USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 954 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 115 TYR OH : rot -171:sc= 1.6 USER MOD Set 1.2: A 153 THR OG1 : rot 127:sc= 1.01 USER MOD Set 2.1: A 125 THR OG1 : rot -173:sc= -0.0251 USER MOD Set 2.2: A 136 HIS : no HD1:sc= -0.217 K(o=-0.24,f=0.5) USER MOD Set 3.1: A 103 THR OG1 : rot 180:sc= -0.0924 USER MOD Set 3.2: A 121 THR OG1 : rot 180:sc= -0.316 USER MOD Set 4.1: A 40 HIS : no HD1:sc= 0.746 K(o=1.3,f=-7.5!) USER MOD Set 4.2: A 100 ASN : amide:sc= 0.549 K(o=1.3,f=-2.2!) USER MOD Single : A 25 LYS NZ :NH3+ -170:sc= 1.3 (180deg=1.23) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -109:sc= 0.00697 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -1.29 K(o=-1.3,f=0.34) USER MOD Single : A 70 THR OG1 : rot 30:sc= 0.118 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -2.39! K(o=-2.4!,f=-0.026) USER MOD Single : A 79 TYR OH : rot -29:sc= 0.052 USER MOD Single : A 81 HIS : no HE2:sc=-0.00179! C(o=-0.0018!,f=-6.8!) USER MOD Single : A 86 LYS NZ :NH3+ 151:sc= 1.16 (180deg=0.297) USER MOD Single : A 89 LYS NZ :NH3+ -164:sc= 0.785 (180deg=0.626) USER MOD Single : A 99 LYS NZ :NH3+ -159:sc= 1.17 (180deg=0.898) USER MOD Single : A 112 MET CE :methyl 142:sc= -1.35 (180deg=-5.93!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 1.11 K(o=1.1,f=-0.52) USER MOD Single : A 127 LYS NZ :NH3+ -160:sc= 1.19 (180deg=1.04) USER MOD Single : A 133 SER OG : rot -100:sc= 0.719 USER MOD Single : A 138 HIS : no HE2:sc= 0.549 K(o=2.3,f=-7.5!) USER MOD Single : A 141 TYR OH : rot 65:sc= 0.485 USER MOD Single : A 143 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0832) USER MOD Single : A 145 SER OG : rot 180:sc= -0.111 USER MOD Single : A 150 HIS : no HE2:sc= 1.09 K(o=1.1,f=-5.1!) USER MOD Single : A 156 GLN : amide:sc= -0.0346 X(o=-0.035,f=-0.035) USER MOD Single : A 158 CYS SG : rot -82:sc= -0.812! USER MOD Single : A 162 SER OG : rot 82:sc= 0.8 USER MOD Single : A 163 LYS NZ :NH3+ -168:sc= -0.0165 (180deg=-0.189) USER MOD Single : A 168 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 22 -6.081 -23.283 4.179 1.00 52.32 N ATOM 63 CA LEU A 22 -6.874 -22.100 3.802 1.00 51.23 C ATOM 64 C LEU A 22 -6.225 -20.745 4.130 1.00 13.15 C ATOM 65 O LEU A 22 -6.389 -19.792 3.399 1.00 44.51 O ATOM 66 CB LEU A 22 -8.289 -22.213 4.312 1.00 55.33 C ATOM 67 CG LEU A 22 -9.032 -23.461 3.821 1.00 11.14 C ATOM 68 CD1 LEU A 22 -10.356 -23.585 4.493 1.00 70.42 C ATOM 69 CD2 LEU A 22 -9.207 -23.434 2.303 1.00 71.32 C ATOM 0 HA LEU A 22 -6.904 -22.104 2.712 1.00 51.23 H new ATOM 0 HB2 LEU A 22 -8.272 -22.218 5.402 1.00 55.33 H new ATOM 0 HB3 LEU A 22 -8.846 -21.327 4.006 1.00 55.33 H new ATOM 0 HG LEU A 22 -8.429 -24.331 4.079 1.00 11.14 H new ATOM 0 HD11 LEU A 22 -10.866 -24.477 4.130 1.00 70.42 H new ATOM 0 HD12 LEU A 22 -10.211 -23.663 5.571 1.00 70.42 H new ATOM 0 HD13 LEU A 22 -10.961 -22.706 4.271 1.00 70.42 H new ATOM 0 HD21 LEU A 22 -9.737 -24.331 1.982 1.00 71.32 H new ATOM 0 HD22 LEU A 22 -9.781 -22.552 2.019 1.00 71.32 H new ATOM 0 HD23 LEU A 22 -8.228 -23.400 1.824 1.00 71.32 H new ATOM 81 N VAL A 23 -5.507 -20.663 5.198 1.00 2.12 N ATOM 82 CA VAL A 23 -4.792 -19.458 5.511 1.00 4.31 C ATOM 83 C VAL A 23 -3.481 -19.437 4.698 1.00 12.45 C ATOM 84 O VAL A 23 -2.853 -20.490 4.492 1.00 21.31 O ATOM 85 CB VAL A 23 -4.513 -19.344 7.037 1.00 13.43 C ATOM 86 CG1 VAL A 23 -3.658 -20.498 7.541 1.00 63.20 C ATOM 87 CG2 VAL A 23 -3.887 -18.007 7.382 1.00 62.55 C ATOM 0 H VAL A 23 -5.395 -21.416 5.877 1.00 2.12 H new ATOM 0 HA VAL A 23 -5.401 -18.595 5.240 1.00 4.31 H new ATOM 0 HB VAL A 23 -5.474 -19.405 7.547 1.00 13.43 H new ATOM 0 HG11 VAL A 23 -3.485 -20.382 8.611 1.00 63.20 H new ATOM 0 HG12 VAL A 23 -4.174 -21.440 7.356 1.00 63.20 H new ATOM 0 HG13 VAL A 23 -2.702 -20.499 7.017 1.00 63.20 H new ATOM 0 HG21 VAL A 23 -3.704 -17.957 8.455 1.00 62.55 H new ATOM 0 HG22 VAL A 23 -2.943 -17.898 6.847 1.00 62.55 H new ATOM 0 HG23 VAL A 23 -4.563 -17.203 7.092 1.00 62.55 H new ATOM 97 N GLY A 24 -3.100 -18.282 4.199 1.00 73.40 N ATOM 98 CA GLY A 24 -1.904 -18.201 3.415 1.00 41.54 C ATOM 99 C GLY A 24 -1.179 -16.896 3.588 1.00 62.14 C ATOM 100 O GLY A 24 -1.730 -15.926 4.123 1.00 14.05 O ATOM 0 H GLY A 24 -3.598 -17.401 4.324 1.00 73.40 H new ATOM 0 HA2 GLY A 24 -1.239 -19.020 3.690 1.00 41.54 H new ATOM 0 HA3 GLY A 24 -2.155 -18.335 2.363 1.00 41.54 H new ATOM 104 N LYS A 25 0.032 -16.866 3.114 1.00 43.30 N ATOM 105 CA LYS A 25 0.909 -15.731 3.233 1.00 51.21 C ATOM 106 C LYS A 25 1.590 -15.420 1.960 1.00 15.31 C ATOM 107 O LYS A 25 1.662 -16.250 1.056 1.00 60.04 O ATOM 108 CB LYS A 25 2.034 -15.953 4.202 1.00 70.24 C ATOM 109 CG LYS A 25 1.723 -15.980 5.659 1.00 24.33 C ATOM 110 CD LYS A 25 3.033 -16.070 6.430 1.00 13.34 C ATOM 111 CE LYS A 25 4.003 -14.931 6.029 1.00 1.25 C ATOM 112 NZ LYS A 25 5.282 -15.005 6.757 1.00 32.41 N ATOM 0 H LYS A 25 0.452 -17.652 2.619 1.00 43.30 H new ATOM 0 HA LYS A 25 0.246 -14.931 3.563 1.00 51.21 H new ATOM 0 HB2 LYS A 25 2.509 -16.900 3.947 1.00 70.24 H new ATOM 0 HB3 LYS A 25 2.774 -15.170 4.036 1.00 70.24 H new ATOM 0 HG2 LYS A 25 1.175 -15.083 5.946 1.00 24.33 H new ATOM 0 HG3 LYS A 25 1.085 -16.832 5.895 1.00 24.33 H new ATOM 0 HD2 LYS A 25 2.832 -16.019 7.500 1.00 13.34 H new ATOM 0 HD3 LYS A 25 3.503 -17.035 6.240 1.00 13.34 H new ATOM 0 HE2 LYS A 25 4.194 -14.980 4.957 1.00 1.25 H new ATOM 0 HE3 LYS A 25 3.531 -13.968 6.225 1.00 1.25 H new ATOM 0 HZ1 LYS A 25 5.829 -14.137 6.587 1.00 32.41 H new ATOM 0 HZ2 LYS A 25 5.096 -15.103 7.776 1.00 32.41 H new ATOM 0 HZ3 LYS A 25 5.824 -15.827 6.423 1.00 32.41 H new ATOM 126 N LEU A 26 2.037 -14.212 1.864 1.00 34.34 N ATOM 127 CA LEU A 26 2.962 -13.843 0.854 1.00 64.34 C ATOM 128 C LEU A 26 3.923 -12.849 1.440 1.00 71.21 C ATOM 129 O LEU A 26 3.517 -11.878 2.049 1.00 33.13 O ATOM 130 CB LEU A 26 2.311 -13.310 -0.401 1.00 63.32 C ATOM 131 CG LEU A 26 3.272 -12.919 -1.515 1.00 72.25 C ATOM 132 CD1 LEU A 26 4.049 -14.125 -2.029 1.00 4.43 C ATOM 133 CD2 LEU A 26 2.532 -12.250 -2.625 1.00 23.25 C ATOM 0 H LEU A 26 1.767 -13.452 2.489 1.00 34.34 H new ATOM 0 HA LEU A 26 3.489 -14.741 0.531 1.00 64.34 H new ATOM 0 HB2 LEU A 26 1.625 -14.065 -0.784 1.00 63.32 H new ATOM 0 HB3 LEU A 26 1.711 -12.439 -0.138 1.00 63.32 H new ATOM 0 HG LEU A 26 3.996 -12.215 -1.105 1.00 72.25 H new ATOM 0 HD11 LEU A 26 4.726 -13.810 -2.823 1.00 4.43 H new ATOM 0 HD12 LEU A 26 4.625 -14.561 -1.213 1.00 4.43 H new ATOM 0 HD13 LEU A 26 3.353 -14.867 -2.419 1.00 4.43 H new ATOM 0 HD21 LEU A 26 3.231 -11.976 -3.415 1.00 23.25 H new ATOM 0 HD22 LEU A 26 1.782 -12.932 -3.025 1.00 23.25 H new ATOM 0 HD23 LEU A 26 2.042 -11.353 -2.247 1.00 23.25 H new ATOM 145 N GLU A 27 5.171 -13.127 1.326 1.00 40.02 N ATOM 146 CA GLU A 27 6.169 -12.271 1.877 1.00 40.25 C ATOM 147 C GLU A 27 7.266 -12.073 0.833 1.00 51.22 C ATOM 148 O GLU A 27 7.788 -13.059 0.285 1.00 63.43 O ATOM 149 CB GLU A 27 6.660 -12.904 3.177 1.00 44.43 C ATOM 150 CG GLU A 27 7.478 -12.022 4.081 1.00 74.41 C ATOM 151 CD GLU A 27 7.648 -12.666 5.434 1.00 15.41 C ATOM 152 OE1 GLU A 27 6.673 -12.652 6.235 1.00 23.35 O ATOM 153 OE2 GLU A 27 8.712 -13.204 5.723 1.00 10.42 O ATOM 0 H GLU A 27 5.534 -13.953 0.849 1.00 40.02 H new ATOM 0 HA GLU A 27 5.788 -11.279 2.122 1.00 40.25 H new ATOM 0 HB2 GLU A 27 5.792 -13.255 3.735 1.00 44.43 H new ATOM 0 HB3 GLU A 27 7.255 -13.782 2.926 1.00 44.43 H new ATOM 0 HG2 GLU A 27 8.455 -11.839 3.634 1.00 74.41 H new ATOM 0 HG3 GLU A 27 6.991 -11.053 4.191 1.00 74.41 H new ATOM 160 N THR A 28 7.589 -10.836 0.524 1.00 71.32 N ATOM 161 CA THR A 28 8.557 -10.560 -0.519 1.00 12.30 C ATOM 162 C THR A 28 9.319 -9.249 -0.226 1.00 21.43 C ATOM 163 O THR A 28 8.891 -8.445 0.614 1.00 61.21 O ATOM 164 CB THR A 28 7.848 -10.475 -1.928 1.00 5.21 C ATOM 165 OG1 THR A 28 8.817 -10.393 -2.986 1.00 34.11 O ATOM 166 CG2 THR A 28 6.914 -9.254 -2.003 1.00 51.43 C ATOM 0 H THR A 28 7.199 -10.009 0.976 1.00 71.32 H new ATOM 0 HA THR A 28 9.275 -11.380 -0.539 1.00 12.30 H new ATOM 0 HB THR A 28 7.259 -11.384 -2.050 1.00 5.21 H new ATOM 0 HG1 THR A 28 8.356 -10.343 -3.849 1.00 34.11 H new ATOM 0 HG21 THR A 28 6.439 -9.219 -2.983 1.00 51.43 H new ATOM 0 HG22 THR A 28 6.148 -9.334 -1.231 1.00 51.43 H new ATOM 0 HG23 THR A 28 7.492 -8.343 -1.848 1.00 51.43 H new ATOM 174 N ASP A 29 10.437 -9.054 -0.911 1.00 65.32 N ATOM 175 CA ASP A 29 11.241 -7.841 -0.781 1.00 32.25 C ATOM 176 C ASP A 29 11.169 -7.060 -2.056 1.00 14.13 C ATOM 177 O ASP A 29 11.588 -7.549 -3.116 1.00 74.20 O ATOM 178 CB ASP A 29 12.733 -8.151 -0.531 1.00 44.44 C ATOM 179 CG ASP A 29 13.046 -8.806 0.786 1.00 11.22 C ATOM 180 OD1 ASP A 29 12.652 -9.972 0.991 1.00 14.44 O ATOM 181 OD2 ASP A 29 13.751 -8.187 1.605 1.00 72.25 O ATOM 0 H ASP A 29 10.815 -9.731 -1.574 1.00 65.32 H new ATOM 0 HA ASP A 29 10.840 -7.286 0.067 1.00 32.25 H new ATOM 0 HB2 ASP A 29 13.091 -8.797 -1.333 1.00 44.44 H new ATOM 0 HB3 ASP A 29 13.296 -7.220 -0.597 1.00 44.44 H new ATOM 186 N VAL A 30 10.649 -5.884 -1.990 1.00 21.32 N ATOM 187 CA VAL A 30 10.652 -5.023 -3.136 1.00 61.30 C ATOM 188 C VAL A 30 11.631 -3.917 -2.863 1.00 20.24 C ATOM 189 O VAL A 30 11.694 -3.394 -1.750 1.00 21.31 O ATOM 190 CB VAL A 30 9.256 -4.436 -3.477 1.00 75.44 C ATOM 191 CG1 VAL A 30 9.341 -3.541 -4.704 1.00 34.22 C ATOM 192 CG2 VAL A 30 8.249 -5.545 -3.725 1.00 24.12 C ATOM 0 H VAL A 30 10.214 -5.490 -1.156 1.00 21.32 H new ATOM 0 HA VAL A 30 10.938 -5.611 -4.008 1.00 61.30 H new ATOM 0 HB VAL A 30 8.924 -3.845 -2.624 1.00 75.44 H new ATOM 0 HG11 VAL A 30 8.354 -3.138 -4.929 1.00 34.22 H new ATOM 0 HG12 VAL A 30 10.032 -2.721 -4.509 1.00 34.22 H new ATOM 0 HG13 VAL A 30 9.698 -4.122 -5.554 1.00 34.22 H new ATOM 0 HG21 VAL A 30 7.279 -5.109 -3.962 1.00 24.12 H new ATOM 0 HG22 VAL A 30 8.584 -6.161 -4.560 1.00 24.12 H new ATOM 0 HG23 VAL A 30 8.161 -6.163 -2.831 1.00 24.12 H new ATOM 202 N GLU A 31 12.411 -3.583 -3.822 1.00 12.22 N ATOM 203 CA GLU A 31 13.387 -2.583 -3.613 1.00 33.24 C ATOM 204 C GLU A 31 12.878 -1.265 -4.141 1.00 23.13 C ATOM 205 O GLU A 31 12.267 -1.210 -5.212 1.00 31.42 O ATOM 206 CB GLU A 31 14.679 -2.958 -4.293 1.00 70.20 C ATOM 207 CG GLU A 31 15.099 -4.409 -4.064 1.00 40.43 C ATOM 208 CD GLU A 31 16.432 -4.723 -4.671 1.00 53.33 C ATOM 209 OE1 GLU A 31 17.459 -4.411 -4.047 1.00 21.22 O ATOM 210 OE2 GLU A 31 16.478 -5.307 -5.766 1.00 64.52 O ATOM 0 H GLU A 31 12.393 -3.987 -4.758 1.00 12.22 H new ATOM 0 HA GLU A 31 13.580 -2.490 -2.544 1.00 33.24 H new ATOM 0 HB2 GLU A 31 14.579 -2.784 -5.364 1.00 70.20 H new ATOM 0 HB3 GLU A 31 15.471 -2.300 -3.936 1.00 70.20 H new ATOM 0 HG2 GLU A 31 15.135 -4.609 -2.993 1.00 40.43 H new ATOM 0 HG3 GLU A 31 14.345 -5.073 -4.487 1.00 40.43 H new ATOM 217 N ILE A 32 13.097 -0.224 -3.393 1.00 70.32 N ATOM 218 CA ILE A 32 12.681 1.099 -3.788 1.00 3.53 C ATOM 219 C ILE A 32 13.913 1.959 -3.986 1.00 44.22 C ATOM 220 O ILE A 32 15.023 1.521 -3.674 1.00 51.32 O ATOM 221 CB ILE A 32 11.721 1.752 -2.744 1.00 4.34 C ATOM 222 CG1 ILE A 32 12.381 1.811 -1.352 1.00 71.31 C ATOM 223 CG2 ILE A 32 10.386 1.000 -2.695 1.00 64.52 C ATOM 224 CD1 ILE A 32 11.531 2.462 -0.276 1.00 32.42 C ATOM 0 H ILE A 32 13.569 -0.263 -2.490 1.00 70.32 H new ATOM 0 HA ILE A 32 12.122 1.021 -4.721 1.00 3.53 H new ATOM 0 HB ILE A 32 11.519 2.776 -3.057 1.00 4.34 H new ATOM 0 HG12 ILE A 32 12.627 0.797 -1.038 1.00 71.31 H new ATOM 0 HG13 ILE A 32 13.321 2.356 -1.433 1.00 71.31 H new ATOM 0 HG21 ILE A 32 9.730 1.470 -1.962 1.00 64.52 H new ATOM 0 HG22 ILE A 32 9.914 1.032 -3.677 1.00 64.52 H new ATOM 0 HG23 ILE A 32 10.563 -0.037 -2.411 1.00 64.52 H new ATOM 0 HD11 ILE A 32 12.075 2.459 0.669 1.00 32.42 H new ATOM 0 HD12 ILE A 32 11.306 3.489 -0.562 1.00 32.42 H new ATOM 0 HD13 ILE A 32 10.601 1.905 -0.161 1.00 32.42 H new ATOM 236 N LYS A 33 13.734 3.146 -4.480 1.00 72.31 N ATOM 237 CA LYS A 33 14.832 4.048 -4.750 1.00 25.24 C ATOM 238 C LYS A 33 14.958 5.051 -3.622 1.00 34.34 C ATOM 239 O LYS A 33 16.059 5.548 -3.328 1.00 13.14 O ATOM 240 CB LYS A 33 14.596 4.776 -6.059 1.00 4.41 C ATOM 241 CG LYS A 33 14.474 3.869 -7.263 1.00 75.45 C ATOM 242 CD LYS A 33 14.158 4.669 -8.503 1.00 73.44 C ATOM 243 CE LYS A 33 13.974 3.776 -9.707 1.00 41.25 C ATOM 244 NZ LYS A 33 13.545 4.538 -10.895 1.00 13.24 N ATOM 0 H LYS A 33 12.817 3.527 -4.712 1.00 72.31 H new ATOM 0 HA LYS A 33 15.755 3.473 -4.826 1.00 25.24 H new ATOM 0 HB2 LYS A 33 13.686 5.369 -5.972 1.00 4.41 H new ATOM 0 HB3 LYS A 33 15.417 5.474 -6.226 1.00 4.41 H new ATOM 0 HG2 LYS A 33 15.404 3.319 -7.406 1.00 75.45 H new ATOM 0 HG3 LYS A 33 13.691 3.131 -7.091 1.00 75.45 H new ATOM 0 HD2 LYS A 33 13.252 5.252 -8.340 1.00 73.44 H new ATOM 0 HD3 LYS A 33 14.963 5.378 -8.695 1.00 73.44 H new ATOM 0 HE2 LYS A 33 14.910 3.261 -9.924 1.00 41.25 H new ATOM 0 HE3 LYS A 33 13.234 3.009 -9.481 1.00 41.25 H new ATOM 0 HZ1 LYS A 33 13.430 3.890 -11.700 1.00 13.24 H new ATOM 0 HZ2 LYS A 33 12.639 5.009 -10.697 1.00 13.24 H new ATOM 0 HZ3 LYS A 33 14.263 5.253 -11.127 1.00 13.24 H new ATOM 258 N ALA A 34 13.845 5.348 -2.991 1.00 62.24 N ATOM 259 CA ALA A 34 13.831 6.254 -1.866 1.00 31.22 C ATOM 260 C ALA A 34 14.340 5.556 -0.611 1.00 13.42 C ATOM 261 O ALA A 34 14.483 4.326 -0.586 1.00 10.15 O ATOM 262 CB ALA A 34 12.435 6.793 -1.641 1.00 23.03 C ATOM 0 H ALA A 34 12.931 4.972 -3.241 1.00 62.24 H new ATOM 0 HA ALA A 34 14.494 7.090 -2.088 1.00 31.22 H new ATOM 0 HB1 ALA A 34 12.441 7.474 -0.790 1.00 23.03 H new ATOM 0 HB2 ALA A 34 12.103 7.327 -2.531 1.00 23.03 H new ATOM 0 HB3 ALA A 34 11.754 5.966 -1.439 1.00 23.03 H new ATOM 268 N SER A 35 14.625 6.322 0.409 1.00 51.34 N ATOM 269 CA SER A 35 15.096 5.770 1.646 1.00 74.15 C ATOM 270 C SER A 35 14.017 5.824 2.712 