USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=30 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 88 CYS SG : rot -93:sc= 0.354 USER MOD Set 1.2: A 137 TYR OH : rot 30:sc= 0.328 USER MOD Set 2.1: A 97 ASN : amide:sc= 2.21 K(o=3.5,f=-8.5!) USER MOD Set 2.2: A 98 LYS NZ :NH3+ -170:sc= 1.3 (180deg=0) USER MOD Set 3.1: A 61 GLN : amide:sc= 0.00338 K(o=0.77,f=-1.1) USER MOD Set 3.2: A 104 ASN : amide:sc= 0.77 K(o=0.77,f=-0.43) USER MOD Set 4.1: A 40 ASN : amide:sc= -0.789 K(o=-1.3,f=-14!) USER MOD Set 4.2: A 43 THR OG1 : rot 180:sc= -0.476 USER MOD Set 5.1: A 16 THR OG1 : rot -177:sc= 0.694 USER MOD Set 5.2: A 20 CYS SG : rot 160:sc= 1.64 USER MOD Set 5.3: A 69 TYR OH : rot -137:sc= 0.845 USER MOD Set 6.1: A 5 GLN : amide:sc= 1.42 K(o=2.1,f=-6.4!) USER MOD Set 6.2: A 35 THR OG1 : rot 149:sc= 0.658 USER MOD Single : A 6 LYS NZ :NH3+ -144:sc= -0.352 (180deg=-1.47) USER MOD Single : A 10 MET CE :methyl -173:sc= 0 (180deg=-0.0752) USER MOD Single : A 11 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.69) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -167:sc= -0.567 (180deg=-0.992) USER MOD Single : A 17 CYS SG : rot 59:sc= 0.33 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 1.23 (180deg=1.23) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0.363 X(o=0.36,f=-0.08) USER MOD Single : A 45 THR OG1 : rot -64:sc= 1.25 USER MOD Single : A 47 ASN : amide:sc= 0.141 K(o=0.14,f=-0.84) USER MOD Single : A 50 TYR OH : rot 150:sc= -0.31 USER MOD Single : A 55 THR OG1 : rot -160:sc= 0.0137 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HE2:sc= -0.162 K(o=-0.16,f=-0.98) USER MOD Single : A 73 THR OG1 : rot -41:sc= -0.189 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -121:sc= -0.424 (180deg=-1.64) USER MOD Single : A 90 ASN : amide:sc= -0.027 K(o=-0.027,f=-1.5!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN : amide:sc= -0.718 X(o=-0.72,f=-0.33) USER MOD Single : A 113 THR OG1 : rot 154:sc= 1.27 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 30:sc= 0 USER MOD Single : A 119 ASN : amide:sc= -0.733 X(o=-0.73,f=-0.74) USER MOD Single : A 121 LYS NZ :NH3+ -177:sc=-0.00189 (180deg=-0.0276) USER MOD Single : A 124 SER OG : rot 30:sc= 1.05 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 131:sc= -0.153 (180deg=-1.3) USER MOD Single : A 134 LYS NZ :NH3+ 162:sc= 1.27 (180deg=1.1) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 142:sc= 1.19 (180deg=0.872) USER MOD Single : A 142 LYS NZ :NH3+ -166:sc= 0.844 (180deg=-0.132) USER MOD ----------------------------------------------------------------- ATOM 65 N GLN A 5 1.276 -15.217 4.525 1.00 0.83 N ATOM 66 CA GLN A 5 0.194 -14.547 3.824 1.00 0.75 C ATOM 67 C GLN A 5 -0.051 -13.197 4.480 1.00 0.84 C ATOM 68 O GLN A 5 -0.172 -13.127 5.701 1.00 1.19 O ATOM 69 CB GLN A 5 -1.085 -15.396 3.850 1.00 0.89 C ATOM 70 CG GLN A 5 -0.852 -16.803 3.295 1.00 0.99 C ATOM 71 CD GLN A 5 -0.066 -16.736 1.995 1.00 0.99 C ATOM 72 OE1 GLN A 5 -0.427 -16.001 1.086 1.00 2.06 O ATOM 73 NE2 GLN A 5 1.065 -17.422 1.955 1.00 1.52 N ATOM 0 HA GLN A 5 0.474 -14.405 2.780 1.00 0.75 H new ATOM 0 HB2 GLN A 5 -1.452 -15.467 4.874 1.00 0.89 H new ATOM 0 HB3 GLN A 5 -1.861 -14.900 3.267 1.00 0.89 H new ATOM 0 HG2 GLN A 5 -0.309 -17.404 4.025 1.00 0.99 H new ATOM 0 HG3 GLN A 5 -1.809 -17.297 3.124 1.00 0.99 H new ATOM 0 HE21 GLN A 5 1.325 -18.023 2.737 1.00 1.52 H new ATOM 0 HE22 GLN A 5 1.677 -17.350 1.142 1.00 1.52 H new ATOM 82 N LYS A 6 -0.101 -12.134 3.676 1.00 0.68 N ATOM 83 CA LYS A 6 -0.351 -10.799 4.182 1.00 0.70 C ATOM 84 C LYS A 6 -1.563 -10.206 3.497 1.00 0.68 C ATOM 85 O LYS A 6 -1.783 -10.458 2.310 1.00 0.92 O ATOM 86 CB LYS A 6 0.866 -9.903 3.979 1.00 0.93 C ATOM 87 CG LYS A 6 1.356 -9.863 2.528 1.00 1.35 C ATOM 88 CD LYS A 6 2.127 -8.568 2.274 1.00 1.77 C ATOM 89 CE LYS A 6 3.338 -8.436 3.207 1.00 2.81 C ATOM 90 NZ LYS A 6 3.006 -7.779 4.495 1.00 4.47 N ATOM 0 H LYS A 6 0.030 -12.181 2.666 1.00 0.68 H new ATOM 0 HA LYS A 6 -0.545 -10.866 5.252 1.00 0.70 H new ATOM 0 HB2 LYS A 6 0.620 -8.891 4.300 1.00 0.93 H new ATOM 0 HB3 LYS A 6 1.676 -10.252 4.619 1.00 0.93 H new ATOM 0 HG2 LYS A 6 1.996 -10.722 2.327 1.00 1.35 H new ATOM 0 HG3 LYS A 6 0.508 -9.931 1.847 1.00 1.35 H new ATOM 0 HD2 LYS A 6 2.462 -8.541 1.237 1.00 1.77 H new ATOM 0 HD3 LYS A 6 1.463 -7.715 2.417 1.00 1.77 H new ATOM 0 HE2 LYS A 6 3.747 -9.427 3.405 1.00 2.81 H new ATOM 0 HE3 LYS A 6 4.117 -7.864 2.704 1.00 2.81 H new ATOM 0 HZ1 LYS A 6 3.805 -7.186 4.798 1.00 4.47 H new ATOM 0 HZ2 LYS A 6 2.160 -7.186 4.374 1.00 4.47 H new ATOM 0 HZ3 LYS A 6 2.820 -8.504 5.217 1.00 4.47 H new ATOM 104 N GLU A 7 -2.284 -9.373 4.240 1.00 0.64 N ATOM 105 CA GLU A 7 -3.317 -8.512 3.726 1.00 0.69 C ATOM 106 C GLU A 7 -2.678 -7.247 3.153 1.00 0.88 C ATOM 107 O GLU A 7 -1.589 -6.830 3.555 1.00 1.35 O ATOM 108 CB GLU A 7 -4.340 -8.173 4.828 1.00 0.85 C ATOM 109 CG GLU A 7 -3.752 -7.517 6.090 1.00 2.26 C ATOM 110 CD GLU A 7 -3.216 -8.532 7.093 1.00 1.92 C ATOM 111 OE1 GLU A 7 -2.063 -8.972 6.883 1.00 2.47 O ATOM 112 OE2 GLU A 7 -3.975 -8.865 8.028 1.00 2.50 O ATOM 0 H GLU A 7 -2.153 -9.284 5.248 1.00 0.64 H new ATOM 0 HA GLU A 7 -3.856 -9.025 2.930 1.00 0.69 H new ATOM 0 HB2 GLU A 7 -5.093 -7.506 4.409 1.00 0.85 H new ATOM 0 HB3 GLU A 7 -4.853 -9.090 5.120 1.00 0.85 H new ATOM 0 HG2 GLU A 7 -2.948 -6.841 5.800 1.00 2.26 H new ATOM 0 HG3 GLU A 7 -4.521 -6.911 6.570 1.00 2.26 H new ATOM 119 N ILE A 8 -3.389 -6.629 2.218 1.00 0.65 N ATOM 120 CA ILE A 8 -3.243 -5.221 1.880 1.00 0.71 C ATOM 121 C ILE A 8 -4.658 -4.673 1.690 1.00 0.73 C ATOM 122 O ILE A 8 -5.466 -5.314 1.013 1.00 0.66 O ATOM 123 CB ILE A 8 -2.322 -5.049 0.657 1.00 0.76 C ATOM 124 CG1 ILE A 8 -2.215 -3.583 0.208 1.00 0.84 C ATOM 125 CG2 ILE A 8 -2.760 -5.953 -0.493 1.00 0.94 C ATOM 126 CD1 ILE A 8 -1.170 -3.386 -0.897 1.00 2.24 C ATOM 0 H ILE A 8 -4.099 -7.105 1.662 1.00 0.65 H new ATOM 0 HA ILE A 8 -2.752 -4.650 2.668 1.00 0.71 H new ATOM 0 HB ILE A 8 -1.323 -5.356 0.965 1.00 0.76 H new ATOM 0 HG12 ILE A 8 -3.187 -3.243 -0.150 1.00 0.84 H new ATOM 0 HG13 ILE A 8 -1.956 -2.961 1.065 1.00 0.84 H new ATOM 0 HG21 ILE A 8 -2.092 -5.810 -1.343 1.00 0.94 H new ATOM 0 HG22 ILE A 8 -2.722 -6.994 -0.172 1.00 0.94 H new ATOM 0 HG23 ILE A 8 -3.779 -5.701 -0.786 1.00 0.94 H new ATOM 0 HD11 ILE A 8 -1.133 -2.334 -1.179 1.00 2.24 H new ATOM 0 HD12 ILE A 8 -0.192 -3.699 -0.532 1.00 2.24 H new ATOM 0 HD13 ILE A 8 -1.442 -3.985 -1.766 1.00 2.24 H new ATOM 138 N ALA A 9 -4.975 -3.543 2.332 1.00 0.87 N ATOM 139 CA ALA A 9 -6.300 -2.941 2.357 1.00 0.81 C ATOM 140 C ALA A 9 -6.213 -1.561 1.722 1.00 0.79 C ATOM 141 O ALA A 9 -5.389 -0.760 2.148 1.00 0.94 O ATOM 142 CB ALA A 9 -6.783 -2.843 3.808 1.00 0.89 C ATOM 0 H ALA A 9 -4.288 -3.009 2.865 1.00 0.87 H new ATOM 0 HA ALA A 9 -7.011 -3.549 1.798 1.00 0.81 H new ATOM 0 HB1 ALA A 9 -7.775 -2.393 3.832 1.00 0.89 H new ATOM 0 HB2 ALA A 9 -6.827 -3.841 4.245 1.00 0.89 H new ATOM 0 HB3 ALA A 9 -6.091 -2.226 4.381 1.00 0.89 H new ATOM 148 N MET A 10 -7.025 -1.280 0.700 1.00 0.62 N ATOM 149 CA MET A 10 -7.020 0.012 0.020 1.00 0.62 C ATOM 150 C MET A 10 -8.418 0.370 -0.497 1.00 0.57 C ATOM 151 O MET A 10 -9.232 -0.511 -0.766 1.00 0.73 O ATOM 152 CB MET A 10 -5.988 -0.010 -1.125 1.00 0.65 C ATOM 153 CG MET A 10 -4.552 0.234 -0.623 1.00 0.83 C ATOM 154 SD MET A 10 -3.351 0.770 -1.868 1.00 1.62 S ATOM 155 CE MET A 10 -3.258 -0.708 -2.901 1.00 2.00 C ATOM 0 H MET A 10 -7.703 -1.943 0.323 1.00 0.62 H new ATOM 0 HA MET A 10 -6.734 0.785 0.733 1.00 0.62 H new ATOM 0 HB2 MET A 10 -6.034 -0.973 -1.634 1.00 0.65 H new ATOM 0 HB3 MET A 10 -6.248 0.752 -1.860 1.00 0.65 H new ATOM 0 HG2 MET A 10 -4.588 0.986 0.165 1.00 0.83 H new ATOM 0 HG3 MET A 10 -4.187 -0.687 -0.168 1.00 0.83 H new ATOM 0 HE1 MET A 10 -2.468 -0.585 -3.641 1.00 2.00 H new ATOM 0 HE2 MET A 10 -3.039 -1.575 -2.277 1.00 2.00 H new ATOM 0 HE3 MET A 10 -4.211 -0.858 -3.409 1.00 2.00 H new ATOM 165 N GLN A 11 -8.679 1.668 -0.668 1.00 0.48 N ATOM 166 CA GLN A 11 -9.892 2.201 -1.266 1.00 0.49 C ATOM 167 C GLN A 11 -9.742 2.223 -2.790 1.00 0.44 C ATOM 168 O GLN A 11 -8.804 2.847 -3.300 1.00 0.59 O ATOM 169 CB GLN A 11 -10.157 3.620 -0.724 1.00 0.63 C ATOM 170 CG GLN A 11 -11.569 3.724 -0.151 1.00 0.94 C ATOM 171 CD GLN A 11 -11.920 5.143 0.276 1.00 1.21 C ATOM 172 OE1 GLN A 11 -11.734 6.098 -0.475 1.00 1.84 O ATOM 173 NE2 GLN A 11 -12.437 5.309 1.490 1.00 1.58 N ATOM 0 H GLN A 11 -8.025 2.397 -0.382 1.00 0.48 H new ATOM 0 HA GLN A 11 -10.740 1.567 -1.007 1.00 0.49 H new ATOM 0 HB2 GLN A 11 -9.427 3.862 0.048 1.00 0.63 H new ATOM 0 HB3 GLN A 11 -10.029 4.350 -1.523 1.00 0.63 H new ATOM 0 HG2 GLN A 11 -12.287 3.384 -0.898 1.00 0.94 H new ATOM 0 HG3 GLN A 11 -11.660 3.057 0.706 1.00 0.94 H new ATOM 0 HE21 GLN A 11 -12.583 4.502 2.097 1.00 1.58 H new ATOM 0 HE22 GLN A 11 -12.688 6.243 1.814 1.00 1.58 H new ATOM 182 N VAL A 12 -10.662 1.568 -3.510 1.00 0.39 N ATOM 183 CA VAL A 12 -10.717 1.522 -4.960 1.00 0.38 C ATOM 184 C VAL A 12 -12.032 2.145 -5.432 1.00 0.32 C ATOM 185 O VAL A 12 -13.079 1.900 -4.837 1.00 0.42 O ATOM 186 CB VAL A 12 -10.537 0.070 -5.435 1.00 0.50 C ATOM 187 CG1 VAL A 12 -11.637 -0.881 -4.948 1.00 0.57 C ATOM 188 CG2 VAL A 12 -10.512 0.011 -6.958 1.00 0.62 C ATOM 0 H VAL A 12 -11.415 1.037 -3.072 1.00 0.39 H new ATOM 0 HA VAL A 12 -9.906 2.103 -5.399 1.00 0.38 H new ATOM 0 HB VAL A 12 -9.592 -0.259 -5.004 1.00 0.50 H new ATOM 0 HG11 VAL A 12 -11.442 -1.886 -5.323 1.00 0.57 H new ATOM 0 HG12 VAL A 12 -11.648 -0.896 -3.858 1.00 0.57 H new ATOM 0 HG13 VAL A 12 -12.604 -0.538 -5.316 1.00 0.57 H new ATOM 0 HG21 VAL A 12 -10.384 -1.022 -7.280 1.00 0.62 H new ATOM 0 HG22 VAL A 12 -11.450 0.401 -7.353 1.00 0.62 H new ATOM 0 HG23 VAL A 12 -9.684 0.613 -7.332 1.00 0.62 H new ATOM 198 N SER A 13 -11.968 2.947 -6.497 1.00 0.41 N ATOM 199 CA SER A 13 -13.112 3.607 -7.107 1.00 0.42 C ATOM 200 C SER A 13 -13.526 2.884 -8.383 1.00 0.50 C ATOM 201 O SER A 13 -12.747 2.120 -8.948 1.00 0.73 O ATOM 202 CB SER A 13 -12.733 5.028 -7.498 1.00 0.54 C ATOM 203 OG SER A 13 -12.116 5.704 -6.424 1.00 0.77 O ATOM 0 H SER A 13 -11.089 3.158 -6.969 1.00 0.41 H new ATOM 0 HA SER A 13 -13.929 3.601 -6.385 1.00 0.42 H new ATOM 0 HB2 SER A 13 -12.058 5.005 -8.353 1.00 0.54 H new ATOM 0 HB3 SER A 13 -13.624 5.572 -7.810 1.00 0.54 H new ATOM 0 HG SER A 13 -11.881 6.614 -6.702 1.00 0.77 H new ATOM 209 N GLY A 14 -14.740 3.182 -8.854 1.00 0.49 N ATOM 210 CA GLY A 14 -15.362 2.510 -9.986 1.00 0.58 C ATOM 211 C GLY A 14 -16.231 1.345 -9.515 1.00 0.59 C ATOM 212 O GLY A 14 -16.901 0.703 -10.320 1.00 0.64 O ATOM 0 H GLY A 14 -15.325 3.912 -8.448 1.00 0.49 H new ATOM 0 HA2 GLY A 14 -15.970 3.220 -10.547 1.00 0.58 H new ATOM 0 HA3 GLY A 14 -14.592 2.144 -10.665 1.00 0.58 H new ATOM 216 N MET A 15 -16.237 1.067 -8.206 1.00 0.63 N ATOM 217 CA MET A 15 -17.084 0.017 -7.655 1.00 0.68 C ATOM 218 C MET A 15 -18.569 0.384 -7.754 1.00 0.72 C ATOM 219 O MET A 15 -19.087 1.130 -6.930 1.00 0.95 O ATOM 220 CB MET A 15 -16.705 -0.301 -6.201 1.00 0.76 C ATOM 221 CG MET A 15 -15.749 -1.492 -6.100 1.00 0.89 C ATOM 222 SD MET A 15 -15.764 -2.314 -4.491 1.00 1.62 S ATOM 223 CE MET A 15 -15.120 -1.026 -3.410 1.00 2.80 C ATOM 0 H MET A 15 -15.666 1.555 -7.516 1.00 0.63 H new ATOM 0 HA MET A 15 -16.917 -0.878 -8.254 1.00 0.68 H new ATOM 0 HB2 MET A 15 -16.240 0.575 -5.749 1.00 0.76 H new ATOM 0 HB3 MET A 15 -17.609 -0.513 -5.630 1.00 0.76 H new ATOM 0 HG2 MET A 15 -16.008 -2.219 -6.870 1.00 0.89 H new ATOM 0 HG3 MET A 15 -14.736 -1.150 -6.312 1.00 0.89 H new ATOM 0 HE1 MET A 15 -14.859 -1.459 -2.444 1.00 2.80 H new ATOM 0 HE2 MET A 15 -14.232 -0.583 -3.861 1.00 2.80 H new ATOM 0 HE3 MET A 15 -15.879 -0.256 -3.269 1.00 2.80 H new ATOM 233 N THR A 16 -19.281 -0.235 -8.699 1.00 0.76 N ATOM 234 CA THR A 16 -20.739 -0.206 -8.750 1.00 0.99 C ATOM 235 C THR A 16 -21.353 -0.969 -7.566 1.00 1.21 C ATOM 236 O THR A 16 -22.544 -0.838 -7.306 1.00 1.37 O ATOM 237 CB THR A 16 -21.197 -0.743 -10.114 1.00 1.24 C ATOM 238 OG1 THR A 16 -20.465 -0.058 -11.109 1.00 1.24 O ATOM 239 CG2 THR A 16 -22.687 -0.527 -10.390 1.00 1.57 C ATOM 0 H THR A 16 -18.856 -0.773 -9.454 1.00 0.76 H new ATOM 0 HA THR A 16 -21.096 0.819 -8.652 1.00 0.99 H new ATOM 0 HB THR A 16 -21.024 -1.819 -10.118 1.00 1.24 H new ATOM 0 HG1 THR A 16 -20.768 -0.346 -11.995 1.00 1.24 H new ATOM 0 HG21 THR A 16 -22.938 -0.931 -11.371 1.00 1.57 H new ATOM 0 HG22 THR A 16 -23.276 -1.035 -9.627 1.00 1.57 H new ATOM 0 HG23 THR A 16 -22.910 0.540 -10.370 1.00 1.57 H new ATOM 247 N CYS A 17 -20.542 -1.753 -6.841 1.00 1.41 N ATOM 248 CA CYS A 17 -20.891 -2.335 -5.542 1.00 1.99 C ATOM 249 C CYS A 17 -21.854 -3.497 -5.752 1.00 1.76 C ATOM 250 O CYS A 17 -22.921 -3.575 -5.151 1.00 2.99 O ATOM 251 CB CYS A 17 -21.415 -1.296 -4.529 1.00 3.32 C ATOM 252 SG CYS A 17 -20.090 -0.187 -4.000 1.00 5.19 S ATOM 0 H CYS A 17 -19.603 -2.004 -7.151 1.00 1.41 H new ATOM 0 HA CYS A 17 -19.979 -2.718 -5.085 1.00 1.99 H new ATOM 0 HB2 CYS A 17 -22.221 -0.717 -4.980 1.00 3.32 H new ATOM 0 HB3 CYS A 17 -21.835 -1.807 -3.662 1.00 3.32 H new ATOM 0 HG CYS A 17 -19.599 0.427 -5.035 1.00 5.19 H new ATOM 258 N ALA A 18 -21.429 -4.418 -6.619 1.00 1.39 N ATOM 259 CA ALA A 18 -22.117 -5.646 -6.973 1.00 1.66 C ATOM 260 C ALA A 18 -21.153 -6.428 -7.872 1.00 1.54 C ATOM 261 O ALA A 18 -20.033 -6.739 -7.459 1.00 2.50 O ATOM 262 CB ALA A 18 -23.466 -5.329 -7.647 1.00 2.42 C ATOM 0 H ALA A 18 -20.545 -4.314 -7.117 1.00 1.39 H new ATOM 0 HA ALA A 18 -22.371 -6.250 -6.102 1.00 1.66 H new ATOM 0 HB1 ALA A 18 -23.970 -6.260 -7.907 1.00 2.42 H new ATOM 0 HB2 ALA A 18 -24.090 -4.757 -6.960 1.00 2.42 H new ATOM 0 HB3 ALA A 18 -23.293 -4.746 -8.551 1.00 2.42 H new ATOM 268 N ALA A 19 -21.541 -6.663 -9.130 1.00 1.03 N ATOM 269 CA ALA A 19 -20.740 -7.374 -10.111 1.00 0.93 C ATOM 270 C ALA A 19 -19.335 -6.787 -10.260 1.00 0.76 C ATOM 271 O ALA A 19 -18.405 -7.527 -10.559 1.00 0.74 O ATOM 272 CB ALA A 19 -21.462 -7.372 -11.462 1.00 1.21 C ATOM 0 H ALA A 19 -22.442 -6.354 -9.495 1.00 1.03 H new ATOM 0 HA ALA A 19 -20.618 -8.397 -9.755 1.00 0.93 H new ATOM 0 HB1 ALA A 19 -20.860 -7.906 -12.197 1.00 1.21 H new ATOM 0 HB2 ALA A 19 -22.429 -7.864 -11.359 1.00 1.21 H new ATOM 0 HB3 ALA A 19 -21.612 -6.344 -11.793 1.00 1.21 H new ATOM 278 N CYS A 20 -19.163 -5.474 -10.073 1.00 0.69 N ATOM 279 CA CYS A 20 -17.894 -4.810 -10.317 1.00 0.63 C ATOM 280 C CYS A 20 -16.853 -5.327 -9.335 1.00 0.55 C ATOM 281 O CYS A 20 -15.823 -5.886 -9.713 1.00 0.55 O ATOM 282 CB CYS A 20 -18.091 -3.300 -10.147 1.00 0.66 C ATOM 283 SG CYS A 20 -18.623 -2.582 -11.717 1.00 0.72 S ATOM 0 H CYS A 20 -19.902 -4.850 -9.749 1.00 0.69 H new ATOM 0 HA CYS A 20 -17.546 -5.017 -11.329 1.00 0.63 H new ATOM 0 HB2 CYS A 20 -18.835 -3.104 -9.375 1.00 