USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1052 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 97 ASN : amide:sc= 0.905 K(o=2.2,f=-9.5!) USER MOD Set 1.2: A 98 LYS NZ :NH3+ 169:sc= 1.29 (180deg=0) USER MOD Set 2.1: A 90 ASN : amide:sc= 0.925 K(o=3.3,f=-12!) USER MOD Set 2.2: A 94 LYS NZ :NH3+ 169:sc= 2.37 (180deg=1.02) USER MOD Set 3.1: A 88 CYS SG : rot -117:sc= 1.36 USER MOD Set 3.2: A 137 TYR OH : rot -50:sc= 0.802 USER MOD Set 4.1: A 10 MET CE :methyl 177:sc= 0 (180deg=-0.0242) USER MOD Set 4.2: A 73 THR OG1 : rot -70:sc= -0.0632 USER MOD Set 5.1: A 6 LYS NZ :NH3+ -167:sc= 0.51 (180deg=-0.976) USER MOD Set 5.2: A 50 TYR OH : rot 0:sc= 0.74 USER MOD Set 6.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 45 THR OG1 : rot 57:sc= 1.2 USER MOD Set 7.1: A 40 ASN : amide:sc= 0.384 K(o=1.6,f=0.97) USER MOD Set 7.2: A 47 ASN : amide:sc= 1.21 K(o=1.6,f=0.97) USER MOD Set 8.1: A 5 GLN : amide:sc= 1.41 K(o=2,f=-3.2) USER MOD Set 8.2: A 35 THR OG1 : rot 151:sc= 0.607 USER MOD Set 9.1: A 16 THR OG1 : rot 95:sc= 1.48 USER MOD Set 9.2: A 20 CYS SG : rot -96:sc= 3.83 USER MOD Set 9.3: A 69 TYR OH : rot -53:sc= 0.829 USER MOD Single : A 11 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 13 SER OG : rot 76:sc= 0.919 USER MOD Single : A 15 MET CE :methyl 159:sc= -0.126 (180deg=-1.46) USER MOD Single : A 17 CYS SG : rot -16:sc= 0.18 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= 1.32 (180deg=1.15!) USER MOD Single : A 31 MET CE :methyl -166:sc= 0 (180deg=-0.135) USER MOD Single : A 38 ASN : amide:sc= -0.468! X(o=-0.47!,f=-0.21) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 170:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.202! X(o=-0.2!,f=-0.22) USER MOD Single : A 63 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0904) USER MOD Single : A 66 LYS NZ :NH3+ 177:sc= 1.01 (180deg=1.01) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 170:sc= -0.0183 (180deg=-0.169) USER MOD Single : A 83 MET CE :methyl 171:sc= -0.093 (180deg=-0.285) USER MOD Single : A 104 ASN : amide:sc= 0.885 K(o=0.89,f=-0.76) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.022 USER MOD Single : A 115 THR OG1 : rot -11:sc= 1.26 USER MOD Single : A 118 TYR OH : rot 110:sc= 0 USER MOD Single : A 119 ASN :FLIP amide:sc= -1.23 F(o=-1.9,f=-1.2) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc=-0.00235 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 147:sc= -0.389 (180deg=-0.612) USER MOD Single : A 134 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00934) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 163:sc= 1.19 (180deg=1.03) USER MOD Single : A 142 LYS NZ :NH3+ 132:sc= 1.18 (180deg=-1.22) USER MOD ----------------------------------------------------------------- ATOM 65 N GLN A 5 0.978 -15.266 4.776 1.00 0.93 N ATOM 66 CA GLN A 5 -0.044 -14.489 4.093 1.00 0.88 C ATOM 67 C GLN A 5 -0.138 -13.110 4.726 1.00 0.92 C ATOM 68 O GLN A 5 -0.054 -12.982 5.946 1.00 1.19 O ATOM 69 CB GLN A 5 -1.414 -15.190 4.142 1.00 1.00 C ATOM 70 CG GLN A 5 -1.381 -16.617 3.582 1.00 1.06 C ATOM 71 CD GLN A 5 -0.626 -16.657 2.259 1.00 0.93 C ATOM 72 OE1 GLN A 5 -0.901 -15.859 1.372 1.00 2.02 O ATOM 73 NE2 GLN A 5 0.379 -17.520 2.165 1.00 1.39 N ATOM 0 HA GLN A 5 0.240 -14.395 3.045 1.00 0.88 H new ATOM 0 HB2 GLN A 5 -1.764 -15.219 5.174 1.00 1.00 H new ATOM 0 HB3 GLN A 5 -2.137 -14.601 3.577 1.00 1.00 H new ATOM 0 HG2 GLN A 5 -0.903 -17.284 4.300 1.00 1.06 H new ATOM 0 HG3 GLN A 5 -2.398 -16.980 3.437 1.00 1.06 H new ATOM 0 HE21 GLN A 5 0.570 -18.166 2.931 1.00 1.39 H new ATOM 0 HE22 GLN A 5 0.960 -17.537 1.327 1.00 1.39 H new ATOM 82 N LYS A 6 -0.332 -12.089 3.892 1.00 0.78 N ATOM 83 CA LYS A 6 -0.633 -10.749 4.358 1.00 0.79 C ATOM 84 C LYS A 6 -2.072 -10.413 3.980 1.00 0.88 C ATOM 85 O LYS A 6 -2.696 -11.153 3.222 1.00 1.30 O ATOM 86 CB LYS A 6 0.357 -9.760 3.742 1.00 0.90 C ATOM 87 CG LYS A 6 0.159 -9.627 2.223 1.00 1.16 C ATOM 88 CD LYS A 6 0.238 -8.159 1.796 1.00 1.40 C ATOM 89 CE LYS A 6 1.639 -7.825 1.280 1.00 1.12 C ATOM 90 NZ LYS A 6 1.676 -6.481 0.681 1.00 1.92 N ATOM 0 H LYS A 6 -0.284 -12.174 2.877 1.00 0.78 H new ATOM 0 HA LYS A 6 -0.534 -10.686 5.442 1.00 0.79 H new ATOM 0 HB2 LYS A 6 0.236 -8.784 4.211 1.00 0.90 H new ATOM 0 HB3 LYS A 6 1.376 -10.089 3.949 1.00 0.90 H new ATOM 0 HG2 LYS A 6 0.920 -10.205 1.700 1.00 1.16 H new ATOM 0 HG3 LYS A 6 -0.808 -10.042 1.939 1.00 1.16 H new ATOM 0 HD2 LYS A 6 -0.499 -7.960 1.018 1.00 1.40 H new ATOM 0 HD3 LYS A 6 -0.008 -7.515 2.640 1.00 1.40 H new ATOM 0 HE2 LYS A 6 2.355 -7.881 2.100 1.00 1.12 H new ATOM 0 HE3 LYS A 6 1.943 -8.565 0.540 1.00 1.12 H new ATOM 0 HZ1 LYS A 6 2.561 -6.363 0.148 1.00 1.92 H new ATOM 0 HZ2 LYS A 6 0.867 -6.365 0.038 1.00 1.92 H new ATOM 0 HZ3 LYS A 6 1.627 -5.764 1.433 1.00 1.92 H new ATOM 104 N GLU A 7 -2.540 -9.247 4.414 1.00 0.66 N ATOM 105 CA GLU A 7 -3.784 -8.634 4.010 1.00 0.64 C ATOM 106 C GLU A 7 -3.408 -7.236 3.534 1.00 0.68 C ATOM 107 O GLU A 7 -2.480 -6.637 4.078 1.00 0.96 O ATOM 108 CB GLU A 7 -4.766 -8.641 5.191 1.00 0.77 C ATOM 109 CG GLU A 7 -4.239 -7.989 6.482 1.00 1.89 C ATOM 110 CD GLU A 7 -4.794 -8.689 7.717 1.00 2.25 C ATOM 111 OE1 GLU A 7 -6.035 -8.830 7.779 1.00 3.57 O ATOM 112 OE2 GLU A 7 -3.966 -9.105 8.556 1.00 2.61 O ATOM 0 H GLU A 7 -2.029 -8.681 5.092 1.00 0.66 H new ATOM 0 HA GLU A 7 -4.295 -9.166 3.208 1.00 0.64 H new ATOM 0 HB2 GLU A 7 -5.678 -8.126 4.888 1.00 0.77 H new ATOM 0 HB3 GLU A 7 -5.040 -9.673 5.409 1.00 0.77 H new ATOM 0 HG2 GLU A 7 -3.150 -8.030 6.495 1.00 1.89 H new ATOM 0 HG3 GLU A 7 -4.518 -6.936 6.501 1.00 1.89 H new ATOM 119 N ILE A 8 -4.055 -6.749 2.477 1.00 0.56 N ATOM 120 CA ILE A 8 -3.970 -5.359 2.071 1.00 0.56 C ATOM 121 C ILE A 8 -5.409 -4.853 1.977 1.00 0.51 C ATOM 122 O ILE A 8 -6.181 -5.363 1.167 1.00 0.53 O ATOM 123 CB ILE A 8 -3.133 -5.248 0.776 1.00 0.63 C ATOM 124 CG1 ILE A 8 -2.140 -4.082 0.845 1.00 0.93 C ATOM 125 CG2 ILE A 8 -3.943 -5.147 -0.519 1.00 1.12 C ATOM 126 CD1 ILE A 8 -0.918 -4.475 1.670 1.00 2.76 C ATOM 0 H ILE A 8 -4.655 -7.316 1.878 1.00 0.56 H new ATOM 0 HA ILE A 8 -3.444 -4.722 2.782 1.00 0.56 H new ATOM 0 HB ILE A 8 -2.601 -6.198 0.730 1.00 0.63 H new ATOM 0 HG12 ILE A 8 -1.832 -3.798 -0.161 1.00 0.93 H new ATOM 0 HG13 ILE A 8 -2.622 -3.211 1.289 1.00 0.93 H new ATOM 0 HG21 ILE A 8 -3.264 -5.073 -1.368 1.00 1.12 H new ATOM 0 HG22 ILE A 8 -4.566 -6.035 -0.629 1.00 1.12 H new ATOM 0 HG23 ILE A 8 -4.577 -4.261 -0.484 1.00 1.12 H new ATOM 0 HD11 ILE A 8 -0.222 -3.637 1.710 1.00 2.76 H new ATOM 0 HD12 ILE A 8 -1.230 -4.736 2.681 1.00 2.76 H new ATOM 0 HD13 ILE A 8 -0.428 -5.332 1.209 1.00 2.76 H new ATOM 138 N ALA A 9 -5.787 -3.908 2.843 1.00 0.55 N ATOM 139 CA ALA A 9 -7.078 -3.243 2.812 1.00 0.50 C ATOM 140 C ALA A 9 -6.853 -1.873 2.186 1.00 0.46 C ATOM 141 O ALA A 9 -6.041 -1.106 2.700 1.00 0.56 O ATOM 142 CB ALA A 9 -7.627 -3.129 4.237 1.00 0.52 C ATOM 0 H ALA A 9 -5.185 -3.582 3.599 1.00 0.55 H new ATOM 0 HA ALA A 9 -7.810 -3.800 2.228 1.00 0.50 H new ATOM 0 HB1 ALA A 9 -8.596 -2.630 4.215 1.00 0.52 H new ATOM 0 HB2 ALA A 9 -7.742 -4.126 4.664 1.00 0.52 H new ATOM 0 HB3 ALA A 9 -6.935 -2.550 4.848 1.00 0.52 H new ATOM 148 N MET A 10 -7.502 -1.592 1.053 1.00 0.39 N ATOM 149 CA MET A 10 -7.383 -0.321 0.342 1.00 0.40 C ATOM 150 C MET A 10 -8.758 0.057 -0.227 1.00 0.36 C ATOM 151 O MET A 10 -9.556 -0.833 -0.507 1.00 0.47 O ATOM 152 CB MET A 10 -6.341 -0.453 -0.783 1.00 0.50 C ATOM 153 CG MET A 10 -4.903 -0.625 -0.258 1.00 0.75 C ATOM 154 SD MET A 10 -3.648 -1.076 -1.484 1.00 1.66 S ATOM 155 CE MET A 10 -3.759 0.317 -2.623 1.00 1.68 C ATOM 0 H MET A 10 -8.133 -2.252 0.599 1.00 0.39 H new ATOM 0 HA MET A 10 -7.051 0.464 1.022 1.00 0.40 H new ATOM 0 HB2 MET A 10 -6.597 -1.308 -1.409 1.00 0.50 H new ATOM 0 HB3 MET A 10 -6.386 0.432 -1.418 1.00 0.50 H new ATOM 0 HG2 MET A 10 -4.598 0.308 0.216 1.00 0.75 H new ATOM 0 HG3 MET A 10 -4.912 -1.389 0.519 1.00 0.75 H new ATOM 0 HE1 MET A 10 -3.007 0.208 -3.405 1.00 1.68 H new ATOM 0 HE2 MET A 10 -4.751 0.340 -3.074 1.00 1.68 H new ATOM 0 HE3 MET A 10 -3.586 1.246 -2.080 1.00 1.68 H new ATOM 165 N GLN A 11 -9.056 1.344 -0.422 1.00 0.42 N ATOM 166 CA GLN A 11 -10.265 1.791 -1.110 1.00 0.39 C ATOM 167 C GLN A 11 -10.041 1.861 -2.624 1.00 0.38 C ATOM 168 O GLN A 11 -9.000 2.342 -3.079 1.00 0.48 O ATOM 169 CB GLN A 11 -10.735 3.146 -0.567 1.00 0.48 C ATOM 170 CG GLN A 11 -11.677 2.960 0.634 1.00 1.08 C ATOM 171 CD GLN A 11 -12.128 4.277 1.265 1.00 1.50 C ATOM 172 OE1 GLN A 11 -11.842 5.411 0.630 1.00 3.18 O flip ATOM 173 NE2 GLN A 11 -12.787 4.293 2.301 1.00 1.71 N flip ATOM 0 H GLN A 11 -8.460 2.108 -0.104 1.00 0.42 H new ATOM 0 HA GLN A 11 -11.049 1.058 -0.918 1.00 0.39 H new ATOM 0 HB2 GLN A 11 -9.872 3.742 -0.269 1.00 0.48 H new ATOM 0 HB3 GLN A 11 -11.248 3.699 -1.354 1.00 0.48 H new ATOM 0 HG2 GLN A 11 -12.556 2.400 0.313 1.00 1.08 H new ATOM 0 HG3 GLN A 11 -11.174 2.357 1.390 1.00 1.08 H new ATOM 0 HE21 GLN A 11 -13.002 3.420 2.782 1.00 1.71 H new ATOM 0 HE22 GLN A 11 -13.119 5.180 2.680 1.00 1.71 H new ATOM 182 N VAL A 12 -11.039 1.405 -3.389 1.00 0.34 N ATOM 183 CA VAL A 12 -11.060 1.343 -4.844 1.00 0.35 C ATOM 184 C VAL A 12 -12.215 2.196 -5.377 1.00 0.28 C ATOM 185 O VAL A 12 -13.213 2.367 -4.682 1.00 0.49 O ATOM 186 CB VAL A 12 -11.161 -0.129 -5.276 1.00 0.54 C ATOM 187 CG1 VAL A 12 -12.341 -0.851 -4.610 1.00 0.63 C ATOM 188 CG2 VAL A 12 -11.284 -0.277 -6.793 1.00 0.69 C ATOM 0 H VAL A 12 -11.902 1.050 -2.979 1.00 0.34 H new ATOM 0 HA VAL A 12 -10.142 1.751 -5.266 1.00 0.35 H new ATOM 0 HB VAL A 12 -10.231 -0.593 -4.947 1.00 0.54 H new ATOM 0 HG11 VAL A 12 -12.370 -1.887 -4.947 1.00 0.63 H new ATOM 0 HG12 VAL A 12 -12.219 -0.825 -3.527 1.00 0.63 H new ATOM 0 HG13 VAL A 12 -13.272 -0.354 -4.883 1.00 0.63 H new ATOM 0 HG21 VAL A 12 -11.352 -1.334 -7.051 1.00 0.69 H new ATOM 0 HG22 VAL A 12 -12.180 0.239 -7.138 1.00 0.69 H new ATOM 0 HG23 VAL A 12 -10.407 0.158 -7.273 1.00 0.69 H new ATOM 198 N SER A 13 -12.078 2.731 -6.596 1.00 0.30 N ATOM 199 CA SER A 13 -13.068 3.600 -7.222 1.00 0.43 C ATOM 200 C SER A 13 -13.773 2.910 -8.388 1.00 0.45 C ATOM 201 O SER A 13 -13.369 1.839 -8.835 1.00 0.59 O ATOM 202 CB SER A 13 -12.396 4.858 -7.769 1.00 0.67 C ATOM 203 OG SER A 13 -11.287 5.249 -6.987 1.00 1.08 O ATOM 0 H SER A 13 -11.259 2.566 -7.181 1.00 0.30 H new ATOM 0 HA SER A 13 -13.799 3.849 -6.452 1.00 0.43 H new ATOM 0 HB2 SER A 13 -12.071 4.679 -8.794 1.00 0.67 H new ATOM 0 HB3 SER A 13 -13.121 5.671 -7.802 1.00 0.67 H new ATOM 0 HG SER A 13 -10.529 4.658 -7.176 1.00 1.08 H new ATOM 209 N GLY A 14 -14.808 3.571 -8.919 1.00 0.65 N ATOM 210 CA GLY A 14 -15.547 3.112 -10.089 1.00 0.82 C ATOM 211 C GLY A 14 -16.402 1.884 -9.786 1.00 0.78 C ATOM 212 O GLY A 14 -17.004 1.309 -10.690 1.00 0.88 O ATOM 0 H GLY A 14 -15.156 4.451 -8.539 1.00 0.65 H new ATOM 0 HA2 GLY A 14 -16.186 3.917 -10.452 1.00 0.82 H new ATOM 0 HA3 GLY A 14 -14.846 2.876 -10.890 1.00 0.82 H new ATOM 216 N MET A 15 -16.455 1.474 -8.517 1.00 0.72 N ATOM 217 CA MET A 15 -17.112 0.238 -8.137 1.00 0.75 C ATOM 218 C MET A 15 -18.632 0.313 -8.324 1.00 0.73 C ATOM 219 O MET A 15 -19.320 1.090 -7.673 1.00 0.97 O ATOM 220 CB MET A 15 -16.737 -0.162 -6.704 1.00 0.80 C ATOM 221 CG MET A 15 -15.651 -1.244 -6.713 1.00 0.98 C ATOM 222 SD MET A 15 -15.414 -2.136 -5.163 1.00 1.46 S ATOM 223 CE MET A 15 -17.039 -2.888 -4.955 1.00 2.81 C ATOM 0 H MET A 15 -16.046 1.989 -7.737 1.00 0.72 H new ATOM 0 HA MET A 15 -16.754 -0.543 -8.808 1.00 0.75 H new ATOM 0 HB2 MET A 15 -16.383 0.712 -6.158 1.00 0.80 H new ATOM 0 HB3 MET A 15 -17.620 -0.529 -6.180 1.00 0.80 H new ATOM 0 HG2 MET A 15 -15.892 -1.967 -7.492 1.00 0.98 H new ATOM 0 HG3 MET A 15 -14.705 -0.779 -6.991 1.00 0.98 H new ATOM 0 HE1 MET A 15 -16.961 -3.742 -4.283 1.00 2.81 H new ATOM 0 HE2 MET A 15 -17.727 -2.156 -4.533 1.00 2.81 H new ATOM 0 HE3 MET A 15 -17.412 -3.221 -5.923 1.00 2.81 H new ATOM 233 N THR A 16 -19.154 -0.577 -9.171 1.00 0.84 N ATOM 234 CA THR A 16 -20.573 -0.825 -9.381 1.00 1.18 C ATOM 235 C THR A 16 -21.116 -1.818 -8.346 1.00 1.38 C ATOM 236 O THR A 16 -22.268 -2.233 -8.446 1.00 1.98 O ATOM 237 CB THR A 16 -20.785 -1.372 -10.804 1.00 1.49 C ATOM 238 OG1 THR A 16 -19.755 -0.939 -11.668 1.00 1.74 O ATOM 239 CG2 THR A 16 -22.132 -0.945 -11.392 1.00 1.65 C ATOM 0 H THR A 16 -18.566 -1.171 -9.755 1.00 0.84 H new ATOM 0 HA THR A 16 -21.117 0.112 -9.262 1.00 1.18 H new ATOM 0 HB THR A 16 -20.770 -2.459 -10.722 1.00 1.49 H new ATOM 0 HG1 THR A 16 -19.055 -1.624 -11.711 1.00 1.74 H new ATOM 0 HG21 THR A 16 -22.237 -1.355 -12.397 1.00 1.65 H new ATOM 0 HG22 THR A 16 -22.939 -1.319 -10.762 1.00 1.65 H new ATOM 0 HG23 THR A 16 -22.181 0.143 -11.437 1.00 1.65 H new ATOM 247 N CYS A 17 -20.269 -2.254 -7.402 1.00 1.30 N ATOM 248 CA CYS A 17 -20.653 -2.997 -6.205 1.00 1.71 C ATOM 249 C CYS A 17 -21.550 -4.196 -6.509 1.00 1.28 C ATOM 250 O CYS A 17 -22.516 -4.479 -5.805 1.00 2.48 O ATOM 251 CB CYS A 17 -21.207 -2.067 -5.119 1.00 2.90 C ATOM 252 SG CYS A 17 -22.866 -1.432 -5.462 1.00 3.18 S ATOM 0 H CYS A 17 -19.264 -2.090 -7.458 1.00 1.30 H new ATOM 0 HA CYS A 17 -19.744 -3.435 -5.793 1.00 1.71 H new ATOM 0 HB2 CYS A 17 -21.225 -2.604 -4.171 1.00 2.90 H new ATOM 0 HB3 CYS A 17 -20.526 -1.225 -4.996 1.00 2.90 H new ATOM 0 HG CYS A 17 -23.149 -1.613 -6.718 1.00 3.18 H new ATOM 258 N ALA A 18 -21.165 -4.919 -7.560 1.00 1.39 N ATOM 259 CA ALA A 18 -21.770 -6.154 -8.018 1.00 1.65 C ATOM 260 C ALA A 18 -20.811 -6.719 -9.062 1.00 1.51 C ATOM 261 O ALA A 18 -19.875 -7.440 -8.723 1.00 2.38 O ATOM 262 CB ALA A 18 -23.180 -5.888 -8.569 1.00 2.47 C ATOM 0 H ALA A 18 -20.377 -4.636 -8.143 1.00 1.39 H new ATOM 0 HA ALA A 18 -21.912 -6.878 -7.215 1.00 1.65 H new ATOM 0 HB1 ALA A 18 -23.621 -6.825 -8.909 1.00 2.47 H new ATOM 0 HB2 ALA A 18 -23.802 -5.458 -7.784 1.00 2.47 H new ATOM 0 HB3 ALA A 18 -23.118 -5.192 -9.405 1.00 2.47 H new ATOM 268 N ALA A 19 -20.976 -6.305 -10.321 1.00 1.44 N ATOM 269 CA ALA A 19 -20.114 -6.724 -11.416 1.00 1.49 C ATOM 270 C ALA A 19 -18.647 -6.394 -11.136 1.00 1.06 C ATOM 271 O ALA A 19 -17.776 -7.224 -11.384 1.00 0.98 O ATOM 272 CB ALA A 19 -20.579 -6.063 -12.717 1.00 2.02 C ATOM 0 H ALA A 19 -21.718 -5.665 -10.605 1.00 1.44 H new ATOM 0 HA ALA A 19 -20.187 -7.807 -11.516 1.00 1.49 H new ATOM 0 HB1 ALA A 19 -19.933 -6.378 -13.536 1.00 2.02 H new ATOM 0 HB2 ALA A 19 -21.606 -6.361 -12.930 1.00 2.02 H new ATOM 0 HB3 ALA A 19 -20.530 -4.979 -12.612 1.00 2.02 H new ATOM 278 N CYS A 20 -18.364 -5.190 -10.623 1.00 0.90 N ATOM 279 CA CYS A 20 -16.989 -4.754 -10.422 1.00 0.83 C ATOM 280 C CYS A 20 -16.341 -5.638 -9.374 1.00 0.57 C ATOM 281 O CYS A 20 -15.328 -6.272 -9.644 1.00 0.65 O ATOM 282 CB CYS A 20 -16.924 -3.293 -9.982 1.00 1.06 C ATOM 283 SG CYS A 20 -17.018 -2.189 -11.409 1.00 1.66 