1.00 52.32 C ATOM 271 O SER A 35 13.086 6.652 2.644 1.00 3.52 O ATOM 272 CB SER A 35 16.348 6.511 2.114 1.00 53.03 C ATOM 273 OG SER A 35 16.105 7.912 2.189 1.00 14.33 O ATOM 0 H SER A 35 14.537 7.338 0.404 1.00 51.34 H new ATOM 0 HA SER A 35 15.350 4.724 1.477 1.00 74.15 H new ATOM 0 HB2 SER A 35 16.654 6.137 3.091 1.00 53.03 H new ATOM 0 HB3 SER A 35 17.171 6.316 1.426 1.00 53.03 H new ATOM 0 HG SER A 35 16.917 8.369 2.492 1.00 14.33 H new ATOM 279 N ALA A 36 14.157 4.966 3.696 1.00 72.15 N ATOM 280 CA ALA A 36 13.238 4.882 4.834 1.00 1.34 C ATOM 281 C ALA A 36 13.249 6.188 5.607 1.00 53.11 C ATOM 282 O ALA A 36 12.263 6.576 6.244 1.00 73.13 O ATOM 283 CB ALA A 36 13.667 3.756 5.744 1.00 73.24 C ATOM 0 H ALA A 36 14.921 4.291 3.740 1.00 72.15 H new ATOM 0 HA ALA A 36 12.230 4.693 4.466 1.00 1.34 H new ATOM 0 HB1 ALA A 36 12.984 3.692 6.591 1.00 73.24 H new ATOM 0 HB2 ALA A 36 13.650 2.816 5.193 1.00 73.24 H new ATOM 0 HB3 ALA A 36 14.677 3.946 6.106 1.00 73.24 H new ATOM 289 N ASP A 37 14.381 6.855 5.530 1.00 55.22 N ATOM 290 CA ASP A 37 14.594 8.136 6.156 1.00 32.31 C ATOM 291 C ASP A 37 13.601 9.154 5.625 1.00 2.33 C ATOM 292 O ASP A 37 12.879 9.779 6.392 1.00 5.13 O ATOM 293 CB ASP A 37 16.021 8.607 5.883 1.00 12.11 C ATOM 294 CG ASP A 37 16.310 9.972 6.454 1.00 33.23 C ATOM 295 OD1 ASP A 37 16.076 10.975 5.760 1.00 74.51 O ATOM 296 OD2 ASP A 37 16.798 10.055 7.601 1.00 54.33 O ATOM 0 H ASP A 37 15.194 6.512 5.019 1.00 55.22 H new ATOM 0 HA ASP A 37 14.446 8.035 7.231 1.00 32.31 H new ATOM 0 HB2 ASP A 37 16.722 7.887 6.305 1.00 12.11 H new ATOM 0 HB3 ASP A 37 16.192 8.626 4.807 1.00 12.11 H new ATOM 301 N LYS A 38 13.511 9.267 4.307 1.00 52.40 N ATOM 302 CA LYS A 38 12.624 10.251 3.725 1.00 53.40 C ATOM 303 C LYS A 38 11.184 9.843 3.793 1.00 54.25 C ATOM 304 O LYS A 38 10.292 10.689 3.795 1.00 51.23 O ATOM 305 CB LYS A 38 13.021 10.747 2.363 1.00 52.25 C ATOM 306 CG LYS A 38 13.066 9.759 1.245 1.00 20.23 C ATOM 307 CD LYS A 38 13.485 10.493 0.002 1.00 44.41 C ATOM 308 CE LYS A 38 12.444 11.545 -0.424 1.00 35.25 C ATOM 309 NZ LYS A 38 12.857 12.312 -1.618 1.00 0.25 N ATOM 0 H LYS A 38 14.031 8.701 3.637 1.00 52.40 H new ATOM 0 HA LYS A 38 12.742 11.123 4.368 1.00 53.40 H new ATOM 0 HB2 LYS A 38 12.328 11.540 2.081 1.00 52.25 H new ATOM 0 HB3 LYS A 38 14.008 11.202 2.447 1.00 52.25 H new ATOM 0 HG2 LYS A 38 13.769 8.958 1.471 1.00 20.23 H new ATOM 0 HG3 LYS A 38 12.089 9.296 1.105 1.00 20.23 H new ATOM 0 HD2 LYS A 38 14.444 10.981 0.175 1.00 44.41 H new ATOM 0 HD3 LYS A 38 13.632 9.779 -0.809 1.00 44.41 H new ATOM 0 HE2 LYS A 38 11.495 11.048 -0.628 1.00 35.25 H new ATOM 0 HE3 LYS A 38 12.272 12.234 0.403 1.00 35.25 H new ATOM 0 HZ1 LYS A 38 13.093 13.286 -1.340 1.00 0.25 H new ATOM 0 HZ2 LYS A 38 13.691 11.863 -2.048 1.00 0.25 H new ATOM 0 HZ3 LYS A 38 12.078 12.328 -2.307 1.00 0.25 H new ATOM 323 N PHE A 39 10.959 8.532 3.845 1.00 0.15 N ATOM 324 CA PHE A 39 9.622 7.952 4.007 1.00 24.42 C ATOM 325 C PHE A 39 8.934 8.573 5.232 1.00 41.00 C ATOM 326 O PHE A 39 7.722 8.795 5.233 1.00 10.11 O ATOM 327 CB PHE A 39 9.756 6.420 4.179 1.00 0.14 C ATOM 328 CG PHE A 39 8.474 5.672 4.450 1.00 11.02 C ATOM 329 CD1 PHE A 39 7.655 5.265 3.411 1.00 35.30 C ATOM 330 CD2 PHE A 39 8.099 5.361 5.753 1.00 54.52 C ATOM 331 CE1 PHE A 39 6.488 4.566 3.661 1.00 20.23 C ATOM 332 CE2 PHE A 39 6.933 4.665 6.009 1.00 22.41 C ATOM 333 CZ PHE A 39 6.127 4.267 4.963 1.00 0.32 C ATOM 0 H PHE A 39 11.701 7.836 3.776 1.00 0.15 H new ATOM 0 HA PHE A 39 9.015 8.162 3.127 1.00 24.42 H new ATOM 0 HB2 PHE A 39 10.209 6.011 3.276 1.00 0.14 H new ATOM 0 HB3 PHE A 39 10.448 6.225 4.999 1.00 0.14 H new ATOM 0 HD1 PHE A 39 7.931 5.496 2.393 1.00 35.30 H new ATOM 0 HD2 PHE A 39 8.728 5.668 6.576 1.00 54.52 H new ATOM 0 HE1 PHE A 39 5.859 4.254 2.841 1.00 20.23 H new ATOM 0 HE2 PHE A 39 6.653 4.433 7.026 1.00 22.41 H new ATOM 0 HZ PHE A 39 5.215 3.723 5.160 1.00 0.32 H new ATOM 343 N HIS A 40 9.731 8.889 6.254 1.00 34.41 N ATOM 344 CA HIS A 40 9.214 9.524 7.460 1.00 11.14 C ATOM 345 C HIS A 40 8.683 10.893 7.132 1.00 12.54 C ATOM 346 O HIS A 40 7.543 11.209 7.428 1.00 75.32 O ATOM 347 CB HIS A 40 10.304 9.710 8.520 1.00 62.43 C ATOM 348 CG HIS A 40 10.964 8.472 8.987 1.00 3.54 C ATOM 349 ND1 HIS A 40 12.324 8.337 9.057 1.00 42.51 N ATOM 350 CD2 HIS A 40 10.452 7.324 9.449 1.00 13.41 C ATOM 351 CE1 HIS A 40 12.620 7.155 9.541 1.00 72.23 C ATOM 352 NE2 HIS A 40 11.500 6.522 9.786 1.00 74.22 N ATOM 0 H HIS A 40 10.736 8.714 6.268 1.00 34.41 H new ATOM 0 HA HIS A 40 8.432 8.871 7.847 1.00 11.14 H new ATOM 0 HB2 HIS A 40 11.067 10.376 8.117 1.00 62.43 H new ATOM 0 HB3 HIS A 40 9.865 10.213 9.382 1.00 62.43 H new ATOM 0 HD2 HIS A 40 9.404 7.080 9.538 1.00 13.41 H new ATOM 0 HE1 HIS A 40 13.615 6.770 9.709 1.00 72.23 H new ATOM 0 HE2 HIS A 40 11.425 5.579 10.168 1.00 74.22 H new ATOM 361 N HIS A 41 9.510 11.672 6.449 1.00 51.42 N ATOM 362 CA HIS A 41 9.226 13.077 6.144 1.00 61.51 C ATOM 363 C HIS A 41 7.994 13.211 5.284 1.00 74.30 C ATOM 364 O HIS A 41 7.260 14.175 5.393 1.00 53.03 O ATOM 365 CB HIS A 41 10.410 13.744 5.412 1.00 50.14 C ATOM 366 CG HIS A 41 11.709 13.792 6.176 1.00 43.03 C ATOM 367 ND1 HIS A 41 12.319 14.963 6.553 1.00 71.13 N ATOM 368 CD2 HIS A 41 12.540 12.805 6.575 1.00 5.14 C ATOM 369 CE1 HIS A 41 13.459 14.687 7.151 1.00 54.10 C ATOM 370 NE2 HIS A 41 13.613 13.388 7.175 1.00 61.54 N ATOM 0 H HIS A 41 10.406 11.348 6.085 1.00 51.42 H new ATOM 0 HA HIS A 41 9.061 13.577 7.099 1.00 61.51 H new ATOM 0 HB2 HIS A 41 10.580 13.212 4.476 1.00 50.14 H new ATOM 0 HB3 HIS A 41 10.125 14.763 5.152 1.00 50.14 H new ATOM 0 HD2 HIS A 41 12.382 11.745 6.442 1.00 5.14 H new ATOM 0 HE1 HIS A 41 14.151 15.412 7.554 1.00 54.10 H new ATOM 0 HE2 HIS A 41 14.408 12.893 7.578 1.00 61.54 H new ATOM 778 N THR A 70 -4.672 9.755 10.738 1.00 63.24 N ATOM 779 CA THR A 70 -3.617 8.879 10.256 1.00 14.41 C ATOM 780 C THR A 70 -4.099 7.409 10.270 1.00 72.34 C ATOM 781 O THR A 70 -4.401 6.832 9.222 1.00 60.33 O ATOM 782 CB THR A 70 -2.288 9.058 11.054 1.00 23.33 C ATOM 783 OG1 THR A 70 -1.916 10.452 11.059 1.00 30.13 O ATOM 784 CG2 THR A 70 -1.168 8.261 10.411 1.00 25.11 C ATOM 0 HA THR A 70 -3.393 9.160 9.227 1.00 14.41 H new ATOM 0 HB THR A 70 -2.446 8.701 12.072 1.00 23.33 H new ATOM 0 HG1 THR A 70 -2.723 11.006 11.022 1.00 30.13 H new ATOM 0 HG21 THR A 70 -0.250 8.399 10.982 1.00 25.11 H new ATOM 0 HG22 THR A 70 -1.434 7.204 10.400 1.00 25.11 H new ATOM 0 HG23 THR A 70 -1.015 8.607 9.389 1.00 25.11 H new ATOM 792 N VAL A 71 -4.179 6.821 11.441 1.00 20.14 N ATOM 793 CA VAL A 71 -4.684 5.478 11.584 1.00 10.44 C ATOM 794 C VAL A 71 -6.200 5.490 11.379 1.00 32.31 C ATOM 795 O VAL A 71 -6.914 6.240 12.049 1.00 74.25 O ATOM 796 CB VAL A 71 -4.344 4.883 12.966 1.00 71.40 C ATOM 797 CG1 VAL A 71 -4.839 3.450 13.072 1.00 75.13 C ATOM 798 CG2 VAL A 71 -2.851 4.955 13.229 1.00 12.25 C ATOM 0 H VAL A 71 -3.897 7.259 12.318 1.00 20.14 H new ATOM 0 HA VAL A 71 -4.207 4.850 10.832 1.00 10.44 H new ATOM 0 HB VAL A 71 -4.853 5.476 13.726 1.00 71.40 H new ATOM 0 HG11 VAL A 71 -4.588 3.050 14.055 1.00 75.13 H new ATOM 0 HG12 VAL A 71 -5.920 3.428 12.936 1.00 75.13 H new ATOM 0 HG13 VAL A 71 -4.364 2.843 12.301 1.00 75.13 H new ATOM 0 HG21 VAL A 71 -2.633 4.530 14.209 1.00 12.25 H new ATOM 0 HG22 VAL A 71 -2.319 4.391 12.463 1.00 12.25 H new ATOM 0 HG23 VAL A 71 -2.527 5.995 13.205 1.00 12.25 H new ATOM 808 N GLY A 72 -6.682 4.679 10.467 1.00 1.32 N ATOM 809 CA GLY A 72 -8.094 4.667 10.180 1.00 21.11 C ATOM 810 C GLY A 72 -8.405 5.442 8.929 1.00 64.24 C ATOM 811 O GLY A 72 -9.564 5.554 8.526 1.00 65.13 O ATOM 0 H GLY A 72 -6.123 4.026 9.917 1.00 1.32 H new ATOM 0 HA2 GLY A 72 -8.435 3.638 10.067 1.00 21.11 H new ATOM 0 HA3 GLY A 72 -8.642 5.094 11.020 1.00 21.11 H new ATOM 815 N SER A 73 -7.366 5.998 8.326 1.00 75.42 N ATOM 816 CA SER A 73 -7.497 6.754 7.110 1.00 42.33 C ATOM 817 C SER A 73 -7.991 5.855 5.992 1.00 14.21 C ATOM 818 O SER A 73 -7.472 4.738 5.797 1.00 73.03 O ATOM 819 CB SER A 73 -6.142 7.374 6.735 1.00 12.04 C ATOM 820 OG SER A 73 -6.225 8.205 5.586 1.00 74.33 O ATOM 0 H SER A 73 -6.410 5.932 8.674 1.00 75.42 H new ATOM 0 HA SER A 73 -8.222 7.554 7.261 1.00 42.33 H new ATOM 0 HB2 SER A 73 -5.768 7.958 7.576 1.00 12.04 H new ATOM 0 HB3 SER A 73 -5.420 6.578 6.553 1.00 12.04 H new ATOM 0 HG SER A 73 -5.341 8.578 5.387 1.00 74.33 H new ATOM 826 N ILE A 74 -8.991 6.324 5.285 1.00 30.10 N ATOM 827 CA ILE A 74 -9.542 5.614 4.176 1.00 13.45 C ATOM 828 C ILE A 74 -9.575 6.513 2.975 1.00 54.34 C ATOM 829 O ILE A 74 -10.265 7.539 2.959 1.00 50.12 O ATOM 830 CB ILE A 74 -10.959 5.074 4.480 1.00 61.01 C ATOM 831 CG1 ILE A 74 -10.867 4.038 5.597 1.00 61.31 C ATOM 832 CG2 ILE A 74 -11.599 4.465 3.222 1.00 11.54 C ATOM 833 CD1 ILE A 74 -12.189 3.492 6.048 1.00 62.22 C ATOM 0 H ILE A 74 -9.443 7.219 5.472 1.00 30.10 H new ATOM 0 HA ILE A 74 -8.905 4.752 3.976 1.00 13.45 H new ATOM 0 HB ILE A 74 -11.595 5.898 4.802 1.00 61.01 H new ATOM 0 HG12 ILE A 74 -10.243 3.211 5.258 1.00 61.31 H new ATOM 0 HG13 ILE A 74 -10.363 4.488 6.452 1.00 61.31 H new ATOM 0 HG21 ILE A 74 -12.595 4.093 3.464 1.00 11.54 H new ATOM 0 HG22 ILE A 74 -11.675 5.228 2.447 1.00 11.54 H new ATOM 0 HG23 ILE A 74 -10.982 3.642 2.862 1.00 11.54 H new ATOM 0 HD11 ILE A 74 -12.030 2.763 6.843 1.00 62.22 H new ATOM 0 HD12 ILE A 74 -12.811 4.306 6.421 1.00 62.22 H new ATOM 0 HD13 ILE A 74 -12.689 3.009 5.208 1.00 62.22 H new ATOM 845 N VAL A 75 -8.828 6.136 1.994 1.00 15.33 N ATOM 846 CA VAL A 75 -8.726 6.857 0.753 1.00 34.45 C ATOM 847 C VAL A 75 -8.795 5.846 -0.348 1.00 12.51 C ATOM 848 O VAL A 75 -8.592 4.657 -0.098 1.00 51.01 O ATOM 849 CB VAL A 75 -7.386 7.666 0.636 1.00 1.12 C ATOM 850 CG1 VAL A 75 -7.297 8.743 1.708 1.00 20.12 C ATOM 851 CG2 VAL A 75 -6.170 6.744 0.712 1.00 20.04 C ATOM 0 H VAL A 75 -8.252 5.295 2.025 1.00 15.33 H new ATOM 0 HA VAL A 75 -9.536 7.584 0.696 1.00 34.45 H new ATOM 0 HB VAL A 75 -7.387 8.151 -0.340 1.00 1.12 H new ATOM 0 HG11 VAL A 75 -6.358 9.286 1.601 1.00 20.12 H new ATOM 0 HG12 VAL A 75 -8.131 9.436 1.598 1.00 20.12 H new ATOM 0 HG13 VAL A 75 -7.338 8.279 2.694 1.00 20.12 H new ATOM 0 HG21 VAL A 75 -5.259 7.336 0.628 1.00 20.04 H new ATOM 0 HG22 VAL A 75 -6.173 6.216 1.666 1.00 20.04 H new ATOM 0 HG23 VAL A 75 -6.210 6.021 -0.103 1.00 20.04 H new ATOM 861 N PHE A 76 -9.106 6.270 -1.534 1.00 32.51 N ATOM 862 CA PHE A 76 -9.163 5.353 -2.629 1.00 24.14 C ATOM 863 C PHE A 76 -8.202 5.798 -3.664 1.00 34.12 C ATOM 864 O PHE A 76 -8.290 6.923 -4.171 1.00 55.24 O ATOM 865 CB PHE A 76 -10.587 5.252 -3.183 1.00 4.11 C ATOM 866 CG PHE A 76 -11.571 4.889 -2.115 1.00 44.42 C ATOM 867 CD1 PHE A 76 -11.339 3.801 -1.331 1.00 23.14 C ATOM 868 CD2 PHE A 76 -12.689 5.656 -1.872 1.00 70.14 C ATOM 869 CE1 PHE A 76 -12.186 3.451 -0.324 1.00 21.45 C ATOM 870 CE2 PHE A 76 -13.558 5.318 -0.854 1.00 40.32 C ATOM 871 CZ PHE A 76 -13.306 4.210 -0.077 1.00 21.01 C ATOM 0 H PHE A 76 -9.323 7.239 -1.767 1.00 32.51 H new ATOM 0 HA PHE A 76 -8.888 4.353 -2.293 1.00 24.14 H new ATOM 0 HB2 PHE A 76 -10.871 6.204 -3.632 1.00 4.11 H new ATOM 0 HB3 PHE A 76 -10.617 4.504 -3.975 1.00 4.11 H new ATOM 0 HD1 PHE A 76 -10.460 3.200 -1.512 1.00 23.14 H new ATOM 0 HD2 PHE A 76 -12.887 6.526 -2.481 1.00 70.14 H new ATOM 0 HE1 PHE A 76 -11.979 2.579 0.279 1.00 21.45 H new ATOM 0 HE2 PHE A 76 -14.434 5.922 -0.668 1.00 40.32 H new ATOM 0 HZ PHE A 76 -13.982 3.939 0.720 1.00 21.01 H new ATOM 881 N TRP A 77 -7.287 4.951 -3.987 1.00 14.05 N ATOM 882 CA TRP A 77 -6.268 5.307 -4.877 1.00 54.44 C ATOM 883 C TRP A 77 -6.456 4.580 -6.191 1.00 4.34 C ATOM 884 O TRP A 77 -6.811 3.392 -6.219 1.00 54.53 O ATOM 885 CB TRP A 77 -4.921 5.000 -4.243 1.00 34.15 C ATOM 886 CG TRP A 77 -3.790 5.612 -4.964 1.00 32.01 C ATOM 887 CD1 TRP A 77 -3.137 5.096 -6.014 1.00 30.05 C ATOM 888 CD2 TRP A 77 -3.182 6.876 -4.683 1.00 62.31 C ATOM 889 NE1 TRP A 77 -2.152 5.950 -6.423 1.00 21.21 N ATOM 890 CE2 TRP A 77 -2.155 7.051 -5.613 1.00 25.23 C ATOM 891 CE3 TRP A 77 -3.408 7.872 -3.728 1.00 21.23 C ATOM 892 CZ2 TRP A 77 -1.348 8.184 -5.630 1.00 34.31 C ATOM 893 CZ3 TRP A 77 -2.607 8.995 -3.742 1.00 53.43 C ATOM 894 CH2 TRP A 77 -1.588 9.144 -4.688 1.00 44.31 C ATOM 0 H TRP A 77 -7.235 3.995 -3.635 1.00 14.05 H new ATOM 0 HA TRP A 77 -6.306 6.376 -5.088 1.00 54.44 H new ATOM 0 HB2 TRP A 77 -4.922 5.355 -3.212 1.00 34.15 H new ATOM 0 HB3 TRP A 77 -4.780 3.920 -4.208 1.00 34.15 H new ATOM 0 HD1 TRP A 77 -3.357 4.143 -6.471 1.00 30.05 H new ATOM 0 HE1 TRP A 77 -1.517 5.792 -7.206 1.00 21.21 H new ATOM 0 HE3 TRP A 77 -4.193 7.764 -2.995 1.00 21.23 H new ATOM 0 HZ2 TRP A 77 -0.561 8.300 -6.361 1.00 34.31 H new ATOM 0 HZ3 TRP A 77 -2.770 9.772 -3.010 1.00 53.43 H new ATOM 0 HH2 TRP A 77 -0.979 10.036 -4.674 1.00 44.31 H new ATOM 905 N ASN A 78 -6.267 5.304 -7.269 1.00 64.13 N ATOM 906 CA ASN A 78 -6.401 4.760 -8.608 1.00 24.22 C ATOM 907 C ASN A 78 -5.043 4.559 -9.219 1.00 34.44 C ATOM 908 O ASN A 78 -4.203 5.453 -9.188 1.00 34.00 O ATOM 909 CB ASN A 78 -7.217 5.687 -9.541 1.00 41.44 C ATOM 910 CG ASN A 78 -8.697 5.845 -9.194 1.00 71.52 C ATOM 911 OD1 ASN A 78 -9.522 6.049 -10.085 1.00 63.43 O ATOM 912 ND2 ASN A 78 -9.042 5.770 -7.933 1.00 0.21 N ATOM 0 H ASN A 78 -6.015 6.292 -7.246 1.00 64.13 H new ATOM 0 HA ASN A 78 -6.930 3.812 -8.510 1.00 24.22 H new ATOM 0 HB2 ASN A 78 -6.755 6.674 -9.536 1.00 41.44 H new ATOM 0 HB3 ASN A 78 -7.141 5.305 -10.559 1.00 41.44 H new ATOM 0 HD21 ASN A 78 -10.020 5.882 -7.664 1.00 0.21 H new ATOM 0 HD22 ASN A 78 -8.333 5.600 -7.220 1.00 0.21 H new ATOM 919 N TYR A 79 -4.827 3.418 -9.769 1.00 41.52 N ATOM 920 CA TYR A 79 -3.593 3.123 -10.438 1.00 50.21 C ATOM 921 C TYR A 79 -3.927 2.388 -11.707 1.00 73.44 