USER MOD reduce.3.24.130724 H: found=0, std=0, add=1275, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1275 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 95 LYS NZ :NH3+ 159:sc= 0.516 (180deg=0) USER MOD Set 1.2: A 147 TYR OH : rot 13:sc= 0.916 USER MOD Set 2.1: A 15 LYS NZ :NH3+ -173:sc= 1.42 (180deg=0.192) USER MOD Set 2.2: A 24 TYR OH : rot 85:sc= 0.532 USER MOD Set 2.3: A 36 SER OG : rot -90:sc= 0.886 USER MOD Set 3.1: A 12 TYR OH : rot -165:sc= -0.215 USER MOD Set 3.2: A 73 HIS : no HD1:sc= -0.0433 X(o=-0.26,f=-0.22) USER MOD Single : A 1 MET CE :methyl -137:sc= 0 (180deg=-0.455) USER MOD Single : A 1 MET N :NH3+ -161:sc= 0.21 (180deg=-0.268) USER MOD Single : A 8 LYS NZ :NH3+ -115:sc= 0 (180deg=-1.45!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -13:sc= 1.2 USER MOD Single : A 16 GLN : amide:sc= -0.0546 X(o=-0.055,f=-0.28) USER MOD Single : A 18 THR OG1 : rot -6:sc= 0.666 USER MOD Single : A 20 MET CE :methyl -129:sc= -1.08 (180deg=-4.93!) USER MOD Single : A 26 ASN : amide:sc= 0.0989 K(o=0.099,f=-9.1!) USER MOD Single : A 27 SER OG : rot -27:sc= 0.108 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0.251 K(o=0.25,f=-4.4!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -20:sc= 0.306 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0.476 X(o=0.48,f=-0.009) USER MOD Single : A 48 LYS NZ :NH3+ -174:sc= -0.0157 (180deg=-0.103) USER MOD Single : A 49 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.1) USER MOD Single : A 52 LYS NZ :NH3+ -136:sc= 0.913 (180deg=0.0141) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 176:sc= -0.291 (180deg=-0.323) USER MOD Single : A 62 THR OG1 : rot -165:sc= 0.135 USER MOD Single : A 64 LYS NZ :NH3+ 137:sc= 0.0697 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00163 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.348 K(o=-0.35,f=-2.9!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 177:sc= 0.0804 (180deg=0.0794) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.00049) USER MOD Single : A 114 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.09) USER MOD Single : A 115 THR OG1 : rot 172:sc= 1.25 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 ASN : amide:sc= -0.0765 K(o=-0.077,f=-0.64) USER MOD Single : A 119 TYR OH : rot -162:sc= 0.357 USER MOD Single : A 120 GLN :FLIP amide:sc= -0.157 F(o=-0.7,f=-0.16) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 127 HIS : no HD1:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 140 GLN : amide:sc= -0.276 K(o=-0.28,f=-2.5!) USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD Single : A 151 GLN : amide:sc= -2.05 X(o=-2.1,f=-2.2!) USER MOD Single : A 155 HIS : no HD1:sc= -0.029 X(o=-0.029,f=0) USER MOD Single : A 156 HIS : no HD1:sc= -0.566 K(o=-0.57,f=-2.8) USER MOD Single : A 157 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 158 HIS : no HD1:sc= -0.0896 X(o=-0.09,f=-0.011) USER MOD Single : A 159 HIS : no HE2:sc= 0.104 K(o=0.1,f=-0.43) USER MOD Single : A 160 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.371 19.327 -9.828 1.00 64.31 N ATOM 2 CA MET A 1 -24.042 18.264 -9.039 1.00 0.23 C ATOM 3 C MET A 1 -25.132 17.563 -9.863 1.00 43.12 C ATOM 4 O MET A 1 -25.704 16.567 -9.407 1.00 12.55 O ATOM 5 CB MET A 1 -24.632 18.847 -7.727 1.00 72.53 C ATOM 6 CG MET A 1 -23.591 19.520 -6.833 1.00 22.25 C ATOM 7 SD MET A 1 -22.233 18.403 -6.434 1.00 34.34 S ATOM 8 CE MET A 1 -21.188 19.474 -5.455 1.00 72.41 C ATOM 0 H1 MET A 1 -22.456 19.559 -9.391 1.00 64.31 H new ATOM 0 H2 MET A 1 -23.215 18.992 -10.800 1.00 64.31 H new ATOM 0 H3 MET A 1 -23.971 20.176 -9.847 1.00 64.31 H new ATOM 0 HA MET A 1 -23.292 17.517 -8.777 1.00 0.23 H new ATOM 0 HB2 MET A 1 -25.406 19.572 -7.978 1.00 72.53 H new ATOM 0 HB3 MET A 1 -25.115 18.045 -7.168 1.00 72.53 H new ATOM 0 HG2 MET A 1 -23.199 20.405 -7.334 1.00 22.25 H new ATOM 0 HG3 MET A 1 -24.066 19.859 -5.912 1.00 22.25 H new ATOM 0 HE1 MET A 1 -20.147 19.333 -5.747 1.00 72.41 H new ATOM 0 HE2 MET A 1 -21.474 20.513 -5.622 1.00 72.41 H new ATOM 0 HE3 MET A 1 -21.305 19.231 -4.399 1.00 72.41 H new ATOM 20 N VAL A 2 -25.402 18.068 -11.088 1.00 14.15 N ATOM 21 CA VAL A 2 -26.392 17.466 -12.013 1.00 71.34 C ATOM 22 C VAL A 2 -25.851 16.167 -12.668 1.00 13.14 C ATOM 23 O VAL A 2 -26.597 15.450 -13.344 1.00 0.32 O ATOM 24 CB VAL A 2 -26.837 18.484 -13.134 1.00 60.42 C ATOM 25 CG1 VAL A 2 -27.472 19.755 -12.524 1.00 12.12 C ATOM 26 CG2 VAL A 2 -25.663 18.845 -14.075 1.00 4.14 C ATOM 0 H VAL A 2 -24.944 18.899 -11.462 1.00 14.15 H new ATOM 0 HA VAL A 2 -27.264 17.212 -11.410 1.00 71.34 H new ATOM 0 HB VAL A 2 -27.599 17.988 -13.735 1.00 60.42 H new ATOM 0 HG11 VAL A 2 -27.767 20.434 -13.324 1.00 12.12 H new ATOM 0 HG12 VAL A 2 -28.350 19.479 -11.940 1.00 12.12 H new ATOM 0 HG13 VAL A 2 -26.747 20.249 -11.877 1.00 12.12 H new ATOM 0 HG21 VAL A 2 -26.008 19.548 -14.834 1.00 4.14 H new ATOM 0 HG22 VAL A 2 -24.860 19.301 -13.496 1.00 4.14 H new ATOM 0 HG23 VAL A 2 -25.293 17.941 -14.559 1.00 4.14 H new ATOM 36 N GLU A 3 -24.556 15.886 -12.442 1.00 52.04 N ATOM 37 CA GLU A 3 -23.835 14.734 -13.016 1.00 4.25 C ATOM 38 C GLU A 3 -24.430 13.399 -12.497 1.00 60.21 C ATOM 39 O GLU A 3 -24.898 13.347 -11.359 1.00 73.00 O ATOM 40 CB GLU A 3 -22.311 14.812 -12.652 1.00 3.12 C ATOM 41 CG GLU A 3 -21.569 16.110 -13.084 1.00 20.44 C ATOM 42 CD GLU A 3 -21.846 17.324 -12.168 1.00 42.35 C ATOM 43 OE1 GLU A 3 -21.342 17.345 -11.020 1.00 21.02 O ATOM 44 OE2 GLU A 3 -22.594 18.242 -12.566 1.00 44.14 O ATOM 0 H GLU A 3 -23.968 16.465 -11.843 1.00 52.04 H new ATOM 0 HA GLU A 3 -23.947 14.768 -14.100 1.00 4.25 H new ATOM 0 HB2 GLU A 3 -22.210 14.703 -11.572 1.00 3.12 H new ATOM 0 HB3 GLU A 3 -21.806 13.960 -13.107 1.00 3.12 H new ATOM 0 HG2 GLU A 3 -20.497 15.916 -13.099 1.00 20.44 H new ATOM 0 HG3 GLU A 3 -21.862 16.362 -14.103 1.00 20.44 H new ATOM 51 N PRO A 4 -24.378 12.283 -13.298 1.00 73.42 N ATOM 52 CA PRO A 4 -24.902 10.961 -12.875 1.00 43.34 C ATOM 53 C PRO A 4 -23.878 10.144 -12.040 1.00 53.31 C ATOM 54 O PRO A 4 -23.999 8.921 -11.911 1.00 13.22 O ATOM 55 CB PRO A 4 -25.204 10.297 -14.240 1.00 71.25 C ATOM 56 CG PRO A 4 -24.137 10.816 -15.161 1.00 41.44 C ATOM 57 CD PRO A 4 -23.807 12.222 -14.677 1.00 4.41 C ATOM 0 HA PRO A 4 -25.764 11.028 -12.211 1.00 43.34 H new ATOM 0 HB2 PRO A 4 -25.170 9.210 -14.168 1.00 71.25 H new ATOM 0 HB3 PRO A 4 -26.199 10.562 -14.598 1.00 71.25 H new ATOM 0 HG2 PRO A 4 -23.254 10.177 -15.133 1.00 41.44 H new ATOM 0 HG3 PRO A 4 -24.487 10.831 -16.193 1.00 41.44 H new ATOM 0 HD2 PRO A 4 -22.731 12.398 -14.670 1.00 4.41 H new ATOM 0 HD3 PRO A 4 -24.249 12.979 -15.324 1.00 4.41 H new ATOM 65 N GLY A 5 -22.898 10.852 -11.450 1.00 10.04 N ATOM 66 CA GLY A 5 -21.774 10.239 -10.745 1.00 73.22 C ATOM 67 C GLY A 5 -20.462 10.576 -11.434 1.00 31.04 C ATOM 68 O GLY A 5 -19.664 11.359 -10.908 1.00 44.33 O ATOM 0 H GLY A 5 -22.870 11.872 -11.453 1.00 10.04 H new ATOM 0 HA2 GLY A 5 -21.750 10.590 -9.713 1.00 73.22 H new ATOM 0 HA3 GLY A 5 -21.906 9.158 -10.711 1.00 73.22 H new ATOM 72 N VAL A 6 -20.295 10.001 -12.650 1.00 24.22 N ATOM 73 CA VAL A 6 -19.132 10.193 -13.560 1.00 44.11 C ATOM 74 C VAL A 6 -17.847 9.503 -13.040 1.00 32.31 C ATOM 75 O VAL A 6 -17.286 8.644 -13.728 1.00 54.34 O ATOM 76 CB VAL A 6 -18.845 11.711 -13.911 1.00 4.14 C ATOM 77 CG1 VAL A 6 -17.590 11.878 -14.805 1.00 72.35 C ATOM 78 CG2 VAL A 6 -20.073 12.375 -14.583 1.00 25.31 C ATOM 0 H VAL A 6 -20.991 9.366 -13.041 1.00 24.22 H new ATOM 0 HA VAL A 6 -19.426 9.702 -14.488 1.00 44.11 H new ATOM 0 HB VAL A 6 -18.648 12.217 -12.966 1.00 4.14 H new ATOM 0 HG11 VAL A 6 -17.434 12.935 -15.019 1.00 72.35 H new ATOM 0 HG12 VAL A 6 -16.718 11.480 -14.286 1.00 72.35 H new ATOM 0 HG13 VAL A 6 -17.734 11.336 -15.740 1.00 72.35 H new ATOM 0 HG21 VAL A 6 -19.844 13.416 -14.811 1.00 25.31 H new ATOM 0 HG22 VAL A 6 -20.314 11.846 -15.505 1.00 25.31 H new ATOM 0 HG23 VAL A 6 -20.926 12.331 -13.906 1.00 25.31 H new ATOM 88 N ALA A 7 -17.395 9.898 -11.839 1.00 12.13 N ATOM 89 CA ALA A 7 -16.160 9.389 -11.208 1.00 22.31 C ATOM 90 C ALA A 7 -16.160 7.848 -11.017 1.00 12.15 C ATOM 91 O ALA A 7 -17.039 7.296 -10.346 1.00 22.25 O ATOM 92 CB ALA A 7 -15.949 10.095 -9.864 1.00 42.34 C ATOM 0 H ALA A 7 -17.882 10.589 -11.269 1.00 12.13 H new ATOM 0 HA ALA A 7 -15.335 9.610 -11.885 1.00 22.31 H new ATOM 0 HB1 ALA A 7 -15.038 9.721 -9.396 1.00 42.34 H new ATOM 0 HB2 ALA A 7 -15.859 11.169 -10.027 1.00 42.34 H new ATOM 0 HB3 ALA A 7 -16.800 9.897 -9.212 1.00 42.34 H new ATOM 98 N LYS A 8 -15.158 7.174 -11.621 1.00 54.53 N ATOM 99 CA LYS A 8 -14.925 5.716 -11.456 1.00 21.32 C ATOM 100 C LYS A 8 -13.413 5.451 -11.328 1.00 34.34 C ATOM 101 O LYS A 8 -12.618 6.019 -12.079 1.00 21.12 O ATOM 102 CB LYS A 8 -15.539 4.873 -12.629 1.00 63.32 C ATOM 103 CG LYS A 8 -14.921 5.076 -14.043 1.00 1.21 C ATOM 104 CD LYS A 8 -15.332 6.416 -14.697 1.00 3.20 C ATOM 105 CE LYS A 8 -14.545 6.744 -15.974 1.00 71.24 C ATOM 106 NZ LYS A 8 -14.934 8.062 -16.542 1.00 3.30 N ATOM 0 H LYS A 8 -14.483 7.624 -12.240 1.00 54.53 H new ATOM 0 HA LYS A 8 -15.434 5.397 -10.546 1.00 21.32 H new ATOM 0 HB2 LYS A 8 -15.452 3.818 -12.370 1.00 63.32 H new ATOM 0 HB3 LYS A 8 -16.603 5.100 -12.689 1.00 63.32 H new ATOM 0 HG2 LYS A 8 -13.834 5.033 -13.968 1.00 1.21 H new ATOM 0 HG3 LYS A 8 -15.228 4.254 -14.689 1.00 1.21 H new ATOM 0 HD2 LYS A 8 -16.395 6.384 -14.934 1.00 3.20 H new ATOM 0 HD3 LYS A 8 -15.190 7.221 -13.976 1.00 3.20 H new ATOM 0 HE2 LYS A 8 -13.478 6.745 -15.753 1.00 71.24 H new ATOM 0 HE3 LYS A 8 -14.716 5.964 -16.716 1.00 71.24 H new ATOM 0 HZ1 LYS A 8 -15.380 7.922 -17.471 1.00 3.30 H new ATOM 0 HZ2 LYS A 8 -15.607 8.531 -15.902 1.00 3.30 H new ATOM 0 HZ3 LYS A 8 -14.088 8.657 -16.651 1.00 3.30 H new ATOM 120 N LEU A 9 -13.022 4.609 -10.359 1.00 44.05 N ATOM 121 CA LEU A 9 -11.598 4.350 -10.044 1.00 15.15 C ATOM 122 C LEU A 9 -11.027 3.294 -11.016 1.00 42.25 C ATOM 123 O LEU A 9 -11.562 2.188 -11.121 1.00 23.32 O ATOM 124 CB LEU A 9 -11.463 3.894 -8.548 1.00 45.13 C ATOM 125 CG LEU A 9 -10.102 4.199 -7.813 1.00 35.43 C ATOM 126 CD1 LEU A 9 -10.228 3.916 -6.302 1.00 20.22 C ATOM 127 CD2 LEU A 9 -8.903 3.422 -8.403 1.00 52.15 C ATOM 0 H LEU A 9 -13.675 4.089 -9.772 1.00 44.05 H new ATOM 0 HA LEU A 9 -11.019 5.265 -10.171 1.00 15.15 H new ATOM 0 HB2 LEU A 9 -12.265 4.365 -7.979 1.00 45.13 H new ATOM 0 HB3 LEU A 9 -11.633 2.818 -8.508 1.00 45.13 H new ATOM 0 HG LEU A 9 -9.898 5.258 -7.972 1.00 35.43 H new ATOM 0 HD11 LEU A 9 -9.279 4.132 -5.811 1.00 20.22 H new ATOM 0 HD12 LEU A 9 -11.008 4.548 -5.877 1.00 20.22 H new ATOM 0 HD13 LEU A 9 -10.486 2.868 -6.148 1.00 20.22 H new ATOM 0 HD21 LEU A 9 -7.998 3.677 -7.852 1.00 52.15 H new ATOM 0 HD22 LEU A 9 -9.088 2.351 -8.321 1.00 52.15 H new ATOM 0 HD23 LEU A 9 -8.777 3.689 -9.452 1.00 52.15 H new ATOM 139 N THR A 10 -9.956 3.667 -11.737 1.00 3.11 N ATOM 140 CA THR A 10 -9.183 2.748 -12.591 1.00 54.13 C ATOM 141 C THR A 10 -7.797 2.516 -11.958 1.00 40.31 C ATOM 142 O THR A 10 -7.267 3.396 -11.266 1.00 72.12 O ATOM 143 CB THR A 10 -9.073 3.323 -14.044 1.00 54.40 C ATOM 144 OG1 THR A 10 -10.395 3.484 -14.579 1.00 74.03 O ATOM 145 CG2 THR A 10 -8.256 2.444 -15.008 1.00 72.34 C ATOM 0 H THR A 10 -9.599 4.623 -11.744 1.00 3.11 H new ATOM 0 HA THR A 10 -9.692 1.787 -12.663 1.00 54.13 H new ATOM 0 HB THR A 10 -8.544 4.272 -13.962 1.00 54.40 H new ATOM 0 HG1 THR A 10 -10.338 3.845 -15.488 1.00 74.03 H new ATOM 0 HG21 THR A 10 -8.228 2.912 -15.992 1.00 72.34 H new ATOM 0 HG22 THR A 10 -7.240 2.335 -14.629 1.00 72.34 H new ATOM 0 HG23 THR A 10 -8.721 1.461 -15.087 1.00 72.34 H new ATOM 153 N THR A 11 -7.226 1.336 -12.222 1.00 40.13 N ATOM 154 CA THR A 11 -5.995 0.836 -11.584 1.00 4.31 C ATOM 155 C THR A 11 -4.745 1.748 -11.756 1.00 11.34 C ATOM 156 O THR A 11 -3.798 1.601 -10.979 1.00 13.23 O ATOM 157 CB THR A 11 -5.689 -0.600 -12.113 1.00 61.31 C ATOM 158 OG1 THR A 11 -5.661 -0.583 -13.548 1.00 62.11 O ATOM 159 CG2 THR A 11 -6.733 -1.638 -11.634 1.00 43.42 C ATOM 0 H THR A 11 -7.614 0.683 -12.902 1.00 40.13 H new ATOM 0 HA THR A 11 -6.194 0.830 -10.512 1.00 4.31 H new ATOM 0 HB THR A 11 -4.720 -0.898 -11.713 1.00 61.31 H new ATOM 0 HG1 THR A 11 -5.467 -1.484 -13.882 1.00 62.11 H new ATOM 0 HG21 THR A 11 -6.476 -2.621 -12.028 1.00 43.42 H new ATOM 0 HG22 THR A 11 -6.737 -1.674 -10.545 1.00 43.42 H new ATOM 0 HG23 THR A 11 -7.722 -1.351 -11.991 1.00 43.42 H new ATOM 167 N TYR A 12 -4.754 2.675 -12.755 1.00 54.12 N ATOM 168 CA TYR A 12 -3.574 3.511 -13.120 1.00 3.44 C ATOM 169 C TYR A 12 -2.889 4.160 -11.891 1.00 21.02 C ATOM 170 O TYR A 12 -1.671 4.080 -11.748 1.00 2.33 O ATOM 171 CB TYR A 12 -3.960 4.603 -14.164 1.00 73.33 C ATOM 172 CG TYR A 12 -4.849 5.748 -13.635 1.00 53.52 C ATOM 173 CD1 TYR A 12 -6.208 5.557 -13.399 1.00 5.51 C ATOM 174 CD2 TYR A 12 -4.317 7.016 -13.356 1.00 40.44 C ATOM 175 CE1 TYR A 12 -7.002 6.574 -12.910 1.00 13.40 C ATOM 176 CE2 TYR A 12 -5.109 8.031 -12.868 1.00 71.13 C ATOM 177 CZ TYR A 12 -6.449 7.806 -12.648 1.00 24.15 C ATOM 178 OH TYR A 12 -7.243 8.825 -12.173 1.00 64.31 O ATOM 0 H TYR A 12 -5.577 2.863 -13.328 1.00 54.12 H new ATOM 0 HA TYR A 12 -2.849 2.832 -13.568 1.00 3.44 H new ATOM 0 HB2 TYR A 12 -3.044 5.035 -14.567 1.00 73.33 H new ATOM 0 HB3 TYR A 12 -4.476 4.120 -14.994 1.00 73.33 H new ATOM 0 HD1 TYR A 12 -6.650 4.593 -13.603 1.00 5.51 H new ATOM 0 HD2 TYR A 12 -3.267 7.199 -13.527 1.00 40.44 H new ATOM 0 HE1 TYR A 12 -8.054 6.403 -12.734 1.00 13.40 H new ATOM 0 HE2 TYR A 12 -4.681 9.000 -12.659 1.00 71.13 H new ATOM 0 HH TYR A 12 -6.767 9.677 -12.257 1.00 64.31 H new ATOM 188 N ALA A 13 -3.706 4.719 -10.977 1.00 5.33 N ATOM 189 CA ALA A 13 -3.227 5.463 -9.801 1.00 70.01 C ATOM 190 C ALA A 13 -2.531 4.534 -8.782 1.00 63.22 C ATOM 191 O ALA A 13 -1.543 4.927 -8.148 1.00 34.43 O ATOM 192 CB ALA A 13 -4.405 6.201 -9.149 1.00 73.04 C ATOM 0 H ALA A 13 -4.723 4.665 -11.037 1.00 5.33 H new ATOM 0 HA ALA A 13 -2.483 6.188 -10.131 1.00 70.01 H new ATOM 0 HB1 ALA A 13 -4.052 6.752 -8.278 1.00 73.04 H new ATOM 0 HB2 ALA A 13 -4.841 6.896 -9.866 1.00 73.04 H new ATOM 0 HB3 ALA A 13 -5.160 5.479 -8.839 1.00 73.04 H new ATOM 198 N SER A 14 -3.050 3.290 -8.661 1.00 15.45 N ATOM 199 CA SER A 14 -2.520 2.282 -7.719 1.00 72.21 C ATOM 200 C SER A 14 -1.254 1.588 -8.277 1.00 2.00 C ATOM 201 O SER A 14 -0.478 1.004 -7.509 1.00 53.22 O ATOM 202 CB SER A 14 -3.618 1.240 -7.347 1.00 52.32 C ATOM 203 OG SER A 14 -4.121 0.552 -8.477 1.00 3.43 O ATOM 0 H SER A 14 -3.843 2.960 -9.211 1.00 15.45 H new ATOM 0 HA SER A 14 -2.226 2.804 -6.808 1.00 72.21 H new ATOM 0 HB2 SER A 14 -3.205 0.519 -6.641 1.00 52.32 H new ATOM 0 HB3 SER A 14 -4.439 1.748 -6.840 1.00 52.32 H new ATOM 0 HG SER A 14 -3.826 1.005 -9.294 1.00 3.43 H new ATOM 209 N LYS A 15 -1.069 1.634 -9.617 1.00 23.05 N ATOM 210 CA LYS A 15 0.142 1.088 -10.284 1.00 51.11 C ATOM 211 C LYS A 15 1.292 2.114 -10.254 1.00 71.52 C ATOM 212 O LYS A 15 2.451 1.752 -9.997 1.00 40.51 O ATOM 213 CB LYS A 15 -0.185 0.658 -11.744 1.00 62.44 C ATOM 214 CG LYS A 15 -1.366 -0.332 -11.855 1.00 31.01 C ATOM 215 CD LYS A 15 -1.189 -1.578 -10.956 1.00 4.40 C ATOM 216 CE LYS A 15 -2.440 -2.464 -10.923 1.00 15.51 C ATOM 217 NZ LYS A 15 -2.271 -3.623 -10.010 1.00 52.11 N ATOM 0 H LYS A 15 -1.744 2.045 -10.262 1.00 23.05 H new ATOM 0 HA LYS A 15 0.468 0.204 -9.735 1.00 51.11 H new ATOM 0 HB2 LYS A 15 -0.412 1.547 -12.332 1.00 62.44 H new ATOM 0 HB3 LYS A 15 0.701 0.202 -12.185 1.00 62.44 H new ATOM 0 HG2 LYS A 15 -2.289 0.179 -11.583 1.00 31.01 H new ATOM 0 HG3 LYS A 15 -1.472 -0.650 -12.892 1.00 31.01 H new ATOM 0 HD2 LYS A 15 -0.343 -2.164 -11.316 1.00 4.40 H new ATOM 0 HD3 LYS A 15 -0.948 -1.259 -9.942 1.00 4.40 H new ATOM 0 HE2 LYS A 15 -3.297 -1.871 -10.603 1.00 15.51 H new ATOM 0 HE3 LYS A 15 -2.658 -2.823 -11.929 1.00 15.51 H new ATOM 0 HZ1 LYS A 15 -3.087 -4.261 -10.104 1.00 52.11 H new ATOM 0 HZ2 LYS A 15 -1.401 -4.136 -10.257 1.00 52.11 H new ATOM 0 HZ3 LYS A 15 -2.207 -3.285 -9.028 1.00 52.11 H new ATOM 231 N GLN A 16 0.949 3.404 -10.487 1.00 52.10 N ATOM 232 CA GLN A 16 1.898 4.527 -10.341 1.00 53.42 C ATOM 233 C GLN A 16 2.457 4.556 -8.910 1.00 33.22 C ATOM 234 O GLN A 16 3.630 4.880 -8.691 1.00 12.23 O ATOM 235 CB GLN A 16 1.206 5.885 -10.663 1.00 72.03 C ATOM 236 CG GLN A 16 0.744 6.045 -12.126 1.00 12.04 C ATOM 237 CD GLN A 16 1.876 5.979 -13.154 1.00 44.20 C ATOM 238 OE1 GLN A 16 3.018 6.349 -12.881 1.00 43.22 O ATOM 239 NE2 GLN A 16 1.561 5.526 -14.358 1.00 15.14 N ATOM 0 H GLN A 16 0.015 3.691 -10.779 1.00 52.10 H new ATOM 0 HA GLN A 16 2.714 4.380 -11.048 1.00 53.42 H new ATOM 0 HB2 GLN A 16 0.342 6.000 -10.009 1.00 72.03 H new ATOM 0 HB3 GLN A 16 1.896 6.694 -10.424 1.00 72.03 H new ATOM 0 HG2 GLN A 16 0.017 5.265 -12.353 1.00 12.04 H new ATOM 0 HG3 GLN A 16 0.230 7.000 -12.230 1.00 12.04 H new ATOM 0 HE21 GLN A 16 0.607 5.226 -14.556 1.00 15.14 H new ATOM 0 HE22 GLN A 16 2.273 5.477 -15.087 1.00 15.14 H new ATOM 248 N ALA A 17 1.582 4.178 -7.955 1.00 55.41 N ATOM 249 CA ALA A 17 1.910 4.103 -6.534 1.00 1.04 C ATOM 250 C ALA A 17 3.070 3.134 -6.252 1.00 32.24 C ATOM 251 O ALA A 17 4.024 3.501 -5.559 1.00 63.01 O ATOM 252 CB ALA A 17 0.664 3.710 -5.740 1.00 45.31 C ATOM 0 H ALA A 17 0.618 3.915 -8.162 1.00 55.41 H new ATOM 0 HA ALA A 17 2.247 5.089 -6.215 1.00 1.04 H new ATOM 0 HB1 ALA A 17 0.911 3.654 -4.680 1.00 45.31 H new ATOM 0 HB2 ALA A 17 -0.115 4.457 -5.893 1.00 45.31 H new ATOM 0 HB3 ALA A 17 0.307 2.738 -6.081 1.00 45.31 H new ATOM 258 N THR A 18 2.990 1.910 -6.812 1.00 71.54 N ATOM 259 CA THR A 18 4.004 0.861 -6.592 1.00 52.04 C ATOM 260 C THR A 18 5.336 1.204 -7.280 1.00 12.31 C ATOM 261 O THR A 18 6.413 0.856 -6.764 1.00 31.43 O ATOM 262 CB THR A 18 3.472 -0.538 -7.051 1.00 0.13 C ATOM 263 OG1 THR A 18 3.036 -0.482 -8.416 1.00 50.21 O ATOM 264 CG2 THR A 18 2.306 -1.020 -6.177 1.00 4.24 C ATOM 0 H THR A 18 2.227 1.623 -7.425 1.00 71.54 H new ATOM 0 HA THR A 18 4.198 0.812 -5.520 1.00 52.04 H new ATOM 0 HB THR A 18 4.297 -1.243 -6.949 1.00 0.13 H new ATOM 0 HG1 THR A 18 3.068 0.445 -8.732 1.00 50.21 H new ATOM 0 HG21 THR A 18 1.966 -1.994 -6.529 1.00 4.24 H new ATOM 0 HG22 THR A 18 2.637 -1.103 -5.142 1.00 4.24 H new ATOM 0 HG23 THR A 18 1.485 -0.305 -6.239 1.00 4.24 H new ATOM 272 N ASP A 19 5.251 1.906 -8.433 1.00 72.50 N ATOM 273 CA ASP A 19 6.443 2.407 -9.149 1.00 63.22 C ATOM 274 C ASP A 19 7.247 3.391 -8.274 