S ATOM 0 H CYS A 20 -19.069 -4.508 -10.343 1.00 0.90 H new ATOM 0 HA CYS A 20 -16.455 -4.838 -11.369 1.00 0.83 H new ATOM 0 HB2 CYS A 20 -17.743 -3.078 -9.296 1.00 1.06 H new ATOM 0 HB3 CYS A 20 -15.997 -3.113 -9.438 1.00 1.06 H new ATOM 0 HG CYS A 20 -15.818 -1.843 -11.770 1.00 1.66 H new ATOM 289 N ALA A 21 -16.950 -5.704 -8.186 1.00 0.54 N ATOM 290 CA ALA A 21 -16.496 -6.585 -7.121 1.00 0.81 C ATOM 291 C ALA A 21 -16.264 -7.990 -7.662 1.00 0.81 C ATOM 292 O ALA A 21 -15.167 -8.524 -7.534 1.00 0.91 O ATOM 293 CB ALA A 21 -17.518 -6.612 -5.980 1.00 1.13 C ATOM 0 H ALA A 21 -17.769 -5.147 -7.942 1.00 0.54 H new ATOM 0 HA ALA A 21 -15.553 -6.204 -6.730 1.00 0.81 H new ATOM 0 HB1 ALA A 21 -17.165 -7.275 -5.191 1.00 1.13 H new ATOM 0 HB2 ALA A 21 -17.643 -5.606 -5.580 1.00 1.13 H new ATOM 0 HB3 ALA A 21 -18.475 -6.974 -6.357 1.00 1.13 H new ATOM 299 N ALA A 22 -17.273 -8.566 -8.317 1.00 0.88 N ATOM 300 CA ALA A 22 -17.172 -9.917 -8.847 1.00 1.07 C ATOM 301 C ALA A 22 -15.972 -10.045 -9.788 1.00 0.80 C ATOM 302 O ALA A 22 -15.221 -11.018 -9.720 1.00 0.80 O ATOM 303 CB ALA A 22 -18.476 -10.297 -9.550 1.00 1.41 C ATOM 0 H ALA A 22 -18.170 -8.112 -8.491 1.00 0.88 H new ATOM 0 HA ALA A 22 -17.012 -10.610 -8.021 1.00 1.07 H new ATOM 0 HB1 ALA A 22 -18.395 -11.310 -9.945 1.00 1.41 H new ATOM 0 HB2 ALA A 22 -19.300 -10.250 -8.838 1.00 1.41 H new ATOM 0 HB3 ALA A 22 -18.664 -9.602 -10.369 1.00 1.41 H new ATOM 309 N ARG A 23 -15.783 -9.064 -10.673 1.00 0.67 N ATOM 310 CA ARG A 23 -14.714 -9.086 -11.649 1.00 0.66 C ATOM 311 C ARG A 23 -13.355 -8.943 -10.989 1.00 0.52 C ATOM 312 O ARG A 23 -12.426 -9.644 -11.384 1.00 0.57 O ATOM 313 CB ARG A 23 -14.917 -7.995 -12.706 1.00 0.77 C ATOM 314 CG ARG A 23 -15.760 -8.496 -13.880 1.00 0.89 C ATOM 315 CD ARG A 23 -15.048 -9.663 -14.588 1.00 0.90 C ATOM 316 NE ARG A 23 -15.258 -9.604 -16.044 1.00 1.03 N ATOM 317 CZ ARG A 23 -14.575 -10.316 -16.954 1.00 1.42 C ATOM 318 NH1 ARG A 23 -13.687 -11.231 -16.548 1.00 2.24 N ATOM 319 NH2 ARG A 23 -14.782 -10.114 -18.261 1.00 1.47 N ATOM 0 H ARG A 23 -16.373 -8.234 -10.726 1.00 0.67 H new ATOM 0 HA ARG A 23 -14.743 -10.056 -12.145 1.00 0.66 H new ATOM 0 HB2 ARG A 23 -15.403 -7.133 -12.250 1.00 0.77 H new ATOM 0 HB3 ARG A 23 -13.947 -7.658 -13.072 1.00 0.77 H new ATOM 0 HG2 ARG A 23 -16.737 -8.820 -13.523 1.00 0.89 H new ATOM 0 HG3 ARG A 23 -15.932 -7.684 -14.586 1.00 0.89 H new ATOM 0 HD2 ARG A 23 -13.981 -9.629 -14.369 1.00 0.90 H new ATOM 0 HD3 ARG A 23 -15.423 -10.611 -14.201 1.00 0.90 H new ATOM 0 HE ARG A 23 -15.980 -8.972 -16.389 1.00 1.03 H new ATOM 0 HH11 ARG A 23 -13.532 -11.384 -15.552 1.00 2.24 H new ATOM 0 HH12 ARG A 23 -13.165 -11.775 -17.235 1.00 2.24 H new ATOM 0 HH21 ARG A 23 -15.461 -9.417 -18.568 1.00 1.47 H new ATOM 0 HH22 ARG A 23 -14.261 -10.657 -18.950 1.00 1.47 H new ATOM 333 N ILE A 24 -13.216 -8.045 -10.014 1.00 0.44 N ATOM 334 CA ILE A 24 -11.955 -7.880 -9.331 1.00 0.47 C ATOM 335 C ILE A 24 -11.678 -9.166 -8.563 1.00 0.47 C ATOM 336 O ILE A 24 -10.643 -9.785 -8.771 1.00 0.54 O ATOM 337 CB ILE A 24 -11.979 -6.621 -8.451 1.00 0.51 C ATOM 338 CG1 ILE A 24 -12.118 -5.377 -9.349 1.00 0.61 C ATOM 339 CG2 ILE A 24 -10.699 -6.532 -7.626 1.00 0.67 C ATOM 340 CD1 ILE A 24 -12.219 -4.067 -8.565 1.00 0.69 C ATOM 0 H ILE A 24 -13.961 -7.430 -9.689 1.00 0.44 H new ATOM 0 HA ILE A 24 -11.135 -7.719 -10.031 1.00 0.47 H new ATOM 0 HB ILE A 24 -12.827 -6.672 -7.769 1.00 0.51 H new ATOM 0 HG12 ILE A 24 -11.260 -5.325 -10.019 1.00 0.61 H new ATOM 0 HG13 ILE A 24 -13.004 -5.487 -9.974 1.00 0.61 H new ATOM 0 HG21 ILE A 24 -10.727 -5.636 -7.006 1.00 0.67 H new ATOM 0 HG22 ILE A 24 -10.615 -7.412 -6.988 1.00 0.67 H new ATOM 0 HG23 ILE A 24 -9.839 -6.485 -8.293 1.00 0.67 H new ATOM 0 HD11 ILE A 24 -12.315 -3.233 -9.260 1.00 0.69 H new ATOM 0 HD12 ILE A 24 -13.093 -4.099 -7.914 1.00 0.69 H new ATOM 0 HD13 ILE A 24 -11.321 -3.934 -7.961 1.00 0.69 H new ATOM 352 N GLU A 25 -12.600 -9.612 -7.712 1.00 0.51 N ATOM 353 CA GLU A 25 -12.377 -10.801 -6.915 1.00 0.63 C ATOM 354 C GLU A 25 -12.024 -11.981 -7.823 1.00 0.60 C ATOM 355 O GLU A 25 -11.006 -12.626 -7.588 1.00 0.60 O ATOM 356 CB GLU A 25 -13.596 -11.089 -6.029 1.00 0.84 C ATOM 357 CG GLU A 25 -13.781 -10.014 -4.944 1.00 0.88 C ATOM 358 CD GLU A 25 -14.971 -10.304 -4.030 1.00 2.54 C ATOM 359 OE1 GLU A 25 -15.610 -11.355 -4.246 1.00 3.98 O ATOM 360 OE2 GLU A 25 -15.205 -9.472 -3.121 1.00 3.15 O ATOM 0 H GLU A 25 -13.504 -9.164 -7.562 1.00 0.51 H new ATOM 0 HA GLU A 25 -11.531 -10.638 -6.248 1.00 0.63 H new ATOM 0 HB2 GLU A 25 -14.492 -11.138 -6.648 1.00 0.84 H new ATOM 0 HB3 GLU A 25 -13.480 -12.065 -5.558 1.00 0.84 H new ATOM 0 HG2 GLU A 25 -12.874 -9.948 -4.344 1.00 0.88 H new ATOM 0 HG3 GLU A 25 -13.920 -9.043 -5.419 1.00 0.88 H new ATOM 367 N LYS A 26 -12.805 -12.250 -8.878 1.00 0.62 N ATOM 368 CA LYS A 26 -12.497 -13.339 -9.790 1.00 0.67 C ATOM 369 C LYS A 26 -11.132 -13.125 -10.459 1.00 0.60 C ATOM 370 O LYS A 26 -10.282 -14.017 -10.466 1.00 0.68 O ATOM 371 CB LYS A 26 -13.625 -13.560 -10.814 1.00 0.83 C ATOM 372 CG LYS A 26 -13.483 -14.987 -11.360 1.00 0.96 C ATOM 373 CD LYS A 26 -14.110 -15.227 -12.740 1.00 1.39 C ATOM 374 CE LYS A 26 -15.640 -15.347 -12.675 1.00 1.32 C ATOM 375 NZ LYS A 26 -16.222 -15.715 -13.984 1.00 2.04 N ATOM 0 H LYS A 26 -13.648 -11.727 -9.113 1.00 0.62 H new ATOM 0 HA LYS A 26 -12.429 -14.257 -9.207 1.00 0.67 H new ATOM 0 HB2 LYS A 26 -14.600 -13.425 -10.345 1.00 0.83 H new ATOM 0 HB3 LYS A 26 -13.556 -12.832 -11.622 1.00 0.83 H new ATOM 0 HG2 LYS A 26 -12.423 -15.234 -11.413 1.00 0.96 H new ATOM 0 HG3 LYS A 26 -13.936 -15.677 -10.648 1.00 0.96 H new ATOM 0 HD2 LYS A 26 -13.841 -14.407 -13.406 1.00 1.39 H new ATOM 0 HD3 LYS A 26 -13.695 -16.138 -13.171 1.00 1.39 H new ATOM 0 HE2 LYS A 26 -15.914 -16.097 -11.933 1.00 1.32 H new ATOM 0 HE3 LYS A 26 -16.064 -14.400 -12.343 1.00 1.32 H new ATOM 0 HZ1 LYS A 26 -17.256 -15.786 -13.897 1.00 2.04 H new ATOM 0 HZ2 LYS A 26 -15.983 -14.987 -14.687 1.00 2.04 H new ATOM 0 HZ3 LYS A 26 -15.837 -16.631 -14.290 1.00 2.04 H new ATOM 389 N GLY A 27 -10.929 -11.948 -11.051 1.00 0.55 N ATOM 390 CA GLY A 27 -9.722 -11.610 -11.786 1.00 0.56 C ATOM 391 C GLY A 27 -8.476 -11.792 -10.925 1.00 0.51 C ATOM 392 O GLY A 27 -7.478 -12.339 -11.386 1.00 0.57 O ATOM 0 H GLY A 27 -11.614 -11.193 -11.030 1.00 0.55 H new ATOM 0 HA2 GLY A 27 -9.647 -12.238 -12.674 1.00 0.56 H new ATOM 0 HA3 GLY A 27 -9.781 -10.577 -12.130 1.00 0.56 H new ATOM 396 N LEU A 28 -8.525 -11.322 -9.682 1.00 0.44 N ATOM 397 CA LEU A 28 -7.438 -11.452 -8.731 1.00 0.41 C ATOM 398 C LEU A 28 -7.309 -12.904 -8.256 1.00 0.45 C ATOM 399 O LEU A 28 -6.202 -13.428 -8.243 1.00 0.48 O ATOM 400 CB LEU A 28 -7.595 -10.429 -7.591 1.00 0.40 C ATOM 401 CG LEU A 28 -7.113 -8.998 -7.936 1.00 0.50 C ATOM 402 CD1 LEU A 28 -5.584 -8.937 -8.032 1.00 1.41 C ATOM 403 CD2 LEU A 28 -7.720 -8.393 -9.204 1.00 1.57 C ATOM 0 H LEU A 28 -9.337 -10.833 -9.306 1.00 0.44 H new ATOM 0 HA LEU A 28 -6.492 -11.214 -9.217 1.00 0.41 H new ATOM 0 HB2 LEU A 28 -8.645 -10.385 -7.303 1.00 0.40 H new ATOM 0 HB3 LEU A 28 -7.041 -10.785 -6.722 1.00 0.40 H new ATOM 0 HG LEU A 28 -7.473 -8.391 -7.105 1.00 0.50 H new ATOM 0 HD11 LEU A 28 -5.275 -7.920 -8.275 1.00 1.41 H new ATOM 0 HD12 LEU A 28 -5.148 -9.230 -7.077 1.00 1.41 H new ATOM 0 HD13 LEU A 28 -5.241 -9.617 -8.812 1.00 1.41 H new ATOM 0 HD21 LEU A 28 -7.319 -7.391 -9.357 1.00 1.57 H new ATOM 0 HD22 LEU A 28 -7.471 -9.019 -10.061 1.00 1.57 H new ATOM 0 HD23 LEU A 28 -8.803 -8.338 -9.098 1.00 1.57 H new ATOM 415 N LYS A 29 -8.407 -13.593 -7.921 1.00 0.51 N ATOM 416 CA LYS A 29 -8.382 -15.021 -7.578 1.00 0.59 C ATOM 417 C LYS A 29 -7.752 -15.880 -8.692 1.00 0.68 C ATOM 418 O LYS A 29 -7.315 -16.996 -8.429 1.00 0.74 O ATOM 419 CB LYS A 29 -9.789 -15.510 -7.179 1.00 0.72 C ATOM 420 CG LYS A 29 -10.128 -15.198 -5.706 1.00 1.45 C ATOM 421 CD LYS A 29 -11.647 -15.036 -5.498 1.00 1.83 C ATOM 422 CE LYS A 29 -12.193 -15.456 -4.117 1.00 1.43 C ATOM 423 NZ LYS A 29 -11.728 -14.596 -3.009 1.00 2.10 N ATOM 0 H LYS A 29 -9.337 -13.177 -7.880 1.00 0.51 H new ATOM 0 HA LYS A 29 -7.734 -15.143 -6.710 1.00 0.59 H new ATOM 0 HB2 LYS A 29 -10.530 -15.041 -7.826 1.00 0.72 H new ATOM 0 HB3 LYS A 29 -9.857 -16.585 -7.344 1.00 0.72 H new ATOM 0 HG2 LYS A 29 -9.756 -16.000 -5.068 1.00 1.45 H new ATOM 0 HG3 LYS A 29 -9.618 -14.284 -5.400 1.00 1.45 H new ATOM 0 HD2 LYS A 29 -11.906 -13.991 -5.666 1.00 1.83 H new ATOM 0 HD3 LYS A 29 -12.162 -15.619 -6.262 1.00 1.83 H new ATOM 0 HE2 LYS A 29 -13.282 -15.439 -4.146 1.00 1.43 H new ATOM 0 HE3 LYS A 29 -11.896 -16.485 -3.916 1.00 1.43 H new ATOM 0 HZ1 LYS A 29 -11.945 -15.053 -2.100 1.00 2.10 H new ATOM 0 HZ2 LYS A 29 -10.701 -14.453 -3.088 1.00 2.10 H new ATOM 0 HZ3 LYS A 29 -12.211 -13.676 -3.058 1.00 2.10 H new ATOM 437 N ARG A 30 -7.676 -15.373 -9.927 1.00 0.70 N ATOM 438 CA ARG A 30 -6.922 -16.011 -11.004 1.00 0.78 C ATOM 439 C ARG A 30 -5.429 -16.181 -10.672 1.00 0.76 C ATOM 440 O ARG A 30 -4.788 -17.088 -11.199 1.00 0.88 O ATOM 441 CB ARG A 30 -7.092 -15.188 -12.290 1.00 0.81 C ATOM 442 CG ARG A 30 -6.804 -15.996 -13.565 1.00 0.89 C ATOM 443 CD ARG A 30 -7.408 -15.291 -14.789 1.00 1.49 C ATOM 444 NE ARG A 30 -6.729 -15.689 -16.035 1.00 2.12 N ATOM 445 CZ ARG A 30 -7.137 -15.371 -17.276 1.00 2.67 C ATOM 446 NH1 ARG A 30 -8.326 -14.786 -17.460 1.00 3.14 N ATOM 447 NH2 ARG A 30 -6.352 -15.628 -18.329 1.00 3.44 N ATOM 0 H ARG A 30 -8.137 -14.507 -10.205 1.00 0.70 H new ATOM 0 HA ARG A 30 -7.323 -17.016 -11.139 1.00 0.78 H new ATOM 0 HB2 ARG A 30 -8.110 -14.801 -12.335 1.00 0.81 H new ATOM 0 HB3 ARG A 30 -6.425 -14.327 -12.254 1.00 0.81 H new ATOM 0 HG2 ARG A 30 -5.728 -16.110 -13.696 1.00 0.89 H new ATOM 0 HG3 ARG A 30 -7.222 -16.998 -13.471 1.00 0.89 H new ATOM 0 HD2 ARG A 30 -8.469 -15.530 -14.860 1.00 1.49 H new ATOM 0 HD3 ARG A 30 -7.332 -14.211 -14.662 1.00 1.49 H new ATOM 0 HE ARG A 30 -5.882 -16.251 -15.949 1.00 2.12 H new ATOM 0 HH11 ARG A 30 -8.923 -14.581 -16.659 1.00 3.14 H new ATOM 0 HH12 ARG A 30 -8.635 -14.545 -18.402 1.00 3.14 H new ATOM 0 HH21 ARG A 30 -5.441 -16.066 -18.191 1.00 3.44 H new ATOM 0 HH22 ARG A 30 -6.664 -15.386 -19.269 1.00 3.44 H new ATOM 461 N MET A 31 -4.853 -15.280 -9.869 1.00 0.64 N ATOM 462 CA MET A 31 -3.437 -15.290 -9.512 1.00 0.63 C ATOM 463 C MET A 31 -3.171 -16.285 -8.377 1.00 0.63 C ATOM 464 O MET A 31 -4.020 -16.455 -7.508 1.00 0.68 O ATOM 465 CB MET A 31 -3.012 -13.871 -9.112 1.00 0.56 C ATOM 466 CG MET A 31 -2.835 -13.006 -10.363 1.00 0.82 C ATOM 467 SD MET A 31 -1.108 -12.922 -10.907 1.00 1.27 S ATOM 468 CE MET A 31 -1.292 -12.160 -12.531 1.00 1.34 C ATOM 0 H MET A 31 -5.370 -14.511 -9.443 1.00 0.64 H new ATOM 0 HA MET A 31 -2.848 -15.611 -10.371 1.00 0.63 H new ATOM 0 HB2 MET A 31 -3.763 -13.429 -8.457 1.00 0.56 H new ATOM 0 HB3 MET A 31 -2.079 -13.907 -8.549 1.00 0.56 H new ATOM 0 HG2 MET A 31 -3.448 -13.409 -11.169 1.00 0.82 H new ATOM 0 HG3 MET A 31 -3.198 -11.999 -10.159 1.00 0.82 H new ATOM 0 HE1 MET A 31 -0.363 -12.267 -13.091 1.00 1.34 H new ATOM 0 HE2 MET A 31 -2.101 -12.650 -13.073 1.00 1.34 H new ATOM 0 HE3 MET A 31 -1.524 -11.102 -12.412 1.00 1.34 H new ATOM 478 N PRO A 32 -1.995 -16.932 -8.356 1.00 0.70 N ATOM 479 CA PRO A 32 -1.700 -18.000 -7.413 1.00 0.76 C ATOM 480 C PRO A 32 -1.507 -17.472 -5.989 1.00 0.78 C ATOM 481 O PRO A 32 -2.011 -18.068 -5.042 1.00 1.33 O ATOM 482 CB PRO A 32 -0.445 -18.684 -7.960 1.00 0.90 C ATOM 483 CG PRO A 32 0.273 -17.564 -8.713 1.00 0.93 C ATOM 484 CD PRO A 32 -0.889 -16.748 -9.285 1.00 0.82 C ATOM 0 HA PRO A 32 -2.528 -18.704 -7.329 1.00 0.76 H new ATOM 0 HB2 PRO A 32 0.173 -19.089 -7.159 1.00 0.90 H new ATOM 0 HB3 PRO A 32 -0.696 -19.515 -8.620 1.00 0.90 H new ATOM 0 HG2 PRO A 32 0.900 -16.967 -8.051 1.00 0.93 H new ATOM 0 HG3 PRO A 32 0.920 -17.954 -9.499 1.00 0.93 H new ATOM 0 HD2 PRO A 32 -0.622 -15.695 -9.372 1.00 0.82 H new ATOM 0 HD3 PRO A 32 -1.155 -17.093 -10.284 1.00 0.82 H new ATOM 492 N GLY A 33 -0.801 -16.347 -5.820 1.00 0.56 N ATOM 493 CA GLY A 33 -0.520 -15.805 -4.505 1.00 0.54 C ATOM 494 C GLY A 33 -1.800 -15.325 -3.840 1.00 0.50 C ATOM 495 O GLY A 33 -1.896 -15.353 -2.615 1.00 0.55 O ATOM 0 H GLY A 33 -0.416 -15.799 -6.589 1.00 0.56 H new ATOM 0 HA2 GLY A 33 -0.045 -16.566 -3.886 1.00 0.54 H new ATOM 0 HA3 GLY A 33 0.185 -14.978 -4.590 1.00 0.54 H new ATOM 499 N VAL A 34 -2.768 -14.850 -4.639 1.00 0.50 N ATOM 500 CA VAL A 34 -4.064 -14.433 -4.132 1.00 0.50 C ATOM 501 C VAL A 34 -4.705 -15.610 -3.416 1.00 0.56 C ATOM 502 O VAL A 34 -5.181 -16.555 -4.039 1.00 0.78 O ATOM 503 CB VAL A 34 -4.954 -13.853 -5.240 1.00 0.55 C ATOM 504 CG1 VAL A 34 -6.387 -13.663 -4.731 1.00 1.40 C ATOM 505 CG2 VAL A 34 -4.419 -12.483 -5.667 1.00 1.16 C ATOM 0 H VAL A 34 -2.665 -14.748 -5.649 1.00 0.50 H new ATOM 0 HA VAL A 34 -3.934 -13.619 -3.419 1.00 0.50 H new ATOM 0 HB VAL A 34 -4.948 -14.547 -6.080 1.00 0.55 H new ATOM 0 HG11 VAL A 34 -7.005 -13.251 -5.529 1.00 1.40 H new ATOM 0 HG12 VAL A 34 -6.793 -14.625 -4.418 1.00 1.40 H new ATOM 0 HG13 VAL A 34 -6.384 -12.977 -3.884 1.00 1.40 H new ATOM 0 HG21 VAL A 34 -5.053 -12.074 -6.454 1.00 1.16 H new ATOM 0 HG22 VAL A 34 -4.422 -11.808 -4.811 1.00 1.16 H new ATOM 0 HG23 VAL A 34 -3.401 -12.590 -6.041 1.00 1.16 H new ATOM 515 N THR A 35 -4.717 -15.523 -2.091 1.00 0.46 N ATOM 516 CA THR A 35 -5.248 -16.561 -1.245 1.00 0.52 C ATOM 517 C THR A 35 -6.733 -16.279 -1.053 1.00 0.53 C ATOM 518 O THR A 35 -7.545 -17.191 -1.182 1.00 0.61 O ATOM 519 CB THR A 35 -4.427 -16.603 0.043 1.00 0.58 C ATOM 520 OG1 THR A 35 -3.080 -16.875 -0.299 1.00 0.72 O ATOM 521 CG2 THR A 35 -4.905 -17.688 1.010 1.00 0.74 C ATOM 0 H THR A 35 -4.353 -14.719 -1.579 1.00 0.46 H new ATOM 0 HA THR A 35 -5.170 -17.558 -1.678 1.00 0.52 H new ATOM 0 HB THR A 35 -4.539 -15.640 0.542 1.00 0.58 H new ATOM 0 HG1 THR A 35 -2.486 -16.475 0.370 1.00 0.72 H new ATOM 0 HG21 THR A 35 -4.287 -17.673 1.908 1.00 0.74 H new ATOM 0 HG22 THR A 35 -5.944 -17.501 1.282 1.00 0.74 H new ATOM 0 HG23 THR A 35 -4.825 -18.664 0.531 1.00 0.74 H new ATOM 529 N ASP A 36 -7.100 -15.010 -0.808 1.00 0.50 N ATOM 530 CA ASP A 36 -8.499 -14.618 -0.770 1.00 0.59 C ATOM 531 C ASP A 36 -8.686 -13.122 -1.070 1.00 0.57 C ATOM 532 O ASP A 36 -8.492 -12.266 -0.207 1.00 1.22 O ATOM 533 CB ASP A 36 -9.128 -15.049 0.566 1.00 0.74 C ATOM 534 CG ASP A 36 -10.601 -15.395 0.414 1.00 1.06 C ATOM 535 OD1 ASP A 36 -11.215 -14.894 -0.559 1.00 1.62 O ATOM 536 OD2 ASP A 36 -11.110 -16.139 1.274 1.00 1.99 O ATOM 0 H ASP A 36 -6.443 -14.249 -0.635 1.00 0.50 H new ATOM 0 HA ASP A 36 -9.031 -15.139 -1.566 1.00 0.59 H new ATOM 0 HB2 ASP A 36 -8.591 -15.913 0.958 1.00 0.74 H new ATOM 0 HB3 ASP A 36 -9.017 -14.246 1.295 1.00 0.74 H new ATOM 541 N ALA A 37 -9.057 -12.794 -2.314 1.00 0.68 N ATOM 542 