C ATOM 922 O TYR A 79 -4.989 1.779 -11.800 1.00 51.55 O ATOM 923 CB TYR A 79 -2.626 2.306 -9.537 1.00 63.34 C ATOM 924 CG TYR A 79 -3.107 0.912 -9.149 1.00 72.12 C ATOM 925 CD1 TYR A 79 -4.008 0.719 -8.104 1.00 32.13 C ATOM 926 CD2 TYR A 79 -2.643 -0.212 -9.828 1.00 61.55 C ATOM 927 CE1 TYR A 79 -4.433 -0.551 -7.753 1.00 31.34 C ATOM 928 CE2 TYR A 79 -3.063 -1.479 -9.484 1.00 21.52 C ATOM 929 CZ TYR A 79 -3.955 -1.646 -8.449 1.00 21.13 C ATOM 930 OH TYR A 79 -4.376 -2.914 -8.110 1.00 74.34 O ATOM 0 H TYR A 79 -5.500 2.652 -9.772 1.00 41.52 H new ATOM 0 HA TYR A 79 -3.066 4.049 -10.670 1.00 50.21 H new ATOM 0 HB2 TYR A 79 -1.671 2.211 -10.053 1.00 63.34 H new ATOM 0 HB3 TYR A 79 -2.441 2.874 -8.625 1.00 63.34 H new ATOM 0 HD1 TYR A 79 -4.381 1.574 -7.559 1.00 32.13 H new ATOM 0 HD2 TYR A 79 -1.941 -0.089 -10.639 1.00 61.55 H new ATOM 0 HE1 TYR A 79 -5.133 -0.685 -6.941 1.00 31.34 H new ATOM 0 HE2 TYR A 79 -2.693 -2.338 -10.025 1.00 21.52 H new ATOM 0 HH TYR A 79 -4.600 -2.940 -7.156 1.00 74.34 H new ATOM 940 N VAL A 80 -3.072 2.434 -12.667 1.00 1.42 N ATOM 941 CA VAL A 80 -3.360 1.803 -13.922 1.00 32.52 C ATOM 942 C VAL A 80 -2.555 0.545 -14.044 1.00 15.33 C ATOM 943 O VAL A 80 -1.350 0.559 -13.850 1.00 51.44 O ATOM 944 CB VAL A 80 -3.047 2.738 -15.115 1.00 10.12 C ATOM 945 CG1 VAL A 80 -3.407 2.066 -16.438 1.00 23.12 C ATOM 946 CG2 VAL A 80 -3.788 4.057 -14.960 1.00 64.24 C ATOM 0 H VAL A 80 -2.166 2.900 -12.615 1.00 1.42 H new ATOM 0 HA VAL A 80 -4.425 1.571 -13.948 1.00 32.52 H new ATOM 0 HB VAL A 80 -1.976 2.943 -15.122 1.00 10.12 H new ATOM 0 HG11 VAL A 80 -3.179 2.741 -17.263 1.00 23.12 H new ATOM 0 HG12 VAL A 80 -2.829 1.149 -16.549 1.00 23.12 H new ATOM 0 HG13 VAL A 80 -4.471 1.828 -16.448 1.00 23.12 H new ATOM 0 HG21 VAL A 80 -3.559 4.705 -15.806 1.00 64.24 H new ATOM 0 HG22 VAL A 80 -4.861 3.870 -14.927 1.00 64.24 H new ATOM 0 HG23 VAL A 80 -3.476 4.543 -14.036 1.00 64.24 H new ATOM 956 N HIS A 81 -3.223 -0.535 -14.343 1.00 32.35 N ATOM 957 CA HIS A 81 -2.579 -1.814 -14.496 1.00 42.02 C ATOM 958 C HIS A 81 -3.136 -2.494 -15.722 1.00 42.21 C ATOM 959 O HIS A 81 -4.325 -2.808 -15.770 1.00 64.34 O ATOM 960 CB HIS A 81 -2.769 -2.672 -13.230 1.00 5.41 C ATOM 961 CG HIS A 81 -2.107 -4.022 -13.286 1.00 51.25 C ATOM 962 ND1 HIS A 81 -0.760 -4.198 -13.166 1.00 73.24 N ATOM 963 CD2 HIS A 81 -2.627 -5.251 -13.449 1.00 2.33 C ATOM 964 CE1 HIS A 81 -0.471 -5.476 -13.251 1.00 21.51 C ATOM 965 NE2 HIS A 81 -1.590 -6.146 -13.424 1.00 71.03 N ATOM 0 H HIS A 81 -4.232 -0.555 -14.488 1.00 32.35 H new ATOM 0 HA HIS A 81 -1.506 -1.678 -14.627 1.00 42.02 H new ATOM 0 HB2 HIS A 81 -2.377 -2.124 -12.373 1.00 5.41 H new ATOM 0 HB3 HIS A 81 -3.836 -2.812 -13.058 1.00 5.41 H new ATOM 0 HD1 HIS A 81 -0.080 -3.450 -13.031 1.00 73.24 H new ATOM 0 HD2 HIS A 81 -3.673 -5.490 -13.577 1.00 2.33 H new ATOM 0 HE1 HIS A 81 0.518 -5.905 -13.189 1.00 21.51 H new ATOM 974 N ASP A 82 -2.272 -2.670 -16.717 1.00 71.02 N ATOM 975 CA ASP A 82 -2.606 -3.283 -18.028 1.00 21.32 C ATOM 976 C ASP A 82 -3.638 -2.479 -18.774 1.00 61.15 C ATOM 977 O ASP A 82 -4.343 -2.992 -19.621 1.00 3.32 O ATOM 978 CB ASP A 82 -3.083 -4.736 -17.896 1.00 41.20 C ATOM 979 CG ASP A 82 -2.003 -5.682 -17.481 1.00 34.31 C ATOM 980 OD1 ASP A 82 -1.257 -6.160 -18.359 1.00 51.14 O ATOM 981 OD2 ASP A 82 -1.891 -5.974 -16.288 1.00 50.42 O ATOM 0 H ASP A 82 -1.294 -2.389 -16.647 1.00 71.02 H new ATOM 0 HA ASP A 82 -1.677 -3.283 -18.598 1.00 21.32 H new ATOM 0 HB2 ASP A 82 -3.893 -4.780 -17.168 1.00 41.20 H new ATOM 0 HB3 ASP A 82 -3.495 -5.063 -18.851 1.00 41.20 H new ATOM 986 N GLY A 83 -3.650 -1.202 -18.530 1.00 72.13 N ATOM 987 CA GLY A 83 -4.560 -0.346 -19.225 1.00 20.31 C ATOM 988 C GLY A 83 -5.890 -0.148 -18.529 1.00 31.34 C ATOM 989 O GLY A 83 -6.688 0.682 -18.969 1.00 54.21 O ATOM 0 H GLY A 83 -3.042 -0.733 -17.858 1.00 72.13 H new ATOM 0 HA2 GLY A 83 -4.089 0.627 -19.365 1.00 20.31 H new ATOM 0 HA3 GLY A 83 -4.741 -0.758 -20.218 1.00 20.31 H new ATOM 993 N GLU A 84 -6.169 -0.887 -17.466 1.00 32.35 N ATOM 994 CA GLU A 84 -7.398 -0.621 -16.741 1.00 3.41 C ATOM 995 C GLU A 84 -7.109 0.290 -15.590 1.00 1.25 C ATOM 996 O GLU A 84 -6.002 0.268 -15.024 1.00 64.31 O ATOM 997 CB GLU A 84 -8.101 -1.859 -16.147 1.00 54.31 C ATOM 998 CG GLU A 84 -8.565 -2.953 -17.082 1.00 31.11 C ATOM 999 CD GLU A 84 -7.469 -3.865 -17.521 1.00 62.21 C ATOM 1000 OE1 GLU A 84 -6.881 -4.544 -16.647 1.00 71.13 O ATOM 1001 OE2 GLU A 84 -7.193 -3.940 -18.722 1.00 22.24 O ATOM 0 H GLU A 84 -5.590 -1.642 -17.100 1.00 32.35 H new ATOM 0 HA GLU A 84 -8.065 -0.191 -17.488 1.00 3.41 H new ATOM 0 HB2 GLU A 84 -7.421 -2.309 -15.424 1.00 54.31 H new ATOM 0 HB3 GLU A 84 -8.971 -1.509 -15.591 1.00 54.31 H new ATOM 0 HG2 GLU A 84 -9.339 -3.540 -16.586 1.00 31.11 H new ATOM 0 HG3 GLU A 84 -9.023 -2.499 -17.961 1.00 31.11 H new ATOM 1008 N ALA A 85 -8.083 1.072 -15.238 1.00 33.33 N ATOM 1009 CA ALA A 85 -7.992 1.904 -14.084 1.00 22.12 C ATOM 1010 C ALA A 85 -8.420 1.069 -12.902 1.00 63.44 C ATOM 1011 O ALA A 85 -9.561 0.605 -12.835 1.00 1.02 O ATOM 1012 CB ALA A 85 -8.888 3.125 -14.238 1.00 51.55 C ATOM 0 H ALA A 85 -8.964 1.149 -15.746 1.00 33.33 H new ATOM 0 HA ALA A 85 -6.974 2.268 -13.945 1.00 22.12 H new ATOM 0 HB1 ALA A 85 -8.807 3.750 -13.349 1.00 51.55 H new ATOM 0 HB2 ALA A 85 -8.577 3.696 -15.113 1.00 51.55 H new ATOM 0 HB3 ALA A 85 -9.922 2.804 -14.363 1.00 51.55 H new ATOM 1018 N LYS A 86 -7.522 0.851 -12.007 1.00 72.41 N ATOM 1019 CA LYS A 86 -7.765 0.025 -10.881 1.00 40.31 C ATOM 1020 C LYS A 86 -7.920 0.918 -9.703 1.00 74.31 C ATOM 1021 O LYS A 86 -7.227 1.934 -9.592 1.00 11.33 O ATOM 1022 CB LYS A 86 -6.573 -0.898 -10.617 1.00 12.22 C ATOM 1023 CG LYS A 86 -6.089 -1.739 -11.790 1.00 11.14 C ATOM 1024 CD LYS A 86 -7.125 -2.720 -12.297 1.00 44.15 C ATOM 1025 CE LYS A 86 -6.541 -3.572 -13.417 1.00 72.34 C ATOM 1026 NZ LYS A 86 -7.530 -4.504 -13.990 1.00 44.20 N ATOM 0 H LYS A 86 -6.583 1.249 -12.039 1.00 72.41 H new ATOM 0 HA LYS A 86 -8.652 -0.583 -11.060 1.00 40.31 H new ATOM 0 HB2 LYS A 86 -5.740 -0.287 -10.269 1.00 12.22 H new ATOM 0 HB3 LYS A 86 -6.837 -1.571 -9.801 1.00 12.22 H new ATOM 0 HG2 LYS A 86 -5.797 -1.077 -12.605 1.00 11.14 H new ATOM 0 HG3 LYS A 86 -5.196 -2.288 -11.490 1.00 11.14 H new ATOM 0 HD2 LYS A 86 -7.460 -3.360 -11.481 1.00 44.15 H new ATOM 0 HD3 LYS A 86 -8.000 -2.181 -12.659 1.00 44.15 H new ATOM 0 HE2 LYS A 86 -6.161 -2.921 -14.204 1.00 72.34 H new ATOM 0 HE3 LYS A 86 -5.692 -4.138 -13.034 1.00 72.34 H new ATOM 0 HZ1 LYS A 86 -7.297 -4.688 -14.987 1.00 44.20 H new ATOM 0 HZ2 LYS A 86 -7.512 -5.398 -13.459 1.00 44.20 H new ATOM 0 HZ3 LYS A 86 -8.479 -4.084 -13.929 1.00 44.20 H new ATOM 1040 N VAL A 87 -8.792 0.572 -8.849 1.00 31.20 N ATOM 1041 CA VAL A 87 -9.009 1.331 -7.669 1.00 60.21 C ATOM 1042 C VAL A 87 -9.108 0.400 -6.482 1.00 20.12 C ATOM 1043 O VAL A 87 -9.836 -0.601 -6.508 1.00 41.23 O ATOM 1044 CB VAL A 87 -10.261 2.257 -7.808 1.00 42.55 C ATOM 1045 CG1 VAL A 87 -11.476 1.470 -8.273 1.00 10.20 C ATOM 1046 CG2 VAL A 87 -10.554 3.003 -6.507 1.00 22.13 C ATOM 0 H VAL A 87 -9.387 -0.252 -8.939 1.00 31.20 H new ATOM 0 HA VAL A 87 -8.160 1.995 -7.508 1.00 60.21 H new ATOM 0 HB VAL A 87 -10.033 3.003 -8.569 1.00 42.55 H new ATOM 0 HG11 VAL A 87 -12.332 2.140 -8.361 1.00 10.20 H new ATOM 0 HG12 VAL A 87 -11.268 1.018 -9.243 1.00 10.20 H new ATOM 0 HG13 VAL A 87 -11.701 0.687 -7.549 1.00 10.20 H new ATOM 0 HG21 VAL A 87 -11.431 3.637 -6.641 1.00 22.13 H new ATOM 0 HG22 VAL A 87 -10.744 2.284 -5.710 1.00 22.13 H new ATOM 0 HG23 VAL A 87 -9.696 3.621 -6.241 1.00 22.13 H new ATOM 1056 N ALA A 88 -8.383 0.722 -5.462 1.00 74.33 N ATOM 1057 CA ALA A 88 -8.327 -0.090 -4.292 1.00 52.44 C ATOM 1058 C ALA A 88 -9.023 0.602 -3.172 1.00 20.44 C ATOM 1059 O ALA A 88 -8.917 1.826 -3.029 1.00 14.43 O ATOM 1060 CB ALA A 88 -6.881 -0.362 -3.920 1.00 34.05 C ATOM 0 H ALA A 88 -7.808 1.563 -5.417 1.00 74.33 H new ATOM 0 HA ALA A 88 -8.823 -1.041 -4.488 1.00 52.44 H new ATOM 0 HB1 ALA A 88 -6.846 -0.983 -3.025 1.00 34.05 H new ATOM 0 HB2 ALA A 88 -6.385 -0.880 -4.741 1.00 34.05 H new ATOM 0 HB3 ALA A 88 -6.371 0.582 -3.727 1.00 34.05 H new ATOM 1066 N LYS A 89 -9.776 -0.146 -2.407 1.00 70.14 N ATOM 1067 CA LYS A 89 -10.396 0.390 -1.284 1.00 10.41 C ATOM 1068 C LYS A 89 -9.600 -0.109 -0.098 1.00 11.15 C ATOM 1069 O LYS A 89 -9.500 -1.331 0.135 1.00 53.21 O ATOM 1070 CB LYS A 89 -11.890 -0.008 -1.210 1.00 11.54 C ATOM 1071 CG LYS A 89 -12.755 0.366 -2.438 1.00 31.12 C ATOM 1072 CD LYS A 89 -12.542 -0.579 -3.623 1.00 33.23 C ATOM 1073 CE LYS A 89 -13.387 -0.187 -4.821 1.00 14.33 C ATOM 1074 NZ LYS A 89 -13.383 -1.239 -5.862 1.00 73.13 N ATOM 0 H LYS A 89 -9.959 -1.137 -2.567 1.00 70.14 H new ATOM 0 HA LYS A 89 -10.404 1.480 -1.311 1.00 10.41 H new ATOM 0 HB2 LYS A 89 -11.951 -1.086 -1.063 1.00 11.54 H new ATOM 0 HB3 LYS A 89 -12.327 0.460 -0.327 1.00 11.54 H new ATOM 0 HG2 LYS A 89 -13.807 0.353 -2.153 1.00 31.12 H new ATOM 0 HG3 LYS A 89 -12.521 1.385 -2.745 1.00 31.12 H new ATOM 0 HD2 LYS A 89 -11.489 -0.575 -3.905 1.00 33.23 H new ATOM 0 HD3 LYS A 89 -12.788 -1.598 -3.323 1.00 33.23 H new ATOM 0 HE2 LYS A 89 -14.411 0.001 -4.498 1.00 14.33 H new ATOM 0 HE3 LYS A 89 -13.010 0.744 -5.243 1.00 14.33 H new ATOM 0 HZ1 LYS A 89 -13.732 -0.842 -6.758 1.00 73.13 H new ATOM 0 HZ2 LYS A 89 -12.414 -1.593 -5.994 1.00 73.13 H new ATOM 0 HZ3 LYS A 89 -14.000 -2.022 -5.567 1.00 73.13 H new ATOM 1088 N GLU A 90 -9.063 0.808 0.655 1.00 12.12 N ATOM 1089 CA GLU A 90 -8.095 0.486 1.662 1.00 33.12 C ATOM 1090 C GLU A 90 -8.382 1.190 2.963 1.00 2.24 C ATOM 1091 O GLU A 90 -9.087 2.205 3.005 1.00 63.10 O ATOM 1092 CB GLU A 90 -6.707 0.900 1.163 1.00 55.42 C ATOM 1093 CG GLU A 90 -6.623 2.380 0.798 1.00 22.14 C ATOM 1094 CD GLU A 90 -5.243 2.814 0.363 1.00 61.51 C ATOM 1095 OE1 GLU A 90 -4.426 3.176 1.232 1.00 73.31 O ATOM 1096 OE2 GLU A 90 -4.947 2.803 -0.855 1.00 52.34 O ATOM 0 H GLU A 90 -9.285 1.801 0.587 1.00 12.12 H new ATOM 0 HA GLU A 90 -8.140 -0.587 1.846 1.00 33.12 H new ATOM 0 HB2 GLU A 90 -5.969 0.679 1.934 1.00 55.42 H new ATOM 0 HB3 GLU A 90 -6.447 0.301 0.291 1.00 55.42 H new ATOM 0 HG2 GLU A 90 -7.331 2.589 -0.004 1.00 22.14 H new ATOM 0 HG3 GLU A 90 -6.929 2.976 1.657 1.00 22.14 H new ATOM 1103 N ARG A 91 -7.856 0.631 4.010 1.00 64.52 N ATOM 1104 CA ARG A 91 -7.939 1.186 5.326 1.00 43.22 C ATOM 1105 C ARG A 91 -6.590 1.056 6.023 1.00 14.25 C ATOM 1106 O ARG A 91 -6.017 -0.040 6.058 1.00 40.11 O ATOM 1107 CB ARG A 91 -9.033 0.473 6.121 1.00 32.34 C ATOM 1108 CG ARG A 91 -9.083 0.836 7.587 1.00 73.32 C ATOM 1109 CD ARG A 91 -10.229 0.138 8.284 1.00 4.10 C ATOM 1110 NE ARG A 91 -10.168 0.334 9.726 1.00 13.23 N ATOM 1111 CZ ARG A 91 -11.152 0.827 10.487 1.00 15.24 C ATOM 1112 NH1 ARG A 91 -12.292 1.241 9.934 1.00 4.14 N ATOM 1113 NH2 ARG A 91 -10.992 0.919 11.793 1.00 42.31 N ATOM 0 H ARG A 91 -7.342 -0.249 3.971 1.00 64.52 H new ATOM 0 HA ARG A 91 -8.195 2.243 5.261 1.00 43.22 H new ATOM 0 HB2 ARG A 91 -9.999 0.701 5.670 1.00 32.34 H new ATOM 0 HB3 ARG A 91 -8.886 -0.603 6.031 1.00 32.34 H new ATOM 0 HG2 ARG A 91 -8.142 0.562 8.065 1.00 73.32 H new ATOM 0 HG3 ARG A 91 -9.192 1.915 7.694 1.00 73.32 H new ATOM 0 HD2 ARG A 91 -11.176 0.519 7.903 1.00 4.10 H new ATOM 0 HD3 ARG A 91 -10.200 -0.928 8.058 1.00 4.10 H new ATOM 0 HE ARG A 91 -9.301 0.073 10.196 1.00 13.23 H new ATOM 0 HH11 ARG A 91 -12.419 1.183 8.924 1.00 4.14 H new ATOM 0 HH12 ARG A 91 -13.037 1.616 10.521 1.00 4.14 H new ATOM 0 HH21 ARG A 91 -10.118 0.614 12.222 1.00 42.31 H new ATOM 0 HH22 ARG A 91 -11.742 1.295 12.373 1.00 42.31 H new ATOM 1127 N ILE A 92 -6.072 2.157 6.547 1.00 31.21 N ATOM 1128 CA ILE A 92 -4.825 2.106 7.300 1.00 31.40 C ATOM 1129 C ILE A 92 -5.095 1.567 8.701 1.00 61.25 C ATOM 1130 O ILE A 92 -5.904 2.129 9.452 1.00 14.31 O ATOM 1131 CB ILE A 92 -4.122 3.497 7.376 1.00 53.12 C ATOM 1132 CG1 ILE A 92 -3.693 3.949 5.964 1.00 44.24 C ATOM 1133 CG2 ILE A 92 -2.926 3.472 8.344 1.00 21.32 C ATOM 1134 CD1 ILE A 92 -2.960 5.279 5.924 1.00 22.02 C ATOM 0 H ILE A 92 -6.488 3.085 6.467 1.00 31.21 H new ATOM 0 HA ILE A 92 -4.145 1.436 6.773 1.00 31.40 H new ATOM 0 HB ILE A 92 -4.835 4.222 7.770 1.00 53.12 H new ATOM 0 HG12 ILE A 92 -3.052 3.182 5.530 1.00 44.24 H new ATOM 0 HG13 ILE A 92 -4.579 4.018 5.333 1.00 44.24 H new ATOM 0 HG21 ILE A 92 -2.460 4.457 8.372 1.00 21.32 H new ATOM 0 HG22 ILE A 92 -3.272 3.205 9.343 1.00 21.32 H new ATOM 0 HG23 ILE A 92 -2.198 2.736 8.004 1.00 21.32 H new ATOM 0 HD11 ILE A 92 -2.696 5.518 4.894 1.00 22.02 H new ATOM 0 HD12 ILE A 92 -3.604 6.062 6.325 1.00 22.02 H new ATOM 0 HD13 ILE A 92 -2.053 5.213 6.525 1.00 22.02 H new ATOM 1146 N GLU A 93 -4.415 0.496 9.044 1.00 14.43 N ATOM 1147 CA GLU A 93 -4.624 -0.190 10.309 1.00 42.20 C ATOM 1148 C GLU A 93 -3.598 0.152 11.362 1.00 43.22 C ATOM 1149 O GLU A 93 -3.936 0.311 12.540 1.00 62.02 O ATOM 1150 CB GLU A 93 -4.674 -1.686 10.083 1.00 73.53 C ATOM 1151 CG GLU A 93 -5.926 -2.124 9.384 1.00 1.53 C ATOM 1152 CD GLU A 93 -7.125 -1.886 10.251 1.00 54.32 C ATOM 1153 OE1 GLU A 93 -7.724 -0.799 10.190 1.00 54.33 O ATOM 1154 OE2 GLU A 93 -7.470 -2.790 11.023 1.00 73.33 O ATOM 0 H GLU A 93 -3.698 0.071 8.455 1.00 14.43 H new ATOM 0 HA GLU A 93 -5.580 0.161 10.698 1.00 42.20 H new ATOM 0 HB2 GLU A 93 -3.809 -1.989 9.494 1.00 73.53 H new ATOM 0 HB3 GLU A 93 -4.601 -2.197 11.043 1.00 73.53 H new ATOM 0 HG2 GLU A 93 -6.035 -1.579 8.446 1.00 1.53 H new ATOM 0 HG3 GLU A 93 -5.857 -3.182 9.132 1.00 1.53 H new ATOM 1161 N ALA A 94 -2.367 0.257 10.963 1.00 53.12 N ATOM 1162 CA ALA A 94 -1.301 0.549 11.882 1.00 44.40 C ATOM 1163 C ALA A 94 -0.185 1.209 11.148 1.00 24.42 C ATOM 1164 O ALA A 94 0.071 0.874 9.995 1.00 31.52 O ATOM 1165 CB ALA