1.00 44.22 C ATOM 275 O ASP A 19 8.470 3.267 -8.135 1.00 42.02 O ATOM 276 CB ASP A 19 6.045 3.100 -10.484 1.00 51.23 C ATOM 277 CG ASP A 19 5.475 2.142 -11.546 1.00 45.31 C ATOM 278 OD1 ASP A 19 6.153 1.145 -11.883 1.00 44.44 O ATOM 279 OD2 ASP A 19 4.376 2.395 -12.077 1.00 33.34 O ATOM 0 H ASP A 19 4.367 2.138 -8.887 1.00 72.50 H new ATOM 0 HA ASP A 19 7.070 1.544 -9.373 1.00 63.22 H new ATOM 0 HB2 ASP A 19 5.305 3.872 -10.273 1.00 51.23 H new ATOM 0 HB3 ASP A 19 6.921 3.601 -10.896 1.00 51.23 H new ATOM 284 N MET A 20 6.534 4.358 -7.671 1.00 25.13 N ATOM 285 CA MET A 20 7.149 5.429 -6.858 1.00 4.40 C ATOM 286 C MET A 20 7.598 4.906 -5.480 1.00 41.04 C ATOM 287 O MET A 20 8.616 5.350 -4.948 1.00 34.33 O ATOM 288 CB MET A 20 6.159 6.613 -6.697 1.00 63.45 C ATOM 289 CG MET A 20 5.814 7.338 -8.007 1.00 4.55 C ATOM 290 SD MET A 20 4.605 8.660 -7.767 1.00 15.22 S ATOM 291 CE MET A 20 3.170 7.748 -7.188 1.00 22.11 C ATOM 0 H MET A 20 5.518 4.422 -7.731 1.00 25.13 H new ATOM 0 HA MET A 20 8.039 5.780 -7.381 1.00 4.40 H new ATOM 0 HB2 MET A 20 5.238 6.241 -6.249 1.00 63.45 H new ATOM 0 HB3 MET A 20 6.585 7.334 -5.999 1.00 63.45 H new ATOM 0 HG2 MET A 20 6.724 7.756 -8.438 1.00 4.55 H new ATOM 0 HG3 MET A 20 5.422 6.618 -8.725 1.00 4.55 H new ATOM 0 HE1 MET A 20 2.299 8.026 -7.781 1.00 22.11 H new ATOM 0 HE2 MET A 20 3.353 6.678 -7.291 1.00 22.11 H new ATOM 0 HE3 MET A 20 2.987 7.985 -6.140 1.00 22.11 H new ATOM 301 N GLY A 21 6.833 3.956 -4.914 1.00 62.52 N ATOM 302 CA GLY A 21 7.150 3.369 -3.609 1.00 43.24 C ATOM 303 C GLY A 21 5.903 3.030 -2.809 1.00 64.52 C ATOM 304 O GLY A 21 5.483 3.800 -1.937 1.00 35.35 O ATOM 0 H GLY A 21 5.989 3.580 -5.345 1.00 62.52 H new ATOM 0 HA2 GLY A 21 7.742 2.466 -3.754 1.00 43.24 H new ATOM 0 HA3 GLY A 21 7.765 4.066 -3.040 1.00 43.24 H new ATOM 308 N ALA A 22 5.300 1.878 -3.138 1.00 1.12 N ATOM 309 CA ALA A 22 4.157 1.314 -2.403 1.00 23.14 C ATOM 310 C ALA A 22 4.116 -0.212 -2.596 1.00 15.33 C ATOM 311 O ALA A 22 4.583 -0.726 -3.619 1.00 34.03 O ATOM 312 CB ALA A 22 2.835 1.970 -2.840 1.00 65.12 C ATOM 0 H ALA A 22 5.595 1.306 -3.929 1.00 1.12 H new ATOM 0 HA ALA A 22 4.284 1.527 -1.342 1.00 23.14 H new ATOM 0 HB1 ALA A 22 2.009 1.532 -2.279 1.00 65.12 H new ATOM 0 HB2 ALA A 22 2.879 3.042 -2.645 1.00 65.12 H new ATOM 0 HB3 ALA A 22 2.680 1.801 -3.906 1.00 65.12 H new ATOM 318 N ILE A 23 3.569 -0.927 -1.598 1.00 41.43 N ATOM 319 CA ILE A 23 3.497 -2.410 -1.589 1.00 14.12 C ATOM 320 C ILE A 23 2.034 -2.875 -1.475 1.00 4.32 C ATOM 321 O ILE A 23 1.214 -2.205 -0.837 1.00 52.14 O ATOM 322 CB ILE A 23 4.339 -3.025 -0.393 1.00 33.12 C ATOM 323 CG1 ILE A 23 3.822 -2.486 0.987 1.00 34.51 C ATOM 324 CG2 ILE A 23 5.853 -2.742 -0.568 1.00 11.32 C ATOM 325 CD1 ILE A 23 4.520 -3.044 2.222 1.00 0.41 C ATOM 0 H ILE A 23 3.161 -0.497 -0.768 1.00 41.43 H new ATOM 0 HA ILE A 23 3.922 -2.763 -2.529 1.00 14.12 H new ATOM 0 HB ILE A 23 4.201 -4.106 -0.408 1.00 33.12 H new ATOM 0 HG12 ILE A 23 3.926 -1.401 0.994 1.00 34.51 H new ATOM 0 HG13 ILE A 23 2.757 -2.705 1.065 1.00 34.51 H new ATOM 0 HG21 ILE A 23 6.403 -3.176 0.267 1.00 11.32 H new ATOM 0 HG22 ILE A 23 6.201 -3.185 -1.501 1.00 11.32 H new ATOM 0 HG23 ILE A 23 6.021 -1.665 -0.593 1.00 11.32 H new ATOM 0 HD11 ILE A 23 4.083 -2.603 3.118 1.00 0.41 H new ATOM 0 HD12 ILE A 23 4.395 -4.126 2.253 1.00 0.41 H new ATOM 0 HD13 ILE A 23 5.582 -2.802 2.180 1.00 0.41 H new ATOM 337 N TYR A 24 1.715 -4.037 -2.077 1.00 52.11 N ATOM 338 CA TYR A 24 0.392 -4.668 -1.928 1.00 21.24 C ATOM 339 C TYR A 24 0.482 -5.750 -0.849 1.00 52.23 C ATOM 340 O TYR A 24 1.246 -6.716 -0.985 1.00 55.43 O ATOM 341 CB TYR A 24 -0.114 -5.308 -3.247 1.00 42.31 C ATOM 342 CG TYR A 24 -0.474 -4.327 -4.379 1.00 2.34 C ATOM 343 CD1 TYR A 24 -1.564 -3.452 -4.263 1.00 51.43 C ATOM 344 CD2 TYR A 24 0.224 -4.329 -5.591 1.00 1.53 C ATOM 345 CE1 TYR A 24 -1.933 -2.622 -5.315 1.00 4.13 C ATOM 346 CE2 TYR A 24 -0.137 -3.495 -6.631 1.00 75.55 C ATOM 347 CZ TYR A 24 -1.213 -2.649 -6.495 1.00 41.11 C ATOM 348 OH TYR A 24 -1.583 -1.843 -7.555 1.00 52.44 O ATOM 0 H TYR A 24 2.359 -4.558 -2.673 1.00 52.11 H new ATOM 0 HA TYR A 24 -0.318 -3.889 -1.650 1.00 21.24 H new ATOM 0 HB2 TYR A 24 0.653 -5.990 -3.614 1.00 42.31 H new ATOM 0 HB3 TYR A 24 -0.994 -5.910 -3.021 1.00 42.31 H new ATOM 0 HD1 TYR A 24 -2.126 -3.423 -3.341 1.00 51.43 H new ATOM 0 HD2 TYR A 24 1.063 -4.997 -5.716 1.00 1.53 H new ATOM 0 HE1 TYR A 24 -2.779 -1.959 -5.211 1.00 4.13 H new ATOM 0 HE2 TYR A 24 0.426 -3.507 -7.552 1.00 75.55 H new ATOM 0 HH TYR A 24 -1.181 -0.956 -7.447 1.00 52.44 H new ATOM 358 N VAL A 25 -0.307 -5.577 0.216 1.00 64.34 N ATOM 359 CA VAL A 25 -0.378 -6.510 1.348 1.00 74.53 C ATOM 360 C VAL A 25 -1.758 -7.190 1.397 1.00 54.34 C ATOM 361 O VAL A 25 -2.692 -6.750 0.718 1.00 21.32 O ATOM 362 CB VAL A 25 -0.081 -5.777 2.711 1.00 43.13 C ATOM 363 CG1 VAL A 25 1.339 -5.160 2.723 1.00 44.33 C ATOM 364 CG2 VAL A 25 -1.148 -4.716 3.047 1.00 23.04 C ATOM 0 H VAL A 25 -0.925 -4.772 0.319 1.00 64.34 H new ATOM 0 HA VAL A 25 0.386 -7.273 1.202 1.00 74.53 H new ATOM 0 HB VAL A 25 -0.126 -6.536 3.492 1.00 43.13 H new ATOM 0 HG11 VAL A 25 1.511 -4.662 3.677 1.00 44.33 H new ATOM 0 HG12 VAL A 25 2.079 -5.948 2.586 1.00 44.33 H new ATOM 0 HG13 VAL A 25 1.427 -4.435 1.914 1.00 44.33 H new ATOM 0 HG21 VAL A 25 -0.900 -4.238 3.995 1.00 23.04 H new ATOM 0 HG22 VAL A 25 -1.175 -3.965 2.258 1.00 23.04 H new ATOM 0 HG23 VAL A 25 -2.124 -5.194 3.126 1.00 23.04 H new ATOM 374 N ASN A 26 -1.876 -8.275 2.183 1.00 35.42 N ATOM 375 CA ASN A 26 -3.157 -8.996 2.370 1.00 61.13 C ATOM 376 C ASN A 26 -3.885 -8.514 3.642 1.00 35.23 C ATOM 377 O ASN A 26 -3.507 -7.493 4.236 1.00 60.30 O ATOM 378 CB ASN A 26 -2.944 -10.544 2.374 1.00 13.14 C ATOM 379 CG ASN A 26 -2.004 -11.111 3.443 1.00 62.23 C ATOM 380 OD1 ASN A 26 -1.806 -10.538 4.500 1.00 35.02 O ATOM 381 ND2 ASN A 26 -1.457 -12.288 3.188 1.00 72.44 N ATOM 0 H ASN A 26 -1.097 -8.677 2.704 1.00 35.42 H new ATOM 0 HA ASN A 26 -3.799 -8.764 1.520 1.00 61.13 H new ATOM 0 HB2 ASN A 26 -3.917 -11.020 2.491 1.00 13.14 H new ATOM 0 HB3 ASN A 26 -2.562 -10.836 1.396 1.00 13.14 H new ATOM 0 HD21 ASN A 26 -0.857 -12.733 3.883 1.00 72.44 H new ATOM 0 HD22 ASN A 26 -1.635 -12.751 2.297 1.00 72.44 H new ATOM 388 N SER A 27 -4.936 -9.267 4.042 1.00 0.12 N ATOM 389 CA SER A 27 -5.801 -8.923 5.183 1.00 74.32 C ATOM 390 C SER A 27 -5.064 -9.058 6.543 1.00 42.42 C ATOM 391 O SER A 27 -5.546 -8.557 7.565 1.00 71.31 O ATOM 392 CB SER A 27 -7.075 -9.798 5.143 1.00 34.43 C ATOM 393 OG SER A 27 -7.990 -9.456 6.174 1.00 71.32 O ATOM 0 H SER A 27 -5.205 -10.134 3.576 1.00 0.12 H new ATOM 0 HA SER A 27 -6.083 -7.874 5.094 1.00 74.32 H new ATOM 0 HB2 SER A 27 -7.562 -9.685 4.174 1.00 34.43 H new ATOM 0 HB3 SER A 27 -6.797 -10.847 5.239 1.00 34.43 H new ATOM 0 HG SER A 27 -7.501 -9.069 6.930 1.00 71.32 H new ATOM 399 N LYS A 28 -3.895 -9.734 6.548 1.00 10.22 N ATOM 400 CA LYS A 28 -3.028 -9.816 7.741 1.00 20.13 C ATOM 401 C LYS A 28 -2.005 -8.676 7.700 1.00 41.20 C ATOM 402 O LYS A 28 -1.845 -7.932 8.664 1.00 5.13 O ATOM 403 CB LYS A 28 -2.308 -11.192 7.825 1.00 11.13 C ATOM 404 CG LYS A 28 -3.251 -12.410 7.785 1.00 41.34 C ATOM 405 CD LYS A 28 -4.320 -12.380 8.899 1.00 52.20 C ATOM 406 CE LYS A 28 -5.304 -13.550 8.802 1.00 24.24 C ATOM 407 NZ LYS A 28 -6.344 -13.476 9.860 1.00 4.01 N ATOM 0 H LYS A 28 -3.530 -10.232 5.736 1.00 10.22 H new ATOM 0 HA LYS A 28 -3.649 -9.719 8.632 1.00 20.13 H new ATOM 0 HB2 LYS A 28 -1.601 -11.269 6.999 1.00 11.13 H new ATOM 0 HB3 LYS A 28 -1.727 -11.228 8.747 1.00 11.13 H new ATOM 0 HG2 LYS A 28 -3.746 -12.448 6.815 1.00 41.34 H new ATOM 0 HG3 LYS A 28 -2.662 -13.322 7.878 1.00 41.34 H new ATOM 0 HD2 LYS A 28 -3.827 -12.404 9.871 1.00 52.20 H new ATOM 0 HD3 LYS A 28 -4.871 -11.441 8.844 1.00 52.20 H new ATOM 0 HE2 LYS A 28 -5.780 -13.546 7.821 1.00 24.24 H new ATOM 0 HE3 LYS A 28 -4.761 -14.491 8.889 1.00 24.24 H new ATOM 0 HZ1 LYS A 28 -6.993 -14.283 9.765 1.00 4.01 H new ATOM 0 HZ2 LYS A 28 -5.890 -13.505 10.795 1.00 4.01 H new ATOM 0 HZ3 LYS A 28 -6.877 -12.589 9.761 1.00 4.01 H new ATOM 421 N GLY A 29 -1.342 -8.537 6.547 1.00 12.12 N ATOM 422 CA GLY A 29 -0.331 -7.506 6.332 1.00 2.22 C ATOM 423 C GLY A 29 0.840 -7.980 5.489 1.00 14.11 C ATOM 424 O GLY A 29 1.731 -7.192 5.216 1.00 52.11 O ATOM 0 H GLY A 29 -1.494 -9.139 5.738 1.00 12.12 H new ATOM 0 HA2 GLY A 29 -0.795 -6.647 5.847 1.00 2.22 H new ATOM 0 HA3 GLY A 29 0.040 -7.164 7.298 1.00 2.22 H new ATOM 428 N ASP A 30 0.832 -9.260 5.064 1.00 72.42 N ATOM 429 CA ASP A 30 1.914 -9.854 4.241 1.00 3.33 C ATOM 430 C ASP A 30 1.953 -9.214 2.849 1.00 71.53 C ATOM 431 O ASP A 30 0.944 -9.261 2.138 1.00 13.24 O ATOM 432 CB ASP A 30 1.701 -11.386 4.069 1.00 5.35 C ATOM 433 CG ASP A 30 1.599 -12.145 5.393 1.00 34.12 C ATOM 434 OD1 ASP A 30 0.523 -12.105 6.026 1.00 53.14 O ATOM 435 OD2 ASP A 30 2.591 -12.779 5.812 1.00 15.24 O ATOM 0 H ASP A 30 0.078 -9.913 5.279 1.00 72.42 H new ATOM 0 HA ASP A 30 2.854 -9.668 4.760 1.00 3.33 H new ATOM 0 HB2 ASP A 30 0.791 -11.555 3.493 1.00 5.35 H new ATOM 0 HB3 ASP A 30 2.527 -11.796 3.488 1.00 5.35 H new ATOM 440 N ARG A 31 3.102 -8.606 2.478 1.00 44.44 N ATOM 441 CA ARG A 31 3.337 -8.096 1.106 1.00 22.21 C ATOM 442 C ARG A 31 3.283 -9.268 0.092 1.00 73.34 C ATOM 443 O ARG A 31 4.273 -9.946 -0.165 1.00 74.41 O ATOM 444 CB ARG A 31 4.655 -7.238 0.975 1.00 45.44 C ATOM 445 CG ARG A 31 6.014 -7.899 1.383 1.00 43.32 C ATOM 446 CD ARG A 31 6.176 -8.070 2.904 1.00 44.14 C ATOM 447 NE ARG A 31 7.478 -8.614 3.302 1.00 51.04 N ATOM 448 CZ ARG A 31 7.760 -9.126 4.519 1.00 25.13 C ATOM 449 NH1 ARG A 31 6.826 -9.185 5.474 1.00 31.15 N ATOM 450 NH2 ARG A 31 8.988 -9.554 4.783 1.00 72.15 N ATOM 0 H ARG A 31 3.886 -8.455 3.113 1.00 44.44 H new ATOM 0 HA ARG A 31 2.533 -7.399 0.870 1.00 22.21 H new ATOM 0 HB2 ARG A 31 4.740 -6.916 -0.063 1.00 45.44 H new ATOM 0 HB3 ARG A 31 4.528 -6.339 1.578 1.00 45.44 H new ATOM 0 HG2 ARG A 31 6.093 -8.875 0.904 1.00 43.32 H new ATOM 0 HG3 ARG A 31 6.835 -7.290 1.003 1.00 43.32 H new ATOM 0 HD2 ARG A 31 6.034 -7.103 3.386 1.00 44.14 H new ATOM 0 HD3 ARG A 31 5.389 -8.729 3.272 1.00 44.14 H new ATOM 0 HE ARG A 31 8.226 -8.605 2.608 1.00 51.04 H new ATOM 0 HH11 ARG A 31 5.884 -8.840 5.288 1.00 31.15 H new ATOM 0 HH12 ARG A 31 7.055 -9.575 6.388 1.00 31.15 H new ATOM 0 HH21 ARG A 31 9.713 -9.495 4.068 1.00 72.15 H new ATOM 0 HH22 ARG A 31 9.207 -9.942 5.701 1.00 72.15 H new ATOM 464 N ILE A 32 2.065 -9.509 -0.429 1.00 52.42 N ATOM 465 CA ILE A 32 1.740 -10.658 -1.306 1.00 71.34 C ATOM 466 C ILE A 32 2.423 -10.576 -2.681 1.00 25.43 C ATOM 467 O ILE A 32 2.533 -11.589 -3.378 1.00 3.03 O ATOM 468 CB ILE A 32 0.185 -10.790 -1.500 1.00 20.32 C ATOM 469 CG1 ILE A 32 -0.424 -9.430 -1.988 1.00 43.32 C ATOM 470 CG2 ILE A 32 -0.488 -11.299 -0.206 1.00 62.33 C ATOM 471 CD1 ILE A 32 -1.919 -9.438 -2.220 1.00 21.23 C ATOM 0 H ILE A 32 1.264 -8.903 -0.252 1.00 52.42 H new ATOM 0 HA ILE A 32 2.126 -11.543 -0.800 1.00 71.34 H new ATOM 0 HB ILE A 32 -0.011 -11.531 -2.275 1.00 20.32 H new ATOM 0 HG12 ILE A 32 -0.191 -8.661 -1.251 1.00 43.32 H new ATOM 0 HG13 ILE A 32 0.070 -9.142 -2.916 1.00 43.32 H new ATOM 0 HG21 ILE A 32 -1.563 -11.383 -0.364 1.00 62.33 H new ATOM 0 HG22 ILE A 32 -0.082 -12.277 0.055 1.00 62.33 H new ATOM 0 HG23 ILE A 32 -0.294 -10.598 0.605 1.00 62.33 H new ATOM 0 HD11 ILE A 32 -2.240 -8.452 -2.555 1.00 21.23 H new ATOM 0 HD12 ILE A 32 -2.165 -10.178 -2.982 1.00 21.23 H new ATOM 0 HD13 ILE A 32 -2.430 -9.690 -1.291 1.00 21.23 H new ATOM 483 N VAL A 33 2.862 -9.370 -3.064 1.00 4.22 N ATOM 484 CA VAL A 33 3.603 -9.152 -4.311 1.00 3.12 C ATOM 485 C VAL A 33 4.558 -7.945 -4.154 1.00 24.32 C ATOM 486 O VAL A 33 4.208 -6.933 -3.522 1.00 34.25 O ATOM 487 CB VAL A 33 2.636 -8.985 -5.551 1.00 64.43 C ATOM 488 CG1 VAL A 33 1.692 -7.773 -5.408 1.00 5.33 C ATOM 489 CG2 VAL A 33 3.429 -8.941 -6.876 1.00 24.30 C ATOM 0 H VAL A 33 2.713 -8.521 -2.519 1.00 4.22 H new ATOM 0 HA VAL A 33 4.204 -10.039 -4.512 1.00 3.12 H new ATOM 0 HB VAL A 33 1.997 -9.868 -5.575 1.00 64.43 H new ATOM 0 HG11 VAL A 33 1.051 -7.706 -6.287 1.00 5.33 H new ATOM 0 HG12 VAL A 33 1.076 -7.895 -4.517 1.00 5.33 H new ATOM 0 HG13 VAL A 33 2.282 -6.861 -5.319 1.00 5.33 H new ATOM 0 HG21 VAL A 33 2.737 -8.826 -7.710 1.00 24.30 H new ATOM 0 HG22 VAL A 33 4.120 -8.098 -6.859 1.00 24.30 H new ATOM 0 HG23 VAL A 33 3.990 -9.868 -6.995 1.00 24.30 H new ATOM 499 N ASN A 34 5.779 -8.097 -4.712 1.00 53.11 N ATOM 500 CA ASN A 34 6.864 -7.089 -4.651 1.00 11.23 C ATOM 501 C ASN A 34 6.521 -5.812 -5.463 1.00 73.11 C ATOM 502 O ASN A 34 6.807 -4.682 -5.042 1.00 23.44 O ATOM 503 CB ASN A 34 8.191 -7.701 -5.180 1.00 32.31 C ATOM 504 CG ASN A 34 8.140 -8.212 -6.635 1.00 11.40 C ATOM 505 OD1 ASN A 34 7.111 -8.690 -7.120 1.00 61.54 O ATOM 506 ND2 ASN A 34 9.247 -8.108 -7.342 1.00 71.14 N ATOM 0 H ASN A 34 6.044 -8.937 -5.226 1.00 53.11 H new ATOM 0 HA ASN A 34 6.979 -6.799 -3.606 1.00 11.23 H new ATOM 0 HB2 ASN A 34 8.976 -6.949 -5.102 1.00 32.31 H new ATOM 0 HB3 ASN A 34 8.476 -8.528 -4.530 1.00 32.31 H new ATOM 0 HD21 ASN A 34 9.265 -8.426 -8.311 1.00 71.14 H new ATOM 0 HD22 ASN A 34 10.086 -7.709 -6.920 1.00 71.14 H new ATOM 513 N GLU A 35 5.916 -6.043 -6.630 1.00 72.20 N ATOM 514 CA GLU A 35 5.601 -5.018 -7.642 1.00 32.34 C ATOM 515 C GLU A 35 4.531 -5.586 -8.577 1.00 34.13 C ATOM 516 O GLU A 35 4.530 -6.788 -8.860 1.00 1.01 O ATOM 517 CB GLU A 35 6.895 -4.637 -8.438 1.00 1.23 C ATOM 518 CG GLU A 35 6.701 -3.767 -9.713 1.00 74.21 C ATOM 519 CD GLU A 35 5.962 -2.436 -9.467 1.00 33.35 C ATOM 520 OE1 GLU A 35 6.446 -1.628 -8.644 1.00 75.51 O ATOM 521 OE2 GLU A 35 4.907 -2.190 -10.102 1.00 11.40 O ATOM 0 H GLU A 35 5.620 -6.978 -6.911 1.00 72.20 H new ATOM 0 HA GLU A 35 5.226 -4.112 -7.166 1.00 32.34 H new ATOM 0 HB2 GLU A 35 7.566 -4.106 -7.763 1.00 1.23 H new ATOM 0 HB3 GLU A 35 7.399 -5.559 -8.729 1.00 1.23 H new ATOM 0 HG2 GLU A 35 7.679 -3.552 -10.144 1.00 74.21 H new ATOM 0 HG3 GLU A 35 6.147 -4.345 -10.452 1.00 74.21 H new ATOM 528 N SER A 36 3.624 -4.725 -9.058 1.00 20.04 N ATOM 529 CA SER A 36 2.607 -5.109 -10.040 1.00 4.01 C ATOM 530 C SER A 36 3.238 -5.100 -11.452 1.00 60.51 C ATOM 531 O SER A 36 2.944 -4.233 -12.286 1.00 13.51 O ATOM 532 CB SER A 36 1.394 -4.158 -9.934 1.00 25.03 C ATOM 533 OG SER A 36 0.311 -4.607 -10.730 1.00 72.43 O ATOM 0 H SER A 36 3.577 -3.746 -8.777 1.00 20.04 H new ATOM 0 HA SER A 36 2.245 -6.118 -9.841 1.00 4.01 H new ATOM 0 HB2 SER A 36 1.077 -4.086 -8.894 1.00 25.03 H new ATOM 0 HB3 SER A 36 1.687 -3.156 -10.248 1.00 25.03 H new ATOM 0 HG SER A 36 0.382 -4.219 -11.627 1.00 72.43 H new ATOM 539 N ASN A 37 4.153 -6.068 -11.668 1.00 51.13 N ATOM 540 CA ASN A 37 4.890 -6.254 -12.934 1.00 41.53 C ATOM 541 C ASN A 37 3.918 -6.663 -14.053 1.00 11.53 C ATOM 542 O ASN A 37 4.011 -6.179 -15.188 1.00 25.24 O ATOM 543 CB ASN A 37 5.999 -7.323 -12.735 1.00 34.12 C ATOM 544 CG ASN A 37 6.869 -7.556 -13.977 1.00 62.04 C ATOM 545 OD1 ASN A 37 7.902 -6.908 -14.167 1.00 61.12 O ATOM 546 ND2 ASN A 37 6.469 -8.492 -14.822 1.00 74.30 N ATOM 0 H ASN A 37 4.404 -6.753 -10.955 1.00 51.13 H new ATOM 0 HA ASN A 37 5.362 -5.316 -13.226 1.00 41.53 H new ATOM 0 HB2 ASN A 37 6.639 -7.018 -11.907 1.00 34.12 H new ATOM 0 HB3 ASN A 37 5.534 -8.266 -12.448 1.00 34.12 H new ATOM 0 HD21 ASN A 37 7.019 -8.694 -15.657 1.00 74.30 H new ATOM 0 HD22 ASN A 37 5.611 -9.012 -14.639 1.00 74.30 H new ATOM 553 N VAL A 38 2.987 -7.559 -13.700 1.00 13.42 N ATOM 554 CA VAL A 38 1.867 -7.968 -14.563 1.00 74.24 C ATOM 555 C VAL A 38 0.608 -8.164 -13.694 1.00 52.33 C ATOM 556 O VAL A 38 0.717 -8.464 -12.490 1.00 54.22 O ATOM 557 CB VAL A 38 2.204 -9.283 -15.375 1.00 72.11 C ATOM 558 CG1 VAL A 38 2.481 -10.478 -14.443 1.00 41.15 C ATOM 559 CG2 VAL A 38 1.107 -9.618 -16.422 1.00 24.01 C ATOM 0 H VAL A 38 2.989 -8.028 -12.794 1.00 13.42 H new ATOM 0 HA VAL A 38 1.685 -7.183 -15.297 1.00 74.24 H new ATOM 0 HB VAL A 38 3.123 -9.084 -15.927 1.00 72.11 H new ATOM 0 HG11 VAL A 38 2.708 -11.361 -15.041 1.00 41.15 H new ATOM 0 HG12 VAL A 38 3.330 -10.248 -13.799 1.00 41.15 H new ATOM 0 HG13 VAL A 38 1.602 -10.672 -13.829 1.00 41.15 H new ATOM 0 HG21 VAL A 38 1.380 -10.528 -16.956 1.00 24.01 H new ATOM 0 HG22 VAL A 38 0.154 -9.766 -15.915 1.00 24.01 H new ATOM 0 HG23 VAL A 38 1.017 -8.795 -17.131 1.00 24.01 H new ATOM 569 N TYR A 39 -0.577 -7.982 -14.312 1.00 44.40 N ATOM 570 CA TYR A 39 -1.883 -8.151 -13.651 1.00 73.34 C ATOM 571 C TYR A 39 -2.053 -9.562 -13.064 1.00 44.31 C ATOM 572 O TYR A 39 -2.741 -9.733 -12.063 1.00 33.43 O ATOM 573 CB TYR A 39 -3.029 -7.831 -14.654 1.00 71.20 C ATOM 574 CG TYR A 39 -3.100 -8.762 -15.890 1.00 13.31 C ATOM 575 CD1 TYR A 39 -3.795 -9.983 -15.847 1.00 11.51 C ATOM 576 CD2 TYR A 39 -2.470 -8.429 -17.095 1.00 23.54 C ATOM 577 CE1 TYR A 39 -3.853 -10.821 -16.941 1.00 65.34 C ATOM 578 CE2 TYR A 39 -2.532 -9.273 -18.194 1.00 74.51 C ATOM 579 CZ TYR A 39 -3.221 -10.463 -18.109 1.00 31.24 C ATOM 580 OH TYR A 39 -3.286 -11.298 -19.207 1.00 73.42 O ATOM 0 H TYR A 39 -0.653 -7.711 -15.292 1.00 44.40 H new ATOM 0 HA TYR A 39 -1.929 -7.451 -12.817 1.00 73.34 H new ATOM 0 HB2 TYR A 39 -3.980 -7.884 -14.124 1.00 71.20 H new ATOM 0 HB3 TYR A 39 -2.913 -6.804 -14.999 1.00 71.20 H new ATOM 0 HD1 TYR A 39 -4.296 -10.272 -14.935 1.00 11.51 H new ATOM 0 HD2 TYR A 39 -1.926 -7.499 -17.170 1.00 23.54 H new ATOM 0 HE1 TYR A 39 -4.393 -11.755 -16.881 1.00 65.34 H new ATOM 0 HE2 TYR A 39 -2.041 -8.998 -19.115 1.00 74.51 H new ATOM 0 HH TYR A 39 -2.789 -10.899 -19.951 1.00 73.42 H new ATOM 590 N THR A 40 -1.406 -10.559 -13.705 1.00 5.34 N ATOM 591 CA THR A 40 -1.525 -11.970 -13.335 1.00 52.12 C ATOM 592 C THR A 40 -0.920 -12.237 -11.941 1.00 33.52 C ATOM 593 O THR A 40 -1.579 -12.831 -11.087 1.00 13.05 O ATOM 594 CB THR A 40 -0.832 -12.876 -14.406 1.00 23.32 C ATOM 595 OG1 THR A 40 -1.255 -12.484 -15.722 1.00 62.24 O ATOM 596 CG2 THR A 40 -1.157 -14.365 -14.205 1.00 50.53 C ATOM 0 H THR A 40 -0.785 -10.398 -14.498 1.00 5.34 H new ATOM 0 HA THR A 40 -2.586 -12.216 -13.296 1.00 52.12 H new ATOM 0 HB THR A 40 0.244 -12.744 -14.292 1.00 23.32 H new ATOM 0 HG1 THR A 40 -2.093 -11.980 -15.660 1.00 62.24 H new ATOM 0 HG21 THR A 40 -0.654 -14.954 -14.972 1.00 50.53 H new ATOM 0 HG22 THR A 40 -0.814 -14.683 -13.220 1.00 50.53 H new ATOM 0 HG23 THR A 40 -2.234 -14.516 -14.280 1.00 50.53 H new