CA ALA A 37 -9.442 -11.445 -2.718 1.00 0.52 C ATOM 543 C ALA A 37 -10.909 -11.199 -2.381 1.00 0.55 C ATOM 544 O ALA A 37 -11.753 -11.961 -2.854 1.00 0.70 O ATOM 545 CB ALA A 37 -9.231 -11.278 -4.227 1.00 0.60 C ATOM 0 H ALA A 37 -9.097 -13.471 -3.076 1.00 0.68 H new ATOM 0 HA ALA A 37 -8.824 -10.725 -2.182 1.00 0.52 H new ATOM 0 HB1 ALA A 37 -9.519 -10.270 -4.525 1.00 0.60 H new ATOM 0 HB2 ALA A 37 -8.181 -11.441 -4.468 1.00 0.60 H new ATOM 0 HB3 ALA A 37 -9.843 -12.004 -4.762 1.00 0.60 H new ATOM 551 N ASN A 38 -11.208 -10.164 -1.585 1.00 0.52 N ATOM 552 CA ASN A 38 -12.576 -9.784 -1.233 1.00 0.67 C ATOM 553 C ASN A 38 -12.721 -8.262 -1.274 1.00 0.49 C ATOM 554 O ASN A 38 -11.724 -7.551 -1.157 1.00 0.36 O ATOM 555 CB ASN A 38 -12.941 -10.318 0.158 1.00 0.93 C ATOM 556 CG ASN A 38 -12.955 -11.840 0.168 1.00 1.36 C ATOM 557 OD1 ASN A 38 -13.992 -12.465 -0.024 1.00 2.69 O ATOM 558 ND2 ASN A 38 -11.790 -12.448 0.353 1.00 0.99 N ATOM 0 H ASN A 38 -10.498 -9.564 -1.165 1.00 0.52 H new ATOM 0 HA ASN A 38 -13.260 -10.224 -1.959 1.00 0.67 H new ATOM 0 HB2 ASN A 38 -12.224 -9.952 0.892 1.00 0.93 H new ATOM 0 HB3 ASN A 38 -13.920 -9.939 0.452 1.00 0.93 H new ATOM 0 HD21 ASN A 38 -11.738 -13.467 0.338 1.00 0.99 H new ATOM 0 HD22 ASN A 38 -10.946 -11.897 0.510 1.00 0.99 H new ATOM 565 N VAL A 39 -13.940 -7.738 -1.429 1.00 0.64 N ATOM 566 CA VAL A 39 -14.185 -6.302 -1.308 1.00 0.43 C ATOM 567 C VAL A 39 -15.466 -5.972 -0.541 1.00 0.54 C ATOM 568 O VAL A 39 -16.580 -6.317 -0.934 1.00 0.70 O ATOM 569 CB VAL A 39 -14.067 -5.608 -2.672 1.00 0.61 C ATOM 570 CG1 VAL A 39 -14.940 -6.228 -3.763 1.00 1.04 C ATOM 571 CG2 VAL A 39 -14.380 -4.115 -2.555 1.00 0.65 C ATOM 0 H VAL A 39 -14.772 -8.289 -1.639 1.00 0.64 H new ATOM 0 HA VAL A 39 -13.396 -5.884 -0.683 1.00 0.43 H new ATOM 0 HB VAL A 39 -13.031 -5.752 -2.978 1.00 0.61 H new ATOM 0 HG11 VAL A 39 -14.800 -5.681 -4.696 1.00 1.04 H new ATOM 0 HG12 VAL A 39 -14.656 -7.270 -3.907 1.00 1.04 H new ATOM 0 HG13 VAL A 39 -15.987 -6.175 -3.465 1.00 1.04 H new ATOM 0 HG21 VAL A 39 -14.289 -3.646 -3.535 1.00 0.65 H new ATOM 0 HG22 VAL A 39 -15.396 -3.984 -2.183 1.00 0.65 H new ATOM 0 HG23 VAL A 39 -13.678 -3.649 -1.864 1.00 0.65 H new ATOM 581 N ASN A 40 -15.300 -5.214 0.545 1.00 0.55 N ATOM 582 CA ASN A 40 -16.395 -4.725 1.356 1.00 0.70 C ATOM 583 C ASN A 40 -16.934 -3.487 0.672 1.00 0.67 C ATOM 584 O ASN A 40 -16.632 -2.371 1.087 1.00 0.66 O ATOM 585 CB ASN A 40 -15.903 -4.385 2.768 1.00 0.81 C ATOM 586 CG ASN A 40 -15.799 -5.628 3.630 1.00 1.30 C ATOM 587 OD1 ASN A 40 -15.016 -6.528 3.340 1.00 1.98 O ATOM 588 ND2 ASN A 40 -16.605 -5.688 4.685 1.00 1.68 N ATOM 0 H ASN A 40 -14.383 -4.923 0.883 1.00 0.55 H new ATOM 0 HA ASN A 40 -17.173 -5.482 1.454 1.00 0.70 H new ATOM 0 HB2 ASN A 40 -14.929 -3.899 2.709 1.00 0.81 H new ATOM 0 HB3 ASN A 40 -16.587 -3.674 3.232 1.00 0.81 H new ATOM 0 HD21 ASN A 40 -16.589 -6.507 5.293 1.00 1.68 H new ATOM 0 HD22 ASN A 40 -17.239 -4.915 4.887 1.00 1.68 H new ATOM 595 N LEU A 41 -17.760 -3.693 -0.356 1.00 0.73 N ATOM 596 CA LEU A 41 -18.490 -2.625 -1.029 1.00 0.78 C ATOM 597 C LEU A 41 -19.228 -1.713 -0.053 1.00 0.82 C ATOM 598 O LEU A 41 -19.336 -0.516 -0.291 1.00 0.89 O ATOM 599 CB LEU A 41 -19.418 -3.184 -2.110 1.00 0.95 C ATOM 600 CG LEU A 41 -20.510 -4.141 -1.614 1.00 1.19 C ATOM 601 CD1 LEU A 41 -21.860 -3.435 -1.429 1.00 1.52 C ATOM 602 CD2 LEU A 41 -20.661 -5.291 -2.617 1.00 1.44 C ATOM 0 H LEU A 41 -17.940 -4.618 -0.746 1.00 0.73 H new ATOM 0 HA LEU A 41 -17.750 -1.997 -1.525 1.00 0.78 H new ATOM 0 HB2 LEU A 41 -19.896 -2.348 -2.621 1.00 0.95 H new ATOM 0 HB3 LEU A 41 -18.812 -3.705 -2.851 1.00 0.95 H new ATOM 0 HG LEU A 41 -20.207 -4.521 -0.638 1.00 1.19 H new ATOM 0 HD11 LEU A 41 -22.601 -4.153 -1.077 1.00 1.52 H new ATOM 0 HD12 LEU A 41 -21.754 -2.634 -0.697 1.00 1.52 H new ATOM 0 HD13 LEU A 41 -22.185 -3.016 -2.381 1.00 1.52 H new ATOM 0 HD21 LEU A 41 -21.435 -5.976 -2.272 1.00 1.44 H new ATOM 0 HD22 LEU A 41 -20.940 -4.890 -3.591 1.00 1.44 H new ATOM 0 HD23 LEU A 41 -19.715 -5.826 -2.702 1.00 1.44 H new ATOM 614 N ALA A 42 -19.668 -2.263 1.079 1.00 0.85 N ATOM 615 CA ALA A 42 -20.316 -1.507 2.136 1.00 0.95 C ATOM 616 C ALA A 42 -19.465 -0.318 2.581 1.00 0.86 C ATOM 617 O ALA A 42 -20.010 0.715 2.961 1.00 0.94 O ATOM 618 CB ALA A 42 -20.609 -2.422 3.328 1.00 1.09 C ATOM 0 H ALA A 42 -19.581 -3.258 1.284 1.00 0.85 H new ATOM 0 HA ALA A 42 -21.253 -1.114 1.741 1.00 0.95 H new ATOM 0 HB1 ALA A 42 -21.095 -1.848 4.117 1.00 1.09 H new ATOM 0 HB2 ALA A 42 -21.266 -3.232 3.012 1.00 1.09 H new ATOM 0 HB3 ALA A 42 -19.675 -2.838 3.705 1.00 1.09 H new ATOM 624 N THR A 43 -18.137 -0.472 2.544 1.00 0.74 N ATOM 625 CA THR A 43 -17.204 0.625 2.771 1.00 0.70 C ATOM 626 C THR A 43 -16.253 0.799 1.575 1.00 0.64 C ATOM 627 O THR A 43 -15.169 1.355 1.735 1.00 0.81 O ATOM 628 CB THR A 43 -16.462 0.366 4.093 1.00 0.78 C ATOM 629 OG1 THR A 43 -16.035 -0.983 4.150 1.00 0.75 O ATOM 630 CG2 THR A 43 -17.385 0.623 5.290 1.00 1.08 C ATOM 0 H THR A 43 -17.683 -1.365 2.355 1.00 0.74 H new ATOM 0 HA THR A 43 -17.742 1.569 2.857 1.00 0.70 H new ATOM 0 HB THR A 43 -15.606 1.040 4.135 1.00 0.78 H new ATOM 0 HG1 THR A 43 -15.562 -1.141 4.993 1.00 0.75 H new ATOM 0 HG21 THR A 43 -16.841 0.434 6.216 1.00 1.08 H new ATOM 0 HG22 THR A 43 -17.723 1.659 5.273 1.00 1.08 H new ATOM 0 HG23 THR A 43 -18.247 -0.041 5.234 1.00 1.08 H new ATOM 638 N GLU A 44 -16.636 0.313 0.387 1.00 0.56 N ATOM 639 CA GLU A 44 -15.812 0.301 -0.825 1.00 0.60 C ATOM 640 C GLU A 44 -14.349 -0.105 -0.565 1.00 0.65 C ATOM 641 O GLU A 44 -13.435 0.438 -1.186 1.00 0.99 O ATOM 642 CB GLU A 44 -15.927 1.655 -1.543 1.00 0.69 C ATOM 643 CG GLU A 44 -17.366 1.936 -1.994 1.00 0.81 C ATOM 644 CD GLU A 44 -17.447 3.245 -2.769 1.00 0.94 C ATOM 645 OE1 GLU A 44 -17.262 3.185 -4.005 1.00 1.84 O ATOM 646 OE2 GLU A 44 -17.679 4.281 -2.112 1.00 1.37 O ATOM 0 H GLU A 44 -17.559 -0.096 0.240 1.00 0.56 H new ATOM 0 HA GLU A 44 -16.201 -0.477 -1.482 1.00 0.60 H new ATOM 0 HB2 GLU A 44 -15.592 2.450 -0.877 1.00 0.69 H new ATOM 0 HB3 GLU A 44 -15.265 1.665 -2.409 1.00 0.69 H new ATOM 0 HG2 GLU A 44 -17.722 1.117 -2.618 1.00 0.81 H new ATOM 0 HG3 GLU A 44 -18.021 1.982 -1.124 1.00 0.81 H new ATOM 653 N THR A 45 -14.118 -1.067 0.338 1.00 0.47 N ATOM 654 CA THR A 45 -12.804 -1.383 0.855 1.00 0.43 C ATOM 655 C THR A 45 -12.390 -2.731 0.280 1.00 0.39 C ATOM 656 O THR A 45 -12.869 -3.777 0.732 1.00 0.55 O ATOM 657 CB THR A 45 -12.896 -1.377 2.385 1.00 0.55 C ATOM 658 OG1 THR A 45 -13.069 -0.051 2.836 1.00 0.73 O ATOM 659 CG2 THR A 45 -11.618 -1.899 3.022 1.00 0.60 C ATOM 0 H THR A 45 -14.859 -1.650 0.728 1.00 0.47 H new ATOM 0 HA THR A 45 -12.043 -0.658 0.567 1.00 0.43 H new ATOM 0 HB THR A 45 -13.734 -2.015 2.665 1.00 0.55 H new ATOM 0 HG1 THR A 45 -13.866 0.336 2.417 1.00 0.73 H new ATOM 0 HG21 THR A 45 -11.719 -1.881 4.107 1.00 0.60 H new ATOM 0 HG22 THR A 45 -11.438 -2.922 2.691 1.00 0.60 H new ATOM 0 HG23 THR A 45 -10.780 -1.269 2.725 1.00 0.60 H new ATOM 667 N VAL A 46 -11.501 -2.711 -0.715 1.00 0.29 N ATOM 668 CA VAL A 46 -10.988 -3.908 -1.343 1.00 0.28 C ATOM 669 C VAL A 46 -9.909 -4.452 -0.415 1.00 0.33 C ATOM 670 O VAL A 46 -8.924 -3.779 -0.116 1.00 0.42 O ATOM 671 CB VAL A 46 -10.544 -3.645 -2.796 1.00 0.29 C ATOM 672 CG1 VAL A 46 -9.547 -2.495 -2.980 1.00 0.35 C ATOM 673 CG2 VAL A 46 -9.943 -4.911 -3.404 1.00 0.33 C ATOM 0 H VAL A 46 -11.119 -1.849 -1.104 1.00 0.29 H new ATOM 0 HA VAL A 46 -11.754 -4.674 -1.464 1.00 0.28 H new ATOM 0 HB VAL A 46 -11.457 -3.344 -3.309 1.00 0.29 H new ATOM 0 HG11 VAL A 46 -9.300 -2.393 -4.037 1.00 0.35 H new ATOM 0 HG12 VAL A 46 -9.992 -1.567 -2.621 1.00 0.35 H new ATOM 0 HG13 VAL A 46 -8.640 -2.706 -2.414 1.00 0.35 H new ATOM 0 HG21 VAL A 46 -9.634 -4.711 -4.430 1.00 0.33 H new ATOM 0 HG22 VAL A 46 -9.077 -5.220 -2.818 1.00 0.33 H new ATOM 0 HG23 VAL A 46 -10.688 -5.706 -3.398 1.00 0.33 H new ATOM 683 N ASN A 47 -10.173 -5.643 0.119 1.00 0.33 N ATOM 684 CA ASN A 47 -9.369 -6.304 1.124 1.00 0.42 C ATOM 685 C ASN A 47 -8.860 -7.615 0.533 1.00 0.43 C ATOM 686 O ASN A 47 -9.601 -8.589 0.405 1.00 0.46 O ATOM 687 CB ASN A 47 -10.127 -6.449 2.452 1.00 0.55 C ATOM 688 CG ASN A 47 -11.517 -7.081 2.371 1.00 1.94 C ATOM 689 OD1 ASN A 47 -11.698 -8.239 2.726 1.00 3.41 O ATOM 690 ND2 ASN A 47 -12.535 -6.301 2.005 1.00 2.83 N ATOM 0 H ASN A 47 -10.989 -6.190 -0.154 1.00 0.33 H new ATOM 0 HA ASN A 47 -8.500 -5.701 1.388 1.00 0.42 H new ATOM 0 HB2 ASN A 47 -9.518 -7.047 3.130 1.00 0.55 H new ATOM 0 HB3 ASN A 47 -10.226 -5.460 2.900 1.00 0.55 H new ATOM 0 HD21 ASN A 47 -13.487 -6.666 2.017 1.00 2.83 H new ATOM 0 HD22 ASN A 47 -12.361 -5.339 1.713 1.00 2.83 H new ATOM 697 N VAL A 48 -7.596 -7.605 0.101 1.00 0.43 N ATOM 698 CA VAL A 48 -6.997 -8.705 -0.642 1.00 0.41 C ATOM 699 C VAL A 48 -5.981 -9.405 0.251 1.00 0.45 C ATOM 700 O VAL A 48 -5.062 -8.752 0.748 1.00 0.43 O ATOM 701 CB VAL A 48 -6.359 -8.209 -1.957 1.00 0.37 C ATOM 702 CG1 VAL A 48 -6.169 -9.370 -2.941 1.00 0.35 C ATOM 703 CG2 VAL A 48 -7.219 -7.138 -2.638 1.00 0.38 C ATOM 0 H VAL A 48 -6.959 -6.825 0.261 1.00 0.43 H new ATOM 0 HA VAL A 48 -7.771 -9.419 -0.925 1.00 0.41 H new ATOM 0 HB VAL A 48 -5.394 -7.778 -1.692 1.00 0.37 H new ATOM 0 HG11 VAL A 48 -5.718 -8.997 -3.861 1.00 0.35 H new ATOM 0 HG12 VAL A 48 -5.517 -10.121 -2.496 1.00 0.35 H new ATOM 0 HG13 VAL A 48 -7.137 -9.818 -3.167 1.00 0.35 H new ATOM 0 HG21 VAL A 48 -6.735 -6.815 -3.560 1.00 0.38 H new ATOM 0 HG22 VAL A 48 -8.200 -7.552 -2.869 1.00 0.38 H new ATOM 0 HG23 VAL A 48 -7.333 -6.284 -1.970 1.00 0.38 H new ATOM 713 N ILE A 49 -6.142 -10.719 0.447 1.00 0.56 N ATOM 714 CA ILE A 49 -5.211 -11.545 1.203 1.00 0.57 C ATOM 715 C ILE A 49 -4.426 -12.382 0.203 1.00 0.51 C ATOM 716 O ILE A 49 -5.013 -13.069 -0.640 1.00 0.50 O ATOM 717 CB ILE A 49 -5.965 -12.405 2.234 1.00 0.62 C ATOM 718 CG1 ILE A 49 -6.506 -11.486 3.343 1.00 0.65 C ATOM 719 CG2 ILE A 49 -5.080 -13.503 2.857 1.00 0.82 C ATOM 720 CD1 ILE A 49 -7.799 -12.027 3.956 1.00 1.06 C ATOM 0 H ILE A 49 -6.937 -11.240 0.077 1.00 0.56 H new ATOM 0 HA ILE A 49 -4.516 -10.932 1.777 1.00 0.57 H new ATOM 0 HB ILE A 49 -6.778 -12.912 1.714 1.00 0.62 H new ATOM 0 HG12 ILE A 49 -5.753 -11.377 4.123 1.00 0.65 H new ATOM 0 HG13 ILE A 49 -6.687 -10.492 2.934 1.00 0.65 H new ATOM 0 HG21 ILE A 49 -5.665 -14.077 3.576 1.00 0.82 H new ATOM 0 HG22 ILE A 49 -4.717 -14.166 2.072 1.00 0.82 H new ATOM 0 HG23 ILE A 49 -4.232 -13.043 3.364 1.00 0.82 H new ATOM 0 HD11 ILE A 49 -8.145 -11.347 4.734 1.00 1.06 H new ATOM 0 HD12 ILE A 49 -8.562 -12.111 3.182 1.00 1.06 H new ATOM 0 HD13 ILE A 49 -7.613 -13.010 4.390 1.00 1.06 H new ATOM 732 N TYR A 50 -3.097 -12.295 0.260 1.00 0.54 N ATOM 733 CA TYR A 50 -2.241 -12.922 -0.728 1.00 0.49 C ATOM 734 C TYR A 50 -0.856 -13.188 -0.160 1.00 0.57 C ATOM 735 O TYR A 50 -0.476 -12.603 0.861 1.00 0.62 O ATOM 736 CB TYR A 50 -2.146 -12.044 -1.983 1.00 0.49 C ATOM 737 CG TYR A 50 -1.625 -10.647 -1.732 1.00 0.57 C ATOM 738 CD1 TYR A 50 -2.539 -9.632 -1.408 1.00 1.92 C ATOM 739 CD2 TYR A 50 -0.265 -10.333 -1.921 1.00 1.53 C ATOM 740 CE1 TYR A 50 -2.111 -8.302 -1.319 1.00 1.90 C ATOM 741 CE2 TYR A 50 0.172 -9.004 -1.786 1.00 1.56 C ATOM 742 CZ TYR A 50 -0.756 -7.989 -1.492 1.00 0.59 C ATOM 743 OH TYR A 50 -0.314 -6.734 -1.185 1.00 0.68 O ATOM 0 H TYR A 50 -2.593 -11.790 0.989 1.00 0.54 H new ATOM 0 HA TYR A 50 -2.683 -13.880 -1.002 1.00 0.49 H new ATOM 0 HB2 TYR A 50 -1.496 -12.536 -2.707 1.00 0.49 H new ATOM 0 HB3 TYR A 50 -3.134 -11.974 -2.438 1.00 0.49 H new ATOM 0 HD1 TYR A 50 -3.575 -9.878 -1.227 1.00 1.92 H new ATOM 0 HD2 TYR A 50 0.441 -11.112 -2.169 1.00 1.53 H new ATOM 0 HE1 TYR A 50 -2.825 -7.517 -1.117 1.00 1.90 H new ATOM 0 HE2 TYR A 50 1.218 -8.763 -1.908 1.00 1.56 H new ATOM 0 HH TYR A 50 -1.065 -6.192 -0.865 1.00 0.68 H new ATOM 753 N ASP A 51 -0.106 -14.035 -0.870 1.00 0.60 N ATOM 754 CA ASP A 51 1.233 -14.414 -0.467 1.00 0.68 C ATOM 755 C ASP A 51 2.226 -13.363 -0.972 1.00 0.68 C ATOM 756 O ASP A 51 2.279 -13.109 -2.182 1.00 0.65 O ATOM 757 CB ASP A 51 1.560 -15.800 -1.021 1.00 0.78 C ATOM 758 CG ASP A 51 2.759 -16.348 -0.276 1.00 0.94 C ATOM 759 OD1 ASP A 51 3.851 -15.787 -0.506 1.00 1.75 O ATOM 760 OD2 ASP A 51 2.533 -17.252 0.562 1.00 1.87 O ATOM 0 H ASP A 51 -0.418 -14.472 -1.738 1.00 0.60 H new ATOM 0 HA ASP A 51 1.302 -14.460 0.620 1.00 0.68 H new ATOM 0 HB2 ASP A 51 0.705 -16.466 -0.903 1.00 0.78 H new ATOM 0 HB3 ASP A 51 1.773 -15.740 -2.088 1.00 0.78 H new ATOM 765 N PRO A 52 3.016 -12.718 -0.099 1.00 0.76 N ATOM 766 CA PRO A 52 3.874 -11.599 -0.468 1.00 0.82 C ATOM 767 C PRO A 52 5.138 -12.030 -1.228 1.00 0.81 C ATOM 768 O PRO A 52 6.145 -11.324 -1.174 1.00 0.90 O ATOM 769 CB PRO A 52 4.210 -10.922 0.870 1.00 0.96 C ATOM 770 CG PRO A 52 4.224 -12.093 1.852 1.00 0.96 C ATOM 771 CD PRO A 52 3.092 -12.975 1.330 1.00 0.86 C ATOM 0 HA PRO A 52 3.373 -10.927 -1.164 1.00 0.82 H new ATOM 0 HB2 PRO A 52 5.173 -10.413 0.834 1.00 0.96 H new ATOM 0 HB3 PRO A 52 3.465 -10.175 1.143 1.00 0.96 H new ATOM 0 HG2 PRO A 52 5.181 -12.615 1.847 1.00 0.96 H new ATOM 0 HG3 PRO A 52 4.044 -11.766 2.876 1.00 0.96 H new ATOM 0 HD2 PRO A 52 3.294 -14.028 1.528 1.00 0.86 H new ATOM 0 HD3 PRO A 52 2.150 -12.733 1.821 1.00 0.86 H new ATOM 779 N ALA A 53 5.093 -13.152 -1.953 1.00 0.76 N ATOM 780 CA ALA A 53 6.256 -13.726 -2.629 1.00 0.78 C ATOM 781 C ALA A 53 5.928 -14.386 -3.973 1.00 0.77 C ATOM 782 O ALA A 53 6.830 -14.920 -4.614 1.00 1.03 O ATOM 783 CB ALA A 53 6.966 -14.703 -1.687 1.00 0.84 C ATOM 0 H ALA A 53 4.238 -13.692 -2.087 1.00 0.76 H new ATOM 0 HA ALA A 53 6.923 -12.900 -2.874 1.00 0.78 H new ATOM 0 HB1 ALA A 53 7.833 -15.130 -2.192 1.00 0.84 H new ATOM 0 HB2 ALA A 53 7.292 -14.173 -0.792 1.00 0.84 H new ATOM 0 HB3 ALA A 53 6.279 -15.502 -1.406 1.00 0.84 H new ATOM 789 N GLU A 54 4.670 -14.314 -4.422 1.00 0.73 N ATOM 790 CA GLU A 54 4.235 -14.814 -5.717 1.00 0.71 C ATOM 791 C GLU A 54 3.647 -13.694 -6.573 1.00 0.72 C ATOM 792 O GLU A 54 3.846 -13.674 -7.785 1.00 0.82 O ATOM 793 CB GLU A 54 3.183 -15.904 -5.509 1.00 0.66 C ATOM 794 CG GLU A 54 3.782 -17.141 -4.822 1.00 0.67 C ATOM 795 CD GLU A 54 2.877 -18.362 -4.943 1.00 0.70 C ATOM 796 OE1 GLU A 54 2.286 -18.522 -6.033 1.00 1.57 O ATOM 797 OE2 GLU A 54 2.811 -19.126 -3.957 1.00 1.72 O ATOM 0 H GLU A 54 3.915 -13.896 -3.878 1.00 0.73 H new ATOM 0 HA GLU A 54 5.101 -15.222 -6.238 1.00 0.71 H new ATOM 0 HB2 GLU A 54 2.365 -15.511 -4.905 1.00 0.66 H new ATOM 0 HB3 GLU A 54 2.759 -16.191 -6.471 1.00 0.66 H new ATOM 0 HG2 GLU A 54 4.753 -17.365 -5.264 1.00 0.67 H new ATOM 0 HG3 GLU A 54 3.954 -16.922 -3.768 1.00 0.67 H new ATOM 804 N THR A 55 2.881 -12.789 -5.953 1.00 0.67 N ATOM 805 CA THR A 55 2.015 -11.867 -6.660 1.00 0.68 C ATOM 806 C THR A 55 2.587 -10.454 -6.503 