0.66 H new ATOM 0 HB3 CYS A 20 -17.161 -2.836 -9.819 1.00 0.66 H new ATOM 0 HG CYS A 20 -19.198 -1.437 -11.498 1.00 0.72 H new ATOM 289 N ALA A 21 -17.168 -5.161 -8.050 1.00 0.56 N ATOM 290 CA ALA A 21 -16.353 -5.635 -6.951 1.00 0.65 C ATOM 291 C ALA A 21 -16.079 -7.129 -7.141 1.00 0.70 C ATOM 292 O ALA A 21 -14.931 -7.564 -7.195 1.00 0.66 O ATOM 293 CB ALA A 21 -17.098 -5.331 -5.647 1.00 0.89 C ATOM 0 H ALA A 21 -18.016 -4.682 -7.747 1.00 0.56 H new ATOM 0 HA ALA A 21 -15.385 -5.134 -6.915 1.00 0.65 H new ATOM 0 HB1 ALA A 21 -16.506 -5.678 -4.800 1.00 0.89 H new ATOM 0 HB2 ALA A 21 -17.258 -4.256 -5.562 1.00 0.89 H new ATOM 0 HB3 ALA A 21 -18.061 -5.842 -5.650 1.00 0.89 H new ATOM 299 N ALA A 22 -17.148 -7.909 -7.319 1.00 0.82 N ATOM 300 CA ALA A 22 -17.036 -9.348 -7.507 1.00 0.94 C ATOM 301 C ALA A 22 -16.132 -9.700 -8.692 1.00 0.87 C ATOM 302 O ALA A 22 -15.370 -10.658 -8.614 1.00 0.92 O ATOM 303 CB ALA A 22 -18.430 -9.952 -7.681 1.00 1.13 C ATOM 0 H ALA A 22 -18.106 -7.560 -7.336 1.00 0.82 H new ATOM 0 HA ALA A 22 -16.570 -9.774 -6.619 1.00 0.94 H new ATOM 0 HB1 ALA A 22 -18.345 -11.030 -7.822 1.00 1.13 H new ATOM 0 HB2 ALA A 22 -19.028 -9.748 -6.793 1.00 1.13 H new ATOM 0 HB3 ALA A 22 -18.912 -9.509 -8.553 1.00 1.13 H new ATOM 309 N ARG A 23 -16.203 -8.947 -9.794 1.00 0.80 N ATOM 310 CA ARG A 23 -15.367 -9.179 -10.956 1.00 0.83 C ATOM 311 C ARG A 23 -13.906 -8.997 -10.589 1.00 0.70 C ATOM 312 O ARG A 23 -13.078 -9.802 -11.015 1.00 0.76 O ATOM 313 CB ARG A 23 -15.742 -8.243 -12.115 1.00 0.85 C ATOM 314 CG ARG A 23 -16.695 -8.917 -13.104 1.00 1.09 C ATOM 315 CD ARG A 23 -16.004 -10.115 -13.778 1.00 1.26 C ATOM 316 NE ARG A 23 -16.320 -10.166 -15.217 1.00 1.53 N ATOM 317 CZ ARG A 23 -15.755 -10.994 -16.111 1.00 1.83 C ATOM 318 NH1 ARG A 23 -14.859 -11.900 -15.703 1.00 2.42 N ATOM 319 NH2 ARG A 23 -16.087 -10.912 -17.405 1.00 2.02 N ATOM 0 H ARG A 23 -16.845 -8.161 -9.897 1.00 0.80 H new ATOM 0 HA ARG A 23 -15.531 -10.204 -11.289 1.00 0.83 H new ATOM 0 HB2 ARG A 23 -16.208 -7.341 -11.718 1.00 0.85 H new ATOM 0 HB3 ARG A 23 -14.838 -7.931 -12.637 1.00 0.85 H new ATOM 0 HG2 ARG A 23 -17.593 -9.251 -12.584 1.00 1.09 H new ATOM 0 HG3 ARG A 23 -17.013 -8.199 -13.860 1.00 1.09 H new ATOM 0 HD2 ARG A 23 -14.925 -10.041 -13.641 1.00 1.26 H new ATOM 0 HD3 ARG A 23 -16.323 -11.040 -13.299 1.00 1.26 H new ATOM 0 HE ARG A 23 -17.027 -9.518 -15.563 1.00 1.53 H new ATOM 0 HH11 ARG A 23 -14.607 -11.960 -14.716 1.00 2.42 H new ATOM 0 HH12 ARG A 23 -14.428 -12.531 -16.379 1.00 2.42 H new ATOM 0 HH21 ARG A 23 -16.770 -10.220 -17.713 1.00 2.02 H new ATOM 0 HH22 ARG A 23 -15.657 -11.541 -18.083 1.00 2.02 H new ATOM 333 N ILE A 24 -13.587 -7.956 -9.817 1.00 0.58 N ATOM 334 CA ILE A 24 -12.230 -7.771 -9.361 1.00 0.51 C ATOM 335 C ILE A 24 -11.844 -8.991 -8.534 1.00 0.50 C ATOM 336 O ILE A 24 -10.944 -9.721 -8.933 1.00 0.59 O ATOM 337 CB ILE A 24 -12.075 -6.441 -8.612 1.00 0.45 C ATOM 338 CG1 ILE A 24 -12.388 -5.260 -9.551 1.00 0.58 C ATOM 339 CG2 ILE A 24 -10.641 -6.314 -8.112 1.00 0.49 C ATOM 340 CD1 ILE A 24 -12.724 -3.979 -8.788 1.00 0.50 C ATOM 0 H ILE A 24 -14.247 -7.244 -9.504 1.00 0.58 H new ATOM 0 HA ILE A 24 -11.541 -7.698 -10.202 1.00 0.51 H new ATOM 0 HB ILE A 24 -12.770 -6.422 -7.772 1.00 0.45 H new ATOM 0 HG12 ILE A 24 -11.531 -5.079 -10.200 1.00 0.58 H new ATOM 0 HG13 ILE A 24 -13.226 -5.525 -10.196 1.00 0.58 H new ATOM 0 HG21 ILE A 24 -10.524 -5.371 -7.579 1.00 0.49 H new ATOM 0 HG22 ILE A 24 -10.416 -7.142 -7.439 1.00 0.49 H new ATOM 0 HG23 ILE A 24 -9.956 -6.339 -8.960 1.00 0.49 H new ATOM 0 HD11 ILE A 24 -12.936 -3.178 -9.497 1.00 0.50 H new ATOM 0 HD12 ILE A 24 -13.598 -4.149 -8.159 1.00 0.50 H new ATOM 0 HD13 ILE A 24 -11.877 -3.695 -8.163 1.00 0.50 H new ATOM 352 N GLU A 25 -12.537 -9.272 -7.430 1.00 0.53 N ATOM 353 CA GLU A 25 -12.108 -10.328 -6.527 1.00 0.60 C ATOM 354 C GLU A 25 -12.002 -11.678 -7.242 1.00 0.73 C ATOM 355 O GLU A 25 -11.039 -12.415 -7.040 1.00 0.74 O ATOM 356 CB GLU A 25 -13.037 -10.386 -5.313 1.00 0.93 C ATOM 357 CG GLU A 25 -13.173 -9.021 -4.624 1.00 0.93 C ATOM 358 CD GLU A 25 -11.849 -8.292 -4.433 1.00 2.76 C ATOM 359 OE1 GLU A 25 -11.038 -8.805 -3.637 1.00 3.55 O ATOM 360 OE2 GLU A 25 -11.671 -7.252 -5.101 1.00 3.98 O ATOM 0 H GLU A 25 -13.388 -8.786 -7.146 1.00 0.53 H new ATOM 0 HA GLU A 25 -11.104 -10.095 -6.172 1.00 0.60 H new ATOM 0 HB2 GLU A 25 -14.022 -10.733 -5.627 1.00 0.93 H new ATOM 0 HB3 GLU A 25 -12.655 -11.115 -4.599 1.00 0.93 H new ATOM 0 HG2 GLU A 25 -13.841 -8.393 -5.213 1.00 0.93 H new ATOM 0 HG3 GLU A 25 -13.643 -9.161 -3.651 1.00 0.93 H new ATOM 367 N LYS A 26 -12.966 -11.997 -8.111 1.00 0.88 N ATOM 368 CA LYS A 26 -12.924 -13.202 -8.914 1.00 1.05 C ATOM 369 C LYS A 26 -11.708 -13.180 -9.849 1.00 1.02 C ATOM 370 O LYS A 26 -10.988 -14.172 -9.963 1.00 1.12 O ATOM 371 CB LYS A 26 -14.244 -13.390 -9.677 1.00 1.21 C ATOM 372 CG LYS A 26 -14.393 -14.873 -10.025 1.00 1.62 C ATOM 373 CD LYS A 26 -15.349 -15.148 -11.194 1.00 1.62 C ATOM 374 CE LYS A 26 -16.769 -14.634 -10.913 1.00 2.19 C ATOM 375 NZ LYS A 26 -17.728 -15.066 -11.952 1.00 2.65 N ATOM 0 H LYS A 26 -13.793 -11.421 -8.270 1.00 0.88 H new ATOM 0 HA LYS A 26 -12.810 -14.064 -8.257 1.00 1.05 H new ATOM 0 HB2 LYS A 26 -15.085 -13.057 -9.068 1.00 1.21 H new ATOM 0 HB3 LYS A 26 -14.247 -12.785 -10.584 1.00 1.21 H new ATOM 0 HG2 LYS A 26 -13.411 -15.279 -10.269 1.00 1.62 H new ATOM 0 HG3 LYS A 26 -14.749 -15.408 -9.145 1.00 1.62 H new ATOM 0 HD2 LYS A 26 -14.964 -14.673 -12.096 1.00 1.62 H new ATOM 0 HD3 LYS A 26 -15.384 -16.220 -11.389 1.00 1.62 H new ATOM 0 HE2 LYS A 26 -17.100 -14.997 -9.940 1.00 2.19 H new ATOM 0 HE3 LYS A 26 -16.757 -13.545 -10.860 1.00 2.19 H new ATOM 0 HZ1 LYS A 26 -18.674 -14.699 -11.725 1.00 2.65 H new ATOM 0 HZ2 LYS A 26 -17.426 -14.699 -12.877 1.00 2.65 H new ATOM 0 HZ3 LYS A 26 -17.759 -16.105 -11.985 1.00 2.65 H new ATOM 389 N GLY A 27 -11.477 -12.053 -10.527 1.00 0.93 N ATOM 390 CA GLY A 27 -10.329 -11.863 -11.396 1.00 0.96 C ATOM 391 C GLY A 27 -9.020 -12.068 -10.635 1.00 0.89 C ATOM 392 O GLY A 27 -8.101 -12.710 -11.133 1.00 1.01 O ATOM 0 H GLY A 27 -12.093 -11.241 -10.483 1.00 0.93 H new ATOM 0 HA2 GLY A 27 -10.381 -12.563 -12.230 1.00 0.96 H new ATOM 0 HA3 GLY A 27 -10.353 -10.859 -11.820 1.00 0.96 H new ATOM 396 N LEU A 28 -8.928 -11.529 -9.422 1.00 0.73 N ATOM 397 CA LEU A 28 -7.751 -11.658 -8.581 1.00 0.65 C ATOM 398 C LEU A 28 -7.601 -13.107 -8.107 1.00 0.71 C ATOM 399 O LEU A 28 -6.495 -13.637 -8.138 1.00 0.75 O ATOM 400 CB LEU A 28 -7.795 -10.615 -7.448 1.00 0.52 C ATOM 401 CG LEU A 28 -7.214 -9.239 -7.854 1.00 0.57 C ATOM 402 CD1 LEU A 28 -5.690 -9.307 -7.971 1.00 1.45 C ATOM 403 CD2 LEU A 28 -7.800 -8.656 -9.138 1.00 1.58 C ATOM 0 H LEU A 28 -9.678 -10.986 -8.995 1.00 0.73 H new ATOM 0 HA LEU A 28 -6.847 -11.438 -9.149 1.00 0.65 H new ATOM 0 HB2 LEU A 28 -8.828 -10.484 -7.125 1.00 0.52 H new ATOM 0 HB3 LEU A 28 -7.240 -10.997 -6.591 1.00 0.52 H new ATOM 0 HG LEU A 28 -7.505 -8.562 -7.050 1.00 0.57 H new ATOM 0 HD11 LEU A 28 -5.303 -8.329 -8.257 1.00 1.45 H new ATOM 0 HD12 LEU A 28 -5.264 -9.599 -7.011 1.00 1.45 H new ATOM 0 HD13 LEU A 28 -5.416 -10.042 -8.728 1.00 1.45 H new ATOM 0 HD21 LEU A 28 -7.335 -7.692 -9.345 1.00 1.58 H new ATOM 0 HD22 LEU A 28 -7.608 -9.337 -9.967 1.00 1.58 H new ATOM 0 HD23 LEU A 28 -8.875 -8.522 -9.019 1.00 1.58 H new ATOM 415 N LYS A 29 -8.697 -13.796 -7.765 1.00 0.76 N ATOM 416 CA LYS A 29 -8.676 -15.228 -7.452 1.00 0.83 C ATOM 417 C LYS A 29 -8.066 -16.079 -8.579 1.00 0.94 C ATOM 418 O LYS A 29 -7.689 -17.221 -8.335 1.00 1.04 O ATOM 419 CB LYS A 29 -10.074 -15.751 -7.050 1.00 0.93 C ATOM 420 CG LYS A 29 -10.156 -16.113 -5.556 1.00 1.14 C ATOM 421 CD LYS A 29 -10.193 -14.858 -4.670 1.00 1.23 C ATOM 422 CE LYS A 29 -11.621 -14.488 -4.232 1.00 1.52 C ATOM 423 NZ LYS A 29 -12.022 -15.168 -2.981 1.00 1.93 N ATOM 0 H LYS A 29 -9.623 -13.375 -7.698 1.00 0.76 H new ATOM 0 HA LYS A 29 -8.019 -15.335 -6.589 1.00 0.83 H new ATOM 0 HB2 LYS A 29 -10.823 -14.993 -7.279 1.00 0.93 H new ATOM 0 HB3 LYS A 29 -10.316 -16.629 -7.648 1.00 0.93 H new ATOM 0 HG2 LYS A 29 -11.048 -16.713 -5.375 1.00 1.14 H new ATOM 0 HG3 LYS A 29 -9.298 -16.727 -5.282 1.00 1.14 H new ATOM 0 HD2 LYS A 29 -9.577 -15.023 -3.786 1.00 1.23 H new ATOM 0 HD3 LYS A 29 -9.754 -14.021 -5.213 1.00 1.23 H new ATOM 0 HE2 LYS A 29 -11.687 -13.409 -4.093 1.00 1.52 H new ATOM 0 HE3 LYS A 29 -12.321 -14.751 -5.025 1.00 1.52 H new ATOM 0 HZ1 LYS A 29 -12.991 -14.886 -2.728 1.00 1.93 H new ATOM 0 HZ2 LYS A 29 -11.986 -16.198 -3.119 1.00 1.93 H new ATOM 0 HZ3 LYS A 29 -11.372 -14.898 -2.215 1.00 1.93 H new ATOM 437 N ARG A 30 -7.972 -15.560 -9.808 1.00 0.96 N ATOM 438 CA ARG A 30 -7.267 -16.244 -10.883 1.00 1.09 C ATOM 439 C ARG A 30 -5.786 -16.473 -10.538 1.00 1.12 C ATOM 440 O ARG A 30 -5.180 -17.413 -11.050 1.00 1.27 O ATOM 441 CB ARG A 30 -7.403 -15.434 -12.183 1.00 1.09 C ATOM 442 CG ARG A 30 -7.440 -16.309 -13.443 1.00 1.30 C ATOM 443 CD ARG A 30 -8.870 -16.818 -13.695 1.00 2.02 C ATOM 444 NE ARG A 30 -8.969 -17.657 -14.903 1.00 2.45 N ATOM 445 CZ ARG A 30 -9.062 -17.205 -16.164 1.00 2.19 C ATOM 446 NH1 ARG A 30 -8.945 -15.896 -16.413 1.00 2.44 N ATOM 447 NH2 ARG A 30 -9.276 -18.060 -17.171 1.00 2.78 N ATOM 0 H ARG A 30 -8.379 -14.665 -10.078 1.00 0.96 H new ATOM 0 HA ARG A 30 -7.720 -17.226 -11.019 1.00 1.09 H new ATOM 0 HB2 ARG A 30 -8.314 -14.837 -12.137 1.00 1.09 H new ATOM 0 HB3 ARG A 30 -6.568 -14.737 -12.258 1.00 1.09 H new ATOM 0 HG2 ARG A 30 -7.093 -15.736 -14.303 1.00 1.30 H new ATOM 0 HG3 ARG A 30 -6.761 -17.154 -13.328 1.00 1.30 H new ATOM 0 HD2 ARG A 30 -9.205 -17.391 -12.831 1.00 2.02 H new ATOM 0 HD3 ARG A 30 -9.543 -15.966 -13.793 1.00 2.02 H new ATOM 0 HE ARG A 30 -8.967 -18.668 -14.769 1.00 2.45 H new ATOM 0 HH11 ARG A 30 -8.785 -15.243 -15.646 1.00 2.44 H new ATOM 0 HH12 ARG A 30 -9.015 -15.551 -17.370 1.00 2.44 H new ATOM 0 HH21 ARG A 30 -9.369 -19.058 -16.982 1.00 2.78 H new ATOM 0 HH22 ARG A 30 -9.346 -17.714 -18.128 1.00 2.78 H new ATOM 461 N MET A 31 -5.183 -15.593 -9.729 1.00 1.00 N ATOM 462 CA MET A 31 -3.766 -15.659 -9.384 1.00 1.02 C ATOM 463 C MET A 31 -3.515 -16.688 -8.275 1.00 1.02 C ATOM 464 O MET A 31 -4.365 -16.858 -7.404 1.00 1.02 O ATOM 465 CB MET A 31 -3.297 -14.264 -8.955 1.00 0.89 C ATOM 466 CG MET A 31 -3.188 -13.369 -10.191 1.00 1.06 C ATOM 467 SD MET A 31 -1.588 -13.521 -11.030 1.00 1.75 S ATOM 468 CE MET A 31 -2.007 -12.849 -12.651 1.00 1.81 C ATOM 0 H MET A 31 -5.673 -14.811 -9.294 1.00 1.00 H new ATOM 0 HA MET A 31 -3.197 -15.982 -10.255 1.00 1.02 H new ATOM 0 HB2 MET A 31 -4.000 -13.834 -8.241 1.00 0.89 H new ATOM 0 HB3 MET A 31 -2.332 -14.330 -8.453 1.00 0.89 H new ATOM 0 HG2 MET A 31 -3.985 -13.624 -10.890 1.00 1.06 H new ATOM 0 HG3 MET A 31 -3.342 -12.331 -9.897 1.00 1.06 H new ATOM 0 HE1 MET A 31 -1.126 -12.871 -13.293 1.00 1.81 H new ATOM 0 HE2 MET A 31 -2.798 -13.449 -13.100 1.00 1.81 H new ATOM 0 HE3 MET A 31 -2.350 -11.820 -12.541 1.00 1.81 H new ATOM 478 N PRO A 32 -2.353 -17.362 -8.278 1.00 1.10 N ATOM 479 CA PRO A 32 -2.045 -18.409 -7.316 1.00 1.14 C ATOM 480 C PRO A 32 -1.785 -17.836 -5.921 1.00 1.06 C ATOM 481 O PRO A 32 -2.283 -18.377 -4.937 1.00 1.54 O ATOM 482 CB PRO A 32 -0.818 -19.130 -7.878 1.00 1.29 C ATOM 483 CG PRO A 32 -0.113 -18.055 -8.703 1.00 1.32 C ATOM 484 CD PRO A 32 -1.276 -17.222 -9.247 1.00 1.23 C ATOM 0 HA PRO A 32 -2.882 -19.095 -7.187 1.00 1.14 H new ATOM 0 HB2 PRO A 32 -0.177 -19.509 -7.082 1.00 1.29 H new ATOM 0 HB3 PRO A 32 -1.102 -19.984 -8.492 1.00 1.29 H new ATOM 0 HG2 PRO A 32 0.562 -17.455 -8.092 1.00 1.32 H new ATOM 0 HG3 PRO A 32 0.483 -18.488 -9.506 1.00 1.32 H new ATOM 0 HD2 PRO A 32 -0.988 -16.177 -9.363 1.00 1.23 H new ATOM 0 HD3 PRO A 32 -1.586 -17.578 -10.230 1.00 1.23 H new ATOM 492 N GLY A 33 -1.017 -16.744 -5.820 1.00 0.76 N ATOM 493 CA GLY A 33 -0.627 -16.191 -4.536 1.00 0.63 C ATOM 494 C GLY A 33 -1.838 -15.672 -3.775 1.00 0.56 C ATOM 495 O GLY A 33 -1.828 -15.675 -2.546 1.00 0.60 O ATOM 0 H GLY A 33 -0.656 -16.230 -6.623 1.00 0.76 H new ATOM 0 HA2 GLY A 33 -0.122 -16.955 -3.945 1.00 0.63 H new ATOM 0 HA3 GLY A 33 0.087 -15.381 -4.687 1.00 0.63 H new ATOM 499 N VAL A 34 -2.856 -15.191 -4.503 1.00 0.52 N ATOM 500 CA VAL A 34 -4.118 -14.733 -3.943 1.00 0.49 C ATOM 501 C VAL A 34 -4.727 -15.845 -3.096 1.00 0.55 C ATOM 502 O VAL A 34 -5.325 -16.786 -3.609 1.00 0.80 O ATOM 503 CB VAL A 34 -5.041 -14.186 -5.046 1.00 0.53 C ATOM 504 CG1 VAL A 34 -6.452 -13.918 -4.509 1.00 1.38 C ATOM 505 CG2 VAL A 34 -4.461 -12.863 -5.569 1.00 1.06 C ATOM 0 H VAL A 34 -2.815 -15.111 -5.519 1.00 0.52 H new ATOM 0 HA VAL A 34 -3.957 -13.888 -3.273 1.00 0.49 H new ATOM 0 HB VAL A 34 -5.103 -14.930 -5.840 1.00 0.53 H new ATOM 0 HG11 VAL A 34 -7.080 -13.532 -5.312 1.00 1.38 H new ATOM 0 HG12 VAL A 34 -6.879 -14.846 -4.128 1.00 1.38 H new ATOM 0 HG13 VAL A 34 -6.402 -13.185 -3.704 1.00 1.38 H new ATOM 0 HG21 VAL A 34 -5.108 -12.466 -6.352 1.00 1.06 H new ATOM 0 HG22 VAL A 34 -4.398 -12.145 -4.751 1.00 1.06 H new ATOM 0 HG23 VAL A 34 -3.465 -13.038 -5.975 1.00 1.06 H new ATOM 515 N THR A 35 -4.574 -15.704 -1.779 1.00 0.43 N ATOM 516 CA THR A 35 -5.050 -16.675 -0.820 1.00 0.50 C ATOM 517 C THR A 35 -6.519 -16.390 -0.598 1.00 0.59 C ATOM 518 O THR A 35 -7.344 -17.300 -0.673 1.00 0.74 O ATOM 519 CB THR A 35 -4.266 -16.546 0.481 1.00 0.55 C ATOM 520 OG1 THR A 35 -2.906 -16.789 0.195 1.00 0.63 O ATOM 521 CG2 THR A 35 -4.723 -17.571 1.523 1.00 0.72 C ATOM 0 H THR A 35 -4.110 -14.901 -1.354 1.00 0.43 H new ATOM 0 HA THR A 35 -4.913 -17.694 -1.183 1.00 0.50 H new ATOM 0 HB THR A 35 -4.429 -15.547 0.886 1.00 0.55 H new ATOM 0 HG1 THR A 35 -2.345 -16.270 0.809 1.00 0.63 H new ATOM 0 HG21 THR A 35 -4.140 -17.447 2.436 1.00 0.72 H new ATOM 0 HG22 THR A 35 -5.780 -17.419 1.744 1.00 0.72 H new ATOM 0 HG23 THR A 35 -4.575 -18.578 1.132 1.00 0.72 H new ATOM 529 N ASP A 36 -6.847 -15.113 -0.379 1.00 0.53 N ATOM 530 CA ASP A 36 -8.215 -14.683 -0.533 1.00 0.55 C ATOM 531 C ASP A 36 -8.210 -13.234 -0.993 1.00 0.54 C ATOM 532 O ASP A 36 -7.226 -12.525 -0.815 1.00 0.95 O ATOM 533 CB ASP A 36 -9.011 -14.907 0.757 1.00 0.69 C ATOM 534 CG ASP A 36 -10.507 -14.781 0.494 1.00 0.90 C ATOM 535 OD1 ASP A 36 -10.886 -14.714 -0.698 1.00 1.68 O ATOM 536 OD2 ASP A 36 -11.286 -14.705 1.464 1.00 1.65 O ATOM 0 H ASP A 36 -6.191 -14.383 -0.101 1.00 0.53 H new ATOM 0 HA ASP A 36 -8.722 -15.280 -1.291 1.00 0.55 H new ATOM 0 HB2 ASP A 36 -8.789 -15.895 1.160 1.00 0.69 H new ATOM 0 HB3 ASP A 36 -8.706 -14.180 1.510 1.00 0.69 H new ATOM 541 N ALA A 37 -9.289 -12.806 -1.631 1.00 0.54 N ATOM 542 CA ALA A 37 -9.471 -11.457 -2.119 1.00 0.49 C ATOM 543 C ALA A 37 -10.894 -11.089 -1.738 1.00 0.49 C ATOM 544 O ALA A 37 -11.828 -11.814 -2.101 1.00 0.58 