ATOM 604 N THR A 41 0.322 -11.751 -11.715 1.00 3.40 N ATOM 605 CA THR A 41 1.039 -11.943 -10.435 1.00 11.11 C ATOM 606 C THR A 41 0.266 -11.290 -9.269 1.00 52.32 C ATOM 607 O THR A 41 0.160 -11.861 -8.180 1.00 43.13 O ATOM 608 CB THR A 41 2.490 -11.360 -10.510 1.00 73.13 C ATOM 609 OG1 THR A 41 3.148 -11.862 -11.682 1.00 4.21 O ATOM 610 CG2 THR A 41 3.332 -11.725 -9.272 1.00 51.33 C ATOM 0 H THR A 41 0.850 -11.220 -12.407 1.00 3.40 H new ATOM 0 HA THR A 41 1.107 -13.015 -10.252 1.00 11.11 H new ATOM 0 HB THR A 41 2.402 -10.274 -10.549 1.00 73.13 H new ATOM 0 HG1 THR A 41 4.056 -11.496 -11.730 1.00 4.21 H new ATOM 0 HG21 THR A 41 4.330 -11.298 -9.372 1.00 51.33 H new ATOM 0 HG22 THR A 41 2.854 -11.327 -8.377 1.00 51.33 H new ATOM 0 HG23 THR A 41 3.408 -12.809 -9.191 1.00 51.33 H new ATOM 618 N PHE A 42 -0.311 -10.105 -9.551 1.00 62.21 N ATOM 619 CA PHE A 42 -1.139 -9.357 -8.595 1.00 33.10 C ATOM 620 C PHE A 42 -2.461 -10.101 -8.306 1.00 13.21 C ATOM 621 O PHE A 42 -2.871 -10.214 -7.148 1.00 3.34 O ATOM 622 CB PHE A 42 -1.418 -7.935 -9.154 1.00 3.03 C ATOM 623 CG PHE A 42 -2.342 -7.065 -8.295 1.00 23.00 C ATOM 624 CD1 PHE A 42 -2.095 -6.878 -6.936 1.00 42.02 C ATOM 625 CD2 PHE A 42 -3.448 -6.420 -8.852 1.00 32.11 C ATOM 626 CE1 PHE A 42 -2.923 -6.082 -6.171 1.00 5.31 C ATOM 627 CE2 PHE A 42 -4.274 -5.621 -8.082 1.00 34.23 C ATOM 628 CZ PHE A 42 -4.009 -5.452 -6.742 1.00 32.02 C ATOM 0 H PHE A 42 -0.213 -9.641 -10.454 1.00 62.21 H new ATOM 0 HA PHE A 42 -0.598 -9.271 -7.652 1.00 33.10 H new ATOM 0 HB2 PHE A 42 -0.467 -7.417 -9.275 1.00 3.03 H new ATOM 0 HB3 PHE A 42 -1.857 -8.032 -10.147 1.00 3.03 H new ATOM 0 HD1 PHE A 42 -1.246 -7.362 -6.476 1.00 42.02 H new ATOM 0 HD2 PHE A 42 -3.662 -6.547 -9.903 1.00 32.11 H new ATOM 0 HE1 PHE A 42 -2.719 -5.952 -5.118 1.00 5.31 H new ATOM 0 HE2 PHE A 42 -5.125 -5.131 -8.531 1.00 34.23 H new ATOM 0 HZ PHE A 42 -4.651 -4.827 -6.139 1.00 32.02 H new ATOM 638 N ARG A 43 -3.099 -10.630 -9.372 1.00 3.24 N ATOM 639 CA ARG A 43 -4.419 -11.280 -9.281 1.00 75.22 C ATOM 640 C ARG A 43 -4.351 -12.566 -8.451 1.00 14.40 C ATOM 641 O ARG A 43 -5.159 -12.752 -7.547 1.00 61.13 O ATOM 642 CB ARG A 43 -5.002 -11.569 -10.692 1.00 31.11 C ATOM 643 CG ARG A 43 -6.338 -12.350 -10.683 1.00 62.34 C ATOM 644 CD ARG A 43 -6.961 -12.490 -12.078 1.00 32.12 C ATOM 645 NE ARG A 43 -7.412 -11.199 -12.635 1.00 11.13 N ATOM 646 CZ ARG A 43 -8.675 -10.732 -12.584 1.00 40.43 C ATOM 647 NH1 ARG A 43 -9.639 -11.434 -11.987 1.00 13.03 N ATOM 648 NH2 ARG A 43 -8.963 -9.567 -13.148 1.00 51.31 N ATOM 0 H ARG A 43 -2.713 -10.617 -10.316 1.00 3.24 H new ATOM 0 HA ARG A 43 -5.089 -10.586 -8.773 1.00 75.22 H new ATOM 0 HB2 ARG A 43 -5.152 -10.622 -11.211 1.00 31.11 H new ATOM 0 HB3 ARG A 43 -4.268 -12.135 -11.266 1.00 31.11 H new ATOM 0 HG2 ARG A 43 -6.169 -13.343 -10.265 1.00 62.34 H new ATOM 0 HG3 ARG A 43 -7.044 -11.843 -10.025 1.00 62.34 H new ATOM 0 HD2 ARG A 43 -6.232 -12.937 -12.753 1.00 32.12 H new ATOM 0 HD3 ARG A 43 -7.808 -13.174 -12.026 1.00 32.12 H new ATOM 0 HE ARG A 43 -6.713 -10.615 -13.094 1.00 11.13 H new ATOM 0 HH11 ARG A 43 -9.424 -12.336 -11.562 1.00 13.03 H new ATOM 0 HH12 ARG A 43 -10.591 -11.069 -11.955 1.00 13.03 H new ATOM 0 HH21 ARG A 43 -8.231 -9.032 -13.616 1.00 51.31 H new ATOM 0 HH22 ARG A 43 -9.916 -9.206 -13.114 1.00 51.31 H new ATOM 662 N ASN A 44 -3.363 -13.433 -8.745 1.00 71.24 N ATOM 663 CA ASN A 44 -3.172 -14.702 -8.014 1.00 3.23 C ATOM 664 C ASN A 44 -2.721 -14.452 -6.562 1.00 4.02 C ATOM 665 O ASN A 44 -3.048 -15.236 -5.655 1.00 5.45 O ATOM 666 CB ASN A 44 -2.168 -15.628 -8.742 1.00 51.20 C ATOM 667 CG ASN A 44 -2.679 -16.118 -10.106 1.00 52.15 C ATOM 668 OD1 ASN A 44 -3.478 -17.053 -10.183 1.00 40.21 O ATOM 669 ND2 ASN A 44 -2.164 -15.562 -11.191 1.00 25.41 N ATOM 0 H ASN A 44 -2.681 -13.277 -9.487 1.00 71.24 H new ATOM 0 HA ASN A 44 -4.138 -15.206 -7.987 1.00 3.23 H new ATOM 0 HB2 ASN A 44 -1.228 -15.095 -8.883 1.00 51.20 H new ATOM 0 HB3 ASN A 44 -1.954 -16.490 -8.110 1.00 51.20 H new ATOM 0 HD21 ASN A 44 -2.427 -15.906 -12.114 1.00 25.41 H new ATOM 0 HD22 ASN A 44 -1.504 -14.789 -11.104 1.00 25.41 H new ATOM 676 N ALA A 45 -1.990 -13.344 -6.349 1.00 45.41 N ATOM 677 CA ALA A 45 -1.614 -12.879 -5.004 1.00 15.00 C ATOM 678 C ALA A 45 -2.869 -12.533 -4.168 1.00 44.25 C ATOM 679 O ALA A 45 -2.890 -12.751 -2.957 1.00 73.13 O ATOM 680 CB ALA A 45 -0.669 -11.678 -5.112 1.00 35.24 C ATOM 0 H ALA A 45 -1.645 -12.748 -7.102 1.00 45.41 H new ATOM 0 HA ALA A 45 -1.091 -13.684 -4.488 1.00 15.00 H new ATOM 0 HB1 ALA A 45 -0.395 -11.339 -4.113 1.00 35.24 H new ATOM 0 HB2 ALA A 45 0.230 -11.970 -5.655 1.00 35.24 H new ATOM 0 HB3 ALA A 45 -1.168 -10.869 -5.645 1.00 35.24 H new ATOM 686 N ILE A 46 -3.909 -11.999 -4.847 1.00 2.54 N ATOM 687 CA ILE A 46 -5.237 -11.728 -4.248 1.00 43.53 C ATOM 688 C ILE A 46 -6.044 -13.040 -4.073 1.00 23.33 C ATOM 689 O ILE A 46 -6.759 -13.212 -3.077 1.00 64.14 O ATOM 690 CB ILE A 46 -6.062 -10.714 -5.131 1.00 40.41 C ATOM 691 CG1 ILE A 46 -5.335 -9.342 -5.246 1.00 42.51 C ATOM 692 CG2 ILE A 46 -7.493 -10.524 -4.589 1.00 12.23 C ATOM 693 CD1 ILE A 46 -6.078 -8.298 -6.068 1.00 0.21 C ATOM 0 H ILE A 46 -3.851 -11.742 -5.832 1.00 2.54 H new ATOM 0 HA ILE A 46 -5.067 -11.283 -3.268 1.00 43.53 H new ATOM 0 HB ILE A 46 -6.136 -11.145 -6.129 1.00 40.41 H new ATOM 0 HG12 ILE A 46 -5.172 -8.947 -4.243 1.00 42.51 H new ATOM 0 HG13 ILE A 46 -4.352 -9.502 -5.689 1.00 42.51 H new ATOM 0 HG21 ILE A 46 -8.031 -9.819 -5.222 1.00 12.23 H new ATOM 0 HG22 ILE A 46 -8.012 -11.482 -4.590 1.00 12.23 H new ATOM 0 HG23 ILE A 46 -7.448 -10.136 -3.571 1.00 12.23 H new ATOM 0 HD11 ILE A 46 -5.498 -7.375 -6.094 1.00 0.21 H new ATOM 0 HD12 ILE A 46 -6.218 -8.667 -7.084 1.00 0.21 H new ATOM 0 HD13 ILE A 46 -7.050 -8.103 -5.615 1.00 0.21 H new ATOM 705 N LEU A 47 -5.909 -13.959 -5.056 1.00 1.23 N ATOM 706 CA LEU A 47 -6.618 -15.260 -5.062 1.00 51.34 C ATOM 707 C LEU A 47 -6.145 -16.162 -3.906 1.00 51.12 C ATOM 708 O LEU A 47 -6.856 -17.091 -3.507 1.00 45.42 O ATOM 709 CB LEU A 47 -6.450 -15.977 -6.436 1.00 25.44 C ATOM 710 CG LEU A 47 -7.115 -15.263 -7.664 1.00 3.24 C ATOM 711 CD1 LEU A 47 -6.819 -15.996 -8.993 1.00 13.15 C ATOM 712 CD2 LEU A 47 -8.627 -15.100 -7.448 1.00 11.33 C ATOM 0 H LEU A 47 -5.306 -13.820 -5.867 1.00 1.23 H new ATOM 0 HA LEU A 47 -7.679 -15.061 -4.911 1.00 51.34 H new ATOM 0 HB2 LEU A 47 -5.385 -16.089 -6.638 1.00 25.44 H new ATOM 0 HB3 LEU A 47 -6.867 -16.981 -6.354 1.00 25.44 H new ATOM 0 HG LEU A 47 -6.670 -14.271 -7.741 1.00 3.24 H new ATOM 0 HD11 LEU A 47 -7.299 -15.466 -9.816 1.00 13.15 H new ATOM 0 HD12 LEU A 47 -5.742 -16.026 -9.160 1.00 13.15 H new ATOM 0 HD13 LEU A 47 -7.206 -17.013 -8.941 1.00 13.15 H new ATOM 0 HD21 LEU A 47 -9.066 -14.602 -8.312 1.00 11.33 H new ATOM 0 HD22 LEU A 47 -9.085 -16.081 -7.323 1.00 11.33 H new ATOM 0 HD23 LEU A 47 -8.804 -14.500 -6.555 1.00 11.33 H new ATOM 724 N LYS A 48 -4.937 -15.862 -3.388 1.00 52.03 N ATOM 725 CA LYS A 48 -4.384 -16.483 -2.169 1.00 24.32 C ATOM 726 C LYS A 48 -5.281 -16.224 -0.935 1.00 32.31 C ATOM 727 O LYS A 48 -5.407 -17.083 -0.056 1.00 3.45 O ATOM 728 CB LYS A 48 -2.952 -15.935 -1.935 1.00 31.12 C ATOM 729 CG LYS A 48 -2.214 -16.506 -0.698 1.00 22.21 C ATOM 730 CD LYS A 48 -0.738 -16.052 -0.611 1.00 73.40 C ATOM 731 CE LYS A 48 0.083 -16.463 -1.848 1.00 23.34 C ATOM 732 NZ LYS A 48 -0.010 -17.927 -2.121 1.00 64.11 N ATOM 0 H LYS A 48 -4.312 -15.175 -3.809 1.00 52.03 H new ATOM 0 HA LYS A 48 -4.348 -17.563 -2.309 1.00 24.32 H new ATOM 0 HB2 LYS A 48 -2.353 -16.142 -2.822 1.00 31.12 H new ATOM 0 HB3 LYS A 48 -3.008 -14.851 -1.835 1.00 31.12 H new ATOM 0 HG2 LYS A 48 -2.738 -16.195 0.206 1.00 22.21 H new ATOM 0 HG3 LYS A 48 -2.252 -17.595 -0.730 1.00 22.21 H new ATOM 0 HD2 LYS A 48 -0.701 -14.968 -0.499 1.00 73.40 H new ATOM 0 HD3 LYS A 48 -0.282 -16.480 0.282 1.00 73.40 H new ATOM 0 HE2 LYS A 48 -0.270 -15.909 -2.718 1.00 23.34 H new ATOM 0 HE3 LYS A 48 1.127 -16.188 -1.698 1.00 23.34 H new ATOM 0 HZ1 LYS A 48 0.635 -18.177 -2.897 1.00 64.11 H new ATOM 0 HZ2 LYS A 48 0.255 -18.457 -1.266 1.00 64.11 H new ATOM 0 HZ3 LYS A 48 -0.985 -18.169 -2.390 1.00 64.11 H new ATOM 746 N GLN A 49 -5.893 -15.029 -0.887 1.00 32.52 N ATOM 747 CA GLN A 49 -6.817 -14.632 0.196 1.00 22.44 C ATOM 748 C GLN A 49 -8.195 -15.287 0.017 1.00 72.54 C ATOM 749 O GLN A 49 -8.620 -15.574 -1.114 1.00 2.04 O ATOM 750 CB GLN A 49 -6.989 -13.081 0.256 1.00 55.34 C ATOM 751 CG GLN A 49 -5.783 -12.288 0.793 1.00 21.51 C ATOM 752 CD GLN A 49 -4.561 -12.300 -0.127 1.00 15.42 C ATOM 753 OE1 GLN A 49 -3.685 -13.160 -0.019 1.00 51.24 O ATOM 754 NE2 GLN A 49 -4.490 -11.339 -1.030 1.00 1.12 N ATOM 0 H GLN A 49 -5.763 -14.308 -1.597 1.00 32.52 H new ATOM 0 HA GLN A 49 -6.376 -14.976 1.132 1.00 22.44 H new ATOM 0 HB2 GLN A 49 -7.217 -12.722 -0.747 1.00 55.34 H new ATOM 0 HB3 GLN A 49 -7.854 -12.855 0.880 1.00 55.34 H new ATOM 0 HG2 GLN A 49 -6.088 -11.255 0.959 1.00 21.51 H new ATOM 0 HG3 GLN A 49 -5.497 -12.696 1.762 1.00 21.51 H new ATOM 0 HE21 GLN A 49 -5.232 -10.642 -1.093 1.00 1.12 H new ATOM 0 HE22 GLN A 49 -3.693 -11.293 -1.665 1.00 1.12 H new ATOM 763 N ALA A 50 -8.882 -15.502 1.153 1.00 53.21 N ATOM 764 CA ALA A 50 -10.274 -15.961 1.185 1.00 22.33 C ATOM 765 C ALA A 50 -11.170 -14.860 0.599 1.00 50.31 C ATOM 766 O ALA A 50 -11.749 -15.025 -0.483 1.00 11.13 O ATOM 767 CB ALA A 50 -10.674 -16.323 2.625 1.00 3.45 C ATOM 0 H ALA A 50 -8.480 -15.360 2.080 1.00 53.21 H new ATOM 0 HA ALA A 50 -10.394 -16.861 0.581 1.00 22.33 H new ATOM 0 HB1 ALA A 50 -11.709 -16.663 2.640 1.00 3.45 H new ATOM 0 HB2 ALA A 50 -10.026 -17.118 2.994 1.00 3.45 H new ATOM 0 HB3 ALA A 50 -10.571 -15.445 3.263 1.00 3.45 H new ATOM 773 N ASP A 51 -11.223 -13.710 1.301 1.00 52.02 N ATOM 774 CA ASP A 51 -11.870 -12.490 0.782 1.00 72.14 C ATOM 775 C ASP A 51 -10.941 -11.855 -0.256 1.00 1.54 C ATOM 776 O ASP A 51 -9.802 -11.499 0.063 1.00 14.11 O ATOM 777 CB ASP A 51 -12.196 -11.475 1.912 1.00 50.24 C ATOM 778 CG ASP A 51 -13.009 -10.254 1.403 1.00 20.33 C ATOM 779 OD1 ASP A 51 -14.263 -10.323 1.374 1.00 32.43 O ATOM 780 OD2 ASP A 51 -12.406 -9.221 1.028 1.00 45.32 O ATOM 0 H ASP A 51 -10.823 -13.602 2.233 1.00 52.02 H new ATOM 0 HA ASP A 51 -12.821 -12.764 0.325 1.00 72.14 H new ATOM 0 HB2 ASP A 51 -12.759 -11.980 2.697 1.00 50.24 H new ATOM 0 HB3 ASP A 51 -11.266 -11.126 2.361 1.00 50.24 H new ATOM 785 N LYS A 52 -11.431 -11.743 -1.497 1.00 2.13 N ATOM 786 CA LYS A 52 -10.615 -11.333 -2.645 1.00 43.44 C ATOM 787 C LYS A 52 -10.298 -9.821 -2.618 1.00 74.22 C ATOM 788 O LYS A 52 -10.997 -9.002 -3.236 1.00 35.10 O ATOM 789 CB LYS A 52 -11.305 -11.766 -3.967 1.00 24.51 C ATOM 790 CG LYS A 52 -11.486 -13.298 -4.110 1.00 62.30 C ATOM 791 CD LYS A 52 -10.145 -14.066 -4.060 1.00 41.41 C ATOM 792 CE LYS A 52 -10.326 -15.593 -4.116 1.00 25.04 C ATOM 793 NZ LYS A 52 -11.058 -16.120 -2.936 1.00 64.44 N ATOM 0 H LYS A 52 -12.405 -11.934 -1.733 1.00 2.13 H new ATOM 0 HA LYS A 52 -9.653 -11.841 -2.583 1.00 43.44 H new ATOM 0 HB2 LYS A 52 -12.282 -11.288 -4.028 1.00 24.51 H new ATOM 0 HB3 LYS A 52 -10.717 -11.400 -4.809 1.00 24.51 H new ATOM 0 HG2 LYS A 52 -12.136 -13.659 -3.313 1.00 62.30 H new ATOM 0 HG3 LYS A 52 -11.988 -13.514 -5.053 1.00 62.30 H new ATOM 0 HD2 LYS A 52 -9.519 -13.749 -4.894 1.00 41.41 H new ATOM 0 HD3 LYS A 52 -9.615 -13.802 -3.145 1.00 41.41 H new ATOM 0 HE2 LYS A 52 -10.867 -15.859 -5.024 1.00 25.04 H new ATOM 0 HE3 LYS A 52 -9.348 -16.070 -4.176 1.00 25.04 H new ATOM 0 HZ1 LYS A 52 -10.585 -16.979 -2.589 1.00 64.44 H new ATOM 0 HZ2 LYS A 52 -11.067 -15.402 -2.184 1.00 64.44 H new ATOM 0 HZ3 LYS A 52 -12.036 -16.349 -3.208 1.00 64.44 H new ATOM 807 N VAL A 53 -9.220 -9.477 -1.891 1.00 5.13 N ATOM 808 CA VAL A 53 -8.741 -8.097 -1.746 1.00 11.03 C ATOM 809 C VAL A 53 -7.209 -8.064 -1.515 1.00 61.01 C ATOM 810 O VAL A 53 -6.606 -9.031 -1.021 1.00 44.33 O ATOM 811 CB VAL A 53 -9.487 -7.366 -0.561 1.00 61.04 C ATOM 812 CG1 VAL A 53 -9.168 -7.998 0.818 1.00 52.14 C ATOM 813 CG2 VAL A 53 -9.221 -5.842 -0.567 1.00 64.24 C ATOM 0 H VAL A 53 -8.654 -10.158 -1.384 1.00 5.13 H new ATOM 0 HA VAL A 53 -8.961 -7.569 -2.674 1.00 11.03 H new ATOM 0 HB VAL A 53 -10.554 -7.510 -0.731 1.00 61.04 H new ATOM 0 HG11 VAL A 53 -9.705 -7.459 1.598 1.00 52.14 H new ATOM 0 HG12 VAL A 53 -9.478 -9.043 0.820 1.00 52.14 H new ATOM 0 HG13 VAL A 53 -8.096 -7.937 1.007 1.00 52.14 H new ATOM 0 HG21 VAL A 53 -9.752 -5.377 0.263 1.00 64.24 H new ATOM 0 HG22 VAL A 53 -8.152 -5.659 -0.462 1.00 64.24 H new ATOM 0 HG23 VAL A 53 -9.572 -5.415 -1.507 1.00 64.24 H new ATOM 823 N ALA A 54 -6.606 -6.940 -1.913 1.00 54.52 N ATOM 824 CA ALA A 54 -5.226 -6.570 -1.596 1.00 63.20 C ATOM 825 C ALA A 54 -5.217 -5.092 -1.209 1.00 53.42 C ATOM 826 O ALA A 54 -5.779 -4.264 -1.923 1.00 3.41 O ATOM 827 CB ALA A 54 -4.299 -6.803 -2.792 1.00 41.02 C ATOM 0 H ALA A 54 -7.082 -6.241 -2.483 1.00 54.52 H new ATOM 0 HA ALA A 54 -4.861 -7.189 -0.776 1.00 63.20 H new ATOM 0 HB1 ALA A 54 -3.281 -6.519 -2.524 1.00 41.02 H new ATOM 0 HB2 ALA A 54 -4.320 -7.857 -3.069 1.00 41.02 H new ATOM 0 HB3 ALA A 54 -4.635 -6.199 -3.635 1.00 41.02 H new ATOM 833 N TYR A 55 -4.619 -4.776 -0.067 1.00 64.40 N ATOM 834 CA TYR A 55 -4.433 -3.393 0.386 1.00 11.54 C ATOM 835 C TYR A 55 -3.118 -2.834 -0.192 1.00 25.32 C ATOM 836 O TYR A 55 -2.248 -3.596 -0.595 1.00 3.34 O ATOM 837 CB TYR A 55 -4.428 -3.363 1.930 1.00 14.24 C ATOM 838 CG TYR A 55 -5.759 -3.807 2.577 1.00 62.14 C ATOM 839 CD1 TYR A 55 -6.022 -5.155 2.871 1.00 42.21 C ATOM 840 CD2 TYR A 55 -6.746 -2.871 2.906 1.00 5.10 C ATOM 841 CE1 TYR A 55 -7.218 -5.541 3.461 1.00 4.12 C ATOM 842 CE2 TYR A 55 -7.932 -3.257 3.494 1.00 3.42 C ATOM 843 CZ TYR A 55 -8.165 -4.587 3.771 1.00 64.21 C ATOM 844 OH TYR A 55 -9.361 -4.960 4.350 1.00 23.13 O ATOM 0 H TYR A 55 -4.245 -5.472 0.578 1.00 64.40 H new ATOM 0 HA TYR A 55 -5.250 -2.765 0.032 1.00 11.54 H new ATOM 0 HB2 TYR A 55 -3.628 -4.009 2.292 1.00 14.24 H new ATOM 0 HB3 TYR A 55 -4.196 -2.351 2.262 1.00 14.24 H new ATOM 0 HD1 TYR A 55 -5.281 -5.904 2.634 1.00 42.21 H new ATOM 0 HD2 TYR A 55 -6.575 -1.826 2.695 1.00 5.10 H new ATOM 0 HE1 TYR A 55 -7.406 -6.583 3.676 1.00 4.12 H new ATOM 0 HE2 TYR A 55 -8.679 -2.516 3.738 1.00 3.42 H new ATOM 0 HH TYR A 55 -9.912 -4.164 4.503 1.00 23.13 H new ATOM 854 N LEU A 56 -2.995 -1.505 -0.247 1.00 22.30 N ATOM 855 CA LEU A 56 -1.806 -0.822 -0.793 1.00 62.13 C ATOM 856 C LEU A 56 -1.250 0.151 0.255 1.00 21.22 C ATOM 857 O LEU A 56 -1.812 1.226 0.464 1.00 73.23 O ATOM 858 CB LEU A 56 -2.206 -0.088 -2.102 1.00 11.33 C ATOM 859 CG LEU A 56 -1.083 0.644 -2.898 1.00 33.52 C ATOM 860 CD1 LEU A 56 0.073 -0.304 -3.271 1.00 32.31 C ATOM 861 CD2 LEU A 56 -1.678 1.314 -4.152 1.00 42.12 C ATOM 0 H LEU A 56 -3.716 -0.865 0.086 1.00 22.30 H new ATOM 0 HA LEU A 56 -1.022 -1.542 -1.028 1.00 62.13 H new ATOM 0 HB2 LEU A 56 -2.667 -0.818 -2.768 1.00 11.33 H new ATOM 0 HB3 LEU A 56 -2.973 0.646 -1.854 1.00 11.33 H new ATOM 0 HG LEU A 56 -0.661 1.414 -2.252 1.00 33.52 H new ATOM 0 HD11 LEU A 56 0.832 0.248 -3.824 1.00 32.31 H new ATOM 0 HD12 LEU A 56 0.513 -0.716 -2.363 1.00 32.31 H new ATOM 0 HD13 LEU A 56 -0.308 -1.116 -3.890 1.00 32.31 H new ATOM 0 HD21 LEU A 56 -0.887 1.823 -4.702 1.00 42.12 H new ATOM 0 HD22 LEU A 56 -2.133 0.555 -4.789 1.00 42.12 H new ATOM 0 HD23 LEU A 56 -2.436 2.038 -3.853 1.00 42.12 H new ATOM 873 N VAL A 57 -0.162 -0.259 0.936 1.00 61.23 N ATOM 874 CA VAL A 57 0.495 0.560 1.971 1.00 21.13 C ATOM 875 C VAL A 57 1.548 1.472 1.308 1.00 14.50 C ATOM 876 O VAL A 57 2.404 0.999 0.550 1.00 4.43 O ATOM 877 CB VAL A 57 1.177 -0.336 3.080 1.00 70.33 C ATOM 878 CG1 VAL A 57 1.867 0.518 4.177 1.00 43.24 C ATOM 879 CG2 VAL A 57 0.151 -1.313 3.700 1.00 54.14 C ATOM 0 H VAL A 57 0.284 -1.164 0.784 1.00 61.23 H new ATOM 0 HA VAL A 57 -0.267 1.166 2.461 1.00 21.13 H new ATOM 0 HB VAL A 57 1.958 -0.919 2.592 1.00 70.33 H new ATOM 0 HG11 VAL A 57 2.322 -0.140 4.918 1.00 43.24 H new ATOM 0 HG12 VAL A 57 2.638 1.141 3.722 1.00 43.24 H new ATOM 0 HG13 VAL A 57 1.127 1.154 4.662 1.00 43.24 H new ATOM 0 HG21 VAL A 57 0.641 -1.920 4.461 1.00 54.14 H new ATOM 0 HG22 VAL A 57 -0.662 -0.747 4.155 1.00 54.14 H new ATOM 0 HG23 VAL A 57 -0.251 -1.961 2.921 1.00 54.14 H new ATOM 889 N MET A 58 1.451 2.775 1.603 1.00 0.33 N ATOM 890 CA MET A 58 2.328 3.823 1.050 1.00 32.21 C ATOM 891 C MET A 58 2.511 4.923 2.102 1.00 44.12 C ATOM 892 O MET A 58 1.884 4.876 3.168 1.00 32.43 O ATOM 893 CB MET A 58 1.684 4.424 -0.236 1.00 33.33 C ATOM 894 CG MET A 58 0.380 5.207 -0.001 1.00 43.32 C ATOM 895 SD MET A 58 -0.303 5.939 -1.507 1.00 5.23 S ATOM 896 CE MET A 58 -0.866 4.494 -2.403 1.00 61.04 C ATOM 0 H MET A 58 0.748 3.140 2.245 1.00 0.33 H new ATOM 0 HA MET A 58 3.297 3.395 0.792 1.00 32.21 H new ATOM 0 HB2 MET A 58 2.408 5.086 -0.712 1.00 33.33 H new ATOM 0 HB3 MET A 58 1.483 3.614 -0.937 1.00 33.33 H new ATOM 0 HG2 MET A 58 -0.362 4.539 0.438 1.00 43.32 H new ATOM 0 HG3 MET A 58 0.566 5.998 0.726 1.00 43.32 H new ATOM 0 HE1 MET A 58 -1.372 4.807 -3.317 1.00 61.04 H new ATOM 0 HE2 MET A 58 -0.011 3.868 -2.657 1.00 61.04 H new ATOM 0 HE3 MET A 58 -1.559 3.927 -1.781 1.00 61.04 H new ATOM 906 N ASP A 59 3.367 5.906 1.809 1.00 32.21 N ATOM 907 CA ASP A 59 3.379 7.187 2.551 1.00 61.33 C ATOM 908 C ASP A 59 2.576 8.225 1.734 1.00 5.21 C ATOM 909 O ASP A 59 2.265 7.996 0.557 1.00 31.11 O ATOM 910 CB ASP A 59 4.833 7.677 2.806 1.00 23.42 C ATOM 911 CG ASP A 59 4.911 8.899 3.767 1.00 61.14 C ATOM 912 OD1 ASP A 59 5.012 8.705 4.995 1.00 1.21 O ATOM 913 OD2 ASP A 59 4.832 10.060 3.294 1.00 34.35 O ATOM 0 H ASP A 59 4.063 5.847 1.066 1.00 32.21 H new ATOM 0 HA ASP A 59 2.919 7.050 3.530 1.00 61.33 H new ATOM 0 HB2 ASP A 59 5.417 6.857 3.224 1.00 23.42 H new ATOM 0 HB3 ASP A 59 5.292 7.943 1.854 1.00 23.42 H new ATOM 918 N GLU A 60 2.273 9.362 2.366 1.00 23.11 N ATOM 919 CA GLU A 60 1.524 10.465 1.771 1.00 2.14 C ATOM 920 C GLU A 60 2.280 11.107 0.587 1.00 74.11 C ATOM 921 O GLU A 60 1.655 11.734 -0.256 1.00 55.25 O ATOM 922 CB GLU A 60 1.204 11.501 2.872 1.00 1.41 C ATOM 923 CG GLU A 60 0.298 12.668 2.428 1.00 55.33 C ATOM 924 CD GLU A 60 -0.072 13.615 3.571 1.00 13.31 C ATOM 925 OE1 GLU A 60 0.809 14.371 4.024 1.00 15.45 O ATOM 926 OE2 GLU A 60 -1.240 13.620 4.014 1.00 22.43 O ATOM 0 H GLU A 60 2.550 9.543 3.331 1.00 23.11 H new ATOM 0 HA GLU A 60 0.593 10.078 1.357 1.00 2.14 