A 94 -0.800 -0.731 12.549 1.00 20.42 C ATOM 0 H ALA A 94 -2.070 0.144 9.994 1.00 53.12 H new ATOM 0 HA ALA A 94 -1.675 1.216 12.658 1.00 44.40 H new ATOM 0 HB1 ALA A 94 0.007 -0.489 13.241 1.00 20.42 H new ATOM 0 HB2 ALA A 94 -1.618 -1.201 13.095 1.00 20.42 H new ATOM 0 HB3 ALA A 94 -0.431 -1.418 11.787 1.00 20.42 H new ATOM 1171 N VAL A 95 0.444 2.153 11.784 1.00 43.22 N ATOM 1172 CA VAL A 95 1.573 2.833 11.215 1.00 62.52 C ATOM 1173 C VAL A 95 2.571 3.213 12.311 1.00 40.32 C ATOM 1174 O VAL A 95 2.225 3.882 13.304 1.00 41.13 O ATOM 1175 CB VAL A 95 1.161 4.075 10.352 1.00 44.15 C ATOM 1176 CG1 VAL A 95 0.390 5.099 11.165 1.00 31.41 C ATOM 1177 CG2 VAL A 95 2.379 4.713 9.686 1.00 31.23 C ATOM 0 H VAL A 95 0.188 2.476 12.717 1.00 43.22 H new ATOM 0 HA VAL A 95 2.058 2.140 10.528 1.00 62.52 H new ATOM 0 HB VAL A 95 0.495 3.714 9.568 1.00 44.15 H new ATOM 0 HG11 VAL A 95 0.124 5.943 10.529 1.00 31.41 H new ATOM 0 HG12 VAL A 95 -0.517 4.642 11.560 1.00 31.41 H new ATOM 0 HG13 VAL A 95 1.009 5.448 11.991 1.00 31.41 H new ATOM 0 HG21 VAL A 95 2.062 5.572 9.094 1.00 31.23 H new ATOM 0 HG22 VAL A 95 3.083 5.040 10.452 1.00 31.23 H new ATOM 0 HG23 VAL A 95 2.862 3.983 9.036 1.00 31.23 H new ATOM 1187 N GLU A 96 3.777 2.763 12.140 1.00 65.32 N ATOM 1188 CA GLU A 96 4.853 3.008 13.056 1.00 31.13 C ATOM 1189 C GLU A 96 5.828 3.977 12.425 1.00 32.22 C ATOM 1190 O GLU A 96 6.525 3.610 11.473 1.00 2.24 O ATOM 1191 CB GLU A 96 5.599 1.707 13.353 1.00 34.35 C ATOM 1192 CG GLU A 96 4.782 0.629 14.039 1.00 61.34 C ATOM 1193 CD GLU A 96 4.334 1.040 15.428 1.00 30.31 C ATOM 1194 OE1 GLU A 96 3.324 1.749 15.560 1.00 31.01 O ATOM 1195 OE2 GLU A 96 5.004 0.670 16.414 1.00 63.13 O ATOM 0 H GLU A 96 4.049 2.198 11.335 1.00 65.32 H new ATOM 0 HA GLU A 96 4.443 3.417 13.980 1.00 31.13 H new ATOM 0 HB2 GLU A 96 5.983 1.306 12.415 1.00 34.35 H new ATOM 0 HB3 GLU A 96 6.462 1.938 13.978 1.00 34.35 H new ATOM 0 HG2 GLU A 96 3.907 0.398 13.431 1.00 61.34 H new ATOM 0 HG3 GLU A 96 5.374 -0.284 14.106 1.00 61.34 H new ATOM 1202 N PRO A 97 5.881 5.227 12.909 1.00 21.12 N ATOM 1203 CA PRO A 97 6.819 6.224 12.401 1.00 44.11 C ATOM 1204 C PRO A 97 8.265 5.777 12.601 1.00 71.42 C ATOM 1205 O PRO A 97 9.076 5.847 11.694 1.00 24.00 O ATOM 1206 CB PRO A 97 6.522 7.467 13.260 1.00 53.02 C ATOM 1207 CG PRO A 97 5.139 7.255 13.758 1.00 64.52 C ATOM 1208 CD PRO A 97 5.010 5.779 13.968 1.00 73.44 C ATOM 0 HA PRO A 97 6.704 6.398 11.331 1.00 44.11 H new ATOM 0 HB2 PRO A 97 7.230 7.559 14.083 1.00 53.02 H new ATOM 0 HB3 PRO A 97 6.596 8.382 12.672 1.00 53.02 H new ATOM 0 HG2 PRO A 97 4.969 7.800 14.687 1.00 64.52 H new ATOM 0 HG3 PRO A 97 4.404 7.615 13.038 1.00 64.52 H new ATOM 0 HD2 PRO A 97 5.341 5.480 14.962 1.00 73.44 H new ATOM 0 HD3 PRO A 97 3.979 5.443 13.861 1.00 73.44 H new ATOM 1216 N ASP A 98 8.561 5.291 13.787 1.00 52.10 N ATOM 1217 CA ASP A 98 9.909 4.872 14.135 1.00 44.32 C ATOM 1218 C ASP A 98 10.245 3.496 13.590 1.00 31.11 C ATOM 1219 O ASP A 98 11.374 3.237 13.196 1.00 14.22 O ATOM 1220 CB ASP A 98 10.116 4.922 15.654 1.00 62.22 C ATOM 1221 CG ASP A 98 11.480 4.433 16.092 1.00 31.43 C ATOM 1222 OD1 ASP A 98 12.460 5.211 16.006 1.00 62.22 O ATOM 1223 OD2 ASP A 98 11.591 3.274 16.531 1.00 64.54 O ATOM 0 H ASP A 98 7.880 5.174 14.537 1.00 52.10 H new ATOM 0 HA ASP A 98 10.595 5.576 13.664 1.00 44.32 H new ATOM 0 HB2 ASP A 98 9.978 5.947 15.998 1.00 62.22 H new ATOM 0 HB3 ASP A 98 9.349 4.317 16.138 1.00 62.22 H new ATOM 1228 N LYS A 99 9.272 2.620 13.546 1.00 34.20 N ATOM 1229 CA LYS A 99 9.543 1.257 13.103 1.00 61.31 C ATOM 1230 C LYS A 99 9.354 1.087 11.596 1.00 71.22 C ATOM 1231 O LYS A 99 9.542 -0.005 11.080 1.00 1.42 O ATOM 1232 CB LYS A 99 8.699 0.239 13.874 1.00 51.05 C ATOM 1233 CG LYS A 99 8.863 0.319 15.376 1.00 31.34 C ATOM 1234 CD LYS A 99 10.277 0.008 15.788 1.00 1.22 C ATOM 1235 CE LYS A 99 10.454 0.097 17.297 1.00 42.42 C ATOM 1236 NZ LYS A 99 10.164 1.456 17.818 1.00 74.30 N ATOM 0 H LYS A 99 8.303 2.810 13.803 1.00 34.20 H new ATOM 0 HA LYS A 99 10.593 1.064 13.321 1.00 61.31 H new ATOM 0 HB2 LYS A 99 7.649 0.389 13.625 1.00 51.05 H new ATOM 0 HB3 LYS A 99 8.965 -0.765 13.542 1.00 51.05 H new ATOM 0 HG2 LYS A 99 8.592 1.317 15.721 1.00 31.34 H new ATOM 0 HG3 LYS A 99 8.179 -0.381 15.857 1.00 31.34 H new ATOM 0 HD2 LYS A 99 10.544 -0.993 15.448 1.00 1.22 H new ATOM 0 HD3 LYS A 99 10.960 0.703 15.299 1.00 1.22 H new ATOM 0 HE2 LYS A 99 9.795 -0.624 17.781 1.00 42.42 H new ATOM 0 HE3 LYS A 99 11.476 -0.180 17.558 1.00 42.42 H new ATOM 0 HZ1 LYS A 99 10.621 1.578 18.744 1.00 74.30 H new ATOM 0 HZ2 LYS A 99 10.531 2.168 17.154 1.00 74.30 H new ATOM 0 HZ3 LYS A 99 9.136 1.576 17.921 1.00 74.30 H new ATOM 1250 N ASN A 100 8.978 2.175 10.908 1.00 5.12 N ATOM 1251 CA ASN A 100 8.803 2.192 9.420 1.00 23.41 C ATOM 1252 C ASN A 100 7.781 1.142 8.978 1.00 3.34 C ATOM 1253 O ASN A 100 7.911 0.555 7.900 1.00 54.11 O ATOM 1254 CB ASN A 100 10.138 1.883 8.713 1.00 51.53 C ATOM 1255 CG ASN A 100 11.281 2.804 9.081 1.00 71.21 C ATOM 1256 OD1 ASN A 100 11.085 3.960 9.424 1.00 2.55 O ATOM 1257 ND2 ASN A 100 12.487 2.301 8.982 1.00 40.43 N ATOM 0 H ASN A 100 8.783 3.073 11.351 1.00 5.12 H new ATOM 0 HA ASN A 100 8.454 3.188 9.147 1.00 23.41 H new ATOM 0 HB2 ASN A 100 10.427 0.858 8.946 1.00 51.53 H new ATOM 0 HB3 ASN A 100 9.982 1.934 7.635 1.00 51.53 H new ATOM 0 HD21 ASN A 100 13.300 2.879 9.194 1.00 40.43 H new ATOM 0 HD22 ASN A 100 12.613 1.331 8.693 1.00 40.43 H new ATOM 1264 N LEU A 101 6.736 0.973 9.749 1.00 12.23 N ATOM 1265 CA LEU A 101 5.786 -0.104 9.524 1.00 21.32 C ATOM 1266 C LEU A 101 4.412 0.453 9.223 1.00 4.54 C ATOM 1267 O LEU A 101 4.003 1.432 9.829 1.00 61.00 O ATOM 1268 CB LEU A 101 5.681 -0.944 10.800 1.00 43.03 C ATOM 1269 CG LEU A 101 4.734 -2.129 10.744 1.00 24.10 C ATOM 1270 CD1 LEU A 101 5.260 -3.189 9.826 1.00 63.21 C ATOM 1271 CD2 LEU A 101 4.444 -2.675 12.124 1.00 73.04 C ATOM 0 H LEU A 101 6.515 1.570 10.546 1.00 12.23 H new ATOM 0 HA LEU A 101 6.131 -0.703 8.681 1.00 21.32 H new ATOM 0 HB2 LEU A 101 6.676 -1.312 11.051 1.00 43.03 H new ATOM 0 HB3 LEU A 101 5.367 -0.292 11.615 1.00 43.03 H new ATOM 0 HG LEU A 101 3.785 -1.780 10.336 1.00 24.10 H new ATOM 0 HD11 LEU A 101 4.564 -4.028 9.802 1.00 63.21 H new ATOM 0 HD12 LEU A 101 5.369 -2.779 8.822 1.00 63.21 H new ATOM 0 HD13 LEU A 101 6.230 -3.532 10.185 1.00 63.21 H new ATOM 0 HD21 LEU A 101 3.763 -3.522 12.044 1.00 73.04 H new ATOM 0 HD22 LEU A 101 5.374 -3.000 12.590 1.00 73.04 H new ATOM 0 HD23 LEU A 101 3.985 -1.897 12.734 1.00 73.04 H new ATOM 1283 N ILE A 102 3.714 -0.157 8.290 1.00 35.44 N ATOM 1284 CA ILE A 102 2.364 0.248 7.983 1.00 75.22 C ATOM 1285 C ILE A 102 1.507 -0.936 7.470 1.00 15.53 C ATOM 1286 O ILE A 102 1.880 -1.650 6.532 1.00 65.02 O ATOM 1287 CB ILE A 102 2.325 1.456 7.010 1.00 61.21 C ATOM 1288 CG1 ILE A 102 0.874 1.879 6.700 1.00 54.22 C ATOM 1289 CG2 ILE A 102 3.098 1.140 5.748 1.00 22.11 C ATOM 1290 CD1 ILE A 102 0.760 3.125 5.843 1.00 13.11 C ATOM 0 H ILE A 102 4.062 -0.936 7.731 1.00 35.44 H new ATOM 0 HA ILE A 102 1.915 0.583 8.918 1.00 75.22 H new ATOM 0 HB ILE A 102 2.806 2.305 7.495 1.00 61.21 H new ATOM 0 HG12 ILE A 102 0.368 1.057 6.195 1.00 54.22 H new ATOM 0 HG13 ILE A 102 0.348 2.048 7.640 1.00 54.22 H new ATOM 0 HG21 ILE A 102 3.062 1.997 5.075 1.00 22.11 H new ATOM 0 HG22 ILE A 102 4.135 0.922 6.002 1.00 22.11 H new ATOM 0 HG23 ILE A 102 2.654 0.274 5.257 1.00 22.11 H new ATOM 0 HD11 ILE A 102 -0.292 3.354 5.672 1.00 13.11 H new ATOM 0 HD12 ILE A 102 1.235 3.963 6.354 1.00 13.11 H new ATOM 0 HD13 ILE A 102 1.255 2.955 4.887 1.00 13.11 H new ATOM 1302 N THR A 103 0.409 -1.146 8.135 1.00 22.21 N ATOM 1303 CA THR A 103 -0.547 -2.194 7.817 1.00 52.14 C ATOM 1304 C THR A 103 -1.764 -1.629 7.008 1.00 22.31 C ATOM 1305 O THR A 103 -2.381 -0.631 7.421 1.00 12.24 O ATOM 1306 CB THR A 103 -1.073 -2.796 9.143 1.00 63.03 C ATOM 1307 OG1 THR A 103 0.035 -3.194 9.964 1.00 72.32 O ATOM 1308 CG2 THR A 103 -1.955 -4.002 8.893 1.00 24.34 C ATOM 0 H THR A 103 0.136 -0.582 8.940 1.00 22.21 H new ATOM 0 HA THR A 103 -0.048 -2.948 7.209 1.00 52.14 H new ATOM 0 HB THR A 103 -1.665 -2.031 9.645 1.00 63.03 H new ATOM 0 HG1 THR A 103 -0.299 -3.573 10.803 1.00 72.32 H new ATOM 0 HG21 THR A 103 -2.307 -4.399 9.845 1.00 24.34 H new ATOM 0 HG22 THR A 103 -2.810 -3.708 8.285 1.00 24.34 H new ATOM 0 HG23 THR A 103 -1.384 -4.768 8.369 1.00 24.34 H new ATOM 1316 N PHE A 104 -2.102 -2.279 5.872 1.00 30.24 N ATOM 1317 CA PHE A 104 -3.239 -1.901 5.050 1.00 13.00 C ATOM 1318 C PHE A 104 -4.261 -3.026 5.117 1.00 72.01 C ATOM 1319 O PHE A 104 -3.890 -4.197 5.072 1.00 1.41 O ATOM 1320 CB PHE A 104 -2.816 -1.738 3.569 1.00 52.11 C ATOM 1321 CG PHE A 104 -1.744 -0.726 3.314 1.00 22.52 C ATOM 1322 CD1 PHE A 104 -2.053 0.611 3.138 1.00 31.40 C ATOM 1323 CD2 PHE A 104 -0.423 -1.122 3.227 1.00 11.02 C ATOM 1324 CE1 PHE A 104 -1.059 1.534 2.882 1.00 50.13 C ATOM 1325 CE2 PHE A 104 0.569 -0.207 2.976 1.00 53.32 C ATOM 1326 CZ PHE A 104 0.257 1.120 2.802 1.00 24.41 C ATOM 0 H PHE A 104 -1.584 -3.080 5.512 1.00 30.24 H new ATOM 0 HA PHE A 104 -3.644 -0.957 5.416 1.00 13.00 H new ATOM 0 HB2 PHE A 104 -2.475 -2.705 3.198 1.00 52.11 H new ATOM 0 HB3 PHE A 104 -3.695 -1.465 2.986 1.00 52.11 H new ATOM 0 HD1 PHE A 104 -3.081 0.935 3.201 1.00 31.40 H new ATOM 0 HD2 PHE A 104 -0.168 -2.163 3.358 1.00 11.02 H new ATOM 0 HE1 PHE A 104 -1.309 2.576 2.745 1.00 50.13 H new ATOM 0 HE2 PHE A 104 1.597 -0.531 2.915 1.00 53.32 H new ATOM 0 HZ PHE A 104 1.039 1.838 2.603 1.00 24.41 H new ATOM 1336 N ARG A 105 -5.510 -2.691 5.244 1.00 13.54 N ATOM 1337 CA ARG A 105 -6.566 -3.691 5.204 1.00 13.03 C ATOM 1338 C ARG A 105 -7.322 -3.501 3.914 1.00 30.40 C ATOM 1339 O ARG A 105 -7.571 -2.348 3.519 1.00 3.23 O ATOM 1340 CB ARG A 105 -7.571 -3.488 6.352 1.00 52.41 C ATOM 1341 CG ARG A 105 -8.665 -4.558 6.381 1.00 40.43 C ATOM 1342 CD ARG A 105 -9.857 -4.165 7.244 1.00 33.31 C ATOM 1343 NE ARG A 105 -9.519 -3.871 8.635 1.00 1.12 N ATOM 1344 CZ ARG A 105 -10.424 -3.683 9.612 1.00 62.32 C ATOM 1345 NH1 ARG A 105 -11.729 -3.829 9.370 1.00 1.05 N ATOM 1346 NH2 ARG A 105 -10.022 -3.361 10.821 1.00 61.12 N ATOM 0 H ARG A 105 -5.836 -1.734 5.377 1.00 13.54 H new ATOM 0 HA ARG A 105 -6.117 -4.681 5.290 1.00 13.03 H new ATOM 0 HB2 ARG A 105 -7.037 -3.496 7.302 1.00 52.41 H new ATOM 0 HB3 ARG A 105 -8.033 -2.506 6.254 1.00 52.41 H new ATOM 0 HG2 ARG A 105 -9.007 -4.748 5.364 1.00 40.43 H new ATOM 0 HG3 ARG A 105 -8.244 -5.491 6.756 1.00 40.43 H new ATOM 0 HD2 ARG A 105 -10.336 -3.289 6.805 1.00 33.31 H new ATOM 0 HD3 ARG A 105 -10.589 -4.973 7.223 1.00 33.31 H new ATOM 0 HE ARG A 105 -8.531 -3.804 8.881 1.00 1.12 H new ATOM 0 HH11 ARG A 105 -12.049 -4.086 8.436 1.00 1.05 H new ATOM 0 HH12 ARG A 105 -12.406 -3.684 10.119 1.00 1.05 H new ATOM 0 HH21 ARG A 105 -9.026 -3.254 11.016 1.00 61.12 H new ATOM 0 HH22 ARG A 105 -10.705 -3.218 11.564 1.00 61.12 H new ATOM 1360 N VAL A 106 -7.687 -4.580 3.236 1.00 2.43 N ATOM 1361 CA VAL A 106 -8.512 -4.418 2.086 1.00 72.20 C ATOM 1362 C VAL A 106 -9.956 -4.363 2.585 1.00 61.22 C ATOM 1363 O VAL A 106 -10.385 -5.205 3.386 1.00 32.14 O ATOM 1364 CB VAL A 106 -8.324 -5.559 1.023 1.00 21.43 C ATOM 1365 CG1 VAL A 106 -8.805 -6.890 1.530 1.00 42.42 C ATOM 1366 CG2 VAL A 106 -8.990 -5.197 -0.297 1.00 20.12 C ATOM 0 H VAL A 106 -7.427 -5.539 3.465 1.00 2.43 H new ATOM 0 HA VAL A 106 -8.232 -3.502 1.566 1.00 72.20 H new ATOM 0 HB VAL A 106 -7.253 -5.655 0.844 1.00 21.43 H new ATOM 0 HG11 VAL A 106 -8.655 -7.648 0.761 1.00 42.42 H new ATOM 0 HG12 VAL A 106 -8.244 -7.163 2.424 1.00 42.42 H new ATOM 0 HG13 VAL A 106 -9.865 -6.825 1.773 1.00 42.42 H new ATOM 0 HG21 VAL A 106 -8.843 -6.006 -1.013 1.00 20.12 H new ATOM 0 HG22 VAL A 106 -10.057 -5.044 -0.136 1.00 20.12 H new ATOM 0 HG23 VAL A 106 -8.547 -4.281 -0.689 1.00 20.12 H new ATOM 1376 N ILE A 107 -10.672 -3.365 2.201 1.00 14.13 N ATOM 1377 CA ILE A 107 -12.044 -3.254 2.640 1.00 44.14 C ATOM 1378 C ILE A 107 -12.988 -3.703 1.539 1.00 11.32 C ATOM 1379 O ILE A 107 -14.027 -4.318 1.799 1.00 43.10 O ATOM 1380 CB ILE A 107 -12.380 -1.831 3.115 1.00 23.42 C ATOM 1381 CG1 ILE A 107 -12.159 -0.861 1.994 1.00 40.13 C ATOM 1382 CG2 ILE A 107 -11.507 -1.460 4.310 1.00 5.33 C ATOM 1383 CD1 ILE A 107 -12.447 0.544 2.328 1.00 43.52 C ATOM 0 H ILE A 107 -10.348 -2.615 1.591 1.00 14.13 H new ATOM 0 HA ILE A 107 -12.174 -3.913 3.498 1.00 44.14 H new ATOM 0 HB ILE A 107 -13.426 -1.792 3.420 1.00 23.42 H new ATOM 0 HG12 ILE A 107 -11.122 -0.937 1.666 1.00 40.13 H new ATOM 0 HG13 ILE A 107 -12.783 -1.154 1.150 1.00 40.13 H new ATOM 0 HG21 ILE A 107 -11.752 -0.450 4.640 1.00 5.33 H new ATOM 0 HG22 ILE A 107 -11.688 -2.162 5.124 1.00 5.33 H new ATOM 0 HG23 ILE A 107 -10.457 -1.503 4.021 1.00 5.33 H new ATOM 0 HD11 ILE A 107 -12.259 1.171 1.457 1.00 43.52 H new ATOM 0 HD12 ILE A 107 -13.491 0.641 2.626 1.00 43.52 H new ATOM 0 HD13 ILE A 107 -11.805 0.862 3.149 1.00 43.52 H new ATOM 1395 N GLU A 108 -12.604 -3.412 0.314 1.00 63.14 N ATOM 1396 CA GLU A 108 -13.340 -3.802 -0.858 1.00 2.41 C ATOM 1397 C GLU A 108 -12.304 -3.802 -1.989 1.00 24.01 C ATOM 1398 O GLU A 108 -11.282 -3.113 -1.881 1.00 24.14 O ATOM 1399 CB GLU A 108 -14.452 -2.748 -1.115 1.00 63.45 C ATOM 1400 CG GLU A 108 -15.649 -3.186 -1.983 1.00 34.02 C ATOM 1401 CD GLU A 108 -15.305 -3.640 -3.371 1.00 24.21 C ATOM 1402 OE1 GLU A 108 -15.181 -2.791 -4.282 1.00 44.15 O ATOM 1403 OE2 GLU A 108 -15.160 -4.862 -3.571 1.00 32.31 O ATOM 0 H GLU A 108 -11.754 -2.887 0.107 1.00 63.14 H new ATOM 0 HA GLU A 108 -13.823 -4.775 -0.768 1.00 2.41 H new ATOM 0 HB2 GLU A 108 -14.837 -2.420 -0.149 1.00 63.45 H new ATOM 0 HB3 GLU A 108 -13.992 -1.880 -1.587 1.00 63.45 H new ATOM 0 HG2 