O ATOM 545 CB ALA A 37 -9.192 -11.399 -3.624 1.00 0.57 C ATOM 0 H ALA A 37 -10.085 -13.412 -1.827 1.00 0.54 H new ATOM 0 HA ALA A 37 -8.777 -10.737 -1.684 1.00 0.49 H new ATOM 0 HB1 ALA A 37 -9.332 -10.379 -3.981 1.00 0.57 H new ATOM 0 HB2 ALA A 37 -8.166 -11.713 -3.816 1.00 0.57 H new ATOM 0 HB3 ALA A 37 -9.879 -12.064 -4.147 1.00 0.57 H new ATOM 551 N ASN A 38 -11.053 -10.079 -0.882 1.00 0.50 N ATOM 552 CA ASN A 38 -12.355 -9.656 -0.403 1.00 0.51 C ATOM 553 C ASN A 38 -12.447 -8.145 -0.579 1.00 0.53 C ATOM 554 O ASN A 38 -11.445 -7.454 -0.750 1.00 0.50 O ATOM 555 CB ASN A 38 -12.557 -10.015 1.077 1.00 0.56 C ATOM 556 CG ASN A 38 -12.335 -11.471 1.482 1.00 0.80 C ATOM 557 OD1 ASN A 38 -12.035 -11.730 2.641 1.00 2.03 O ATOM 558 ND2 ASN A 38 -12.486 -12.433 0.578 1.00 1.03 N ATOM 0 H ASN A 38 -10.277 -9.535 -0.505 1.00 0.50 H new ATOM 0 HA ASN A 38 -13.131 -10.168 -0.972 1.00 0.51 H new ATOM 0 HB2 ASN A 38 -11.885 -9.394 1.669 1.00 0.56 H new ATOM 0 HB3 ASN A 38 -13.574 -9.739 1.355 1.00 0.56 H new ATOM 0 HD21 ASN A 38 -12.352 -13.408 0.844 1.00 1.03 H new ATOM 0 HD22 ASN A 38 -12.736 -12.196 -0.382 1.00 1.03 H new ATOM 565 N VAL A 39 -13.666 -7.622 -0.513 1.00 0.67 N ATOM 566 CA VAL A 39 -13.934 -6.227 -0.774 1.00 0.59 C ATOM 567 C VAL A 39 -15.161 -5.829 0.023 1.00 0.75 C ATOM 568 O VAL A 39 -16.254 -6.358 -0.178 1.00 0.94 O ATOM 569 CB VAL A 39 -14.052 -6.008 -2.287 1.00 0.60 C ATOM 570 CG1 VAL A 39 -15.162 -6.847 -2.937 1.00 0.92 C ATOM 571 CG2 VAL A 39 -14.259 -4.532 -2.619 1.00 0.53 C ATOM 0 H VAL A 39 -14.497 -8.164 -0.275 1.00 0.67 H new ATOM 0 HA VAL A 39 -13.122 -5.577 -0.449 1.00 0.59 H new ATOM 0 HB VAL A 39 -13.104 -6.345 -2.707 1.00 0.60 H new ATOM 0 HG11 VAL A 39 -15.192 -6.644 -4.008 1.00 0.92 H new ATOM 0 HG12 VAL A 39 -14.961 -7.906 -2.773 1.00 0.92 H new ATOM 0 HG13 VAL A 39 -16.122 -6.587 -2.492 1.00 0.92 H new ATOM 0 HG21 VAL A 39 -14.339 -4.410 -3.699 1.00 0.53 H new ATOM 0 HG22 VAL A 39 -15.174 -4.177 -2.145 1.00 0.53 H new ATOM 0 HG23 VAL A 39 -13.412 -3.954 -2.250 1.00 0.53 H new ATOM 581 N ASN A 40 -14.970 -4.907 0.962 1.00 0.77 N ATOM 582 CA ASN A 40 -16.072 -4.394 1.738 1.00 0.90 C ATOM 583 C ASN A 40 -16.715 -3.310 0.888 1.00 0.78 C ATOM 584 O ASN A 40 -16.347 -2.145 0.982 1.00 0.70 O ATOM 585 CB ASN A 40 -15.584 -3.870 3.088 1.00 1.01 C ATOM 586 CG ASN A 40 -16.768 -3.429 3.944 1.00 2.03 C ATOM 587 OD1 ASN A 40 -17.806 -3.021 3.425 1.00 3.78 O ATOM 588 ND2 ASN A 40 -16.641 -3.540 5.264 1.00 2.15 N ATOM 0 H ASN A 40 -14.062 -4.507 1.196 1.00 0.77 H new ATOM 0 HA ASN A 40 -16.802 -5.168 1.974 1.00 0.90 H new ATOM 0 HB2 ASN A 40 -15.022 -4.647 3.606 1.00 1.01 H new ATOM 0 HB3 ASN A 40 -14.904 -3.032 2.936 1.00 1.01 H new ATOM 0 HD21 ASN A 40 -17.417 -3.284 5.874 1.00 2.15 H new ATOM 0 HD22 ASN A 40 -15.768 -3.882 5.665 1.00 2.15 H new ATOM 595 N LEU A 41 -17.673 -3.709 0.051 1.00 0.91 N ATOM 596 CA LEU A 41 -18.418 -2.802 -0.811 1.00 0.89 C ATOM 597 C LEU A 41 -19.425 -1.949 -0.031 1.00 0.88 C ATOM 598 O LEU A 41 -20.069 -1.090 -0.623 1.00 1.15 O ATOM 599 CB LEU A 41 -19.052 -3.578 -1.977 1.00 1.03 C ATOM 600 CG LEU A 41 -20.124 -4.606 -1.578 1.00 1.34 C ATOM 601 CD1 LEU A 41 -21.543 -4.054 -1.754 1.00 1.43 C ATOM 602 CD2 LEU A 41 -19.988 -5.858 -2.452 1.00 1.76 C ATOM 0 H LEU A 41 -17.954 -4.685 -0.046 1.00 0.91 H new ATOM 0 HA LEU A 41 -17.718 -2.085 -1.241 1.00 0.89 H new ATOM 0 HB2 LEU A 41 -19.498 -2.862 -2.668 1.00 1.03 H new ATOM 0 HB3 LEU A 41 -18.261 -4.095 -2.520 1.00 1.03 H new ATOM 0 HG LEU A 41 -19.968 -4.842 -0.525 1.00 1.34 H new ATOM 0 HD11 LEU A 41 -22.268 -4.813 -1.461 1.00 1.43 H new ATOM 0 HD12 LEU A 41 -21.670 -3.170 -1.129 1.00 1.43 H new ATOM 0 HD13 LEU A 41 -21.702 -3.785 -2.798 1.00 1.43 H new ATOM 0 HD21 LEU A 41 -20.749 -6.585 -2.167 1.00 1.76 H new ATOM 0 HD22 LEU A 41 -20.119 -5.587 -3.499 1.00 1.76 H new ATOM 0 HD23 LEU A 41 -18.999 -6.294 -2.312 1.00 1.76 H new ATOM 614 N ALA A 42 -19.563 -2.156 1.286 1.00 0.96 N ATOM 615 CA ALA A 42 -20.352 -1.263 2.125 1.00 0.95 C ATOM 616 C ALA A 42 -19.512 -0.040 2.501 1.00 0.83 C ATOM 617 O ALA A 42 -20.047 1.062 2.591 1.00 0.86 O ATOM 618 CB ALA A 42 -20.878 -2.001 3.360 1.00 1.12 C ATOM 0 H ALA A 42 -19.136 -2.935 1.787 1.00 0.96 H new ATOM 0 HA ALA A 42 -21.224 -0.918 1.569 1.00 0.95 H new ATOM 0 HB1 ALA A 42 -21.464 -1.315 3.972 1.00 1.12 H new ATOM 0 HB2 ALA A 42 -21.507 -2.834 3.046 1.00 1.12 H new ATOM 0 HB3 ALA A 42 -20.038 -2.380 3.943 1.00 1.12 H new ATOM 624 N THR A 43 -18.207 -0.233 2.735 1.00 0.81 N ATOM 625 CA THR A 43 -17.288 0.837 3.129 1.00 0.79 C ATOM 626 C THR A 43 -16.332 1.259 2.000 1.00 0.73 C ATOM 627 O THR A 43 -15.616 2.247 2.145 1.00 0.86 O ATOM 628 CB THR A 43 -16.524 0.401 4.383 1.00 0.84 C ATOM 629 OG1 THR A 43 -15.728 -0.730 4.105 1.00 0.88 O ATOM 630 CG2 THR A 43 -17.505 0.044 5.506 1.00 0.99 C ATOM 0 H THR A 43 -17.758 -1.145 2.655 1.00 0.81 H new ATOM 0 HA THR A 43 -17.879 1.726 3.350 1.00 0.79 H new ATOM 0 HB THR A 43 -15.889 1.230 4.696 1.00 0.84 H new ATOM 0 HG1 THR A 43 -15.245 -0.997 4.915 1.00 0.88 H new ATOM 0 HG21 THR A 43 -16.948 -0.264 6.391 1.00 0.99 H new ATOM 0 HG22 THR A 43 -18.116 0.914 5.746 1.00 0.99 H new ATOM 0 HG23 THR A 43 -18.149 -0.773 5.180 1.00 0.99 H new ATOM 638 N GLU A 44 -16.328 0.509 0.897 1.00 0.81 N ATOM 639 CA GLU A 44 -15.533 0.697 -0.308 1.00 0.71 C ATOM 640 C GLU A 44 -14.038 0.416 -0.097 1.00 0.65 C ATOM 641 O GLU A 44 -13.202 1.147 -0.620 1.00 0.73 O ATOM 642 CB GLU A 44 -15.795 2.061 -0.969 1.00 0.71 C ATOM 643 CG GLU A 44 -17.260 2.219 -1.407 1.00 0.98 C ATOM 644 CD GLU A 44 -17.514 3.550 -2.111 1.00 1.09 C ATOM 645 OE1 GLU A 44 -16.522 4.174 -2.547 1.00 1.38 O ATOM 646 OE2 GLU A 44 -18.703 3.919 -2.207 1.00 2.25 O ATOM 0 H GLU A 44 -16.931 -0.310 0.822 1.00 0.81 H new ATOM 0 HA GLU A 44 -15.872 -0.061 -1.014 1.00 0.71 H new ATOM 0 HB2 GLU A 44 -15.538 2.857 -0.270 1.00 0.71 H new ATOM 0 HB3 GLU A 44 -15.144 2.175 -1.836 1.00 0.71 H new ATOM 0 HG2 GLU A 44 -17.527 1.400 -2.075 1.00 0.98 H new ATOM 0 HG3 GLU A 44 -17.908 2.143 -0.534 1.00 0.98 H new ATOM 653 N THR A 45 -13.681 -0.674 0.596 1.00 0.67 N ATOM 654 CA THR A 45 -12.303 -1.019 0.879 1.00 0.65 C ATOM 655 C THR A 45 -12.030 -2.414 0.311 1.00 0.55 C ATOM 656 O THR A 45 -12.554 -3.414 0.816 1.00 0.72 O ATOM 657 CB THR A 45 -12.103 -0.912 2.395 1.00 0.93 C ATOM 658 OG1 THR A 45 -12.008 0.452 2.769 1.00 1.31 O ATOM 659 CG2 THR A 45 -10.845 -1.633 2.847 1.00 0.88 C ATOM 0 H THR A 45 -14.355 -1.339 0.974 1.00 0.67 H new ATOM 0 HA THR A 45 -11.586 -0.346 0.408 1.00 0.65 H new ATOM 0 HB THR A 45 -12.962 -1.381 2.875 1.00 0.93 H new ATOM 0 HG1 THR A 45 -11.209 0.848 2.362 1.00 1.31 H new ATOM 0 HG21 THR A 45 -10.738 -1.535 3.927 1.00 0.88 H new ATOM 0 HG22 THR A 45 -10.916 -2.688 2.584 1.00 0.88 H new ATOM 0 HG23 THR A 45 -9.977 -1.194 2.355 1.00 0.88 H new ATOM 667 N VAL A 46 -11.196 -2.489 -0.731 1.00 0.39 N ATOM 668 CA VAL A 46 -10.731 -3.744 -1.288 1.00 0.34 C ATOM 669 C VAL A 46 -9.575 -4.208 -0.412 1.00 0.44 C ATOM 670 O VAL A 46 -8.684 -3.427 -0.086 1.00 0.49 O ATOM 671 CB VAL A 46 -10.371 -3.600 -2.778 1.00 0.27 C ATOM 672 CG1 VAL A 46 -9.327 -2.523 -3.098 1.00 0.41 C ATOM 673 CG2 VAL A 46 -9.852 -4.933 -3.316 1.00 0.29 C ATOM 0 H VAL A 46 -10.827 -1.667 -1.209 1.00 0.39 H new ATOM 0 HA VAL A 46 -11.512 -4.504 -1.278 1.00 0.34 H new ATOM 0 HB VAL A 46 -11.299 -3.289 -3.258 1.00 0.27 H new ATOM 0 HG11 VAL A 46 -9.144 -2.502 -4.172 1.00 0.41 H new ATOM 0 HG12 VAL A 46 -9.697 -1.550 -2.774 1.00 0.41 H new ATOM 0 HG13 VAL A 46 -8.398 -2.751 -2.576 1.00 0.41 H new ATOM 0 HG21 VAL A 46 -9.599 -4.826 -4.371 1.00 0.29 H new ATOM 0 HG22 VAL A 46 -8.964 -5.230 -2.758 1.00 0.29 H new ATOM 0 HG23 VAL A 46 -10.623 -5.696 -3.204 1.00 0.29 H new ATOM 683 N ASN A 47 -9.645 -5.455 0.045 1.00 0.48 N ATOM 684 CA ASN A 47 -8.737 -6.021 1.017 1.00 0.52 C ATOM 685 C ASN A 47 -8.308 -7.399 0.521 1.00 0.42 C ATOM 686 O ASN A 47 -9.080 -8.358 0.552 1.00 0.52 O ATOM 687 CB ASN A 47 -9.361 -6.001 2.419 1.00 0.80 C ATOM 688 CG ASN A 47 -10.737 -6.654 2.536 1.00 1.39 C ATOM 689 OD1 ASN A 47 -10.867 -7.730 3.107 1.00 2.82 O ATOM 690 ND2 ASN A 47 -11.797 -5.987 2.075 1.00 2.50 N ATOM 0 H ASN A 47 -10.360 -6.113 -0.265 1.00 0.48 H new ATOM 0 HA ASN A 47 -7.832 -5.422 1.118 1.00 0.52 H new ATOM 0 HB2 ASN A 47 -8.681 -6.502 3.108 1.00 0.80 H new ATOM 0 HB3 ASN A 47 -9.441 -4.965 2.747 1.00 0.80 H new ATOM 0 HD21 ASN A 47 -12.734 -6.372 2.196 1.00 2.50 H new ATOM 0 HD22 ASN A 47 -11.670 -5.092 1.602 1.00 2.50 H new ATOM 697 N VAL A 48 -7.084 -7.469 -0.009 1.00 0.38 N ATOM 698 CA VAL A 48 -6.573 -8.633 -0.720 1.00 0.33 C ATOM 699 C VAL A 48 -5.511 -9.299 0.147 1.00 0.38 C ATOM 700 O VAL A 48 -4.638 -8.598 0.657 1.00 0.44 O ATOM 701 CB VAL A 48 -6.006 -8.223 -2.094 1.00 0.32 C ATOM 702 CG1 VAL A 48 -5.841 -9.455 -2.995 1.00 0.34 C ATOM 703 CG2 VAL A 48 -6.920 -7.223 -2.817 1.00 0.33 C ATOM 0 H VAL A 48 -6.413 -6.703 0.048 1.00 0.38 H new ATOM 0 HA VAL A 48 -7.379 -9.342 -0.907 1.00 0.33 H new ATOM 0 HB VAL A 48 -5.041 -7.752 -1.906 1.00 0.32 H new ATOM 0 HG11 VAL A 48 -5.440 -9.148 -3.961 1.00 0.34 H new ATOM 0 HG12 VAL A 48 -5.156 -10.160 -2.525 1.00 0.34 H new ATOM 0 HG13 VAL A 48 -6.810 -9.932 -3.140 1.00 0.34 H new ATOM 0 HG21 VAL A 48 -6.483 -6.961 -3.780 1.00 0.33 H new ATOM 0 HG22 VAL A 48 -7.900 -7.673 -2.974 1.00 0.33 H new ATOM 0 HG23 VAL A 48 -7.027 -6.324 -2.211 1.00 0.33 H new ATOM 713 N ILE A 49 -5.583 -10.625 0.314 1.00 0.41 N ATOM 714 CA ILE A 49 -4.614 -11.422 1.048 1.00 0.48 C ATOM 715 C ILE A 49 -3.891 -12.338 0.069 1.00 0.43 C ATOM 716 O ILE A 49 -4.525 -13.156 -0.604 1.00 0.40 O ATOM 717 CB ILE A 49 -5.267 -12.261 2.161 1.00 0.60 C ATOM 718 CG1 ILE A 49 -6.083 -11.344 3.091 1.00 0.64 C ATOM 719 CG2 ILE A 49 -4.174 -13.042 2.928 1.00 0.75 C ATOM 720 CD1 ILE A 49 -6.805 -12.095 4.210 1.00 1.38 C ATOM 0 H ILE A 49 -6.344 -11.183 -0.073 1.00 0.41 H new ATOM 0 HA ILE A 49 -3.913 -10.741 1.531 1.00 0.48 H new ATOM 0 HB ILE A 49 -5.955 -12.989 1.730 1.00 0.60 H new ATOM 0 HG12 ILE A 49 -5.417 -10.603 3.533 1.00 0.64 H new ATOM 0 HG13 ILE A 49 -6.817 -10.799 2.498 1.00 0.64 H new ATOM 0 HG21 ILE A 49 -4.637 -13.636 3.716 1.00 0.75 H new ATOM 0 HG22 ILE A 49 -3.647 -13.701 2.239 1.00 0.75 H new ATOM 0 HG23 ILE A 49 -3.468 -12.340 3.370 1.00 0.75 H new ATOM 0 HD11 ILE A 49 -7.359 -11.386 4.825 1.00 1.38 H new ATOM 0 HD12 ILE A 49 -7.497 -12.817 3.776 1.00 1.38 H new ATOM 0 HD13 ILE A 49 -6.075 -12.618 4.827 1.00 1.38 H new ATOM 732 N TYR A 50 -2.563 -12.245 0.004 1.00 0.46 N ATOM 733 CA TYR A 50 -1.805 -13.085 -0.906 1.00 0.42 C ATOM 734 C TYR A 50 -0.403 -13.354 -0.393 1.00 0.49 C ATOM 735 O TYR A 50 0.056 -12.722 0.566 1.00 0.56 O ATOM 736 CB TYR A 50 -1.745 -12.433 -2.296 1.00 0.49 C ATOM 737 CG TYR A 50 -1.158 -11.045 -2.296 1.00 0.59 C ATOM 738 CD1 TYR A 50 0.234 -10.844 -2.312 1.00 2.26 C ATOM 739 CD2 TYR A 50 -2.022 -9.947 -2.194 1.00 1.58 C ATOM 740 CE1 TYR A 50 0.759 -9.555 -2.122 1.00 2.33 C ATOM 741 CE2 TYR A 50 -1.500 -8.659 -2.058 1.00 1.54 C ATOM 742 CZ TYR A 50 -0.113 -8.469 -1.958 1.00 0.75 C ATOM 743 OH TYR A 50 0.397 -7.229 -1.725 1.00 0.88 O ATOM 0 H TYR A 50 -2.001 -11.604 0.565 1.00 0.46 H new ATOM 0 HA TYR A 50 -2.318 -14.044 -0.976 1.00 0.42 H new ATOM 0 HB2 TYR A 50 -1.155 -13.066 -2.958 1.00 0.49 H new ATOM 0 HB3 TYR A 50 -2.752 -12.391 -2.710 1.00 0.49 H new ATOM 0 HD1 TYR A 50 0.899 -11.680 -2.470 1.00 2.26 H new ATOM 0 HD2 TYR A 50 -3.091 -10.097 -2.221 1.00 1.58 H new ATOM 0 HE1 TYR A 50 1.828 -9.401 -2.102 1.00 2.33 H new ATOM 0 HE2 TYR A 50 -2.164 -7.808 -2.030 1.00 1.54 H new ATOM 0 HH TYR A 50 -0.207 -6.552 -2.095 1.00 0.88 H new ATOM 753 N ASP A 51 0.275 -14.265 -1.097 1.00 0.54 N ATOM 754 CA ASP A 51 1.636 -14.641 -0.786 1.00 0.65 C ATOM 755 C ASP A 51 2.609 -13.644 -1.420 1.00 0.71 C ATOM 756 O ASP A 51 2.614 -13.494 -2.648 1.00 0.77 O ATOM 757 CB ASP A 51 1.915 -16.052 -1.298 1.00 0.75 C ATOM 758 CG ASP A 51 3.240 -16.490 -0.714 1.00 1.03 C ATOM 759 OD1 ASP A 51 4.263 -15.985 -1.223 1.00 2.24 O ATOM 760 OD2 ASP A 51 3.181 -17.224 0.297 1.00 1.95 O ATOM 0 H ASP A 51 -0.116 -14.758 -1.900 1.00 0.54 H new ATOM 0 HA ASP A 51 1.774 -14.627 0.295 1.00 0.65 H new ATOM 0 HB2 ASP A 51 1.119 -16.734 -0.998 1.00 0.75 H new ATOM 0 HB3 ASP A 51 1.952 -16.065 -2.387 1.00 0.75 H new ATOM 765 N PRO A 52 3.448 -12.949 -0.634 1.00 0.75 N ATOM 766 CA PRO A 52 4.310 -11.889 -1.136 1.00 0.79 C ATOM 767 C PRO A 52 5.549 -12.434 -1.865 1.00 0.83 C ATOM 768 O PRO A 52 6.608 -11.807 -1.821 1.00 0.93 O ATOM 769 CB PRO A 52 4.674 -11.082 0.117 1.00 0.86 C ATOM 770 CG PRO A 52 4.739 -12.160 1.200 1.00 0.91 C ATOM 771 CD PRO A 52 3.604 -13.105 0.804 1.00 0.82 C ATOM 0 HA PRO A 52 3.815 -11.278 -1.891 1.00 0.79 H new ATOM 0 HB2 PRO A 52 5.626 -10.564 0.003 1.00 0.86 H new ATOM 0 HB3 PRO A 52 3.924 -10.324 0.343 1.00 0.86 H new ATOM 0 HG2 PRO A 52 5.704 -12.667 1.209 1.00 0.91 H new ATOM 0 HG3 PRO A 52 4.589 -11.743 2.196 1.00 0.91 H new ATOM 0 HD2 PRO A 52 3.845 -14.136 1.062 1.00 0.82 H new ATOM 0 HD3 PRO A 52 2.682 -12.852 1.328 1.00 0.82 H new ATOM 779 N ALA A 53 5.423 -13.574 -2.548 1.00 0.81 N ATOM 780 CA ALA A 53 6.532 -14.248 -3.222 1.00 0.87 C ATOM 781 C ALA A 53 6.096 -15.096 -4.425 1.00 0.92 C ATOM 782 O ALA A 53 6.931 -15.789 -5.003 1.00 1.15 O ATOM 783 CB ALA A 53 7.326 -15.091 -2.218 1.00 0.91 C ATOM 0 H ALA A 53 4.533 -14.061 -2.649 1.00 0.81 H new ATOM 0 HA ALA A 53 7.172 -13.465 -3.628 1.00 0.87 H new ATOM 0 HB1 ALA A 53 8.149 -15.588 -2.731 1.00 0.91 H new ATOM 0 HB2 ALA A 53 7.724 -14.445 -1.435 1.00 0.91 H new ATOM 0 HB3 ALA A 53 6.671 -15.840 -1.773 1.00 0.91 H new ATOM 789 N GLU A 54 4.829 -15.000 -4.842 1.00 0.91 N ATOM 790 CA GLU A 54 4.325 -15.578 -6.076 1.00 0.93 C ATOM 791 C GLU A 54 3.832 -14.477 -7.012 1.00 0.91 C ATOM 792 O GLU A 54 4.057 -14.539 -8.218 1.00 1.01 O ATOM 793 CB GLU A 54 3.154 -16.519 -5.774 1.00 0.88 C ATOM 794 CG GLU A 54 3.585 -17.795 -5.046 1.00 0.95 C ATOM 795 CD GLU A 54 2.492 -18.849 -5.152 1.00 0.99 C ATOM 796 OE1 GLU A 54 2.248 -19.283 -6.299 1.00 2.03 O ATOM 797 OE2 GLU A 54 1.901 -19.176 -4.104 1.00 1.88 O ATOM 0 H GLU A 54 4.113 -14.504 -4.311 1.00 0.91 H new ATOM 0 HA GLU A 54 5.136 -16.131 -6.551 1.00 0.93 H new ATOM 0 HB2 GLU A 54 2.418 -15.992 -5.167 1.00 0.88 H new ATOM 0 HB3 GLU A 54 2.662 -16.789 -6.708 1.00 0.88 H new ATOM 0 HG2 GLU A 54 4.511 -18.175 -5.478 1.00 0.95 H new ATOM 0 HG3 GLU A 54 3.789 -17.575 -3.998 1.00 0.95 H new ATOM 804 N THR A 55 3.076 -13.518 -6.467 1.00 0.84 N ATOM 805 CA THR A 55 2.223 -12.634 -7.230 1.00 0.85 C ATOM 806 C THR A 55 2.793 -11.216 -7.107 1.00 0.87 C ATOM 807 O THR A 55 3.601 -10.821 -7.944 1.00 0.95 O ATOM 808 CB THR A 55 0.804 -12.861 -6.697 1.00 0.83 C ATOM 809 OG1 THR A 55 