1.00 0.71 C ATOM 807 O THR A 55 3.234 -9.948 -7.417 1.00 0.80 O ATOM 808 CB THR A 55 0.586 -12.093 -6.137 1.00 0.64 C ATOM 809 OG1 THR A 55 0.063 -13.288 -6.686 1.00 0.69 O ATOM 810 CG2 THR A 55 -0.338 -10.937 -6.484 1.00 0.74 C ATOM 0 H THR A 55 2.852 -12.683 -4.939 1.00 0.67 H new ATOM 0 HA THR A 55 1.966 -12.028 -7.737 1.00 0.68 H new ATOM 0 HB THR A 55 0.641 -12.165 -5.051 1.00 0.64 H new ATOM 0 HG1 THR A 55 -0.847 -13.431 -6.351 1.00 0.69 H new ATOM 0 HG21 THR A 55 -1.336 -11.140 -6.095 1.00 0.74 H new ATOM 0 HG22 THR A 55 0.045 -10.019 -6.039 1.00 0.74 H new ATOM 0 HG23 THR A 55 -0.387 -10.823 -7.567 1.00 0.74 H new ATOM 818 N GLY A 56 2.389 -9.823 -5.341 1.00 0.67 N ATOM 819 CA GLY A 56 2.993 -8.546 -5.009 1.00 0.73 C ATOM 820 C GLY A 56 1.940 -7.448 -5.062 1.00 0.70 C ATOM 821 O GLY A 56 1.259 -7.289 -6.069 1.00 0.69 O ATOM 0 H GLY A 56 1.795 -10.197 -4.601 1.00 0.67 H new ATOM 0 HA2 GLY A 56 3.435 -8.590 -4.014 1.00 0.73 H new ATOM 0 HA3 GLY A 56 3.800 -8.323 -5.707 1.00 0.73 H new ATOM 825 N THR A 57 1.822 -6.687 -3.973 1.00 0.70 N ATOM 826 CA THR A 57 0.961 -5.505 -3.830 1.00 0.68 C ATOM 827 C THR A 57 0.822 -4.702 -5.133 1.00 0.67 C ATOM 828 O THR A 57 -0.283 -4.380 -5.569 1.00 0.64 O ATOM 829 CB THR A 57 1.446 -4.642 -2.649 1.00 0.68 C ATOM 830 OG1 THR A 57 0.534 -3.601 -2.365 1.00 0.81 O ATOM 831 CG2 THR A 57 2.853 -4.108 -2.873 1.00 0.67 C ATOM 0 H THR A 57 2.349 -6.886 -3.123 1.00 0.70 H new ATOM 0 HA THR A 57 -0.048 -5.851 -3.607 1.00 0.68 H new ATOM 0 HB THR A 57 1.490 -5.290 -1.774 1.00 0.68 H new ATOM 0 HG1 THR A 57 0.781 -3.172 -1.519 1.00 0.81 H new ATOM 0 HG21 THR A 57 3.154 -3.505 -2.016 1.00 0.67 H new ATOM 0 HG22 THR A 57 3.544 -4.942 -2.991 1.00 0.67 H new ATOM 0 HG23 THR A 57 2.870 -3.493 -3.773 1.00 0.67 H new ATOM 839 N ALA A 58 1.949 -4.423 -5.788 1.00 0.71 N ATOM 840 CA ALA A 58 1.967 -3.632 -7.007 1.00 0.74 C ATOM 841 C ALA A 58 1.259 -4.371 -8.142 1.00 0.68 C ATOM 842 O ALA A 58 0.560 -3.746 -8.928 1.00 0.64 O ATOM 843 CB ALA A 58 3.409 -3.280 -7.375 1.00 0.88 C ATOM 0 H ALA A 58 2.870 -4.740 -5.485 1.00 0.71 H new ATOM 0 HA ALA A 58 1.423 -2.703 -6.839 1.00 0.74 H new ATOM 0 HB1 ALA A 58 3.417 -2.687 -8.290 1.00 0.88 H new ATOM 0 HB2 ALA A 58 3.861 -2.706 -6.566 1.00 0.88 H new ATOM 0 HB3 ALA A 58 3.978 -4.196 -7.532 1.00 0.88 H new ATOM 849 N ALA A 59 1.395 -5.697 -8.229 1.00 0.68 N ATOM 850 CA ALA A 59 0.671 -6.472 -9.224 1.00 0.66 C ATOM 851 C ALA A 59 -0.819 -6.511 -8.887 1.00 0.58 C ATOM 852 O ALA A 59 -1.661 -6.417 -9.778 1.00 0.59 O ATOM 853 CB ALA A 59 1.243 -7.882 -9.313 1.00 0.69 C ATOM 0 H ALA A 59 2.000 -6.250 -7.621 1.00 0.68 H new ATOM 0 HA ALA A 59 0.788 -5.992 -10.196 1.00 0.66 H new ATOM 0 HB1 ALA A 59 0.692 -8.452 -10.061 1.00 0.69 H new ATOM 0 HB2 ALA A 59 2.294 -7.831 -9.597 1.00 0.69 H new ATOM 0 HB3 ALA A 59 1.152 -8.373 -8.344 1.00 0.69 H new ATOM 859 N ILE A 60 -1.154 -6.643 -7.596 1.00 0.54 N ATOM 860 CA ILE A 60 -2.546 -6.620 -7.144 1.00 0.50 C ATOM 861 C ILE A 60 -3.179 -5.327 -7.663 1.00 0.48 C ATOM 862 O ILE A 60 -4.168 -5.342 -8.399 1.00 0.44 O ATOM 863 CB ILE A 60 -2.663 -6.684 -5.603 1.00 0.54 C ATOM 864 CG1 ILE A 60 -1.824 -7.780 -4.931 1.00 0.73 C ATOM 865 CG2 ILE A 60 -4.123 -6.774 -5.144 1.00 0.45 C ATOM 866 CD1 ILE A 60 -2.528 -9.106 -4.692 1.00 0.79 C ATOM 0 H ILE A 60 -0.474 -6.767 -6.846 1.00 0.54 H new ATOM 0 HA ILE A 60 -3.061 -7.499 -7.532 1.00 0.50 H new ATOM 0 HB ILE A 60 -2.236 -5.739 -5.268 1.00 0.54 H new ATOM 0 HG12 ILE A 60 -0.944 -7.965 -5.546 1.00 0.73 H new ATOM 0 HG13 ILE A 60 -1.469 -7.402 -3.972 1.00 0.73 H new ATOM 0 HG21 ILE A 60 -4.160 -6.817 -4.055 1.00 0.45 H new ATOM 0 HG22 ILE A 60 -4.668 -5.896 -5.491 1.00 0.45 H new ATOM 0 HG23 ILE A 60 -4.580 -7.673 -5.558 1.00 0.45 H new ATOM 0 HD11 ILE A 60 -1.840 -9.802 -4.213 1.00 0.79 H new ATOM 0 HD12 ILE A 60 -3.392 -8.948 -4.046 1.00 0.79 H new ATOM 0 HD13 ILE A 60 -2.858 -9.520 -5.645 1.00 0.79 H new ATOM 878 N GLN A 61 -2.574 -4.195 -7.290 1.00 0.55 N ATOM 879 CA GLN A 61 -3.096 -2.895 -7.655 1.00 0.61 C ATOM 880 C GLN A 61 -2.990 -2.675 -9.167 1.00 0.65 C ATOM 881 O GLN A 61 -3.856 -2.011 -9.734 1.00 0.74 O ATOM 882 CB GLN A 61 -2.489 -1.794 -6.768 1.00 0.82 C ATOM 883 CG GLN A 61 -1.178 -1.171 -7.266 1.00 1.02 C ATOM 884 CD GLN A 61 -1.375 0.198 -7.899 1.00 1.13 C ATOM 885 OE1 GLN A 61 -0.675 1.142 -7.549 1.00 2.29 O ATOM 886 NE2 GLN A 61 -2.339 0.333 -8.796 1.00 1.95 N ATOM 0 H GLN A 61 -1.720 -4.164 -6.734 1.00 0.55 H new ATOM 0 HA GLN A 61 -4.165 -2.845 -7.449 1.00 0.61 H new ATOM 0 HB2 GLN A 61 -3.226 -0.999 -6.656 1.00 0.82 H new ATOM 0 HB3 GLN A 61 -2.316 -2.210 -5.775 1.00 0.82 H new ATOM 0 HG2 GLN A 61 -0.483 -1.083 -6.431 1.00 1.02 H new ATOM 0 HG3 GLN A 61 -0.718 -1.839 -7.994 1.00 1.02 H new ATOM 0 HE21 GLN A 61 -2.903 -0.474 -9.064 1.00 1.95 H new ATOM 0 HE22 GLN A 61 -2.518 1.244 -9.219 1.00 1.95 H new ATOM 895 N GLU A 62 -1.966 -3.230 -9.833 1.00 0.67 N ATOM 896 CA GLU A 62 -1.900 -3.191 -11.286 1.00 0.72 C ATOM 897 C GLU A 62 -3.162 -3.855 -11.834 1.00 0.69 C ATOM 898 O GLU A 62 -3.763 -3.341 -12.775 1.00 0.75 O ATOM 899 CB GLU A 62 -0.618 -3.860 -11.829 1.00 0.76 C ATOM 900 CG GLU A 62 -0.530 -3.741 -13.359 1.00 0.90 C ATOM 901 CD GLU A 62 0.549 -4.601 -14.017 1.00 1.23 C ATOM 902 OE1 GLU A 62 0.678 -5.766 -13.596 1.00 1.98 O ATOM 903 OE2 GLU A 62 1.090 -4.153 -15.058 1.00 2.05 O ATOM 0 H GLU A 62 -1.182 -3.705 -9.385 1.00 0.67 H new ATOM 0 HA GLU A 62 -1.852 -2.155 -11.620 1.00 0.72 H new ATOM 0 HB2 GLU A 62 0.257 -3.395 -11.375 1.00 0.76 H new ATOM 0 HB3 GLU A 62 -0.605 -4.912 -11.543 1.00 0.76 H new ATOM 0 HG2 GLU A 62 -1.497 -4.010 -13.785 1.00 0.90 H new ATOM 0 HG3 GLU A 62 -0.348 -2.698 -13.617 1.00 0.90 H new ATOM 910 N LYS A 63 -3.586 -4.988 -11.262 1.00 0.60 N ATOM 911 CA LYS A 63 -4.713 -5.720 -11.792 1.00 0.57 C ATOM 912 C LYS A 63 -5.961 -4.851 -11.706 1.00 0.52 C ATOM 913 O LYS A 63 -6.664 -4.700 -12.703 1.00 0.59 O ATOM 914 CB LYS A 63 -4.878 -7.053 -11.052 1.00 0.56 C ATOM 915 CG LYS A 63 -4.945 -8.238 -12.018 1.00 0.77 C ATOM 916 CD LYS A 63 -3.553 -8.563 -12.586 1.00 1.70 C ATOM 917 CE LYS A 63 -3.403 -8.330 -14.097 1.00 1.37 C ATOM 918 NZ LYS A 63 -4.317 -9.174 -14.892 1.00 2.21 N ATOM 0 H LYS A 63 -3.159 -5.406 -10.436 1.00 0.60 H new ATOM 0 HA LYS A 63 -4.543 -5.961 -12.841 1.00 0.57 H new ATOM 0 HB2 LYS A 63 -4.044 -7.192 -10.364 1.00 0.56 H new ATOM 0 HB3 LYS A 63 -5.786 -7.024 -10.450 1.00 0.56 H new ATOM 0 HG2 LYS A 63 -5.344 -9.111 -11.502 1.00 0.77 H new ATOM 0 HG3 LYS A 63 -5.631 -8.009 -12.834 1.00 0.77 H new ATOM 0 HD2 LYS A 63 -2.813 -7.957 -12.064 1.00 1.70 H new ATOM 0 HD3 LYS A 63 -3.322 -9.606 -12.369 1.00 1.70 H new ATOM 0 HE2 LYS A 63 -3.596 -7.281 -14.321 1.00 1.37 H new ATOM 0 HE3 LYS A 63 -2.374 -8.535 -14.393 1.00 1.37 H new ATOM 0 HZ1 LYS A 63 -4.022 -9.161 -15.889 1.00 2.21 H new ATOM 0 HZ2 LYS A 63 -4.287 -10.150 -14.535 1.00 2.21 H new ATOM 0 HZ3 LYS A 63 -5.286 -8.806 -14.813 1.00 2.21 H new ATOM 932 N ILE A 64 -6.215 -4.262 -10.534 1.00 0.46 N ATOM 933 CA ILE A 64 -7.332 -3.347 -10.343 1.00 0.43 C ATOM 934 C ILE A 64 -7.319 -2.284 -11.446 1.00 0.48 C ATOM 935 O ILE A 64 -8.344 -2.052 -12.087 1.00 0.50 O ATOM 936 CB ILE A 64 -7.290 -2.734 -8.929 1.00 0.41 C ATOM 937 CG1 ILE A 64 -7.422 -3.850 -7.873 1.00 0.39 C ATOM 938 CG2 ILE A 64 -8.423 -1.712 -8.768 1.00 0.42 C ATOM 939 CD1 ILE A 64 -7.258 -3.350 -6.435 1.00 0.56 C ATOM 0 H ILE A 64 -5.651 -4.409 -9.697 1.00 0.46 H new ATOM 0 HA ILE A 64 -8.274 -3.891 -10.420 1.00 0.43 H new ATOM 0 HB ILE A 64 -6.337 -2.224 -8.786 1.00 0.41 H new ATOM 0 HG12 ILE A 64 -8.398 -4.323 -7.976 1.00 0.39 H new ATOM 0 HG13 ILE A 64 -6.673 -4.617 -8.071 1.00 0.39 H new ATOM 0 HG21 ILE A 64 -8.387 -1.283 -7.766 1.00 0.42 H new ATOM 0 HG22 ILE A 64 -8.305 -0.919 -9.507 1.00 0.42 H new ATOM 0 HG23 ILE A 64 -9.383 -2.207 -8.916 1.00 0.42 H new ATOM 0 HD11 ILE A 64 -7.363 -4.187 -5.745 1.00 0.56 H new ATOM 0 HD12 ILE A 64 -6.271 -2.902 -6.316 1.00 0.56 H new ATOM 0 HD13 ILE A 64 -8.023 -2.604 -6.220 1.00 0.56 H new ATOM 951 N GLU A 65 -6.161 -1.668 -11.699 1.00 0.54 N ATOM 952 CA GLU A 65 -6.086 -0.655 -12.740 1.00 0.59 C ATOM 953 C GLU A 65 -6.370 -1.229 -14.129 1.00 0.64 C ATOM 954 O GLU A 65 -7.190 -0.680 -14.865 1.00 0.68 O ATOM 955 CB GLU A 65 -4.782 0.142 -12.655 1.00 0.73 C ATOM 956 CG GLU A 65 -4.752 0.959 -11.352 1.00 0.78 C ATOM 957 CD GLU A 65 -3.595 1.951 -11.304 1.00 1.11 C ATOM 958 OE1 GLU A 65 -3.034 2.243 -12.381 1.00 1.59 O ATOM 959 OE2 GLU A 65 -3.288 2.391 -10.174 1.00 1.72 O ATOM 0 H GLU A 65 -5.286 -1.851 -11.208 1.00 0.54 H new ATOM 0 HA GLU A 65 -6.887 0.063 -12.562 1.00 0.59 H new ATOM 0 HB2 GLU A 65 -3.929 -0.535 -12.690 1.00 0.73 H new ATOM 0 HB3 GLU A 65 -4.696 0.808 -13.514 1.00 0.73 H new ATOM 0 HG2 GLU A 65 -5.693 1.499 -11.245 1.00 0.78 H new ATOM 0 HG3 GLU A 65 -4.677 0.279 -10.504 1.00 0.78 H new ATOM 966 N LYS A 66 -5.750 -2.353 -14.493 1.00 0.67 N ATOM 967 CA LYS A 66 -5.993 -2.983 -15.787 1.00 0.75 C ATOM 968 C LYS A 66 -7.452 -3.406 -15.951 1.00 0.73 C ATOM 969 O LYS A 66 -7.957 -3.428 -17.071 1.00 0.79 O ATOM 970 CB LYS A 66 -5.079 -4.182 -16.013 1.00 0.79 C ATOM 971 CG LYS A 66 -3.618 -3.743 -15.958 1.00 1.22 C ATOM 972 CD LYS A 66 -2.715 -4.262 -17.092 1.00 1.33 C ATOM 973 CE LYS A 66 -1.323 -4.280 -16.455 1.00 1.84 C ATOM 974 NZ LYS A 66 -0.155 -4.434 -17.339 1.00 2.39 N ATOM 0 H LYS A 66 -5.075 -2.845 -13.907 1.00 0.67 H new ATOM 0 HA LYS A 66 -5.767 -2.228 -16.541 1.00 0.75 H new ATOM 0 HB2 LYS A 66 -5.268 -4.942 -15.254 1.00 0.79 H new ATOM 0 HB3 LYS A 66 -5.294 -4.637 -16.980 1.00 0.79 H new ATOM 0 HG2 LYS A 66 -3.586 -2.653 -15.964 1.00 1.22 H new ATOM 0 HG3 LYS A 66 -3.197 -4.069 -15.007 1.00 1.22 H new ATOM 0 HD2 LYS A 66 -3.018 -5.255 -17.425 1.00 1.33 H new ATOM 0 HD3 LYS A 66 -2.750 -3.609 -17.964 1.00 1.33 H new ATOM 0 HE2 LYS A 66 -1.199 -3.351 -15.899 1.00 1.84 H new ATOM 0 HE3 LYS A 66 -1.300 -5.092 -15.728 1.00 1.84 H new ATOM 0 HZ1 LYS A 66 0.717 -4.377 -16.775 1.00 2.39 H new ATOM 0 HZ2 LYS A 66 -0.200 -5.357 -17.816 1.00 2.39 H new ATOM 0 HZ3 LYS A 66 -0.156 -3.676 -18.051 1.00 2.39 H new ATOM 988 N LEU A 67 -8.140 -3.736 -14.853 1.00 0.66 N ATOM 989 CA LEU A 67 -9.564 -4.024 -14.889 1.00 0.66 C ATOM 990 C LEU A 67 -10.408 -2.773 -15.205 1.00 0.67 C ATOM 991 O LEU A 67 -11.622 -2.885 -15.358 1.00 0.73 O ATOM 992 CB LEU A 67 -9.982 -4.717 -13.586 1.00 0.59 C ATOM 993 CG LEU A 67 -9.979 -6.253 -13.710 1.00 0.67 C ATOM 994 CD1 LEU A 67 -9.191 -6.880 -12.567 1.00 1.66 C ATOM 995 CD2 LEU A 67 -11.415 -6.785 -13.698 1.00 1.91 C ATOM 0 H LEU A 67 -7.723 -3.809 -13.925 1.00 0.66 H new ATOM 0 HA LEU A 67 -9.761 -4.710 -15.713 1.00 0.66 H new ATOM 0 HB2 LEU A 67 -9.305 -4.419 -12.786 1.00 0.59 H new ATOM 0 HB3 LEU A 67 -10.979 -4.380 -13.302 1.00 0.59 H new ATOM 0 HG LEU A 67 -9.504 -6.521 -14.654 1.00 0.67 H new ATOM 0 HD11 LEU A 67 -9.200 -7.965 -12.671 1.00 1.66 H new ATOM 0 HD12 LEU A 67 -8.162 -6.521 -12.595 1.00 1.66 H new ATOM 0 HD13 LEU A 67 -9.646 -6.603 -11.616 1.00 1.66 H new ATOM 0 HD21 LEU A 67 -11.401 -7.871 -13.786 1.00 1.91 H new ATOM 0 HD22 LEU A 67 -11.900 -6.503 -12.763 1.00 1.91 H new ATOM 0 HD23 LEU A 67 -11.967 -6.360 -14.536 1.00 1.91 H new ATOM 1007 N GLY A 68 -9.782 -1.599 -15.346 1.00 0.67 N ATOM 1008 CA GLY A 68 -10.415 -0.380 -15.825 1.00 0.71 C ATOM 1009 C GLY A 68 -10.960 0.445 -14.665 1.00 0.72 C ATOM 1010 O GLY A 68 -12.030 1.040 -14.779 1.00 0.83 O ATOM 0 H GLY A 68 -8.795 -1.475 -15.122 1.00 0.67 H new ATOM 0 HA2 GLY A 68 -9.693 0.211 -16.389 1.00 0.71 H new ATOM 0 HA3 GLY A 68 -11.225 -0.632 -16.509 1.00 0.71 H new ATOM 1014 N TYR A 69 -10.220 0.482 -13.554 1.00 0.68 N ATOM 1015 CA TYR A 69 -10.589 1.185 -12.331 1.00 0.66 C ATOM 1016 C TYR A 69 -9.404 2.023 -11.854 1.00 0.60 C ATOM 1017 O TYR A 69 -8.351 2.021 -12.484 1.00 0.63 O ATOM 1018 CB TYR A 69 -11.030 0.173 -11.265 1.00 0.66 C ATOM 1019 CG TYR A 69 -12.063 -0.835 -11.734 1.00 0.72 C ATOM 1020 CD1 TYR A 69 -13.256 -0.403 -12.343 1.00 1.81 C ATOM 1021 CD2 TYR A 69 -11.812 -2.213 -11.600 1.00 1.83 C ATOM 1022 CE1 TYR A 69 -14.147 -1.340 -12.893 1.00 1.76 C ATOM 1023 CE2 TYR A 69 -12.769 -3.144 -12.038 1.00 2.10 C ATOM 1024 CZ TYR A 69 -13.897 -2.715 -12.747 1.00 1.21 C ATOM 1025 OH TYR A 69 -14.787 -3.640 -13.203 1.00 1.52 O ATOM 0 H TYR A 69 -9.320 0.007 -13.483 1.00 0.68 H new ATOM 0 HA TYR A 69 -11.427 1.855 -12.521 1.00 0.66 H new ATOM 0 HB2 TYR A 69 -10.152 -0.366 -10.910 1.00 0.66 H new ATOM 0 HB3 TYR A 69 -11.435 0.718 -10.412 1.00 0.66 H new ATOM 0 HD1 TYR A 69 -13.487 0.651 -12.388 1.00 1.81 H new ATOM 0 HD2 TYR A 69 -10.886 -2.554 -11.162 1.00 1.83 H new ATOM 0 HE1 TYR A 69 -15.023 -1.004 -13.427 1.00 1.76 H new ATOM 0 HE2 TYR A 69 -12.634 -4.194 -11.827 1.00 2.10 H new ATOM 0 HH TYR A 69 -15.674 -3.451 -12.833 1.00 1.52 H new ATOM 1035 N HIS A 70 -9.581 2.758 -10.753 1.00 0.54 N ATOM 1036 CA HIS A 70 -8.500 3.454 -10.070 1.00 0.44 C ATOM 1037 C HIS A 70 -8.632 3.204 -8.571 1.00 0.34 C ATOM 1038 O HIS A 70 -9.742 3.190 -8.034 1.00 0.44 O ATOM 1039 CB HIS A 70 -8.535 4.953 -10.385 1.00 0.60 C ATOM 1040 CG HIS A 70 -7.974 5.288 -11.745 1.00 0.61 C ATOM 1041 ND1 HIS A 70 -8.689 5.415 -12.915 1.00 2.04 N ATOM 1042 CD2 HIS A 70 -6.658 5.534 -12.035 1.00 1.53 C ATOM 1043 CE1 HIS A 70 -7.816 5.742 -13.884 1.00 1.97 C ATOM 1044 NE2 HIS A 70 -6.570 5.837 -13.396 1.00 1.30 N ATOM 0 H HIS A 70 -10.491 2.885 -10.310 1.00 0.54 H new ATOM 0 HA HIS A 70 -7.539 3.075 -10.417 1.00 0.44 H new ATOM 0 HB2 HIS A 70 -9.565 5.306 -10.327 1.00 0.60 H new ATOM 0 HB3 HIS A 70 -7.970 5.491 -9.624 1.00 0.60 H new ATOM 0 HD2 HIS A 70 -5.835 5.500 -11.336 1.00 1.53 H new ATOM 0 HE1 HIS A 70 -8.082 5.906 -14.918 1.00 1.97 H new ATOM 0 HE2 HIS A 70 -5.727 6.082 -13.915 1.00 1.30 H new ATOM 1052 N VAL A 71 -7.497 3.005 -7.902 1.00 0.37 N ATOM 1053 CA VAL A 71 -7.412 2.877 -6.457 1.00 0.41 C ATOM 1054 C VAL A 71 -7.343 4.273 -5.844 1.00 0.43 C ATOM 1055 O VAL A 71 -6.800 5.188 -6.459 1.00 0.48 O ATOM 1056 CB VAL A 71 -6.205 1.998 -6.085 1.00 0.47 C ATOM 1057 CG1 VAL A 71 -6.446 0.549 -6.519 1.00 0.53 C ATOM 1058 CG2 VAL A 71 -4.882 2.487 -6.698 1.00 0.50 C ATOM 0 H VAL A 71 -6.592 2.927 -8.366 1.00 0.37 H new ATOM 0 HA VAL A 71 -8.296 2.382 -6.055 1.00 0.41 H new ATOM 0 HB VAL A 71 -6.109 2.065 -5.001 1.00 0.47 H new ATOM 0 HG11 VAL A 71 -5.583 -0.060 -6.249 1.00 0.53 H new ATOM 0 HG12 VAL A 71 -7.334 0.162 -6.019 1.00 0.53 H new ATOM 0 HG13 VAL A 71 -6.592 0.512 -7.598 1.00 0.53 H new ATOM 0 HG21 VAL A 71 -4.073 1.822 -6.395 1.00 0.50 H new ATOM 0 HG22 VAL A 71 -4.963 2.488 -7.785 1.00 0.50 H new ATOM 0 HG23 VAL A 71 -4.671 3.498 -6.349 1.00 0.50 H new ATOM 1068 N VAL A 72 -7.871 4.458 -4.629 1.00 0.46 N ATOM 1069 CA VAL A 72 -7.920 5.773 -3.992 1.00 0.51 C