GLU A 108 -16.169 -3.996 -1.472 1.00 34.02 H new ATOM 0 HG3 GLU A 108 -16.349 -2.353 -2.054 1.00 34.02 H new ATOM 1410 N GLY A 109 -12.525 -4.560 -3.019 1.00 24.25 N ATOM 1411 CA GLY A 109 -11.600 -4.590 -4.101 1.00 41.13 C ATOM 1412 C GLY A 109 -11.592 -5.912 -4.805 1.00 43.03 C ATOM 1413 O GLY A 109 -12.139 -6.893 -4.299 1.00 32.53 O ATOM 0 H GLY A 109 -13.339 -5.165 -3.130 1.00 24.25 H new ATOM 0 HA2 GLY A 109 -11.851 -3.803 -4.813 1.00 41.13 H new ATOM 0 HA3 GLY A 109 -10.599 -4.374 -3.727 1.00 41.13 H new ATOM 1417 N ASP A 110 -10.956 -5.930 -5.960 1.00 73.31 N ATOM 1418 CA ASP A 110 -10.809 -7.122 -6.819 1.00 20.23 C ATOM 1419 C ASP A 110 -10.261 -8.325 -6.039 1.00 5.35 C ATOM 1420 O ASP A 110 -10.669 -9.461 -6.259 1.00 61.45 O ATOM 1421 CB ASP A 110 -9.866 -6.781 -7.981 1.00 12.41 C ATOM 1422 CG ASP A 110 -9.605 -7.941 -8.918 1.00 61.15 C ATOM 1423 OD1 ASP A 110 -8.651 -8.698 -8.688 1.00 73.24 O ATOM 1424 OD2 ASP A 110 -10.328 -8.085 -9.926 1.00 61.01 O ATOM 0 H ASP A 110 -10.510 -5.100 -6.351 1.00 73.31 H new ATOM 0 HA ASP A 110 -11.794 -7.399 -7.195 1.00 20.23 H new ATOM 0 HB2 ASP A 110 -10.291 -5.955 -8.551 1.00 12.41 H new ATOM 0 HB3 ASP A 110 -8.916 -6.433 -7.575 1.00 12.41 H new ATOM 1429 N LEU A 111 -9.372 -8.048 -5.096 1.00 75.23 N ATOM 1430 CA LEU A 111 -8.726 -9.086 -4.288 1.00 31.22 C ATOM 1431 C LEU A 111 -9.741 -9.878 -3.450 1.00 52.30 C ATOM 1432 O LEU A 111 -9.511 -11.032 -3.123 1.00 55.10 O ATOM 1433 CB LEU A 111 -7.616 -8.500 -3.371 1.00 52.33 C ATOM 1434 CG LEU A 111 -6.389 -7.825 -4.047 1.00 33.43 C ATOM 1435 CD1 LEU A 111 -5.729 -8.750 -5.059 1.00 21.45 C ATOM 1436 CD2 LEU A 111 -6.732 -6.472 -4.666 1.00 3.22 C ATOM 0 H LEU A 111 -9.075 -7.100 -4.865 1.00 75.23 H new ATOM 0 HA LEU A 111 -8.258 -9.773 -4.993 1.00 31.22 H new ATOM 0 HB2 LEU A 111 -8.080 -7.765 -2.713 1.00 52.33 H new ATOM 0 HB3 LEU A 111 -7.246 -9.306 -2.738 1.00 52.33 H new ATOM 0 HG LEU A 111 -5.666 -7.631 -3.255 1.00 33.43 H new ATOM 0 HD11 LEU A 111 -4.876 -8.245 -5.511 1.00 21.45 H new ATOM 0 HD12 LEU A 111 -5.390 -9.656 -4.557 1.00 21.45 H new ATOM 0 HD13 LEU A 111 -6.448 -9.013 -5.835 1.00 21.45 H new ATOM 0 HD21 LEU A 111 -5.840 -6.045 -5.124 1.00 3.22 H new ATOM 0 HD22 LEU A 111 -7.502 -6.604 -5.426 1.00 3.22 H new ATOM 0 HD23 LEU A 111 -7.099 -5.800 -3.891 1.00 3.22 H new ATOM 1448 N MET A 112 -10.879 -9.268 -3.150 1.00 60.23 N ATOM 1449 CA MET A 112 -11.917 -9.915 -2.330 1.00 1.00 C ATOM 1450 C MET A 112 -12.618 -11.046 -3.115 1.00 14.21 C ATOM 1451 O MET A 112 -13.400 -11.805 -2.559 1.00 5.50 O ATOM 1452 CB MET A 112 -12.965 -8.892 -1.864 1.00 75.10 C ATOM 1453 CG MET A 112 -12.498 -7.771 -0.902 1.00 3.54 C ATOM 1454 SD MET A 112 -12.412 -8.208 0.888 1.00 52.24 S ATOM 1455 CE MET A 112 -11.078 -9.403 1.016 1.00 20.31 C ATOM 0 H MET A 112 -11.116 -8.325 -3.458 1.00 60.23 H new ATOM 0 HA MET A 112 -11.423 -10.342 -1.457 1.00 1.00 H new ATOM 0 HB2 MET A 112 -13.389 -8.419 -2.750 1.00 75.10 H new ATOM 0 HB3 MET A 112 -13.773 -9.438 -1.376 1.00 75.10 H new ATOM 0 HG2 MET A 112 -11.510 -7.438 -1.220 1.00 3.54 H new ATOM 0 HG3 MET A 112 -13.172 -6.922 -1.014 1.00 3.54 H new ATOM 0 HE1 MET A 112 -10.519 -9.228 1.935 1.00 20.31 H new ATOM 0 HE2 MET A 112 -11.493 -10.411 1.030 1.00 20.31 H new ATOM 0 HE3 MET A 112 -10.411 -9.297 0.160 1.00 20.31 H new ATOM 1465 N LYS A 113 -12.336 -11.143 -4.412 1.00 22.15 N ATOM 1466 CA LYS A 113 -12.946 -12.181 -5.242 1.00 2.11 C ATOM 1467 C LYS A 113 -12.116 -13.458 -5.198 1.00 12.31 C ATOM 1468 O LYS A 113 -12.546 -14.519 -5.673 1.00 23.22 O ATOM 1469 CB LYS A 113 -13.100 -11.701 -6.694 1.00 4.53 C ATOM 1470 CG LYS A 113 -13.929 -10.429 -6.848 1.00 11.10 C ATOM 1471 CD LYS A 113 -15.324 -10.597 -6.271 1.00 20.11 C ATOM 1472 CE LYS A 113 -16.135 -9.323 -6.412 1.00 55.40 C ATOM 1473 NZ LYS A 113 -17.464 -9.452 -5.785 1.00 61.11 N ATOM 0 H LYS A 113 -11.696 -10.523 -4.908 1.00 22.15 H new ATOM 0 HA LYS A 113 -13.937 -12.393 -4.841 1.00 2.11 H new ATOM 0 HB2 LYS A 113 -12.109 -11.529 -7.115 1.00 4.53 H new ATOM 0 HB3 LYS A 113 -13.562 -12.495 -7.280 1.00 4.53 H new ATOM 0 HG2 LYS A 113 -13.425 -9.603 -6.347 1.00 11.10 H new ATOM 0 HG3 LYS A 113 -14.000 -10.166 -7.903 1.00 11.10 H new ATOM 0 HD2 LYS A 113 -15.835 -11.414 -6.780 1.00 20.11 H new ATOM 0 HD3 LYS A 113 -15.254 -10.872 -5.218 1.00 20.11 H new ATOM 0 HE2 LYS A 113 -15.595 -8.495 -5.953 1.00 55.40 H new ATOM 0 HE3 LYS A 113 -16.253 -9.081 -7.468 1.00 55.40 H new ATOM 0 HZ1 LYS A 113 -17.990 -8.563 -5.901 1.00 61.11 H new ATOM 0 HZ2 LYS A 113 -17.989 -10.226 -6.240 1.00 61.11 H new ATOM 0 HZ3 LYS A 113 -17.351 -9.658 -4.772 1.00 61.11 H new ATOM 1487 N GLU A 114 -10.939 -13.357 -4.633 1.00 10.11 N ATOM 1488 CA GLU A 114 -10.035 -14.494 -4.525 1.00 10.03 C ATOM 1489 C GLU A 114 -9.732 -14.771 -3.059 1.00 1.14 C ATOM 1490 O GLU A 114 -9.595 -15.931 -2.631 1.00 74.11 O ATOM 1491 CB GLU A 114 -8.734 -14.205 -5.291 1.00 3.33 C ATOM 1492 CG GLU A 114 -8.939 -13.932 -6.771 1.00 64.01 C ATOM 1493 CD GLU A 114 -7.670 -13.526 -7.499 1.00 12.02 C ATOM 1494 OE1 GLU A 114 -7.312 -12.336 -7.455 1.00 23.10 O ATOM 1495 OE2 GLU A 114 -7.049 -14.375 -8.168 1.00 71.21 O ATOM 0 H GLU A 114 -10.574 -12.492 -4.234 1.00 10.11 H new ATOM 0 HA GLU A 114 -10.510 -15.373 -4.961 1.00 10.03 H new ATOM 0 HB2 GLU A 114 -8.240 -13.345 -4.838 1.00 3.33 H new ATOM 0 HB3 GLU A 114 -8.061 -15.055 -5.178 1.00 3.33 H new ATOM 0 HG2 GLU A 114 -9.348 -14.825 -7.243 1.00 64.01 H new ATOM 0 HG3 GLU A 114 -9.682 -13.143 -6.886 1.00 64.01 H new ATOM 1502 N TYR A 115 -9.645 -13.708 -2.291 1.00 12.45 N ATOM 1503 CA TYR A 115 -9.320 -13.788 -0.893 1.00 53.22 C ATOM 1504 C TYR A 115 -10.455 -13.166 -0.139 1.00 33.50 C ATOM 1505 O TYR A 115 -10.893 -12.091 -0.477 1.00 74.44 O ATOM 1506 CB TYR A 115 -8.010 -13.010 -0.631 1.00 12.42 C ATOM 1507 CG TYR A 115 -6.991 -13.328 -1.684 1.00 43.40 C ATOM 1508 CD1 TYR A 115 -6.306 -14.525 -1.678 1.00 10.52 C ATOM 1509 CD2 TYR A 115 -6.780 -12.452 -2.741 1.00 24.34 C ATOM 1510 CE1 TYR A 115 -5.451 -14.846 -2.697 1.00 24.22 C ATOM 1511 CE2 TYR A 115 -5.908 -12.763 -3.755 1.00 11.30 C ATOM 1512 CZ TYR A 115 -5.255 -13.968 -3.726 1.00 71.22 C ATOM 1513 OH TYR A 115 -4.434 -14.325 -4.748 1.00 1.12 O ATOM 0 H TYR A 115 -9.800 -12.757 -2.627 1.00 12.45 H new ATOM 0 HA TYR A 115 -9.175 -14.821 -0.575 1.00 53.22 H new ATOM 0 HB2 TYR A 115 -8.212 -11.939 -0.623 1.00 12.42 H new ATOM 0 HB3 TYR A 115 -7.618 -13.268 0.353 1.00 12.42 H new ATOM 0 HD1 TYR A 115 -6.446 -15.216 -0.860 1.00 10.52 H new ATOM 0 HD2 TYR A 115 -7.310 -11.511 -2.766 1.00 24.34 H new ATOM 0 HE1 TYR A 115 -4.931 -15.793 -2.688 1.00 24.22 H new ATOM 0 HE2 TYR A 115 -5.739 -12.068 -4.564 1.00 11.30 H new ATOM 0 HH TYR A 115 -4.279 -13.551 -5.329 1.00 1.12 H new ATOM 1523 N LYS A 116 -10.927 -13.833 0.870 1.00 54.44 N ATOM 1524 CA LYS A 116 -12.066 -13.341 1.645 1.00 55.52 C ATOM 1525 C LYS A 116 -11.608 -12.448 2.782 1.00 42.14 C ATOM 1526 O LYS A 116 -12.406 -11.966 3.580 1.00 24.00 O ATOM 1527 CB LYS A 116 -12.908 -14.508 2.146 1.00 23.22 C ATOM 1528 CG LYS A 116 -12.115 -15.552 2.913 1.00 43.54 C ATOM 1529 CD LYS A 116 -12.968 -16.745 3.303 1.00 0.24 C ATOM 1530 CE LYS A 116 -14.100 -16.356 4.239 1.00 15.33 C ATOM 1531 NZ LYS A 116 -14.883 -17.528 4.669 1.00 22.04 N ATOM 0 H LYS A 116 -10.551 -14.725 1.191 1.00 54.44 H new ATOM 0 HA LYS A 116 -12.693 -12.732 0.994 1.00 55.52 H new ATOM 0 HB2 LYS A 116 -13.700 -14.123 2.788 1.00 23.22 H new ATOM 0 HB3 LYS A 116 -13.392 -14.986 1.295 1.00 23.22 H new ATOM 0 HG2 LYS A 116 -11.277 -15.890 2.303 1.00 43.54 H new ATOM 0 HG3 LYS A 116 -11.694 -15.099 3.811 1.00 43.54 H new ATOM 0 HD2 LYS A 116 -13.382 -17.203 2.405 1.00 0.24 H new ATOM 0 HD3 LYS A 116 -12.342 -17.496 3.784 1.00 0.24 H new ATOM 0 HE2 LYS A 116 -13.691 -15.852 5.114 1.00 15.33 H new ATOM 0 HE3 LYS A 116 -14.757 -15.644 3.739 1.00 15.33 H new ATOM 0 HZ1 LYS A 116 -15.646 -17.221 5.306 1.00 22.04 H new ATOM 0 HZ2 LYS A 116 -15.295 -17.995 3.836 1.00 22.04 H new ATOM 0 HZ3 LYS A 116 -14.262 -18.196 5.169 1.00 22.04 H new ATOM 1545 N SER A 117 -10.322 -12.235 2.824 1.00 32.33 N ATOM 1546 CA SER A 117 -9.675 -11.394 3.779 1.00 60.41 C ATOM 1547 C SER A 117 -8.253 -11.220 3.321 1.00 62.42 C ATOM 1548 O SER A 117 -7.656 -12.174 2.796 1.00 35.12 O ATOM 1549 CB SER A 117 -9.746 -12.025 5.160 1.00 3.11 C ATOM 1550 OG SER A 117 -9.081 -11.251 6.147 1.00 11.40 O ATOM 0 H SER A 117 -9.673 -12.663 2.164 1.00 32.33 H new ATOM 0 HA SER A 117 -10.163 -10.422 3.850 1.00 60.41 H new ATOM 0 HB2 SER A 117 -10.791 -12.151 5.445 1.00 3.11 H new ATOM 0 HB3 SER A 117 -9.303 -13.020 5.124 1.00 3.11 H new ATOM 0 HG SER A 117 -9.156 -11.696 7.017 1.00 11.40 H new ATOM 1556 N PHE A 118 -7.729 -10.032 3.474 1.00 32.02 N ATOM 1557 CA PHE A 118 -6.409 -9.711 3.001 1.00 2.23 C ATOM 1558 C PHE A 118 -5.855 -8.542 3.800 1.00 71.34 C ATOM 1559 O PHE A 118 -6.405 -7.429 3.774 1.00 51.21 O ATOM 1560 CB PHE A 118 -6.479 -9.403 1.485 1.00 0.41 C ATOM 1561 CG PHE A 118 -5.205 -8.987 0.812 1.00 24.02 C ATOM 1562 CD1 PHE A 118 -3.982 -9.475 1.218 1.00 50.13 C ATOM 1563 CD2 PHE A 118 -5.250 -8.088 -0.238 1.00 55.32 C ATOM 1564 CE1 PHE A 118 -2.831 -9.079 0.590 1.00 4.42 C ATOM 1565 CE2 PHE A 118 -4.100 -7.685 -0.872 1.00 43.32 C ATOM 1566 CZ PHE A 118 -2.886 -8.181 -0.458 1.00 23.12 C ATOM 0 H PHE A 118 -8.208 -9.257 3.932 1.00 32.02 H new ATOM 0 HA PHE A 118 -5.732 -10.553 3.142 1.00 2.23 H new ATOM 0 HB2 PHE A 118 -6.856 -10.291 0.977 1.00 0.41 H new ATOM 0 HB3 PHE A 118 -7.215 -8.613 1.334 1.00 0.41 H new ATOM 0 HD1 PHE A 118 -3.931 -10.176 2.038 1.00 50.13 H new ATOM 0 HD2 PHE A 118 -6.203 -7.697 -0.564 1.00 55.32 H new ATOM 0 HE1 PHE A 118 -1.878 -9.470 0.915 1.00 4.42 H new ATOM 0 HE2 PHE A 118 -4.149 -6.983 -1.691 1.00 43.32 H new ATOM 0 HZ PHE A 118 -1.977 -7.869 -0.951 1.00 23.12 H new ATOM 1576 N LEU A 119 -4.801 -8.807 4.521 1.00 42.43 N ATOM 1577 CA LEU A 119 -4.164 -7.819 5.339 1.00 11.21 C ATOM 1578 C LEU A 119 -2.727 -7.642 4.861 1.00 23.40 C ATOM 1579 O LEU A 119 -1.994 -8.628 4.679 1.00 25.24 O ATOM 1580 CB LEU A 119 -4.182 -8.272 6.800 1.00 14.44 C ATOM 1581 CG LEU A 119 -3.704 -7.253 7.830 1.00 22.43 C ATOM 1582 CD1 LEU A 119 -4.644 -6.057 7.872 1.00 65.21 C ATOM 1583 CD2 LEU A 119 -3.585 -7.895 9.198 1.00 52.10 C ATOM 0 H LEU A 119 -4.358 -9.725 4.556 1.00 42.43 H new ATOM 0 HA LEU A 119 -4.694 -6.870 5.262 1.00 11.21 H new ATOM 0 HB2 LEU A 119 -5.201 -8.564 7.055 1.00 14.44 H new ATOM 0 HB3 LEU A 119 -3.563 -9.165 6.889 1.00 14.44 H new ATOM 0 HG LEU A 119 -2.716 -6.899 7.535 1.00 22.43 H new ATOM 0 HD11 LEU A 119 -4.288 -5.340 8.612 1.00 65.21 H new ATOM 0 HD12 LEU A 119 -4.673 -5.582 6.891 1.00 65.21 H new ATOM 0 HD13 LEU A 119 -5.646 -6.391 8.143 1.00 65.21 H new ATOM 0 HD21 LEU A 119 -3.243 -7.153 9.920 1.00 52.10 H new ATOM 0 HD22 LEU A 119 -4.558 -8.279 9.506 1.00 52.10 H new ATOM 0 HD23 LEU A 119 -2.869 -8.715 9.154 1.00 52.10 H new ATOM 1595 N LEU A 120 -2.328 -6.421 4.651 1.00 2.01 N ATOM 1596 CA LEU A 120 -1.008 -6.134 4.152 1.00 21.44 C ATOM 1597 C LEU A 120 -0.237 -5.417 5.188 1.00 23.12 C ATOM 1598 O LEU A 120 -0.751 -4.531 5.820 1.00 32.44 O ATOM 1599 CB LEU A 120 -1.037 -5.207 2.927 1.00 24.45 C ATOM 1600 CG LEU A 120 -1.899 -5.605 1.743 1.00 15.10 C ATOM 1601 CD1 LEU A 120 -3.394 -5.376 1.993 1.00 25.41 C ATOM 1602 CD2 LEU A 120 -1.430 -4.937 0.475 1.00 71.50 C ATOM 0 H LEU A 120 -2.904 -5.596 4.819 1.00 2.01 H new ATOM 0 HA LEU A 120 -0.563 -7.092 3.882 1.00 21.44 H new ATOM 0 HB2 LEU A 120 -1.366 -4.224 3.262 1.00 24.45 H new ATOM 0 HB3 LEU A 120 -0.013 -5.096 2.570 1.00 24.45 H new ATOM 0 HG LEU A 120 -1.778 -6.681 1.614 1.00 15.10 H new ATOM 0 HD11 LEU A 120 -3.961 -5.678 1.112 1.00 25.41 H new ATOM 0 HD12 LEU A 120 -3.714 -5.967 2.851 1.00 25.41 H new ATOM 0 HD13 LEU A 120 -3.572 -4.319 2.194 1.00 25.41 H new ATOM 0 HD21 LEU A 120 -2.068 -5.242 -0.355 1.00 71.50 H new ATOM 0 HD22 LEU A 120 -1.482 -3.855 0.593 1.00 71.50 H new ATOM 0 HD23 LEU A 120 -0.401 -5.230 0.268 1.00 71.50 H new ATOM 1614 N THR A 121 0.946 -5.805 5.416 1.00 14.41 N ATOM 1615 CA THR A 121 1.789 -5.042 6.250 1.00 61.35 C ATOM 1616 C THR A 121 3.125 -4.849 5.560 1.00 11.42 C ATOM 1617 O THR A 121 3.754 -5.820 5.159 1.00 33.11 O ATOM 1618 CB THR A 121 1.962 -5.683 7.624 1.00 62.33 C ATOM 1619 OG1 THR A 121 0.656 -5.980 8.167 1.00 14.21 O ATOM 1620 CG2 THR A 121 2.632 -4.701 8.538 1.00 44.34 C ATOM 0 H THR A 121 1.364 -6.655 5.036 1.00 14.41 H new ATOM 0 HA THR A 121 1.326 -4.070 6.420 1.00 61.35 H new ATOM 0 HB THR A 121 2.558 -6.591 7.535 1.00 62.33 H new ATOM 0 HG1 THR A 121 0.755 -6.394 9.050 1.00 14.21 H new ATOM 0 HG21 THR A 121 2.760 -5.150 9.523 1.00 44.34 H new ATOM 0 HG22 THR A 121 3.607 -4.433 8.132 1.00 44.34 H new ATOM 0 HG23 THR A 121 2.016 -3.806 8.625 1.00 44.34 H new ATOM 1628 N ILE A 122 3.535 -3.628 5.378 1.00 55.42 N ATOM 1629 CA ILE A 122 4.806 -3.378 4.754 1.00 13.22 C ATOM 1630 C ILE A 122 5.703 -2.662 5.717 1.00 23.00 C ATOM 1631 O ILE A 122 5.226 -1.909 6.585 1.00 33.33 O ATOM 1632 CB ILE A 122 4.701 -2.567 3.432 1.00 25.41 C ATOM 1633 CG1 ILE A 122 4.163 -1.169 3.671 1.00 35.22 C ATOM 1634 CG2 ILE A 122 3.811 -3.287 2.454 1.00 5.32 C ATOM 1635 CD1 ILE A 122 4.142 -0.294 2.425 1.00 62.13 C ATOM 0 H ILE A 122 3.014 -2.794 5.649 1.00 55.42 H new ATOM 0 HA ILE A 122 5.221 -4.350 4.488 1.00 13.22 H new ATOM 0 HB ILE A 122 5.707 -2.477 3.022 1.00 25.41 H new ATOM 0 HG12 ILE A 122 3.151 -1.243 4.068 1.00 35.22 H new ATOM 0 HG13 ILE A 122 4.770 -0.682 4.434 1.00 35.22 H new ATOM 0 HG21 ILE A 122 3.744 -2.711 1.531 1.00 5.32 H new ATOM 0 HG22 ILE A 122 4.228 -4.271 2.238 1.00 5.32 H new ATOM 0 HG23 ILE A 122 2.816 -3.401 2.884 1.00 5.32 H new ATOM 0 HD11 