0.382 -14.173 -7.026 1.00 0.85 O ATOM 810 CG2 THR A 55 -0.207 -11.874 -7.245 1.00 0.95 C ATOM 0 H THR A 55 3.047 -13.340 -5.463 1.00 0.84 H new ATOM 0 HA THR A 55 2.183 -12.820 -8.303 1.00 0.85 H new ATOM 0 HB THR A 55 0.849 -12.716 -5.618 1.00 0.83 H new ATOM 0 HG1 THR A 55 -0.596 -14.223 -6.982 1.00 0.85 H new ATOM 0 HG21 THR A 55 -1.190 -12.091 -6.828 1.00 0.95 H new ATOM 0 HG22 THR A 55 0.088 -10.861 -6.971 1.00 0.95 H new ATOM 0 HG23 THR A 55 -0.247 -11.959 -8.331 1.00 0.95 H new ATOM 818 N GLY A 56 2.438 -10.466 -6.055 1.00 0.84 N ATOM 819 CA GLY A 56 3.097 -9.213 -5.728 1.00 0.87 C ATOM 820 C GLY A 56 2.117 -8.053 -5.827 1.00 0.81 C ATOM 821 O GLY A 56 1.448 -7.900 -6.843 1.00 0.81 O ATOM 0 H GLY A 56 1.686 -10.718 -5.413 1.00 0.84 H new ATOM 0 HA2 GLY A 56 3.508 -9.264 -4.720 1.00 0.87 H new ATOM 0 HA3 GLY A 56 3.934 -9.048 -6.406 1.00 0.87 H new ATOM 825 N THR A 57 2.058 -7.237 -4.770 1.00 0.79 N ATOM 826 CA THR A 57 1.265 -6.005 -4.659 1.00 0.76 C ATOM 827 C THR A 57 1.073 -5.280 -6.002 1.00 0.85 C ATOM 828 O THR A 57 -0.048 -4.950 -6.395 1.00 0.81 O ATOM 829 CB THR A 57 1.856 -5.083 -3.576 1.00 0.90 C ATOM 830 OG1 THR A 57 0.995 -3.993 -3.325 1.00 1.03 O ATOM 831 CG2 THR A 57 3.249 -4.570 -3.928 1.00 1.15 C ATOM 0 H THR A 57 2.591 -7.427 -3.921 1.00 0.79 H new ATOM 0 HA THR A 57 0.261 -6.296 -4.350 1.00 0.76 H new ATOM 0 HB THR A 57 1.952 -5.690 -2.676 1.00 0.90 H new ATOM 0 HG1 THR A 57 1.386 -3.419 -2.633 1.00 1.03 H new ATOM 0 HG21 THR A 57 3.613 -3.926 -3.127 1.00 1.15 H new ATOM 0 HG22 THR A 57 3.927 -5.414 -4.051 1.00 1.15 H new ATOM 0 HG23 THR A 57 3.204 -4.003 -4.858 1.00 1.15 H new ATOM 839 N ALA A 58 2.168 -5.074 -6.737 1.00 0.97 N ATOM 840 CA ALA A 58 2.149 -4.349 -7.996 1.00 1.02 C ATOM 841 C ALA A 58 1.227 -5.033 -9.009 1.00 0.94 C ATOM 842 O ALA A 58 0.468 -4.374 -9.710 1.00 0.91 O ATOM 843 CB ALA A 58 3.572 -4.222 -8.542 1.00 1.19 C ATOM 0 H ALA A 58 3.093 -5.409 -6.469 1.00 0.97 H new ATOM 0 HA ALA A 58 1.753 -3.349 -7.820 1.00 1.02 H new ATOM 0 HB1 ALA A 58 3.552 -3.678 -9.486 1.00 1.19 H new ATOM 0 HB2 ALA A 58 4.190 -3.682 -7.825 1.00 1.19 H new ATOM 0 HB3 ALA A 58 3.989 -5.216 -8.705 1.00 1.19 H new ATOM 849 N ALA A 59 1.256 -6.364 -9.074 1.00 0.93 N ATOM 850 CA ALA A 59 0.367 -7.106 -9.952 1.00 0.91 C ATOM 851 C ALA A 59 -1.084 -6.974 -9.493 1.00 0.74 C ATOM 852 O ALA A 59 -2.002 -6.937 -10.311 1.00 0.75 O ATOM 853 CB ALA A 59 0.770 -8.571 -9.974 1.00 0.97 C ATOM 0 H ALA A 59 1.889 -6.947 -8.526 1.00 0.93 H new ATOM 0 HA ALA A 59 0.449 -6.692 -10.957 1.00 0.91 H new ATOM 0 HB1 ALA A 59 0.100 -9.123 -10.634 1.00 0.97 H new ATOM 0 HB2 ALA A 59 1.793 -8.661 -10.338 1.00 0.97 H new ATOM 0 HB3 ALA A 59 0.706 -8.981 -8.966 1.00 0.97 H new ATOM 859 N ILE A 60 -1.302 -6.914 -8.178 1.00 0.63 N ATOM 860 CA ILE A 60 -2.640 -6.749 -7.629 1.00 0.51 C ATOM 861 C ILE A 60 -3.205 -5.418 -8.126 1.00 0.48 C ATOM 862 O ILE A 60 -4.270 -5.375 -8.748 1.00 0.45 O ATOM 863 CB ILE A 60 -2.626 -6.821 -6.090 1.00 0.51 C ATOM 864 CG1 ILE A 60 -1.768 -7.960 -5.525 1.00 0.65 C ATOM 865 CG2 ILE A 60 -4.041 -6.929 -5.518 1.00 0.45 C ATOM 866 CD1 ILE A 60 -2.150 -9.368 -5.976 1.00 0.91 C ATOM 0 H ILE A 60 -0.565 -6.978 -7.476 1.00 0.63 H new ATOM 0 HA ILE A 60 -3.280 -7.563 -7.969 1.00 0.51 H new ATOM 0 HB ILE A 60 -2.168 -5.883 -5.776 1.00 0.51 H new ATOM 0 HG12 ILE A 60 -0.730 -7.779 -5.803 1.00 0.65 H new ATOM 0 HG13 ILE A 60 -1.818 -7.922 -4.437 1.00 0.65 H new ATOM 0 HG21 ILE A 60 -3.991 -6.978 -4.430 1.00 0.45 H new ATOM 0 HG22 ILE A 60 -4.621 -6.056 -5.816 1.00 0.45 H new ATOM 0 HG23 ILE A 60 -4.520 -7.831 -5.900 1.00 0.45 H new ATOM 0 HD11 ILE A 60 -1.478 -10.092 -5.516 1.00 0.91 H new ATOM 0 HD12 ILE A 60 -3.175 -9.581 -5.674 1.00 0.91 H new ATOM 0 HD13 ILE A 60 -2.070 -9.437 -7.061 1.00 0.91 H new ATOM 878 N GLN A 61 -2.463 -4.329 -7.891 1.00 0.55 N ATOM 879 CA GLN A 61 -2.899 -3.015 -8.345 1.00 0.59 C ATOM 880 C GLN A 61 -3.013 -2.997 -9.873 1.00 0.62 C ATOM 881 O GLN A 61 -3.980 -2.455 -10.411 1.00 0.59 O ATOM 882 CB GLN A 61 -2.057 -1.879 -7.734 1.00 0.74 C ATOM 883 CG GLN A 61 -0.781 -1.499 -8.494 1.00 0.94 C ATOM 884 CD GLN A 61 0.005 -0.406 -7.781 1.00 1.13 C ATOM 885 OE1 GLN A 61 1.120 -0.622 -7.313 1.00 2.07 O ATOM 886 NE2 GLN A 61 -0.573 0.784 -7.689 1.00 1.11 N ATOM 0 H GLN A 61 -1.571 -4.336 -7.396 1.00 0.55 H new ATOM 0 HA GLN A 61 -3.903 -2.816 -7.969 1.00 0.59 H new ATOM 0 HB2 GLN A 61 -2.685 -0.992 -7.654 1.00 0.74 H new ATOM 0 HB3 GLN A 61 -1.779 -2.166 -6.720 1.00 0.74 H new ATOM 0 HG2 GLN A 61 -0.152 -2.381 -8.609 1.00 0.94 H new ATOM 0 HG3 GLN A 61 -1.043 -1.161 -9.497 1.00 0.94 H new ATOM 0 HE21 GLN A 61 -1.500 0.933 -8.088 1.00 1.11 H new ATOM 0 HE22 GLN A 61 -0.091 1.550 -7.220 1.00 1.11 H new ATOM 895 N GLU A 62 -2.076 -3.654 -10.573 1.00 0.70 N ATOM 896 CA GLU A 62 -2.138 -3.768 -12.021 1.00 0.78 C ATOM 897 C GLU A 62 -3.468 -4.404 -12.421 1.00 0.70 C ATOM 898 O GLU A 62 -4.125 -3.926 -13.339 1.00 0.70 O ATOM 899 CB GLU A 62 -0.929 -4.568 -12.526 1.00 0.89 C ATOM 900 CG GLU A 62 -0.885 -4.810 -14.039 1.00 1.12 C ATOM 901 CD GLU A 62 -0.744 -3.521 -14.834 1.00 2.09 C ATOM 902 OE1 GLU A 62 0.352 -2.931 -14.763 1.00 2.70 O ATOM 903 OE2 GLU A 62 -1.719 -3.190 -15.540 1.00 3.92 O ATOM 0 H GLU A 62 -1.269 -4.112 -10.150 1.00 0.70 H new ATOM 0 HA GLU A 62 -2.092 -2.783 -12.486 1.00 0.78 H new ATOM 0 HB2 GLU A 62 -0.020 -4.043 -12.233 1.00 0.89 H new ATOM 0 HB3 GLU A 62 -0.917 -5.534 -12.020 1.00 0.89 H new ATOM 0 HG2 GLU A 62 -0.050 -5.470 -14.273 1.00 1.12 H new ATOM 0 HG3 GLU A 62 -1.795 -5.325 -14.347 1.00 1.12 H new ATOM 910 N LYS A 63 -3.909 -5.468 -11.741 1.00 0.66 N ATOM 911 CA LYS A 63 -5.135 -6.135 -12.111 1.00 0.64 C ATOM 912 C LYS A 63 -6.322 -5.195 -11.934 1.00 0.53 C ATOM 913 O LYS A 63 -7.142 -5.085 -12.843 1.00 0.55 O ATOM 914 CB LYS A 63 -5.291 -7.433 -11.316 1.00 0.69 C ATOM 915 CG LYS A 63 -4.852 -8.676 -12.102 1.00 0.85 C ATOM 916 CD LYS A 63 -5.931 -9.125 -13.105 1.00 1.70 C ATOM 917 CE LYS A 63 -5.583 -8.812 -14.570 1.00 2.10 C ATOM 918 NZ LYS A 63 -6.726 -9.074 -15.469 1.00 3.83 N ATOM 0 H LYS A 63 -3.429 -5.874 -10.938 1.00 0.66 H new ATOM 0 HA LYS A 63 -5.098 -6.407 -13.166 1.00 0.64 H new ATOM 0 HB2 LYS A 63 -4.705 -7.364 -10.400 1.00 0.69 H new ATOM 0 HB3 LYS A 63 -6.334 -7.547 -11.019 1.00 0.69 H new ATOM 0 HG2 LYS A 63 -3.926 -8.461 -12.635 1.00 0.85 H new ATOM 0 HG3 LYS A 63 -4.639 -9.489 -11.408 1.00 0.85 H new ATOM 0 HD2 LYS A 63 -6.088 -10.198 -13.000 1.00 1.70 H new ATOM 0 HD3 LYS A 63 -6.873 -8.639 -12.853 1.00 1.70 H new ATOM 0 HE2 LYS A 63 -5.282 -7.768 -14.658 1.00 2.10 H new ATOM 0 HE3 LYS A 63 -4.730 -9.417 -14.879 1.00 2.10 H new ATOM 0 HZ1 LYS A 63 -6.455 -8.852 -16.448 1.00 3.83 H new ATOM 0 HZ2 LYS A 63 -6.997 -10.076 -15.403 1.00 3.83 H new ATOM 0 HZ3 LYS A 63 -7.531 -8.479 -15.189 1.00 3.83 H new ATOM 932 N ILE A 64 -6.401 -4.513 -10.789 1.00 0.46 N ATOM 933 CA ILE A 64 -7.438 -3.517 -10.552 1.00 0.40 C ATOM 934 C ILE A 64 -7.477 -2.524 -11.720 1.00 0.43 C ATOM 935 O ILE A 64 -8.542 -2.283 -12.294 1.00 0.44 O ATOM 936 CB ILE A 64 -7.214 -2.841 -9.184 1.00 0.35 C ATOM 937 CG1 ILE A 64 -7.452 -3.868 -8.061 1.00 0.38 C ATOM 938 CG2 ILE A 64 -8.157 -1.644 -9.011 1.00 0.40 C ATOM 939 CD1 ILE A 64 -7.021 -3.372 -6.677 1.00 0.50 C ATOM 0 H ILE A 64 -5.754 -4.636 -10.010 1.00 0.46 H new ATOM 0 HA ILE A 64 -8.418 -3.991 -10.508 1.00 0.40 H new ATOM 0 HB ILE A 64 -6.188 -2.477 -9.133 1.00 0.35 H new ATOM 0 HG12 ILE A 64 -8.511 -4.124 -8.033 1.00 0.38 H new ATOM 0 HG13 ILE A 64 -6.909 -4.783 -8.296 1.00 0.38 H new ATOM 0 HG21 ILE A 64 -7.983 -1.181 -8.040 1.00 0.40 H new ATOM 0 HG22 ILE A 64 -7.968 -0.915 -9.799 1.00 0.40 H new ATOM 0 HG23 ILE A 64 -9.191 -1.984 -9.071 1.00 0.40 H new ATOM 0 HD11 ILE A 64 -7.218 -4.146 -5.935 1.00 0.50 H new ATOM 0 HD12 ILE A 64 -5.955 -3.143 -6.688 1.00 0.50 H new ATOM 0 HD13 ILE A 64 -7.583 -2.474 -6.421 1.00 0.50 H new ATOM 951 N GLU A 65 -6.322 -1.977 -12.106 1.00 0.47 N ATOM 952 CA GLU A 65 -6.294 -1.014 -13.198 1.00 0.52 C ATOM 953 C GLU A 65 -6.710 -1.644 -14.529 1.00 0.57 C ATOM 954 O GLU A 65 -7.563 -1.100 -15.226 1.00 0.59 O ATOM 955 CB GLU A 65 -4.944 -0.294 -13.255 1.00 0.58 C ATOM 956 CG GLU A 65 -4.799 0.581 -11.995 1.00 0.62 C ATOM 957 CD GLU A 65 -4.046 1.872 -12.267 1.00 1.21 C ATOM 958 OE1 GLU A 65 -4.676 2.755 -12.891 1.00 2.58 O ATOM 959 OE2 GLU A 65 -2.885 1.965 -11.818 1.00 1.39 O ATOM 0 H GLU A 65 -5.415 -2.181 -11.687 1.00 0.47 H new ATOM 0 HA GLU A 65 -7.044 -0.249 -12.998 1.00 0.52 H new ATOM 0 HB2 GLU A 65 -4.131 -1.018 -13.308 1.00 0.58 H new ATOM 0 HB3 GLU A 65 -4.881 0.322 -14.152 1.00 0.58 H new ATOM 0 HG2 GLU A 65 -5.789 0.817 -11.604 1.00 0.62 H new ATOM 0 HG3 GLU A 65 -4.278 0.016 -11.222 1.00 0.62 H new ATOM 966 N LYS A 66 -6.168 -2.813 -14.870 1.00 0.62 N ATOM 967 CA LYS A 66 -6.546 -3.540 -16.074 1.00 0.69 C ATOM 968 C LYS A 66 -8.049 -3.821 -16.119 1.00 0.67 C ATOM 969 O LYS A 66 -8.642 -3.824 -17.195 1.00 0.73 O ATOM 970 CB LYS A 66 -5.769 -4.847 -16.196 1.00 0.83 C ATOM 971 CG LYS A 66 -4.276 -4.574 -16.414 1.00 0.99 C ATOM 972 CD LYS A 66 -3.741 -5.287 -17.660 1.00 1.81 C ATOM 973 CE LYS A 66 -2.205 -5.336 -17.627 1.00 1.79 C ATOM 974 NZ LYS A 66 -1.628 -6.044 -18.786 1.00 3.13 N ATOM 0 H LYS A 66 -5.452 -3.281 -14.314 1.00 0.62 H new ATOM 0 HA LYS A 66 -6.294 -2.901 -16.920 1.00 0.69 H new ATOM 0 HB2 LYS A 66 -5.906 -5.443 -15.294 1.00 0.83 H new ATOM 0 HB3 LYS A 66 -6.162 -5.433 -17.027 1.00 0.83 H new ATOM 0 HG2 LYS A 66 -4.114 -3.501 -16.512 1.00 0.99 H new ATOM 0 HG3 LYS A 66 -3.715 -4.902 -15.539 1.00 0.99 H new ATOM 0 HD2 LYS A 66 -4.143 -6.299 -17.709 1.00 1.81 H new ATOM 0 HD3 LYS A 66 -4.076 -4.767 -18.557 1.00 1.81 H new ATOM 0 HE2 LYS A 66 -1.815 -4.319 -17.598 1.00 1.79 H new ATOM 0 HE3 LYS A 66 -1.882 -5.828 -16.710 1.00 1.79 H new ATOM 0 HZ1 LYS A 66 -0.591 -6.046 -18.711 1.00 3.13 H new ATOM 0 HZ2 LYS A 66 -1.976 -7.024 -18.802 1.00 3.13 H new ATOM 0 HZ3 LYS A 66 -1.910 -5.562 -19.663 1.00 3.13 H new ATOM 988 N LEU A 67 -8.670 -4.083 -14.964 1.00 0.62 N ATOM 989 CA LEU A 67 -10.106 -4.294 -14.880 1.00 0.63 C ATOM 990 C LEU A 67 -10.905 -3.014 -15.178 1.00 0.63 C ATOM 991 O LEU A 67 -12.115 -3.097 -15.374 1.00 0.70 O ATOM 992 CB LEU A 67 -10.453 -4.932 -13.525 1.00 0.60 C ATOM 993 CG LEU A 67 -10.611 -6.461 -13.619 1.00 0.77 C ATOM 994 CD1 LEU A 67 -9.765 -7.141 -12.549 1.00 1.33 C ATOM 995 CD2 LEU A 67 -12.086 -6.850 -13.465 1.00 2.35 C ATOM 0 H LEU A 67 -8.187 -4.153 -14.068 1.00 0.62 H new ATOM 0 HA LEU A 67 -10.407 -4.992 -15.661 1.00 0.63 H new ATOM 0 HB2 LEU A 67 -9.671 -4.694 -12.804 1.00 0.60 H new ATOM 0 HB3 LEU A 67 -11.378 -4.496 -13.148 1.00 0.60 H new ATOM 0 HG LEU A 67 -10.266 -6.793 -14.598 1.00 0.77 H new ATOM 0 HD11 LEU A 67 -9.884 -8.222 -12.624 1.00 1.33 H new ATOM 0 HD12 LEU A 67 -8.717 -6.880 -12.694 1.00 1.33 H new ATOM 0 HD13 LEU A 67 -10.089 -6.808 -11.563 1.00 1.33 H new ATOM 0 HD21 LEU A 67 -12.186 -7.933 -13.533 1.00 2.35 H new ATOM 0 HD22 LEU A 67 -12.452 -6.512 -12.495 1.00 2.35 H new ATOM 0 HD23 LEU A 67 -12.670 -6.381 -14.257 1.00 2.35 H new ATOM 1007 N GLY A 68 -10.251 -1.848 -15.231 1.00 0.58 N ATOM 1008 CA GLY A 68 -10.870 -0.577 -15.580 1.00 0.59 C ATOM 1009 C GLY A 68 -11.360 0.160 -14.337 1.00 0.53 C ATOM 1010 O GLY A 68 -12.449 0.729 -14.341 1.00 0.61 O ATOM 0 H GLY A 68 -9.255 -1.767 -15.027 1.00 0.58 H new ATOM 0 HA2 GLY A 68 -10.152 0.045 -16.115 1.00 0.59 H new ATOM 0 HA3 GLY A 68 -11.707 -0.751 -16.256 1.00 0.59 H new ATOM 1014 N TYR A 69 -10.549 0.145 -13.276 1.00 0.44 N ATOM 1015 CA TYR A 69 -10.815 0.823 -12.009 1.00 0.40 C ATOM 1016 C TYR A 69 -9.624 1.712 -11.664 1.00 0.37 C ATOM 1017 O TYR A 69 -8.633 1.726 -12.394 1.00 0.43 O ATOM 1018 CB TYR A 69 -11.065 -0.216 -10.911 1.00 0.39 C ATOM 1019 CG TYR A 69 -12.287 -1.073 -11.151 1.00 0.49 C ATOM 1020 CD1 TYR A 69 -12.225 -2.118 -12.086 1.00 1.69 C ATOM 1021 CD2 TYR A 69 -13.484 -0.832 -10.456 1.00 1.98 C ATOM 1022 CE1 TYR A 69 -13.369 -2.878 -12.374 1.00 1.69 C ATOM 1023 CE2 TYR A 69 -14.609 -1.635 -10.698 1.00 2.12 C ATOM 1024 CZ TYR A 69 -14.550 -2.655 -11.660 1.00 0.95 C ATOM 1025 OH TYR A 69 -15.613 -3.477 -11.870 1.00 1.27 O ATOM 0 H TYR A 69 -9.661 -0.356 -13.277 1.00 0.44 H new ATOM 0 HA TYR A 69 -11.705 1.446 -12.093 1.00 0.40 H new ATOM 0 HB2 TYR A 69 -10.190 -0.861 -10.828 1.00 0.39 H new ATOM 0 HB3 TYR A 69 -11.174 0.297 -9.956 1.00 0.39 H new ATOM 0 HD1 TYR A 69 -11.293 -2.338 -12.586 1.00 1.69 H new ATOM 0 HD2 TYR A 69 -13.538 -0.029 -9.736 1.00 1.98 H new ATOM 0 HE1 TYR A 69 -13.337 -3.633 -13.145 1.00 1.69 H new ATOM 0 HE2 TYR A 69 -15.521 -1.468 -10.144 1.00 2.12 H new ATOM 0 HH TYR A 69 -16.433 -2.944 -11.925 1.00 1.27 H new ATOM 1035 N HIS A 70 -9.712 2.462 -10.561 1.00 0.34 N ATOM 1036 CA HIS A 70 -8.610 3.298 -10.110 1.00 0.35 C ATOM 1037 C HIS A 70 -8.554 3.296 -8.586 1.00 0.39 C ATOM 1038 O HIS A 70 -9.592 3.354 -7.926 1.00 0.54 O ATOM 1039 CB HIS A 70 -8.756 4.716 -10.681 1.00 0.46 C ATOM 1040 CG HIS A 70 -7.460 5.290 -11.203 1.00 0.85 C ATOM 1041 ND1 HIS A 70 -6.600 4.699 -12.109 1.00 1.78 N ATOM 1042 CD2 HIS A 70 -6.956 6.529 -10.907 1.00 2.04 C ATOM 1043 CE1 HIS A 70 -5.611 5.575 -12.353 1.00 1.89 C ATOM 1044 NE2 HIS A 70 -5.784 6.705 -11.647 1.00 2.17 N ATOM 0 H HIS A 70 -10.540 2.503 -9.967 1.00 0.34 H new ATOM 0 HA HIS A 70 -7.666 2.896 -10.477 1.00 0.35 H new ATOM 0 HB2 HIS A 70 -9.489 4.701 -11.488 1.00 0.46 H new ATOM 0 HB3 HIS A 70 -9.149 5.373 -9.905 1.00 0.46 H new ATOM 0 HD1 HIS A 70 -6.698 3.769 -12.517 1.00 1.78 H new ATOM 0 HD2 HIS A 70 -7.388 7.244 -10.222 1.00 2.04 H new ATOM 0 HE1 HIS A 70 -4.787 5.395 -13.027 1.00 1.89 H new ATOM 1052 N VAL A 71 -7.347 3.197 -8.033 1.00 0.41 N ATOM 1053 CA VAL A 71 -7.096 3.141 -6.601 1.00 0.45 C ATOM 1054 C VAL A 71 -6.915 4.562 -6.067 1.00 0.54 C ATOM 1055 O VAL A 71 -6.295 5.399 -6.724 1.00 0.59 O ATOM 1056 CB VAL A 71 -5.899 2.214 -6.325 1.00 0.45 C ATOM 1057 CG1 VAL A 71 -6.254 0.770 -6.702 1.00 0.47 C ATOM 1058 CG2 VAL A 71 -4.615 2.622 -7.065 1.00 0.50 C ATOM 0 H VAL A 71 -6.493 3.152 -8.589 1.00 0.41 H new ATOM 0 HA VAL A 71 -7.944 2.712 -6.067 1.00 0.45 H new ATOM 0 HB VAL A 71 -5.694 2.301 -5.258 1.00 0.45 H new ATOM 0 HG11 VAL A 71 -5.401 0.122 -6.503 1.00 0.47 H new ATOM 0 HG12 VAL A 71 -7.107 0.439 -6.110 1.00 0.47 H new ATOM 0 HG13 VAL A 71 -6.507 0.722 -7.761 1.00 0.47 H new ATOM 0 HG21 VAL A 71 -3.816 1.922 -6.821 1.00 0.50 H new ATOM 0 HG22 VAL A 71 -4.794 2.607 -8.140 1.00 0.50 H new ATOM 0 HG23 VAL A 71 -4.323 3.627 -6.760 1.00 0.50 H new ATOM 1068 N VAL A 72 -7.472 4.861 -4.889 1.00 0.60 N ATOM 1069 CA VAL A 72 -7.467 6.216 -4.346 1.00 0.70 C ATOM 1070 C VAL A 72 -6.126 6.430 -3.641 1.00 0.83 C ATOM 1071 O VAL A 72 -6.068 6.652 -2.436 1.00 