ATOM 1070 C VAL A 72 -6.567 6.035 -3.306 1.00 0.51 C ATOM 1071 O VAL A 72 -6.490 6.526 -2.185 1.00 0.87 O ATOM 1072 CB VAL A 72 -9.157 5.826 -3.065 1.00 0.63 C ATOM 1073 CG1 VAL A 72 -9.365 7.188 -2.379 1.00 0.75 C ATOM 1074 CG2 VAL A 72 -10.436 5.532 -3.863 1.00 0.70 C ATOM 0 H VAL A 72 -8.272 3.707 -4.067 1.00 0.46 H new ATOM 0 HA VAL A 72 -8.052 6.587 -4.705 1.00 0.51 H new ATOM 0 HB VAL A 72 -8.966 5.075 -2.298 1.00 0.63 H new ATOM 0 HG11 VAL A 72 -10.252 7.145 -1.746 1.00 0.75 H new ATOM 0 HG12 VAL A 72 -8.494 7.424 -1.768 1.00 0.75 H new ATOM 0 HG13 VAL A 72 -9.497 7.961 -3.137 1.00 0.75 H new ATOM 0 HG21 VAL A 72 -11.298 5.573 -3.197 1.00 0.70 H new ATOM 0 HG22 VAL A 72 -10.551 6.275 -4.652 1.00 0.70 H new ATOM 0 HG23 VAL A 72 -10.368 4.539 -4.307 1.00 0.70 H new ATOM 1084 N THR A 73 -5.476 5.698 -3.993 1.00 0.61 N ATOM 1085 CA THR A 73 -4.128 5.701 -3.453 1.00 0.59 C ATOM 1086 C THR A 73 -3.398 6.935 -3.971 1.00 0.62 C ATOM 1087 O THR A 73 -3.656 7.369 -5.092 1.00 0.73 O ATOM 1088 CB THR A 73 -3.418 4.404 -3.856 1.00 0.61 C ATOM 1089 OG1 THR A 73 -4.323 3.318 -3.797 1.00 0.73 O ATOM 1090 CG2 THR A 73 -2.293 4.079 -2.880 1.00 0.81 C ATOM 0 H THR A 73 -5.513 5.407 -4.970 1.00 0.61 H new ATOM 0 HA THR A 73 -4.143 5.744 -2.364 1.00 0.59 H new ATOM 0 HB THR A 73 -3.029 4.547 -4.864 1.00 0.61 H new ATOM 0 HG1 THR A 73 -4.541 3.124 -2.861 1.00 0.73 H new ATOM 0 HG21 THR A 73 -1.803 3.155 -3.185 1.00 0.81 H new ATOM 0 HG22 THR A 73 -1.567 4.892 -2.878 1.00 0.81 H new ATOM 0 HG23 THR A 73 -2.704 3.958 -1.878 1.00 0.81 H new ATOM 1098 N GLU A 74 -2.505 7.507 -3.161 1.00 0.66 N ATOM 1099 CA GLU A 74 -1.820 8.744 -3.473 1.00 0.70 C ATOM 1100 C GLU A 74 -0.342 8.598 -3.112 1.00 0.58 C ATOM 1101 O GLU A 74 -0.007 7.922 -2.137 1.00 0.61 O ATOM 1102 CB GLU A 74 -2.477 9.876 -2.683 1.00 0.87 C ATOM 1103 CG GLU A 74 -2.182 11.242 -3.305 1.00 1.85 C ATOM 1104 CD GLU A 74 -2.427 12.331 -2.274 1.00 2.65 C ATOM 1105 OE1 GLU A 74 -1.560 12.445 -1.382 1.00 3.64 O ATOM 1106 OE2 GLU A 74 -3.489 12.979 -2.369 1.00 3.24 O ATOM 0 H GLU A 74 -2.240 7.111 -2.259 1.00 0.66 H new ATOM 0 HA GLU A 74 -1.890 8.974 -4.536 1.00 0.70 H new ATOM 0 HB2 GLU A 74 -3.555 9.717 -2.647 1.00 0.87 H new ATOM 0 HB3 GLU A 74 -2.117 9.859 -1.654 1.00 0.87 H new ATOM 0 HG2 GLU A 74 -1.149 11.280 -3.652 1.00 1.85 H new ATOM 0 HG3 GLU A 74 -2.817 11.402 -4.176 1.00 1.85 H new ATOM 1113 N LYS A 75 0.514 9.224 -3.924 1.00 0.58 N ATOM 1114 CA LYS A 75 1.962 9.244 -3.791 1.00 0.55 C ATOM 1115 C LYS A 75 2.384 10.524 -3.068 1.00 0.54 C ATOM 1116 O LYS A 75 2.623 11.551 -3.697 1.00 0.67 O ATOM 1117 CB LYS A 75 2.602 9.013 -5.171 1.00 0.67 C ATOM 1118 CG LYS A 75 2.450 10.157 -6.172 1.00 0.81 C ATOM 1119 CD LYS A 75 2.740 9.647 -7.590 1.00 1.01 C ATOM 1120 CE LYS A 75 2.575 10.757 -8.637 1.00 1.95 C ATOM 1121 NZ LYS A 75 3.455 11.914 -8.368 1.00 2.78 N ATOM 0 H LYS A 75 0.193 9.757 -4.732 1.00 0.58 H new ATOM 0 HA LYS A 75 2.330 8.429 -3.167 1.00 0.55 H new ATOM 0 HB2 LYS A 75 3.665 8.817 -5.030 1.00 0.67 H new ATOM 0 HB3 LYS A 75 2.167 8.113 -5.607 1.00 0.67 H new ATOM 0 HG2 LYS A 75 1.441 10.565 -6.122 1.00 0.81 H new ATOM 0 HG3 LYS A 75 3.134 10.967 -5.920 1.00 0.81 H new ATOM 0 HD2 LYS A 75 3.755 9.253 -7.634 1.00 1.01 H new ATOM 0 HD3 LYS A 75 2.067 8.822 -7.825 1.00 1.01 H new ATOM 0 HE2 LYS A 75 2.796 10.357 -9.626 1.00 1.95 H new ATOM 0 HE3 LYS A 75 1.537 11.088 -8.652 1.00 1.95 H new ATOM 0 HZ1 LYS A 75 3.437 12.560 -9.183 1.00 2.78 H new ATOM 0 HZ2 LYS A 75 3.120 12.415 -7.521 1.00 2.78 H new ATOM 0 HZ3 LYS A 75 4.428 11.581 -8.211 1.00 2.78 H new ATOM 1135 N ALA A 76 2.451 10.458 -1.738 1.00 0.48 N ATOM 1136 CA ALA A 76 2.861 11.607 -0.925 1.00 0.50 C ATOM 1137 C ALA A 76 4.375 11.554 -0.701 1.00 0.50 C ATOM 1138 O ALA A 76 4.942 10.464 -0.725 1.00 0.57 O ATOM 1139 CB ALA A 76 2.083 11.614 0.392 1.00 0.52 C ATOM 0 H ALA A 76 2.227 9.621 -1.199 1.00 0.48 H new ATOM 0 HA ALA A 76 2.632 12.538 -1.443 1.00 0.50 H new ATOM 0 HB1 ALA A 76 2.392 12.470 0.992 1.00 0.52 H new ATOM 0 HB2 ALA A 76 1.015 11.683 0.184 1.00 0.52 H new ATOM 0 HB3 ALA A 76 2.287 10.694 0.940 1.00 0.52 H new ATOM 1145 N GLU A 77 5.038 12.694 -0.494 1.00 0.56 N ATOM 1146 CA GLU A 77 6.476 12.806 -0.323 1.00 0.59 C ATOM 1147 C GLU A 77 6.817 13.173 1.120 1.00 0.47 C ATOM 1148 O GLU A 77 6.371 14.190 1.659 1.00 0.55 O ATOM 1149 CB GLU A 77 7.019 13.871 -1.283 1.00 0.85 C ATOM 1150 CG GLU A 77 7.532 13.241 -2.579 1.00 0.93 C ATOM 1151 CD GLU A 77 8.926 12.657 -2.366 1.00 1.78 C ATOM 1152 OE1 GLU A 77 9.886 13.457 -2.341 1.00 2.76 O ATOM 1153 OE2 GLU A 77 9.003 11.423 -2.193 1.00 2.92 O ATOM 0 H GLU A 77 4.563 13.595 -0.440 1.00 0.56 H new ATOM 0 HA GLU A 77 6.938 11.845 -0.548 1.00 0.59 H new ATOM 0 HB2 GLU A 77 6.234 14.591 -1.512 1.00 0.85 H new ATOM 0 HB3 GLU A 77 7.826 14.422 -0.800 1.00 0.85 H new ATOM 0 HG2 GLU A 77 6.848 12.458 -2.907 1.00 0.93 H new ATOM 0 HG3 GLU A 77 7.561 13.991 -3.370 1.00 0.93 H new ATOM 1160 N PHE A 78 7.649 12.340 1.738 1.00 0.44 N ATOM 1161 CA PHE A 78 8.104 12.502 3.101 1.00 0.37 C ATOM 1162 C PHE A 78 9.627 12.603 3.121 1.00 0.39 C ATOM 1163 O PHE A 78 10.313 12.113 2.228 1.00 0.63 O ATOM 1164 CB PHE A 78 7.597 11.331 3.943 1.00 0.45 C ATOM 1165 CG PHE A 78 6.170 11.489 4.437 1.00 0.39 C ATOM 1166 CD1 PHE A 78 5.084 11.491 3.542 1.00 1.85 C ATOM 1167 CD2 PHE A 78 5.941 11.754 5.796 1.00 2.06 C ATOM 1168 CE1 PHE A 78 3.798 11.835 3.991 1.00 1.72 C ATOM 1169 CE2 PHE A 78 4.662 12.094 6.247 1.00 2.32 C ATOM 1170 CZ PHE A 78 3.593 12.161 5.340 1.00 0.94 C ATOM 0 H PHE A 78 8.032 11.511 1.284 1.00 0.44 H new ATOM 0 HA PHE A 78 7.706 13.422 3.530 1.00 0.37 H new ATOM 0 HB2 PHE A 78 7.666 10.417 3.352 1.00 0.45 H new ATOM 0 HB3 PHE A 78 8.255 11.205 4.803 1.00 0.45 H new ATOM 0 HD1 PHE A 78 5.240 11.227 2.506 1.00 1.85 H new ATOM 0 HD2 PHE A 78 6.759 11.695 6.499 1.00 2.06 H new ATOM 0 HE1 PHE A 78 2.969 11.848 3.299 1.00 1.72 H new ATOM 0 HE2 PHE A 78 4.497 12.305 7.293 1.00 2.32 H new ATOM 0 HZ PHE A 78 2.614 12.463 5.680 1.00 0.94 H new ATOM 1180 N ASP A 79 10.136 13.269 4.151 1.00 0.32 N ATOM 1181 CA ASP A 79 11.546 13.514 4.444 1.00 0.35 C ATOM 1182 C ASP A 79 11.912 12.770 5.731 1.00 0.37 C ATOM 1183 O ASP A 79 11.060 12.650 6.602 1.00 0.46 O ATOM 1184 CB ASP A 79 11.701 15.041 4.477 1.00 0.41 C ATOM 1185 CG ASP A 79 12.690 15.678 5.437 1.00 0.99 C ATOM 1186 OD1 ASP A 79 13.672 15.013 5.815 1.00 1.94 O ATOM 1187 OD2 ASP A 79 12.434 16.872 5.725 1.00 2.41 O ATOM 0 H ASP A 79 9.529 13.684 4.858 1.00 0.32 H new ATOM 0 HA ASP A 79 12.247 13.132 3.702 1.00 0.35 H new ATOM 0 HB2 ASP A 79 11.971 15.362 3.471 1.00 0.41 H new ATOM 0 HB3 ASP A 79 10.720 15.463 4.694 1.00 0.41 H new ATOM 1192 N ILE A 80 13.094 12.152 5.823 1.00 0.37 N ATOM 1193 CA ILE A 80 13.421 11.236 6.906 1.00 0.39 C ATOM 1194 C ILE A 80 14.702 11.685 7.607 1.00 0.46 C ATOM 1195 O ILE A 80 15.743 11.791 6.961 1.00 0.62 O ATOM 1196 CB ILE A 80 13.600 9.823 6.343 1.00 0.50 C ATOM 1197 CG1 ILE A 80 12.690 9.545 5.138 1.00 0.42 C ATOM 1198 CG2 ILE A 80 13.357 8.805 7.467 1.00 0.78 C ATOM 1199 CD1 ILE A 80 13.048 8.213 4.511 1.00 0.58 C ATOM 0 H ILE A 80 13.847 12.277 5.146 1.00 0.37 H new ATOM 0 HA ILE A 80 12.608 11.235 7.632 1.00 0.39 H new ATOM 0 HB ILE A 80 14.621 9.730 5.973 1.00 0.50 H new ATOM 0 HG12 ILE A 80 11.647 9.538 5.454 1.00 0.42 H new ATOM 0 HG13 ILE A 80 12.795 10.342 4.402 1.00 0.42 H new ATOM 0 HG21 ILE A 80 13.482 7.795 7.076 1.00 0.78 H new ATOM 0 HG22 ILE A 80 14.072 8.974 8.272 1.00 0.78 H new ATOM 0 HG23 ILE A 80 12.344 8.922 7.852 1.00 0.78 H new ATOM 0 HD11 ILE A 80 12.396 8.026 3.657 1.00 0.58 H new ATOM 0 HD12 ILE A 80 14.086 8.235 4.178 1.00 0.58 H new ATOM 0 HD13 ILE A 80 12.920 7.419 5.246 1.00 0.58 H new ATOM 1211 N GLU A 81 14.658 11.878 8.930 1.00 0.47 N ATOM 1212 CA GLU A 81 15.837 12.247 9.703 1.00 0.62 C ATOM 1213 C GLU A 81 16.164 11.088 10.648 1.00 0.74 C ATOM 1214 O GLU A 81 15.382 10.782 11.553 1.00 1.27 O ATOM 1215 CB GLU A 81 15.606 13.560 10.464 1.00 0.79 C ATOM 1216 CG GLU A 81 14.867 14.629 9.652 1.00 1.34 C ATOM 1217 CD GLU A 81 14.552 15.855 10.501 1.00 1.41 C ATOM 1218 OE1 GLU A 81 13.943 15.669 11.577 1.00 1.88 O ATOM 1219 OE2 GLU A 81 14.883 16.980 10.066 1.00 2.17 O ATOM 0 H GLU A 81 13.809 11.782 9.486 1.00 0.47 H new ATOM 0 HA GLU A 81 16.685 12.423 9.041 1.00 0.62 H new ATOM 0 HB2 GLU A 81 15.037 13.348 11.369 1.00 0.79 H new ATOM 0 HB3 GLU A 81 16.570 13.960 10.779 1.00 0.79 H new ATOM 0 HG2 GLU A 81 15.475 14.924 8.797 1.00 1.34 H new ATOM 0 HG3 GLU A 81 13.941 14.212 9.256 1.00 1.34 H new ATOM 1226 N GLY A 82 17.311 10.435 10.439 1.00 0.86 N ATOM 1227 CA GLY A 82 17.756 9.356 11.309 1.00 1.07 C ATOM 1228 C GLY A 82 18.891 8.541 10.695 1.00 1.14 C ATOM 1229 O GLY A 82 19.887 8.271 11.362 1.00 1.60 O ATOM 0 H GLY A 82 17.947 10.641 9.669 1.00 0.86 H new ATOM 0 HA2 GLY A 82 18.086 9.773 12.260 1.00 1.07 H new ATOM 0 HA3 GLY A 82 16.915 8.697 11.525 1.00 1.07 H new ATOM 1233 N MET A 83 18.726 8.109 9.441 1.00 0.96 N ATOM 1234 CA MET A 83 19.632 7.175 8.795 1.00 1.13 C ATOM 1235 C MET A 83 21.061 7.717 8.715 1.00 1.26 C ATOM 1236 O MET A 83 21.331 8.662 7.980 1.00 1.68 O ATOM 1237 CB MET A 83 19.116 6.809 7.393 1.00 1.30 C ATOM 1238 CG MET A 83 17.616 6.478 7.340 1.00 2.09 C ATOM 1239 SD MET A 83 16.502 7.795 6.804 1.00 2.83 S ATOM 1240 CE MET A 83 17.014 7.998 5.083 1.00 2.98 C ATOM 0 H MET A 83 17.951 8.405 8.847 1.00 0.96 H new ATOM 0 HA MET A 83 19.662 6.276 9.410 1.00 1.13 H new ATOM 0 HB2 MET A 83 19.318 7.639 6.716 1.00 1.30 H new ATOM 0 HB3 MET A 83 19.679 5.952 7.023 1.00 1.30 H new ATOM 0 HG2 MET A 83 17.481 5.627 6.672 1.00 2.09 H new ATOM 0 HG3 MET A 83 17.305 6.155 8.334 1.00 2.09 H new ATOM 0 HE1 MET A 83 16.316 8.661 4.571 1.00 2.98 H new ATOM 0 HE2 MET A 83 18.014 8.429 5.049 1.00 2.98 H new ATOM 0 HE3 MET A 83 17.021 7.027 4.588 1.00 2.98 H new ATOM 1285 N ALA A 87 21.097 1.309 6.304 1.00 1.39 N ATOM 1286 CA ALA A 87 20.531 0.271 7.155 1.00 0.95 C ATOM 1287 C ALA A 87 19.169 0.727 7.675 1.00 0.86 C ATOM 1288 O ALA A 87 18.174 0.011 7.554 1.00 0.86 O ATOM 1289 CB ALA A 87 21.496 -0.020 8.306 1.00 2.10 C ATOM 0 HA ALA A 87 20.388 -0.648 6.586 1.00 0.95 H new ATOM 0 HB1 ALA A 87 21.076 -0.796 8.945 1.00 2.10 H new ATOM 0 HB2 ALA A 87 22.451 -0.358 7.904 1.00 2.10 H new ATOM 0 HB3 ALA A 87 21.650 0.887 8.890 1.00 2.10 H new ATOM 1295 N CYS A 88 19.104 1.944 8.225 1.00 0.81 N ATOM 1296 CA CYS A 88 17.869 2.470 8.781 1.00 0.68 C ATOM 1297 C CYS A 88 16.861 2.620 7.642 1.00 0.65 C ATOM 1298 O CYS A 88 15.695 2.270 7.790 1.00 0.55 O ATOM 1299 CB CYS A 88 18.173 3.816 9.437 1.00 0.71 C ATOM 1300 SG CYS A 88 19.310 3.652 10.841 1.00 0.82 S ATOM 0 H CYS A 88 19.899 2.579 8.293 1.00 0.81 H new ATOM 0 HA CYS A 88 17.449 1.804 9.535 1.00 0.68 H new ATOM 0 HB2 CYS A 88 18.606 4.489 8.697 1.00 0.71 H new ATOM 0 HB3 CYS A 88 17.243 4.271 9.776 1.00 0.71 H new ATOM 0 HG CYS A 88 18.707 4.019 11.933 1.00 0.82 H new ATOM 1306 N ALA A 89 17.330 3.080 6.476 1.00 0.81 N ATOM 1307 CA ALA A 89 16.516 3.175 5.272 1.00 0.87 C ATOM 1308 C ALA A 89 16.015 1.794 4.851 1.00 0.85 C ATOM 1309 O ALA A 89 14.868 1.650 4.447 1.00 0.80 O ATOM 1310 CB ALA A 89 17.330 3.814 4.145 1.00 1.07 C ATOM 0 H ALA A 89 18.291 3.397 6.347 1.00 0.81 H new ATOM 0 HA ALA A 89 15.649 3.801 5.483 1.00 0.87 H new ATOM 0 HB1 ALA A 89 16.716 3.883 3.247 1.00 1.07 H new ATOM 0 HB2 ALA A 89 17.646 4.813 4.446 1.00 1.07 H new ATOM 0 HB3 ALA A 89 18.208 3.202 3.939 1.00 1.07 H new ATOM 1316 N ASN A 90 16.853 0.761 4.958 1.00 0.92 N ATOM 1317 CA ASN A 90 16.445 -0.593 4.603 1.00 0.97 C ATOM 1318 C ASN A 90 15.294 -1.031 5.513 1.00 0.78 C ATOM 1319 O ASN A 90 14.267 -1.522 5.043 1.00 0.72 O ATOM 1320 CB ASN A 90 17.636 -1.568 4.681 1.00 1.20 C ATOM 1321 CG ASN A 90 18.229 -1.865 3.306 1.00 1.57 C ATOM 1322 OD1 ASN A 90 17.656 -2.650 2.556 1.00 2.88 O ATOM 1323 ND2 ASN A 90 19.369 -1.281 2.958 1.00 1.35 N ATOM 0 H ASN A 90 17.815 0.839 5.287 1.00 0.92 H new ATOM 0 HA ASN A 90 16.095 -0.605 3.571 1.00 0.97 H new ATOM 0 HB2 ASN A 90 18.408 -1.145 5.324 1.00 1.20 H new ATOM 0 HB3 ASN A 90 17.311 -2.500 5.144 1.00 1.20 H new ATOM 0 HD21 ASN A 90 19.788 -1.481 2.050 1.00 1.35 H new ATOM 0 HD22 ASN A 90 19.826 -0.632 3.599 1.00 1.35 H new ATOM 1330 N ARG A 91 15.466 -0.835 6.823 1.00 0.74 N ATOM 1331 CA ARG A 91 14.447 -1.136 7.821 1.00 0.69 C ATOM 1332 C ARG A 91 13.148 -0.384 7.510 1.00 0.57 C ATOM 1333 O ARG A 91 12.091 -0.998 7.356 1.00 0.55 O ATOM 1334 CB ARG A 91 14.963 -0.748 9.216 1.00 0.71 C ATOM 1335 CG ARG A 91 15.989 -1.729 9.808 1.00 1.09 C ATOM 1336 CD ARG A 91 15.431 -2.550 10.985 1.00 1.67 C ATOM 1337 NE ARG A 91 14.821 -3.821 10.560 1.00 2.27 N ATOM 1338 CZ ARG A 91 14.342 -4.744 11.413 1.00 3.24 C ATOM 1339 NH1 ARG A 91 14.182 -4.436 12.706 1.00 3.95 N ATOM 1340 NH2 ARG A 91 14.034 -5.972 10.979 1.00 4.25 N ATOM 0 H ARG A 91 16.327 -0.459 7.220 1.00 0.74 H new ATOM 0 HA ARG A 91 14.236 -2.205 7.798 1.00 0.69 H new ATOM 0 HB2 ARG A 91 15.415 0.242 9.161 1.00 0.71 H new ATOM 0 HB3 ARG A 91 14.115 -0.674 9.896 1.00 0.71 H new ATOM 0 HG2 ARG A 91 16.326 -2.409 9.026 1.00 1.09 H new ATOM 0 HG3 ARG A 91 16.864 -1.172 10.144 1.00 1.09 H new ATOM 0 HD2 ARG A 91 16.236 -2.757 11.690 1.00 1.67 H new ATOM 0 HD3 ARG A 91 14.687 -1.956 11.516 1.00 1.67 H new ATOM 0 HE ARG A 91 14.758 -4.013 9.560 1.00 2.27 H new ATOM 0 HH11 ARG A 91 14.423 -3.504 13.042 1.00 3.95 H new ATOM 0 HH12 ARG A 91 13.819 -5.134 13.355 1.00 3.95 H new ATOM 0 HH21 ARG A 91 14.162 -6.213 9.996 1.00 4.25 H new ATOM 0 HH22 ARG A 91 13.671 -6.667 11.631 1.00 4.25 H new ATOM 1354 N ILE A 92 13.219 0.947 7.449 1.00 0.56 N ATOM 1355 CA ILE A 92 12.029 1.768 7.270 1.00 0.56 C ATOM 1356 C ILE A 92 11.362 1.481 5.922 1.00 0.55 C ATOM 1357 O ILE A 92 10.137 1.431 5.861 1.00 0.56 O ATOM 1358 CB ILE A 92 12.306 3.265 7.509 1.00 0.67 C ATOM 1359 CG1 ILE A 92 13.345 3.870 6.569 1.00 1.45 C ATOM 1360 CG2 ILE A 92 12.687 3.530 8.968 1.00 1.90 C ATOM 1361 CD1 ILE A 92 12.726 4.899 5.624 1.00 1.71 C ATOM 0 H ILE A 92 14.089 1.475 7.521 1.00 0.56 H new ATOM 0 HA ILE A 92 11.311 1.486 8.041 1.00 0.56 H new ATOM 0 HB ILE A 92 11.367 3.769 7.281 1.00 0.67 H new ATOM 0 HG12 ILE A 92 14.133 4.343 7.155 1.00 1.45 H new ATOM 0 HG13 ILE A 92 13.813 3.077 5.986 1.00 1.45 H new ATOM 0 HG21 ILE A 92 12.877 4.594 9.107 1.00 1.90 H new ATOM 0 HG22 ILE A 92 11.870 3.219 9.620 1.00 1.90 H new ATOM 0 HG23 ILE A 92 13.586 2.966 9.218 1.00 1.90 H new ATOM 0 HD11 ILE A 92 13.499 5.306 4.972 1.00 1.71 H new ATOM 0 HD12 ILE A 92 11.956 4.420 5.019 1.00 1.71 H new ATOM 0 HD13 ILE A 92 12.281 5.706 6.206 1.00 1.71 H new ATOM 1373 N GLU A 93 12.144 1.224 4.868 1.00 0.58 N ATOM 1374 CA GLU A 93 11.645 0.852 3.559 1.00 0.61 C ATOM 1375 C GLU A 93 10.789 -0.393 