ILE A 122 3.745 0.689 2.677 1.00 62.13 H new ATOM 0 HD12 ILE A 122 5.155 -0.187 2.038 1.00 62.13 H new ATOM 0 HD13 ILE A 122 3.511 -0.757 1.666 1.00 62.13 H new ATOM 1647 N GLN A 123 6.970 -2.904 5.610 1.00 62.41 N ATOM 1648 CA GLN A 123 7.911 -2.259 6.457 1.00 52.45 C ATOM 1649 C GLN A 123 9.169 -1.982 5.667 1.00 15.34 C ATOM 1650 O GLN A 123 9.733 -2.886 5.032 1.00 32.21 O ATOM 1651 CB GLN A 123 8.187 -3.127 7.682 1.00 74.31 C ATOM 1652 CG GLN A 123 8.947 -2.430 8.793 1.00 3.22 C ATOM 1653 CD GLN A 123 9.040 -3.282 10.039 1.00 62.25 C ATOM 1654 OE1 GLN A 123 9.087 -4.506 9.964 1.00 64.40 O ATOM 1655 NE2 GLN A 123 9.021 -2.649 11.191 1.00 23.24 N ATOM 0 H GLN A 123 7.377 -3.552 4.935 1.00 62.41 H new ATOM 0 HA GLN A 123 7.514 -1.309 6.815 1.00 52.45 H new ATOM 0 HB2 GLN A 123 7.237 -3.484 8.079 1.00 74.31 H new ATOM 0 HB3 GLN A 123 8.752 -4.005 7.369 1.00 74.31 H new ATOM 0 HG2 GLN A 123 9.951 -2.184 8.446 1.00 3.22 H new ATOM 0 HG3 GLN A 123 8.454 -1.488 9.034 1.00 3.22 H new ATOM 0 HE21 GLN A 123 8.982 -1.630 11.212 1.00 23.24 H new ATOM 0 HE22 GLN A 123 9.046 -3.177 12.063 1.00 23.24 H new ATOM 1664 N VAL A 124 9.586 -0.746 5.670 1.00 1.43 N ATOM 1665 CA VAL A 124 10.752 -0.337 4.921 1.00 72.45 C ATOM 1666 C VAL A 124 11.951 -0.353 5.847 1.00 4.44 C ATOM 1667 O VAL A 124 11.984 0.370 6.835 1.00 14.54 O ATOM 1668 CB VAL A 124 10.577 1.094 4.337 1.00 3.40 C ATOM 1669 CG1 VAL A 124 11.754 1.466 3.451 1.00 75.31 C ATOM 1670 CG2 VAL A 124 9.266 1.223 3.571 1.00 52.31 C ATOM 0 H VAL A 124 9.133 0.007 6.188 1.00 1.43 H new ATOM 0 HA VAL A 124 10.893 -1.028 4.090 1.00 72.45 H new ATOM 0 HB VAL A 124 10.545 1.791 5.175 1.00 3.40 H new ATOM 0 HG11 VAL A 124 11.608 2.471 3.055 1.00 75.31 H new ATOM 0 HG12 VAL A 124 12.673 1.437 4.036 1.00 75.31 H new ATOM 0 HG13 VAL A 124 11.826 0.758 2.626 1.00 75.31 H new ATOM 0 HG21 VAL A 124 9.174 2.235 3.176 1.00 52.31 H new ATOM 0 HG22 VAL A 124 9.254 0.509 2.748 1.00 52.31 H new ATOM 0 HG23 VAL A 124 8.431 1.018 4.241 1.00 52.31 H new ATOM 1680 N THR A 125 12.915 -1.159 5.557 1.00 35.01 N ATOM 1681 CA THR A 125 14.037 -1.251 6.427 1.00 62.01 C ATOM 1682 C THR A 125 15.322 -0.742 5.829 1.00 2.15 C ATOM 1683 O THR A 125 15.522 -0.760 4.593 1.00 5.33 O ATOM 1684 CB THR A 125 14.252 -2.677 6.964 1.00 73.55 C ATOM 1685 OG1 THR A 125 14.202 -3.635 5.904 1.00 30.31 O ATOM 1686 CG2 THR A 125 13.276 -3.011 8.068 1.00 50.53 C ATOM 0 H THR A 125 12.950 -1.758 4.732 1.00 35.01 H new ATOM 0 HA THR A 125 13.780 -0.592 7.256 1.00 62.01 H new ATOM 0 HB THR A 125 15.250 -2.720 7.401 1.00 73.55 H new ATOM 0 HG1 THR A 125 14.230 -4.540 6.279 1.00 30.31 H new ATOM 0 HG21 THR A 125 13.459 -4.026 8.421 1.00 50.53 H new ATOM 0 HG22 THR A 125 13.406 -2.311 8.893 1.00 50.53 H new ATOM 0 HG23 THR A 125 12.257 -2.938 7.687 1.00 50.53 H new ATOM 1694 N PRO A 126 16.218 -0.272 6.714 1.00 53.43 N ATOM 1695 CA PRO A 126 17.613 0.127 6.389 1.00 22.11 C ATOM 1696 C PRO A 126 18.471 -1.100 6.025 1.00 4.31 C ATOM 1697 O PRO A 126 19.636 -1.204 6.420 1.00 51.22 O ATOM 1698 CB PRO A 126 18.095 0.689 7.732 1.00 63.51 C ATOM 1699 CG PRO A 126 17.260 -0.018 8.740 1.00 55.54 C ATOM 1700 CD PRO A 126 15.923 -0.048 8.148 1.00 21.42 C ATOM 0 HA PRO A 126 17.679 0.814 5.545 1.00 22.11 H new ATOM 0 HB2 PRO A 126 19.156 0.496 7.887 1.00 63.51 H new ATOM 0 HB3 PRO A 126 17.956 1.769 7.786 1.00 63.51 H new ATOM 0 HG2 PRO A 126 17.633 -1.024 8.930 1.00 55.54 H new ATOM 0 HG3 PRO A 126 17.260 0.507 9.695 1.00 55.54 H new ATOM 0 HD2 PRO A 126 15.311 -0.847 8.567 1.00 21.42 H new ATOM 0 HD3 PRO A 126 15.385 0.886 8.312 1.00 21.42 H new ATOM 1708 N LYS A 127 17.887 -1.984 5.244 1.00 41.43 N ATOM 1709 CA LYS A 127 18.495 -3.236 4.825 1.00 65.33 C ATOM 1710 C LYS A 127 19.899 -3.020 4.171 1.00 13.21 C ATOM 1711 O LYS A 127 20.868 -3.641 4.608 1.00 55.33 O ATOM 1712 CB LYS A 127 17.500 -4.051 3.937 1.00 1.03 C ATOM 1713 CG LYS A 127 17.988 -5.415 3.476 1.00 75.12 C ATOM 1714 CD LYS A 127 16.910 -6.137 2.659 1.00 64.44 C ATOM 1715 CE LYS A 127 17.383 -7.516 2.210 1.00 43.41 C ATOM 1716 NZ LYS A 127 16.374 -8.224 1.383 1.00 54.44 N ATOM 0 H LYS A 127 16.947 -1.850 4.870 1.00 41.43 H new ATOM 0 HA LYS A 127 18.694 -3.841 5.709 1.00 65.33 H new ATOM 0 HB2 LYS A 127 16.573 -4.187 4.494 1.00 1.03 H new ATOM 0 HB3 LYS A 127 17.258 -3.456 3.056 1.00 1.03 H new ATOM 0 HG2 LYS A 127 18.889 -5.298 2.873 1.00 75.12 H new ATOM 0 HG3 LYS A 127 18.259 -6.020 4.341 1.00 75.12 H new ATOM 0 HD2 LYS A 127 16.005 -6.238 3.257 1.00 64.44 H new ATOM 0 HD3 LYS A 127 16.650 -5.538 1.786 1.00 64.44 H new ATOM 0 HE2 LYS A 127 18.306 -7.412 1.640 1.00 43.41 H new ATOM 0 HE3 LYS A 127 17.617 -8.119 3.087 1.00 43.41 H new ATOM 0 HZ1 LYS A 127 16.576 -9.244 1.387 1.00 54.44 H new ATOM 0 HZ2 LYS A 127 15.425 -8.058 1.775 1.00 54.44 H new ATOM 0 HZ3 LYS A 127 16.413 -7.867 0.407 1.00 54.44 H new ATOM 1772 N GLY A 132 19.419 3.911 0.579 1.00 33.03 N ATOM 1773 CA GLY A 132 19.080 2.621 0.078 1.00 13.14 C ATOM 1774 C GLY A 132 18.227 1.899 1.084 1.00 1.33 C ATOM 1775 O GLY A 132 18.674 1.610 2.189 1.00 53.23 O ATOM 0 HA2 GLY A 132 18.545 2.716 -0.867 1.00 13.14 H new ATOM 0 HA3 GLY A 132 19.985 2.049 -0.124 1.00 13.14 H new ATOM 1779 N SER A 133 17.009 1.637 0.738 1.00 4.13 N ATOM 1780 CA SER A 133 16.099 0.978 1.627 1.00 52.50 C ATOM 1781 C SER A 133 15.265 -0.033 0.854 1.00 61.33 C ATOM 1782 O SER A 133 14.942 0.182 -0.322 1.00 0.24 O ATOM 1783 CB SER A 133 15.213 2.015 2.317 1.00 70.22 C ATOM 1784 OG SER A 133 16.009 2.962 3.046 1.00 5.43 O ATOM 0 H SER A 133 16.612 1.873 -0.171 1.00 4.13 H new ATOM 0 HA SER A 133 16.657 0.441 2.394 1.00 52.50 H new ATOM 0 HB2 SER A 133 14.609 2.536 1.574 1.00 70.22 H new ATOM 0 HB3 SER A 133 14.522 1.515 2.996 1.00 70.22 H new ATOM 0 HG SER A 133 16.010 2.725 3.997 1.00 5.43 H new ATOM 1790 N ILE A 134 14.938 -1.131 1.495 1.00 34.34 N ATOM 1791 CA ILE A 134 14.178 -2.186 0.868 1.00 2.01 C ATOM 1792 C ILE A 134 12.886 -2.342 1.630 1.00 30.24 C ATOM 1793 O ILE A 134 12.871 -2.217 2.864 1.00 2.51 O ATOM 1794 CB ILE A 134 14.950 -3.535 0.917 1.00 24.01 C ATOM 1795 CG1 ILE A 134 16.334 -3.375 0.300 1.00 23.15 C ATOM 1796 CG2 ILE A 134 14.179 -4.655 0.214 1.00 2.45 C ATOM 1797 CD1 ILE A 134 16.350 -2.834 -1.106 1.00 34.22 C ATOM 0 H ILE A 134 15.191 -1.318 2.465 1.00 34.34 H new ATOM 0 HA ILE A 134 13.999 -1.928 -0.176 1.00 2.01 H new ATOM 0 HB ILE A 134 15.057 -3.817 1.964 1.00 24.01 H new ATOM 0 HG12 ILE A 134 16.923 -2.712 0.934 1.00 23.15 H new ATOM 0 HG13 ILE A 134 16.831 -4.345 0.305 1.00 23.15 H new ATOM 0 HG21 ILE A 134 14.751 -5.581 0.270 1.00 2.45 H new ATOM 0 HG22 ILE A 134 13.214 -4.794 0.702 1.00 2.45 H new ATOM 0 HG23 ILE A 134 14.022 -4.388 -0.831 1.00 2.45 H new ATOM 0 HD11 ILE A 134 17.380 -2.757 -1.455 1.00 34.22 H new ATOM 0 HD12 ILE A 134 15.794 -3.505 -1.761 1.00 34.22 H new ATOM 0 HD13 ILE A 134 15.887 -1.847 -1.121 1.00 34.22 H new ATOM 1809 N VAL A 135 11.831 -2.599 0.939 1.00 13.23 N ATOM 1810 CA VAL A 135 10.551 -2.748 1.586 1.00 43.43 C ATOM 1811 C VAL A 135 10.144 -4.205 1.654 1.00 14.23 C ATOM 1812 O VAL A 135 10.114 -4.918 0.641 1.00 61.51 O ATOM 1813 CB VAL A 135 9.413 -1.859 0.962 1.00 53.03 C ATOM 1814 CG1 VAL A 135 9.170 -2.160 -0.502 1.00 25.53 C ATOM 1815 CG2 VAL A 135 8.118 -1.982 1.760 1.00 23.04 C ATOM 0 H VAL A 135 11.817 -2.713 -0.075 1.00 13.23 H new ATOM 0 HA VAL A 135 10.684 -2.375 2.602 1.00 43.43 H new ATOM 0 HB VAL A 135 9.762 -0.828 1.020 1.00 53.03 H new ATOM 0 HG11 VAL A 135 8.375 -1.517 -0.879 1.00 25.53 H new ATOM 0 HG12 VAL A 135 10.083 -1.977 -1.068 1.00 25.53 H new ATOM 0 HG13 VAL A 135 8.877 -3.204 -0.615 1.00 25.53 H new ATOM 0 HG21 VAL A 135 7.350 -1.357 1.305 1.00 23.04 H new ATOM 0 HG22 VAL A 135 7.788 -3.021 1.760 1.00 23.04 H new ATOM 0 HG23 VAL A 135 8.290 -1.657 2.786 1.00 23.04 H new ATOM 1825 N HIS A 136 9.880 -4.650 2.845 1.00 40.20 N ATOM 1826 CA HIS A 136 9.435 -5.992 3.064 1.00 51.54 C ATOM 1827 C HIS A 136 7.944 -6.001 3.073 1.00 34.12 C ATOM 1828 O HIS A 136 7.316 -5.265 3.844 1.00 51.01 O ATOM 1829 CB HIS A 136 9.944 -6.561 4.391 1.00 3.35 C ATOM 1830 CG HIS A 136 11.426 -6.716 4.495 1.00 21.40 C ATOM 1831 ND1 HIS A 136 12.065 -7.917 4.323 1.00 45.52 N ATOM 1832 CD2 HIS A 136 12.389 -5.828 4.799 1.00 42.14 C ATOM 1833 CE1 HIS A 136 13.346 -7.764 4.518 1.00 1.14 C ATOM 1834 NE2 HIS A 136 13.580 -6.506 4.809 1.00 54.32 N ATOM 0 H HIS A 136 9.967 -4.091 3.694 1.00 40.20 H new ATOM 0 HA HIS A 136 9.832 -6.616 2.263 1.00 51.54 H new ATOM 0 HB2 HIS A 136 9.606 -5.912 5.199 1.00 3.35 H new ATOM 0 HB3 HIS A 136 9.482 -7.535 4.550 1.00 3.35 H new ATOM 0 HD2 HIS A 136 12.250 -4.776 4.998 1.00 42.14 H new ATOM 0 HE1 HIS A 136 14.090 -8.544 4.451 1.00 1.14 H new ATOM 0 HE2 HIS A 136 14.494 -6.101 5.009 1.00 54.32 H new ATOM 1843 N TRP A 137 7.376 -6.777 2.219 1.00 15.54 N ATOM 1844 CA TRP A 137 5.961 -6.916 2.177 1.00 33.14 C ATOM 1845 C TRP A 137 5.569 -8.176 2.887 1.00 33.23 C ATOM 1846 O TRP A 137 6.015 -9.267 2.524 1.00 24.05 O ATOM 1847 CB TRP A 137 5.453 -6.972 0.739 1.00 31.23 C ATOM 1848 CG TRP A 137 5.594 -5.707 -0.048 1.00 14.21 C ATOM 1849 CD1 TRP A 137 6.744 -5.119 -0.492 1.00 3.04 C ATOM 1850 CD2 TRP A 137 4.520 -4.883 -0.514 1.00 31.21 C ATOM 1851 NE1 TRP A 137 6.442 -3.987 -1.195 1.00 22.31 N ATOM 1852 CE2 TRP A 137 5.089 -3.816 -1.221 1.00 22.45 C ATOM 1853 CE3 TRP A 137 3.126 -4.946 -0.392 1.00 25.14 C ATOM 1854 CZ2 TRP A 137 4.319 -2.817 -1.809 1.00 74.30 C ATOM 1855 CZ3 TRP A 137 2.364 -3.954 -0.977 1.00 72.53 C ATOM 1856 CH2 TRP A 137 2.962 -2.904 -1.674 1.00 20.14 C ATOM 0 H TRP A 137 7.879 -7.335 1.528 1.00 15.54 H new ATOM 0 HA TRP A 137 5.516 -6.049 2.665 1.00 33.14 H new ATOM 0 HB2 TRP A 137 5.986 -7.766 0.215 1.00 31.23 H new ATOM 0 HB3 TRP A 137 4.400 -7.253 0.756 1.00 31.23 H new ATOM 0 HD1 TRP A 137 7.742 -5.492 -0.314 1.00 3.04 H new ATOM 0 HE1 TRP A 137 7.123 -3.366 -1.633 1.00 22.31 H new ATOM 0 HE3 TRP A 137 2.656 -5.754 0.149 1.00 25.14 H new ATOM 0 HZ2 TRP A 137 4.777 -2.003 -2.352 1.00 74.30 H new ATOM 0 HZ3 TRP A 137 1.288 -3.992 -0.894 1.00 72.53 H new ATOM 0 HH2 TRP A 137 2.338 -2.142 -2.117 1.00 20.14 H new ATOM 1867 N HIS A 138 4.759 -8.034 3.881 1.00 1.52 N ATOM 1868 CA HIS A 138 4.239 -9.137 4.608 1.00 30.44 C ATOM 1869 C HIS A 138 2.736 -9.151 4.394 1.00 72.44 C ATOM 1870 O HIS A 138 2.022 -8.270 4.862 1.00 75.14 O ATOM 1871 CB HIS A 138 4.608 -8.967 6.096 1.00 44.23 C ATOM 1872 CG HIS A 138 4.079 -10.001 7.028 1.00 72.11 C ATOM 1873 ND1 HIS A 138 4.761 -11.148 7.365 1.00 62.34 N ATOM 1874 CD2 HIS A 138 2.940 -10.026 7.734 1.00 32.24 C ATOM 1875 CE1 HIS A 138 4.057 -11.824 8.242 1.00 14.04 C ATOM 1876 NE2 HIS A 138 2.946 -11.163 8.482 1.00 4.11 N ATOM 0 H HIS A 138 4.434 -7.127 4.216 1.00 1.52 H new ATOM 0 HA HIS A 138 4.655 -10.087 4.271 1.00 30.44 H new ATOM 0 HB2 HIS A 138 5.695 -8.954 6.180 1.00 44.23 H new ATOM 0 HB3 HIS A 138 4.251 -7.992 6.428 1.00 44.23 H new ATOM 0 HD1 HIS A 138 5.668 -11.428 6.993 1.00 62.34 H new ATOM 0 HD2 HIS A 138 2.160 -9.280 7.713 1.00 32.24 H new ATOM 0 HE1 HIS A 138 4.342 -12.764 8.691 1.00 14.04 H new ATOM 1885 N LEU A 139 2.270 -10.125 3.682 1.00 32.24 N ATOM 1886 CA LEU A 139 0.876 -10.226 3.344 1.00 61.22 C ATOM 1887 C LEU A 139 0.294 -11.462 3.960 1.00 40.23 C ATOM 1888 O LEU A 139 0.909 -12.538 3.900 1.00 43.44 O ATOM 1889 CB LEU A 139 0.660 -10.310 1.809 1.00 41.24 C ATOM 1890 CG LEU A 139 1.136 -9.135 0.913 1.00 52.12 C ATOM 1891 CD1 LEU A 139 2.639 -9.035 0.841 1.00 64.11 C ATOM 1892 CD2 LEU A 139 0.570 -9.263 -0.476 1.00 62.03 C ATOM 0 H LEU A 139 2.845 -10.882 3.313 1.00 32.24 H new ATOM 0 HA LEU A 139 0.386 -9.330 3.724 1.00 61.22 H new ATOM 0 HB2 LEU A 139 1.157 -11.214 1.457 1.00 41.24 H new ATOM 0 HB3 LEU A 139 -0.408 -10.444 1.635 1.00 41.24 H new ATOM 0 HG LEU A 139 0.766 -8.221 1.377 1.00 52.12 H new ATOM 0 HD11 LEU A 139 2.918 -8.197 0.202 1.00 64.11 H new ATOM 0 HD12 LEU A 139 3.042 -8.878 1.842 1.00 64.11 H new ATOM 0 HD13 LEU A 139 3.046 -9.958 0.427 1.00 64.11 H new ATOM 0 HD21 LEU A 139 0.916 -8.430 -1.088 1.00 62.03 H new ATOM 0 HD22 LEU A 139 0.903 -10.201 -0.919 1.00 62.03 H new ATOM 0 HD23 LEU A 139 -0.519 -9.251 -0.428 1.00 62.03 H new ATOM 1904 N GLU A 140 -0.855 -11.324 4.555 1.00 51.11 N ATOM 1905 CA GLU A 140 -1.573 -12.440 5.112 1.00 74.41 C ATOM 1906 C GLU A 140 -2.999 -12.383 4.641 1.00 33.41 C ATOM 1907 O GLU A 140 -3.659 -11.348 4.751 1.00 71.44 O ATOM 1908 CB GLU A 140 -1.474 -12.478 6.640 1.00 4.20 C ATOM 1909 CG GLU A 140 -0.053 -12.701 7.130 1.00 34.14 C ATOM 1910 CD GLU A 140 0.062 -12.836 8.618 1.00 44.05 C ATOM 1911 OE1 GLU A 140 -0.198 -13.933 9.148 1.00 11.01 O ATOM 1912 OE2 GLU A 140 0.456 -11.868 9.280 1.00 60.34 O ATOM 0 H GLU A 140 -1.327 -10.427 4.670 1.00 51.11 H new ATOM 0 HA GLU A 140 -1.120 -13.368 4.762 1.00 74.41 H new ATOM 0 HB2 GLU A 140 -1.852 -11.540 7.048 1.00 4.20 H new ATOM 0 HB3 GLU A 140 -2.115 -13.273 7.022 1.00 4.20 H new ATOM 0 HG2 GLU A 140 0.345 -13.601 6.662 1.00 34.14 H new ATOM 0 HG3 GLU A 140 0.569 -11.868 6.801 1.00 34.14 H new ATOM 1919 N TYR A 141 -3.470 -13.472 4.106 1.00 32.14 N ATOM 1920 CA TYR A 141 -4.770 -13.510 3.492 1.00 34.11 C ATOM 1921 C TYR A 141 -5.451 -14.853 3.654 1.00 22.50 C ATOM 1922 O TYR A 141 -4.801 -15.884 3.852 1.00 34.33 O ATOM 1923 CB TYR A 141 -4.681 -13.070 2.010 1.00 61.25 C ATOM 1924 CG TYR A 141 -3.549 -13.705 1.232 1.00 24.15 C ATOM 1925 CD1 TYR A 141 -2.285 -13.124 1.224 1.00 62.14 C ATOM 1926 CD2 TYR A 141 -3.731 -14.869 0.527 1.00 23.30 C ATOM 1927 CE1 TYR A 141 -1.243 -13.690 0.532 1.00 70.14 C ATOM 1928 CE2 TYR A 141 -2.691 -15.445 -0.169 1.00 61.15 C ATOM 1929 CZ TYR A 141 -1.451 -14.854 -0.163 1.00 33.13 C ATOM 1930 OH TYR A 141 -0.413 -15.442 -0.851 