1.10 O ATOM 1072 CB VAL A 72 -8.681 6.397 -3.413 1.00 0.79 C ATOM 1073 CG1 VAL A 72 -8.823 7.839 -2.900 1.00 0.92 C ATOM 1074 CG2 VAL A 72 -9.988 6.046 -4.135 1.00 0.72 C ATOM 0 H VAL A 72 -7.934 4.175 -4.292 1.00 0.60 H new ATOM 0 HA VAL A 72 -7.563 6.971 -5.127 1.00 0.70 H new ATOM 0 HB VAL A 72 -8.503 5.726 -2.572 1.00 0.79 H new ATOM 0 HG11 VAL A 72 -9.694 7.909 -2.248 1.00 0.92 H new ATOM 0 HG12 VAL A 72 -7.929 8.116 -2.342 1.00 0.92 H new ATOM 0 HG13 VAL A 72 -8.948 8.515 -3.746 1.00 0.92 H new ATOM 0 HG21 VAL A 72 -10.828 6.182 -3.454 1.00 0.72 H new ATOM 0 HG22 VAL A 72 -10.112 6.698 -5.000 1.00 0.72 H new ATOM 0 HG23 VAL A 72 -9.954 5.008 -4.465 1.00 0.72 H new ATOM 1084 N THR A 73 -5.031 6.296 -4.385 1.00 0.77 N ATOM 1085 CA THR A 73 -3.694 6.151 -3.832 1.00 0.81 C ATOM 1086 C THR A 73 -2.794 7.249 -4.386 1.00 0.87 C ATOM 1087 O THR A 73 -2.863 7.536 -5.580 1.00 0.93 O ATOM 1088 CB THR A 73 -3.181 4.746 -4.171 1.00 0.82 C ATOM 1089 OG1 THR A 73 -4.239 3.818 -4.043 1.00 0.74 O ATOM 1090 CG2 THR A 73 -2.097 4.316 -3.193 1.00 1.05 C ATOM 0 H THR A 73 -5.052 6.285 -5.405 1.00 0.77 H new ATOM 0 HA THR A 73 -3.700 6.259 -2.747 1.00 0.81 H new ATOM 0 HB THR A 73 -2.786 4.771 -5.187 1.00 0.82 H new ATOM 0 HG1 THR A 73 -4.765 4.030 -3.243 1.00 0.74 H new ATOM 0 HG21 THR A 73 -1.748 3.317 -3.453 1.00 1.05 H new ATOM 0 HG22 THR A 73 -1.263 5.016 -3.243 1.00 1.05 H new ATOM 0 HG23 THR A 73 -2.502 4.307 -2.181 1.00 1.05 H new ATOM 1098 N GLU A 74 -1.974 7.871 -3.532 1.00 0.90 N ATOM 1099 CA GLU A 74 -1.158 9.013 -3.909 1.00 0.97 C ATOM 1100 C GLU A 74 0.270 8.860 -3.387 1.00 0.80 C ATOM 1101 O GLU A 74 0.500 8.310 -2.308 1.00 0.71 O ATOM 1102 CB GLU A 74 -1.823 10.318 -3.452 1.00 1.13 C ATOM 1103 CG GLU A 74 -1.996 10.411 -1.932 1.00 2.08 C ATOM 1104 CD GLU A 74 -2.808 11.636 -1.535 1.00 2.82 C ATOM 1105 OE1 GLU A 74 -3.949 11.743 -2.036 1.00 3.11 O ATOM 1106 OE2 GLU A 74 -2.291 12.421 -0.713 1.00 4.30 O ATOM 0 H GLU A 74 -1.863 7.590 -2.558 1.00 0.90 H new ATOM 0 HA GLU A 74 -1.085 9.056 -4.996 1.00 0.97 H new ATOM 0 HB2 GLU A 74 -1.224 11.162 -3.795 1.00 1.13 H new ATOM 0 HB3 GLU A 74 -2.800 10.406 -3.928 1.00 1.13 H new ATOM 0 HG2 GLU A 74 -2.491 9.511 -1.566 1.00 2.08 H new ATOM 0 HG3 GLU A 74 -1.017 10.453 -1.455 1.00 2.08 H new ATOM 1113 N LYS A 75 1.208 9.342 -4.207 1.00 0.83 N ATOM 1114 CA LYS A 75 2.643 9.387 -3.971 1.00 0.81 C ATOM 1115 C LYS A 75 3.012 10.631 -3.166 1.00 0.71 C ATOM 1116 O LYS A 75 3.396 11.657 -3.723 1.00 0.81 O ATOM 1117 CB LYS A 75 3.400 9.231 -5.297 1.00 0.97 C ATOM 1118 CG LYS A 75 3.166 10.323 -6.342 1.00 1.03 C ATOM 1119 CD LYS A 75 3.650 9.808 -7.703 1.00 1.22 C ATOM 1120 CE LYS A 75 3.266 10.783 -8.821 1.00 1.99 C ATOM 1121 NZ LYS A 75 3.627 10.248 -10.149 1.00 2.84 N ATOM 0 H LYS A 75 0.961 9.737 -5.115 1.00 0.83 H new ATOM 0 HA LYS A 75 2.954 8.544 -3.354 1.00 0.81 H new ATOM 0 HB2 LYS A 75 4.467 9.189 -5.079 1.00 0.97 H new ATOM 0 HB3 LYS A 75 3.126 8.272 -5.737 1.00 0.97 H new ATOM 0 HG2 LYS A 75 2.108 10.581 -6.389 1.00 1.03 H new ATOM 0 HG3 LYS A 75 3.704 11.231 -6.068 1.00 1.03 H new ATOM 0 HD2 LYS A 75 4.732 9.677 -7.684 1.00 1.22 H new ATOM 0 HD3 LYS A 75 3.214 8.829 -7.902 1.00 1.22 H new ATOM 0 HE2 LYS A 75 2.194 10.977 -8.784 1.00 1.99 H new ATOM 0 HE3 LYS A 75 3.769 11.737 -8.662 1.00 1.99 H new ATOM 0 HZ1 LYS A 75 3.354 10.931 -10.884 1.00 2.84 H new ATOM 0 HZ2 LYS A 75 4.653 10.086 -10.191 1.00 2.84 H new ATOM 0 HZ3 LYS A 75 3.128 9.350 -10.309 1.00 2.84 H new ATOM 1135 N ALA A 76 2.889 10.541 -1.843 1.00 0.59 N ATOM 1136 CA ALA A 76 3.256 11.651 -0.960 1.00 0.55 C ATOM 1137 C ALA A 76 4.747 11.553 -0.619 1.00 0.55 C ATOM 1138 O ALA A 76 5.234 10.442 -0.442 1.00 0.66 O ATOM 1139 CB ALA A 76 2.389 11.609 0.302 1.00 0.52 C ATOM 0 H ALA A 76 2.539 9.714 -1.358 1.00 0.59 H new ATOM 0 HA ALA A 76 3.080 12.604 -1.458 1.00 0.55 H new ATOM 0 HB1 ALA A 76 2.662 12.435 0.959 1.00 0.52 H new ATOM 0 HB2 ALA A 76 1.339 11.698 0.025 1.00 0.52 H new ATOM 0 HB3 ALA A 76 2.548 10.664 0.822 1.00 0.52 H new ATOM 1145 N GLU A 77 5.484 12.668 -0.505 1.00 0.58 N ATOM 1146 CA GLU A 77 6.870 12.625 -0.030 1.00 0.60 C ATOM 1147 C GLU A 77 6.967 12.946 1.461 1.00 0.53 C ATOM 1148 O GLU A 77 6.515 13.999 1.918 1.00 0.63 O ATOM 1149 CB GLU A 77 7.817 13.555 -0.791 1.00 0.93 C ATOM 1150 CG GLU A 77 8.401 13.010 -2.104 1.00 1.35 C ATOM 1151 CD GLU A 77 9.764 13.646 -2.384 1.00 2.08 C ATOM 1152 OE1 GLU A 77 10.785 13.222 -1.786 1.00 2.89 O ATOM 1153 OE2 GLU A 77 9.790 14.682 -3.083 1.00 2.66 O ATOM 0 H GLU A 77 5.145 13.602 -0.734 1.00 0.58 H new ATOM 0 HA GLU A 77 7.189 11.599 -0.217 1.00 0.60 H new ATOM 0 HB2 GLU A 77 7.283 14.479 -1.012 1.00 0.93 H new ATOM 0 HB3 GLU A 77 8.645 13.815 -0.131 1.00 0.93 H new ATOM 0 HG2 GLU A 77 8.504 11.927 -2.042 1.00 1.35 H new ATOM 0 HG3 GLU A 77 7.719 13.219 -2.928 1.00 1.35 H new ATOM 1160 N PHE A 78 7.642 12.057 2.188 1.00 0.50 N ATOM 1161 CA PHE A 78 8.015 12.219 3.577 1.00 0.53 C ATOM 1162 C PHE A 78 9.536 12.338 3.663 1.00 0.54 C ATOM 1163 O PHE A 78 10.256 11.721 2.882 1.00 0.58 O ATOM 1164 CB PHE A 78 7.471 11.046 4.403 1.00 0.55 C ATOM 1165 CG PHE A 78 6.004 11.168 4.782 1.00 0.58 C ATOM 1166 CD1 PHE A 78 5.013 11.211 3.785 1.00 1.77 C ATOM 1167 CD2 PHE A 78 5.626 11.225 6.137 1.00 2.20 C ATOM 1168 CE1 PHE A 78 3.660 11.343 4.137 1.00 1.77 C ATOM 1169 CE2 PHE A 78 4.270 11.287 6.492 1.00 2.36 C ATOM 1170 CZ PHE A 78 3.289 11.380 5.491 1.00 1.04 C ATOM 0 H PHE A 78 7.954 11.167 1.800 1.00 0.50 H new ATOM 0 HA PHE A 78 7.579 13.128 3.992 1.00 0.53 H new ATOM 0 HB2 PHE A 78 7.612 10.124 3.838 1.00 0.55 H new ATOM 0 HB3 PHE A 78 8.062 10.955 5.314 1.00 0.55 H new ATOM 0 HD1 PHE A 78 5.294 11.142 2.744 1.00 1.77 H new ATOM 0 HD2 PHE A 78 6.383 11.221 6.907 1.00 2.20 H new ATOM 0 HE1 PHE A 78 2.906 11.416 3.367 1.00 1.77 H new ATOM 0 HE2 PHE A 78 3.981 11.263 7.532 1.00 2.36 H new ATOM 0 HZ PHE A 78 2.249 11.480 5.763 1.00 1.04 H new ATOM 1180 N ASP A 79 10.016 13.163 4.590 1.00 0.60 N ATOM 1181 CA ASP A 79 11.420 13.416 4.874 1.00 0.64 C ATOM 1182 C ASP A 79 11.808 12.590 6.107 1.00 0.63 C ATOM 1183 O ASP A 79 10.928 12.264 6.905 1.00 0.67 O ATOM 1184 CB ASP A 79 11.582 14.923 5.105 1.00 0.77 C ATOM 1185 CG ASP A 79 13.018 15.385 4.922 1.00 0.59 C ATOM 1186 OD1 ASP A 79 13.915 14.532 5.078 1.00 1.47 O ATOM 1187 OD2 ASP A 79 13.177 16.579 4.593 1.00 1.57 O ATOM 0 H ASP A 79 9.397 13.702 5.196 1.00 0.60 H new ATOM 0 HA ASP A 79 12.075 13.124 4.054 1.00 0.64 H new ATOM 0 HB2 ASP A 79 10.938 15.465 4.413 1.00 0.77 H new ATOM 0 HB3 ASP A 79 11.249 15.171 6.113 1.00 0.77 H new ATOM 1192 N ILE A 80 13.068 12.177 6.252 1.00 0.63 N ATOM 1193 CA ILE A 80 13.469 11.191 7.248 1.00 0.57 C ATOM 1194 C ILE A 80 14.580 11.739 8.148 1.00 0.73 C ATOM 1195 O ILE A 80 15.728 11.818 7.719 1.00 0.96 O ATOM 1196 CB ILE A 80 13.951 9.911 6.544 1.00 0.47 C ATOM 1197 CG1 ILE A 80 13.005 9.461 5.420 1.00 0.42 C ATOM 1198 CG2 ILE A 80 14.083 8.793 7.587 1.00 0.55 C ATOM 1199 CD1 ILE A 80 13.726 8.490 4.502 1.00 0.58 C ATOM 0 H ILE A 80 13.839 12.520 5.679 1.00 0.63 H new ATOM 0 HA ILE A 80 12.606 10.963 7.873 1.00 0.57 H new ATOM 0 HB ILE A 80 14.914 10.127 6.081 1.00 0.47 H new ATOM 0 HG12 ILE A 80 12.120 8.986 5.844 1.00 0.42 H new ATOM 0 HG13 ILE A 80 12.661 10.326 4.853 1.00 0.42 H new ATOM 0 HG21 ILE A 80 14.424 7.880 7.100 1.00 0.55 H new ATOM 0 HG22 ILE A 80 14.804 9.089 8.349 1.00 0.55 H new ATOM 0 HG23 ILE A 80 13.114 8.615 8.054 1.00 0.55 H new ATOM 0 HD11 ILE A 80 13.052 8.173 3.706 1.00 0.58 H new ATOM 0 HD12 ILE A 80 14.597 8.980 4.066 1.00 0.58 H new ATOM 0 HD13 ILE A 80 14.047 7.619 5.074 1.00 0.58 H new ATOM 1211 N GLU A 81 14.303 11.984 9.436 1.00 0.78 N ATOM 1212 CA GLU A 81 15.371 12.273 10.381 1.00 0.99 C ATOM 1213 C GLU A 81 15.719 10.921 10.995 1.00 1.03 C ATOM 1214 O GLU A 81 15.286 10.558 12.091 1.00 1.49 O ATOM 1215 CB GLU A 81 14.909 13.312 11.402 1.00 1.36 C ATOM 1216 CG GLU A 81 15.277 14.766 11.088 1.00 1.37 C ATOM 1217 CD GLU A 81 14.054 15.671 11.058 1.00 1.55 C ATOM 1218 OE1 GLU A 81 13.064 15.292 10.404 1.00 2.63 O ATOM 1219 OE2 GLU A 81 14.065 16.706 11.762 1.00 2.17 O ATOM 0 H GLU A 81 13.364 11.987 9.835 1.00 0.78 H new ATOM 0 HA GLU A 81 16.254 12.716 9.921 1.00 0.99 H new ATOM 0 HB2 GLU A 81 13.825 13.244 11.497 1.00 1.36 H new ATOM 0 HB3 GLU A 81 15.331 13.052 12.373 1.00 1.36 H new ATOM 0 HG2 GLU A 81 15.980 15.132 11.837 1.00 1.37 H new ATOM 0 HG3 GLU A 81 15.785 14.811 10.125 1.00 1.37 H new ATOM 1226 N GLY A 82 16.446 10.133 10.214 1.00 1.01 N ATOM 1227 CA GLY A 82 16.677 8.730 10.508 1.00 1.49 C ATOM 1228 C GLY A 82 17.744 8.129 9.607 1.00 1.36 C ATOM 1229 O GLY A 82 18.642 7.447 10.099 1.00 1.76 O ATOM 0 H GLY A 82 16.893 10.453 9.355 1.00 1.01 H new ATOM 0 HA2 GLY A 82 16.979 8.623 11.550 1.00 1.49 H new ATOM 0 HA3 GLY A 82 15.746 8.176 10.387 1.00 1.49 H new ATOM 1233 N MET A 83 17.618 8.327 8.291 1.00 1.23 N ATOM 1234 CA MET A 83 18.573 7.894 7.302 1.00 1.50 C ATOM 1235 C MET A 83 20.022 8.229 7.696 1.00 1.33 C ATOM 1236 O MET A 83 20.284 9.139 8.477 1.00 1.73 O ATOM 1237 CB MET A 83 18.118 8.528 5.983 1.00 1.97 C ATOM 1238 CG MET A 83 18.743 7.873 4.760 1.00 1.97 C ATOM 1239 SD MET A 83 20.325 8.568 4.243 1.00 3.38 S ATOM 1240 CE MET A 83 20.933 7.200 3.251 1.00 4.11 C ATOM 0 H MET A 83 16.817 8.811 7.886 1.00 1.23 H new ATOM 0 HA MET A 83 18.594 6.808 7.207 1.00 1.50 H new ATOM 0 HB2 MET A 83 17.033 8.460 5.909 1.00 1.97 H new ATOM 0 HB3 MET A 83 18.371 9.588 5.990 1.00 1.97 H new ATOM 0 HG2 MET A 83 18.880 6.812 4.966 1.00 1.97 H new ATOM 0 HG3 MET A 83 18.042 7.948 3.929 1.00 1.97 H new ATOM 0 HE1 MET A 83 21.882 6.850 3.657 1.00 4.11 H new ATOM 0 HE2 MET A 83 20.208 6.386 3.270 1.00 4.11 H new ATOM 0 HE3 MET A 83 21.079 7.532 2.223 1.00 4.11 H new ATOM 1285 N ALA A 87 21.041 1.998 8.412 1.00 1.75 N ATOM 1286 CA ALA A 87 20.183 1.427 7.365 1.00 1.25 C ATOM 1287 C ALA A 87 18.707 1.784 7.571 1.00 1.02 C ATOM 1288 O ALA A 87 17.800 1.009 7.270 1.00 0.93 O ATOM 1289 CB ALA A 87 20.409 -0.087 7.274 1.00 1.36 C ATOM 0 HA ALA A 87 20.464 1.870 6.410 1.00 1.25 H new ATOM 0 HB1 ALA A 87 19.770 -0.504 6.496 1.00 1.36 H new ATOM 0 HB2 ALA A 87 21.453 -0.285 7.031 1.00 1.36 H new ATOM 0 HB3 ALA A 87 20.165 -0.549 8.230 1.00 1.36 H new ATOM 1295 N CYS A 88 18.469 2.988 8.086 1.00 1.03 N ATOM 1296 CA CYS A 88 17.193 3.355 8.680 1.00 0.96 C ATOM 1297 C CYS A 88 16.129 3.474 7.602 1.00 0.89 C ATOM 1298 O CYS A 88 15.046 2.910 7.723 1.00 0.82 O ATOM 1299 CB CYS A 88 17.344 4.668 9.442 1.00 1.05 C ATOM 1300 SG CYS A 88 18.612 4.466 10.710 1.00 1.10 S ATOM 0 H CYS A 88 19.161 3.737 8.101 1.00 1.03 H new ATOM 0 HA CYS A 88 16.881 2.579 9.379 1.00 0.96 H new ATOM 0 HB2 CYS A 88 17.619 5.471 8.758 1.00 1.05 H new ATOM 0 HB3 CYS A 88 16.395 4.950 9.899 1.00 1.05 H new ATOM 0 HG CYS A 88 18.053 4.115 11.830 1.00 1.10 H new ATOM 1306 N ALA A 89 16.464 4.183 6.522 1.00 0.95 N ATOM 1307 CA ALA A 89 15.620 4.302 5.347 1.00 0.92 C ATOM 1308 C ALA A 89 15.319 2.923 4.758 1.00 0.84 C ATOM 1309 O ALA A 89 14.200 2.677 4.327 1.00 0.78 O ATOM 1310 CB ALA A 89 16.278 5.250 4.349 1.00 1.13 C ATOM 0 H ALA A 89 17.343 4.695 6.445 1.00 0.95 H new ATOM 0 HA ALA A 89 14.655 4.730 5.619 1.00 0.92 H new ATOM 0 HB1 ALA A 89 15.647 5.342 3.465 1.00 1.13 H new ATOM 0 HB2 ALA A 89 16.405 6.230 4.808 1.00 1.13 H new ATOM 0 HB3 ALA A 89 17.252 4.855 4.060 1.00 1.13 H new ATOM 1316 N ASN A 90 16.278 1.992 4.774 1.00 0.89 N ATOM 1317 CA ASN A 90 16.004 0.642 4.286 1.00 0.89 C ATOM 1318 C ASN A 90 15.018 -0.063 5.218 1.00 0.81 C ATOM 1319 O ASN A 90 14.048 -0.666 4.764 1.00 0.82 O ATOM 1320 CB ASN A 90 17.290 -0.177 4.097 1.00 1.01 C ATOM 1321 CG ASN A 90 18.133 0.309 2.921 1.00 1.35 C ATOM 1322 OD1 ASN A 90 17.645 0.994 2.030 1.00 2.19 O ATOM 1323 ND2 ASN A 90 19.420 -0.024 2.908 1.00 1.52 N ATOM 0 H ASN A 90 17.228 2.144 5.111 1.00 0.89 H new ATOM 0 HA ASN A 90 15.548 0.727 3.300 1.00 0.89 H new ATOM 0 HB2 ASN A 90 17.884 -0.127 5.009 1.00 1.01 H new ATOM 0 HB3 ASN A 90 17.029 -1.224 3.943 1.00 1.01 H new ATOM 0 HD21 ASN A 90 20.021 0.292 2.147 1.00 1.52 H new ATOM 0 HD22 ASN A 90 19.807 -0.595 3.659 1.00 1.52 H new ATOM 1330 N ARG A 91 15.231 0.029 6.532 1.00 0.78 N ATOM 1331 CA ARG A 91 14.280 -0.505 7.500 1.00 0.75 C ATOM 1332 C ARG A 91 12.875 0.052 7.257 1.00 0.64 C ATOM 1333 O ARG A 91 11.920 -0.713 7.102 1.00 0.61 O ATOM 1334 CB ARG A 91 14.727 -0.196 8.932 1.00 0.88 C ATOM 1335 CG ARG A 91 15.619 -1.296 9.510 1.00 1.13 C ATOM 1336 CD ARG A 91 16.049 -0.852 10.910 1.00 2.25 C ATOM 1337 NE ARG A 91 16.559 -1.968 11.715 1.00 2.54 N ATOM 1338 CZ ARG A 91 16.652 -1.929 13.055 1.00 3.74 C ATOM 1339 NH1 ARG A 91 16.413 -0.781 13.705 1.00 4.96 N ATOM 1340 NH2 ARG A 91 16.975 -3.041 13.729 1.00 4.20 N ATOM 0 H ARG A 91 16.053 0.468 6.947 1.00 0.78 H new ATOM 0 HA ARG A 91 14.250 -1.587 7.370 1.00 0.75 H new ATOM 0 HB2 ARG A 91 15.266 0.751 8.946 1.00 0.88 H new ATOM 0 HB3 ARG A 91 13.849 -0.072 9.566 1.00 0.88 H new ATOM 0 HG2 ARG A 91 15.079 -2.242 9.557 1.00 1.13 H new ATOM 0 HG3 ARG A 91 16.490 -1.457 8.874 1.00 1.13 H new ATOM 0 HD2 ARG A 91 16.820 -0.086 10.825 1.00 2.25 H new ATOM 0 HD3 ARG A 91 15.201 -0.396 11.421 1.00 2.25 H new ATOM 0 HE ARG A 91 16.858 -2.816 11.233 1.00 2.54 H new ATOM 0 HH11 ARG A 91 16.162 0.058 13.182 1.00 4.96 H new ATOM 0 HH12 ARG A 91 16.482 -0.747 14.722 1.00 4.96 H new ATOM 0 HH21 ARG A 91 17.149 -3.911 13.225 1.00 4.20 H new ATOM 0 HH22 ARG A 91 17.047 -3.018 14.746 1.00 4.20 H new ATOM 1354 N ILE A 92 12.733 1.382 7.241 1.00 0.65 N ATOM 1355 CA ILE A 92 11.428 1.981 7.014 1.00 0.61 C ATOM 1356 C ILE A 92 10.879 1.575 5.642 1.00 0.51 C ATOM 1357 O ILE A 92 9.699 1.262 5.555 1.00 0.50 O ATOM 1358 CB ILE A 92 11.377 3.495 7.301 1.00 0.80 C ATOM 1359 CG1 ILE A 92 12.300 4.365 6.465 1.00 1.23 C ATOM 1360 CG2 ILE A 92 11.587 3.825 8.782 1.00 1.81 C ATOM 1361 CD1 ILE A 92 11.674 5.735 6.213 1.00 1.54 C ATOM 0 H ILE A 92 13.494 2.047 7.380 1.00 0.65 H new ATOM 0 HA ILE A 92 10.746 1.570 7.759 1.00 0.61 H new ATOM 0 HB ILE A 92 10.361 3.748 7.000 1.00 0.80 H new ATOM 0 HG12 ILE A 92 13.255 4.485 6.976 1.00 1.23 H new ATOM 0 HG13 ILE A 92 12.507 3.874 5.514 1.00 1.23 H new ATOM 0 HG21 ILE A 92 11.541 4.905 8.924 1.00 1.81 H new ATOM 0 HG22 ILE A 92 10.807 3.347 9.375 1.00 1.81 H new ATOM 0 HG23 ILE A 92 12.562 3.458 9.102 1.00 1.81 H new ATOM 0 HD11 ILE A 92 12.353 6.340 5.613 1.00 1.54 H new ATOM 0 HD12 ILE A 92 10.731 5.612 5.681 1.00 1.54 H new ATOM 0 HD13 ILE A 92 11.491 6.232 7.166 1.00 1.54 H new ATOM 1373 N GLU A 93 11.707 1.501 4.595 1.00 0.57 N ATOM 1374 CA GLU A 93 11.295 1.103 3.264 1.00 0.58 C ATOM 1375 C GLU A 93 10.614 -0.245 3.360 1.00 0.58 C ATOM 1376 O GLU A 93 9.427 -0.355 3.081 1.00 0.57 O ATOM 