H new ATOM 0 HB2 GLU A 60 0.726 10.987 3.705 1.00 1.41 H new ATOM 0 HB3 GLU A 60 2.142 11.911 3.247 1.00 1.41 H new ATOM 0 HG2 GLU A 60 0.804 13.234 1.646 1.00 55.33 H new ATOM 0 HG3 GLU A 60 -0.615 12.264 1.990 1.00 55.33 H new ATOM 933 N ARG A 61 3.619 10.916 0.523 1.00 51.02 N ATOM 934 CA ARG A 61 4.453 11.330 -0.632 1.00 4.22 C ATOM 935 C ARG A 61 3.927 10.716 -1.945 1.00 65.43 C ATOM 936 O ARG A 61 3.764 11.407 -2.961 1.00 11.32 O ATOM 937 CB ARG A 61 5.923 10.882 -0.413 1.00 54.02 C ATOM 938 CG ARG A 61 6.642 11.532 0.785 1.00 4.15 C ATOM 939 CD ARG A 61 6.718 13.061 0.693 1.00 11.31 C ATOM 940 NE ARG A 61 7.286 13.510 -0.595 1.00 72.52 N ATOM 941 CZ ARG A 61 7.489 14.786 -0.952 1.00 53.11 C ATOM 942 NH1 ARG A 61 7.189 15.788 -0.126 1.00 60.53 N ATOM 943 NH2 ARG A 61 7.986 15.053 -2.152 1.00 71.22 N ATOM 0 H ARG A 61 4.152 10.471 1.270 1.00 51.02 H new ATOM 0 HA ARG A 61 4.404 12.416 -0.709 1.00 4.22 H new ATOM 0 HB2 ARG A 61 5.939 9.800 -0.281 1.00 54.02 H new ATOM 0 HB3 ARG A 61 6.490 11.101 -1.318 1.00 54.02 H new ATOM 0 HG2 ARG A 61 6.124 11.256 1.704 1.00 4.15 H new ATOM 0 HG3 ARG A 61 7.652 11.129 0.855 1.00 4.15 H new ATOM 0 HD2 ARG A 61 5.720 13.482 0.816 1.00 11.31 H new ATOM 0 HD3 ARG A 61 7.328 13.444 1.511 1.00 11.31 H new ATOM 0 HE ARG A 61 7.545 12.789 -1.268 1.00 72.52 H new ATOM 0 HH11 ARG A 61 6.798 15.590 0.795 1.00 60.53 H new ATOM 0 HH12 ARG A 61 7.350 16.753 -0.415 1.00 60.53 H new ATOM 0 HH21 ARG A 61 8.210 14.291 -2.792 1.00 71.22 H new ATOM 0 HH22 ARG A 61 8.145 16.020 -2.435 1.00 71.22 H new ATOM 957 N THR A 62 3.651 9.406 -1.874 1.00 60.23 N ATOM 958 CA THR A 62 3.071 8.628 -2.972 1.00 74.43 C ATOM 959 C THR A 62 1.623 9.096 -3.262 1.00 75.01 C ATOM 960 O THR A 62 1.198 9.168 -4.422 1.00 34.20 O ATOM 961 CB THR A 62 3.100 7.113 -2.588 1.00 34.24 C ATOM 962 OG1 THR A 62 4.436 6.735 -2.208 1.00 70.24 O ATOM 963 CG2 THR A 62 2.627 6.195 -3.717 1.00 62.41 C ATOM 0 H THR A 62 3.828 8.850 -1.037 1.00 60.23 H new ATOM 0 HA THR A 62 3.655 8.781 -3.879 1.00 74.43 H new ATOM 0 HB THR A 62 2.406 6.990 -1.756 1.00 34.24 H new ATOM 0 HG1 THR A 62 4.508 5.758 -2.196 1.00 70.24 H new ATOM 0 HG21 THR A 62 2.672 5.158 -3.385 1.00 62.41 H new ATOM 0 HG22 THR A 62 1.601 6.447 -3.985 1.00 62.41 H new ATOM 0 HG23 THR A 62 3.271 6.326 -4.586 1.00 62.41 H new ATOM 971 N TRP A 63 0.901 9.453 -2.179 1.00 60.44 N ATOM 972 CA TRP A 63 -0.494 9.919 -2.241 1.00 25.43 C ATOM 973 C TRP A 63 -0.629 11.304 -2.908 1.00 53.33 C ATOM 974 O TRP A 63 -1.648 11.564 -3.543 1.00 2.22 O ATOM 975 CB TRP A 63 -1.114 9.929 -0.823 1.00 50.14 C ATOM 976 CG TRP A 63 -2.505 10.520 -0.751 1.00 11.32 C ATOM 977 CD1 TRP A 63 -2.850 11.767 -0.306 1.00 12.13 C ATOM 978 CD2 TRP A 63 -3.725 9.896 -1.181 1.00 64.24 C ATOM 979 NE1 TRP A 63 -4.206 11.940 -0.411 1.00 45.11 N ATOM 980 CE2 TRP A 63 -4.763 10.810 -0.946 1.00 61.41 C ATOM 981 CE3 TRP A 63 -4.037 8.649 -1.736 1.00 33.42 C ATOM 982 CZ2 TRP A 63 -6.088 10.521 -1.244 1.00 23.01 C ATOM 983 CZ3 TRP A 63 -5.353 8.364 -2.033 1.00 65.21 C ATOM 984 CH2 TRP A 63 -6.363 9.298 -1.786 1.00 1.21 C ATOM 0 H TRP A 63 1.276 9.424 -1.231 1.00 60.44 H new ATOM 0 HA TRP A 63 -1.043 9.217 -2.869 1.00 25.43 H new ATOM 0 HB2 TRP A 63 -1.148 8.906 -0.448 1.00 50.14 H new ATOM 0 HB3 TRP A 63 -0.459 10.491 -0.158 1.00 50.14 H new ATOM 0 HD1 TRP A 63 -2.158 12.505 0.072 1.00 12.13 H new ATOM 0 HE1 TRP A 63 -4.718 12.778 -0.134 1.00 45.11 H new ATOM 0 HE3 TRP A 63 -3.261 7.923 -1.928 1.00 33.42 H new ATOM 0 HZ2 TRP A 63 -6.873 11.238 -1.054 1.00 23.01 H new ATOM 0 HZ3 TRP A 63 -5.607 7.406 -2.462 1.00 65.21 H new ATOM 0 HH2 TRP A 63 -7.385 9.047 -2.029 1.00 1.21 H new ATOM 995 N LYS A 64 0.399 12.181 -2.781 1.00 62.22 N ATOM 996 CA LYS A 64 0.396 13.518 -3.433 1.00 63.41 C ATOM 997 C LYS A 64 0.165 13.384 -4.952 1.00 33.52 C ATOM 998 O LYS A 64 -0.397 14.271 -5.595 1.00 62.23 O ATOM 999 CB LYS A 64 1.736 14.263 -3.202 1.00 53.40 C ATOM 1000 CG LYS A 64 2.167 14.431 -1.735 1.00 51.22 C ATOM 1001 CD LYS A 64 1.127 15.170 -0.865 1.00 72.14 C ATOM 1002 CE LYS A 64 1.691 15.545 0.517 1.00 31.20 C ATOM 1003 NZ LYS A 64 0.683 16.238 1.368 1.00 31.02 N ATOM 0 H LYS A 64 1.239 11.988 -2.235 1.00 62.22 H new ATOM 0 HA LYS A 64 -0.415 14.090 -2.983 1.00 63.41 H new ATOM 0 HB2 LYS A 64 2.523 13.728 -3.733 1.00 53.40 H new ATOM 0 HB3 LYS A 64 1.662 15.252 -3.654 1.00 53.40 H new ATOM 0 HG2 LYS A 64 2.354 13.447 -1.305 1.00 51.22 H new ATOM 0 HG3 LYS A 64 3.110 14.978 -1.702 1.00 51.22 H new ATOM 0 HD2 LYS A 64 0.800 16.073 -1.380 1.00 72.14 H new ATOM 0 HD3 LYS A 64 0.247 14.539 -0.738 1.00 72.14 H new ATOM 0 HE2 LYS A 64 2.034 14.643 1.024 1.00 31.20 H new ATOM 0 HE3 LYS A 64 2.561 16.189 0.390 1.00 31.20 H new ATOM 0 HZ1 LYS A 64 0.729 15.862 2.337 1.00 31.02 H new ATOM 0 HZ2 LYS A 64 0.884 17.258 1.383 1.00 31.02 H new ATOM 0 HZ3 LYS A 64 -0.268 16.078 0.979 1.00 31.02 H new ATOM 1017 N LYS A 65 0.623 12.240 -5.489 1.00 41.20 N ATOM 1018 CA LYS A 65 0.487 11.881 -6.894 1.00 45.14 C ATOM 1019 C LYS A 65 -0.839 11.150 -7.155 1.00 73.14 C ATOM 1020 O LYS A 65 -1.531 11.490 -8.096 1.00 20.12 O ATOM 1021 CB LYS A 65 1.687 11.001 -7.311 1.00 30.45 C ATOM 1022 CG LYS A 65 3.071 11.671 -7.122 1.00 5.43 C ATOM 1023 CD LYS A 65 3.234 12.970 -7.943 1.00 5.42 C ATOM 1024 CE LYS A 65 2.982 12.756 -9.447 1.00 32.41 C ATOM 1025 NZ LYS A 65 3.238 13.992 -10.233 1.00 72.12 N ATOM 0 H LYS A 65 1.107 11.530 -4.939 1.00 41.20 H new ATOM 0 HA LYS A 65 0.479 12.792 -7.493 1.00 45.14 H new ATOM 0 HB2 LYS A 65 1.662 10.077 -6.733 1.00 30.45 H new ATOM 0 HB3 LYS A 65 1.572 10.724 -8.359 1.00 30.45 H new ATOM 0 HG2 LYS A 65 3.218 11.895 -6.066 1.00 5.43 H new ATOM 0 HG3 LYS A 65 3.851 10.966 -7.410 1.00 5.43 H new ATOM 0 HD2 LYS A 65 2.542 13.723 -7.566 1.00 5.42 H new ATOM 0 HD3 LYS A 65 4.241 13.362 -7.799 1.00 5.42 H new ATOM 0 HE2 LYS A 65 3.624 11.954 -9.812 1.00 32.41 H new ATOM 0 HE3 LYS A 65 1.952 12.435 -9.600 1.00 32.41 H new ATOM 0 HZ1 LYS A 65 3.057 13.807 -11.240 1.00 72.12 H new ATOM 0 HZ2 LYS A 65 2.608 14.751 -9.902 1.00 72.12 H new ATOM 0 HZ3 LYS A 65 4.228 14.285 -10.107 1.00 72.12 H new ATOM 1039 N VAL A 66 -1.185 10.158 -6.302 1.00 31.23 N ATOM 1040 CA VAL A 66 -2.419 9.348 -6.468 1.00 51.34 C ATOM 1041 C VAL A 66 -3.677 10.251 -6.433 1.00 35.01 C ATOM 1042 O VAL A 66 -4.454 10.263 -7.390 1.00 61.11 O ATOM 1043 CB VAL A 66 -2.505 8.212 -5.376 1.00 34.22 C ATOM 1044 CG1 VAL A 66 -3.833 7.414 -5.462 1.00 70.05 C ATOM 1045 CG2 VAL A 66 -1.285 7.262 -5.483 1.00 22.14 C ATOM 0 H VAL A 66 -0.627 9.897 -5.489 1.00 31.23 H new ATOM 0 HA VAL A 66 -2.377 8.865 -7.444 1.00 51.34 H new ATOM 0 HB VAL A 66 -2.488 8.699 -4.401 1.00 34.22 H new ATOM 0 HG11 VAL A 66 -3.845 6.644 -4.691 1.00 70.05 H new ATOM 0 HG12 VAL A 66 -4.674 8.091 -5.313 1.00 70.05 H new ATOM 0 HG13 VAL A 66 -3.913 6.946 -6.443 1.00 70.05 H new ATOM 0 HG21 VAL A 66 -1.361 6.485 -4.722 1.00 22.14 H new ATOM 0 HG22 VAL A 66 -1.268 6.802 -6.471 1.00 22.14 H new ATOM 0 HG23 VAL A 66 -0.367 7.830 -5.331 1.00 22.14 H new ATOM 1055 N TYR A 67 -3.811 11.037 -5.345 1.00 42.44 N ATOM 1056 CA TYR A 67 -4.871 12.060 -5.161 1.00 2.12 C ATOM 1057 C TYR A 67 -4.978 13.006 -6.373 1.00 21.41 C ATOM 1058 O TYR A 67 -6.087 13.304 -6.847 1.00 71.34 O ATOM 1059 CB TYR A 67 -4.550 12.882 -3.884 1.00 3.22 C ATOM 1060 CG TYR A 67 -5.568 13.980 -3.523 1.00 60.51 C ATOM 1061 CD1 TYR A 67 -6.796 13.646 -2.963 1.00 75.04 C ATOM 1062 CD2 TYR A 67 -5.302 15.343 -3.731 1.00 45.10 C ATOM 1063 CE1 TYR A 67 -7.726 14.613 -2.626 1.00 41.21 C ATOM 1064 CE2 TYR A 67 -6.233 16.315 -3.392 1.00 2.34 C ATOM 1065 CZ TYR A 67 -7.442 15.943 -2.842 1.00 50.40 C ATOM 1066 OH TYR A 67 -8.374 16.911 -2.518 1.00 12.33 O ATOM 0 H TYR A 67 -3.174 10.980 -4.551 1.00 42.44 H new ATOM 0 HA TYR A 67 -5.829 11.549 -5.062 1.00 2.12 H new ATOM 0 HB2 TYR A 67 -4.471 12.194 -3.042 1.00 3.22 H new ATOM 0 HB3 TYR A 67 -3.572 13.346 -4.009 1.00 3.22 H new ATOM 0 HD1 TYR A 67 -7.029 12.606 -2.787 1.00 75.04 H new ATOM 0 HD2 TYR A 67 -4.357 15.640 -4.162 1.00 45.10 H new ATOM 0 HE1 TYR A 67 -8.673 14.325 -2.194 1.00 41.21 H new ATOM 0 HE2 TYR A 67 -6.012 17.359 -3.558 1.00 2.34 H new ATOM 0 HH TYR A 67 -8.014 17.797 -2.733 1.00 12.33 H new ATOM 1076 N ASP A 68 -3.800 13.457 -6.853 1.00 51.43 N ATOM 1077 CA ASP A 68 -3.699 14.402 -7.976 1.00 1.34 C ATOM 1078 C ASP A 68 -4.264 13.790 -9.261 1.00 5.11 C ATOM 1079 O ASP A 68 -5.194 14.336 -9.845 1.00 74.12 O ATOM 1080 CB ASP A 68 -2.233 14.830 -8.223 1.00 43.01 C ATOM 1081 CG ASP A 68 -2.102 15.874 -9.351 1.00 31.41 C ATOM 1082 OD1 ASP A 68 -2.399 17.067 -9.101 1.00 54.42 O ATOM 1083 OD2 ASP A 68 -1.721 15.514 -10.488 1.00 45.41 O ATOM 0 H ASP A 68 -2.897 13.175 -6.472 1.00 51.43 H new ATOM 0 HA ASP A 68 -4.285 15.281 -7.706 1.00 1.34 H new ATOM 0 HB2 ASP A 68 -1.818 15.241 -7.303 1.00 43.01 H new ATOM 0 HB3 ASP A 68 -1.639 13.951 -8.475 1.00 43.01 H new ATOM 1088 N LEU A 69 -3.700 12.623 -9.647 1.00 21.35 N ATOM 1089 CA LEU A 69 -4.020 11.921 -10.901 1.00 20.13 C ATOM 1090 C LEU A 69 -5.508 11.545 -10.970 1.00 42.20 C ATOM 1091 O LEU A 69 -6.096 11.561 -12.053 1.00 23.12 O ATOM 1092 CB LEU A 69 -3.128 10.651 -11.063 1.00 44.11 C ATOM 1093 CG LEU A 69 -1.584 10.890 -11.171 1.00 35.20 C ATOM 1094 CD1 LEU A 69 -0.806 9.551 -11.267 1.00 14.14 C ATOM 1095 CD2 LEU A 69 -1.250 11.822 -12.354 1.00 53.05 C ATOM 0 H LEU A 69 -3.000 12.139 -9.085 1.00 21.35 H new ATOM 0 HA LEU A 69 -3.810 12.603 -11.725 1.00 20.13 H new ATOM 0 HB2 LEU A 69 -3.313 9.994 -10.213 1.00 44.11 H new ATOM 0 HB3 LEU A 69 -3.454 10.117 -11.956 1.00 44.11 H new ATOM 0 HG LEU A 69 -1.261 11.386 -10.256 1.00 35.20 H new ATOM 0 HD11 LEU A 69 0.262 9.755 -11.341 1.00 14.14 H new ATOM 0 HD12 LEU A 69 -1.000 8.953 -10.377 1.00 14.14 H new ATOM 0 HD13 LEU A 69 -1.132 9.003 -12.151 1.00 14.14 H new ATOM 0 HD21 LEU A 69 -0.172 11.971 -12.406 1.00 53.05 H new ATOM 0 HD22 LEU A 69 -1.599 11.371 -13.283 1.00 53.05 H new ATOM 0 HD23 LEU A 69 -1.743 12.783 -12.210 1.00 53.05 H new ATOM 1107 N LEU A 70 -6.108 11.231 -9.798 1.00 51.53 N ATOM 1108 CA LEU A 70 -7.547 10.933 -9.693 1.00 70.55 C ATOM 1109 C LEU A 70 -8.381 12.134 -10.190 1.00 43.12 C ATOM 1110 O LEU A 70 -9.106 12.010 -11.176 1.00 54.34 O ATOM 1111 CB LEU A 70 -7.935 10.525 -8.240 1.00 12.03 C ATOM 1112 CG LEU A 70 -7.379 9.147 -7.741 1.00 13.42 C ATOM 1113 CD1 LEU A 70 -7.728 8.905 -6.253 1.00 43.53 C ATOM 1114 CD2 LEU A 70 -7.877 7.985 -8.636 1.00 4.11 C ATOM 0 H LEU A 70 -5.610 11.179 -8.909 1.00 51.53 H new ATOM 0 HA LEU A 70 -7.770 10.080 -10.334 1.00 70.55 H new ATOM 0 HB2 LEU A 70 -7.586 11.302 -7.560 1.00 12.03 H new ATOM 0 HB3 LEU A 70 -9.022 10.503 -8.168 1.00 12.03 H new ATOM 0 HG LEU A 70 -6.292 9.180 -7.820 1.00 13.42 H new ATOM 0 HD11 LEU A 70 -7.328 7.941 -5.938 1.00 43.53 H new ATOM 0 HD12 LEU A 70 -7.291 9.696 -5.643 1.00 43.53 H new ATOM 0 HD13 LEU A 70 -8.811 8.907 -6.128 1.00 43.53 H new ATOM 0 HD21 LEU A 70 -7.475 7.042 -8.265 1.00 4.11 H new ATOM 0 HD22 LEU A 70 -8.966 7.949 -8.613 1.00 4.11 H new ATOM 0 HD23 LEU A 70 -7.541 8.145 -9.660 1.00 4.11 H new ATOM 1126 N ILE A 71 -8.191 13.313 -9.556 1.00 1.22 N ATOM 1127 CA ILE A 71 -8.940 14.545 -9.903 1.00 74.44 C ATOM 1128 C ILE A 71 -8.627 15.003 -11.345 1.00 55.11 C ATOM 1129 O ILE A 71 -9.533 15.326 -12.126 1.00 3.43 O ATOM 1130 CB ILE A 71 -8.611 15.723 -8.913 1.00 21.31 C ATOM 1131 CG1 ILE A 71 -8.791 15.279 -7.429 1.00 64.24 C ATOM 1132 CG2 ILE A 71 -9.488 16.959 -9.229 1.00 11.12 C ATOM 1133 CD1 ILE A 71 -8.401 16.329 -6.402 1.00 54.10 C ATOM 0 H ILE A 71 -7.522 13.439 -8.797 1.00 1.22 H new ATOM 0 HA ILE A 71 -9.998 14.298 -9.822 1.00 74.44 H new ATOM 0 HB ILE A 71 -7.566 15.999 -9.052 1.00 21.31 H new ATOM 0 HG12 ILE A 71 -9.834 15.004 -7.270 1.00 64.24 H new ATOM 0 HG13 ILE A 71 -8.195 14.383 -7.257 1.00 64.24 H new ATOM 0 HG21 ILE A 71 -9.247 17.764 -8.534 1.00 11.12 H new ATOM 0 HG22 ILE A 71 -9.295 17.291 -10.249 1.00 11.12 H new ATOM 0 HG23 ILE A 71 -10.540 16.694 -9.126 1.00 11.12 H new ATOM 0 HD11 ILE A 71 -8.559 15.933 -5.399 1.00 54.10 H new ATOM 0 HD12 ILE A 71 -7.350 16.589 -6.528 1.00 54.10 H new ATOM 0 HD13 ILE A 71 -9.014 17.219 -6.541 1.00 54.10 H new ATOM 1145 N LEU A 72 -7.323 14.985 -11.667 1.00 64.22 N ATOM 1146 CA LEU A 72 -6.758 15.427 -12.956 1.00 31.14 C ATOM 1147 C LEU A 72 -7.416 14.663 -14.120 1.00 63.25 C ATOM 1148 O LEU A 72 -7.719 15.251 -15.166 1.00 62.33 O ATOM 1149 CB LEU A 72 -5.201 15.233 -12.893 1.00 55.53 C ATOM 1150 CG LEU A 72 -4.297 15.701 -14.097 1.00 44.42 C ATOM 1151 CD1 LEU A 72 -4.247 14.672 -15.246 1.00 12.01 C ATOM 1152 CD2 LEU A 72 -4.694 17.109 -14.603 1.00 60.11 C ATOM 0 H LEU A 72 -6.610 14.652 -11.018 1.00 64.22 H new ATOM 0 HA LEU A 72 -6.966 16.482 -13.137 1.00 31.14 H new ATOM 0 HB2 LEU A 72 -4.846 15.750 -12.002 1.00 55.53 H new ATOM 0 HB3 LEU A 72 -5.013 14.170 -12.741 1.00 55.53 H new ATOM 0 HG LEU A 72 -3.282 15.770 -13.705 1.00 44.42 H new ATOM 0 HD11 LEU A 72 -3.610 15.050 -16.045 1.00 12.01 H new ATOM 0 HD12 LEU A 72 -3.843 13.731 -14.874 1.00 12.01 H new ATOM 0 HD13 LEU A 72 -5.253 14.508 -15.631 1.00 12.01 H new ATOM 0 HD21 LEU A 72 -4.047 17.393 -15.433 1.00 60.11 H new ATOM 0 HD22 LEU A 72 -5.731 17.096 -14.940 1.00 60.11 H new ATOM 0 HD23 LEU A 72 -4.585 17.831 -13.794 1.00 60.11 H new ATOM 1164 N HIS A 73 -7.664 13.360 -13.909 1.00 3.30 N ATOM 1165 CA HIS A 73 -8.302 12.505 -14.919 1.00 3.22 C ATOM 1166 C HIS A 73 -9.824 12.702 -14.950 1.00 61.43 C ATOM 1167 O HIS A 73 -10.366 13.147 -15.970 1.00 40.32 O ATOM 1168 CB HIS A 73 -7.956 11.009 -14.682 1.00 60.14 C ATOM 1169 CG HIS A 73 -6.600 10.607 -15.199 1.00 45.31 C ATOM 1170 ND1 HIS A 73 -6.408 9.572 -16.091 1.00 24.32 N ATOM 1171 CD2 HIS A 73 -5.372 11.126 -14.968 1.00 74.02 C ATOM 1172 CE1 HIS A 73 -5.129 9.483 -16.384 1.00 3.24 C ATOM 1173 NE2 HIS A 73 -4.483 10.413 -15.717 1.00 13.02 N ATOM 0 H HIS A 73 -7.430 12.875 -13.043 1.00 3.30 H new ATOM 0 HA HIS A 73 -7.906 12.804 -15.890 1.00 3.22 H new ATOM 0 HB2 HIS A 73 -8.003 10.800 -13.613 1.00 60.14 H new ATOM 0 HB3 HIS A 73 -8.715 10.390 -15.161 1.00 60.14 H new ATOM 0 HD2 HIS A 73 -5.139 11.952 -14.312 1.00 74.02 H new ATOM 0 HE1 HIS A 73 -4.685 8.767 -17.059 1.00 3.24 H new ATOM 0 HE2 HIS A 73 -3.477 10.576 -15.754 1.00 13.02 H new ATOM 1182 N ASP A 74 -10.502 12.424 -13.820 1.00 72.31 N ATOM 1183 CA ASP A 74 -11.963 12.178 -13.827 1.00 54.14 C ATOM 1184 C ASP A 74 -12.560 12.110 -12.409 1.00 62.44 C ATOM 1185 O ASP A 74 -13.662 12.619 -12.163 1.00 1.01 O ATOM 1186 CB ASP A 74 -12.220 10.840 -14.587 1.00 72.34 C ATOM 1187 CG ASP A 74 -13.685 10.386 -14.611 1.00 15.14 C ATOM 1188 OD1 ASP A 74 -14.459 10.907 -15.438 1.00 33.21 O ATOM 1189 OD2 ASP A 74 -14.057 9.479 -13.828 1.00 53.05 O ATOM 0 H ASP A 74 -10.070 12.364 -12.898 1.00 72.31 H new ATOM 0 HA ASP A 74 -12.455 13.013 -14.325 1.00 54.14 H new ATOM 0 HB2 ASP A 74 -11.871 10.949 -15.614 1.00 72.34 H new ATOM 0 HB3 ASP A 74 -11.619 10.056 -14.127 1.00 72.34 H new ATOM 1194 N PHE A 75 -11.824 11.472 -11.489 1.00 61.24 N ATOM 1195 CA PHE A 75 -12.338 11.096 -10.162 1.00 63.54 C ATOM 1196 C PHE A 75 -12.468 12.339 -9.264 1.00 63.51 C ATOM 1197 O PHE A 75 -11.465 12.921 -8.850 1.00 34.50 O ATOM 1198 CB PHE A 75 -11.409 10.037 -9.516 1.00 65.00 C ATOM 1199 CG PHE A 75 -12.077 9.145 -8.472 1.00 62.42 C ATOM 1200 CD1 PHE A 75 -12.171 9.531 -7.141 1.00 2.43 C ATOM 1201 CD2 PHE A 75 -12.583 7.900 -8.830 1.00 20.32 C ATOM 1202 CE1 PHE A 75 -12.752 8.700 -6.201 1.00 33.43 C ATOM 1203 CE2 PHE A 75 -13.171 7.074 -7.892 1.00 41.40 C ATOM 1204 CZ PHE A 75 -13.251 7.471 -6.579 1.00 35.32 C ATOM 0 H PHE A 75 -10.853 11.201 -11.643 1.00 61.24 H new ATOM 0 HA PHE A 75 -13.330 10.660 -10.275 1.00 63.54 H new ATOM 0 HB2 PHE A 75 -11.000 9.405 -10.304 1.00 65.00 H new ATOM 0 HB3 PHE A 75 -10.568 10.549 -9.050 1.00 65.00 H new ATOM 0 HD1 PHE A 75 -11.785 10.493 -6.836 1.00 2.43 H new ATOM 0 HD2 PHE A 75 -12.515 7.574 -9.857 1.00 20.32 H new ATOM 0 HE1 PHE A 75 -12.815 9.014 -5.169 1.00 33.43 H new ATOM 0 HE2 PHE A 75 -13.568 6.115 -8.191 1.00 41.40 H new ATOM 0 HZ PHE A 75 -13.704 6.822 -5.844 1.00 35.32 H new ATOM 1214 N THR A 76 -13.716 12.716 -8.984 1.00 42.31 N ATOM 1215 CA THR A 76 -14.079 13.877 -8.190 1.00 74.12 C ATOM 1216 C THR A 76 -13.393 13.861 -6.786 1.00 1.34 C ATOM 1217 O THR A 76 -13.370 12.809 -6.132 1.00 31.44 O ATOM 1218 CB THR A 76 -15.631 13.881 -8.039 1.00 52.22 C ATOM 1219 OG1 THR A 76 -16.258 13.801 -9.335 1.00 14.42 O ATOM 1220 CG2 THR A 76 -16.141 15.111 -7.304 1.00 65.52 C ATOM 0 H THR A 76 -14.528 12.198 -9.319 1.00 42.31 H new ATOM 0 HA THR A 76 -13.736 14.781 -8.693 1.00 74.12 H new ATOM 0 HB THR A 76 -15.893 13.007 -7.443 1.00 52.22 H new ATOM 0 HG1 THR A 76 -17.232 13.803 -9.228 1.00 14.42 H new ATOM 0 HG21 THR A 76 -17.227 15.064 -7.226 1.00 65.52 H new ATOM 0 HG22 THR A 76 -15.707 15.144 -6.305 1.00 65.52 H new ATOM 0 HG23 THR A 76 -15.855 16.008 -7.854 1.00 65.52 H new ATOM 1228 N PRO A 77 -12.818 15.024 -6.313 1.00 30.22 N ATOM 1229 CA PRO A 77 -12.204 15.148 -4.953 1.00 44.30 C ATOM 1230 C PRO A 77 -13.183 14.783 -3.826 1.00 43.43 C ATOM 1231 O PRO A 77 -12.778 14.279 -2.780 1.00 4.32 O ATOM 1232 CB PRO A 77 -11.791 16.645 -4.878 1.00 50.21 C ATOM 1233 CG PRO A 77 -12.590 17.322 -5.954 1.00 20.30 C ATOM 1234 CD PRO A 77 -12.695 16.307 -7.063 1.00 53.11 C ATOM 0 HA PRO A 77 -11.369 14.461 -4.818 1.00 44.30 H new ATOM 0 HB2 PRO A 77 -12.012 17.067 -3.898 1.00 50.21 H new ATOM 0 HB3 PRO A 77 -10.721 16.768 -5.044 1.00 50.21 H new ATOM 0 HG2 PRO A 77 -13.576 17.611 -5.590 1.00 20.30 H new ATOM 0 HG3 PRO A 77 -12.097 18.232 -6.298 1.00 20.30 H new ATOM 0 HD2 PRO A 77 -13.560 16.490 -7.700 1.00 53.11 H new ATOM 0 HD3 PRO A 77 -11.816 16.318 -7.708 1.00 53.11 H new ATOM 1242 N GLU A 78 -14.477 15.049 -4.083 1.00 2.35 N ATOM 1243 CA GLU A 78 -15.584 14.757 -3.162 1.00 52.51 C ATOM 1244 C GLU A 78 -15.808 13.245 -3.022 1.00 2.34 C ATOM 1245 O GLU A 78 -16.163 12.765 -1.944 1.00 53.21 O ATOM 1246 CB GLU A 78 -16.857 15.490 -3.642 1.00 32.22 C ATOM 1247 CG GLU A 78 -16.672 17.020 -3.736 1.00 51.33 C ATOM 1248 CD GLU A 78 -17.892 17.765 -4.291 1.00 40.22 C ATOM 1249 OE1 GLU A 78 -18.893 17.904 -3.552 1.00 33.42 O ATOM 1250 OE2 GLU A 78 -17.853 18.219 -5.461 1.00 12.03 O ATOM 0 H GLU A 78 -14.785 15.481 -4.954 1.00 2.35 H new ATOM 0 HA GLU A 78 -15.330 15.124 -2.168 1.00 52.51 H