1.00 74.22 O ATOM 0 H TYR A 141 -2.966 -14.359 4.082 1.00 32.14 H new ATOM 0 HA TYR A 141 -5.404 -12.796 4.017 1.00 34.11 H new ATOM 0 HB2 TYR A 141 -5.623 -13.309 1.516 1.00 61.25 H new ATOM 0 HB3 TYR A 141 -4.568 -11.987 1.972 1.00 61.25 H new ATOM 0 HD1 TYR A 141 -2.120 -12.209 1.773 1.00 62.14 H new ATOM 0 HD2 TYR A 141 -4.703 -15.340 0.518 1.00 23.30 H new ATOM 0 HE1 TYR A 141 -0.269 -13.223 0.535 1.00 70.14 H new ATOM 0 HE2 TYR A 141 -2.850 -16.361 -0.719 1.00 61.15 H new ATOM 0 HH TYR A 141 0.271 -15.743 -0.217 1.00 74.22 H new ATOM 1940 N GLU A 142 -6.752 -14.825 3.565 1.00 25.43 N ATOM 1941 CA GLU A 142 -7.578 -15.986 3.771 1.00 33.25 C ATOM 1942 C GLU A 142 -8.080 -16.491 2.418 1.00 41.43 C ATOM 1943 O GLU A 142 -8.726 -15.738 1.665 1.00 63.02 O ATOM 1944 CB GLU A 142 -8.771 -15.575 4.638 1.00 43.24 C ATOM 1945 CG GLU A 142 -9.643 -16.711 5.129 1.00 55.52 C ATOM 1946 CD GLU A 142 -8.936 -17.598 6.101 1.00 63.45 C ATOM 1947 OE1 GLU A 142 -8.755 -17.179 7.267 1.00 12.41 O ATOM 1948 OE2 GLU A 142 -8.586 -18.731 5.734 1.00 4.52 O ATOM 0 H GLU A 142 -7.279 -13.980 3.343 1.00 25.43 H new ATOM 0 HA GLU A 142 -7.011 -16.777 4.262 1.00 33.25 H new ATOM 0 HB2 GLU A 142 -8.397 -15.027 5.503 1.00 43.24 H new ATOM 0 HB3 GLU A 142 -9.392 -14.884 4.067 1.00 43.24 H new ATOM 0 HG2 GLU A 142 -10.536 -16.301 5.600 1.00 55.52 H new ATOM 0 HG3 GLU A 142 -9.975 -17.304 4.277 1.00 55.52 H new ATOM 1955 N LYS A 143 -7.778 -17.734 2.106 1.00 63.35 N ATOM 1956 CA LYS A 143 -8.216 -18.350 0.862 1.00 52.10 C ATOM 1957 C LYS A 143 -9.691 -18.663 0.899 1.00 12.25 C ATOM 1958 O LYS A 143 -10.176 -19.287 1.844 1.00 50.52 O ATOM 1959 CB LYS A 143 -7.442 -19.666 0.557 1.00 54.05 C ATOM 1960 CG LYS A 143 -6.022 -19.525 -0.011 1.00 3.42 C ATOM 1961 CD LYS A 143 -5.072 -18.735 0.860 1.00 4.31 C ATOM 1962 CE LYS A 143 -3.718 -18.587 0.186 1.00 64.45 C ATOM 1963 NZ LYS A 143 -3.009 -19.868 -0.005 1.00 22.14 N ATOM 0 H LYS A 143 -7.224 -18.348 2.703 1.00 63.35 H new ATOM 0 HA LYS A 143 -8.009 -17.625 0.075 1.00 52.10 H new ATOM 0 HB2 LYS A 143 -7.382 -20.245 1.479 1.00 54.05 H new ATOM 0 HB3 LYS A 143 -8.032 -20.250 -0.149 1.00 54.05 H new ATOM 0 HG2 LYS A 143 -5.607 -20.521 -0.168 1.00 3.42 H new ATOM 0 HG3 LYS A 143 -6.082 -19.046 -0.988 1.00 3.42 H new ATOM 0 HD2 LYS A 143 -5.492 -17.750 1.063 1.00 4.31 H new ATOM 0 HD3 LYS A 143 -4.952 -19.235 1.821 1.00 4.31 H new ATOM 0 HE2 LYS A 143 -3.855 -18.109 -0.784 1.00 64.45 H new ATOM 0 HE3 LYS A 143 -3.095 -17.922 0.784 1.00 64.45 H new ATOM 0 HZ1 LYS A 143 -2.038 -19.683 -0.327 1.00 22.14 H new ATOM 0 HZ2 LYS A 143 -2.982 -20.388 0.895 1.00 22.14 H new ATOM 0 HZ3 LYS A 143 -3.507 -20.437 -0.719 1.00 22.14 H new ATOM 1977 N ILE A 144 -10.409 -18.206 -0.111 1.00 12.12 N ATOM 1978 CA ILE A 144 -11.789 -18.609 -0.285 1.00 65.44 C ATOM 1979 C ILE A 144 -11.784 -20.074 -0.640 1.00 13.13 C ATOM 1980 O ILE A 144 -12.557 -20.878 -0.115 1.00 54.03 O ATOM 1981 CB ILE A 144 -12.481 -17.808 -1.421 1.00 14.03 C ATOM 1982 CG1 ILE A 144 -12.634 -16.343 -1.012 1.00 1.32 C ATOM 1983 CG2 ILE A 144 -13.825 -18.434 -1.806 1.00 51.11 C ATOM 1984 CD1 ILE A 144 -13.292 -15.468 -2.051 1.00 3.41 C ATOM 0 H ILE A 144 -10.060 -17.559 -0.819 1.00 12.12 H new ATOM 0 HA ILE A 144 -12.343 -18.416 0.634 1.00 65.44 H new ATOM 0 HB ILE A 144 -11.850 -17.848 -2.309 1.00 14.03 H new ATOM 0 HG12 ILE A 144 -13.217 -16.295 -0.093 1.00 1.32 H new ATOM 0 HG13 ILE A 144 -11.648 -15.937 -0.785 1.00 1.32 H new ATOM 0 HG21 ILE A 144 -14.283 -17.849 -2.604 1.00 51.11 H new ATOM 0 HG22 ILE A 144 -13.665 -19.456 -2.151 1.00 51.11 H new ATOM 0 HG23 ILE A 144 -14.484 -18.443 -0.938 1.00 51.11 H new ATOM 0 HD11 ILE A 144 -13.359 -14.447 -1.677 1.00 3.41 H new ATOM 0 HD12 ILE A 144 -12.699 -15.481 -2.966 1.00 3.41 H new ATOM 0 HD13 ILE A 144 -14.293 -15.844 -2.262 1.00 3.41 H new ATOM 1996 N SER A 145 -10.900 -20.404 -1.526 1.00 12.21 N ATOM 1997 CA SER A 145 -10.695 -21.731 -1.956 1.00 30.40 C ATOM 1998 C SER A 145 -9.241 -21.846 -2.377 1.00 61.21 C ATOM 1999 O SER A 145 -8.578 -20.821 -2.582 1.00 1.31 O ATOM 2000 CB SER A 145 -11.657 -22.068 -3.093 1.00 3.03 C ATOM 2001 OG SER A 145 -13.002 -21.895 -2.679 1.00 35.42 O ATOM 0 H SER A 145 -10.286 -19.728 -1.979 1.00 12.21 H new ATOM 0 HA SER A 145 -10.898 -22.447 -1.160 1.00 30.40 H new ATOM 0 HB2 SER A 145 -11.451 -21.429 -3.952 1.00 3.03 H new ATOM 0 HB3 SER A 145 -11.500 -23.097 -3.416 1.00 3.03 H new ATOM 0 HG SER A 145 -13.603 -22.114 -3.421 1.00 35.42 H new ATOM 2007 N GLU A 146 -8.766 -23.051 -2.510 1.00 64.30 N ATOM 2008 CA GLU A 146 -7.363 -23.324 -2.778 1.00 24.14 C ATOM 2009 C GLU A 146 -6.949 -22.837 -4.157 1.00 21.42 C ATOM 2010 O GLU A 146 -6.098 -21.961 -4.287 1.00 52.53 O ATOM 2011 CB GLU A 146 -7.130 -24.810 -2.687 1.00 64.13 C ATOM 2012 CG GLU A 146 -7.503 -25.417 -1.341 1.00 63.20 C ATOM 2013 CD GLU A 146 -7.314 -26.916 -1.300 1.00 43.14 C ATOM 2014 OE1 GLU A 146 -8.254 -27.648 -1.679 1.00 11.22 O ATOM 2015 OE2 GLU A 146 -6.234 -27.382 -0.894 1.00 4.32 O ATOM 0 H GLU A 146 -9.341 -23.890 -2.436 1.00 64.30 H new ATOM 0 HA GLU A 146 -6.764 -22.791 -2.040 1.00 24.14 H new ATOM 0 HB2 GLU A 146 -7.705 -25.306 -3.469 1.00 64.13 H new ATOM 0 HB3 GLU A 146 -6.078 -25.015 -2.887 1.00 64.13 H new ATOM 0 HG2 GLU A 146 -6.897 -24.958 -0.560 1.00 63.20 H new ATOM 0 HG3 GLU A 146 -8.543 -25.181 -1.117 1.00 63.20 H new ATOM 2022 N GLU A 147 -7.584 -23.395 -5.176 1.00 24.05 N ATOM 2023 CA GLU A 147 -7.262 -23.088 -6.572 1.00 62.44 C ATOM 2024 C GLU A 147 -7.659 -21.659 -6.930 1.00 34.40 C ATOM 2025 O GLU A 147 -7.207 -21.103 -7.935 1.00 32.05 O ATOM 2026 CB GLU A 147 -7.965 -24.053 -7.522 1.00 42.50 C ATOM 2027 CG GLU A 147 -9.482 -23.993 -7.440 1.00 42.23 C ATOM 2028 CD GLU A 147 -10.150 -24.786 -8.522 1.00 13.41 C ATOM 2029 OE1 GLU A 147 -10.267 -24.260 -9.661 1.00 22.53 O ATOM 2030 OE2 GLU A 147 -10.584 -25.919 -8.264 1.00 65.40 O ATOM 0 H GLU A 147 -8.337 -24.074 -5.065 1.00 24.05 H new ATOM 0 HA GLU A 147 -6.183 -23.197 -6.682 1.00 62.44 H new ATOM 0 HB2 GLU A 147 -7.656 -23.833 -8.544 1.00 42.50 H new ATOM 0 HB3 GLU A 147 -7.638 -25.069 -7.302 1.00 42.50 H new ATOM 0 HG2 GLU A 147 -9.805 -24.367 -6.468 1.00 42.23 H new ATOM 0 HG3 GLU A 147 -9.805 -22.954 -7.504 1.00 42.23 H new ATOM 2037 N VAL A 148 -8.537 -21.104 -6.133 1.00 35.10 N ATOM 2038 CA VAL A 148 -9.074 -19.768 -6.377 1.00 35.42 C ATOM 2039 C VAL A 148 -8.077 -18.684 -5.958 1.00 10.22 C ATOM 2040 O VAL A 148 -8.078 -17.585 -6.499 1.00 63.43 O ATOM 2041 CB VAL A 148 -10.453 -19.580 -5.664 1.00 51.43 C ATOM 2042 CG1 VAL A 148 -11.017 -18.175 -5.868 1.00 13.31 C ATOM 2043 CG2 VAL A 148 -11.442 -20.617 -6.178 1.00 53.15 C ATOM 0 H VAL A 148 -8.906 -21.555 -5.296 1.00 35.10 H new ATOM 0 HA VAL A 148 -9.238 -19.664 -7.450 1.00 35.42 H new ATOM 0 HB VAL A 148 -10.295 -19.717 -4.594 1.00 51.43 H new ATOM 0 HG11 VAL A 148 -11.975 -18.090 -5.356 1.00 13.31 H new ATOM 0 HG12 VAL A 148 -10.321 -17.441 -5.461 1.00 13.31 H new ATOM 0 HG13 VAL A 148 -11.157 -17.990 -6.933 1.00 13.31 H new ATOM 0 HG21 VAL A 148 -12.402 -20.483 -5.679 1.00 53.15 H new ATOM 0 HG22 VAL A 148 -11.572 -20.494 -7.253 1.00 53.15 H new ATOM 0 HG23 VAL A 148 -11.061 -21.617 -5.970 1.00 53.15 H new ATOM 2053 N ALA A 149 -7.213 -19.013 -5.040 1.00 10.54 N ATOM 2054 CA ALA A 149 -6.240 -18.068 -4.548 1.00 13.24 C ATOM 2055 C ALA A 149 -4.943 -18.218 -5.296 1.00 72.51 C ATOM 2056 O ALA A 149 -4.480 -19.333 -5.517 1.00 53.01 O ATOM 2057 CB ALA A 149 -6.003 -18.309 -3.097 1.00 71.10 C ATOM 0 H ALA A 149 -7.160 -19.937 -4.611 1.00 10.54 H new ATOM 0 HA ALA A 149 -6.622 -17.058 -4.698 1.00 13.24 H new ATOM 0 HB1 ALA A 149 -5.268 -17.595 -2.725 1.00 71.10 H new ATOM 0 HB2 ALA A 149 -6.938 -18.185 -2.550 1.00 71.10 H new ATOM 0 HB3 ALA A 149 -5.630 -19.323 -2.953 1.00 71.10 H new ATOM 2063 N HIS A 150 -4.357 -17.114 -5.686 1.00 54.02 N ATOM 2064 CA HIS A 150 -3.099 -17.129 -6.408 1.00 10.12 C ATOM 2065 C HIS A 150 -2.153 -16.046 -5.935 1.00 3.11 C ATOM 2066 O HIS A 150 -2.269 -14.910 -6.354 1.00 42.53 O ATOM 2067 CB HIS A 150 -3.299 -17.044 -7.926 1.00 1.13 C ATOM 2068 CG HIS A 150 -3.740 -18.321 -8.566 1.00 65.14 C ATOM 2069 ND1 HIS A 150 -2.874 -19.135 -9.255 1.00 12.13 N ATOM 2070 CD2 HIS A 150 -4.947 -18.923 -8.629 1.00 72.15 C ATOM 2071 CE1 HIS A 150 -3.521 -20.177 -9.712 1.00 42.44 C ATOM 2072 NE2 HIS A 150 -4.786 -20.078 -9.346 1.00 55.32 N ATOM 0 H HIS A 150 -4.732 -16.181 -5.516 1.00 54.02 H new ATOM 0 HA HIS A 150 -2.639 -18.092 -6.186 1.00 10.12 H new ATOM 0 HB2 HIS A 150 -4.038 -16.271 -8.140 1.00 1.13 H new ATOM 0 HB3 HIS A 150 -2.363 -16.726 -8.386 1.00 1.13 H new ATOM 0 HD1 HIS A 150 -1.879 -18.955 -9.390 1.00 12.13 H new ATOM 0 HD2 HIS A 150 -5.867 -18.561 -8.195 1.00 72.15 H new ATOM 0 HE1 HIS A 150 -3.093 -20.982 -10.291 1.00 42.44 H new ATOM 2081 N PRO A 151 -1.209 -16.403 -5.029 1.00 30.41 N ATOM 2082 CA PRO A 151 -0.178 -15.484 -4.471 1.00 14.11 C ATOM 2083 C PRO A 151 0.435 -14.504 -5.500 1.00 72.32 C ATOM 2084 O PRO A 151 0.765 -13.361 -5.168 1.00 75.23 O ATOM 2085 CB PRO A 151 0.869 -16.461 -3.960 1.00 1.31 C ATOM 2086 CG PRO A 151 0.043 -17.587 -3.446 1.00 63.24 C ATOM 2087 CD PRO A 151 -1.080 -17.752 -4.434 1.00 15.20 C ATOM 0 HA PRO A 151 -0.597 -14.815 -3.720 1.00 14.11 H new ATOM 0 HB2 PRO A 151 1.544 -16.783 -4.753 1.00 1.31 H new ATOM 0 HB3 PRO A 151 1.486 -16.021 -3.176 1.00 1.31 H new ATOM 0 HG2 PRO A 151 0.632 -18.501 -3.367 1.00 63.24 H new ATOM 0 HG3 PRO A 151 -0.341 -17.368 -2.450 1.00 63.24 H new ATOM 0 HD2 PRO A 151 -0.846 -18.504 -5.188 1.00 15.20 H new ATOM 0 HD3 PRO A 151 -2.002 -18.067 -3.946 1.00 15.20 H new ATOM 2095 N GLU A 152 0.562 -14.954 -6.731 1.00 21.50 N ATOM 2096 CA GLU A 152 1.059 -14.143 -7.823 1.00 14.41 C ATOM 2097 C GLU A 152 0.279 -12.849 -8.020 1.00 50.53 C ATOM 2098 O GLU A 152 0.863 -11.823 -8.368 1.00 45.52 O ATOM 2099 CB GLU A 152 1.082 -14.903 -9.149 1.00 25.01 C ATOM 2100 CG GLU A 152 -0.166 -15.736 -9.482 1.00 45.42 C ATOM 2101 CD GLU A 152 -0.131 -17.150 -8.917 1.00 71.32 C ATOM 2102 OE1 GLU A 152 0.202 -17.333 -7.741 1.00 51.24 O ATOM 2103 OE2 GLU A 152 -0.462 -18.097 -9.652 1.00 52.42 O ATOM 0 H GLU A 152 0.320 -15.906 -7.005 1.00 21.50 H new ATOM 0 HA GLU A 152 2.078 -13.891 -7.529 1.00 14.41 H new ATOM 0 HB2 GLU A 152 1.236 -14.183 -9.953 1.00 25.01 H new ATOM 0 HB3 GLU A 152 1.946 -15.568 -9.147 1.00 25.01 H new ATOM 0 HG2 GLU A 152 -1.047 -15.223 -9.097 1.00 45.42 H new ATOM 0 HG3 GLU A 152 -0.277 -15.790 -10.565 1.00 45.42 H new ATOM 2110 N THR A 153 -1.016 -12.883 -7.783 1.00 33.40 N ATOM 2111 CA THR A 153 -1.844 -11.729 -8.010 1.00 24.20 C ATOM 2112 C THR A 153 -1.519 -10.643 -7.007 1.00 43.24 C ATOM 2113 O THR A 153 -1.618 -9.450 -7.306 1.00 21.24 O ATOM 2114 CB THR A 153 -3.341 -12.080 -8.005 1.00 62.24 C ATOM 2115 OG1 THR A 153 -3.735 -12.557 -6.716 1.00 23.35 O ATOM 2116 CG2 THR A 153 -3.596 -13.172 -9.033 1.00 12.32 C ATOM 0 H THR A 153 -1.514 -13.702 -7.433 1.00 33.40 H new ATOM 0 HA THR A 153 -1.622 -11.350 -9.008 1.00 24.20 H new ATOM 0 HB THR A 153 -3.917 -11.187 -8.247 1.00 62.24 H new ATOM 0 HG1 THR A 153 -4.509 -12.045 -6.400 1.00 23.35 H new ATOM 0 HG21 THR A 153 -4.656 -13.428 -9.037 1.00 12.32 H new ATOM 0 HG22 THR A 153 -3.305 -12.816 -10.021 1.00 12.32 H new ATOM 0 HG23 THR A 153 -3.010 -14.055 -8.778 1.00 12.32 H new ATOM 2124 N LEU A 154 -1.086 -11.054 -5.824 1.00 50.14 N ATOM 2125 CA LEU A 154 -0.706 -10.101 -4.818 1.00 75.45 C ATOM 2126 C LEU A 154 0.595 -9.474 -5.210 1.00 71.14 C ATOM 2127 O LEU A 154 0.781 -8.302 -5.011 1.00 31.23 O ATOM 2128 CB LEU A 154 -0.603 -10.702 -3.414 1.00 43.11 C ATOM 2129 CG LEU A 154 -1.852 -11.353 -2.824 1.00 62.33 C ATOM 2130 CD1 LEU A 154 -3.092 -10.508 -2.995 1.00 43.21 C ATOM 2131 CD2 LEU A 154 -2.048 -12.754 -3.306 1.00 32.32 C ATOM 0 H LEU A 154 -0.993 -12.032 -5.549 1.00 50.14 H new ATOM 0 HA LEU A 154 -1.496 -9.352 -4.765 1.00 75.45 H new ATOM 0 HB2 LEU A 154 0.190 -11.450 -3.427 1.00 43.11 H new ATOM 0 HB3 LEU A 154 -0.284 -9.912 -2.734 1.00 43.11 H new ATOM 0 HG LEU A 154 -1.677 -11.416 -1.750 1.00 62.33 H new ATOM 0 HD11 LEU A 154 -3.947 -11.023 -2.556 1.00 43.21 H new ATOM 0 HD12 LEU A 154 -2.951 -9.549 -2.496 1.00 43.21 H new ATOM 0 HD13 LEU A 154 -3.275 -10.341 -4.056 1.00 43.21 H new ATOM 0 HD21 LEU A 154 -2.949 -13.171 -2.857 1.00 32.32 H new ATOM 0 HD22 LEU A 154 -2.150 -12.754 -4.391 1.00 32.32 H new ATOM 0 HD23 LEU A 154 -1.188 -13.360 -3.022 1.00 32.32 H new ATOM 2143 N LEU A 155 1.490 -10.265 -5.810 1.00 74.52 N ATOM 2144 CA LEU A 155 2.747 -9.730 -6.325 1.00 12.34 C ATOM 2145 C LEU A 155 2.474 -8.682 -7.381 1.00 44.32 C ATOM 2146 O LEU A 155 3.172 -7.682 -7.468 1.00 51.04 O ATOM 2147 CB LEU A 155 3.650 -10.829 -6.890 1.00 1.52 C ATOM 2148 CG LEU A 155 4.228 -11.811 -5.873 1.00 44.02 C ATOM 2149 CD1 LEU A 155 5.064 -12.848 -6.570 1.00 33.50 C ATOM 2150 CD2 LEU A 155 5.074 -11.075 -4.842 1.00 13.51 C ATOM 0 H LEU A 155 1.366 -11.268 -5.949 1.00 74.52 H new ATOM 0 HA LEU A 155 3.275 -9.272 -5.489 1.00 12.34 H new ATOM 0 HB2 LEU A 155 3.082 -11.394 -7.629 1.00 1.52 H new ATOM 0 HB3 LEU A 155 4.477 -10.356 -7.419 1.00 1.52 H new ATOM 0 HG LEU A 155 3.401 -12.303 -5.362 1.00 44.02 H new ATOM 0 HD11 LEU A 155 5.470 -13.542 -5.834 1.00 33.50 H new ATOM 0 HD12 LEU A 155 4.446 -13.395 -7.282 1.00 33.50 H new ATOM 0 HD13 LEU A 155 5.882 -12.360 -7.099 1.00 33.50 H new ATOM 0 HD21 LEU A 155 5.478 -11.790 -4.125 1.00 13.51 H new ATOM 0 HD22 LEU A 155 5.894 -10.562 -5.344 1.00 13.51 H new ATOM 0 HD23 LEU A 155 4.456 -10.346 -4.318 1.00 13.51 H new ATOM 2162 N GLN A 156 1.421 -8.907 -8.159 1.00 13.44 N ATOM 2163 CA GLN A 156 1.006 -7.964 -9.189 1.00 22.42 C ATOM 2164 C GLN A 156 0.505 -6.682 -8.536 1.00 50.31 