3.720 1.00 0.58 C ATOM 1376 O GLU A 93 9.592 -0.360 3.447 1.00 0.59 O ATOM 1377 CB GLU A 93 12.834 0.590 2.623 1.00 0.69 C ATOM 1378 CG GLU A 93 12.410 0.070 1.250 1.00 0.80 C ATOM 1379 CD GLU A 93 13.584 -0.543 0.504 1.00 1.51 C ATOM 1380 OE1 GLU A 93 14.161 -1.497 1.074 1.00 2.34 O ATOM 1381 OE2 GLU A 93 13.877 -0.075 -0.612 1.00 2.41 O ATOM 0 H GLU A 93 13.162 1.273 4.912 1.00 0.58 H new ATOM 0 HA GLU A 93 11.042 1.649 3.125 1.00 0.61 H new ATOM 0 HB2 GLU A 93 13.400 1.513 2.497 1.00 0.69 H new ATOM 0 HB3 GLU A 93 13.503 -0.133 3.089 1.00 0.69 H new ATOM 0 HG2 GLU A 93 11.623 -0.675 1.368 1.00 0.80 H new ATOM 0 HG3 GLU A 93 11.990 0.887 0.663 1.00 0.80 H new ATOM 1388 N LYS A 94 11.395 -1.491 4.188 1.00 0.57 N ATOM 1389 CA LYS A 94 10.699 -2.764 4.316 1.00 0.56 C ATOM 1390 C LYS A 94 9.418 -2.628 5.144 1.00 0.52 C ATOM 1391 O LYS A 94 8.470 -3.381 4.923 1.00 0.58 O ATOM 1392 CB LYS A 94 11.638 -3.847 4.885 1.00 0.58 C ATOM 1393 CG LYS A 94 12.101 -4.834 3.802 1.00 0.81 C ATOM 1394 CD LYS A 94 12.979 -4.203 2.708 1.00 1.09 C ATOM 1395 CE LYS A 94 14.474 -4.282 3.041 1.00 2.11 C ATOM 1396 NZ LYS A 94 15.282 -3.647 1.982 1.00 3.29 N ATOM 0 H LYS A 94 12.371 -1.516 4.484 1.00 0.57 H new ATOM 0 HA LYS A 94 10.395 -3.080 3.318 1.00 0.56 H new ATOM 0 HB2 LYS A 94 12.508 -3.371 5.338 1.00 0.58 H new ATOM 0 HB3 LYS A 94 11.125 -4.392 5.677 1.00 0.58 H new ATOM 0 HG2 LYS A 94 12.657 -5.643 4.277 1.00 0.81 H new ATOM 0 HG3 LYS A 94 11.224 -5.281 3.335 1.00 0.81 H new ATOM 0 HD2 LYS A 94 12.793 -4.708 1.760 1.00 1.09 H new ATOM 0 HD3 LYS A 94 12.694 -3.160 2.574 1.00 1.09 H new ATOM 0 HE2 LYS A 94 14.665 -3.790 3.995 1.00 2.11 H new ATOM 0 HE3 LYS A 94 14.771 -5.325 3.155 1.00 2.11 H new ATOM 0 HZ1 LYS A 94 16.264 -3.544 2.309 1.00 3.29 H new ATOM 0 HZ2 LYS A 94 15.262 -4.239 1.127 1.00 3.29 H new ATOM 0 HZ3 LYS A 94 14.891 -2.709 1.762 1.00 3.29 H new ATOM 1410 N ARG A 95 9.385 -1.686 6.091 1.00 0.46 N ATOM 1411 CA ARG A 95 8.169 -1.390 6.834 1.00 0.44 C ATOM 1412 C ARG A 95 7.169 -0.658 5.945 1.00 0.43 C ATOM 1413 O ARG A 95 6.147 -1.231 5.564 1.00 0.47 O ATOM 1414 CB ARG A 95 8.512 -0.593 8.094 1.00 0.47 C ATOM 1415 CG ARG A 95 9.087 -1.530 9.160 1.00 0.77 C ATOM 1416 CD ARG A 95 7.948 -2.079 10.033 1.00 0.99 C ATOM 1417 NE ARG A 95 8.444 -2.965 11.098 1.00 1.48 N ATOM 1418 CZ ARG A 95 8.662 -4.284 10.974 1.00 1.82 C ATOM 1419 NH1 ARG A 95 8.551 -4.868 9.776 1.00 2.83 N ATOM 1420 NH2 ARG A 95 8.991 -5.009 12.049 1.00 2.57 N ATOM 0 H ARG A 95 10.190 -1.118 6.357 1.00 0.46 H new ATOM 0 HA ARG A 95 7.697 -2.321 7.149 1.00 0.44 H new ATOM 0 HB2 ARG A 95 9.234 0.188 7.856 1.00 0.47 H new ATOM 0 HB3 ARG A 95 7.620 -0.097 8.476 1.00 0.47 H new ATOM 0 HG2 ARG A 95 9.623 -2.352 8.685 1.00 0.77 H new ATOM 0 HG3 ARG A 95 9.807 -0.995 9.779 1.00 0.77 H new ATOM 0 HD2 ARG A 95 7.401 -1.248 10.479 1.00 0.99 H new ATOM 0 HD3 ARG A 95 7.243 -2.625 9.407 1.00 0.99 H new ATOM 0 HE ARG A 95 8.638 -2.542 12.006 1.00 1.48 H new ATOM 0 HH11 ARG A 95 8.301 -4.311 8.959 1.00 2.83 H new ATOM 0 HH12 ARG A 95 8.716 -5.870 9.680 1.00 2.83 H new ATOM 0 HH21 ARG A 95 9.076 -4.560 12.961 1.00 2.57 H new ATOM 0 HH22 ARG A 95 9.157 -6.011 11.957 1.00 2.57 H new ATOM 1434 N LEU A 96 7.479 0.604 5.627 1.00 0.42 N ATOM 1435 CA LEU A 96 6.639 1.500 4.839 1.00 0.47 C ATOM 1436 C LEU A 96 6.024 0.760 3.652 1.00 0.46 C ATOM 1437 O LEU A 96 4.815 0.825 3.450 1.00 0.46 O ATOM 1438 CB LEU A 96 7.424 2.744 4.420 1.00 0.54 C ATOM 1439 CG LEU A 96 7.425 3.762 5.574 1.00 0.50 C ATOM 1440 CD1 LEU A 96 8.706 4.585 5.574 1.00 0.97 C ATOM 1441 CD2 LEU A 96 6.229 4.715 5.450 1.00 1.44 C ATOM 0 H LEU A 96 8.352 1.040 5.923 1.00 0.42 H new ATOM 0 HA LEU A 96 5.809 1.844 5.456 1.00 0.47 H new ATOM 0 HB2 LEU A 96 8.447 2.471 4.160 1.00 0.54 H new ATOM 0 HB3 LEU A 96 6.977 3.187 3.530 1.00 0.54 H new ATOM 0 HG LEU A 96 7.356 3.201 6.506 1.00 0.50 H new ATOM 0 HD11 LEU A 96 8.681 5.297 6.399 1.00 0.97 H new ATOM 0 HD12 LEU A 96 9.564 3.923 5.691 1.00 0.97 H new ATOM 0 HD13 LEU A 96 8.791 5.125 4.631 1.00 0.97 H new ATOM 0 HD21 LEU A 96 6.245 5.428 6.274 1.00 1.44 H new ATOM 0 HD22 LEU A 96 6.289 5.253 4.504 1.00 1.44 H new ATOM 0 HD23 LEU A 96 5.302 4.142 5.484 1.00 1.44 H new ATOM 1453 N ASN A 97 6.859 0.007 2.929 1.00 0.52 N ATOM 1454 CA ASN A 97 6.523 -0.817 1.773 1.00 0.63 C ATOM 1455 C ASN A 97 5.187 -1.560 1.894 1.00 0.66 C ATOM 1456 O ASN A 97 4.528 -1.751 0.874 1.00 0.76 O ATOM 1457 CB ASN A 97 7.681 -1.788 1.504 1.00 0.96 C ATOM 1458 CG ASN A 97 7.535 -2.538 0.186 1.00 0.86 C ATOM 1459 OD1 ASN A 97 7.195 -3.721 0.165 1.00 1.25 O ATOM 1460 ND2 ASN A 97 7.857 -1.880 -0.922 1.00 1.40 N ATOM 0 H ASN A 97 7.853 -0.043 3.154 1.00 0.52 H new ATOM 0 HA ASN A 97 6.385 -0.145 0.926 1.00 0.63 H new ATOM 0 HB2 ASN A 97 8.619 -1.233 1.498 1.00 0.96 H new ATOM 0 HB3 ASN A 97 7.742 -2.508 2.320 1.00 0.96 H new ATOM 0 HD21 ASN A 97 7.827 -2.355 -1.824 1.00 1.40 H new ATOM 0 HD22 ASN A 97 8.135 -0.900 -0.871 1.00 1.40 H new ATOM 1467 N LYS A 98 4.784 -2.007 3.092 1.00 0.65 N ATOM 1468 CA LYS A 98 3.450 -2.560 3.293 1.00 0.69 C ATOM 1469 C LYS A 98 2.989 -2.427 4.754 1.00 0.63 C ATOM 1470 O LYS A 98 2.748 -3.439 5.406 1.00 0.70 O ATOM 1471 CB LYS A 98 3.378 -4.010 2.769 1.00 0.85 C ATOM 1472 CG LYS A 98 4.373 -4.970 3.450 1.00 0.94 C ATOM 1473 CD LYS A 98 5.742 -5.105 2.768 1.00 2.71 C ATOM 1474 CE LYS A 98 5.748 -6.186 1.677 1.00 3.68 C ATOM 1475 NZ LYS A 98 7.056 -6.268 0.997 1.00 5.02 N ATOM 0 H LYS A 98 5.365 -1.994 3.930 1.00 0.65 H new ATOM 0 HA LYS A 98 2.744 -1.972 2.706 1.00 0.69 H new ATOM 0 HB2 LYS A 98 2.366 -4.388 2.914 1.00 0.85 H new ATOM 0 HB3 LYS A 98 3.567 -4.008 1.696 1.00 0.85 H new ATOM 0 HG2 LYS A 98 4.530 -4.634 4.475 1.00 0.94 H new ATOM 0 HG3 LYS A 98 3.916 -5.958 3.505 1.00 0.94 H new ATOM 0 HD2 LYS A 98 6.022 -4.148 2.329 1.00 2.71 H new ATOM 0 HD3 LYS A 98 6.496 -5.345 3.517 1.00 2.71 H new ATOM 0 HE2 LYS A 98 5.507 -7.152 2.121 1.00 3.68 H new ATOM 0 HE3 LYS A 98 4.970 -5.969 0.945 1.00 3.68 H new ATOM 0 HZ1 LYS A 98 7.086 -7.121 0.403 1.00 5.02 H new ATOM 0 HZ2 LYS A 98 7.191 -5.427 0.401 1.00 5.02 H new ATOM 0 HZ3 LYS A 98 7.814 -6.314 1.707 1.00 5.02 H new ATOM 1489 N ILE A 99 2.841 -1.203 5.278 1.00 0.60 N ATOM 1490 CA ILE A 99 2.324 -1.042 6.644 1.00 0.65 C ATOM 1491 C ILE A 99 0.890 -1.578 6.717 1.00 0.72 C ATOM 1492 O ILE A 99 0.622 -2.512 7.467 1.00 1.07 O ATOM 1493 CB ILE A 99 2.426 0.414 7.144 1.00 0.63 C ATOM 1494 CG1 ILE A 99 3.905 0.792 7.331 1.00 0.69 C ATOM 1495 CG2 ILE A 99 1.693 0.570 8.488 1.00 0.74 C ATOM 1496 CD1 ILE A 99 4.120 2.291 7.565 1.00 2.27 C ATOM 0 H ILE A 99 3.064 -0.333 4.794 1.00 0.60 H new ATOM 0 HA ILE A 99 2.949 -1.627 7.318 1.00 0.65 H new ATOM 0 HB ILE A 99 1.965 1.070 6.406 1.00 0.63 H new ATOM 0 HG12 ILE A 99 4.311 0.237 8.177 1.00 0.69 H new ATOM 0 HG13 ILE A 99 4.466 0.484 6.449 1.00 0.69 H new ATOM 0 HG21 ILE A 99 1.773 1.602 8.829 1.00 0.74 H new ATOM 0 HG22 ILE A 99 0.642 0.310 8.361 1.00 0.74 H new ATOM 0 HG23 ILE A 99 2.144 -0.092 9.227 1.00 0.74 H new ATOM 0 HD11 ILE A 99 5.184 2.491 7.689 1.00 2.27 H new ATOM 0 HD12 ILE A 99 3.743 2.851 6.709 1.00 2.27 H new ATOM 0 HD13 ILE A 99 3.586 2.599 8.464 1.00 2.27 H new ATOM 1508 N GLU A 100 -0.008 -0.969 5.937 1.00 0.68 N ATOM 1509 CA GLU A 100 -1.411 -1.349 5.829 1.00 0.67 C ATOM 1510 C GLU A 100 -1.855 -1.096 4.383 1.00 0.67 C ATOM 1511 O GLU A 100 -1.402 -1.799 3.478 1.00 0.96 O ATOM 1512 CB GLU A 100 -2.240 -0.631 6.924 1.00 0.70 C ATOM 1513 CG GLU A 100 -2.700 -1.615 8.004 1.00 0.89 C ATOM 1514 CD GLU A 100 -3.857 -2.462 7.485 1.00 2.41 C ATOM 1515 OE1 GLU A 100 -5.006 -1.996 7.639 1.00 2.89 O ATOM 1516 OE2 GLU A 100 -3.572 -3.520 6.887 1.00 3.93 O ATOM 0 H GLU A 100 0.234 -0.173 5.346 1.00 0.68 H new ATOM 0 HA GLU A 100 -1.576 -2.409 6.022 1.00 0.67 H new ATOM 0 HB2 GLU A 100 -1.641 0.158 7.378 1.00 0.70 H new ATOM 0 HB3 GLU A 100 -3.108 -0.152 6.471 1.00 0.70 H new ATOM 0 HG2 GLU A 100 -1.871 -2.259 8.297 1.00 0.89 H new ATOM 0 HG3 GLU A 100 -3.010 -1.070 8.895 1.00 0.89 H new ATOM 1523 N GLY A 101 -2.659 -0.061 4.113 1.00 0.57 N ATOM 1524 CA GLY A 101 -3.190 0.220 2.787 1.00 0.59 C ATOM 1525 C GLY A 101 -2.168 0.970 1.939 1.00 0.61 C ATOM 1526 O GLY A 101 -2.448 2.056 1.430 1.00 0.71 O ATOM 0 H GLY A 101 -2.959 0.609 4.822 1.00 0.57 H new ATOM 0 HA2 GLY A 101 -3.462 -0.714 2.295 1.00 0.59 H new ATOM 0 HA3 GLY A 101 -4.101 0.812 2.874 1.00 0.59 H new ATOM 1530 N VAL A 102 -0.973 0.390 1.812 1.00 0.62 N ATOM 1531 CA VAL A 102 0.152 0.957 1.094 1.00 0.58 C ATOM 1532 C VAL A 102 0.357 0.177 -0.202 1.00 0.60 C ATOM 1533 O VAL A 102 0.541 -1.041 -0.181 1.00 0.66 O ATOM 1534 CB VAL A 102 1.405 0.967 1.981 1.00 0.57 C ATOM 1535 CG1 VAL A 102 2.536 1.692 1.241 1.00 0.59 C ATOM 1536 CG2 VAL A 102 1.142 1.667 3.321 1.00 0.56 C ATOM 0 H VAL A 102 -0.763 -0.519 2.224 1.00 0.62 H new ATOM 0 HA VAL A 102 -0.051 1.996 0.834 1.00 0.58 H new ATOM 0 HB VAL A 102 1.685 -0.065 2.190 1.00 0.57 H new ATOM 0 HG11 VAL A 102 3.430 1.704 1.865 1.00 0.59 H new ATOM 0 HG12 VAL A 102 2.751 1.173 0.307 1.00 0.59 H new ATOM 0 HG13 VAL A 102 2.231 2.716 1.025 1.00 0.59 H new ATOM 0 HG21 VAL A 102 2.051 1.655 3.922 1.00 0.56 H new ATOM 0 HG22 VAL A 102 0.841 2.699 3.140 1.00 0.56 H new ATOM 0 HG23 VAL A 102 0.347 1.145 3.854 1.00 0.56 H new ATOM 1546 N ALA A 103 0.337 0.889 -1.330 1.00 0.59 N ATOM 1547 CA ALA A 103 0.696 0.316 -2.611 1.00 0.64 C ATOM 1548 C ALA A 103 2.212 0.165 -2.673 1.00 0.60 C ATOM 1549 O ALA A 103 2.705 -0.918 -2.975 1.00 0.63 O ATOM 1550 CB ALA A 103 0.181 1.182 -3.761 1.00 0.69 C ATOM 0 H ALA A 103 0.072 1.873 -1.373 1.00 0.59 H new ATOM 0 HA ALA A 103 0.231 -0.664 -2.715 1.00 0.64 H new ATOM 0 HB1 ALA A 103 0.464 0.730 -4.712 1.00 0.69 H new ATOM 0 HB2 ALA A 103 -0.905 1.256 -3.703 1.00 0.69 H new ATOM 0 HB3 ALA A 103 0.617 2.179 -3.689 1.00 0.69 H new ATOM 1556 N ASN A 104 2.951 1.244 -2.384 1.00 0.54 N ATOM 1557 CA ASN A 104 4.404 1.268 -2.535 1.00 0.54 C ATOM 1558 C ASN A 104 5.006 2.266 -1.554 1.00 0.47 C ATOM 1559 O ASN A 104 4.295 3.084 -0.970 1.00 0.44 O ATOM 1560 CB ASN A 104 4.814 1.650 -3.969 1.00 0.61 C ATOM 1561 CG ASN A 104 4.404 0.614 -5.008 1.00 0.65 C ATOM 1562 OD1 ASN A 104 5.011 -0.450 -5.097 1.00 0.78 O ATOM 1563 ND2 ASN A 104 3.394 0.915 -5.814 1.00 0.64 N ATOM 0 H ASN A 104 2.556 2.120 -2.041 1.00 0.54 H new ATOM 0 HA ASN A 104 4.780 0.266 -2.327 1.00 0.54 H new ATOM 0 HB2 ASN A 104 4.364 2.609 -4.225 1.00 0.61 H new ATOM 0 HB3 ASN A 104 5.895 1.785 -4.007 1.00 0.61 H new ATOM 0 HD21 ASN A 104 3.101 0.254 -6.533 1.00 0.64 H new ATOM 0 HD22 ASN A 104 2.910 1.807 -5.714 1.00 0.64 H new ATOM 1570 N ALA A 105 6.330 2.218 -1.398 1.00 0.46 N ATOM 1571 CA ALA A 105 7.069 3.196 -0.609 1.00 0.43 C ATOM 1572 C ALA A 105 8.569 3.181 -0.931 1.00 0.43 C ATOM 1573 O ALA A 105 9.353 2.678 -0.127 1.00 0.45 O ATOM 1574 CB ALA A 105 6.846 2.976 0.893 1.00 0.44 C ATOM 0 H ALA A 105 6.918 1.498 -1.817 1.00 0.46 H new ATOM 0 HA ALA A 105 6.681 4.178 -0.880 1.00 0.43 H new ATOM 0 HB1 ALA A 105 7.409 3.720 1.457 1.00 0.44 H new ATOM 0 HB2 ALA A 105 5.785 3.074 1.122 1.00 0.44 H new ATOM 0 HB3 ALA A 105 7.186 1.978 1.169 1.00 0.44 H new ATOM 1580 N PRO A 106 9.001 3.692 -2.095 1.00 0.47 N ATOM 1581 CA PRO A 106 10.414 3.758 -2.429 1.00 0.51 C ATOM 1582 C PRO A 106 11.098 4.869 -1.624 1.00 0.46 C ATOM 1583 O PRO A 106 10.596 5.995 -1.553 1.00 0.46 O ATOM 1584 CB PRO A 106 10.459 4.026 -3.936 1.00 0.58 C ATOM 1585 CG PRO A 106 9.174 4.817 -4.184 1.00 0.61 C ATOM 1586 CD PRO A 106 8.186 4.217 -3.179 1.00 0.54 C ATOM 0 HA PRO A 106 10.948 2.840 -2.183 1.00 0.51 H new ATOM 0 HB2 PRO A 106 11.344 4.596 -4.218 1.00 0.58 H new ATOM 0 HB3 PRO A 106 10.480 3.100 -4.510 1.00 0.58 H new ATOM 0 HG2 PRO A 106 9.320 5.884 -4.015 1.00 0.61 H new ATOM 0 HG3 PRO A 106 8.823 4.702 -5.210 1.00 0.61 H new ATOM 0 HD2 PRO A 106 7.490 4.972 -2.815 1.00 0.54 H new ATOM 0 HD3 PRO A 106 7.590 3.429 -3.638 1.00 0.54 H new ATOM 1594 N VAL A 107 12.249 4.543 -1.025 1.00 0.49 N ATOM 1595 CA VAL A 107 13.094 5.481 -0.297 1.00 0.49 C ATOM 1596 C VAL A 107 14.204 5.996 -1.222 1.00 0.54 C ATOM 1597 O VAL A 107 14.654 5.271 -2.110 1.00 0.61 O ATOM 1598 CB VAL A 107 13.679 4.816 0.969 1.00 0.55 C ATOM 1599 CG1 VAL A 107 12.578 4.295 1.902 1.00 1.45 C ATOM 1600 CG2 VAL A 107 14.636 3.655 0.662 1.00 1.70 C ATOM 0 H VAL A 107 12.623 3.594 -1.037 1.00 0.49 H new ATOM 0 HA VAL A 107 12.493 6.330 0.029 1.00 0.49 H new ATOM 0 HB VAL A 107 14.243 5.609 1.459 1.00 0.55 H new ATOM 0 HG11 VAL A 107 13.032 3.835 2.780 1.00 1.45 H new ATOM 0 HG12 VAL A 107 11.943 5.124 2.215 1.00 1.45 H new ATOM 0 HG13 VAL A 107 11.975 3.555 1.376 1.00 1.45 H new ATOM 0 HG21 VAL A 107 15.009 3.235 1.596 1.00 1.70 H new ATOM 0 HG22 VAL A 107 14.105 2.884 0.103 1.00 1.70 H new ATOM 0 HG23 VAL A 107 15.474 4.021 0.069 1.00 1.70 H new ATOM 1610 N ASN A 108 14.671 7.225 -0.999 1.00 0.55 N ATOM 1611 CA ASN A 108 15.813 7.824 -1.668 1.00 0.66 C ATOM 1612 C ASN A 108 16.964 7.930 -0.677 1.00 0.76 C ATOM 1613 O ASN A 108 16.748 7.976 0.531 1.00 1.75 O ATOM 1614 CB ASN A 108 15.441 9.227 -2.163 1.00 0.67 C ATOM 1615 CG ASN A 108 14.518 9.189 -3.375 1.00 0.85 C ATOM 1616 OD1 ASN A 108 13.357 8.810 -3.282 1.00 1.15 O ATOM 1617 ND2 ASN A 108 15.031 9.584 -4.535 1.00 1.40 N ATOM 0 H ASN A 108 14.242 7.851 -0.318 1.00 0.55 H new ATOM 0 HA ASN A 108 16.107 7.208 -2.518 1.00 0.66 H new ATOM 0 HB2 ASN A 108 14.955 9.777 -1.357 1.00 0.67 H new ATOM 0 HB3 ASN A 108 16.350 9.772 -2.419 1.00 0.67 H new ATOM 0 HD21 ASN A 108 14.455 9.576 -5.377 1.00 1.40 H new ATOM 0 HD22 ASN A 108 16.001 9.895 -4.584 1.00 1.40 H new ATOM 1624 N PHE A 109 18.188 7.993 -1.209 1.00 0.94 N ATOM 1625 CA PHE A 109 19.421 8.127 -0.432 1.00 0.93 C ATOM 1626 C PHE A 109 20.253 9.327 -0.906 1.00 1.03 C ATOM 1627 O PHE A 109 21.465 9.374 -0.717 1.00 1.58 O ATOM 1628 CB PHE A 109 20.211 6.825 -0.578 1.00 0.86 C ATOM 1629 CG PHE A 109 20.835 6.362 0.720 1.00 1.19 C ATOM 1630 CD1 PHE A 109 20.041 5.655 1.640 1.00 1.77 C ATOM 1631 CD2 PHE A 109 22.091 6.856 1.116 1.00 2.75 C ATOM 1632 CE1 PHE A 109 20.479 5.489 2.962 1.00 2.05 C ATOM 1633 CE2 PHE A 109 22.534 6.677 2.437 1.00 3.16 C ATOM 1634 CZ PHE A 109 21.718 6.011 3.367 1.00 2.22 C ATOM 0 H PHE A 109 18.352 7.951 -2.215 1.00 0.94 H new ATOM 0 HA PHE A 109 19.179 8.307 0.615 1.00 0.93 H new ATOM 0 HB2 PHE A 109 19.549 6.045 -0.955 1.00 0.86 H new ATOM 0 HB3 PHE A 109 20.995 6.964 -1.322 1.00 0.86 H new ATOM 0 HD1 PHE A 109 19.094 5.240 1.329 1.00 1.77 H new ATOM 0 HD2 PHE A 109 22.716 7.374 0.403 1.00 2.75 H new ATOM 0 HE1 PHE A 109 19.861 4.958 3.671 1.00 2.05 H new ATOM 0 HE2 PHE A 109 23.501 7.051 2.738 1.00 3.16 H new ATOM 0 HZ PHE A 109 22.043 5.901 4.391 1.00 2.22 H new ATOM 1644 N ALA A 110 19.597 10.241 -1.621 