new ATOM 0 HB2 GLU A 78 -17.145 15.104 -4.620 1.00 32.22 H new ATOM 0 HB3 GLU A 78 -17.676 15.270 -2.958 1.00 32.22 H new ATOM 0 HG2 GLU A 78 -16.442 17.409 -2.744 1.00 51.33 H new ATOM 0 HG3 GLU A 78 -15.811 17.233 -4.369 1.00 51.33 H new ATOM 1257 N GLU A 79 -15.569 12.500 -4.115 1.00 62.11 N ATOM 1258 CA GLU A 79 -15.629 11.025 -4.105 1.00 21.30 C ATOM 1259 C GLU A 79 -14.418 10.427 -3.359 1.00 12.22 C ATOM 1260 O GLU A 79 -14.557 9.424 -2.653 1.00 41.24 O ATOM 1261 CB GLU A 79 -15.695 10.467 -5.548 1.00 60.34 C ATOM 1262 CG GLU A 79 -16.941 10.885 -6.348 1.00 3.01 C ATOM 1263 CD GLU A 79 -18.253 10.360 -5.744 1.00 42.31 C ATOM 1264 OE1 GLU A 79 -18.551 9.155 -5.917 1.00 74.24 O ATOM 1265 OE2 GLU A 79 -18.991 11.142 -5.098 1.00 23.32 O ATOM 0 H GLU A 79 -15.331 12.897 -5.024 1.00 62.11 H new ATOM 0 HA GLU A 79 -16.537 10.734 -3.577 1.00 21.30 H new ATOM 0 HB2 GLU A 79 -14.807 10.794 -6.089 1.00 60.34 H new ATOM 0 HB3 GLU A 79 -15.658 9.379 -5.503 1.00 60.34 H new ATOM 0 HG2 GLU A 79 -16.983 11.973 -6.401 1.00 3.01 H new ATOM 0 HG3 GLU A 79 -16.848 10.520 -7.371 1.00 3.01 H new ATOM 1272 N ILE A 80 -13.234 11.060 -3.535 1.00 13.33 N ATOM 1273 CA ILE A 80 -11.981 10.674 -2.844 1.00 42.44 C ATOM 1274 C ILE A 80 -12.159 10.775 -1.320 1.00 43.12 C ATOM 1275 O ILE A 80 -11.963 9.797 -0.579 1.00 25.22 O ATOM 1276 CB ILE A 80 -10.777 11.601 -3.284 1.00 62.05 C ATOM 1277 CG1 ILE A 80 -10.495 11.480 -4.811 1.00 62.23 C ATOM 1278 CG2 ILE A 80 -9.501 11.309 -2.457 1.00 52.45 C ATOM 1279 CD1 ILE A 80 -9.389 12.379 -5.342 1.00 1.03 C ATOM 0 H ILE A 80 -13.121 11.856 -4.163 1.00 13.33 H new ATOM 0 HA ILE A 80 -11.755 9.645 -3.122 1.00 42.44 H new ATOM 0 HB ILE A 80 -11.072 12.631 -3.081 1.00 62.05 H new ATOM 0 HG12 ILE A 80 -10.238 10.445 -5.035 1.00 62.23 H new ATOM 0 HG13 ILE A 80 -11.414 11.705 -5.352 1.00 62.23 H new ATOM 0 HG21 ILE A 80 -8.695 11.965 -2.787 1.00 52.45 H new ATOM 0 HG22 ILE A 80 -9.703 11.487 -1.401 1.00 52.45 H new ATOM 0 HG23 ILE A 80 -9.205 10.270 -2.600 1.00 52.45 H new ATOM 0 HD11 ILE A 80 -9.272 12.218 -6.414 1.00 1.03 H new ATOM 0 HD12 ILE A 80 -9.648 13.422 -5.158 1.00 1.03 H new ATOM 0 HD13 ILE A 80 -8.453 12.142 -4.836 1.00 1.03 H new ATOM 1291 N LYS A 81 -12.572 11.976 -0.882 1.00 4.25 N ATOM 1292 CA LYS A 81 -12.699 12.306 0.538 1.00 23.41 C ATOM 1293 C LYS A 81 -13.881 11.556 1.177 1.00 24.25 C ATOM 1294 O LYS A 81 -13.867 11.330 2.377 1.00 31.24 O ATOM 1295 CB LYS A 81 -12.786 13.847 0.736 1.00 2.31 C ATOM 1296 CG LYS A 81 -14.089 14.510 0.237 1.00 33.14 C ATOM 1297 CD LYS A 81 -13.927 16.019 -0.100 1.00 53.04 C ATOM 1298 CE LYS A 81 -13.492 16.887 1.092 1.00 74.12 C ATOM 1299 NZ LYS A 81 -13.348 18.321 0.700 1.00 32.42 N ATOM 0 H LYS A 81 -12.826 12.742 -1.506 1.00 4.25 H new ATOM 0 HA LYS A 81 -11.803 11.969 1.058 1.00 23.41 H new ATOM 0 HB2 LYS A 81 -12.671 14.066 1.798 1.00 2.31 H new ATOM 0 HB3 LYS A 81 -11.944 14.310 0.222 1.00 2.31 H new ATOM 0 HG2 LYS A 81 -14.439 13.983 -0.651 1.00 33.14 H new ATOM 0 HG3 LYS A 81 -14.860 14.397 0.999 1.00 33.14 H new ATOM 0 HD2 LYS A 81 -13.193 16.125 -0.899 1.00 53.04 H new ATOM 0 HD3 LYS A 81 -14.874 16.398 -0.485 1.00 53.04 H new ATOM 0 HE2 LYS A 81 -14.225 16.800 1.894 1.00 74.12 H new ATOM 0 HE3 LYS A 81 -12.544 16.519 1.485 1.00 74.12 H new ATOM 0 HZ1 LYS A 81 -13.054 18.879 1.527 1.00 32.42 H new ATOM 0 HZ2 LYS A 81 -12.631 18.406 -0.048 1.00 32.42 H new ATOM 0 HZ3 LYS A 81 -14.259 18.678 0.348 1.00 32.42 H new ATOM 1313 N SER A 82 -14.856 11.110 0.339 1.00 21.22 N ATOM 1314 CA SER A 82 -16.026 10.299 0.775 1.00 53.42 C ATOM 1315 C SER A 82 -15.605 8.973 1.445 1.00 32.40 C ATOM 1316 O SER A 82 -16.338 8.431 2.284 1.00 33.03 O ATOM 1317 CB SER A 82 -16.935 10.000 -0.443 1.00 61.32 C ATOM 1318 OG SER A 82 -18.067 9.217 -0.097 1.00 4.10 O ATOM 0 H SER A 82 -14.852 11.304 -0.662 1.00 21.22 H new ATOM 0 HA SER A 82 -16.569 10.883 1.518 1.00 53.42 H new ATOM 0 HB2 SER A 82 -17.268 10.940 -0.883 1.00 61.32 H new ATOM 0 HB3 SER A 82 -16.356 9.479 -1.205 1.00 61.32 H new ATOM 0 HG SER A 82 -18.610 9.056 -0.897 1.00 4.10 H new ATOM 1324 N PHE A 83 -14.427 8.454 1.054 1.00 41.35 N ATOM 1325 CA PHE A 83 -13.862 7.218 1.628 1.00 22.44 C ATOM 1326 C PHE A 83 -13.195 7.491 2.992 1.00 71.24 C ATOM 1327 O PHE A 83 -13.185 6.619 3.857 1.00 0.44 O ATOM 1328 CB PHE A 83 -12.858 6.578 0.640 1.00 11.31 C ATOM 1329 CG PHE A 83 -13.468 6.219 -0.722 1.00 51.35 C ATOM 1330 CD1 PHE A 83 -14.585 5.387 -0.806 1.00 12.04 C ATOM 1331 CD2 PHE A 83 -12.932 6.714 -1.912 1.00 55.51 C ATOM 1332 CE1 PHE A 83 -15.141 5.064 -2.033 1.00 30.12 C ATOM 1333 CE2 PHE A 83 -13.489 6.390 -3.133 1.00 30.12 C ATOM 1334 CZ PHE A 83 -14.592 5.567 -3.196 1.00 32.23 C ATOM 0 H PHE A 83 -13.841 8.877 0.334 1.00 41.35 H new ATOM 0 HA PHE A 83 -14.678 6.515 1.796 1.00 22.44 H new ATOM 0 HB2 PHE A 83 -12.027 7.266 0.485 1.00 11.31 H new ATOM 0 HB3 PHE A 83 -12.445 5.676 1.091 1.00 11.31 H new ATOM 0 HD1 PHE A 83 -15.022 4.989 0.098 1.00 12.04 H new ATOM 0 HD2 PHE A 83 -12.068 7.361 -1.877 1.00 55.51 H new ATOM 0 HE1 PHE A 83 -16.005 4.418 -2.080 1.00 30.12 H new ATOM 0 HE2 PHE A 83 -13.058 6.783 -4.042 1.00 30.12 H new ATOM 0 HZ PHE A 83 -15.026 5.316 -4.152 1.00 32.23 H new ATOM 1344 N PHE A 84 -12.659 8.716 3.175 1.00 43.31 N ATOM 1345 CA PHE A 84 -12.105 9.168 4.476 1.00 51.14 C ATOM 1346 C PHE A 84 -13.251 9.531 5.450 1.00 42.40 C ATOM 1347 O PHE A 84 -13.104 9.401 6.672 1.00 62.24 O ATOM 1348 CB PHE A 84 -11.150 10.381 4.287 1.00 42.33 C ATOM 1349 CG PHE A 84 -9.905 10.086 3.439 1.00 11.25 C ATOM 1350 CD1 PHE A 84 -8.886 9.269 3.927 1.00 4.15 C ATOM 1351 CD2 PHE A 84 -9.755 10.623 2.159 1.00 74.51 C ATOM 1352 CE1 PHE A 84 -7.767 9.001 3.161 1.00 3.40 C ATOM 1353 CE2 PHE A 84 -8.638 10.353 1.398 1.00 12.30 C ATOM 1354 CZ PHE A 84 -7.645 9.543 1.900 1.00 23.45 C ATOM 0 H PHE A 84 -12.597 9.416 2.436 1.00 43.31 H new ATOM 0 HA PHE A 84 -11.527 8.347 4.902 1.00 51.14 H new ATOM 0 HB2 PHE A 84 -11.706 11.196 3.822 1.00 42.33 H new ATOM 0 HB3 PHE A 84 -10.831 10.732 5.268 1.00 42.33 H new ATOM 0 HD1 PHE A 84 -8.972 8.841 4.915 1.00 4.15 H new ATOM 0 HD2 PHE A 84 -10.528 11.262 1.758 1.00 74.51 H new ATOM 0 HE1 PHE A 84 -6.986 8.365 3.552 1.00 3.40 H new ATOM 0 HE2 PHE A 84 -8.542 10.776 0.409 1.00 12.30 H new ATOM 0 HZ PHE A 84 -6.769 9.332 1.305 1.00 23.45 H new ATOM 1364 N GLU A 85 -14.390 9.984 4.882 1.00 62.02 N ATOM 1365 CA GLU A 85 -15.646 10.193 5.632 1.00 63.52 C ATOM 1366 C GLU A 85 -16.265 8.830 5.989 1.00 23.31 C ATOM 1367 O GLU A 85 -16.932 8.689 7.021 1.00 3.13 O ATOM 1368 CB GLU A 85 -16.670 11.016 4.797 1.00 63.14 C ATOM 1369 CG GLU A 85 -16.143 12.349 4.232 1.00 70.00 C ATOM 1370 CD GLU A 85 -15.650 13.345 5.291 1.00 21.11 C ATOM 1371 OE1 GLU A 85 -16.474 14.129 5.809 1.00 72.42 O ATOM 1372 OE2 GLU A 85 -14.437 13.369 5.598 1.00 4.03 O ATOM 0 H GLU A 85 -14.464 10.215 3.891 1.00 62.02 H new ATOM 0 HA GLU A 85 -15.411 10.750 6.539 1.00 63.52 H new ATOM 0 HB2 GLU A 85 -17.015 10.400 3.966 1.00 63.14 H new ATOM 0 HB3 GLU A 85 -17.539 11.224 5.422 1.00 63.14 H new ATOM 0 HG2 GLU A 85 -15.325 12.138 3.543 1.00 70.00 H new ATOM 0 HG3 GLU A 85 -16.936 12.820 3.651 1.00 70.00 H new ATOM 1379 N ASN A 86 -16.011 7.854 5.098 1.00 74.41 N ATOM 1380 CA ASN A 86 -16.531 6.481 5.160 1.00 23.31 C ATOM 1381 C ASN A 86 -18.073 6.471 5.199 1.00 22.43 C ATOM 1382 O ASN A 86 -18.702 6.148 6.209 1.00 21.31 O ATOM 1383 CB ASN A 86 -15.891 5.658 6.320 1.00 32.11 C ATOM 1384 CG ASN A 86 -16.319 4.180 6.333 1.00 71.33 C ATOM 1385 OD1 ASN A 86 -16.619 3.592 5.287 1.00 2.44 O ATOM 1386 ND2 ASN A 86 -16.346 3.569 7.510 1.00 13.10 N ATOM 0 H ASN A 86 -15.415 8.009 4.285 1.00 74.41 H new ATOM 0 HA ASN A 86 -16.233 5.975 4.241 1.00 23.31 H new ATOM 0 HB2 ASN A 86 -14.805 5.713 6.238 1.00 32.11 H new ATOM 0 HB3 ASN A 86 -16.162 6.115 7.272 1.00 32.11 H new ATOM 0 HD21 ASN A 86 -16.620 2.588 7.569 1.00 13.10 H new ATOM 0 HD22 ASN A 86 -16.093 4.080 8.356 1.00 13.10 H new ATOM 1393 N LYS A 87 -18.663 6.910 4.082 1.00 3.01 N ATOM 1394 CA LYS A 87 -20.113 6.796 3.844 1.00 1.53 C ATOM 1395 C LYS A 87 -20.435 5.476 3.109 1.00 63.12 C ATOM 1396 O LYS A 87 -21.591 5.214 2.761 1.00 41.11 O ATOM 1397 CB LYS A 87 -20.612 8.047 3.067 1.00 2.10 C ATOM 1398 CG LYS A 87 -20.384 9.378 3.837 1.00 15.11 C ATOM 1399 CD LYS A 87 -20.878 10.628 3.070 1.00 72.34 C ATOM 1400 CE LYS A 87 -20.139 10.856 1.744 1.00 0.11 C ATOM 1401 NZ LYS A 87 -20.538 12.139 1.105 1.00 11.40 N ATOM 0 H LYS A 87 -18.154 7.354 3.317 1.00 3.01 H new ATOM 0 HA LYS A 87 -20.644 6.764 4.795 1.00 1.53 H new ATOM 0 HB2 LYS A 87 -20.099 8.098 2.106 1.00 2.10 H new ATOM 0 HB3 LYS A 87 -21.675 7.935 2.855 1.00 2.10 H new ATOM 0 HG2 LYS A 87 -20.896 9.325 4.798 1.00 15.11 H new ATOM 0 HG3 LYS A 87 -19.320 9.488 4.049 1.00 15.11 H new ATOM 0 HD2 LYS A 87 -21.945 10.526 2.871 1.00 72.34 H new ATOM 0 HD3 LYS A 87 -20.755 11.507 3.703 1.00 72.34 H new ATOM 0 HE2 LYS A 87 -19.064 10.857 1.922 1.00 0.11 H new ATOM 0 HE3 LYS A 87 -20.348 10.030 1.064 1.00 0.11 H new ATOM 0 HZ1 LYS A 87 -20.018 12.258 0.212 1.00 11.40 H new ATOM 0 HZ2 LYS A 87 -21.560 12.128 0.912 1.00 11.40 H new ATOM 0 HZ3 LYS A 87 -20.315 12.929 1.744 1.00 11.40 H new ATOM 1415 N GLY A 88 -19.380 4.648 2.889 1.00 52.55 N ATOM 1416 CA GLY A 88 -19.523 3.291 2.364 1.00 61.04 C ATOM 1417 C GLY A 88 -19.817 2.299 3.481 1.00 74.12 C ATOM 1418 O GLY A 88 -20.954 2.227 3.954 1.00 12.23 O ATOM 0 H GLY A 88 -18.413 4.915 3.075 1.00 52.55 H new ATOM 0 HA2 GLY A 88 -20.328 3.265 1.629 1.00 61.04 H new ATOM 0 HA3 GLY A 88 -18.609 3.000 1.846 1.00 61.04 H new ATOM 1422 N LYS A 89 -18.791 1.542 3.911 1.00 30.02 N ATOM 1423 CA LYS A 89 -18.891 0.560 5.017 1.00 53.15 C ATOM 1424 C LYS A 89 -17.583 0.558 5.816 1.00 24.43 C ATOM 1425 O LYS A 89 -17.563 0.844 7.014 1.00 44.33 O ATOM 1426 CB LYS A 89 -19.191 -0.883 4.492 1.00 72.43 C ATOM 1427 CG LYS A 89 -20.615 -1.104 3.945 1.00 23.11 C ATOM 1428 CD LYS A 89 -21.720 -0.838 4.995 1.00 14.24 C ATOM 1429 CE LYS A 89 -21.604 -1.722 6.252 1.00 35.42 C ATOM 1430 NZ LYS A 89 -22.702 -1.438 7.218 1.00 52.14 N ATOM 0 H LYS A 89 -17.859 1.592 3.500 1.00 30.02 H new ATOM 0 HA LYS A 89 -19.722 0.858 5.656 1.00 53.15 H new ATOM 0 HB2 LYS A 89 -18.476 -1.121 3.704 1.00 72.43 H new ATOM 0 HB3 LYS A 89 -19.018 -1.590 5.303 1.00 72.43 H new ATOM 0 HG2 LYS A 89 -20.773 -0.450 3.087 1.00 23.11 H new ATOM 0 HG3 LYS A 89 -20.704 -2.129 3.585 1.00 23.11 H new ATOM 0 HD2 LYS A 89 -21.681 0.210 5.293 1.00 14.24 H new ATOM 0 HD3 LYS A 89 -22.694 -1.002 4.534 1.00 14.24 H new ATOM 0 HE2 LYS A 89 -21.633 -2.773 5.964 1.00 35.42 H new ATOM 0 HE3 LYS A 89 -20.641 -1.550 6.732 1.00 35.42 H new ATOM 0 HZ1 LYS A 89 -22.626 -2.084 8.030 1.00 52.14 H new ATOM 0 HZ2 LYS A 89 -22.627 -0.455 7.549 1.00 52.14 H new ATOM 0 HZ3 LYS A 89 -23.620 -1.577 6.750 1.00 52.14 H new ATOM 1444 N ARG A 90 -16.502 0.201 5.120 1.00 73.51 N ATOM 1445 CA ARG A 90 -15.128 0.240 5.634 1.00 44.44 C ATOM 1446 C ARG A 90 -14.348 1.181 4.695 1.00 11.14 C ATOM 1447 O ARG A 90 -14.508 1.056 3.467 1.00 23.15 O ATOM 1448 CB ARG A 90 -14.528 -1.201 5.635 1.00 71.34 C ATOM 1449 CG ARG A 90 -13.114 -1.328 6.259 1.00 63.22 C ATOM 1450 CD ARG A 90 -12.599 -2.779 6.273 1.00 44.31 C ATOM 1451 NE ARG A 90 -12.557 -3.341 4.915 1.00 21.52 N ATOM 1452 CZ ARG A 90 -12.802 -4.615 4.584 1.00 10.45 C ATOM 1453 NH1 ARG A 90 -13.112 -5.527 5.502 1.00 62.53 N ATOM 1454 NH2 ARG A 90 -12.739 -4.966 3.313 1.00 23.11 N ATOM 0 H ARG A 90 -16.558 -0.132 4.158 1.00 73.51 H new ATOM 0 HA ARG A 90 -15.079 0.603 6.661 1.00 44.44 H new ATOM 0 HB2 ARG A 90 -15.207 -1.859 6.177 1.00 71.34 H new ATOM 0 HB3 ARG A 90 -14.487 -1.561 4.607 1.00 71.34 H new ATOM 0 HG2 ARG A 90 -12.417 -0.705 5.699 1.00 63.22 H new ATOM 0 HG3 ARG A 90 -13.136 -0.945 7.279 1.00 63.22 H new ATOM 0 HD2 ARG A 90 -11.602 -2.810 6.713 1.00 44.31 H new ATOM 0 HD3 ARG A 90 -13.245 -3.391 6.903 1.00 44.31 H new ATOM 0 HE ARG A 90 -12.320 -2.702 4.156 1.00 21.52 H new ATOM 0 HH11 ARG A 90 -13.168 -5.262 6.485 1.00 62.53 H new ATOM 0 HH12 ARG A 90 -13.294 -6.491 5.222 1.00 62.53 H new ATOM 0 HH21 ARG A 90 -12.507 -4.271 2.603 1.00 23.11 H new ATOM 0 HH22 ARG A 90 -12.922 -5.932 3.041 1.00 23.11 H new ATOM 1468 N PRO A 91 -13.533 2.151 5.228 1.00 51.31 N ATOM 1469 CA PRO A 91 -12.839 3.151 4.381 1.00 64.04 C ATOM 1470 C PRO A 91 -11.907 2.479 3.344 1.00 2.31 C ATOM 1471 O PRO A 91 -11.069 1.646 3.701 1.00 3.14 O ATOM 1472 CB PRO A 91 -12.060 4.032 5.408 1.00 72.22 C ATOM 1473 CG PRO A 91 -11.979 3.210 6.663 1.00 31.35 C ATOM 1474 CD PRO A 91 -13.220 2.344 6.677 1.00 43.43 C ATOM 0 HA PRO A 91 -13.526 3.741 3.775 1.00 64.04 H new ATOM 0 HB2 PRO A 91 -11.066 4.281 5.037 1.00 72.22 H new ATOM 0 HB3 PRO A 91 -12.577 4.974 5.589 1.00 72.22 H new ATOM 0 HG2 PRO A 91 -11.077 2.598 6.671 1.00 31.35 H new ATOM 0 HG3 PRO A 91 -11.939 3.849 7.545 1.00 31.35 H new ATOM 0 HD2 PRO A 91 -13.039 1.393 7.178 1.00 43.43 H new ATOM 0 HD3 PRO A 91 -14.042 2.830 7.203 1.00 43.43 H new ATOM 1482 N VAL A 92 -12.134 2.789 2.051 1.00 41.32 N ATOM 1483 CA VAL A 92 -11.291 2.298 0.947 1.00 42.43 C ATOM 1484 C VAL A 92 -9.950 3.040 0.990 1.00 2.20 C ATOM 1485 O VAL A 92 -8.876 2.438 0.970 1.00 72.41 O ATOM 1486 CB VAL A 92 -11.990 2.509 -0.451 1.00 72.35 C ATOM 1487 CG1 VAL A 92 -11.127 1.956 -1.612 1.00 10.14 C ATOM 1488 CG2 VAL A 92 -13.410 1.890 -0.461 1.00 41.24 C ATOM 0 H VAL A 92 -12.904 3.384 1.746 1.00 41.32 H new ATOM 0 HA VAL A 92 -11.132 1.227 1.070 1.00 42.43 H new ATOM 0 HB VAL A 92 -12.091 3.583 -0.608 1.00 72.35 H new ATOM 0 HG11 VAL A 92 -11.642 2.120 -2.558 1.00 10.14 H new ATOM 0 HG12 VAL A 92 -10.166 2.470 -1.628 1.00 10.14 H new ATOM 0 HG13 VAL A 92 -10.964 0.888 -1.468 1.00 10.14 H new ATOM 0 HG21 VAL A 92 -13.870 2.050 -1.436 1.00 41.24 H new ATOM 0 HG22 VAL A 92 -13.342 0.820 -0.262 1.00 41.24 H new ATOM 0 HG23 VAL A 92 -14.019 2.364 0.309 1.00 41.24 H new ATOM 1498 N PHE A 93 -10.051 4.371 1.039 1.00 23.33 N ATOM 1499 CA PHE A 93 -8.908 5.260 1.251 1.00 12.34 C ATOM 1500 C PHE A 93 -8.766 5.504 2.761 1.00 1.55 C ATOM 1501 O PHE A 93 -9.616 6.163 3.371 1.00 4.41 O ATOM 1502 CB PHE A 93 -9.112 6.605 0.496 1.00 44.23 C ATOM 1503 CG PHE A 93 -9.242 6.535 -1.037 1.00 51.41 C ATOM 1504 CD1 PHE A 93 -9.097 5.344 -1.754 1.00 60.41 C ATOM 1505 CD2 PHE A 93 -9.508 7.696 -1.760 1.00 63.53 C ATOM 1506 CE1 PHE A 93 -9.214 5.323 -3.130 1.00 74.12 C ATOM 1507 CE2 PHE A 93 -9.626 7.668 -3.140 1.00 54.31 C ATOM 1508 CZ PHE A 93 -9.479 6.484 -3.822 1.00 31.14 C ATOM 0 H PHE A 93 -10.937 4.865 0.932 1.00 23.33 H new ATOM 0 HA PHE A 93 -8.001 4.800 0.860 1.00 12.34 H new ATOM 0 HB2 PHE A 93 -10.009 7.082 0.890 1.00 44.23 H new ATOM 0 HB3 PHE A 93 -8.273 7.258 0.735 1.00 44.23 H new ATOM 0 HD1 PHE A 93 -8.890 4.426 -1.224 1.00 60.41 H new ATOM 0 HD2 PHE A 93 -9.624 8.633 -1.236 1.00 63.53 H new ATOM 0 HE1 PHE A 93 -9.097 4.392 -3.666 1.00 74.12 H new ATOM 0 HE2 PHE A 93 -9.834 8.579 -3.681 1.00 54.31 H new ATOM 0 HZ PHE A 93 -9.571 6.464 -4.898 1.00 31.14 H new ATOM 1518 N VAL A 94 -7.724 4.918 3.362 1.00 23.25 N ATOM 1519 CA VAL A 94 -7.429 5.052 4.802 1.00 15.53 C ATOM 1520 C VAL A 94 -6.127 5.856 4.980 1.00 61.02 C ATOM 1521 O VAL A 94 -5.290 5.881 4.074 1.00 23.31 O ATOM 1522 CB VAL A 94 -7.277 3.637 5.478 1.00 33.54 C ATOM 1523 CG1 VAL A 94 -7.164 3.752 7.007 1.00 75.32 C ATOM 1524 CG2 VAL A 94 -8.435 2.695 5.095 1.00 15.13 C ATOM 0 H VAL A 94 -7.054 4.332 2.863 1.00 23.25 H new ATOM 0 HA VAL A 94 -8.257 5.573 5.283 1.00 15.53 H new ATOM 0 HB VAL A 94 -6.351 3.205 5.099 1.00 33.54 H new ATOM 0 HG11 VAL A 94 -7.060 2.757 7.440 1.00 75.32 H new ATOM 0 HG12 VAL A 94 -6.291 4.352 7.263 1.00 75.32 H new ATOM 0 HG13 VAL A 94 -8.061 4.229 7.403 1.00 75.32 H new ATOM 0 HG21 VAL A 94 -8.294 1.729 5.581 1.00 15.13 H new ATOM 0 HG22 VAL A 94 -9.380 3.130 5.419 1.00 15.13 H new ATOM 0 HG23 VAL A 94 -8.450 2.558 4.014 1.00 15.13 H new ATOM 1534 N LYS A 95 -5.966 6.507 6.150 1.00 54.40 N ATOM 1535 CA LYS A 95 -4.747 7.266 6.488 1.00 22.44 C ATOM 1536 C LYS A 95 -4.515 7.314 8.009 1.00 65.11 C ATOM 1537 O LYS A 95 -5.338 6.835 8.797 1.00 11.35 O ATOM 1538 CB LYS A 95 -4.821 8.699 5.919 1.00 3.13 C ATOM 1539 CG LYS A 95 -5.981 9.559 6.471 1.00 72.53 C ATOM 1540 CD LYS A 95 -5.954 11.002 5.922 1.00 63.04 C ATOM 1541 CE LYS A 95 -4.704 11.789 6.364 1.00 20.12 C ATOM 1542 NZ LYS A 95 -4.659 13.149 5.760 1.00 21.14 N ATOM 0 H LYS A 95 -6.675 6.521 6.884 1.00 54.40 H new ATOM 0 HA LYS A 95 -3.903 6.747 6.033 1.00 22.44 H new ATOM 0 HB2 LYS A 95 -3.880 9.207 6.129 1.00 3.13 H new ATOM 0 HB3 LYS A 95 -4.916 8.639 4.835 1.00 3.13 H new ATOM 0 HG2 LYS A 95 -6.931 9.092 6.212 1.00 72.53 H new ATOM 0 HG3 LYS A 95 -5.925 9.586 7.559 1.00 72.53 H new ATOM 0 HD2 LYS A 95 -5.992 10.972 4.833 1.00 63.04 H new ATOM 0 HD3 LYS A 95 -6.847 11.530 6.257 1.00 63.04 H new ATOM 0 HE2 LYS A 95 -4.695 11.874 7.451 1.00 20.12 H new ATOM 0 HE3 LYS A 95 -3.808 11.236 6.080 1.00 20.12 H new ATOM 0 HZ1 LYS A 95 -4.037 13.760 6.327 1.00 21.14 H new ATOM 0 HZ2 LYS A 95 -4.291 13.086 4.789 1.00 21.14 H new ATOM 0 HZ3 LYS A 95 -5.617 13.552 5.741 1.00 21.14 H new ATOM 1556 N GLY A 96 -3.368 7.893 8.384 1.00 2.12 N ATOM 1557 CA GLY A 96 -2.966 8.075 9.779 1.00 13.51 C ATOM 1558 C GLY A 96 -1.527 7.638 9.968 1.00 64.24 C ATOM 1559 O GLY A 96 -0.732 7.717 9.031 1.00 61.41 O ATOM 0 H GLY A 96 -2.686 8.252 7.716 1.00 2.12 H new ATOM 0 HA2 GLY A 96 -3.077 9.121 10.064 1.00 13.51 H new ATOM 0 HA3 GLY A 96 -3.619 7.496 10.432 1.00 13.51 H new ATOM 1563 N SER A 97 -1.174 7.203 11.184 1.00 52.55 N ATOM 1564 CA SER A 97 0.112 6.527 11.441 1.00 31.14 C ATOM 1565 C SER A 97 0.048 5.089 10.868 1.00 63.34 C ATOM 1566 O SER A 97 -1.015 4.666 10.400 1.00 23.25 O ATOM 1567 CB SER A 97 0.392 6.523 12.963 1.00 22.03 C ATOM 1568 OG SER A 97 1.729 6.151 13.244 1.00 71.45 O ATOM 0 H SER A 97 -1.761 7.306 12.011 1.00 52.55 H new ATOM 0 HA SER A 97 0.930 7.055 10.950 1.00 31.14 H new ATOM 0 HB2 SER A 97 0.195 7.514 13.373 1.00 22.03 H new ATOM 0 HB3 SER A 97 -0.291 5.832 13.458 1.00 22.03 H new ATOM 0 HG SER A 97 1.874 6.160 14.213 1.00 71.45 H new ATOM 1574 N LEU A 98 1.168 4.333 10.906 1.00 32.33 N ATOM 1575 CA LEU A 98 1.195 2.940 10.391 1.00 55.02 C ATOM 1576 C LEU A 98 0.192 2.057 11.169 1.00 54.52 C ATOM 1577 O LEU A 98 -0.535 1.246 10.580 1.00 33.41 O ATOM 1578 CB LEU A 98 2.628 2.344 10.478 1.00 40.54 