2.77 H new ATOM 0 HA GLN A 149 3.326 -1.042 6.461 1.00 3.60 H new ATOM 0 HB2 GLN A 149 3.913 -3.223 7.765 1.00 4.00 H new ATOM 0 HB3 GLN A 149 4.246 -2.183 9.135 1.00 4.00 H new ATOM 0 HG2 GLN A 149 1.914 -1.197 8.857 1.00 4.49 H new ATOM 0 HG3 GLN A 149 1.605 -2.405 7.625 1.00 4.49 H new ATOM 0 HE21 GLN A 149 3.611 -3.798 10.059 1.00 4.66 H new ATOM 0 HE22 GLN A 149 2.326 -4.530 11.026 1.00 4.66 H new TER 2268 GLN A 149