1.00 0.89 N ATOM 1645 CA ALA A 110 20.184 11.465 -2.151 1.00 1.05 C ATOM 1646 C ALA A 110 19.805 12.671 -1.285 1.00 1.06 C ATOM 1647 O ALA A 110 20.616 13.571 -1.086 1.00 1.23 O ATOM 1648 CB ALA A 110 19.712 11.656 -3.597 1.00 1.35 C ATOM 0 H ALA A 110 18.609 10.143 -1.853 1.00 0.89 H new ATOM 0 HA ALA A 110 21.271 11.384 -2.135 1.00 1.05 H new ATOM 0 HB1 ALA A 110 20.146 12.570 -4.004 1.00 1.35 H new ATOM 0 HB2 ALA A 110 20.030 10.805 -4.199 1.00 1.35 H new ATOM 0 HB3 ALA A 110 18.625 11.730 -3.618 1.00 1.35 H new ATOM 1654 N LEU A 111 18.544 12.713 -0.842 1.00 1.14 N ATOM 1655 CA LEU A 111 17.997 13.741 0.041 1.00 1.39 C ATOM 1656 C LEU A 111 17.213 13.089 1.186 1.00 0.91 C ATOM 1657 O LEU A 111 16.403 13.748 1.834 1.00 1.00 O ATOM 1658 CB LEU A 111 17.134 14.760 -0.744 1.00 2.07 C ATOM 1659 CG LEU A 111 16.539 14.262 -2.077 1.00 1.83 C ATOM 1660 CD1 LEU A 111 15.244 15.017 -2.397 1.00 2.41 C ATOM 1661 CD2 LEU A 111 17.501 14.536 -3.244 1.00 1.29 C ATOM 0 H LEU A 111 17.855 12.006 -1.099 1.00 1.14 H new ATOM 0 HA LEU A 111 18.824 14.302 0.475 1.00 1.39 H new ATOM 0 HB2 LEU A 111 16.314 15.082 -0.102 1.00 2.07 H new ATOM 0 HB3 LEU A 111 17.744 15.640 -0.948 1.00 2.07 H new ATOM 0 HG LEU A 111 16.360 13.193 -1.965 1.00 1.83 H new ATOM 0 HD11 LEU A 111 14.835 14.655 -3.340 1.00 2.41 H new ATOM 0 HD12 LEU A 111 14.519 14.850 -1.600 1.00 2.41 H new ATOM 0 HD13 LEU A 111 15.455 16.083 -2.478 1.00 2.41 H new ATOM 0 HD21 LEU A 111 17.058 14.176 -4.173 1.00 1.29 H new ATOM 0 HD22 LEU A 111 17.684 15.608 -3.321 1.00 1.29 H new ATOM 0 HD23 LEU A 111 18.444 14.019 -3.067 1.00 1.29 H new ATOM 1673 N GLU A 112 17.452 11.797 1.434 1.00 0.72 N ATOM 1674 CA GLU A 112 16.871 11.039 2.527 1.00 0.66 C ATOM 1675 C GLU A 112 15.368 11.281 2.629 1.00 0.50 C ATOM 1676 O GLU A 112 14.828 11.554 3.699 1.00 0.66 O ATOM 1677 CB GLU A 112 17.652 11.333 3.813 1.00 1.07 C ATOM 1678 CG GLU A 112 19.072 10.744 3.728 1.00 1.37 C ATOM 1679 CD GLU A 112 20.001 11.496 2.780 1.00 2.16 C ATOM 1680 OE1 GLU A 112 19.982 11.141 1.579 1.00 3.69 O ATOM 1681 OE2 GLU A 112 20.680 12.425 3.265 1.00 2.25 O ATOM 0 H GLU A 112 18.078 11.239 0.854 1.00 0.72 H new ATOM 0 HA GLU A 112 16.963 9.969 2.340 1.00 0.66 H new ATOM 0 HB2 GLU A 112 17.708 12.410 3.974 1.00 1.07 H new ATOM 0 HB3 GLU A 112 17.127 10.910 4.669 1.00 1.07 H new ATOM 0 HG2 GLU A 112 19.513 10.740 4.725 1.00 1.37 H new ATOM 0 HG3 GLU A 112 19.004 9.705 3.405 1.00 1.37 H new ATOM 1688 N THR A 113 14.701 11.160 1.482 1.00 0.47 N ATOM 1689 CA THR A 113 13.256 11.229 1.354 1.00 0.44 C ATOM 1690 C THR A 113 12.684 9.831 1.159 1.00 0.41 C ATOM 1691 O THR A 113 13.408 8.885 0.855 1.00 0.46 O ATOM 1692 CB THR A 113 12.849 12.164 0.203 1.00 0.52 C ATOM 1693 OG1 THR A 113 13.507 11.806 -0.997 1.00 0.73 O ATOM 1694 CG2 THR A 113 13.190 13.617 0.528 1.00 0.74 C ATOM 0 H THR A 113 15.172 11.006 0.590 1.00 0.47 H new ATOM 0 HA THR A 113 12.843 11.645 2.273 1.00 0.44 H new ATOM 0 HB THR A 113 11.771 12.062 0.075 1.00 0.52 H new ATOM 0 HG1 THR A 113 13.231 12.413 -1.715 1.00 0.73 H new ATOM 0 HG21 THR A 113 12.891 14.256 -0.303 1.00 0.74 H new ATOM 0 HG22 THR A 113 12.659 13.923 1.429 1.00 0.74 H new ATOM 0 HG23 THR A 113 14.264 13.711 0.690 1.00 0.74 H new ATOM 1702 N VAL A 114 11.372 9.706 1.337 1.00 0.46 N ATOM 1703 CA VAL A 114 10.606 8.537 0.959 1.00 0.45 C ATOM 1704 C VAL A 114 9.310 9.012 0.327 1.00 0.43 C ATOM 1705 O VAL A 114 8.600 9.829 0.917 1.00 0.39 O ATOM 1706 CB VAL A 114 10.383 7.606 2.167 1.00 0.44 C ATOM 1707 CG1 VAL A 114 9.703 8.285 3.364 1.00 0.41 C ATOM 1708 CG2 VAL A 114 9.558 6.370 1.786 1.00 0.46 C ATOM 0 H VAL A 114 10.803 10.439 1.760 1.00 0.46 H new ATOM 0 HA VAL A 114 11.151 7.938 0.229 1.00 0.45 H new ATOM 0 HB VAL A 114 11.389 7.316 2.471 1.00 0.44 H new ATOM 0 HG11 VAL A 114 9.582 7.563 4.172 1.00 0.41 H new ATOM 0 HG12 VAL A 114 10.318 9.116 3.709 1.00 0.41 H new ATOM 0 HG13 VAL A 114 8.725 8.659 3.063 1.00 0.41 H new ATOM 0 HG21 VAL A 114 9.422 5.738 2.664 1.00 0.46 H new ATOM 0 HG22 VAL A 114 8.584 6.684 1.411 1.00 0.46 H new ATOM 0 HG23 VAL A 114 10.081 5.808 1.012 1.00 0.46 H new ATOM 1718 N THR A 115 8.983 8.464 -0.840 1.00 0.46 N ATOM 1719 CA THR A 115 7.647 8.618 -1.373 1.00 0.47 C ATOM 1720 C THR A 115 6.835 7.538 -0.673 1.00 0.45 C ATOM 1721 O THR A 115 7.256 6.385 -0.678 1.00 0.59 O ATOM 1722 CB THR A 115 7.661 8.380 -2.886 1.00 0.54 C ATOM 1723 OG1 THR A 115 8.640 9.175 -3.519 1.00 0.57 O ATOM 1724 CG2 THR A 115 6.291 8.669 -3.496 1.00 0.63 C ATOM 0 H THR A 115 9.619 7.919 -1.422 1.00 0.46 H new ATOM 0 HA THR A 115 7.238 9.615 -1.209 1.00 0.47 H new ATOM 0 HB THR A 115 7.907 7.330 -3.048 1.00 0.54 H new ATOM 0 HG1 THR A 115 8.982 9.840 -2.885 1.00 0.57 H new ATOM 0 HG21 THR A 115 6.327 8.493 -4.571 1.00 0.63 H new ATOM 0 HG22 THR A 115 5.546 8.013 -3.045 1.00 0.63 H new ATOM 0 HG23 THR A 115 6.021 9.708 -3.308 1.00 0.63 H new ATOM 1732 N VAL A 116 5.707 7.885 -0.058 1.00 0.43 N ATOM 1733 CA VAL A 116 4.781 6.915 0.505 1.00 0.41 C ATOM 1734 C VAL A 116 3.569 6.867 -0.423 1.00 0.40 C ATOM 1735 O VAL A 116 2.899 7.882 -0.618 1.00 0.40 O ATOM 1736 CB VAL A 116 4.463 7.242 1.976 1.00 0.43 C ATOM 1737 CG1 VAL A 116 3.740 8.578 2.174 1.00 0.52 C ATOM 1738 CG2 VAL A 116 3.652 6.104 2.609 1.00 0.54 C ATOM 0 H VAL A 116 5.411 8.854 0.063 1.00 0.43 H new ATOM 0 HA VAL A 116 5.210 5.914 0.552 1.00 0.41 H new ATOM 0 HB VAL A 116 5.426 7.341 2.477 1.00 0.43 H new ATOM 0 HG11 VAL A 116 3.552 8.736 3.236 1.00 0.52 H new ATOM 0 HG12 VAL A 116 4.361 9.388 1.791 1.00 0.52 H new ATOM 0 HG13 VAL A 116 2.792 8.562 1.636 1.00 0.52 H new ATOM 0 HG21 VAL A 116 3.434 6.347 3.649 1.00 0.54 H new ATOM 0 HG22 VAL A 116 2.718 5.975 2.063 1.00 0.54 H new ATOM 0 HG23 VAL A 116 4.228 5.179 2.566 1.00 0.54 H new ATOM 1748 N GLU A 117 3.331 5.710 -1.046 1.00 0.47 N ATOM 1749 CA GLU A 117 2.286 5.527 -2.033 1.00 0.54 C ATOM 1750 C GLU A 117 1.188 4.707 -1.365 1.00 0.53 C ATOM 1751 O GLU A 117 1.266 3.476 -1.323 1.00 0.53 O ATOM 1752 CB GLU A 117 2.874 4.821 -3.265 1.00 0.69 C ATOM 1753 CG GLU A 117 2.400 5.487 -4.553 1.00 0.71 C ATOM 1754 CD GLU A 117 2.731 4.665 -5.788 1.00 1.50 C ATOM 1755 OE1 GLU A 117 2.489 3.439 -5.733 1.00 2.34 O ATOM 1756 OE2 GLU A 117 3.235 5.275 -6.754 1.00 2.83 O ATOM 0 H GLU A 117 3.874 4.865 -0.869 1.00 0.47 H new ATOM 0 HA GLU A 117 1.869 6.473 -2.378 1.00 0.54 H new ATOM 0 HB2 GLU A 117 3.963 4.845 -3.218 1.00 0.69 H new ATOM 0 HB3 GLU A 117 2.578 3.772 -3.263 1.00 0.69 H new ATOM 0 HG2 GLU A 117 1.322 5.643 -4.502 1.00 0.71 H new ATOM 0 HG3 GLU A 117 2.861 6.471 -4.641 1.00 0.71 H new ATOM 1763 N TYR A 118 0.201 5.379 -0.775 1.00 0.55 N ATOM 1764 CA TYR A 118 -0.743 4.727 0.120 1.00 0.56 C ATOM 1765 C TYR A 118 -2.108 5.383 0.048 1.00 0.60 C ATOM 1766 O TYR A 118 -2.259 6.435 -0.564 1.00 0.69 O ATOM 1767 CB TYR A 118 -0.209 4.741 1.557 1.00 0.53 C ATOM 1768 CG TYR A 118 -0.441 6.027 2.331 1.00 0.50 C ATOM 1769 CD1 TYR A 118 0.155 7.235 1.924 1.00 1.97 C ATOM 1770 CD2 TYR A 118 -1.277 6.014 3.463 1.00 1.88 C ATOM 1771 CE1 TYR A 118 -0.029 8.405 2.683 1.00 1.93 C ATOM 1772 CE2 TYR A 118 -1.441 7.177 4.232 1.00 1.90 C ATOM 1773 CZ TYR A 118 -0.808 8.370 3.851 1.00 0.46 C ATOM 1774 OH TYR A 118 -0.942 9.486 4.624 1.00 0.51 O ATOM 0 H TYR A 118 0.037 6.378 -0.904 1.00 0.55 H new ATOM 0 HA TYR A 118 -0.856 3.691 -0.200 1.00 0.56 H new ATOM 0 HB2 TYR A 118 -0.671 3.920 2.105 1.00 0.53 H new ATOM 0 HB3 TYR A 118 0.863 4.543 1.529 1.00 0.53 H new ATOM 0 HD1 TYR A 118 0.755 7.264 1.027 1.00 1.97 H new ATOM 0 HD2 TYR A 118 -1.794 5.107 3.741 1.00 1.88 H new ATOM 0 HE1 TYR A 118 0.429 9.331 2.367 1.00 1.93 H new ATOM 0 HE2 TYR A 118 -2.056 7.153 5.119 1.00 1.90 H new ATOM 0 HH TYR A 118 -1.857 9.828 4.549 1.00 0.51 H new ATOM 1784 N ASN A 119 -3.104 4.726 0.640 1.00 0.56 N ATOM 1785 CA ASN A 119 -4.484 5.176 0.613 1.00 0.56 C ATOM 1786 C ASN A 119 -4.736 6.048 1.845 1.00 0.54 C ATOM 1787 O ASN A 119 -4.845 5.507 2.948 1.00 0.57 O ATOM 1788 CB ASN A 119 -5.398 3.946 0.551 1.00 0.65 C ATOM 1789 CG ASN A 119 -6.702 4.247 -0.183 1.00 1.03 C ATOM 1790 OD1 ASN A 119 -6.968 3.492 -1.253 1.00 1.36 O flip ATOM 1791 ND2 ASN A 119 -7.436 5.159 0.191 1.00 2.20 N flip ATOM 0 H ASN A 119 -2.968 3.857 1.156 1.00 0.56 H new ATOM 0 HA ASN A 119 -4.697 5.784 -0.266 1.00 0.56 H new ATOM 0 HB2 ASN A 119 -4.877 3.131 0.048 1.00 0.65 H new ATOM 0 HB3 ASN A 119 -5.620 3.606 1.563 1.00 0.65 H new ATOM 0 HD21 ASN A 119 -7.189 5.707 1.015 1.00 2.20 H new ATOM 0 HD22 ASN A 119 -8.292 5.368 -0.322 1.00 2.20 H new ATOM 1798 N PRO A 120 -4.840 7.385 1.715 1.00 0.52 N ATOM 1799 CA PRO A 120 -4.948 8.284 2.860 1.00 0.52 C ATOM 1800 C PRO A 120 -6.378 8.299 3.424 1.00 0.56 C ATOM 1801 O PRO A 120 -6.846 9.326 3.917 1.00 0.72 O ATOM 1802 CB PRO A 120 -4.529 9.650 2.308 1.00 0.58 C ATOM 1803 CG PRO A 120 -5.090 9.609 0.888 1.00 0.59 C ATOM 1804 CD PRO A 120 -4.846 8.155 0.480 1.00 0.53 C ATOM 0 HA PRO A 120 -4.321 7.977 3.697 1.00 0.52 H new ATOM 0 HB2 PRO A 120 -4.950 10.471 2.889 1.00 0.58 H new ATOM 0 HB3 PRO A 120 -3.446 9.777 2.315 1.00 0.58 H new ATOM 0 HG2 PRO A 120 -6.149 9.866 0.862 1.00 0.59 H new ATOM 0 HG3 PRO A 120 -4.576 10.308 0.228 1.00 0.59 H new ATOM 0 HD2 PRO A 120 -5.626 7.803 -0.195 1.00 0.53 H new ATOM 0 HD3 PRO A 120 -3.898 8.052 -0.048 1.00 0.53 H new ATOM 1812 N LYS A 121 -7.093 7.177 3.308 1.00 0.61 N ATOM 1813 CA LYS A 121 -8.422 6.961 3.847 1.00 0.64 C ATOM 1814 C LYS A 121 -8.306 5.884 4.924 1.00 0.60 C ATOM 1815 O LYS A 121 -8.667 6.114 6.077 1.00 0.71 O ATOM 1816 CB LYS A 121 -9.353 6.555 2.698 1.00 0.78 C ATOM 1817 CG LYS A 121 -9.292 7.547 1.526 1.00 1.79 C ATOM 1818 CD LYS A 121 -9.780 8.942 1.935 1.00 2.91 C ATOM 1819 CE LYS A 121 -9.940 9.845 0.706 1.00 4.33 C ATOM 1820 NZ LYS A 121 -10.274 11.232 1.093 1.00 5.42 N ATOM 0 H LYS A 121 -6.737 6.361 2.811 1.00 0.61 H new ATOM 0 HA LYS A 121 -8.843 7.858 4.301 1.00 0.64 H new ATOM 0 HB2 LYS A 121 -9.080 5.560 2.345 1.00 0.78 H new ATOM 0 HB3 LYS A 121 -10.377 6.493 3.067 1.00 0.78 H new ATOM 0 HG2 LYS A 121 -8.268 7.613 1.159 1.00 1.79 H new ATOM 0 HG3 LYS A 121 -9.902 7.175 0.703 1.00 1.79 H new ATOM 0 HD2 LYS A 121 -10.733 8.860 2.458 1.00 2.91 H new ATOM 0 HD3 LYS A 121 -9.071 9.390 2.632 1.00 2.91 H new ATOM 0 HE2 LYS A 121 -9.017 9.840 0.127 1.00 4.33 H new ATOM 0 HE3 LYS A 121 -10.723 9.448 0.061 1.00 4.33 H new ATOM 0 HZ1 LYS A 121 -10.375 11.816 0.238 1.00 5.42 H new ATOM 0 HZ2 LYS A 121 -11.168 11.238 1.625 1.00 5.42 H new ATOM 0 HZ3 LYS A 121 -9.514 11.619 1.689 1.00 5.42 H new ATOM 1834 N GLU A 122 -7.740 4.735 4.549 1.00 0.58 N ATOM 1835 CA GLU A 122 -7.460 3.629 5.448 1.00 0.56 C ATOM 1836 C GLU A 122 -6.487 4.079 6.539 1.00 0.52 C ATOM 1837 O GLU A 122 -6.727 3.844 7.721 1.00 0.57 O ATOM 1838 CB GLU A 122 -6.868 2.454 4.652 1.00 0.58 C ATOM 1839 CG GLU A 122 -7.915 1.685 3.833 1.00 0.98 C ATOM 1840 CD GLU A 122 -8.577 2.533 2.759 1.00 2.40 C ATOM 1841 OE1 GLU A 122 -7.997 2.600 1.656 1.00 3.73 O ATOM 1842 OE2 GLU A 122 -9.620 3.144 3.064 1.00 3.03 O ATOM 0 H GLU A 122 -7.459 4.550 3.586 1.00 0.58 H new ATOM 0 HA GLU A 122 -8.386 3.303 5.921 1.00 0.56 H new ATOM 0 HB2 GLU A 122 -6.097 2.831 3.980 1.00 0.58 H new ATOM 0 HB3 GLU A 122 -6.380 1.766 5.342 1.00 0.58 H new ATOM 0 HG2 GLU A 122 -7.439 0.824 3.364 1.00 0.98 H new ATOM 0 HG3 GLU A 122 -8.681 1.299 4.506 1.00 0.98 H new ATOM 1849 N ALA A 123 -5.380 4.709 6.132 1.00 0.51 N ATOM 1850 CA ALA A 123 -4.351 5.204 7.038 1.00 0.50 C ATOM 1851 C ALA A 123 -4.164 6.705 6.823 1.00 0.48 C ATOM 1852 O ALA A 123 -4.862 7.318 6.018 1.00 0.50 O ATOM 1853 CB ALA A 123 -3.058 4.415 6.806 1.00 0.51 C ATOM 0 H ALA A 123 -5.175 4.889 5.149 1.00 0.51 H new ATOM 0 HA ALA A 123 -4.647 5.058 8.077 1.00 0.50 H new ATOM 0 HB1 ALA A 123 -2.283 4.780 7.480 1.00 0.51 H new ATOM 0 HB2 ALA A 123 -3.238 3.357 6.998 1.00 0.51 H new ATOM 0 HB3 ALA A 123 -2.732 4.546 5.774 1.00 0.51 H new ATOM 1859 N SER A 124 -3.219 7.311 7.544 1.00 0.47 N ATOM 1860 CA SER A 124 -2.907 8.730 7.460 1.00 0.45 C ATOM 1861 C SER A 124 -1.529 8.939 8.086 1.00 0.40 C ATOM 1862 O SER A 124 -1.061 8.074 8.822 1.00 0.46 O ATOM 1863 CB SER A 124 -3.993 9.530 8.194 1.00 0.55 C ATOM 1864 OG SER A 124 -3.674 10.909 8.233 1.00 2.13 O ATOM 0 H SER A 124 -2.638 6.812 8.218 1.00 0.47 H new ATOM 0 HA SER A 124 -2.885 9.077 6.427 1.00 0.45 H new ATOM 0 HB2 SER A 124 -4.952 9.390 7.695 1.00 0.55 H new ATOM 0 HB3 SER A 124 -4.104 9.151 9.210 1.00 0.55 H new ATOM 0 HG SER A 124 -4.382 11.395 8.704 1.00 2.13 H new ATOM 1870 N VAL A 125 -0.896 10.086 7.829 1.00 0.40 N ATOM 1871 CA VAL A 125 0.385 10.499 8.388 1.00 0.39 C ATOM 1872 C VAL A 125 0.596 10.062 9.840 1.00 0.40 C ATOM 1873 O VAL A 125 1.690 9.644 10.204 1.00 0.40 O ATOM 1874 CB VAL A 125 0.535 12.028 8.296 1.00 0.47 C ATOM 1875 CG1 VAL A 125 1.988 12.369 8.611 1.00 1.48 C ATOM 1876 CG2 VAL A 125 0.129 12.577 6.920 1.00 1.28 C ATOM 0 H VAL A 125 -1.285 10.783 7.194 1.00 0.40 H new ATOM 0 HA VAL A 125 1.146 9.997 7.791 1.00 0.39 H new ATOM 0 HB VAL A 125 -0.138 12.498 9.013 1.00 0.47 H new ATOM 0 HG11 VAL A 125 2.129 13.448 8.554 1.00 1.48 H new ATOM 0 HG12 VAL A 125 2.233 12.023 9.615 1.00 1.48 H new ATOM 0 HG13 VAL A 125 2.641 11.879 7.889 1.00 1.48 H new ATOM 0 HG21 VAL A 125 0.254 13.660 6.909 1.00 1.28 H new ATOM 0 HG22 VAL A 125 0.759 12.131 6.150 1.00 1.28 H new ATOM 0 HG23 VAL A 125 -0.914 12.330 6.723 1.00 1.28 H new ATOM 1886 N SER A 126 -0.412 10.209 10.700 1.00 0.43 N ATOM 1887 CA SER A 126 -0.285 9.819 12.097 1.00 0.46 C ATOM 1888 C SER A 126 0.168 8.364 12.254 1.00 0.44 C ATOM 1889 O SER A 126 1.028 8.091 13.087 1.00 0.45 O ATOM 1890 CB SER A 126 -1.584 10.118 12.844 1.00 0.52 C ATOM 1891 OG SER A 126 -1.866 11.499 12.702 1.00 0.61 O ATOM 0 H SER A 126 -1.323 10.595 10.451 1.00 0.43 H new ATOM 0 HA SER A 126 0.505 10.418 12.550 1.00 0.46 H new ATOM 0 HB2 SER A 126 -2.401 9.519 12.441 1.00 0.52 H new ATOM 0 HB3 SER A 126 -1.486 9.856 13.897 1.00 0.52 H new ATOM 0 HG SER A 126 -2.698 11.713 13.173 1.00 0.61 H new ATOM 1897 N ASP A 127 -0.363 7.457 11.432 1.00 0.43 N ATOM 1898 CA ASP A 127 0.026 6.053 11.422 1.00 0.45 C ATOM 1899 C ASP A 127 1.507 5.929 11.053 1.00 0.41 C ATOM 1900 O ASP A 127 2.286 5.276 11.744 1.00 0.44 O ATOM 1901 CB ASP A 127 -0.858 5.305 10.420 1.00 0.49 C ATOM 1902 CG ASP A 127 -0.431 3.854 10.296 1.00 0.85 C ATOM 1903 OD1 ASP A 127 0.434 3.607 9.431 1.00 1.96 O ATOM 1904 OD2 ASP A 127 -0.980 3.033 11.059 1.00 1.63 O ATOM 0 H ASP A 127 -1.084 7.684 10.747 1.00 0.43 H new ATOM 0 HA ASP A 127 -0.111 5.614 12.410 1.00 0.45 H new ATOM 0 HB2 ASP A 127 -1.899 5.356 10.739 1.00 0.49 H new ATOM 0 HB3 ASP A 127 -0.800 5.790 9.445 1.00 0.49 H new ATOM 1909 N LEU A 128 1.904 6.626 9.987 1.00 0.38 N ATOM 1910 CA LEU A 128 3.275 6.636 9.491 1.00 0.39 C