1377 CB GLU A 93 12.522 1.040 2.339 1.00 0.74 C ATOM 1378 CG GLU A 93 12.200 0.569 0.920 1.00 0.78 C ATOM 1379 CD GLU A 93 12.162 -0.949 0.771 1.00 1.08 C ATOM 1380 OE1 GLU A 93 13.212 -1.581 1.003 1.00 1.93 O ATOM 1381 OE2 GLU A 93 11.073 -1.469 0.444 1.00 2.29 O ATOM 0 H GLU A 93 12.700 1.723 4.660 1.00 0.57 H new ATOM 0 HA GLU A 93 10.598 1.828 2.844 1.00 0.58 H new ATOM 0 HB2 GLU A 93 12.979 2.028 2.289 1.00 0.74 H new ATOM 0 HB3 GLU A 93 13.261 0.369 2.776 1.00 0.74 H new ATOM 0 HG2 GLU A 93 11.235 0.979 0.621 1.00 0.78 H new ATOM 0 HG3 GLU A 93 12.945 0.974 0.235 1.00 0.78 H new ATOM 1388 N LYS A 94 11.356 -1.251 3.826 1.00 0.67 N ATOM 1389 CA LYS A 94 10.877 -2.621 3.868 1.00 0.79 C ATOM 1390 C LYS A 94 9.561 -2.720 4.643 1.00 0.77 C ATOM 1391 O LYS A 94 8.753 -3.606 4.362 1.00 0.96 O ATOM 1392 CB LYS A 94 11.962 -3.534 4.459 1.00 0.91 C ATOM 1393 CG LYS A 94 13.251 -3.552 3.617 1.00 1.54 C ATOM 1394 CD LYS A 94 13.169 -4.384 2.330 1.00 1.24 C ATOM 1395 CE LYS A 94 13.293 -5.888 2.616 1.00 1.75 C ATOM 1396 NZ LYS A 94 13.385 -6.673 1.368 1.00 2.92 N ATOM 0 H LYS A 94 12.304 -1.132 4.183 1.00 0.67 H new ATOM 0 HA LYS A 94 10.669 -2.956 2.852 1.00 0.79 H new ATOM 0 HB2 LYS A 94 12.199 -3.202 5.470 1.00 0.91 H new ATOM 0 HB3 LYS A 94 11.572 -4.549 4.540 1.00 0.91 H new ATOM 0 HG2 LYS A 94 13.510 -2.527 3.354 1.00 1.54 H new ATOM 0 HG3 LYS A 94 14.064 -3.939 4.231 1.00 1.54 H new ATOM 0 HD2 LYS A 94 12.222 -4.186 1.829 1.00 1.24 H new ATOM 0 HD3 LYS A 94 13.961 -4.077 1.647 1.00 1.24 H new ATOM 0 HE2 LYS A 94 14.176 -6.071 3.228 1.00 1.75 H new ATOM 0 HE3 LYS A 94 12.431 -6.221 3.194 1.00 1.75 H new ATOM 0 HZ1 LYS A 94 13.468 -7.684 1.599 1.00 2.92 H new ATOM 0 HZ2 LYS A 94 12.530 -6.517 0.796 1.00 2.92 H new ATOM 0 HZ3 LYS A 94 14.222 -6.372 0.829 1.00 2.92 H new ATOM 1410 N ARG A 95 9.338 -1.823 5.611 1.00 0.64 N ATOM 1411 CA ARG A 95 8.027 -1.704 6.239 1.00 0.75 C ATOM 1412 C ARG A 95 7.012 -1.043 5.302 1.00 0.80 C ATOM 1413 O ARG A 95 6.102 -1.712 4.806 1.00 0.99 O ATOM 1414 CB ARG A 95 8.164 -0.971 7.577 1.00 0.74 C ATOM 1415 CG ARG A 95 8.707 -1.939 8.635 1.00 0.98 C ATOM 1416 CD ARG A 95 7.559 -2.421 9.534 1.00 1.24 C ATOM 1417 NE ARG A 95 8.023 -3.365 10.563 1.00 1.37 N ATOM 1418 CZ ARG A 95 8.224 -4.679 10.370 1.00 1.95 C ATOM 1419 NH1 ARG A 95 8.094 -5.199 9.145 1.00 3.21 N ATOM 1420 NH2 ARG A 95 8.554 -5.463 11.403 1.00 2.49 N ATOM 0 H ARG A 95 10.042 -1.178 5.970 1.00 0.64 H new ATOM 0 HA ARG A 95 7.635 -2.701 6.442 1.00 0.75 H new ATOM 0 HB2 ARG A 95 8.835 -0.118 7.470 1.00 0.74 H new ATOM 0 HB3 ARG A 95 7.196 -0.578 7.890 1.00 0.74 H new ATOM 0 HG2 ARG A 95 9.185 -2.791 8.151 1.00 0.98 H new ATOM 0 HG3 ARG A 95 9.470 -1.445 9.237 1.00 0.98 H new ATOM 0 HD2 ARG A 95 7.090 -1.562 10.015 1.00 1.24 H new ATOM 0 HD3 ARG A 95 6.795 -2.900 8.921 1.00 1.24 H new ATOM 0 HE ARG A 95 8.206 -2.993 11.495 1.00 1.37 H new ATOM 0 HH11 ARG A 95 7.843 -4.598 8.360 1.00 3.21 H new ATOM 0 HH12 ARG A 95 8.246 -6.196 8.996 1.00 3.21 H new ATOM 0 HH21 ARG A 95 8.653 -5.063 12.336 1.00 2.49 H new ATOM 0 HH22 ARG A 95 8.707 -6.461 11.257 1.00 2.49 H new ATOM 1434 N LEU A 96 7.172 0.268 5.080 1.00 0.67 N ATOM 1435 CA LEU A 96 6.311 1.120 4.263 1.00 0.75 C ATOM 1436 C LEU A 96 5.831 0.384 3.018 1.00 0.80 C ATOM 1437 O LEU A 96 4.630 0.364 2.770 1.00 0.88 O ATOM 1438 CB LEU A 96 7.008 2.442 3.914 1.00 0.74 C ATOM 1439 CG LEU A 96 6.845 3.513 5.013 1.00 0.89 C ATOM 1440 CD1 LEU A 96 8.162 3.904 5.674 1.00 0.98 C ATOM 1441 CD2 LEU A 96 6.169 4.751 4.428 1.00 2.12 C ATOM 0 H LEU A 96 7.949 0.787 5.490 1.00 0.67 H new ATOM 0 HA LEU A 96 5.428 1.368 4.851 1.00 0.75 H new ATOM 0 HB2 LEU A 96 8.069 2.255 3.750 1.00 0.74 H new ATOM 0 HB3 LEU A 96 6.603 2.825 2.977 1.00 0.74 H new ATOM 0 HG LEU A 96 6.224 3.073 5.793 1.00 0.89 H new ATOM 0 HD11 LEU A 96 7.976 4.660 6.437 1.00 0.98 H new ATOM 0 HD12 LEU A 96 8.612 3.025 6.136 1.00 0.98 H new ATOM 0 HD13 LEU A 96 8.841 4.306 4.922 1.00 0.98 H new ATOM 0 HD21 LEU A 96 6.055 5.505 5.206 1.00 2.12 H new ATOM 0 HD22 LEU A 96 6.781 5.152 3.620 1.00 2.12 H new ATOM 0 HD23 LEU A 96 5.187 4.480 4.039 1.00 2.12 H new ATOM 1453 N ASN A 97 6.763 -0.266 2.308 1.00 0.82 N ATOM 1454 CA ASN A 97 6.576 -1.101 1.123 1.00 0.98 C ATOM 1455 C ASN A 97 5.203 -1.772 1.095 1.00 1.14 C ATOM 1456 O ASN A 97 4.542 -1.755 0.062 1.00 1.22 O ATOM 1457 CB ASN A 97 7.699 -2.148 1.067 1.00 1.11 C ATOM 1458 CG ASN A 97 7.887 -2.765 -0.315 1.00 1.22 C ATOM 1459 OD1 ASN A 97 7.026 -3.485 -0.813 1.00 1.54 O ATOM 1460 ND2 ASN A 97 9.045 -2.564 -0.929 1.00 1.44 N ATOM 0 H ASN A 97 7.747 -0.214 2.573 1.00 0.82 H new ATOM 0 HA ASN A 97 6.622 -0.461 0.242 1.00 0.98 H new ATOM 0 HB2 ASN A 97 8.634 -1.683 1.379 1.00 1.11 H new ATOM 0 HB3 ASN A 97 7.482 -2.940 1.784 1.00 1.11 H new ATOM 0 HD21 ASN A 97 9.230 -3.010 -1.827 1.00 1.44 H new ATOM 0 HD22 ASN A 97 9.751 -1.963 -0.503 1.00 1.44 H new ATOM 1467 N LYS A 98 4.764 -2.334 2.229 1.00 1.19 N ATOM 1468 CA LYS A 98 3.349 -2.614 2.446 1.00 1.20 C ATOM 1469 C LYS A 98 3.038 -2.695 3.944 1.00 1.22 C ATOM 1470 O LYS A 98 2.977 -3.794 4.496 1.00 1.37 O ATOM 1471 CB LYS A 98 2.876 -3.856 1.677 1.00 1.33 C ATOM 1472 CG LYS A 98 3.851 -5.031 1.801 1.00 1.61 C ATOM 1473 CD LYS A 98 4.615 -5.253 0.489 1.00 3.33 C ATOM 1474 CE LYS A 98 5.949 -5.961 0.748 1.00 4.33 C ATOM 1475 NZ LYS A 98 6.732 -6.109 -0.495 1.00 5.83 N ATOM 0 H LYS A 98 5.370 -2.601 3.005 1.00 1.19 H new ATOM 0 HA LYS A 98 2.778 -1.780 2.038 1.00 1.20 H new ATOM 0 HB2 LYS A 98 1.898 -4.159 2.050 1.00 1.33 H new ATOM 0 HB3 LYS A 98 2.751 -3.602 0.624 1.00 1.33 H new ATOM 0 HG2 LYS A 98 4.557 -4.839 2.609 1.00 1.61 H new ATOM 0 HG3 LYS A 98 3.304 -5.936 2.065 1.00 1.61 H new ATOM 0 HD2 LYS A 98 4.009 -5.849 -0.194 1.00 3.33 H new ATOM 0 HD3 LYS A 98 4.795 -4.295 0.002 1.00 3.33 H new ATOM 0 HE2 LYS A 98 6.527 -5.395 1.478 1.00 4.33 H new ATOM 0 HE3 LYS A 98 5.763 -6.944 1.181 1.00 4.33 H new ATOM 0 HZ1 LYS A 98 7.544 -6.736 -0.321 1.00 5.83 H new ATOM 0 HZ2 LYS A 98 6.130 -6.519 -1.237 1.00 5.83 H new ATOM 0 HZ3 LYS A 98 7.074 -5.176 -0.803 1.00 5.83 H new ATOM 1489 N ILE A 99 2.819 -1.538 4.586 1.00 1.12 N ATOM 1490 CA ILE A 99 2.301 -1.482 5.956 1.00 1.16 C ATOM 1491 C ILE A 99 0.874 -2.039 5.990 1.00 1.22 C ATOM 1492 O ILE A 99 0.656 -3.104 6.561 1.00 1.49 O ATOM 1493 CB ILE A 99 2.419 -0.056 6.547 1.00 1.08 C ATOM 1494 CG1 ILE A 99 3.886 0.182 6.940 1.00 1.03 C ATOM 1495 CG2 ILE A 99 1.535 0.149 7.790 1.00 1.18 C ATOM 1496 CD1 ILE A 99 4.204 1.646 7.260 1.00 2.05 C ATOM 0 H ILE A 99 2.995 -0.623 4.172 1.00 1.12 H new ATOM 0 HA ILE A 99 2.911 -2.114 6.602 1.00 1.16 H new ATOM 0 HB ILE A 99 2.081 0.649 5.788 1.00 1.08 H new ATOM 0 HG12 ILE A 99 4.125 -0.432 7.809 1.00 1.03 H new ATOM 0 HG13 ILE A 99 4.530 -0.152 6.127 1.00 1.03 H new ATOM 0 HG21 ILE A 99 1.659 1.166 8.161 1.00 1.18 H new ATOM 0 HG22 ILE A 99 0.491 -0.016 7.525 1.00 1.18 H new ATOM 0 HG23 ILE A 99 1.829 -0.558 8.566 1.00 1.18 H new ATOM 0 HD11 ILE A 99 5.256 1.739 7.529 1.00 2.05 H new ATOM 0 HD12 ILE A 99 3.997 2.263 6.386 1.00 2.05 H new ATOM 0 HD13 ILE A 99 3.585 1.979 8.093 1.00 2.05 H new ATOM 1508 N GLU A 100 -0.088 -1.321 5.394 1.00 1.09 N ATOM 1509 CA GLU A 100 -1.502 -1.687 5.441 1.00 0.93 C ATOM 1510 C GLU A 100 -2.184 -1.345 4.115 1.00 0.83 C ATOM 1511 O GLU A 100 -2.694 -2.233 3.434 1.00 1.33 O ATOM 1512 CB GLU A 100 -2.180 -1.027 6.654 1.00 0.90 C ATOM 1513 CG GLU A 100 -3.394 -1.838 7.120 1.00 1.62 C ATOM 1514 CD GLU A 100 -4.018 -1.217 8.362 1.00 1.74 C ATOM 1515 OE1 GLU A 100 -3.452 -1.446 9.453 1.00 2.18 O ATOM 1516 OE2 GLU A 100 -5.040 -0.521 8.191 1.00 2.61 O ATOM 0 H GLU A 100 0.098 -0.469 4.865 1.00 1.09 H new ATOM 0 HA GLU A 100 -1.599 -2.765 5.573 1.00 0.93 H new ATOM 0 HB2 GLU A 100 -1.464 -0.938 7.471 1.00 0.90 H new ATOM 0 HB3 GLU A 100 -2.493 -0.016 6.393 1.00 0.90 H new ATOM 0 HG2 GLU A 100 -4.134 -1.884 6.321 1.00 1.62 H new ATOM 0 HG3 GLU A 100 -3.091 -2.863 7.334 1.00 1.62 H new ATOM 1523 N GLY A 101 -2.149 -0.064 3.728 1.00 0.99 N ATOM 1524 CA GLY A 101 -2.729 0.419 2.479 1.00 0.92 C ATOM 1525 C GLY A 101 -1.726 1.242 1.685 1.00 0.90 C ATOM 1526 O GLY A 101 -2.044 2.331 1.204 1.00 0.95 O ATOM 0 H GLY A 101 -1.711 0.671 4.283 1.00 0.99 H new ATOM 0 HA2 GLY A 101 -3.063 -0.428 1.880 1.00 0.92 H new ATOM 0 HA3 GLY A 101 -3.609 1.024 2.695 1.00 0.92 H new ATOM 1530 N VAL A 102 -0.514 0.700 1.552 1.00 0.91 N ATOM 1531 CA VAL A 102 0.578 1.284 0.794 1.00 0.90 C ATOM 1532 C VAL A 102 0.759 0.450 -0.467 1.00 0.91 C ATOM 1533 O VAL A 102 0.938 -0.763 -0.379 1.00 0.91 O ATOM 1534 CB VAL A 102 1.862 1.327 1.634 1.00 0.90 C ATOM 1535 CG1 VAL A 102 2.893 2.220 0.935 1.00 0.86 C ATOM 1536 CG2 VAL A 102 1.589 1.838 3.054 1.00 0.85 C ATOM 0 H VAL A 102 -0.264 -0.188 1.987 1.00 0.91 H new ATOM 0 HA VAL A 102 0.351 2.315 0.524 1.00 0.90 H new ATOM 0 HB VAL A 102 2.252 0.313 1.722 1.00 0.90 H new ATOM 0 HG11 VAL A 102 3.807 2.254 1.528 1.00 0.86 H new ATOM 0 HG12 VAL A 102 3.116 1.815 -0.052 1.00 0.86 H new ATOM 0 HG13 VAL A 102 2.491 3.228 0.831 1.00 0.86 H new ATOM 0 HG21 VAL A 102 2.520 1.855 3.620 1.00 0.85 H new ATOM 0 HG22 VAL A 102 1.176 2.845 3.005 1.00 0.85 H new ATOM 0 HG23 VAL A 102 0.877 1.177 3.548 1.00 0.85 H new ATOM 1546 N ALA A 103 0.705 1.098 -1.631 1.00 0.93 N ATOM 1547 CA ALA A 103 1.014 0.451 -2.890 1.00 0.96 C ATOM 1548 C ALA A 103 2.524 0.251 -2.994 1.00 0.92 C ATOM 1549 O ALA A 103 2.976 -0.856 -3.273 1.00 0.92 O ATOM 1550 CB ALA A 103 0.477 1.274 -4.062 1.00 1.00 C ATOM 0 H ALA A 103 0.446 2.081 -1.719 1.00 0.93 H new ATOM 0 HA ALA A 103 0.529 -0.524 -2.929 1.00 0.96 H new ATOM 0 HB1 ALA A 103 0.718 0.773 -4.999 1.00 1.00 H new ATOM 0 HB2 ALA A 103 -0.605 1.373 -3.972 1.00 1.00 H new ATOM 0 HB3 ALA A 103 0.934 2.263 -4.051 1.00 1.00 H new ATOM 1556 N ASN A 104 3.297 1.324 -2.770 1.00 0.90 N ATOM 1557 CA ASN A 104 4.751 1.316 -2.931 1.00 0.90 C ATOM 1558 C ASN A 104 5.385 2.334 -1.993 1.00 0.87 C ATOM 1559 O ASN A 104 4.697 3.181 -1.424 1.00 0.84 O ATOM 1560 CB ASN A 104 5.172 1.642 -4.375 1.00 0.94 C ATOM 1561 CG ASN A 104 4.600 0.665 -5.391 1.00 0.93 C ATOM 1562 OD1 ASN A 104 5.076 -0.460 -5.511 1.00 0.98 O ATOM 1563 ND2 ASN A 104 3.578 1.087 -6.126 1.00 0.90 N ATOM 0 H ASN A 104 2.925 2.225 -2.470 1.00 0.90 H new ATOM 0 HA ASN A 104 5.096 0.310 -2.690 1.00 0.90 H new ATOM 0 HB2 ASN A 104 4.845 2.651 -4.625 1.00 0.94 H new ATOM 0 HB3 ASN A 104 6.260 1.633 -4.442 1.00 0.94 H new ATOM 0 HD21 ASN A 104 3.160 0.468 -6.821 1.00 0.90 H new ATOM 0 HD22 ASN A 104 3.211 2.030 -5.996 1.00 0.90 H new ATOM 1570 N ALA A 105 6.711 2.270 -1.850 1.00 0.88 N ATOM 1571 CA ALA A 105 7.437 3.174 -0.961 1.00 0.78 C ATOM 1572 C ALA A 105 8.910 3.369 -1.351 1.00 0.85 C ATOM 1573 O ALA A 105 9.792 2.993 -0.581 1.00 0.95 O ATOM 1574 CB ALA A 105 7.318 2.670 0.479 1.00 0.89 C ATOM 0 H ALA A 105 7.303 1.599 -2.340 1.00 0.88 H new ATOM 0 HA ALA A 105 6.977 4.158 -1.055 1.00 0.78 H new ATOM 0 HB1 ALA A 105 7.859 3.342 1.146 1.00 0.89 H new ATOM 0 HB2 ALA A 105 6.268 2.640 0.768 1.00 0.89 H new ATOM 0 HB3 ALA A 105 7.743 1.669 0.550 1.00 0.89 H new ATOM 1580 N PRO A 106 9.217 3.934 -2.529 1.00 0.85 N ATOM 1581 CA PRO A 106 10.596 4.133 -2.942 1.00 0.97 C ATOM 1582 C PRO A 106 11.280 5.209 -2.084 1.00 0.85 C ATOM 1583 O PRO A 106 10.696 6.255 -1.792 1.00 0.71 O ATOM 1584 CB PRO A 106 10.532 4.503 -4.425 1.00 1.06 C ATOM 1585 CG PRO A 106 9.151 5.137 -4.578 1.00 0.91 C ATOM 1586 CD PRO A 106 8.292 4.392 -3.553 1.00 0.80 C ATOM 0 HA PRO A 106 11.202 3.238 -2.801 1.00 0.97 H new ATOM 0 HB2 PRO A 106 11.325 5.199 -4.699 1.00 1.06 H new ATOM 0 HB3 PRO A 106 10.643 3.626 -5.062 1.00 1.06 H new ATOM 0 HG2 PRO A 106 9.178 6.208 -4.375 1.00 0.91 H new ATOM 0 HG3 PRO A 106 8.764 5.014 -5.589 1.00 0.91 H new ATOM 0 HD2 PRO A 106 7.531 5.047 -3.129 1.00 0.80 H new ATOM 0 HD3 PRO A 106 7.770 3.553 -4.014 1.00 0.80 H new ATOM 1594 N VAL A 107 12.528 4.938 -1.686 1.00 0.95 N ATOM 1595 CA VAL A 107 13.355 5.835 -0.890 1.00 0.90 C ATOM 1596 C VAL A 107 14.376 6.539 -1.780 1.00 1.03 C ATOM 1597 O VAL A 107 15.003 5.905 -2.625 1.00 1.18 O ATOM 1598 CB VAL A 107 14.012 5.084 0.283 1.00 0.98 C ATOM 1599 CG1 VAL A 107 12.935 4.585 1.249 1.00 1.37 C ATOM 1600 CG2 VAL A 107 14.878 3.889 -0.143 1.00 2.11 C ATOM 0 H VAL A 107 12.998 4.063 -1.918 1.00 0.95 H new ATOM 0 HA VAL A 107 12.722 6.605 -0.449 1.00 0.90 H new ATOM 0 HB VAL A 107 14.675 5.805 0.760 1.00 0.98 H new ATOM 0 HG11 VAL A 107 13.406 4.055 2.077 1.00 1.37 H new ATOM 0 HG12 VAL A 107 12.372 5.434 1.636 1.00 1.37 H new ATOM 0 HG13 VAL A 107 12.259 3.910 0.723 1.00 1.37 H new ATOM 0 HG21 VAL A 107 15.304 3.415 0.741 1.00 2.11 H new ATOM 0 HG22 VAL A 107 14.263 3.167 -0.681 1.00 2.11 H new ATOM 0 HG23 VAL A 107 15.682 4.236 -0.792 1.00 2.11 H new ATOM 1610 N ASN A 108 14.550 7.851 -1.593 1.00 1.08 N ATOM 1611 CA ASN A 108 15.486 8.634 -2.384 1.00 1.32 C ATOM 1612 C ASN A 108 16.911 8.418 -1.907 1.00 1.35 C ATOM 1613 O ASN A 108 17.835 8.497 -2.712 1.00 3.02 O ATOM 1614 CB ASN A 108 15.147 10.130 -2.319 1.00 1.31 C ATOM 1615 CG ASN A 108 14.089 10.533 -3.339 1.00 1.72 C ATOM 1616 OD1 ASN A 108 13.212 9.753 -3.693 1.00 1.54 O ATOM 1617 ND2 ASN A 108 14.190 11.753 -3.858 1.00 2.79 N ATOM 0 H ASN A 108 14.045 8.392 -0.891 1.00 1.08 H new ATOM 0 HA ASN A 108 15.401 8.297 -3.417 1.00 1.32 H new ATOM 0 HB2 ASN A 108 14.794 10.376 -1.318 1.00 1.31 H new ATOM 0 HB3 ASN A 108 16.052 10.712 -2.490 1.00 1.31 H new ATOM 0 HD21 ASN A 108 13.527 12.061 -4.570 1.00 2.79 H new ATOM 0 HD22 ASN A 108 14.930 12.381 -3.544 1.00 2.79 H new ATOM 1624 N PHE A 109 17.101 8.209 -0.598 1.00 1.36 N ATOM 1625 CA PHE A 109 18.391 8.099 0.065 1.00 1.19 C ATOM 1626 C PHE A 109 19.139 9.435 0.067 1.00 1.42 C ATOM 1627 O PHE A 109 19.385 10.004 1.123 1.00 2.37 O ATOM 1628 CB PHE A 109 19.236 6.955 -0.527 1.00 1.18 C ATOM 1629 CG PHE A 109 19.284 5.703 0.321 1.00 1.43 C ATOM 1630 CD1 PHE A 109 18.096 5.184 0.860 1.00 2.81 C ATOM 1631 CD2 PHE A 109 20.521 5.132 0.677 1.00 1.74 C ATOM 1632 CE1 PHE A 109 18.148 4.156 1.811 1.00 3.19 C ATOM 1633 CE2 PHE A 109 20.575 4.141 1.670 1.00 2.13 C ATOM 1634 CZ PHE A 109 19.387 3.659 2.246 1.00 2.42 C ATOM 0 H PHE A 109 16.320 8.109 0.050 1.00 1.36 H new ATOM 0 HA PHE A 109 18.204 7.843 1.108 1.00 1.19 H new ATOM 0 HB2 PHE A 109 18.838 6.698 -1.509 1.00 1.18 H new ATOM 0 HB3 PHE A 109 20.254 7.314 -0.679 1.00 1.18 H new ATOM 0 HD1 PHE A 109 17.142 5.577 0.542 1.00 2.81 H new ATOM 0 HD2 PHE A 109 21.427 5.456 0.187 1.00 1.74 H new ATOM 0 HE1 PHE A 109 17.233 3.745 2.210 1.00 3.19 H new ATOM 0 HE2 PHE A 109 21.529 3.749 1.991 1.00 2.13 H new ATOM 0 HZ PHE A 109 19.427 2.908 3.021 1.00 2.42 H new ATOM 1644 N ALA A 110 19.493 9.944 -1.112 1.00 0.85 N ATOM 1645 CA ALA A 110 20.387 