C ATOM 1579 CG LEU A 98 2.797 0.879 9.942 1.00 23.31 C ATOM 1580 CD1 LEU A 98 2.420 0.768 8.448 1.00 24.34 C ATOM 1581 CD2 LEU A 98 4.221 0.349 10.202 1.00 74.14 C ATOM 0 H LEU A 98 2.058 4.657 11.283 1.00 32.33 H new ATOM 0 HA LEU A 98 0.900 2.959 9.342 1.00 55.02 H new ATOM 0 HB2 LEU A 98 3.305 2.993 9.922 1.00 40.54 H new ATOM 0 HB3 LEU A 98 2.947 2.368 11.520 1.00 40.54 H new ATOM 0 HG LEU A 98 2.102 0.249 10.497 1.00 23.31 H new ATOM 0 HD11 LEU A 98 2.551 -0.262 8.115 1.00 24.34 H new ATOM 0 HD12 LEU A 98 1.380 1.064 8.312 1.00 24.34 H new ATOM 0 HD13 LEU A 98 3.063 1.423 7.861 1.00 24.34 H new ATOM 0 HD21 LEU A 98 4.306 -0.668 9.819 1.00 74.14 H new ATOM 0 HD22 LEU A 98 4.945 0.989 9.697 1.00 74.14 H new ATOM 0 HD23 LEU A 98 4.420 0.351 11.274 1.00 74.14 H new ATOM 1593 N GLU A 99 0.144 2.279 12.493 1.00 3.43 N ATOM 1594 CA GLU A 99 -0.781 1.590 13.404 1.00 33.24 C ATOM 1595 C GLU A 99 -2.232 2.065 13.181 1.00 2.32 C ATOM 1596 O GLU A 99 -3.125 1.246 12.994 1.00 34.25 O ATOM 1597 CB GLU A 99 -0.326 1.822 14.868 1.00 71.51 C ATOM 1598 CG GLU A 99 1.098 1.297 15.164 1.00 30.31 C ATOM 1599 CD GLU A 99 1.638 1.711 16.544 1.00 64.53 C ATOM 1600 OE1 GLU A 99 1.392 0.992 17.538 1.00 3.44 O ATOM 1601 OE2 GLU A 99 2.332 2.747 16.637 1.00 63.13 O ATOM 0 H GLU A 99 0.753 2.948 12.964 1.00 3.43 H new ATOM 0 HA GLU A 99 -0.761 0.520 13.196 1.00 33.24 H new ATOM 0 HB2 GLU A 99 -0.363 2.889 15.087 1.00 71.51 H new ATOM 0 HB3 GLU A 99 -1.031 1.334 15.541 1.00 71.51 H new ATOM 0 HG2 GLU A 99 1.095 0.209 15.097 1.00 30.31 H new ATOM 0 HG3 GLU A 99 1.777 1.662 14.394 1.00 30.31 H new ATOM 1608 N SER A 100 -2.427 3.405 13.137 1.00 62.14 N ATOM 1609 CA SER A 100 -3.761 4.035 12.997 1.00 14.24 C ATOM 1610 C SER A 100 -4.489 3.566 11.722 1.00 43.15 C ATOM 1611 O SER A 100 -5.650 3.138 11.768 1.00 52.21 O ATOM 1612 CB SER A 100 -3.605 5.573 12.954 1.00 1.14 C ATOM 1613 OG SER A 100 -2.845 6.067 14.039 1.00 32.04 O ATOM 0 H SER A 100 -1.664 4.079 13.198 1.00 62.14 H new ATOM 0 HA SER A 100 -4.359 3.735 13.857 1.00 14.24 H new ATOM 0 HB2 SER A 100 -3.127 5.861 12.018 1.00 1.14 H new ATOM 0 HB3 SER A 100 -4.592 6.036 12.964 1.00 1.14 H new ATOM 0 HG SER A 100 -2.771 7.042 13.970 1.00 32.04 H new ATOM 1619 N ALA A 101 -3.769 3.643 10.594 1.00 41.21 N ATOM 1620 CA ALA A 101 -4.294 3.304 9.269 1.00 13.05 C ATOM 1621 C ALA A 101 -4.633 1.810 9.168 1.00 22.55 C ATOM 1622 O ALA A 101 -5.550 1.420 8.446 1.00 45.22 O ATOM 1623 CB ALA A 101 -3.288 3.723 8.192 1.00 74.41 C ATOM 0 H ALA A 101 -2.795 3.946 10.579 1.00 41.21 H new ATOM 0 HA ALA A 101 -5.223 3.852 9.110 1.00 13.05 H new ATOM 0 HB1 ALA A 101 -3.682 3.469 7.208 1.00 74.41 H new ATOM 0 HB2 ALA A 101 -3.120 4.798 8.250 1.00 74.41 H new ATOM 0 HB3 ALA A 101 -2.345 3.200 8.351 1.00 74.41 H new ATOM 1629 N ALA A 102 -3.893 0.991 9.924 1.00 75.23 N ATOM 1630 CA ALA A 102 -4.109 -0.458 10.001 1.00 42.22 C ATOM 1631 C ALA A 102 -5.444 -0.787 10.686 1.00 1.42 C ATOM 1632 O ALA A 102 -6.228 -1.617 10.199 1.00 41.11 O ATOM 1633 CB ALA A 102 -2.952 -1.091 10.762 1.00 24.32 C ATOM 0 H ALA A 102 -3.121 1.318 10.504 1.00 75.23 H new ATOM 0 HA ALA A 102 -4.152 -0.863 8.990 1.00 42.22 H new ATOM 0 HB1 ALA A 102 -3.104 -2.169 10.824 1.00 24.32 H new ATOM 0 HB2 ALA A 102 -2.017 -0.886 10.240 1.00 24.32 H new ATOM 0 HB3 ALA A 102 -2.905 -0.672 11.767 1.00 24.32 H new ATOM 1639 N GLU A 103 -5.686 -0.096 11.814 1.00 35.44 N ATOM 1640 CA GLU A 103 -6.896 -0.270 12.642 1.00 21.44 C ATOM 1641 C GLU A 103 -8.167 0.095 11.857 1.00 60.04 C ATOM 1642 O GLU A 103 -9.143 -0.660 11.841 1.00 4.12 O ATOM 1643 CB GLU A 103 -6.778 0.610 13.917 1.00 70.52 C ATOM 1644 CG GLU A 103 -5.518 0.314 14.758 1.00 23.42 C ATOM 1645 CD GLU A 103 -5.321 1.265 15.947 1.00 20.30 C ATOM 1646 OE1 GLU A 103 -5.919 1.026 17.022 1.00 63.32 O ATOM 1647 OE2 GLU A 103 -4.565 2.252 15.822 1.00 32.24 O ATOM 0 H GLU A 103 -5.043 0.605 12.181 1.00 35.44 H new ATOM 0 HA GLU A 103 -6.975 -1.319 12.927 1.00 21.44 H new ATOM 0 HB2 GLU A 103 -6.771 1.660 13.624 1.00 70.52 H new ATOM 0 HB3 GLU A 103 -7.662 0.458 14.536 1.00 70.52 H new ATOM 0 HG2 GLU A 103 -5.575 -0.709 15.130 1.00 23.42 H new ATOM 0 HG3 GLU A 103 -4.642 0.370 14.112 1.00 23.42 H new ATOM 1654 N GLN A 104 -8.109 1.254 11.186 1.00 61.55 N ATOM 1655 CA GLN A 104 -9.233 1.799 10.403 1.00 62.33 C ATOM 1656 C GLN A 104 -9.500 0.959 9.131 1.00 64.10 C ATOM 1657 O GLN A 104 -10.639 0.882 8.670 1.00 31.33 O ATOM 1658 CB GLN A 104 -8.939 3.272 10.037 1.00 2.34 C ATOM 1659 CG GLN A 104 -8.789 4.223 11.242 1.00 50.44 C ATOM 1660 CD GLN A 104 -8.303 5.616 10.832 1.00 74.33 C ATOM 1661 OE1 GLN A 104 -9.093 6.505 10.519 1.00 24.54 O ATOM 1662 NE2 GLN A 104 -6.994 5.801 10.801 1.00 65.51 N ATOM 0 H GLN A 104 -7.278 1.845 11.170 1.00 61.55 H new ATOM 0 HA GLN A 104 -10.135 1.752 11.013 1.00 62.33 H new ATOM 0 HB2 GLN A 104 -8.023 3.309 9.447 1.00 2.34 H new ATOM 0 HB3 GLN A 104 -9.743 3.640 9.400 1.00 2.34 H new ATOM 0 HG2 GLN A 104 -9.748 4.312 11.752 1.00 50.44 H new ATOM 0 HG3 GLN A 104 -8.087 3.792 11.956 1.00 50.44 H new ATOM 0 HE21 GLN A 104 -6.365 5.043 11.067 1.00 65.51 H new ATOM 0 HE22 GLN A 104 -6.613 6.702 10.511 1.00 65.51 H new ATOM 1671 N ALA A 105 -8.443 0.327 8.585 1.00 3.24 N ATOM 1672 CA ALA A 105 -8.557 -0.567 7.405 1.00 54.35 C ATOM 1673 C ALA A 105 -8.952 -1.996 7.820 1.00 53.14 C ATOM 1674 O ALA A 105 -9.334 -2.813 6.974 1.00 24.11 O ATOM 1675 CB ALA A 105 -7.238 -0.574 6.621 1.00 31.32 C ATOM 0 H ALA A 105 -7.492 0.417 8.942 1.00 3.24 H new ATOM 0 HA ALA A 105 -9.348 -0.182 6.761 1.00 54.35 H new ATOM 0 HB1 ALA A 105 -7.332 -1.233 5.757 1.00 31.32 H new ATOM 0 HB2 ALA A 105 -7.010 0.437 6.283 1.00 31.32 H new ATOM 0 HB3 ALA A 105 -6.434 -0.931 7.265 1.00 31.32 H new ATOM 1681 N GLY A 106 -8.820 -2.294 9.132 1.00 5.44 N ATOM 1682 CA GLY A 106 -9.231 -3.585 9.700 1.00 34.00 C ATOM 1683 C GLY A 106 -8.203 -4.695 9.500 1.00 1.12 C ATOM 1684 O GLY A 106 -8.518 -5.877 9.678 1.00 31.54 O ATOM 0 H GLY A 106 -8.428 -1.648 9.817 1.00 5.44 H new ATOM 0 HA2 GLY A 106 -9.416 -3.461 10.767 1.00 34.00 H new ATOM 0 HA3 GLY A 106 -10.174 -3.889 9.246 1.00 34.00 H new ATOM 1688 N ILE A 107 -6.973 -4.304 9.125 1.00 71.51 N ATOM 1689 CA ILE A 107 -5.848 -5.236 8.887 1.00 11.12 C ATOM 1690 C ILE A 107 -5.113 -5.494 10.218 1.00 34.01 C ATOM 1691 O ILE A 107 -5.101 -4.612 11.088 1.00 34.55 O ATOM 1692 CB ILE A 107 -4.811 -4.630 7.861 1.00 34.20 C ATOM 1693 CG1 ILE A 107 -5.502 -3.863 6.706 1.00 35.24 C ATOM 1694 CG2 ILE A 107 -3.897 -5.728 7.272 1.00 75.51 C ATOM 1695 CD1 ILE A 107 -4.529 -3.089 5.832 1.00 23.11 C ATOM 0 H ILE A 107 -6.726 -3.326 8.976 1.00 71.51 H new ATOM 0 HA ILE A 107 -6.256 -6.160 8.478 1.00 11.12 H new ATOM 0 HB ILE A 107 -4.206 -3.921 8.426 1.00 34.20 H new ATOM 0 HG12 ILE A 107 -6.052 -4.571 6.086 1.00 35.24 H new ATOM 0 HG13 ILE A 107 -6.233 -3.171 7.125 1.00 35.24 H new ATOM 0 HG21 ILE A 107 -3.195 -5.279 6.570 1.00 75.51 H new ATOM 0 HG22 ILE A 107 -3.345 -6.212 8.077 1.00 75.51 H new ATOM 0 HG23 ILE A 107 -4.506 -6.468 6.753 1.00 75.51 H new ATOM 0 HD11 ILE A 107 -5.078 -2.575 5.043 1.00 23.11 H new ATOM 0 HD12 ILE A 107 -3.997 -2.357 6.440 1.00 23.11 H new ATOM 0 HD13 ILE A 107 -3.813 -3.779 5.385 1.00 23.11 H new ATOM 1707 N VAL A 108 -4.483 -6.675 10.362 1.00 30.45 N ATOM 1708 CA VAL A 108 -3.703 -7.012 11.565 1.00 54.50 C ATOM 1709 C VAL A 108 -2.468 -6.075 11.667 1.00 25.33 C ATOM 1710 O VAL A 108 -1.494 -6.230 10.906 1.00 52.32 O ATOM 1711 CB VAL A 108 -3.278 -8.529 11.561 1.00 51.43 C ATOM 1712 CG1 VAL A 108 -2.524 -8.920 12.854 1.00 72.14 C ATOM 1713 CG2 VAL A 108 -4.510 -9.439 11.328 1.00 21.51 C ATOM 0 H VAL A 108 -4.500 -7.413 9.658 1.00 30.45 H new ATOM 0 HA VAL A 108 -4.328 -6.859 12.445 1.00 54.50 H new ATOM 0 HB VAL A 108 -2.584 -8.677 10.734 1.00 51.43 H new ATOM 0 HG11 VAL A 108 -2.249 -9.974 12.810 1.00 72.14 H new ATOM 0 HG12 VAL A 108 -1.623 -8.314 12.947 1.00 72.14 H new ATOM 0 HG13 VAL A 108 -3.168 -8.748 13.717 1.00 72.14 H new ATOM 0 HG21 VAL A 108 -4.197 -10.483 11.328 1.00 21.51 H new ATOM 0 HG22 VAL A 108 -5.237 -9.278 12.124 1.00 21.51 H new ATOM 0 HG23 VAL A 108 -4.965 -9.197 10.367 1.00 21.51 H new ATOM 1723 N VAL A 109 -2.569 -5.081 12.589 1.00 44.34 N ATOM 1724 CA VAL A 109 -1.537 -4.045 12.824 1.00 3.13 C ATOM 1725 C VAL A 109 -0.137 -4.665 12.945 1.00 71.24 C ATOM 1726 O VAL A 109 0.767 -4.286 12.211 1.00 22.32 O ATOM 1727 CB VAL A 109 -1.848 -3.208 14.130 1.00 43.35 C ATOM 1728 CG1 VAL A 109 -0.742 -2.166 14.444 1.00 51.51 C ATOM 1729 CG2 VAL A 109 -3.232 -2.525 14.049 1.00 70.55 C ATOM 0 H VAL A 109 -3.382 -4.979 13.196 1.00 44.34 H new ATOM 0 HA VAL A 109 -1.558 -3.380 11.961 1.00 3.13 H new ATOM 0 HB VAL A 109 -1.865 -3.921 14.954 1.00 43.35 H new ATOM 0 HG11 VAL A 109 -1.004 -1.619 15.349 1.00 51.51 H new ATOM 0 HG12 VAL A 109 0.209 -2.678 14.592 1.00 51.51 H new ATOM 0 HG13 VAL A 109 -0.653 -1.468 13.611 1.00 51.51 H new ATOM 0 HG21 VAL A 109 -3.412 -1.959 14.963 1.00 70.55 H new ATOM 0 HG22 VAL A 109 -3.255 -1.850 13.193 1.00 70.55 H new ATOM 0 HG23 VAL A 109 -4.006 -3.284 13.934 1.00 70.55 H new ATOM 1739 N ASP A 110 -0.019 -5.675 13.829 1.00 34.01 N ATOM 1740 CA ASP A 110 1.264 -6.321 14.171 1.00 73.44 C ATOM 1741 C ASP A 110 1.961 -6.874 12.922 1.00 22.53 C ATOM 1742 O ASP A 110 3.150 -6.644 12.725 1.00 50.11 O ATOM 1743 CB ASP A 110 1.036 -7.462 15.208 1.00 54.35 C ATOM 1744 CG ASP A 110 2.346 -7.983 15.842 1.00 73.32 C ATOM 1745 OD1 ASP A 110 2.777 -7.428 16.884 1.00 52.11 O ATOM 1746 OD2 ASP A 110 2.952 -8.942 15.315 1.00 0.21 O ATOM 0 H ASP A 110 -0.816 -6.068 14.329 1.00 34.01 H new ATOM 0 HA ASP A 110 1.912 -5.563 14.611 1.00 73.44 H new ATOM 0 HB2 ASP A 110 0.377 -7.100 15.997 1.00 54.35 H new ATOM 0 HB3 ASP A 110 0.522 -8.290 14.720 1.00 54.35 H new ATOM 1751 N GLU A 111 1.172 -7.544 12.062 1.00 61.22 N ATOM 1752 CA GLU A 111 1.681 -8.235 10.868 1.00 52.13 C ATOM 1753 C GLU A 111 2.174 -7.260 9.782 1.00 12.05 C ATOM 1754 O GLU A 111 3.196 -7.528 9.141 1.00 11.53 O ATOM 1755 CB GLU A 111 0.603 -9.194 10.307 1.00 4.13 C ATOM 1756 CG GLU A 111 0.399 -10.478 11.131 1.00 14.55 C ATOM 1757 CD GLU A 111 1.629 -11.405 11.115 1.00 45.14 C ATOM 1758 OE1 GLU A 111 1.739 -12.245 10.196 1.00 41.24 O ATOM 1759 OE2 GLU A 111 2.497 -11.295 12.009 1.00 72.24 O ATOM 0 H GLU A 111 0.161 -7.620 12.178 1.00 61.22 H new ATOM 0 HA GLU A 111 2.550 -8.817 11.175 1.00 52.13 H new ATOM 0 HB2 GLU A 111 -0.345 -8.660 10.249 1.00 4.13 H new ATOM 0 HB3 GLU A 111 0.876 -9.471 9.289 1.00 4.13 H new ATOM 0 HG2 GLU A 111 0.167 -10.209 12.161 1.00 14.55 H new ATOM 0 HG3 GLU A 111 -0.463 -11.020 10.742 1.00 14.55 H new ATOM 1766 N LEU A 112 1.454 -6.134 9.557 1.00 12.01 N ATOM 1767 CA LEU A 112 1.916 -5.113 8.577 1.00 73.11 C ATOM 1768 C LEU A 112 3.038 -4.240 9.156 1.00 61.54 C ATOM 1769 O LEU A 112 3.824 -3.676 8.406 1.00 14.41 O ATOM 1770 CB LEU A 112 0.746 -4.265 8.001 1.00 34.32 C ATOM 1771 CG LEU A 112 -0.182 -3.507 9.012 1.00 22.42 C ATOM 1772 CD1 LEU A 112 0.443 -2.209 9.579 1.00 0.32 C ATOM 1773 CD2 LEU A 112 -1.542 -3.208 8.375 1.00 33.43 C ATOM 0 H LEU A 112 0.575 -5.910 10.024 1.00 12.01 H new ATOM 0 HA LEU A 112 2.337 -5.657 7.732 1.00 73.11 H new ATOM 0 HB2 LEU A 112 1.172 -3.527 7.321 1.00 34.32 H new ATOM 0 HB3 LEU A 112 0.118 -4.925 7.402 1.00 34.32 H new ATOM 0 HG LEU A 112 -0.313 -4.179 9.860 1.00 22.42 H new ATOM 0 HD11 LEU A 112 -0.257 -1.740 10.271 1.00 0.32 H new ATOM 0 HD12 LEU A 112 1.367 -2.450 10.105 1.00 0.32 H new ATOM 0 HD13 LEU A 112 0.660 -1.522 8.761 1.00 0.32 H new ATOM 0 HD21 LEU A 112 -2.172 -2.682 9.092 1.00 33.43 H new ATOM 0 HD22 LEU A 112 -1.401 -2.586 7.491 1.00 33.43 H new ATOM 0 HD23 LEU A 112 -2.023 -4.143 8.088 1.00 33.43 H new ATOM 1785 N VAL A 113 3.101 -4.142 10.499 1.00 22.30 N ATOM 1786 CA VAL A 113 4.213 -3.473 11.197 1.00 0.02 C ATOM 1787 C VAL A 113 5.494 -4.293 11.009 1.00 21.23 C ATOM 1788 O VAL A 113 6.557 -3.723 10.786 1.00 74.04 O ATOM 1789 CB VAL A 113 3.905 -3.226 12.731 1.00 41.14 C ATOM 1790 CG1 VAL A 113 5.178 -2.868 13.545 1.00 34.01 C ATOM 1791 CG2 VAL A 113 2.835 -2.117 12.902 1.00 11.02 C ATOM 0 H VAL A 113 2.389 -4.521 11.124 1.00 22.30 H new ATOM 0 HA VAL A 113 4.347 -2.485 10.756 1.00 0.02 H new ATOM 0 HB VAL A 113 3.520 -4.165 13.128 1.00 41.14 H new ATOM 0 HG11 VAL A 113 4.909 -2.709 14.589 1.00 34.01 H new ATOM 0 HG12 VAL A 113 5.896 -3.685 13.475 1.00 34.01 H new ATOM 0 HG13 VAL A 113 5.623 -1.958 13.143 1.00 34.01 H new ATOM 0 HG21 VAL A 113 2.638 -1.962 13.963 1.00 11.02 H new ATOM 0 HG22 VAL A 113 3.199 -1.189 12.462 1.00 11.02 H new ATOM 0 HG23 VAL A 113 1.915 -2.419 12.402 1.00 11.02 H new ATOM 1801 N GLN A 114 5.357 -5.639 11.051 1.00 10.14 N ATOM 1802 CA GLN A 114 6.465 -6.559 10.746 1.00 55.55 C ATOM 1803 C GLN A 114 6.892 -6.358 9.294 1.00 11.45 C ATOM 1804 O GLN A 114 8.039 -6.070 9.011 1.00 53.31 O ATOM 1805 CB GLN A 114 6.059 -8.042 10.976 1.00 43.12 C ATOM 1806 CG GLN A 114 5.733 -8.428 12.433 1.00 33.22 C ATOM 1807 CD GLN A 114 6.859 -8.108 13.412 1.00 35.52 C ATOM 1808 OE1 GLN A 114 7.752 -8.926 13.647 1.00 12.10 O ATOM 1809 NE2 GLN A 114 6.824 -6.916 13.993 1.00 52.33 N ATOM 0 H GLN A 114 4.485 -6.108 11.295 1.00 10.14 H new ATOM 0 HA GLN A 114 7.293 -6.336 11.418 1.00 55.55 H new ATOM 0 HB2 GLN A 114 5.188 -8.261 10.358 1.00 43.12 H new ATOM 0 HB3 GLN A 114 6.869 -8.680 10.623 1.00 43.12 H new ATOM 0 HG2 GLN A 114 4.830 -7.904 12.746 1.00 33.22 H new ATOM 0 HG3 GLN A 114 5.515 -9.495 12.478 1.00 33.22 H new ATOM 0 HE21 GLN A 114 6.070 -6.264 13.775 1.00 52.33 H new ATOM 0 HE22 GLN A 114 7.551 -6.651 14.658 1.00 52.33 H new ATOM 1818 N THR A 115 5.900 -6.442 8.405 1.00 70.12 N ATOM 1819 CA THR A 115 6.060 -6.280 6.963 1.00 30.02 C ATOM 1820 C THR A 115 6.790 -4.972 6.577 1.00 53.42 C ATOM 1821 O THR A 115 7.675 -5.000 5.726 1.00 73.42 O ATOM 1822 CB THR A 115 4.650 -6.399 6.285 1.00 74.14 C ATOM 1823 OG1 THR A 115 4.327 -7.790 6.086 1.00 64.44 O ATOM 1824 CG2 THR A 115 4.515 -5.632 4.963 1.00 23.41 C ATOM 0 H THR A 115 4.936 -6.630 8.679 1.00 70.12 H new ATOM 0 HA THR A 115 6.707 -7.075 6.593 1.00 30.02 H new ATOM 0 HB THR A 115 3.943 -5.930 6.969 1.00 74.14 H new ATOM 0 HG1 THR A 115 3.401 -7.870 5.776 1.00 64.44 H new ATOM 0 HG21 THR A 115 3.510 -5.769 4.564 1.00 23.41 H new ATOM 0 HG22 THR A 115 4.695 -4.571 5.138 1.00 23.41 H new ATOM 0 HG23 THR A 115 5.244 -6.010 4.247 1.00 23.41 H new ATOM 1832 N VAL A 116 6.441 -3.849 7.236 1.00 44.44 N ATOM 1833 CA VAL A 116 7.011 -2.525 6.918 1.00 64.10 C ATOM 1834 C VAL A 116 8.378 -2.314 7.602 1.00 53.41 C ATOM 1835 O VAL A 116 9.267 -1.748 6.990 1.00 23.15 O ATOM 1836 CB VAL A 116 5.998 -1.358 7.263 1.00 23.15 C ATOM 1837 CG1 VAL A 116 6.645 0.053 7.167 1.00 25.34 C ATOM 1838 CG2 VAL A 116 4.745 -1.437 6.348 1.00 34.35 C ATOM 0 H VAL A 116 5.762 -3.834 7.997 1.00 44.44 H new ATOM 0 HA VAL A 116 7.183 -2.497 5.842 1.00 64.10 H new ATOM 0 HB VAL A 116 5.700 -1.501 8.302 1.00 23.15 H new ATOM 0 HG11 VAL A 116 5.902 0.811 7.414 1.00 25.34 H new ATOM 0 HG12 VAL A 116 7.478 0.120 7.866 1.00 25.34 H new ATOM 0 HG13 VAL A 116 7.009 0.218 6.153 1.00 25.34 H new ATOM 0 HG21 VAL A 116 4.060 -0.628 6.599 1.00 34.35 H new ATOM 0 HG22 VAL A 116 5.049 -1.345 5.305 1.00 34.35 H new ATOM 0 HG23 VAL A 116 4.246 -2.394 6.497 1.00 34.35 H new ATOM 1848 N LYS A 117 8.574 -2.804 8.848 1.00 14.23 N ATOM 1849 CA LYS A 117 9.866 -2.604 9.569 1.00 53.03 C ATOM 1850 C LYS A 117 10.961 -3.529 8.998 1.00 23.32 C ATOM 1851 O LYS A 117 12.148 -3.185 9.007 1.00 24.35 O ATOM 1852 CB LYS A 117 9.729 -2.816 11.108 1.00 74.43 C ATOM 1853 CG LYS A 117 9.560 -4.287 11.573 1.00 12.33 C ATOM 1854 CD LYS A 117 9.438 -4.427 13.110 1.00 2.21 C ATOM 1855 CE LYS A 117 10.709 -3.976 13.858 1.00 52.15 C ATOM 1856 NZ LYS A 117 10.540 -4.061 15.338 1.00 31.01 N ATOM 0 H LYS A 117 7.874 -3.331 9.371 1.00 14.23 H new ATOM 0 HA LYS A 117 10.157 -1.566 9.409 1.00 53.03 H new ATOM 0 HB2 LYS A 117 10.612 -2.400 11.593 1.00 74.43 H new ATOM 0 HB3 LYS A 117 8.872 -2.242 11.460 1.00 74.43 H new ATOM 0 HG2 LYS A 117 8.672 -4.710 11.104 1.00 12.33 H new ATOM 0 HG3 LYS A 117 10.413 -4.871 11.227 1.00 12.33 H new ATOM 0 HD2 LYS A 117 8.590 -3.837 13.457 1.00 2.21 H new ATOM 0 HD3 LYS A 117 9.226 -5.467 13.359 1.00 2.21 H new ATOM 0 HE2 LYS A 117 11.551 -4.597 13.552 1.00 52.15 H new ATOM 0 HE3 LYS A 117 10.951 -2.951 13.578 1.00 52.15 H new ATOM 0 HZ1 LYS A 117 11.415 -3.750 15.806 1.00 31.01 H new ATOM 0 HZ2 LYS A 117 9.753 -3.449 15.633 1.00 31.01 H new ATOM 0 HZ3 LYS A 117 10.334 -5.044 15.608 1.00 31.01 H new ATOM 1870 N ASN A 118 10.534 -4.706 8.500 1.00 44.41 N ATOM 1871 CA ASN A 118 11.423 -5.690 7.860 1.00 11.34 C ATOM 1872 C ASN A 118 11.713 -5.256 6.424 1.00 14.12 C ATOM 1873 O ASN A 118 12.829 -5.439 5.945 1.00 30.22 O ATOM 1874 CB ASN A 118 10.818 -7.126 7.905 1.00 44.13 C ATOM 1875 CG ASN A 118 10.595 -7.640 9.346 1.00 70.12 C ATOM 1876 OD1 ASN A 118 11.306 -7.259 10.276 1.00 11.32 O ATOM 1877 ND2 ASN A 118 9.605 -8.506 9.543 1.00 60.20 N ATOM 0 H ASN A 118 9.558 -5.000 8.532 1.00 44.41 H new ATOM 0 HA ASN A 118 12.360 -5.726 8.416 1.00 11.34 H new ATOM 0 HB2 ASN A 118 9.867 -7.131 7.372 1.00 44.13 H new ATOM 0 HB3 ASN A 118 11.482 -7.811 7.379 1.00 44.13 H new ATOM 0 HD21 ASN A 118 9.423 -8.868 10.479 1.00 60.20 H new ATOM 0 HD22 ASN A 118 9.028 -8.808 8.758 1.00 60.20 H new ATOM 1884 N TYR A 119 10.697 -4.650 5.759 1.00 30.12 N ATOM 1885 CA TYR A 119 10.874 -4.018 4.436 1.00 72.11 C ATOM 1886 C TYR A 119 11.944 -2.929 4.535 1.00 43.12 C ATOM 1887 O TYR A 119 13.012 -3.062 3.951 1.00 53.00 O ATOM 1888 CB TYR A 119 9.534 -3.431 3.907 1.00 52.30 C ATOM 1889 CG TYR A 119 9.628 -2.578 2.620 1.00 63.24 C ATOM 1890 CD1 TYR A 119 10.006 -3.141 1.397 1.00 74.21 C ATOM 1891 CD2 TYR A 119 9.328 -1.210 2.636 1.00 1.21 C ATOM 1892 CE1 TYR A 119 10.086 -2.373 0.244 1.00 44.40 C ATOM 1893 CE2 TYR A 119 9.407 -0.445 1.487 1.00 71.32 C ATOM 1894 CZ TYR A 119 9.787 -1.027 0.294 1.00 74.53 C ATOM 1895 OH TYR A 119 9.857 -0.262 -0.858 1.00 0.50 O ATOM 0 H TYR A 119 9.746 -4.588 6.123 1.00 30.12 H new ATOM 0 HA TYR A 119 11.198 -4.777 3.724 1.00 72.11 H new ATOM 0 HB2 TYR A 119 8.847 -4.256 3.722 1.00 52.30 H new ATOM 0 HB3 TYR A 119 9.093 -2.819 4.694 1.00 52.30 H new ATOM 0 HD1 TYR A 119 10.240 -4.194 1.349 1.00 74.21 H new ATOM 0 HD2 TYR A 119 9.029 -0.744 3.563 1.00 1.21 H new ATOM 0 HE1 TYR A 119 