ATOM 1911 C LEU A 128 4.225 7.111 10.585 1.00 0.37 C ATOM 1912 O LEU A 128 5.256 6.492 10.845 1.00 0.38 O ATOM 1913 CB LEU A 128 3.396 7.536 8.258 1.00 0.45 C ATOM 1914 CG LEU A 128 2.457 7.133 7.116 1.00 0.59 C ATOM 1915 CD1 LEU A 128 2.753 8.029 5.913 1.00 0.75 C ATOM 1916 CD2 LEU A 128 2.619 5.665 6.707 1.00 0.70 C ATOM 0 H LEU A 128 1.270 7.207 9.438 1.00 0.38 H new ATOM 0 HA LEU A 128 3.546 5.620 9.204 1.00 0.39 H new ATOM 0 HB2 LEU A 128 3.184 8.566 8.547 1.00 0.45 H new ATOM 0 HB3 LEU A 128 4.425 7.511 7.899 1.00 0.45 H new ATOM 0 HG LEU A 128 1.431 7.256 7.463 1.00 0.59 H new ATOM 0 HD11 LEU A 128 2.095 7.759 5.087 1.00 0.75 H new ATOM 0 HD12 LEU A 128 2.585 9.071 6.185 1.00 0.75 H new ATOM 0 HD13 LEU A 128 3.791 7.897 5.608 1.00 0.75 H new ATOM 0 HD21 LEU A 128 1.929 5.435 5.895 1.00 0.70 H new ATOM 0 HD22 LEU A 128 3.642 5.491 6.375 1.00 0.70 H new ATOM 0 HD23 LEU A 128 2.401 5.023 7.561 1.00 0.70 H new ATOM 1928 N LYS A 129 3.866 8.225 11.228 1.00 0.39 N ATOM 1929 CA LYS A 129 4.616 8.760 12.346 1.00 0.42 C ATOM 1930 C LYS A 129 4.693 7.717 13.466 1.00 0.46 C ATOM 1931 O LYS A 129 5.790 7.403 13.911 1.00 0.55 O ATOM 1932 CB LYS A 129 4.071 10.137 12.766 1.00 0.47 C ATOM 1933 CG LYS A 129 4.405 11.171 11.666 1.00 0.53 C ATOM 1934 CD LYS A 129 4.462 12.643 12.114 1.00 0.64 C ATOM 1935 CE LYS A 129 3.132 13.401 12.198 1.00 2.23 C ATOM 1936 NZ LYS A 129 2.126 12.681 13.001 1.00 3.35 N ATOM 0 H LYS A 129 3.044 8.776 10.981 1.00 0.39 H new ATOM 0 HA LYS A 129 5.648 8.955 12.055 1.00 0.42 H new ATOM 0 HB2 LYS A 129 2.993 10.084 12.917 1.00 0.47 H new ATOM 0 HB3 LYS A 129 4.512 10.442 13.715 1.00 0.47 H new ATOM 0 HG2 LYS A 129 5.368 10.908 11.229 1.00 0.53 H new ATOM 0 HG3 LYS A 129 3.661 11.082 10.874 1.00 0.53 H new ATOM 0 HD2 LYS A 129 4.934 12.679 13.096 1.00 0.64 H new ATOM 0 HD3 LYS A 129 5.115 13.181 11.426 1.00 0.64 H new ATOM 0 HE2 LYS A 129 3.304 14.385 12.634 1.00 2.23 H new ATOM 0 HE3 LYS A 129 2.744 13.561 11.192 1.00 2.23 H new ATOM 0 HZ1 LYS A 129 1.519 13.367 13.494 1.00 3.35 H new ATOM 0 HZ2 LYS A 129 1.542 12.089 12.376 1.00 3.35 H new ATOM 0 HZ3 LYS A 129 2.606 12.079 13.700 1.00 3.35 H new ATOM 1950 N GLU A 130 3.568 7.110 13.862 1.00 0.45 N ATOM 1951 CA GLU A 130 3.581 6.044 14.865 1.00 0.50 C ATOM 1952 C GLU A 130 4.607 4.969 14.478 1.00 0.45 C ATOM 1953 O GLU A 130 5.501 4.630 15.251 1.00 0.53 O ATOM 1954 CB GLU A 130 2.166 5.455 15.038 1.00 0.62 C ATOM 1955 CG GLU A 130 1.766 5.241 16.509 1.00 1.11 C ATOM 1956 CD GLU A 130 2.374 4.004 17.176 1.00 1.82 C ATOM 1957 OE1 GLU A 130 3.015 3.195 16.469 1.00 2.64 O ATOM 1958 OE2 GLU A 130 2.161 3.867 18.399 1.00 2.63 O ATOM 0 H GLU A 130 2.641 7.339 13.503 1.00 0.45 H new ATOM 0 HA GLU A 130 3.882 6.457 15.828 1.00 0.50 H new ATOM 0 HB2 GLU A 130 1.444 6.121 14.566 1.00 0.62 H new ATOM 0 HB3 GLU A 130 2.111 4.502 14.512 1.00 0.62 H new ATOM 0 HG2 GLU A 130 2.058 6.122 17.080 1.00 1.11 H new ATOM 0 HG3 GLU A 130 0.680 5.169 16.567 1.00 1.11 H new ATOM 1965 N ALA A 131 4.526 4.487 13.235 1.00 0.42 N ATOM 1966 CA ALA A 131 5.360 3.411 12.741 1.00 0.45 C ATOM 1967 C ALA A 131 6.835 3.800 12.808 1.00 0.43 C ATOM 1968 O ALA A 131 7.658 3.052 13.333 1.00 0.49 O ATOM 1969 CB ALA A 131 4.939 3.042 11.314 1.00 0.48 C ATOM 0 H ALA A 131 3.868 4.844 12.542 1.00 0.42 H new ATOM 0 HA ALA A 131 5.226 2.534 13.374 1.00 0.45 H new ATOM 0 HB1 ALA A 131 5.569 2.232 10.947 1.00 0.48 H new ATOM 0 HB2 ALA A 131 3.898 2.720 11.314 1.00 0.48 H new ATOM 0 HB3 ALA A 131 5.050 3.911 10.666 1.00 0.48 H new ATOM 1975 N VAL A 132 7.201 4.959 12.260 1.00 0.39 N ATOM 1976 CA VAL A 132 8.601 5.325 12.185 1.00 0.39 C ATOM 1977 C VAL A 132 9.151 5.650 13.575 1.00 0.44 C ATOM 1978 O VAL A 132 10.322 5.379 13.856 1.00 0.49 O ATOM 1979 CB VAL A 132 8.803 6.434 11.150 1.00 0.39 C ATOM 1980 CG1 VAL A 132 8.409 7.793 11.735 1.00 1.68 C ATOM 1981 CG2 VAL A 132 10.258 6.407 10.668 1.00 1.62 C ATOM 0 H VAL A 132 6.555 5.645 11.870 1.00 0.39 H new ATOM 0 HA VAL A 132 9.189 4.477 11.833 1.00 0.39 H new ATOM 0 HB VAL A 132 8.155 6.266 10.289 1.00 0.39 H new ATOM 0 HG11 VAL A 132 8.559 8.569 10.985 1.00 1.68 H new ATOM 0 HG12 VAL A 132 7.360 7.772 12.030 1.00 1.68 H new ATOM 0 HG13 VAL A 132 9.027 8.007 12.607 1.00 1.68 H new ATOM 0 HG21 VAL A 132 10.411 7.194 9.930 1.00 1.62 H new ATOM 0 HG22 VAL A 132 10.925 6.569 11.515 1.00 1.62 H new ATOM 0 HG23 VAL A 132 10.474 5.439 10.216 1.00 1.62 H new ATOM 1991 N ASP A 133 8.300 6.179 14.461 1.00 0.46 N ATOM 1992 CA ASP A 133 8.654 6.367 15.853 1.00 0.54 C ATOM 1993 C ASP A 133 8.962 5.003 16.468 1.00 0.57 C ATOM 1994 O ASP A 133 9.985 4.823 17.122 1.00 0.62 O ATOM 1995 CB ASP A 133 7.517 7.072 16.604 1.00 0.62 C ATOM 1996 CG ASP A 133 7.643 8.594 16.579 1.00 1.55 C ATOM 1997 OD1 ASP A 133 7.672 9.167 15.467 1.00 2.24 O ATOM 1998 OD2 ASP A 133 7.715 9.167 17.687 1.00 2.58 O ATOM 0 H ASP A 133 7.355 6.484 14.226 1.00 0.46 H new ATOM 0 HA ASP A 133 9.537 7.001 15.931 1.00 0.54 H new ATOM 0 HB2 ASP A 133 6.563 6.784 16.162 1.00 0.62 H new ATOM 0 HB3 ASP A 133 7.505 6.730 17.639 1.00 0.62 H new ATOM 2003 N LYS A 134 8.090 4.025 16.216 1.00 0.58 N ATOM 2004 CA LYS A 134 8.252 2.644 16.649 1.00 0.66 C ATOM 2005 C LYS A 134 9.578 2.057 16.145 1.00 0.64 C ATOM 2006 O LYS A 134 10.258 1.344 16.880 1.00 0.80 O ATOM 2007 CB LYS A 134 7.037 1.833 16.176 1.00 0.73 C ATOM 2008 CG LYS A 134 6.683 0.654 17.079 1.00 0.99 C ATOM 2009 CD LYS A 134 5.323 0.124 16.598 1.00 1.61 C ATOM 2010 CE LYS A 134 4.799 -1.037 17.451 1.00 2.61 C ATOM 2011 NZ LYS A 134 4.427 -0.591 18.809 1.00 2.82 N ATOM 0 H LYS A 134 7.230 4.180 15.691 1.00 0.58 H new ATOM 0 HA LYS A 134 8.297 2.600 17.737 1.00 0.66 H new ATOM 0 HB2 LYS A 134 6.175 2.497 16.109 1.00 0.73 H new ATOM 0 HB3 LYS A 134 7.232 1.461 15.170 1.00 0.73 H new ATOM 0 HG2 LYS A 134 7.445 -0.123 17.018 1.00 0.99 H new ATOM 0 HG3 LYS A 134 6.630 0.967 18.122 1.00 0.99 H new ATOM 0 HD2 LYS A 134 4.596 0.936 16.613 1.00 1.61 H new ATOM 0 HD3 LYS A 134 5.412 -0.204 15.562 1.00 1.61 H new ATOM 0 HE2 LYS A 134 3.932 -1.484 16.964 1.00 2.61 H new ATOM 0 HE3 LYS A 134 5.562 -1.813 17.519 1.00 2.61 H new ATOM 0 HZ1 LYS A 134 4.030 -1.392 19.341 1.00 2.82 H new ATOM 0 HZ2 LYS A 134 5.271 -0.234 19.300 1.00 2.82 H new ATOM 0 HZ3 LYS A 134 3.718 0.167 18.743 1.00 2.82 H new ATOM 2025 N LEU A 135 9.944 2.344 14.891 1.00 0.53 N ATOM 2026 CA LEU A 135 11.249 1.979 14.339 1.00 0.52 C ATOM 2027 C LEU A 135 12.384 2.726 15.048 1.00 0.56 C ATOM 2028 O LEU A 135 13.444 2.147 15.279 1.00 0.82 O ATOM 2029 CB LEU A 135 11.286 2.243 12.825 1.00 0.50 C ATOM 2030 CG LEU A 135 10.856 1.054 11.949 1.00 0.49 C ATOM 2031 CD1 LEU A 135 11.953 -0.014 11.888 1.00 0.50 C ATOM 2032 CD2 LEU A 135 9.526 0.440 12.400 1.00 0.75 C ATOM 0 H LEU A 135 9.342 2.836 14.231 1.00 0.53 H new ATOM 0 HA LEU A 135 11.398 0.913 14.509 1.00 0.52 H new ATOM 0 HB2 LEU A 135 10.639 3.092 12.603 1.00 0.50 H new ATOM 0 HB3 LEU A 135 12.299 2.533 12.546 1.00 0.50 H new ATOM 0 HG LEU A 135 10.700 1.449 10.945 1.00 0.49 H new ATOM 0 HD11 LEU A 135 11.620 -0.842 11.262 1.00 0.50 H new ATOM 0 HD12 LEU A 135 12.859 0.419 11.465 1.00 0.50 H new ATOM 0 HD13 LEU A 135 12.161 -0.380 12.893 1.00 0.50 H new ATOM 0 HD21 LEU A 135 9.271 -0.395 11.747 1.00 0.75 H new ATOM 0 HD22 LEU A 135 9.619 0.083 13.426 1.00 0.75 H new ATOM 0 HD23 LEU A 135 8.741 1.194 12.348 1.00 0.75 H new ATOM 2044 N GLY A 136 12.172 4.002 15.375 1.00 0.49 N ATOM 2045 CA GLY A 136 13.090 4.819 16.155 1.00 0.53 C ATOM 2046 C GLY A 136 13.808 5.853 15.294 1.00 0.51 C ATOM 2047 O GLY A 136 14.997 6.099 15.496 1.00 0.60 O ATOM 0 H GLY A 136 11.331 4.506 15.094 1.00 0.49 H new ATOM 0 HA2 GLY A 136 12.540 5.326 16.947 1.00 0.53 H new ATOM 0 HA3 GLY A 136 13.826 4.176 16.639 1.00 0.53 H new ATOM 2051 N TYR A 137 13.093 6.488 14.361 1.00 0.51 N ATOM 2052 CA TYR A 137 13.577 7.641 13.603 1.00 0.54 C ATOM 2053 C TYR A 137 12.440 8.659 13.556 1.00 0.54 C ATOM 2054 O TYR A 137 11.384 8.385 14.121 1.00 0.62 O ATOM 2055 CB TYR A 137 14.022 7.214 12.196 1.00 0.55 C ATOM 2056 CG TYR A 137 14.814 5.922 12.159 1.00 0.54 C ATOM 2057 CD1 TYR A 137 16.130 5.884 12.655 1.00 1.88 C ATOM 2058 CD2 TYR A 137 14.173 4.724 11.795 1.00 1.67 C ATOM 2059 CE1 TYR A 137 16.799 4.655 12.783 1.00 1.88 C ATOM 2060 CE2 TYR A 137 14.864 3.504 11.866 1.00 1.71 C ATOM 2061 CZ TYR A 137 16.167 3.464 12.381 1.00 0.65 C ATOM 2062 OH TYR A 137 16.837 2.277 12.404 1.00 0.76 O ATOM 0 H TYR A 137 12.145 6.209 14.108 1.00 0.51 H new ATOM 0 HA TYR A 137 14.451 8.085 14.079 1.00 0.54 H new ATOM 0 HB2 TYR A 137 13.139 7.104 11.566 1.00 0.55 H new ATOM 0 HB3 TYR A 137 14.627 8.010 11.761 1.00 0.55 H new ATOM 0 HD1 TYR A 137 16.627 6.800 12.938 1.00 1.88 H new ATOM 0 HD2 TYR A 137 13.146 4.743 11.460 1.00 1.67 H new ATOM 0 HE1 TYR A 137 17.799 4.625 13.190 1.00 1.88 H new ATOM 0 HE2 TYR A 137 14.391 2.595 11.523 1.00 1.71 H new ATOM 0 HH TYR A 137 17.699 2.379 11.948 1.00 0.76 H new ATOM 2072 N LYS A 138 12.623 9.809 12.892 1.00 0.61 N ATOM 2073 CA LYS A 138 11.530 10.755 12.699 1.00 0.64 C ATOM 2074 C LYS A 138 11.292 10.974 11.207 1.00 0.52 C ATOM 2075 O LYS A 138 12.237 11.172 10.440 1.00 0.54 O ATOM 2076 CB LYS A 138 11.705 12.063 13.493 1.00 0.83 C ATOM 2077 CG LYS A 138 12.948 12.892 13.153 1.00 0.94 C ATOM 2078 CD LYS A 138 14.207 12.453 13.915 1.00 1.63 C ATOM 2079 CE LYS A 138 14.209 12.924 15.375 1.00 2.54 C ATOM 2080 NZ LYS A 138 15.379 12.402 16.108 1.00 3.57 N ATOM 0 H LYS A 138 13.512 10.099 12.485 1.00 0.61 H new ATOM 0 HA LYS A 138 10.626 10.315 13.120 1.00 0.64 H new ATOM 0 HB2 LYS A 138 10.823 12.683 13.332 1.00 0.83 H new ATOM 0 HB3 LYS A 138 11.734 11.819 14.555 1.00 0.83 H new ATOM 0 HG2 LYS A 138 13.139 12.823 12.082 1.00 0.94 H new ATOM 0 HG3 LYS A 138 12.747 13.940 13.374 1.00 0.94 H new ATOM 0 HD2 LYS A 138 14.283 11.366 13.888 1.00 1.63 H new ATOM 0 HD3 LYS A 138 15.089 12.847 13.409 1.00 1.63 H new ATOM 0 HE2 LYS A 138 14.214 14.014 15.407 1.00 2.54 H new ATOM 0 HE3 LYS A 138 13.293 12.595 15.866 1.00 2.54 H new ATOM 0 HZ1 LYS A 138 15.351 12.738 17.092 1.00 3.57 H new ATOM 0 HZ2 LYS A 138 15.360 11.362 16.097 1.00 3.57 H new ATOM 0 HZ3 LYS A 138 16.252 12.737 15.652 1.00 3.57 H new ATOM 2094 N LEU A 139 10.017 10.932 10.814 1.00 0.51 N ATOM 2095 CA LEU A 139 9.575 11.401 9.516 1.00 0.53 C ATOM 2096 C LEU A 139 9.235 12.883 9.622 1.00 0.58 C ATOM 2097 O LEU A 139 8.780 13.363 10.660 1.00 0.73 O ATOM 2098 CB LEU A 139 8.348 10.625 9.026 1.00 0.75 C ATOM 2099 CG LEU A 139 8.709 9.253 8.444 1.00 0.43 C ATOM 2100 CD1 LEU A 139 7.442 8.409 8.319 1.00 1.49 C ATOM 2101 CD2 LEU A 139 9.354 9.319 7.061 1.00 1.21 C ATOM 0 H LEU A 139 9.264 10.568 11.398 1.00 0.51 H new ATOM 0 HA LEU A 139 10.377 11.242 8.796 1.00 0.53 H new ATOM 0 HB2 LEU A 139 7.653 10.492 9.855 1.00 0.75 H new ATOM 0 HB3 LEU A 139 7.831 11.212 8.267 1.00 0.75 H new ATOM 0 HG LEU A 139 9.435 8.818 9.131 1.00 0.43 H new ATOM 0 HD11 LEU A 139 7.695 7.433 7.905 1.00 1.49 H new ATOM 0 HD12 LEU A 139 6.992 8.281 9.303 1.00 1.49 H new ATOM 0 HD13 LEU A 139 6.734 8.911 7.659 1.00 1.49 H new ATOM 0 HD21 LEU A 139 9.580 8.310 6.717 1.00 1.21 H new ATOM 0 HD22 LEU A 139 8.667 9.796 6.362 1.00 1.21 H new ATOM 0 HD23 LEU A 139 10.275 9.899 7.117 1.00 1.21 H new ATOM 2113 N LYS A 140 9.411 13.574 8.507 1.00 0.52 N ATOM 2114 CA LYS A 140 8.934 14.902 8.207 1.00 0.53 C ATOM 2115 C LYS A 140 8.214 14.814 6.870 1.00 0.45 C ATOM 2116 O LYS A 140 8.294 13.806 6.172 1.00 0.47 O ATOM 2117 CB LYS A 140 10.111 15.870 8.081 1.00 0.59 C ATOM 2118 CG LYS A 140 10.607 16.356 9.441 1.00 0.83 C ATOM 2119 CD LYS A 140 11.611 17.484 9.191 1.00 1.48 C ATOM 2120 CE LYS A 140 11.980 18.174 10.508 1.00 1.77 C ATOM 2121 NZ LYS A 140 13.211 18.971 10.354 1.00 2.72 N ATOM 0 H LYS A 140 9.937 13.181 7.727 1.00 0.52 H new ATOM 0 HA LYS A 140 8.276 15.264 8.997 1.00 0.53 H new ATOM 0 HB2 LYS A 140 10.928 15.379 7.553 1.00 0.59 H new ATOM 0 HB3 LYS A 140 9.811 16.727 7.478 1.00 0.59 H new ATOM 0 HG2 LYS A 140 9.774 16.712 10.047 1.00 0.83 H new ATOM 0 HG3 LYS A 140 11.076 15.541 9.991 1.00 0.83 H new ATOM 0 HD2 LYS A 140 12.508 17.083 8.720 1.00 1.48 H new ATOM 0 HD3 LYS A 140 11.186 18.211 8.499 1.00 1.48 H new ATOM 0 HE2 LYS A 140 11.161 18.819 10.828 1.00 1.77 H new ATOM 0 HE3 LYS A 140 12.121 17.426 11.289 1.00 1.77 H new ATOM 0 HZ1 LYS A 140 13.289 19.646 11.142 1.00 2.72 H new ATOM 0 HZ2 LYS A 140 14.037 18.339 10.357 1.00 2.72 H new ATOM 0 HZ3 LYS A 140 13.177 19.492 9.454 1.00 2.72 H new ATOM 2135 N LEU A 141 7.515 15.884 6.515 1.00 0.44 N ATOM 2136 CA LEU A 141 6.756 15.982 5.287 1.00 0.44 C ATOM 2137 C LEU A 141 7.503 16.862 4.283 1.00 0.49 C ATOM 2138 O LEU A 141 8.263 17.752 4.674 1.00 0.73 O ATOM 2139 CB LEU A 141 5.379 16.547 5.634 1.00 0.56 C ATOM 2140 CG LEU A 141 4.674 15.655 6.677 1.00 0.80 C ATOM 2141 CD1 LEU A 141 4.812 16.164 8.119 1.00 1.05 C ATOM 2142 CD2 LEU A 141 3.192 15.545 6.340 1.00 1.63 C ATOM 0 H LEU A 141 7.462 16.725 7.090 1.00 0.44 H new ATOM 0 HA LEU A 141 6.631 15.005 4.820 1.00 0.44 H new ATOM 0 HB2 LEU A 141 5.483 17.559 6.024 1.00 0.56 H new ATOM 0 HB3 LEU A 141 4.769 16.614 4.733 1.00 0.56 H new ATOM 0 HG LEU A 141 5.167 14.684 6.628 1.00 0.80 H new ATOM 0 HD11 LEU A 141 4.291 15.486 8.795 1.00 1.05 H new ATOM 0 HD12 LEU A 141 5.867 16.208 8.390 1.00 1.05 H new ATOM 0 HD13 LEU A 141 4.376 17.160 8.197 1.00 1.05 H new ATOM 0 HD21 LEU A 141 2.697 14.914 7.078 1.00 1.63 H new ATOM 0 HD22 LEU A 141 2.742 16.538 6.350 1.00 1.63 H new ATOM 0 HD23 LEU A 141 3.076 15.104 5.350 1.00 1.63 H new ATOM 2154 N LYS A 142 7.312 16.626 2.984 1.00 0.50 N ATOM 2155 CA LYS A 142 7.645 17.584 1.932 1.00 0.78 C ATOM 2156 C LYS A 142 6.371 18.277 1.470 1.00 1.23 C ATOM 2157 O LYS A 142 5.610 17.740 0.673 1.00 1.56 O ATOM 2158 CB LYS A 142 8.332 16.888 0.754 1.00 0.66 C ATOM 2159 CG LYS A 142 9.822 17.232 0.664 1.00 1.36 C ATOM 2160 CD LYS A 142 10.621 16.733 1.873 1.00 2.15 C ATOM 2161 CE LYS A 142 11.398 17.831 2.637 1.00 3.49 C ATOM 2162 NZ LYS A 142 10.625 18.483 3.720 1.00 5.75 N ATOM 0 H LYS A 142 6.917 15.754 2.630 1.00 0.50 H new ATOM 0 HA LYS A 142 8.340 18.323 2.330 1.00 0.78 H new ATOM 0 HB2 LYS A 142 8.216 15.809 0.855 1.00 0.66 H new ATOM 0 HB3 LYS A 142 7.838 17.177 -0.174 1.00 0.66 H new ATOM 0 HG2 LYS A 142 10.237 16.796 -0.245 1.00 1.36 H new ATOM 0 HG3 LYS A 142 9.936 18.313 0.580 1.00 1.36 H new ATOM 0 HD2 LYS A 142 9.936 16.244 2.566 1.00 2.15 H new ATOM 0 HD3 LYS A 142 11.328 15.976 1.535 1.00 2.15 H new ATOM 0 HE2 LYS A 142 12.300 17.392 3.064 1.00 3.49 H new ATOM 0 HE3 LYS A 142 11.720 18.593 1.927 1.00 3.49 H new ATOM 0 HZ1 LYS A 142 11.201 18.517 4.585 1.00 5.75 H new ATOM 0 HZ2 LYS A 142 10.374 19.451 3.433 1.00 5.75 H new ATOM 0 HZ3 LYS A 142 9.757 17.940 3.903 1.00 5.75 H new