11.077 -1.280 1.00 1.13 C ATOM 1646 C ALA A 110 19.819 12.320 -0.602 1.00 1.24 C ATOM 1647 O ALA A 110 20.554 13.107 -0.015 1.00 1.55 O ATOM 1648 CB ALA A 110 20.590 11.328 -2.776 1.00 1.33 C ATOM 0 H ALA A 110 19.154 9.566 -1.997 1.00 0.85 H new ATOM 0 HA ALA A 110 21.346 10.854 -0.812 1.00 1.13 H new ATOM 0 HB1 ALA A 110 21.260 12.177 -2.915 1.00 1.33 H new ATOM 0 HB2 ALA A 110 21.026 10.442 -3.238 1.00 1.33 H new ATOM 0 HB3 ALA A 110 19.629 11.544 -3.242 1.00 1.33 H new ATOM 1654 N LEU A 111 18.500 12.488 -0.711 1.00 1.09 N ATOM 1655 CA LEU A 111 17.783 13.605 -0.120 1.00 1.19 C ATOM 1656 C LEU A 111 17.294 13.280 1.297 1.00 1.03 C ATOM 1657 O LEU A 111 16.663 14.130 1.914 1.00 1.02 O ATOM 1658 CB LEU A 111 16.581 13.958 -1.007 1.00 1.32 C ATOM 1659 CG LEU A 111 16.882 14.143 -2.502 1.00 1.58 C ATOM 1660 CD1 LEU A 111 15.673 14.813 -3.165 1.00 1.98 C ATOM 1661 CD2 LEU A 111 18.124 15.006 -2.768 1.00 1.87 C ATOM 0 H LEU A 111 17.898 11.841 -1.220 1.00 1.09 H new ATOM 0 HA LEU A 111 18.468 14.450 -0.052 1.00 1.19 H new ATOM 0 HB2 LEU A 111 15.833 13.172 -0.901 1.00 1.32 H new ATOM 0 HB3 LEU A 111 16.133 14.877 -0.630 1.00 1.32 H new ATOM 0 HG LEU A 111 17.080 13.154 -2.916 1.00 1.58 H new ATOM 0 HD11 LEU A 111 15.871 14.951 -4.228 1.00 1.98 H new ATOM 0 HD12 LEU A 111 14.793 14.182 -3.039 1.00 1.98 H new ATOM 0 HD13 LEU A 111 15.494 15.782 -2.700 1.00 1.98 H new ATOM 0 HD21 LEU A 111 18.280 15.097 -3.843 1.00 1.87 H new ATOM 0 HD22 LEU A 111 17.978 15.997 -2.337 1.00 1.87 H new ATOM 0 HD23 LEU A 111 18.997 14.538 -2.313 1.00 1.87 H new ATOM 1673 N GLU A 112 17.510 12.048 1.777 1.00 0.97 N ATOM 1674 CA GLU A 112 16.969 11.543 3.029 1.00 0.87 C ATOM 1675 C GLU A 112 15.432 11.559 3.038 1.00 0.68 C ATOM 1676 O GLU A 112 14.826 11.775 4.083 1.00 0.77 O ATOM 1677 CB GLU A 112 17.595 12.279 4.226 1.00 1.05 C ATOM 1678 CG GLU A 112 19.130 12.295 4.126 1.00 1.29 C ATOM 1679 CD GLU A 112 19.780 12.759 5.422 1.00 2.19 C ATOM 1680 OE1 GLU A 112 19.608 12.034 6.425 1.00 3.52 O ATOM 1681 OE2 GLU A 112 20.456 13.809 5.381 1.00 2.52 O ATOM 0 H GLU A 112 18.083 11.362 1.285 1.00 0.97 H new ATOM 0 HA GLU A 112 17.246 10.493 3.126 1.00 0.87 H new ATOM 0 HB2 GLU A 112 17.219 13.302 4.265 1.00 1.05 H new ATOM 0 HB3 GLU A 112 17.293 11.793 5.154 1.00 1.05 H new ATOM 0 HG2 GLU A 112 19.488 11.296 3.878 1.00 1.29 H new ATOM 0 HG3 GLU A 112 19.434 12.953 3.312 1.00 1.29 H new ATOM 1688 N THR A 113 14.798 11.279 1.888 1.00 0.63 N ATOM 1689 CA THR A 113 13.342 11.249 1.759 1.00 0.53 C ATOM 1690 C THR A 113 12.850 9.866 1.341 1.00 0.47 C ATOM 1691 O THR A 113 13.590 9.083 0.739 1.00 0.57 O ATOM 1692 CB THR A 113 12.814 12.363 0.828 1.00 0.75 C ATOM 1693 OG1 THR A 113 12.907 12.052 -0.552 1.00 0.88 O ATOM 1694 CG2 THR A 113 13.582 13.657 1.081 1.00 0.88 C ATOM 0 H THR A 113 15.289 11.067 1.020 1.00 0.63 H new ATOM 0 HA THR A 113 12.927 11.455 2.746 1.00 0.53 H new ATOM 0 HB THR A 113 11.756 12.470 1.066 1.00 0.75 H new ATOM 0 HG1 THR A 113 12.221 12.547 -1.046 1.00 0.88 H new ATOM 0 HG21 THR A 113 13.205 14.439 0.421 1.00 0.88 H new ATOM 0 HG22 THR A 113 13.449 13.962 2.119 1.00 0.88 H new ATOM 0 HG23 THR A 113 14.642 13.496 0.884 1.00 0.88 H new ATOM 1702 N VAL A 114 11.589 9.582 1.669 1.00 0.43 N ATOM 1703 CA VAL A 114 10.825 8.439 1.207 1.00 0.42 C ATOM 1704 C VAL A 114 9.559 8.953 0.535 1.00 0.43 C ATOM 1705 O VAL A 114 8.806 9.715 1.141 1.00 0.39 O ATOM 1706 CB VAL A 114 10.533 7.459 2.362 1.00 0.39 C ATOM 1707 CG1 VAL A 114 9.901 8.117 3.594 1.00 0.38 C ATOM 1708 CG2 VAL A 114 9.633 6.303 1.903 1.00 0.42 C ATOM 0 H VAL A 114 11.051 10.179 2.297 1.00 0.43 H new ATOM 0 HA VAL A 114 11.400 7.868 0.478 1.00 0.42 H new ATOM 0 HB VAL A 114 11.512 7.082 2.657 1.00 0.39 H new ATOM 0 HG11 VAL A 114 9.727 7.362 4.361 1.00 0.38 H new ATOM 0 HG12 VAL A 114 10.573 8.881 3.984 1.00 0.38 H new ATOM 0 HG13 VAL A 114 8.953 8.576 3.315 1.00 0.38 H new ATOM 0 HG21 VAL A 114 9.447 5.632 2.741 1.00 0.42 H new ATOM 0 HG22 VAL A 114 8.685 6.701 1.540 1.00 0.42 H new ATOM 0 HG23 VAL A 114 10.126 5.754 1.101 1.00 0.42 H new ATOM 1718 N THR A 115 9.303 8.528 -0.702 1.00 0.54 N ATOM 1719 CA THR A 115 7.991 8.704 -1.285 1.00 0.56 C ATOM 1720 C THR A 115 7.151 7.534 -0.792 1.00 0.54 C ATOM 1721 O THR A 115 7.552 6.390 -0.968 1.00 0.75 O ATOM 1722 CB THR A 115 8.077 8.727 -2.813 1.00 0.76 C ATOM 1723 OG1 THR A 115 9.159 9.527 -3.243 1.00 0.80 O ATOM 1724 CG2 THR A 115 6.778 9.268 -3.413 1.00 1.04 C ATOM 0 H THR A 115 9.983 8.066 -1.306 1.00 0.54 H new ATOM 0 HA THR A 115 7.544 9.654 -0.990 1.00 0.56 H new ATOM 0 HB THR A 115 8.235 7.704 -3.154 1.00 0.76 H new ATOM 0 HG1 THR A 115 9.197 9.527 -4.222 1.00 0.80 H new ATOM 0 HG21 THR A 115 6.856 9.278 -4.500 1.00 1.04 H new ATOM 0 HG22 THR A 115 5.946 8.630 -3.114 1.00 1.04 H new ATOM 0 HG23 THR A 115 6.605 10.282 -3.052 1.00 1.04 H new ATOM 1732 N VAL A 116 6.017 7.811 -0.155 1.00 0.49 N ATOM 1733 CA VAL A 116 5.048 6.818 0.257 1.00 0.49 C ATOM 1734 C VAL A 116 3.891 6.887 -0.739 1.00 0.59 C ATOM 1735 O VAL A 116 3.215 7.911 -0.838 1.00 0.54 O ATOM 1736 CB VAL A 116 4.648 7.048 1.727 1.00 0.45 C ATOM 1737 CG1 VAL A 116 4.011 8.412 2.017 1.00 0.51 C ATOM 1738 CG2 VAL A 116 3.686 5.952 2.179 1.00 0.62 C ATOM 0 H VAL A 116 5.745 8.762 0.093 1.00 0.49 H new ATOM 0 HA VAL A 116 5.448 5.804 0.237 1.00 0.49 H new ATOM 0 HB VAL A 116 5.584 7.021 2.285 1.00 0.45 H new ATOM 0 HG11 VAL A 116 3.764 8.480 3.076 1.00 0.51 H new ATOM 0 HG12 VAL A 116 4.713 9.204 1.756 1.00 0.51 H new ATOM 0 HG13 VAL A 116 3.103 8.523 1.425 1.00 0.51 H new ATOM 0 HG21 VAL A 116 3.406 6.120 3.219 1.00 0.62 H new ATOM 0 HG22 VAL A 116 2.792 5.972 1.555 1.00 0.62 H new ATOM 0 HG23 VAL A 116 4.172 4.981 2.086 1.00 0.62 H new ATOM 1748 N GLU A 117 3.696 5.815 -1.509 1.00 0.77 N ATOM 1749 CA GLU A 117 2.570 5.677 -2.414 1.00 0.83 C ATOM 1750 C GLU A 117 1.503 4.906 -1.653 1.00 0.82 C ATOM 1751 O GLU A 117 1.597 3.682 -1.547 1.00 0.81 O ATOM 1752 CB GLU A 117 2.998 4.903 -3.674 1.00 0.88 C ATOM 1753 CG GLU A 117 3.029 5.787 -4.919 1.00 1.13 C ATOM 1754 CD GLU A 117 3.221 5.001 -6.211 1.00 1.94 C ATOM 1755 OE1 GLU A 117 3.127 3.752 -6.154 1.00 2.42 O ATOM 1756 OE2 GLU A 117 3.452 5.677 -7.236 1.00 3.33 O ATOM 0 H GLU A 117 4.326 5.013 -1.517 1.00 0.77 H new ATOM 0 HA GLU A 117 2.196 6.648 -2.738 1.00 0.83 H new ATOM 0 HB2 GLU A 117 3.986 4.471 -3.514 1.00 0.88 H new ATOM 0 HB3 GLU A 117 2.311 4.073 -3.838 1.00 0.88 H new ATOM 0 HG2 GLU A 117 2.098 6.351 -4.979 1.00 1.13 H new ATOM 0 HG3 GLU A 117 3.836 6.514 -4.820 1.00 1.13 H new ATOM 1763 N TYR A 118 0.513 5.603 -1.094 1.00 0.86 N ATOM 1764 CA TYR A 118 -0.455 4.962 -0.215 1.00 0.87 C ATOM 1765 C TYR A 118 -1.820 5.612 -0.304 1.00 0.91 C ATOM 1766 O TYR A 118 -1.982 6.656 -0.935 1.00 0.98 O ATOM 1767 CB TYR A 118 0.039 4.968 1.236 1.00 0.81 C ATOM 1768 CG TYR A 118 -0.211 6.246 2.013 1.00 0.75 C ATOM 1769 CD1 TYR A 118 0.288 7.481 1.558 1.00 2.33 C ATOM 1770 CD2 TYR A 118 -0.994 6.199 3.179 1.00 1.59 C ATOM 1771 CE1 TYR A 118 0.014 8.658 2.274 1.00 2.28 C ATOM 1772 CE2 TYR A 118 -1.247 7.372 3.906 1.00 1.62 C ATOM 1773 CZ TYR A 118 -0.749 8.603 3.454 1.00 0.69 C ATOM 1774 OH TYR A 118 -0.979 9.732 4.183 1.00 0.70 O ATOM 0 H TYR A 118 0.364 6.602 -1.235 1.00 0.86 H new ATOM 0 HA TYR A 118 -0.556 3.930 -0.551 1.00 0.87 H new ATOM 0 HB2 TYR A 118 -0.438 4.144 1.766 1.00 0.81 H new ATOM 0 HB3 TYR A 118 1.111 4.769 1.236 1.00 0.81 H new ATOM 0 HD1 TYR A 118 0.882 7.524 0.657 1.00 2.33 H new ATOM 0 HD2 TYR A 118 -1.402 5.258 3.516 1.00 1.59 H new ATOM 0 HE1 TYR A 118 0.390 9.606 1.918 1.00 2.28 H new ATOM 0 HE2 TYR A 118 -1.827 7.327 4.816 1.00 1.62 H new ATOM 0 HH TYR A 118 -0.993 10.509 3.587 1.00 0.70 H new ATOM 1784 N ASN A 119 -2.802 4.935 0.292 1.00 0.87 N ATOM 1785 CA ASN A 119 -4.198 5.317 0.249 1.00 0.87 C ATOM 1786 C ASN A 119 -4.515 6.108 1.513 1.00 0.79 C ATOM 1787 O ASN A 119 -4.611 5.513 2.588 1.00 0.84 O ATOM 1788 CB ASN A 119 -5.053 4.052 0.126 1.00 1.01 C ATOM 1789 CG ASN A 119 -6.393 4.362 -0.528 1.00 1.32 C ATOM 1790 OD1 ASN A 119 -7.108 5.266 -0.107 1.00 1.46 O ATOM 1791 ND2 ASN A 119 -6.701 3.628 -1.599 1.00 2.47 N ATOM 0 H ASN A 119 -2.635 4.085 0.830 1.00 0.87 H new ATOM 0 HA ASN A 119 -4.417 5.948 -0.612 1.00 0.87 H new ATOM 0 HB2 ASN A 119 -4.521 3.305 -0.463 1.00 1.01 H new ATOM 0 HB3 ASN A 119 -5.217 3.622 1.114 1.00 1.01 H new ATOM 0 HD21 ASN A 119 -7.566 3.808 -2.109 1.00 2.47 H new ATOM 0 HD22 ASN A 119 -6.071 2.887 -1.908 1.00 2.47 H new ATOM 1798 N PRO A 120 -4.685 7.439 1.439 1.00 0.71 N ATOM 1799 CA PRO A 120 -4.851 8.272 2.617 1.00 0.67 C ATOM 1800 C PRO A 120 -6.312 8.230 3.076 1.00 0.78 C ATOM 1801 O PRO A 120 -6.910 9.266 3.367 1.00 1.14 O ATOM 1802 CB PRO A 120 -4.418 9.666 2.156 1.00 0.68 C ATOM 1803 CG PRO A 120 -4.956 9.692 0.729 1.00 0.72 C ATOM 1804 CD PRO A 120 -4.705 8.263 0.244 1.00 0.70 C ATOM 0 HA PRO A 120 -4.264 7.945 3.475 1.00 0.67 H new ATOM 0 HB2 PRO A 120 -4.850 10.455 2.772 1.00 0.68 H new ATOM 0 HB3 PRO A 120 -3.336 9.792 2.189 1.00 0.68 H new ATOM 0 HG2 PRO A 120 -6.015 9.948 0.701 1.00 0.72 H new ATOM 0 HG3 PRO A 120 -4.434 10.425 0.114 1.00 0.72 H new ATOM 0 HD2 PRO A 120 -5.488 7.939 -0.441 1.00 0.70 H new ATOM 0 HD3 PRO A 120 -3.760 8.193 -0.295 1.00 0.70 H new ATOM 1812 N LYS A 121 -6.912 7.037 3.066 1.00 0.77 N ATOM 1813 CA LYS A 121 -8.240 6.767 3.579 1.00 0.85 C ATOM 1814 C LYS A 121 -8.102 5.671 4.628 1.00 0.81 C ATOM 1815 O LYS A 121 -8.391 5.903 5.800 1.00 0.91 O ATOM 1816 CB LYS A 121 -9.154 6.365 2.417 1.00 1.04 C ATOM 1817 CG LYS A 121 -9.132 7.408 1.294 1.00 1.88 C ATOM 1818 CD LYS A 121 -9.847 8.696 1.730 1.00 2.87 C ATOM 1819 CE LYS A 121 -9.986 9.708 0.588 1.00 4.30 C ATOM 1820 NZ LYS A 121 -8.671 10.128 0.062 1.00 5.63 N ATOM 0 H LYS A 121 -6.461 6.206 2.683 1.00 0.77 H new ATOM 0 HA LYS A 121 -8.692 7.642 4.045 1.00 0.85 H new ATOM 0 HB2 LYS A 121 -8.839 5.399 2.023 1.00 1.04 H new ATOM 0 HB3 LYS A 121 -10.174 6.243 2.781 1.00 1.04 H new ATOM 0 HG2 LYS A 121 -8.101 7.634 1.022 1.00 1.88 H new ATOM 0 HG3 LYS A 121 -9.615 7.002 0.405 1.00 1.88 H new ATOM 0 HD2 LYS A 121 -10.837 8.446 2.112 1.00 2.87 H new ATOM 0 HD3 LYS A 121 -9.295 9.154 2.551 1.00 2.87 H new ATOM 0 HE2 LYS A 121 -10.576 9.269 -0.217 1.00 4.30 H new ATOM 0 HE3 LYS A 121 -10.532 10.583 0.942 1.00 4.30 H new ATOM 0 HZ1 LYS A 121 -8.806 10.850 -0.674 1.00 5.63 H new ATOM 0 HZ2 LYS A 121 -8.098 10.524 0.835 1.00 5.63 H new ATOM 0 HZ3 LYS A 121 -8.181 9.306 -0.346 1.00 5.63 H new ATOM 1834 N GLU A 122 -7.604 4.501 4.218 1.00 0.81 N ATOM 1835 CA GLU A 122 -7.216 3.444 5.133 1.00 0.77 C ATOM 1836 C GLU A 122 -6.220 3.960 6.185 1.00 0.75 C ATOM 1837 O GLU A 122 -6.404 3.703 7.372 1.00 0.77 O ATOM 1838 CB GLU A 122 -6.644 2.262 4.335 1.00 0.79 C ATOM 1839 CG GLU A 122 -7.728 1.391 3.675 1.00 1.06 C ATOM 1840 CD GLU A 122 -8.492 2.068 2.545 1.00 2.40 C ATOM 1841 OE1 GLU A 122 -7.903 2.992 1.934 1.00 3.72 O ATOM 1842 OE2 GLU A 122 -9.631 1.618 2.284 1.00 2.97 O ATOM 0 H GLU A 122 -7.461 4.267 3.235 1.00 0.81 H new ATOM 0 HA GLU A 122 -8.095 3.100 5.677 1.00 0.77 H new ATOM 0 HB2 GLU A 122 -5.975 2.643 3.564 1.00 0.79 H new ATOM 0 HB3 GLU A 122 -6.043 1.641 4.999 1.00 0.79 H new ATOM 0 HG2 GLU A 122 -7.260 0.486 3.287 1.00 1.06 H new ATOM 0 HG3 GLU A 122 -8.439 1.080 4.440 1.00 1.06 H new ATOM 1849 N ALA A 123 -5.172 4.682 5.764 1.00 0.75 N ATOM 1850 CA ALA A 123 -4.146 5.215 6.661 1.00 0.76 C ATOM 1851 C ALA A 123 -4.023 6.733 6.486 1.00 0.69 C ATOM 1852 O ALA A 123 -4.788 7.336 5.733 1.00 0.65 O ATOM 1853 CB ALA A 123 -2.828 4.475 6.407 1.00 0.81 C ATOM 0 H ALA A 123 -5.015 4.912 4.783 1.00 0.75 H new ATOM 0 HA ALA A 123 -4.425 5.048 7.702 1.00 0.76 H new ATOM 0 HB1 ALA A 123 -2.057 4.866 7.071 1.00 0.81 H new ATOM 0 HB2 ALA A 123 -2.966 3.411 6.598 1.00 0.81 H new ATOM 0 HB3 ALA A 123 -2.522 4.621 5.371 1.00 0.81 H new ATOM 1859 N SER A 124 -3.084 7.375 7.193 1.00 0.71 N ATOM 1860 CA SER A 124 -2.849 8.819 7.168 1.00 0.64 C ATOM 1861 C SER A 124 -1.481 9.133 7.783 1.00 0.55 C ATOM 1862 O SER A 124 -0.877 8.278 8.425 1.00 0.57 O ATOM 1863 CB SER A 124 -3.961 9.547 7.942 1.00 0.71 C ATOM 1864 OG SER A 124 -5.146 9.633 7.179 1.00 2.45 O ATOM 0 H SER A 124 -2.446 6.883 7.819 1.00 0.71 H new ATOM 0 HA SER A 124 -2.859 9.165 6.134 1.00 0.64 H new ATOM 0 HB2 SER A 124 -4.164 9.019 8.874 1.00 0.71 H new ATOM 0 HB3 SER A 124 -3.625 10.549 8.210 1.00 0.71 H new ATOM 0 HG SER A 124 -5.201 8.866 6.572 1.00 2.45 H new ATOM 1870 N VAL A 125 -1.021 10.379 7.631 1.00 0.53 N ATOM 1871 CA VAL A 125 0.232 10.911 8.170 1.00 0.57 C ATOM 1872 C VAL A 125 0.565 10.348 9.558 1.00 0.50 C ATOM 1873 O VAL A 125 1.688 9.914 9.804 1.00 0.56 O ATOM 1874 CB VAL A 125 0.153 12.453 8.233 1.00 0.72 C ATOM 1875 CG1 VAL A 125 1.486 13.055 8.691 1.00 1.55 C ATOM 1876 CG2 VAL A 125 -0.247 13.093 6.894 1.00 1.36 C ATOM 0 H VAL A 125 -1.540 11.079 7.101 1.00 0.53 H new ATOM 0 HA VAL A 125 1.033 10.600 7.500 1.00 0.57 H new ATOM 0 HB VAL A 125 -0.629 12.676 8.959 1.00 0.72 H new ATOM 0 HG11 VAL A 125 1.402 14.141 8.726 1.00 1.55 H new ATOM 0 HG12 VAL A 125 1.734 12.678 9.683 1.00 1.55 H new ATOM 0 HG13 VAL A 125 2.272 12.775 7.990 1.00 1.55 H new ATOM 0 HG21 VAL A 125 -0.284 14.177 7.005 1.00 1.36 H new ATOM 0 HG22 VAL A 125 0.487 12.832 6.132 1.00 1.36 H new ATOM 0 HG23 VAL A 125 -1.228 12.725 6.594 1.00 1.36 H new ATOM 1886 N SER A 126 -0.393 10.382 10.483 1.00 0.48 N ATOM 1887 CA SER A 126 -0.143 9.938 11.848 1.00 0.52 C ATOM 1888 C SER A 126 0.262 8.462 11.913 1.00 0.55 C ATOM 1889 O SER A 126 1.164 8.130 12.679 1.00 0.60 O ATOM 1890 CB SER A 126 -1.342 10.248 12.744 1.00 0.55 C ATOM 1891 OG SER A 126 -1.519 11.652 12.808 1.00 0.79 O ATOM 0 H SER A 126 -1.343 10.711 10.311 1.00 0.48 H new ATOM 0 HA SER A 126 0.710 10.500 12.228 1.00 0.52 H new ATOM 0 HB2 SER A 126 -2.240 9.773 12.349 1.00 0.55 H new ATOM 0 HB3 SER A 126 -1.180 9.843 13.743 1.00 0.55 H new ATOM 0 HG SER A 126 -2.288 11.859 13.380 1.00 0.79 H new ATOM 1897 N ASP A 127 -0.360 7.595 11.105 1.00 0.55 N ATOM 1898 CA ASP A 127 0.035 6.190 11.015 1.00 0.64 C ATOM 1899 C ASP A 127 1.495 6.106 10.583 1.00 0.66 C ATOM 1900 O ASP A 127 2.305 5.425 11.198 1.00 0.73 O ATOM 1901 CB ASP A 127 -0.858 5.444 10.014 1.00 0.69 C ATOM 1902 CG ASP A 127 -0.235 4.111 9.623 1.00 1.19 C ATOM 1903 OD1 ASP A 127 -0.293 3.191 10.462 1.00 1.72 O ATOM 1904 OD2 ASP A 127 0.313 4.058 8.501 1.00 2.75 O ATOM 0 H ASP A 127 -1.143 7.847 10.502 1.00 0.55 H new ATOM 0 HA ASP A 127 -0.083 5.721 11.992 1.00 0.64 H new ATOM 0 HB2 ASP A 127 -1.842 5.276 10.452 1.00 0.69 H new ATOM 0 HB3 ASP A 127 -1.006 6.057 9.125 1.00 0.69 H new ATOM 1909 N LEU A 128 1.835 6.855 9.538 1.00 0.63 N ATOM 1910 CA LEU A 128 3.162 6.846 8.946 1.00 0.70 C ATOM 1911 C LEU A 