C ATOM 2165 O GLN A 156 0.708 -5.602 -9.046 1.00 74.41 O ATOM 2166 CB GLN A 156 -0.104 -8.556 -10.064 1.00 42.04 C ATOM 2167 CG GLN A 156 0.245 -9.877 -10.729 1.00 41.54 C ATOM 2168 CD GLN A 156 1.433 -9.791 -11.649 1.00 11.43 C ATOM 2169 OE1 GLN A 156 1.291 -9.510 -12.832 1.00 34.31 O ATOM 2170 NE2 GLN A 156 2.595 -10.078 -11.138 1.00 63.41 N ATOM 0 H GLN A 156 0.836 -9.740 -8.094 1.00 13.44 H new ATOM 0 HA GLN A 156 1.867 -7.749 -9.822 1.00 22.42 H new ATOM 0 HB2 GLN A 156 -0.994 -8.698 -9.451 1.00 42.04 H new ATOM 0 HB3 GLN A 156 -0.362 -7.833 -10.838 1.00 42.04 H new ATOM 0 HG2 GLN A 156 0.446 -10.621 -9.958 1.00 41.54 H new ATOM 0 HG3 GLN A 156 -0.618 -10.229 -11.295 1.00 41.54 H new ATOM 0 HE21 GLN A 156 2.674 -10.307 -10.147 1.00 63.41 H new ATOM 0 HE22 GLN A 156 3.427 -10.074 -11.728 1.00 63.41 H new ATOM 2179 N PHE A 157 -0.146 -6.824 -7.404 1.00 5.22 N ATOM 2180 CA PHE A 157 -0.634 -5.687 -6.655 1.00 12.22 C ATOM 2181 C PHE A 157 0.551 -4.952 -6.014 1.00 42.22 C ATOM 2182 O PHE A 157 0.695 -3.737 -6.158 1.00 10.51 O ATOM 2183 CB PHE A 157 -1.652 -6.159 -5.589 1.00 64.20 C ATOM 2184 CG PHE A 157 -2.273 -5.061 -4.759 1.00 71.24 C ATOM 2185 CD1 PHE A 157 -3.228 -4.225 -5.305 1.00 2.11 C ATOM 2186 CD2 PHE A 157 -1.898 -4.868 -3.436 1.00 44.53 C ATOM 2187 CE1 PHE A 157 -3.804 -3.215 -4.557 1.00 24.31 C ATOM 2188 CE2 PHE A 157 -2.477 -3.850 -2.675 1.00 51.02 C ATOM 2189 CZ PHE A 157 -3.429 -3.030 -3.242 1.00 53.00 C ATOM 0 H PHE A 157 -0.352 -7.727 -6.977 1.00 5.22 H new ATOM 0 HA PHE A 157 -1.146 -4.993 -7.322 1.00 12.22 H new ATOM 0 HB2 PHE A 157 -2.449 -6.708 -6.090 1.00 64.20 H new ATOM 0 HB3 PHE A 157 -1.153 -6.860 -4.920 1.00 64.20 H new ATOM 0 HD1 PHE A 157 -3.529 -4.363 -6.333 1.00 2.11 H new ATOM 0 HD2 PHE A 157 -1.152 -5.511 -2.992 1.00 44.53 H new ATOM 0 HE1 PHE A 157 -4.548 -2.571 -5.002 1.00 24.31 H new ATOM 0 HE2 PHE A 157 -2.180 -3.706 -1.647 1.00 51.02 H new ATOM 0 HZ PHE A 157 -3.881 -2.243 -2.657 1.00 53.00 H new ATOM 2199 N CYS A 158 1.407 -5.715 -5.348 1.00 21.22 N ATOM 2200 CA CYS A 158 2.583 -5.195 -4.669 1.00 62.45 C ATOM 2201 C CYS A 158 3.499 -4.420 -5.609 1.00 20.22 C ATOM 2202 O CYS A 158 3.908 -3.314 -5.288 1.00 3.22 O ATOM 2203 CB CYS A 158 3.378 -6.333 -4.009 1.00 33.54 C ATOM 2204 SG CYS A 158 2.468 -7.263 -2.757 1.00 10.43 S ATOM 0 H CYS A 158 1.301 -6.726 -5.264 1.00 21.22 H new ATOM 0 HA CYS A 158 2.222 -4.507 -3.905 1.00 62.45 H new ATOM 0 HB2 CYS A 158 3.710 -7.023 -4.785 1.00 33.54 H new ATOM 0 HB3 CYS A 158 4.274 -5.914 -3.551 1.00 33.54 H new ATOM 0 HG CYS A 158 2.511 -6.624 -1.626 1.00 10.43 H new ATOM 2210 N VAL A 159 3.801 -4.995 -6.768 1.00 60.44 N ATOM 2211 CA VAL A 159 4.736 -4.383 -7.714 1.00 2.33 C ATOM 2212 C VAL A 159 4.265 -2.991 -8.172 1.00 40.12 C ATOM 2213 O VAL A 159 5.045 -2.032 -8.203 1.00 11.34 O ATOM 2214 CB VAL A 159 5.016 -5.315 -8.946 1.00 50.43 C ATOM 2215 CG1 VAL A 159 3.786 -5.543 -9.813 1.00 10.00 C ATOM 2216 CG2 VAL A 159 6.194 -4.822 -9.760 1.00 50.11 C ATOM 0 H VAL A 159 3.413 -5.886 -7.078 1.00 60.44 H new ATOM 0 HA VAL A 159 5.676 -4.251 -7.179 1.00 2.33 H new ATOM 0 HB VAL A 159 5.280 -6.290 -8.537 1.00 50.43 H new ATOM 0 HG11 VAL A 159 4.045 -6.195 -10.647 1.00 10.00 H new ATOM 0 HG12 VAL A 159 3.002 -6.010 -9.217 1.00 10.00 H new ATOM 0 HG13 VAL A 159 3.429 -4.587 -10.197 1.00 10.00 H new ATOM 0 HG21 VAL A 159 6.358 -5.491 -10.604 1.00 50.11 H new ATOM 0 HG22 VAL A 159 5.987 -3.817 -10.128 1.00 50.11 H new ATOM 0 HG23 VAL A 159 7.086 -4.802 -9.134 1.00 50.11 H new ATOM 2226 N GLU A 160 2.990 -2.887 -8.464 1.00 74.33 N ATOM 2227 CA GLU A 160 2.396 -1.639 -8.935 1.00 31.24 C ATOM 2228 C GLU A 160 2.408 -0.598 -7.831 1.00 12.51 C ATOM 2229 O GLU A 160 2.782 0.561 -8.050 1.00 51.44 O ATOM 2230 CB GLU A 160 0.970 -1.883 -9.402 1.00 10.43 C ATOM 2231 CG GLU A 160 0.857 -2.934 -10.488 1.00 44.44 C ATOM 2232 CD GLU A 160 1.569 -2.573 -11.768 1.00 14.24 C ATOM 2233 OE1 GLU A 160 2.798 -2.728 -11.859 1.00 14.22 O ATOM 2234 OE2 GLU A 160 0.884 -2.185 -12.724 1.00 11.34 O ATOM 0 H GLU A 160 2.328 -3.659 -8.385 1.00 74.33 H new ATOM 0 HA GLU A 160 2.986 -1.268 -9.773 1.00 31.24 H new ATOM 0 HB2 GLU A 160 0.365 -2.188 -8.549 1.00 10.43 H new ATOM 0 HB3 GLU A 160 0.552 -0.946 -9.770 1.00 10.43 H new ATOM 0 HG2 GLU A 160 1.261 -3.874 -10.113 1.00 44.44 H new ATOM 0 HG3 GLU A 160 -0.197 -3.104 -10.706 1.00 44.44 H new ATOM 2241 N VAL A 161 2.024 -1.022 -6.636 1.00 4.21 N ATOM 2242 CA VAL A 161 2.002 -0.139 -5.485 1.00 2.21 C ATOM 2243 C VAL A 161 3.426 0.290 -5.114 1.00 1.00 C ATOM 2244 O VAL A 161 3.644 1.422 -4.712 1.00 23.33 O ATOM 2245 CB VAL A 161 1.271 -0.779 -4.265 1.00 12.40 C ATOM 2246 CG1 VAL A 161 1.290 0.152 -3.055 1.00 13.22 C ATOM 2247 CG2 VAL A 161 -0.168 -1.115 -4.630 1.00 15.54 C ATOM 0 H VAL A 161 1.723 -1.977 -6.440 1.00 4.21 H new ATOM 0 HA VAL A 161 1.432 0.748 -5.762 1.00 2.21 H new ATOM 0 HB VAL A 161 1.802 -1.694 -4.002 1.00 12.40 H new ATOM 0 HG11 VAL A 161 0.772 -0.324 -2.222 1.00 13.22 H new ATOM 0 HG12 VAL A 161 2.322 0.358 -2.771 1.00 13.22 H new ATOM 0 HG13 VAL A 161 0.789 1.087 -3.307 1.00 13.22 H new ATOM 0 HG21 VAL A 161 -0.667 -1.561 -3.770 1.00 15.54 H new ATOM 0 HG22 VAL A 161 -0.692 -0.204 -4.921 1.00 15.54 H new ATOM 0 HG23 VAL A 161 -0.177 -1.820 -5.461 1.00 15.54 H new ATOM 2257 N SER A 162 4.393 -0.610 -5.290 1.00 30.41 N ATOM 2258 CA SER A 162 5.786 -0.297 -5.018 1.00 1.33 C ATOM 2259 C SER A 162 6.269 0.844 -5.900 1.00 64.03 C ATOM 2260 O SER A 162 6.926 1.760 -5.425 1.00 75.44 O ATOM 2261 CB SER A 162 6.649 -1.520 -5.217 1.00 10.15 C ATOM 2262 OG SER A 162 6.256 -2.555 -4.334 1.00 13.35 O ATOM 0 H SER A 162 4.232 -1.561 -5.620 1.00 30.41 H new ATOM 0 HA SER A 162 5.866 0.021 -3.979 1.00 1.33 H new ATOM 0 HB2 SER A 162 6.569 -1.864 -6.248 1.00 10.15 H new ATOM 0 HB3 SER A 162 7.695 -1.266 -5.046 1.00 10.15 H new ATOM 0 HG SER A 162 5.487 -3.032 -4.711 1.00 13.35 H new ATOM 2268 N LYS A 163 5.913 0.795 -7.181 1.00 25.14 N ATOM 2269 CA LYS A 163 6.278 1.852 -8.110 1.00 12.24 C ATOM 2270 C LYS A 163 5.631 3.161 -7.672 1.00 62.40 C ATOM 2271 O LYS A 163 6.293 4.195 -7.582 1.00 0.41 O ATOM 2272 CB LYS A 163 5.824 1.506 -9.535 1.00 35.31 C ATOM 2273 CG LYS A 163 6.434 0.237 -10.102 1.00 22.23 C ATOM 2274 CD LYS A 163 5.910 -0.043 -11.504 1.00 72.11 C ATOM 2275 CE LYS A 163 6.507 -1.317 -12.083 1.00 62.25 C ATOM 2276 NZ LYS A 163 7.979 -1.239 -12.207 1.00 72.23 N ATOM 0 H LYS A 163 5.373 0.035 -7.595 1.00 25.14 H new ATOM 0 HA LYS A 163 7.363 1.957 -8.108 1.00 12.24 H new ATOM 0 HB2 LYS A 163 4.739 1.406 -9.542 1.00 35.31 H new ATOM 0 HB3 LYS A 163 6.072 2.338 -10.193 1.00 35.31 H new ATOM 0 HG2 LYS A 163 7.520 0.332 -10.128 1.00 22.23 H new ATOM 0 HG3 LYS A 163 6.203 -0.605 -9.449 1.00 22.23 H new ATOM 0 HD2 LYS A 163 4.824 -0.130 -11.476 1.00 72.11 H new ATOM 0 HD3 LYS A 163 6.146 0.798 -12.156 1.00 72.11 H new ATOM 0 HE2 LYS A 163 6.242 -2.162 -11.447 1.00 62.25 H new ATOM 0 HE3 LYS A 163 6.071 -1.507 -13.064 1.00 62.25 H new ATOM 0 HZ1 LYS A 163 8.321 -2.033 -12.786 1.00 72.23 H new ATOM 0 HZ2 LYS A 163 8.242 -0.341 -12.661 1.00 72.23 H new ATOM 0 HZ3 LYS A 163 8.410 -1.289 -11.262 1.00 72.23 H new ATOM 2290 N GLU A 164 4.345 3.075 -7.374 1.00 11.12 N ATOM 2291 CA GLU A 164 3.526 4.205 -6.957 1.00 70.33 C ATOM 2292 C GLU A 164 4.069 4.866 -5.676 1.00 62.32 C ATOM 2293 O GLU A 164 4.283 6.076 -5.631 1.00 2.14 O ATOM 2294 CB GLU A 164 2.096 3.700 -6.704 1.00 73.22 C ATOM 2295 CG GLU A 164 1.107 4.764 -6.265 1.00 12.23 C ATOM 2296 CD GLU A 164 0.901 5.841 -7.296 1.00 55.23 C ATOM 2297 OE1 GLU A 164 1.653 6.828 -7.298 1.00 42.10 O ATOM 2298 OE2 GLU A 164 -0.029 5.718 -8.117 1.00 1.34 O ATOM 0 H GLU A 164 3.828 2.197 -7.416 1.00 11.12 H new ATOM 0 HA GLU A 164 3.543 4.956 -7.747 1.00 70.33 H new ATOM 0 HB2 GLU A 164 1.724 3.235 -7.617 1.00 73.22 H new ATOM 0 HB3 GLU A 164 2.131 2.922 -5.942 1.00 73.22 H new ATOM 0 HG2 GLU A 164 0.149 4.292 -6.045 1.00 12.23 H new ATOM 0 HG3 GLU A 164 1.459 5.219 -5.339 1.00 12.23 H new ATOM 2305 N ILE A 165 4.306 4.065 -4.658 1.00 64.25 N ATOM 2306 CA ILE A 165 4.715 4.573 -3.366 1.00 74.03 C ATOM 2307 C ILE A 165 6.149 5.146 -3.451 1.00 44.24 C ATOM 2308 O ILE A 165 6.437 6.193 -2.875 1.00 5.34 O ATOM 2309 CB ILE A 165 4.547 3.448 -2.248 1.00 22.01 C ATOM 2310 CG1 ILE A 165 4.496 4.005 -0.790 1.00 24.14 C ATOM 2311 CG2 ILE A 165 5.615 2.359 -2.362 1.00 13.15 C ATOM 2312 CD1 ILE A 165 5.772 4.614 -0.257 1.00 74.43 C ATOM 0 H ILE A 165 4.221 3.050 -4.702 1.00 64.25 H new ATOM 0 HA ILE A 165 4.067 5.398 -3.069 1.00 74.03 H new ATOM 0 HB ILE A 165 3.571 3.005 -2.448 1.00 22.01 H new ATOM 0 HG12 ILE A 165 3.711 4.759 -0.740 1.00 24.14 H new ATOM 0 HG13 ILE A 165 4.201 3.194 -0.125 1.00 24.14 H new ATOM 0 HG21 ILE A 165 5.461 1.615 -1.581 1.00 13.15 H new ATOM 0 HG22 ILE A 165 5.543 1.880 -3.338 1.00 13.15 H new ATOM 0 HG23 ILE A 165 6.603 2.805 -2.248 1.00 13.15 H new ATOM 0 HD11 ILE A 165 5.610 4.964 0.763 1.00 74.43 H new ATOM 0 HD12 ILE A 165 6.563 3.864 -0.262 1.00 74.43 H new ATOM 0 HD13 ILE A 165 6.065 5.454 -0.887 1.00 74.43 H new ATOM 2324 N ASP A 166 7.009 4.495 -4.227 1.00 22.22 N ATOM 2325 CA ASP A 166 8.404 4.941 -4.390 1.00 52.32 C ATOM 2326 C ASP A 166 8.487 6.298 -5.076 1.00 54.53 C ATOM 2327 O ASP A 166 9.152 7.213 -4.585 1.00 45.55 O ATOM 2328 CB ASP A 166 9.228 3.903 -5.140 1.00 73.42 C ATOM 2329 CG ASP A 166 10.643 4.356 -5.414 1.00 23.23 C ATOM 2330 OD1 ASP A 166 11.452 4.427 -4.469 1.00 61.14 O ATOM 2331 OD2 ASP A 166 10.958 4.631 -6.590 1.00 51.42 O ATOM 0 H ASP A 166 6.773 3.656 -4.756 1.00 22.22 H new ATOM 0 HA ASP A 166 8.825 5.053 -3.391 1.00 52.32 H new ATOM 0 HB2 ASP A 166 9.254 2.980 -4.560 1.00 73.42 H new ATOM 0 HB3 ASP A 166 8.737 3.672 -6.085 1.00 73.42 H new ATOM 2336 N GLU A 167 7.777 6.451 -6.188 1.00 70.53 N ATOM 2337 CA GLU A 167 7.743 7.732 -6.899 1.00 41.21 C ATOM 2338 C GLU A 167 7.040 8.776 -6.074 1.00 45.22 C ATOM 2339 O GLU A 167 7.320 9.948 -6.200 1.00 10.31 O ATOM 2340 CB GLU A 167 7.129 7.621 -8.291 1.00 63.12 C ATOM 2341 CG GLU A 167 5.701 7.139 -8.301 1.00 33.21 C ATOM 2342 CD GLU A 167 5.118 7.125 -9.668 1.00 41.44 C ATOM 2343 OE1 GLU A 167 5.226 6.106 -10.356 1.00 61.35 O ATOM 2344 OE2 GLU A 167 4.527 8.154 -10.086 1.00 31.23 O ATOM 0 H GLU A 167 7.220 5.712 -6.617 1.00 70.53 H new ATOM 0 HA GLU A 167 8.778 8.041 -7.047 1.00 41.21 H new ATOM 0 HB2 GLU A 167 7.174 8.597 -8.775 1.00 63.12 H new ATOM 0 HB3 GLU A 167 7.734 6.940 -8.889 1.00 63.12 H new ATOM 0 HG2 GLU A 167 5.656 6.135 -7.879 1.00 33.21 H new ATOM 0 HG3 GLU A 167 5.099 7.782 -7.659 1.00 33.21 H new ATOM 2351 N HIS A 168 6.103 8.349 -5.252 1.00 70.20 N ATOM 2352 CA HIS A 168 5.421 9.253 -4.347 1.00 22.15 C ATOM 2353 C HIS A 168 6.448 9.832 -3.357 1.00 10.43 C ATOM 2354 O HIS A 168 6.347 10.986 -2.951 1.00 5.13 O ATOM 2355 CB HIS A 168 4.305 8.502 -3.600 1.00 41.42 C ATOM 2356 CG HIS A 168 3.388 9.367 -2.786 1.00 43.11 C ATOM 2357 ND1 HIS A 168 2.131 9.705 -3.210 1.00 2.11 N ATOM 2358 CD2 HIS A 168 3.536 9.933 -1.561 1.00 74.43 C ATOM 2359 CE1 HIS A 168 1.540 10.437 -2.294 1.00 24.41 C ATOM 2360 NE2 HIS A 168 2.372 10.592 -1.279 1.00 43.13 N ATOM 0 H HIS A 168 5.795 7.378 -5.192 1.00 70.20 H new ATOM 0 HA HIS A 168 4.964 10.069 -4.906 1.00 22.15 H new ATOM 0 HB2 HIS A 168 3.709 7.952 -4.328 1.00 41.42 H new ATOM 0 HB3 HIS A 168 4.763 7.765 -2.941 1.00 41.42 H new ATOM 0 HD2 HIS A 168 4.409 9.874 -0.928 1.00 74.43 H new ATOM 0 HE1 HIS A 168 0.542 10.844 -2.359 1.00 24.41 H new ATOM 0 HE2 HIS A 168 2.178 11.117 -0.426 1.00 43.13 H new ATOM 2369 N LEU A 169 7.418 9.010 -2.975 1.00 51.44 N ATOM 2370 CA LEU A 169 8.482 9.433 -2.077 1.00 72.40 C ATOM 2371 C LEU A 169 9.524 10.280 -2.811 1.00 53.34 C ATOM 2372 O LEU A 169 9.948 11.326 -2.308 1.00 21.43 O ATOM 2373 CB LEU A 169 9.182 8.222 -1.449 1.00 14.24 C ATOM 2374 CG LEU A 169 8.318 7.258 -0.640 1.00 50.44 C ATOM 2375 CD1 LEU A 169 9.160 6.105 -0.118 1.00 12.21 C ATOM 2376 CD2 LEU A 169 7.632 7.971 0.509 1.00 73.24 C ATOM 0 H LEU A 169 7.488 8.038 -3.277 1.00 51.44 H new ATOM 0 HA LEU A 169 8.019 10.034 -1.294 1.00 72.40 H new ATOM 0 HB2 LEU A 169 9.661 7.657 -2.249 1.00 14.24 H new ATOM 0 HB3 LEU A 169 9.976 8.590 -0.799 1.00 14.24 H new ATOM 0 HG LEU A 169 7.547 6.861 -1.300 1.00 50.44 H new ATOM 0 HD11 LEU A 169 8.530 5.426 0.457 1.00 12.21 H new ATOM 0 HD12 LEU A 169 9.601 5.568 -0.957 1.00 12.21 H new ATOM 0 HD13 LEU A 169 9.953 6.494 0.521 1.00 12.21 H new ATOM 0 HD21 LEU A 169 7.024 7.260 1.067 1.00 73.24 H new ATOM 0 HD22 LEU A 169 8.384 8.403 1.170 1.00 73.24 H new ATOM 0 HD23 LEU A 169 6.995 8.764 0.117 1.00 73.24 H new ATOM 2388 N LEU A 170 9.943 9.820 -3.999 1.00 24.42 N ATOM 2389 CA LEU A 170 10.981 10.522 -4.769 1.00 24.32 C ATOM 2390 C LEU A 170 10.450 11.829 -5.298 1.00 14.12 C ATOM 2391 O LEU A 170 11.127 12.858 -5.228 1.00 71.23 O ATOM 2392 CB LEU A 170 11.408 9.689 -5.980 1.00 13.13 C ATOM 2393 CG LEU A 170 11.949 8.292 -5.736 1.00 24.41 C ATOM 2394 CD1 LEU A 170 12.245 7.637 -7.067 1.00 40.43 C ATOM 2395 CD2 LEU A 170 13.206 8.340 -4.892 1.00 13.14 C ATOM 0 H LEU A 170 9.584 8.975 -4.444 1.00 24.42 H new ATOM 0 HA LEU A 170 11.825 10.689 -4.099 1.00 24.32 H new ATOM 0 HB2 LEU A 170 10.548 9.601 -6.644 1.00 13.13 H new ATOM 0 HB3 LEU A 170 12.170 10.252 -6.519 1.00 13.13 H new ATOM 0 HG LEU A 170 11.201 7.712 -5.196 1.00 24.41 H new ATOM 0 HD11 LEU A 170 12.634 6.633 -6.900 1.00 40.43 H new ATOM 0 HD12 LEU A 170 11.329 7.578 -7.655 1.00 40.43 H new ATOM 0 HD13 LEU A 170 12.985 8.228 -7.607 1.00 40.43 H new ATOM 0 HD21 LEU A 170 13.575 7.327 -4.731 1.00 13.14 H new ATOM 0 HD22 LEU A 170 13.968 8.926 -5.407 1.00 13.14 H new ATOM 0 HD23 LEU A 170 12.981 8.802 -3.931 1.00 13.14 H new