10.382 -2.828 -0.690 1.00 44.40 H new ATOM 0 HE2 TYR A 119 9.171 0.608 1.523 1.00 71.32 H new ATOM 0 HH TYR A 119 9.901 0.687 -0.618 1.00 0.50 H new ATOM 1905 N GLN A 120 11.654 -1.908 5.367 1.00 33.24 N ATOM 1906 CA GLN A 120 12.536 -0.753 5.610 1.00 21.03 C ATOM 1907 C GLN A 120 13.920 -1.190 6.129 1.00 54.42 C ATOM 1908 O GLN A 120 14.932 -0.525 5.853 1.00 55.11 O ATOM 1909 CB GLN A 120 11.869 0.225 6.619 1.00 53.44 C ATOM 1910 CG GLN A 120 10.601 0.940 6.085 1.00 60.54 C ATOM 1911 CD GLN A 120 9.997 1.959 7.062 1.00 2.25 C ATOM 1912 OE1 GLN A 120 9.466 3.059 6.530 1.00 2.12 O flip ATOM 1913 NE2 GLN A 120 10.034 1.778 8.280 1.00 71.25 N flip ATOM 0 H GLN A 120 10.784 -1.864 5.897 1.00 33.24 H new ATOM 0 HA GLN A 120 12.686 -0.244 4.658 1.00 21.03 H new ATOM 0 HB2 GLN A 120 11.605 -0.328 7.520 1.00 53.44 H new ATOM 0 HB3 GLN A 120 12.600 0.979 6.910 1.00 53.44 H new ATOM 0 HG2 GLN A 120 10.849 1.449 5.154 1.00 60.54 H new ATOM 0 HG3 GLN A 120 9.847 0.190 5.847 1.00 60.54 H new ATOM 0 HE21 GLN A 120 10.447 0.925 8.656 1.00 71.25 H new ATOM 0 HE22 GLN A 120 9.651 2.481 8.912 1.00 71.25 H new ATOM 1922 N GLY A 121 13.946 -2.333 6.840 1.00 3.02 N ATOM 1923 CA GLY A 121 15.178 -2.898 7.369 1.00 55.12 C ATOM 1924 C GLY A 121 16.071 -3.434 6.265 1.00 32.51 C ATOM 1925 O GLY A 121 17.258 -3.115 6.207 1.00 43.24 O ATOM 0 H GLY A 121 13.113 -2.880 7.057 1.00 3.02 H new ATOM 0 HA2 GLY A 121 15.715 -2.135 7.933 1.00 55.12 H new ATOM 0 HA3 GLY A 121 14.940 -3.701 8.066 1.00 55.12 H new ATOM 1929 N TYR A 122 15.477 -4.211 5.336 1.00 14.40 N ATOM 1930 CA TYR A 122 16.225 -4.822 4.229 1.00 35.21 C ATOM 1931 C TYR A 122 16.498 -3.818 3.085 1.00 33.14 C ATOM 1932 O TYR A 122 17.347 -4.085 2.222 1.00 23.34 O ATOM 1933 CB TYR A 122 15.603 -6.181 3.768 1.00 20.20 C ATOM 1934 CG TYR A 122 14.214 -6.239 3.088 1.00 34.24 C ATOM 1935 CD1 TYR A 122 13.877 -5.437 1.994 1.00 74.30 C ATOM 1936 CD2 TYR A 122 13.265 -7.187 3.502 1.00 44.23 C ATOM 1937 CE1 TYR A 122 12.654 -5.561 1.363 1.00 61.21 C ATOM 1938 CE2 TYR A 122 12.049 -7.320 2.860 1.00 63.12 C ATOM 1939 CZ TYR A 122 11.749 -6.505 1.795 1.00 41.21 C ATOM 1940 OH TYR A 122 10.536 -6.638 1.149 1.00 75.12 O ATOM 0 H TYR A 122 14.480 -4.428 5.335 1.00 14.40 H new ATOM 0 HA TYR A 122 17.212 -5.087 4.609 1.00 35.21 H new ATOM 0 HB2 TYR A 122 16.313 -6.638 3.079 1.00 20.20 H new ATOM 0 HB3 TYR A 122 15.553 -6.823 4.648 1.00 20.20 H new ATOM 0 HD1 TYR A 122 14.586 -4.706 1.635 1.00 74.30 H new ATOM 0 HD2 TYR A 122 13.491 -7.827 4.342 1.00 44.23 H new ATOM 0 HE1 TYR A 122 12.408 -4.918 0.531 1.00 61.21 H new ATOM 0 HE2 TYR A 122 11.338 -8.061 3.194 1.00 63.12 H new ATOM 0 HH TYR A 122 10.014 -7.349 1.576 1.00 75.12 H new ATOM 1950 N VAL A 123 15.759 -2.674 3.078 1.00 35.33 N ATOM 1951 CA VAL A 123 16.037 -1.542 2.167 1.00 2.13 C ATOM 1952 C VAL A 123 17.452 -0.995 2.438 1.00 14.11 C ATOM 1953 O VAL A 123 18.295 -0.945 1.534 1.00 21.00 O ATOM 1954 CB VAL A 123 14.993 -0.358 2.333 1.00 45.22 C ATOM 1955 CG1 VAL A 123 15.434 0.913 1.561 1.00 71.50 C ATOM 1956 CG2 VAL A 123 13.566 -0.770 1.899 1.00 32.44 C ATOM 0 H VAL A 123 14.964 -2.517 3.698 1.00 35.33 H new ATOM 0 HA VAL A 123 15.955 -1.923 1.149 1.00 2.13 H new ATOM 0 HB VAL A 123 14.969 -0.125 3.398 1.00 45.22 H new ATOM 0 HG11 VAL A 123 14.692 1.699 1.701 1.00 71.50 H new ATOM 0 HG12 VAL A 123 16.398 1.252 1.939 1.00 71.50 H new ATOM 0 HG13 VAL A 123 15.522 0.682 0.499 1.00 71.50 H new ATOM 0 HG21 VAL A 123 12.888 0.073 2.031 1.00 32.44 H new ATOM 0 HG22 VAL A 123 13.576 -1.067 0.850 1.00 32.44 H new ATOM 0 HG23 VAL A 123 13.227 -1.607 2.510 1.00 32.44 H new ATOM 1966 N GLN A 124 17.690 -0.609 3.708 1.00 74.45 N ATOM 1967 CA GLN A 124 18.957 0.013 4.139 1.00 60.05 C ATOM 1968 C GLN A 124 20.122 -0.999 4.166 1.00 62.34 C ATOM 1969 O GLN A 124 21.285 -0.594 4.089 1.00 60.33 O ATOM 1970 CB GLN A 124 18.783 0.718 5.512 1.00 14.22 C ATOM 1971 CG GLN A 124 18.217 -0.179 6.623 1.00 74.44 C ATOM 1972 CD GLN A 124 18.192 0.459 8.011 1.00 12.35 C ATOM 1973 OE1 GLN A 124 18.076 1.678 8.156 1.00 64.21 O ATOM 1974 NE2 GLN A 124 18.286 -0.363 9.046 1.00 53.14 N ATOM 0 H GLN A 124 17.011 -0.720 4.461 1.00 74.45 H new ATOM 0 HA GLN A 124 19.219 0.770 3.399 1.00 60.05 H new ATOM 0 HB2 GLN A 124 19.750 1.105 5.833 1.00 14.22 H new ATOM 0 HB3 GLN A 124 18.123 1.576 5.384 1.00 14.22 H new ATOM 0 HG2 GLN A 124 17.202 -0.470 6.354 1.00 74.44 H new ATOM 0 HG3 GLN A 124 18.809 -1.093 6.669 1.00 74.44 H new ATOM 0 HE21 GLN A 124 18.381 -1.367 8.893 1.00 53.14 H new ATOM 0 HE22 GLN A 124 18.263 0.008 9.996 1.00 53.14 H new ATOM 1983 N ASP A 125 19.812 -2.306 4.280 1.00 34.50 N ATOM 1984 CA ASP A 125 20.826 -3.378 4.102 1.00 60.01 C ATOM 1985 C ASP A 125 21.164 -3.562 2.610 1.00 33.03 C ATOM 1986 O ASP A 125 22.275 -3.979 2.264 1.00 4.54 O ATOM 1987 CB ASP A 125 20.318 -4.728 4.677 1.00 22.21 C ATOM 1988 CG ASP A 125 20.354 -4.820 6.214 1.00 41.24 C ATOM 1989 OD1 ASP A 125 21.459 -4.805 6.793 1.00 44.44 O ATOM 1990 OD2 ASP A 125 19.289 -4.965 6.849 1.00 14.13 O ATOM 0 H ASP A 125 18.875 -2.649 4.493 1.00 34.50 H new ATOM 0 HA ASP A 125 21.722 -3.075 4.644 1.00 60.01 H new ATOM 0 HB2 ASP A 125 19.294 -4.890 4.340 1.00 22.21 H new ATOM 0 HB3 ASP A 125 20.922 -5.535 4.263 1.00 22.21 H new ATOM 1995 N GLY A 126 20.204 -3.209 1.743 1.00 11.45 N ATOM 1996 CA GLY A 126 20.361 -3.350 0.301 1.00 32.54 C ATOM 1997 C GLY A 126 20.276 -4.795 -0.183 1.00 21.24 C ATOM 1998 O GLY A 126 21.059 -5.208 -1.051 1.00 2.54 O ATOM 0 H GLY A 126 19.304 -2.821 2.026 1.00 11.45 H new ATOM 0 HA2 GLY A 126 19.592 -2.762 -0.199 1.00 32.54 H new ATOM 0 HA3 GLY A 126 21.324 -2.933 0.006 1.00 32.54 H new ATOM 2002 N HIS A 127 19.309 -5.552 0.366 1.00 65.24 N ATOM 2003 CA HIS A 127 19.078 -6.965 0.001 1.00 42.43 C ATOM 2004 C HIS A 127 17.726 -7.432 0.562 1.00 51.54 C ATOM 2005 O HIS A 127 17.558 -7.450 1.776 1.00 12.14 O ATOM 2006 CB HIS A 127 20.227 -7.876 0.538 1.00 60.21 C ATOM 2007 CG HIS A 127 20.035 -9.354 0.271 1.00 52.14 C ATOM 2008 ND1 HIS A 127 20.462 -9.966 -0.885 1.00 20.00 N ATOM 2009 CD2 HIS A 127 19.468 -10.340 1.022 1.00 71.34 C ATOM 2010 CE1 HIS A 127 20.177 -11.249 -0.835 1.00 23.34 C ATOM 2011 NE2 HIS A 127 19.578 -11.501 0.308 1.00 70.23 N ATOM 0 H HIS A 127 18.665 -5.203 1.075 1.00 65.24 H new ATOM 0 HA HIS A 127 19.064 -7.043 -1.086 1.00 42.43 H new ATOM 0 HB2 HIS A 127 21.167 -7.558 0.087 1.00 60.21 H new ATOM 0 HB3 HIS A 127 20.322 -7.723 1.613 1.00 60.21 H new ATOM 0 HD2 HIS A 127 19.017 -10.226 1.997 1.00 71.34 H new ATOM 0 HE1 HIS A 127 20.398 -11.974 -1.604 1.00 23.34 H new ATOM 0 HE2 HIS A 127 19.248 -12.417 0.613 1.00 70.23 H new ATOM 2020 N ASP A 128 16.793 -7.857 -0.324 1.00 71.00 N ATOM 2021 CA ASP A 128 15.439 -8.310 0.086 1.00 35.30 C ATOM 2022 C ASP A 128 15.486 -9.690 0.783 1.00 42.42 C ATOM 2023 O ASP A 128 16.491 -10.402 0.716 1.00 4.11 O ATOM 2024 CB ASP A 128 14.470 -8.358 -1.132 1.00 22.40 C ATOM 2025 CG ASP A 128 14.717 -9.555 -2.083 1.00 3.43 C ATOM 2026 OD1 ASP A 128 15.596 -9.455 -2.961 1.00 43.13 O ATOM 2027 OD2 ASP A 128 14.032 -10.602 -1.939 1.00 74.23 O ATOM 0 H ASP A 128 16.953 -7.896 -1.331 1.00 71.00 H new ATOM 0 HA ASP A 128 15.062 -7.581 0.803 1.00 35.30 H new ATOM 0 HB2 ASP A 128 13.444 -8.403 -0.766 1.00 22.40 H new ATOM 0 HB3 ASP A 128 14.567 -7.431 -1.698 1.00 22.40 H new ATOM 2032 N HIS A 129 14.371 -10.083 1.421 1.00 22.21 N ATOM 2033 CA HIS A 129 14.280 -11.347 2.199 1.00 34.32 C ATOM 2034 C HIS A 129 13.082 -12.212 1.754 1.00 74.33 C ATOM 2035 O HIS A 129 12.844 -13.277 2.352 1.00 31.52 O ATOM 2036 CB HIS A 129 14.186 -11.024 3.723 1.00 55.50 C ATOM 2037 CG HIS A 129 15.506 -10.778 4.408 1.00 52.21 C ATOM 2038 ND1 HIS A 129 16.015 -11.620 5.372 1.00 42.45 N ATOM 2039 CD2 HIS A 129 16.396 -9.763 4.301 1.00 53.22 C ATOM 2040 CE1 HIS A 129 17.148 -11.134 5.824 1.00 10.14 C ATOM 2041 NE2 HIS A 129 17.405 -10.009 5.193 1.00 43.25 N ATOM 0 H HIS A 129 13.506 -9.542 1.417 1.00 22.21 H new ATOM 0 HA HIS A 129 15.184 -11.926 2.007 1.00 34.32 H new ATOM 0 HB2 HIS A 129 13.557 -10.143 3.854 1.00 55.50 H new ATOM 0 HB3 HIS A 129 13.683 -11.852 4.223 1.00 55.50 H new ATOM 0 HD2 HIS A 129 16.323 -8.916 3.635 1.00 53.22 H new ATOM 0 HE1 HIS A 129 17.766 -11.583 6.587 1.00 10.14 H new ATOM 0 HE2 HIS A 129 18.222 -9.417 5.344 1.00 43.25 H new ATOM 2050 N ASP A 130 12.344 -11.764 0.712 1.00 35.04 N ATOM 2051 CA ASP A 130 11.127 -12.456 0.226 1.00 52.54 C ATOM 2052 C ASP A 130 10.677 -11.886 -1.131 1.00 11.52 C ATOM 2053 O ASP A 130 9.955 -10.891 -1.185 1.00 11.41 O ATOM 2054 CB ASP A 130 9.967 -12.398 1.277 1.00 61.53 C ATOM 2055 CG ASP A 130 9.542 -10.968 1.704 1.00 41.12 C ATOM 2056 OD1 ASP A 130 10.337 -10.273 2.385 1.00 63.10 O ATOM 2057 OD2 ASP A 130 8.410 -10.543 1.382 1.00 44.04 O ATOM 0 H ASP A 130 12.573 -10.919 0.188 1.00 35.04 H new ATOM 0 HA ASP A 130 11.381 -13.507 0.085 1.00 52.54 H new ATOM 0 HB2 ASP A 130 9.098 -12.912 0.866 1.00 61.53 H new ATOM 0 HB3 ASP A 130 10.273 -12.951 2.165 1.00 61.53 H new ATOM 2062 N PHE A 131 11.166 -12.523 -2.235 1.00 44.31 N ATOM 2063 CA PHE A 131 10.793 -12.224 -3.655 1.00 42.04 C ATOM 2064 C PHE A 131 10.746 -10.722 -4.016 1.00 74.11 C ATOM 2065 O PHE A 131 10.107 -10.353 -5.012 1.00 30.31 O ATOM 2066 CB PHE A 131 9.458 -12.949 -4.080 1.00 72.22 C ATOM 2067 CG PHE A 131 8.205 -12.662 -3.241 1.00 2.33 C ATOM 2068 CD1 PHE A 131 7.445 -11.505 -3.446 1.00 75.42 C ATOM 2069 CD2 PHE A 131 7.791 -13.552 -2.244 1.00 13.32 C ATOM 2070 CE1 PHE A 131 6.323 -11.251 -2.684 1.00 20.13 C ATOM 2071 CE2 PHE A 131 6.669 -13.292 -1.484 1.00 31.33 C ATOM 2072 CZ PHE A 131 5.938 -12.141 -1.704 1.00 11.11 C ATOM 0 H PHE A 131 11.848 -13.278 -2.162 1.00 44.31 H new ATOM 0 HA PHE A 131 11.617 -12.634 -4.239 1.00 42.04 H new ATOM 0 HB2 PHE A 131 9.241 -12.679 -5.114 1.00 72.22 H new ATOM 0 HB3 PHE A 131 9.637 -14.024 -4.062 1.00 72.22 H new ATOM 0 HD1 PHE A 131 7.740 -10.802 -4.211 1.00 75.42 H new ATOM 0 HD2 PHE A 131 8.357 -14.455 -2.067 1.00 13.32 H new ATOM 0 HE1 PHE A 131 5.746 -10.354 -2.855 1.00 20.13 H new ATOM 0 HE2 PHE A 131 6.363 -13.988 -0.717 1.00 31.33 H new ATOM 0 HZ PHE A 131 5.062 -11.937 -1.106 1.00 11.11 H new ATOM 2082 N GLY A 132 11.464 -9.885 -3.242 1.00 42.22 N ATOM 2083 CA GLY A 132 11.411 -8.434 -3.373 1.00 21.24 C ATOM 2084 C GLY A 132 12.094 -7.932 -4.638 1.00 33.14 C ATOM 2085 O GLY A 132 11.670 -8.278 -5.745 1.00 64.34 O ATOM 0 H GLY A 132 12.096 -10.207 -2.509 1.00 42.22 H new ATOM 0 HA2 GLY A 132 10.370 -8.111 -3.375 1.00 21.24 H new ATOM 0 HA3 GLY A 132 11.885 -7.977 -2.504 1.00 21.24 H new ATOM 2089 N ARG A 133 13.145 -7.119 -4.488 1.00 3.22 N ATOM 2090 CA ARG A 133 13.821 -6.478 -5.634 1.00 25.12 C ATOM 2091 C ARG A 133 15.111 -5.789 -5.188 1.00 62.20 C ATOM 2092 O ARG A 133 15.494 -5.877 -4.018 1.00 4.43 O ATOM 2093 CB ARG A 133 12.848 -5.495 -6.367 1.00 4.04 C ATOM 2094 CG ARG A 133 12.199 -4.391 -5.488 1.00 2.31 C ATOM 2095 CD ARG A 133 10.933 -3.792 -6.149 1.00 60.50 C ATOM 2096 NE ARG A 133 10.488 -2.528 -5.519 1.00 14.11 N ATOM 2097 CZ ARG A 133 9.416 -1.802 -5.916 1.00 53.23 C ATOM 2098 NH1 ARG A 133 8.654 -2.213 -6.924 1.00 4.13 N ATOM 2099 NH2 ARG A 133 9.148 -0.636 -5.336 1.00 72.51 N ATOM 0 H ARG A 133 13.552 -6.885 -3.582 1.00 3.22 H new ATOM 0 HA ARG A 133 14.103 -7.249 -6.351 1.00 25.12 H new ATOM 0 HB2 ARG A 133 13.395 -5.011 -7.176 1.00 4.04 H new ATOM 0 HB3 ARG A 133 12.051 -6.080 -6.826 1.00 4.04 H new ATOM 0 HG2 ARG A 133 11.937 -4.809 -4.516 1.00 2.31 H new ATOM 0 HG3 ARG A 133 12.924 -3.597 -5.309 1.00 2.31 H new ATOM 0 HD2 ARG A 133 11.133 -3.613 -7.205 1.00 60.50 H new ATOM 0 HD3 ARG A 133 10.124 -4.521 -6.097 1.00 60.50 H new ATOM 0 HE ARG A 133 11.029 -2.178 -4.728 1.00 14.11 H new ATOM 0 HH11 ARG A 133 8.874 -3.084 -7.408 1.00 4.13 H new ATOM 0 HH12 ARG A 133 7.849 -1.658 -7.214 1.00 4.13 H new ATOM 0 HH21 ARG A 133 9.750 -0.287 -4.591 1.00 72.51 H new ATOM 0 HH22 ARG A 133 8.340 -0.091 -5.636 1.00 72.51 H new ATOM 2113 N ASP A 134 15.786 -5.133 -6.153 1.00 14.00 N ATOM 2114 CA ASP A 134 17.079 -4.467 -5.927 1.00 14.31 C ATOM 2115 C ASP A 134 16.920 -3.255 -4.972 1.00 53.35 C ATOM 2116 O ASP A 134 15.876 -2.602 -5.005 1.00 14.31 O ATOM 2117 CB ASP A 134 17.682 -4.016 -7.289 1.00 15.15 C ATOM 2118 CG ASP A 134 19.148 -3.551 -7.186 1.00 24.30 C ATOM 2119 OD1 ASP A 134 19.394 -2.363 -6.885 1.00 22.44 O ATOM 2120 OD2 ASP A 134 20.062 -4.378 -7.387 1.00 5.55 O ATOM 0 H ASP A 134 15.447 -5.051 -7.112 1.00 14.00 H new ATOM 0 HA ASP A 134 17.759 -5.176 -5.454 1.00 14.31 H new ATOM 0 HB2 ASP A 134 17.620 -4.843 -7.997 1.00 15.15 H new ATOM 0 HB3 ASP A 134 17.079 -3.204 -7.694 1.00 15.15 H new ATOM 2125 N PRO A 135 17.924 -2.991 -4.066 1.00 5.01 N ATOM 2126 CA PRO A 135 18.025 -1.761 -3.224 1.00 30.44 C ATOM 2127 C PRO A 135 17.571 -0.435 -3.889 1.00 12.44 C ATOM 2128 O PRO A 135 17.006 0.418 -3.211 1.00 71.10 O ATOM 2129 CB PRO A 135 19.544 -1.712 -2.869 1.00 14.13 C ATOM 2130 CG PRO A 135 20.160 -2.938 -3.500 1.00 64.33 C ATOM 2131 CD PRO A 135 19.030 -3.911 -3.696 1.00 53.01 C ATOM 0 HA PRO A 135 17.345 -1.831 -2.375 1.00 30.44 H new ATOM 0 HB2 PRO A 135 20.005 -0.802 -3.253 1.00 14.13 H new ATOM 0 HB3 PRO A 135 19.692 -1.713 -1.789 1.00 14.13 H new ATOM 0 HG2 PRO A 135 20.633 -2.692 -4.451 1.00 64.33 H new ATOM 0 HG3 PRO A 135 20.933 -3.361 -2.859 1.00 64.33 H new ATOM 0 HD2 PRO A 135 19.242 -4.637 -4.481 1.00 53.01 H new ATOM 0 HD3 PRO A 135 18.811 -4.476 -2.790 1.00 53.01 H new ATOM 2139 N LYS A 136 17.837 -0.261 -5.201 1.00 33.31 N ATOM 2140 CA LYS A 136 17.492 0.994 -5.924 1.00 72.30 C ATOM 2141 C LYS A 136 15.964 1.144 -6.107 1.00 4.35 C ATOM 2142 O LYS A 136 15.460 2.252 -6.313 1.00 33.44 O ATOM 2143 CB LYS A 136 18.209 1.051 -7.299 1.00 13.21 C ATOM 2144 CG LYS A 136 17.643 0.091 -8.367 1.00 75.41 C ATOM 2145 CD LYS A 136 18.427 0.132 -9.696 1.00 50.25 C ATOM 2146 CE LYS A 136 19.855 -0.420 -9.561 1.00 10.40 C ATOM 2147 NZ LYS A 136 20.633 -0.265 -10.821 1.00 35.42 N ATOM 0 H LYS A 136 18.287 -0.967 -5.784 1.00 33.31 H new ATOM 0 HA LYS A 136 17.838 1.828 -5.314 1.00 72.30 H new ATOM 0 HB2 LYS A 136 18.151 2.070 -7.681 1.00 13.21 H new ATOM 0 HB3 LYS A 136 19.265 0.825 -7.151 1.00 13.21 H new ATOM 0 HG2 LYS A 136 17.656 -0.926 -7.976 1.00 75.41 H new ATOM 0 HG3 LYS A 136 16.601 0.345 -8.559 1.00 75.41 H new ATOM 0 HD2 LYS A 136 17.889 -0.445 -10.448 1.00 50.25 H new ATOM 0 HD3 LYS A 136 18.472 1.160 -10.055 1.00 50.25 H new ATOM 0 HE2 LYS A 136 20.369 0.098 -8.751 1.00 10.40 H new ATOM 0 HE3 LYS A 136 19.812 -1.475 -9.289 1.00 10.40 H new ATOM 0 HZ1 LYS A 136 21.590 -0.650 -10.688 1.00 35.42 H new ATOM 0 HZ2 LYS A 136 20.157 -0.780 -11.589 1.00 35.42 H new ATOM 0 HZ3 LYS A 136 20.696 0.743 -11.068 1.00 35.42 H new ATOM 2161 N TYR A 137 15.247 0.009 -6.059 1.00 51.42 N ATOM 2162 CA TYR A 137 13.774 -0.037 -6.126 1.00 41.21 C ATOM 2163 C TYR A 137 13.167 -0.154 -4.707 1.00 30.40 C ATOM 2164 O TYR A 137 11.988 0.152 -4.498 1.00 15.31 O ATOM 2165 CB TYR A 137 13.326 -1.233 -7.003 1.00 64.45 C ATOM 2166 CG TYR A 137 13.965 -1.287 -8.400 1.00 51.10 C ATOM 2167 CD1 TYR A 137 13.732 -0.281 -9.334 1.00 72.32 C ATOM 2168 CD2 TYR A 137 14.812 -2.337 -8.778 1.00 11.33 C ATOM 2169 CE1 TYR A 137 14.308 -0.314 -10.589 1.00 14.14 C ATOM 2170 CE2 TYR A 137 15.395 -2.374 -10.035 1.00 1.33 C ATOM 2171 CZ TYR A 137 15.138 -1.359 -10.935 1.00 11.44 C ATOM 2172 OH TYR A 137 15.721 -1.383 -12.188 1.00 3.44 O ATOM 0 H TYR A 137 15.676 -0.912 -5.972 1.00 51.42 H new ATOM 0 HA TYR A 137 13.414 0.889 -6.575 1.00 41.21 H new ATOM 0 HB2 TYR A 137 13.560 -2.158 -6.477 1.00 64.45 H new ATOM 0 HB3 TYR A 137 12.243 -1.196 -7.116 1.00 64.45 H new ATOM 0 HD1 TYR A 137 13.086 0.544 -9.071 1.00 72.32 H new ATOM 0 HD2 TYR A 137 15.015 -3.133 -8.077 1.00 11.33 H new ATOM 0 HE1 TYR A 137 14.109 0.477 -11.297 1.00 14.14 H new ATOM 0 HE2 TYR A 137 16.046 -3.191 -10.309 1.00 1.33 H new ATOM 0 HH TYR A 137 16.278 -2.185 -12.274 1.00 3.44 H new ATOM 2182 N LEU A 138 13.979 -0.657 -3.755 1.00 4.12 N ATOM 2183 CA LEU A 138 13.623 -0.719 -2.321 1.00 25.11 C ATOM 2184 C LEU A 138 13.796 0.677 -1.684 1.00 33.14 C ATOM 2185 O LEU A 138 14.905 1.204 -1.674 1.00 51.30 O ATOM 2186 CB LEU A 138 14.551 -1.729 -1.574 1.00 11.12 C ATOM 2187 CG LEU A 138 14.523 -3.220 -2.028 1.00 41.41 C ATOM 2188 CD1 LEU A 138 15.600 -4.039 -1.267 1.00 1.11 C ATOM 2189 CD2 LEU A 138 13.115 -3.835 -1.869 1.00 20.40 C ATOM 0 H LEU A 138 14.905 -1.034 -3.959 1.00 4.12 H new ATOM 0 HA LEU A 138 12.587 -1.046 -2.235 1.00 25.11 H new ATOM 0 HB2 LEU A 138 15.576 -1.371 -1.665 1.00 11.12 H new ATOM 0 HB3 LEU A 138 14.295 -1.697 -0.515 1.00 11.12 H new ATOM 0 HG LEU A 138 14.763 -3.257 -3.091 1.00 41.41 H new ATOM 0 HD11 LEU A 138 15.567 -5.078 -1.596 1.00 1.11 H new ATOM 0 HD12 LEU A 138 16.586 -3.624 -1.474 1.00 1.11 H new ATOM 0 HD13 LEU A 138 15.404 -3.991 -0.196 1.00 1.11 H new ATOM 0 HD21 LEU A 138 13.133 -4.875 -2.195 1.00 20.40 H new ATOM 0 HD22 LEU A 138 12.813 -3.788 -0.823 1.00 20.40 H new ATOM 0 HD23 LEU A 138 12.403 -3.277 -2.477 1.00 20.40 H new ATOM 2201 N HIS A 139 12.720 1.261 -1.135 1.00 24.32 N ATOM 2202 CA HIS A 139 12.786 2.594 -0.492 1.00 70.43 C ATOM 2203 C HIS A 139 11.819 2.653 0.693 1.00 21.04 C ATOM 2204 O HIS A 139 10.651 2.277 0.550 1.00 21.24 O ATOM 2205 CB HIS A 139 12.449 3.705 -1.519 1.00 3.13 C ATOM 2206 CG HIS A 139 12.636 5.112 -1.003 1.00 65.41 C ATOM 2207 ND1 HIS A 139 11.612 6.030 -0.924 1.00 43.11 N ATOM 2208 CD2 HIS A 139 13.745 5.756 -0.560 1.00 52.31 C ATOM 2209 CE1 HIS A 139 12.080 7.167 -0.460 1.00 65.31 C ATOM 2210 NE2 HIS A 139 13.369 7.028 -0.229 1.00 44.12 N ATOM 0 H HIS A 139 11.793 0.837 -1.120 1.00 24.32 H new ATOM 0 HA HIS A 139 13.800 2.758 -0.126 1.00 70.43 H new ATOM 0 HB2 HIS A 139 13.075 3.569 -2.401 1.00 3.13 H new ATOM 0 HB3 HIS A 139 11.414 3.584 -1.840 1.00 3.13 H new ATOM 0 HD2 HIS A 139 14.739 5.341 -0.483 1.00 52.31 H new ATOM 0 HE1 HIS A 139 11.504 8.065 -0.296 1.00 65.31 H new ATOM 0 HE2 HIS A 139 13.987 7.752 0.138 1.00 44.12 H new ATOM 2219 N GLN A 140 12.309 3.134 1.852 1.00 61.12 N ATOM 2220 CA GLN A 140 11.485 3.285 3.065 1.00 41.22 C ATOM 2221 C GLN A 140 10.367 4.322 2.837 1.00 25.55 C ATOM 2222 O GLN A 140 10.597 5.340 2.168 1.00 11.32 O ATOM 2223 CB GLN A 140 12.354 3.712 4.287 1.00 23.35 C ATOM 2224 CG GLN A 140 13.530 2.754 4.642 1.00 11.23 C ATOM 2225 CD GLN A 140 14.915 3.195 4.160 