128 4.205 7.285 9.975 1.00 0.67 C ATOM 1912 O LEU A 128 5.242 6.639 10.148 1.00 0.72 O ATOM 1913 CB LEU A 128 3.153 7.726 7.696 1.00 0.73 C ATOM 1914 CG LEU A 128 2.279 7.114 6.587 1.00 0.79 C ATOM 1915 CD1 LEU A 128 2.134 8.158 5.484 1.00 0.93 C ATOM 1916 CD2 LEU A 128 2.900 5.850 5.981 1.00 0.98 C ATOM 0 H LEU A 128 1.186 7.492 9.075 1.00 0.63 H new ATOM 0 HA LEU A 128 3.438 5.836 8.641 1.00 0.70 H new ATOM 0 HB2 LEU A 128 2.780 8.718 7.950 1.00 0.73 H new ATOM 0 HB3 LEU A 128 4.172 7.853 7.331 1.00 0.73 H new ATOM 0 HG LEU A 128 1.320 6.833 7.021 1.00 0.79 H new ATOM 0 HD11 LEU A 128 1.518 7.755 4.680 1.00 0.93 H new ATOM 0 HD12 LEU A 128 1.661 9.052 5.890 1.00 0.93 H new ATOM 0 HD13 LEU A 128 3.119 8.414 5.093 1.00 0.93 H new ATOM 0 HD21 LEU A 128 2.243 5.459 5.204 1.00 0.98 H new ATOM 0 HD22 LEU A 128 3.870 6.093 5.548 1.00 0.98 H new ATOM 0 HD23 LEU A 128 3.029 5.098 6.760 1.00 0.98 H new ATOM 1928 N LYS A 129 3.913 8.371 10.692 1.00 0.61 N ATOM 1929 CA LYS A 129 4.739 8.798 11.807 1.00 0.61 C ATOM 1930 C LYS A 129 4.857 7.678 12.852 1.00 0.67 C ATOM 1931 O LYS A 129 5.976 7.309 13.201 1.00 0.74 O ATOM 1932 CB LYS A 129 4.215 10.124 12.380 1.00 0.61 C ATOM 1933 CG LYS A 129 4.378 11.256 11.349 1.00 0.63 C ATOM 1934 CD LYS A 129 4.334 12.686 11.912 1.00 0.77 C ATOM 1935 CE LYS A 129 3.019 13.099 12.593 1.00 2.29 C ATOM 1936 NZ LYS A 129 2.824 12.468 13.914 1.00 3.00 N ATOM 0 H LYS A 129 3.106 8.969 10.514 1.00 0.61 H new ATOM 0 HA LYS A 129 5.754 8.993 11.460 1.00 0.61 H new ATOM 0 HB2 LYS A 129 3.165 10.020 12.652 1.00 0.61 H new ATOM 0 HB3 LYS A 129 4.758 10.373 13.292 1.00 0.61 H new ATOM 0 HG2 LYS A 129 5.328 11.118 10.833 1.00 0.63 H new ATOM 0 HG3 LYS A 129 3.592 11.156 10.601 1.00 0.63 H new ATOM 0 HD2 LYS A 129 5.144 12.797 12.632 1.00 0.77 H new ATOM 0 HD3 LYS A 129 4.533 13.383 11.098 1.00 0.77 H new ATOM 0 HE2 LYS A 129 3.002 14.183 12.709 1.00 2.29 H new ATOM 0 HE3 LYS A 129 2.183 12.835 11.945 1.00 2.29 H new ATOM 0 HZ1 LYS A 129 2.562 13.195 14.610 1.00 3.00 H new ATOM 0 HZ2 LYS A 129 2.066 11.759 13.851 1.00 3.00 H new ATOM 0 HZ3 LYS A 129 3.707 12.006 14.212 1.00 3.00 H new ATOM 1950 N GLU A 130 3.736 7.113 13.322 1.00 0.66 N ATOM 1951 CA GLU A 130 3.741 6.051 14.329 1.00 0.72 C ATOM 1952 C GLU A 130 4.602 4.873 13.869 1.00 0.75 C ATOM 1953 O GLU A 130 5.377 4.307 14.637 1.00 0.81 O ATOM 1954 CB GLU A 130 2.292 5.610 14.596 1.00 0.82 C ATOM 1955 CG GLU A 130 2.060 4.964 15.967 1.00 1.39 C ATOM 1956 CD GLU A 130 2.490 3.505 16.084 1.00 2.38 C ATOM 1957 OE1 GLU A 130 1.985 2.667 15.304 1.00 3.74 O ATOM 1958 OE2 GLU A 130 3.271 3.208 17.009 1.00 2.61 O ATOM 0 H GLU A 130 2.802 7.382 13.013 1.00 0.66 H new ATOM 0 HA GLU A 130 4.176 6.427 15.255 1.00 0.72 H new ATOM 0 HB2 GLU A 130 1.640 6.478 14.504 1.00 0.82 H new ATOM 0 HB3 GLU A 130 1.993 4.903 13.822 1.00 0.82 H new ATOM 0 HG2 GLU A 130 2.595 5.544 16.718 1.00 1.39 H new ATOM 0 HG3 GLU A 130 0.999 5.033 16.207 1.00 1.39 H new ATOM 1965 N ALA A 131 4.487 4.517 12.590 1.00 0.76 N ATOM 1966 CA ALA A 131 5.204 3.403 12.013 1.00 0.81 C ATOM 1967 C ALA A 131 6.704 3.637 12.162 1.00 0.71 C ATOM 1968 O ALA A 131 7.420 2.788 12.690 1.00 0.78 O ATOM 1969 CB ALA A 131 4.781 3.207 10.556 1.00 0.86 C ATOM 0 H ALA A 131 3.885 5.005 11.927 1.00 0.76 H new ATOM 0 HA ALA A 131 4.960 2.481 12.540 1.00 0.81 H new ATOM 0 HB1 ALA A 131 5.326 2.365 10.129 1.00 0.86 H new ATOM 0 HB2 ALA A 131 3.711 3.006 10.512 1.00 0.86 H new ATOM 0 HB3 ALA A 131 5.004 4.110 9.988 1.00 0.86 H new ATOM 1975 N VAL A 132 7.212 4.792 11.723 1.00 0.58 N ATOM 1976 CA VAL A 132 8.636 5.028 11.854 1.00 0.48 C ATOM 1977 C VAL A 132 9.043 5.239 13.315 1.00 0.51 C ATOM 1978 O VAL A 132 10.173 4.910 13.693 1.00 0.52 O ATOM 1979 CB VAL A 132 9.025 6.167 10.927 1.00 0.51 C ATOM 1980 CG1 VAL A 132 10.513 6.493 11.096 1.00 1.75 C ATOM 1981 CG2 VAL A 132 8.717 5.719 9.490 1.00 1.32 C ATOM 0 H VAL A 132 6.677 5.546 11.292 1.00 0.58 H new ATOM 0 HA VAL A 132 9.197 4.146 11.545 1.00 0.48 H new ATOM 0 HB VAL A 132 8.464 7.071 11.161 1.00 0.51 H new ATOM 0 HG11 VAL A 132 10.784 7.311 10.428 1.00 1.75 H new ATOM 0 HG12 VAL A 132 10.706 6.788 12.127 1.00 1.75 H new ATOM 0 HG13 VAL A 132 11.108 5.613 10.853 1.00 1.75 H new ATOM 0 HG21 VAL A 132 8.985 6.515 8.795 1.00 1.32 H new ATOM 0 HG22 VAL A 132 9.294 4.824 9.256 1.00 1.32 H new ATOM 0 HG23 VAL A 132 7.653 5.499 9.397 1.00 1.32 H new ATOM 1991 N ASP A 133 8.126 5.742 14.145 1.00 0.59 N ATOM 1992 CA ASP A 133 8.361 5.824 15.576 1.00 0.73 C ATOM 1993 C ASP A 133 8.672 4.424 16.117 1.00 0.82 C ATOM 1994 O ASP A 133 9.724 4.200 16.708 1.00 0.91 O ATOM 1995 CB ASP A 133 7.173 6.483 16.287 1.00 0.83 C ATOM 1996 CG ASP A 133 7.625 7.207 17.547 1.00 1.68 C ATOM 1997 OD1 ASP A 133 8.150 6.516 18.443 1.00 3.00 O ATOM 1998 OD2 ASP A 133 7.443 8.444 17.584 1.00 1.93 O ATOM 0 H ASP A 133 7.218 6.096 13.845 1.00 0.59 H new ATOM 0 HA ASP A 133 9.224 6.459 15.774 1.00 0.73 H new ATOM 0 HB2 ASP A 133 6.687 7.188 15.613 1.00 0.83 H new ATOM 0 HB3 ASP A 133 6.433 5.725 16.544 1.00 0.83 H new ATOM 2003 N LYS A 134 7.817 3.446 15.797 1.00 0.84 N ATOM 2004 CA LYS A 134 8.058 2.031 16.068 1.00 0.98 C ATOM 2005 C LYS A 134 9.422 1.558 15.546 1.00 0.87 C ATOM 2006 O LYS A 134 10.128 0.844 16.257 1.00 0.94 O ATOM 2007 CB LYS A 134 6.928 1.171 15.487 1.00 1.11 C ATOM 2008 CG LYS A 134 5.737 1.059 16.440 1.00 1.45 C ATOM 2009 CD LYS A 134 4.555 0.453 15.677 1.00 2.24 C ATOM 2010 CE LYS A 134 3.403 0.088 16.621 1.00 2.80 C ATOM 2011 NZ LYS A 134 2.113 0.098 15.906 1.00 3.94 N ATOM 0 H LYS A 134 6.925 3.622 15.335 1.00 0.84 H new ATOM 0 HA LYS A 134 8.074 1.911 17.151 1.00 0.98 H new ATOM 0 HB2 LYS A 134 6.596 1.601 14.542 1.00 1.11 H new ATOM 0 HB3 LYS A 134 7.309 0.174 15.267 1.00 1.11 H new ATOM 0 HG2 LYS A 134 5.995 0.435 17.296 1.00 1.45 H new ATOM 0 HG3 LYS A 134 5.471 2.041 16.830 1.00 1.45 H new ATOM 0 HD2 LYS A 134 4.202 1.162 14.928 1.00 2.24 H new ATOM 0 HD3 LYS A 134 4.884 -0.438 15.142 1.00 2.24 H new ATOM 0 HE2 LYS A 134 3.578 -0.899 17.050 1.00 2.80 H new ATOM 0 HE3 LYS A 134 3.369 0.795 17.450 1.00 2.80 H new ATOM 0 HZ1 LYS A 134 1.407 -0.432 16.456 1.00 3.94 H new ATOM 0 HZ2 LYS A 134 1.791 1.079 15.784 1.00 3.94 H new ATOM 0 HZ3 LYS A 134 2.230 -0.346 14.973 1.00 3.94 H new ATOM 2025 N LEU A 135 9.809 1.915 14.313 1.00 0.79 N ATOM 2026 CA LEU A 135 11.148 1.568 13.820 1.00 0.73 C ATOM 2027 C LEU A 135 12.256 2.248 14.639 1.00 0.76 C ATOM 2028 O LEU A 135 13.384 1.752 14.661 1.00 0.85 O ATOM 2029 CB LEU A 135 11.337 1.889 12.326 1.00 0.63 C ATOM 2030 CG LEU A 135 10.777 0.865 11.323 1.00 0.66 C ATOM 2031 CD1 LEU A 135 11.339 -0.545 11.536 1.00 0.79 C ATOM 2032 CD2 LEU A 135 9.249 0.853 11.304 1.00 1.10 C ATOM 0 H LEU A 135 9.229 2.432 13.652 1.00 0.79 H new ATOM 0 HA LEU A 135 11.231 0.488 13.944 1.00 0.73 H new ATOM 0 HB2 LEU A 135 10.871 2.853 12.124 1.00 0.63 H new ATOM 0 HB3 LEU A 135 12.404 2.004 12.135 1.00 0.63 H new ATOM 0 HG LEU A 135 11.117 1.196 10.342 1.00 0.66 H new ATOM 0 HD11 LEU A 135 10.908 -1.224 10.800 1.00 0.79 H new ATOM 0 HD12 LEU A 135 12.423 -0.526 11.421 1.00 0.79 H new ATOM 0 HD13 LEU A 135 11.086 -0.890 12.539 1.00 0.79 H new ATOM 0 HD21 LEU A 135 8.900 0.115 10.582 1.00 1.10 H new ATOM 0 HD22 LEU A 135 8.875 0.596 12.295 1.00 1.10 H new ATOM 0 HD23 LEU A 135 8.881 1.839 11.022 1.00 1.10 H new ATOM 2044 N GLY A 136 11.952 3.370 15.295 1.00 0.77 N ATOM 2045 CA GLY A 136 12.853 4.058 16.205 1.00 0.88 C ATOM 2046 C GLY A 136 13.599 5.191 15.508 1.00 0.82 C ATOM 2047 O GLY A 136 14.759 5.444 15.829 1.00 0.95 O ATOM 0 H GLY A 136 11.048 3.832 15.201 1.00 0.77 H new ATOM 0 HA2 GLY A 136 12.286 4.458 17.046 1.00 0.88 H new ATOM 0 HA3 GLY A 136 13.571 3.347 16.614 1.00 0.88 H new ATOM 2051 N TYR A 137 12.940 5.886 14.576 1.00 0.71 N ATOM 2052 CA TYR A 137 13.473 7.089 13.934 1.00 0.74 C ATOM 2053 C TYR A 137 12.409 8.182 14.015 1.00 0.76 C ATOM 2054 O TYR A 137 11.467 8.029 14.790 1.00 0.85 O ATOM 2055 CB TYR A 137 13.898 6.767 12.496 1.00 0.65 C ATOM 2056 CG TYR A 137 14.708 5.491 12.365 1.00 0.64 C ATOM 2057 CD1 TYR A 137 15.943 5.378 13.025 1.00 1.81 C ATOM 2058 CD2 TYR A 137 14.184 4.379 11.678 1.00 1.80 C ATOM 2059 CE1 TYR A 137 16.606 4.141 13.073 1.00 1.78 C ATOM 2060 CE2 TYR A 137 14.892 3.165 11.657 1.00 1.85 C ATOM 2061 CZ TYR A 137 16.067 3.023 12.412 1.00 0.71 C ATOM 2062 OH TYR A 137 16.754 1.842 12.388 1.00 0.81 O ATOM 0 H TYR A 137 12.012 5.626 14.243 1.00 0.71 H new ATOM 0 HA TYR A 137 14.367 7.450 14.443 1.00 0.74 H new ATOM 0 HB2 TYR A 137 13.007 6.685 11.874 1.00 0.65 H new ATOM 0 HB3 TYR A 137 14.484 7.599 12.106 1.00 0.65 H new ATOM 0 HD1 TYR A 137 16.383 6.244 13.496 1.00 1.81 H new ATOM 0 HD2 TYR A 137 13.236 4.459 11.166 1.00 1.80 H new ATOM 0 HE1 TYR A 137 17.533 4.048 13.619 1.00 1.78 H new ATOM 0 HE2 TYR A 137 14.532 2.341 11.059 1.00 1.85 H new ATOM 0 HH TYR A 137 17.298 1.764 13.199 1.00 0.81 H new ATOM 2072 N LYS A 138 12.515 9.273 13.241 1.00 0.77 N ATOM 2073 CA LYS A 138 11.433 10.240 13.174 1.00 0.83 C ATOM 2074 C LYS A 138 11.174 10.543 11.698 1.00 0.79 C ATOM 2075 O LYS A 138 12.099 10.850 10.944 1.00 0.75 O ATOM 2076 CB LYS A 138 11.695 11.467 14.060 1.00 0.95 C ATOM 2077 CG LYS A 138 13.053 12.110 13.795 1.00 1.16 C ATOM 2078 CD LYS A 138 14.214 11.655 14.686 1.00 2.21 C ATOM 2079 CE LYS A 138 14.080 12.041 16.165 1.00 3.40 C ATOM 2080 NZ LYS A 138 15.303 11.697 16.921 1.00 4.32 N ATOM 0 H LYS A 138 13.327 9.497 12.666 1.00 0.77 H new ATOM 0 HA LYS A 138 10.514 9.832 13.596 1.00 0.83 H new ATOM 0 HB2 LYS A 138 10.910 12.205 13.892 1.00 0.95 H new ATOM 0 HB3 LYS A 138 11.636 11.172 15.108 1.00 0.95 H new ATOM 0 HG2 LYS A 138 13.324 11.917 12.757 1.00 1.16 H new ATOM 0 HG3 LYS A 138 12.945 13.189 13.901 1.00 1.16 H new ATOM 0 HD2 LYS A 138 14.305 10.571 14.615 1.00 2.21 H new ATOM 0 HD3 LYS A 138 15.140 12.079 14.297 1.00 2.21 H new ATOM 0 HE2 LYS A 138 13.887 13.111 16.248 1.00 3.40 H new ATOM 0 HE3 LYS A 138 13.223 11.527 16.601 1.00 3.40 H new ATOM 0 HZ1 LYS A 138 15.183 11.969 17.918 1.00 4.32 H new ATOM 0 HZ2 LYS A 138 15.472 10.673 16.860 1.00 4.32 H new ATOM 0 HZ3 LYS A 138 16.115 12.207 16.518 1.00 4.32 H new ATOM 2094 N LEU A 139 9.916 10.378 11.288 1.00 0.92 N ATOM 2095 CA LEU A 139 9.475 10.548 9.919 1.00 1.03 C ATOM 2096 C LEU A 139 8.680 11.846 9.845 1.00 1.20 C ATOM 2097 O LEU A 139 7.818 12.088 10.693 1.00 1.50 O ATOM 2098 CB LEU A 139 8.657 9.319 9.514 1.00 1.41 C ATOM 2099 CG LEU A 139 8.418 9.259 8.007 1.00 0.56 C ATOM 2100 CD1 LEU A 139 9.622 8.756 7.203 1.00 2.17 C ATOM 2101 CD2 LEU A 139 7.150 8.490 7.658 1.00 2.54 C ATOM 0 H LEU A 139 9.162 10.115 11.922 1.00 0.92 H new ATOM 0 HA LEU A 139 10.307 10.624 9.219 1.00 1.03 H new ATOM 0 HB2 LEU A 139 9.177 8.416 9.834 1.00 1.41 H new ATOM 0 HB3 LEU A 139 7.698 9.335 10.032 1.00 1.41 H new ATOM 0 HG LEU A 139 8.275 10.296 7.702 1.00 0.56 H new ATOM 0 HD11 LEU A 139 9.371 8.743 6.142 1.00 2.17 H new ATOM 0 HD12 LEU A 139 10.472 9.419 7.367 1.00 2.17 H new ATOM 0 HD13 LEU A 139 9.881 7.748 7.527 1.00 2.17 H new ATOM 0 HD21 LEU A 139 7.021 8.473 6.576 1.00 2.54 H new ATOM 0 HD22 LEU A 139 7.230 7.468 8.030 1.00 2.54 H new ATOM 0 HD23 LEU A 139 6.291 8.977 8.119 1.00 2.54 H new ATOM 2113 N LYS A 140 8.998 12.692 8.867 1.00 1.10 N ATOM 2114 CA LYS A 140 8.392 14.006 8.687 1.00 1.25 C ATOM 2115 C LYS A 140 7.879 14.145 7.261 1.00 0.99 C ATOM 2116 O LYS A 140 8.030 13.229 6.462 1.00 0.89 O ATOM 2117 CB LYS A 140 9.405 15.106 9.014 1.00 1.51 C ATOM 2118 CG LYS A 140 9.836 15.033 10.480 1.00 1.93 C ATOM 2119 CD LYS A 140 10.350 16.410 10.912 1.00 2.02 C ATOM 2120 CE LYS A 140 10.883 16.352 12.347 1.00 3.18 C ATOM 2121 NZ LYS A 140 11.762 17.500 12.636 1.00 3.48 N ATOM 0 H LYS A 140 9.702 12.475 8.161 1.00 1.10 H new ATOM 0 HA LYS A 140 7.549 14.110 9.370 1.00 1.25 H new ATOM 0 HB2 LYS A 140 10.278 15.006 8.369 1.00 1.51 H new ATOM 0 HB3 LYS A 140 8.967 16.082 8.808 1.00 1.51 H new ATOM 0 HG2 LYS A 140 8.996 14.730 11.106 1.00 1.93 H new ATOM 0 HG3 LYS A 140 10.616 14.282 10.607 1.00 1.93 H new ATOM 0 HD2 LYS A 140 11.140 16.739 10.237 1.00 2.02 H new ATOM 0 HD3 LYS A 140 9.546 17.143 10.845 1.00 2.02 H new ATOM 0 HE2 LYS A 140 10.048 16.344 13.048 1.00 3.18 H new ATOM 0 HE3 LYS A 140 11.433 15.423 12.496 1.00 3.18 H new ATOM 0 HZ1 LYS A 140 11.602 17.823 13.611 1.00 3.48 H new ATOM 0 HZ2 LYS A 140 12.755 17.213 12.525 1.00 3.48 H new ATOM 0 HZ3 LYS A 140 11.550 18.275 11.976 1.00 3.48 H new ATOM 2135 N LEU A 141 7.246 15.275 6.948 1.00 0.93 N ATOM 2136 CA LEU A 141 6.703 15.564 5.635 1.00 0.74 C ATOM 2137 C LEU A 141 7.597 16.580 4.928 1.00 0.88 C ATOM 2138 O LEU A 141 8.141 17.473 5.577 1.00 1.18 O ATOM 2139 CB LEU A 141 5.276 16.092 5.772 1.00 0.78 C ATOM 2140 CG LEU A 141 4.372 15.116 6.547 1.00 1.07 C ATOM 2141 CD1 LEU A 141 4.309 15.455 8.045 1.00 1.15 C ATOM 2142 CD2 LEU A 141 2.957 15.171 5.971 1.00 1.90 C ATOM 0 H LEU A 141 7.097 16.027 7.620 1.00 0.93 H new ATOM 0 HA LEU A 141 6.674 14.653 5.038 1.00 0.74 H new ATOM 0 HB2 LEU A 141 5.293 17.054 6.284 1.00 0.78 H new ATOM 0 HB3 LEU A 141 4.857 16.265 4.781 1.00 0.78 H new ATOM 0 HG LEU A 141 4.797 14.118 6.441 1.00 1.07 H new ATOM 0 HD11 LEU A 141 3.660 14.741 8.553 1.00 1.15 H new ATOM 0 HD12 LEU A 141 5.310 15.403 8.472 1.00 1.15 H new ATOM 0 HD13 LEU A 141 3.911 16.462 8.174 1.00 1.15 H new ATOM 0 HD21 LEU A 141 2.315 14.481 6.518 1.00 1.90 H new ATOM 0 HD22 LEU A 141 2.565 16.184 6.065 1.00 1.90 H new ATOM 0 HD23 LEU A 141 2.981 14.888 4.919 1.00 1.90 H new ATOM 2154 N LYS A 142 7.713 16.495 3.600 1.00 0.80 N ATOM 2155 CA LYS A 142 8.430 17.511 2.847 1.00 1.06 C ATOM 2156 C LYS A 142 7.481 18.684 2.658 1.00 1.34 C ATOM 2157 O LYS A 142 6.663 18.684 1.743 1.00 1.47 O ATOM 2158 CB LYS A 142 8.865 16.989 1.476 1.00 0.98 C ATOM 2159 CG LYS A 142 10.043 16.020 1.584 1.00 1.07 C ATOM 2160 CD LYS A 142 10.430 15.550 0.181 1.00 1.08 C ATOM 2161 CE LYS A 142 11.454 16.400 -0.575 1.00 1.75 C ATOM 2162 NZ LYS A 142 11.783 15.738 -1.857 1.00 2.74 N ATOM 0 H LYS A 142 7.323 15.740 3.035 1.00 0.80 H new ATOM 0 HA LYS A 142 9.330 17.801 3.390 1.00 1.06 H new ATOM 0 HB2 LYS A 142 8.025 16.488 0.995 1.00 0.98 H new ATOM 0 HB3 LYS A 142 9.142 17.829 0.839 1.00 0.98 H new ATOM 0 HG2 LYS A 142 10.890 16.509 2.064 1.00 1.07 H new ATOM 0 HG3 LYS A 142 9.773 15.167 2.206 1.00 1.07 H new ATOM 0 HD2 LYS A 142 10.822 14.536 0.259 1.00 1.08 H new ATOM 0 HD3 LYS A 142 9.523 15.496 -0.421 1.00 1.08 H new ATOM 0 HE2 LYS A 142 11.053 17.397 -0.759 1.00 1.75 H new ATOM 0 HE3 LYS A 142 12.355 16.525 0.025 1.00 1.75 H new ATOM 0 HZ1 LYS A 142 12.637 16.172 -2.263 1.00 2.74 H new ATOM 0 HZ2 LYS A 142 11.954 14.726 -1.691 1.00 2.74 H new ATOM 0 HZ3 LYS A 142 10.989 15.851 -2.520 1.00 2.74 H new