1.00 71.14 C ATOM 2226 OE1 GLN A 140 15.055 3.885 3.153 1.00 73.25 O ATOM 2227 NE2 GLN A 140 15.950 2.752 4.863 1.00 13.41 N ATOM 0 H GLN A 140 13.279 3.426 1.973 1.00 61.12 H new ATOM 0 HA GLN A 140 11.036 2.315 3.280 1.00 41.22 H new ATOM 0 HB2 GLN A 140 12.763 4.703 4.091 1.00 23.35 H new ATOM 0 HB3 GLN A 140 11.705 3.801 5.158 1.00 23.35 H new ATOM 0 HG2 GLN A 140 13.563 2.635 5.725 1.00 11.23 H new ATOM 0 HG3 GLN A 140 13.314 1.772 4.220 1.00 11.23 H new ATOM 0 HE21 GLN A 140 15.795 2.181 5.694 1.00 13.41 H new ATOM 0 HE22 GLN A 140 16.900 2.982 4.572 1.00 13.41 H new ATOM 2236 N PHE A 141 9.155 4.044 3.375 1.00 45.34 N ATOM 2237 CA PHE A 141 8.031 4.995 3.327 1.00 43.11 C ATOM 2238 C PHE A 141 8.344 6.181 4.257 1.00 14.33 C ATOM 2239 O PHE A 141 8.062 6.135 5.461 1.00 65.03 O ATOM 2240 CB PHE A 141 6.693 4.325 3.749 1.00 31.42 C ATOM 2241 CG PHE A 141 6.368 3.020 3.029 1.00 3.22 C ATOM 2242 CD1 PHE A 141 6.003 3.014 1.686 1.00 5.40 C ATOM 2243 CD2 PHE A 141 6.412 1.799 3.709 1.00 74.44 C ATOM 2244 CE1 PHE A 141 5.691 1.829 1.047 1.00 23.30 C ATOM 2245 CE2 PHE A 141 6.101 0.621 3.071 1.00 3.12 C ATOM 2246 CZ PHE A 141 5.742 0.635 1.737 1.00 11.14 C ATOM 0 H PHE A 141 8.936 3.166 3.847 1.00 45.34 H new ATOM 0 HA PHE A 141 7.911 5.341 2.300 1.00 43.11 H new ATOM 0 HB2 PHE A 141 6.723 4.132 4.821 1.00 31.42 H new ATOM 0 HB3 PHE A 141 5.880 5.030 3.575 1.00 31.42 H new ATOM 0 HD1 PHE A 141 5.963 3.944 1.138 1.00 5.40 H new ATOM 0 HD2 PHE A 141 6.695 1.781 4.751 1.00 74.44 H new ATOM 0 HE1 PHE A 141 5.407 1.837 0.005 1.00 23.30 H new ATOM 0 HE2 PHE A 141 6.137 -0.313 3.612 1.00 3.12 H new ATOM 0 HZ PHE A 141 5.501 -0.290 1.234 1.00 11.14 H new ATOM 2256 N GLU A 142 8.996 7.204 3.693 1.00 0.12 N ATOM 2257 CA GLU A 142 9.420 8.397 4.436 1.00 33.01 C ATOM 2258 C GLU A 142 8.565 9.591 4.014 1.00 44.40 C ATOM 2259 O GLU A 142 8.272 9.772 2.825 1.00 22.23 O ATOM 2260 CB GLU A 142 10.927 8.678 4.194 1.00 74.40 C ATOM 2261 CG GLU A 142 11.327 8.789 2.713 1.00 25.33 C ATOM 2262 CD GLU A 142 12.794 9.182 2.501 1.00 51.21 C ATOM 2263 OE1 GLU A 142 13.665 8.289 2.482 1.00 12.12 O ATOM 2264 OE2 GLU A 142 13.079 10.392 2.357 1.00 32.12 O ATOM 0 H GLU A 142 9.246 7.228 2.704 1.00 0.12 H new ATOM 0 HA GLU A 142 9.280 8.227 5.504 1.00 33.01 H new ATOM 0 HB2 GLU A 142 11.196 9.605 4.700 1.00 74.40 H new ATOM 0 HB3 GLU A 142 11.511 7.882 4.656 1.00 74.40 H new ATOM 0 HG2 GLU A 142 11.141 7.834 2.223 1.00 25.33 H new ATOM 0 HG3 GLU A 142 10.688 9.526 2.227 1.00 25.33 H new ATOM 2271 N GLY A 143 8.145 10.373 5.007 1.00 51.41 N ATOM 2272 CA GLY A 143 7.346 11.569 4.788 1.00 51.45 C ATOM 2273 C GLY A 143 6.653 12.001 6.063 1.00 42.24 C ATOM 2274 O GLY A 143 7.315 12.514 6.974 1.00 61.11 O ATOM 0 H GLY A 143 8.352 10.191 5.989 1.00 51.41 H new ATOM 0 HA2 GLY A 143 7.984 12.375 4.426 1.00 51.45 H new ATOM 0 HA3 GLY A 143 6.603 11.378 4.013 1.00 51.45 H new ATOM 2278 N GLU A 144 5.323 11.762 6.159 1.00 12.43 N ATOM 2279 CA GLU A 144 4.478 12.312 7.254 1.00 33.03 C ATOM 2280 C GLU A 144 3.361 11.342 7.694 1.00 4.14 C ATOM 2281 O GLU A 144 3.071 11.230 8.897 1.00 12.33 O ATOM 2282 CB GLU A 144 3.841 13.678 6.820 1.00 55.34 C ATOM 2283 CG GLU A 144 4.837 14.855 6.716 1.00 5.32 C ATOM 2284 CD GLU A 144 4.220 16.162 6.197 1.00 1.41 C ATOM 2285 OE1 GLU A 144 3.229 16.639 6.784 1.00 64.21 O ATOM 2286 OE2 GLU A 144 4.737 16.730 5.207 1.00 54.10 O ATOM 0 H GLU A 144 4.808 11.190 5.490 1.00 12.43 H new ATOM 0 HA GLU A 144 5.138 12.461 8.108 1.00 33.03 H new ATOM 0 HB2 GLU A 144 3.355 13.545 5.853 1.00 55.34 H new ATOM 0 HB3 GLU A 144 3.062 13.942 7.535 1.00 55.34 H new ATOM 0 HG2 GLU A 144 5.270 15.037 7.700 1.00 5.32 H new ATOM 0 HG3 GLU A 144 5.655 14.566 6.056 1.00 5.32 H new ATOM 2293 N THR A 145 2.720 10.659 6.731 1.00 31.44 N ATOM 2294 CA THR A 145 1.458 9.927 6.983 1.00 63.42 C ATOM 2295 C THR A 145 1.372 8.669 6.104 1.00 70.01 C ATOM 2296 O THR A 145 1.641 8.731 4.916 1.00 61.24 O ATOM 2297 CB THR A 145 0.228 10.874 6.703 1.00 61.35 C ATOM 2298 OG1 THR A 145 0.296 12.019 7.568 1.00 74.52 O ATOM 2299 CG2 THR A 145 -1.137 10.181 6.902 1.00 1.52 C ATOM 0 H THR A 145 3.052 10.596 5.769 1.00 31.44 H new ATOM 0 HA THR A 145 1.439 9.613 8.027 1.00 63.42 H new ATOM 0 HB THR A 145 0.294 11.165 5.655 1.00 61.35 H new ATOM 0 HG1 THR A 145 -0.468 12.608 7.392 1.00 74.52 H new ATOM 0 HG21 THR A 145 -1.939 10.889 6.693 1.00 1.52 H new ATOM 0 HG22 THR A 145 -1.217 9.332 6.223 1.00 1.52 H new ATOM 0 HG23 THR A 145 -1.221 9.831 7.931 1.00 1.52 H new ATOM 2307 N PHE A 146 0.970 7.537 6.702 1.00 22.32 N ATOM 2308 CA PHE A 146 0.751 6.271 5.978 1.00 41.54 C ATOM 2309 C PHE A 146 -0.689 6.215 5.430 1.00 2.43 C ATOM 2310 O PHE A 146 -1.645 6.543 6.137 1.00 73.02 O ATOM 2311 CB PHE A 146 1.010 5.046 6.915 1.00 72.53 C ATOM 2312 CG PHE A 146 2.476 4.609 7.004 1.00 50.53 C ATOM 2313 CD1 PHE A 146 3.365 5.191 7.913 1.00 63.25 C ATOM 2314 CD2 PHE A 146 2.961 3.599 6.169 1.00 0.34 C ATOM 2315 CE1 PHE A 146 4.687 4.774 7.979 1.00 24.03 C ATOM 2316 CE2 PHE A 146 4.276 3.188 6.238 1.00 13.42 C ATOM 2317 CZ PHE A 146 5.139 3.772 7.137 1.00 23.33 C ATOM 0 H PHE A 146 0.787 7.472 7.703 1.00 22.32 H new ATOM 0 HA PHE A 146 1.453 6.227 5.146 1.00 41.54 H new ATOM 0 HB2 PHE A 146 0.656 5.290 7.917 1.00 72.53 H new ATOM 0 HB3 PHE A 146 0.414 4.204 6.563 1.00 72.53 H new ATOM 0 HD1 PHE A 146 3.019 5.974 8.571 1.00 63.25 H new ATOM 0 HD2 PHE A 146 2.295 3.132 5.458 1.00 0.34 H new ATOM 0 HE1 PHE A 146 5.363 5.231 8.687 1.00 24.03 H new ATOM 0 HE2 PHE A 146 4.630 2.405 5.584 1.00 13.42 H new ATOM 0 HZ PHE A 146 6.168 3.449 7.186 1.00 23.33 H new ATOM 2327 N TYR A 147 -0.815 5.817 4.154 1.00 45.32 N ATOM 2328 CA TYR A 147 -2.109 5.591 3.488 1.00 11.21 C ATOM 2329 C TYR A 147 -2.232 4.118 3.091 1.00 32.11 C ATOM 2330 O TYR A 147 -1.268 3.513 2.610 1.00 74.12 O ATOM 2331 CB TYR A 147 -2.261 6.494 2.228 1.00 60.30 C ATOM 2332 CG TYR A 147 -2.628 7.951 2.528 1.00 53.23 C ATOM 2333 CD1 TYR A 147 -1.720 8.818 3.130 1.00 24.52 C ATOM 2334 CD2 TYR A 147 -3.888 8.459 2.200 1.00 61.12 C ATOM 2335 CE1 TYR A 147 -2.051 10.132 3.386 1.00 33.14 C ATOM 2336 CE2 TYR A 147 -4.216 9.772 2.459 1.00 33.42 C ATOM 2337 CZ TYR A 147 -3.296 10.603 3.053 1.00 34.45 C ATOM 2338 OH TYR A 147 -3.623 11.919 3.305 1.00 13.22 O ATOM 0 H TYR A 147 -0.013 5.641 3.549 1.00 45.32 H new ATOM 0 HA TYR A 147 -2.904 5.851 4.187 1.00 11.21 H new ATOM 0 HB2 TYR A 147 -1.325 6.476 1.670 1.00 60.30 H new ATOM 0 HB3 TYR A 147 -3.027 6.066 1.581 1.00 60.30 H new ATOM 0 HD1 TYR A 147 -0.740 8.455 3.401 1.00 24.52 H new ATOM 0 HD2 TYR A 147 -4.617 7.811 1.736 1.00 61.12 H new ATOM 0 HE1 TYR A 147 -1.330 10.790 3.849 1.00 33.14 H new ATOM 0 HE2 TYR A 147 -5.194 10.147 2.196 1.00 33.42 H new ATOM 0 HH TYR A 147 -2.811 12.422 3.524 1.00 13.22 H new ATOM 2348 N ILE A 148 -3.429 3.555 3.303 1.00 53.45 N ATOM 2349 CA ILE A 148 -3.759 2.179 2.924 1.00 62.21 C ATOM 2350 C ILE A 148 -5.010 2.204 2.022 1.00 50.34 C ATOM 2351 O ILE A 148 -6.109 2.510 2.484 1.00 72.11 O ATOM 2352 CB ILE A 148 -3.988 1.273 4.196 1.00 12.41 C ATOM 2353 CG1 ILE A 148 -2.687 1.204 5.074 1.00 52.05 C ATOM 2354 CG2 ILE A 148 -4.451 -0.139 3.785 1.00 72.45 C ATOM 2355 CD1 ILE A 148 -2.780 0.324 6.315 1.00 63.21 C ATOM 0 H ILE A 148 -4.202 4.050 3.748 1.00 53.45 H new ATOM 0 HA ILE A 148 -2.924 1.743 2.376 1.00 62.21 H new ATOM 0 HB ILE A 148 -4.776 1.725 4.798 1.00 12.41 H new ATOM 0 HG12 ILE A 148 -1.869 0.840 4.452 1.00 52.05 H new ATOM 0 HG13 ILE A 148 -2.426 2.215 5.386 1.00 52.05 H new ATOM 0 HG21 ILE A 148 -4.603 -0.746 4.677 1.00 72.45 H new ATOM 0 HG22 ILE A 148 -5.387 -0.068 3.231 1.00 72.45 H new ATOM 0 HG23 ILE A 148 -3.691 -0.602 3.156 1.00 72.45 H new ATOM 0 HD11 ILE A 148 -1.830 0.346 6.849 1.00 63.21 H new ATOM 0 HD12 ILE A 148 -3.571 0.696 6.966 1.00 63.21 H new ATOM 0 HD13 ILE A 148 -3.006 -0.700 6.019 1.00 63.21 H new ATOM 2367 N ILE A 149 -4.809 1.924 0.723 1.00 3.54 N ATOM 2368 CA ILE A 149 -5.886 1.927 -0.287 1.00 24.04 C ATOM 2369 C ILE A 149 -6.358 0.479 -0.526 1.00 51.31 C ATOM 2370 O ILE A 149 -5.530 -0.413 -0.688 1.00 52.12 O ATOM 2371 CB ILE A 149 -5.389 2.567 -1.640 1.00 64.42 C ATOM 2372 CG1 ILE A 149 -4.669 3.938 -1.396 1.00 31.04 C ATOM 2373 CG2 ILE A 149 -6.552 2.725 -2.648 1.00 44.52 C ATOM 2374 CD1 ILE A 149 -5.491 4.996 -0.669 1.00 42.13 C ATOM 0 H ILE A 149 -3.893 1.688 0.341 1.00 3.54 H new ATOM 0 HA ILE A 149 -6.716 2.529 0.083 1.00 24.04 H new ATOM 0 HB ILE A 149 -4.660 1.882 -2.074 1.00 64.42 H new ATOM 0 HG12 ILE A 149 -3.760 3.753 -0.823 1.00 31.04 H new ATOM 0 HG13 ILE A 149 -4.361 4.343 -2.360 1.00 31.04 H new ATOM 0 HG21 ILE A 149 -6.177 3.169 -3.570 1.00 44.52 H new ATOM 0 HG22 ILE A 149 -6.981 1.747 -2.865 1.00 44.52 H new ATOM 0 HG23 ILE A 149 -7.319 3.371 -2.220 1.00 44.52 H new ATOM 0 HD11 ILE A 149 -4.897 5.903 -0.554 1.00 42.13 H new ATOM 0 HD12 ILE A 149 -6.388 5.221 -1.247 1.00 42.13 H new ATOM 0 HD13 ILE A 149 -5.777 4.622 0.314 1.00 42.13 H new ATOM 2386 N GLU A 150 -7.680 0.258 -0.550 1.00 42.12 N ATOM 2387 CA GLU A 150 -8.270 -1.094 -0.663 1.00 22.24 C ATOM 2388 C GLU A 150 -8.608 -1.426 -2.142 1.00 12.22 C ATOM 2389 O GLU A 150 -9.553 -0.876 -2.714 1.00 15.51 O ATOM 2390 CB GLU A 150 -9.527 -1.166 0.264 1.00 11.23 C ATOM 2391 CG GLU A 150 -10.225 -2.542 0.333 1.00 64.41 C ATOM 2392 CD GLU A 150 -11.289 -2.657 1.451 1.00 71.54 C ATOM 2393 OE1 GLU A 150 -10.924 -2.537 2.632 1.00 30.11 O ATOM 2394 OE2 GLU A 150 -12.486 -2.930 1.160 1.00 3.41 O ATOM 0 H GLU A 150 -8.373 1.005 -0.492 1.00 42.12 H new ATOM 0 HA GLU A 150 -7.553 -1.847 -0.337 1.00 22.24 H new ATOM 0 HB2 GLU A 150 -9.230 -0.878 1.272 1.00 11.23 H new ATOM 0 HB3 GLU A 150 -10.252 -0.427 -0.078 1.00 11.23 H new ATOM 0 HG2 GLU A 150 -10.699 -2.745 -0.627 1.00 64.41 H new ATOM 0 HG3 GLU A 150 -9.470 -3.313 0.485 1.00 64.41 H new ATOM 2401 N GLN A 151 -7.802 -2.320 -2.757 1.00 42.21 N ATOM 2402 CA GLN A 151 -8.020 -2.813 -4.141 1.00 42.13 C ATOM 2403 C GLN A 151 -8.714 -4.183 -4.083 1.00 0.44 C ATOM 2404 O GLN A 151 -8.091 -5.179 -3.720 1.00 11.54 O ATOM 2405 CB GLN A 151 -6.679 -2.976 -4.939 1.00 54.52 C ATOM 2406 CG GLN A 151 -5.873 -1.684 -5.223 1.00 72.21 C ATOM 2407 CD GLN A 151 -5.210 -1.048 -4.008 1.00 74.42 C ATOM 2408 OE1 GLN A 151 -5.039 0.165 -3.952 1.00 11.21 O ATOM 2409 NE2 GLN A 151 -4.796 -1.860 -3.045 1.00 73.25 N ATOM 0 H GLN A 151 -6.979 -2.723 -2.309 1.00 42.21 H new ATOM 0 HA GLN A 151 -8.633 -2.073 -4.655 1.00 42.13 H new ATOM 0 HB2 GLN A 151 -6.037 -3.662 -4.387 1.00 54.52 H new ATOM 0 HB3 GLN A 151 -6.907 -3.451 -5.893 1.00 54.52 H new ATOM 0 HG2 GLN A 151 -5.102 -1.911 -5.959 1.00 72.21 H new ATOM 0 HG3 GLN A 151 -6.541 -0.952 -5.677 1.00 72.21 H new ATOM 0 HE21 GLN A 151 -4.954 -2.865 -3.122 1.00 73.25 H new ATOM 0 HE22 GLN A 151 -4.320 -1.480 -2.227 1.00 73.25 H new ATOM 2418 N ARG A 152 -10.003 -4.231 -4.425 1.00 14.01 N ATOM 2419 CA ARG A 152 -10.726 -5.512 -4.590 1.00 13.21 C ATOM 2420 C ARG A 152 -10.508 -6.028 -6.030 1.00 2.43 C ATOM 2421 O ARG A 152 -9.999 -5.288 -6.888 1.00 24.05 O ATOM 2422 CB ARG A 152 -12.257 -5.349 -4.328 1.00 1.10 C ATOM 2423 CG ARG A 152 -12.670 -4.731 -2.962 1.00 51.05 C ATOM 2424 CD ARG A 152 -12.601 -3.187 -2.939 1.00 24.43 C ATOM 2425 NE ARG A 152 -13.123 -2.640 -1.679 1.00 55.44 N ATOM 2426 CZ ARG A 152 -14.068 -1.695 -1.549 1.00 41.15 C ATOM 2427 NH1 ARG A 152 -14.649 -1.141 -2.617 1.00 61.05 N ATOM 2428 NH2 ARG A 152 -14.422 -1.306 -0.330 1.00 44.21 N ATOM 0 H ARG A 152 -10.575 -3.404 -4.595 1.00 14.01 H new ATOM 0 HA ARG A 152 -10.334 -6.222 -3.861 1.00 13.21 H new ATOM 0 HB2 ARG A 152 -12.674 -4.729 -5.122 1.00 1.10 H new ATOM 0 HB3 ARG A 152 -12.723 -6.331 -4.412 1.00 1.10 H new ATOM 0 HG2 ARG A 152 -13.686 -5.045 -2.722 1.00 51.05 H new ATOM 0 HG3 ARG A 152 -12.021 -5.128 -2.181 1.00 51.05 H new ATOM 0 HD2 ARG A 152 -11.568 -2.867 -3.075 1.00 24.43 H new ATOM 0 HD3 ARG A 152 -13.172 -2.784 -3.775 1.00 24.43 H new ATOM 0 HE ARG A 152 -12.728 -3.016 -0.817 1.00 55.44 H new ATOM 0 HH11 ARG A 152 -14.377 -1.434 -3.555 1.00 61.05 H new ATOM 0 HH12 ARG A 152 -15.365 -0.425 -2.494 1.00 61.05 H new ATOM 0 HH21 ARG A 152 -13.978 -1.724 0.488 1.00 44.21 H new ATOM 0 HH22 ARG A 152 -15.138 -0.589 -0.211 1.00 44.21 H new ATOM 2442 N LEU A 153 -10.896 -7.292 -6.296 1.00 73.32 N ATOM 2443 CA LEU A 153 -11.007 -7.797 -7.686 1.00 50.32 C ATOM 2444 C LEU A 153 -12.214 -7.155 -8.403 1.00 53.51 C ATOM 2445 O LEU A 153 -13.037 -6.465 -7.773 1.00 51.14 O ATOM 2446 CB LEU A 153 -11.100 -9.352 -7.732 1.00 73.34 C ATOM 2447 CG LEU A 153 -9.765 -10.129 -7.493 1.00 61.25 C ATOM 2448 CD1 LEU A 153 -9.985 -11.655 -7.556 1.00 4.41 C ATOM 2449 CD2 LEU A 153 -8.667 -9.685 -8.491 1.00 15.32 C ATOM 0 H LEU A 153 -11.136 -7.977 -5.579 1.00 73.32 H new ATOM 0 HA LEU A 153 -10.097 -7.510 -8.212 1.00 50.32 H new ATOM 0 HB2 LEU A 153 -11.823 -9.675 -6.983 1.00 73.34 H new ATOM 0 HB3 LEU A 153 -11.497 -9.643 -8.705 1.00 73.34 H new ATOM 0 HG LEU A 153 -9.420 -9.883 -6.489 1.00 61.25 H new ATOM 0 HD11 LEU A 153 -9.038 -12.167 -7.386 1.00 4.41 H new ATOM 0 HD12 LEU A 153 -10.700 -11.951 -6.789 1.00 4.41 H new ATOM 0 HD13 LEU A 153 -10.373 -11.926 -8.538 1.00 4.41 H new ATOM 0 HD21 LEU A 153 -7.752 -10.244 -8.298 1.00 15.32 H new ATOM 0 HD22 LEU A 153 -9.002 -9.878 -9.510 1.00 15.32 H new ATOM 0 HD23 LEU A 153 -8.473 -8.619 -8.369 1.00 15.32 H new ATOM 2461 N GLU A 154 -12.305 -7.407 -9.719 1.00 54.31 N ATOM 2462 CA GLU A 154 -13.338 -6.821 -10.583 1.00 70.41 C ATOM 2463 C GLU A 154 -14.740 -7.320 -10.195 1.00 11.54 C ATOM 2464 O GLU A 154 -14.973 -8.536 -10.091 1.00 72.25 O ATOM 2465 CB GLU A 154 -13.035 -7.132 -12.070 1.00 5.20 C ATOM 2466 CG GLU A 154 -11.701 -6.537 -12.576 1.00 53.33 C ATOM 2467 CD GLU A 154 -11.455 -6.812 -14.064 1.00 3.41 C ATOM 2468 OE1 GLU A 154 -10.955 -7.913 -14.396 1.00 72.15 O ATOM 2469 OE2 GLU A 154 -11.760 -5.940 -14.912 1.00 3.24 O ATOM 0 H GLU A 154 -11.661 -8.025 -10.213 1.00 54.31 H new ATOM 0 HA GLU A 154 -13.323 -5.740 -10.443 1.00 70.41 H new ATOM 0 HB2 GLU A 154 -13.015 -8.213 -12.208 1.00 5.20 H new ATOM 0 HB3 GLU A 154 -13.849 -6.748 -12.684 1.00 5.20 H new ATOM 0 HG2 GLU A 154 -11.700 -5.460 -12.405 1.00 53.33 H new ATOM 0 HG3 GLU A 154 -10.879 -6.953 -11.993 1.00 53.33 H new ATOM 2476 N HIS A 155 -15.635 -6.339 -9.954 1.00 71.35 N ATOM 2477 CA HIS A 155 -17.048 -6.537 -9.568 1.00 71.42 C ATOM 2478 C HIS A 155 -17.195 -7.056 -8.121 1.00 54.42 C ATOM 2479 O HIS A 155 -18.310 -7.378 -7.700 1.00 32.42 O ATOM 2480 CB HIS A 155 -17.821 -7.437 -10.582 1.00 73.13 C ATOM 2481 CG HIS A 155 -17.986 -6.850 -11.971 1.00 42.32 C ATOM 2482 ND1 HIS A 155 -19.162 -6.932 -12.689 1.00 63.24 N ATOM 2483 CD2 HIS A 155 -17.110 -6.208 -12.788 1.00 75.44 C ATOM 2484 CE1 HIS A 155 -18.999 -6.380 -13.872 1.00 74.15 C ATOM 2485 NE2 HIS A 155 -17.766 -5.933 -13.959 1.00 50.15 N ATOM 0 H HIS A 155 -15.385 -5.353 -10.025 1.00 71.35 H new ATOM 0 HA HIS A 155 -17.511 -5.551 -9.601 1.00 71.42 H new ATOM 0 HB2 HIS A 155 -17.300 -8.391 -10.667 1.00 73.13 H new ATOM 0 HB3 HIS A 155 -18.810 -7.649 -10.175 1.00 73.13 H new ATOM 0 HD2 HIS A 155 -16.085 -5.960 -12.557 1.00 75.44 H new ATOM 0 HE1 HIS A 155 -19.752 -6.306 -14.643 1.00 74.15 H new ATOM 0 HE2 HIS A 155 -17.363 -5.458 -14.767 1.00 50.15 H new ATOM 2494 N HIS A 156 -16.081 -7.103 -7.349 1.00 70.24 N ATOM 2495 CA HIS A 156 -16.127 -7.455 -5.911 1.00 0.34 C ATOM 2496 C HIS A 156 -16.438 -6.176 -5.101 1.00 31.40 C ATOM 2497 O HIS A 156 -15.621 -5.663 -4.322 1.00 52.32 O ATOM 2498 CB HIS A 156 -14.809 -8.155 -5.455 1.00 72.45 C ATOM 2499 CG HIS A 156 -14.780 -8.562 -3.991 1.00 52.33 C ATOM 2500 ND1 HIS A 156 -13.710 -8.305 -3.155 1.00 52.12 N ATOM 2501 CD2 HIS A 156 -15.702 -9.191 -3.213 1.00 71.23 C ATOM 2502 CE1 HIS A 156 -13.976 -8.748 -1.944 1.00 44.31 C ATOM 2503 NE2 HIS A 156 -15.172 -9.286 -1.950 1.00 4.50 N ATOM 0 H HIS A 156 -15.144 -6.902 -7.698 1.00 70.24 H new ATOM 0 HA HIS A 156 -16.920 -8.180 -5.729 1.00 0.34 H new ATOM 0 HB2 HIS A 156 -14.654 -9.043 -6.068 1.00 72.45 H new ATOM 0 HB3 HIS A 156 -13.972 -7.484 -5.648 1.00 72.45 H new ATOM 0 HD2 HIS A 156 -16.670 -9.549 -3.530 1.00 71.23 H new ATOM 0 HE1 HIS A 156 -13.319 -8.680 -1.089 1.00 44.31 H new ATOM 0 HE2 HIS A 156 -15.635 -9.708 -1.145 1.00 4.50 H new ATOM 2512 N HIS A 157 -17.645 -5.656 -5.335 1.00 64.51 N ATOM 2513 CA HIS A 157 -18.152 -4.431 -4.709 1.00 74.31 C ATOM 2514 C HIS A 157 -19.057 -4.845 -3.531 1.00 60.13 C ATOM 2515 O HIS A 157 -20.280 -4.649 -3.540 1.00 45.33 O ATOM 2516 CB HIS A 157 -18.892 -3.590 -5.788 1.00 1.34 C ATOM 2517 CG HIS A 157 -19.282 -2.186 -5.378 1.00 14.42 C ATOM 2518 ND1 HIS A 157 -18.651 -1.057 -5.863 1.00 0.41 N ATOM 2519 CD2 HIS A 157 -20.270 -1.728 -4.576 1.00 62.14 C ATOM 2520 CE1 HIS A 157 -19.233 0.017 -5.378 1.00 60.33 C ATOM 2521 NE2 HIS A 157 -20.215 -0.365 -4.598 1.00 74.14 N ATOM 0 H HIS A 157 -18.312 -6.083 -5.978 1.00 64.51 H new ATOM 0 HA HIS A 157 -17.354 -3.804 -4.312 1.00 74.31 H new ATOM 0 HB2 HIS A 157 -18.256 -3.527 -6.671 1.00 1.34 H new ATOM 0 HB3 HIS A 157 -19.794 -4.126 -6.083 1.00 1.34 H new ATOM 0 HD2 HIS A 157 -20.973 -2.331 -4.020 1.00 62.14 H new ATOM 0 HE1 HIS A 157 -18.951 1.038 -5.586 1.00 60.33 H new ATOM 0 HE2 HIS A 157 -20.840 0.259 -4.088 1.00 74.14 H new ATOM 2530 N HIS A 158 -18.422 -5.484 -2.538 1.00 70.45 N ATOM 2531 CA HIS A 158 -19.105 -6.026 -1.356 1.00 74.12 C ATOM 2532 C HIS A 158 -19.454 -4.887 -0.372 1.00 55.41 C ATOM 2533 O HIS A 158 -18.638 -3.977 -0.151 1.00 2.14 O ATOM 2534 CB HIS A 158 -18.216 -7.104 -0.672 1.00 72.51 C ATOM 2535 CG HIS A 158 -16.988 -6.562 0.028 1.00 71.25 C ATOM 2536 ND1 HIS A 158 -16.835 -6.584 1.399 1.00 32.32 N ATOM 2537 CD2 HIS A 158 -15.883 -5.934 -0.451 1.00 40.12 C ATOM 2538 CE1 HIS A 158 -15.710 -5.991 1.729 1.00 24.31 C ATOM 2539 NE2 HIS A 158 -15.118 -5.589 0.626 1.00 71.25 N ATOM 0 H HIS A 158 -17.414 -5.640 -2.533 1.00 70.45 H new ATOM 0 HA HIS A 158 -20.035 -6.500 -1.668 1.00 74.12 H new ATOM 0 HB2 HIS A 158 -18.821 -7.647 0.054 1.00 72.51 H new ATOM 0 HB3 HIS A 158 -17.899 -7.825 -1.425 1.00 72.51 H new ATOM 0 HD2 HIS A 158 -15.653 -5.743 -1.489 1.00 40.12 H new ATOM 0 HE1 HIS A 158 -15.336 -5.857 2.733 1.00 24.31 H new ATOM 0 HE2 HIS A 158 -14.226 -5.096 0.582 1.00 71.25 H new ATOM 2548 N HIS A 159 -20.674 -4.937 0.186 1.00 13.44 N ATOM 2549 CA HIS A 159 -21.139 -3.979 1.206 1.00 24.53 C ATOM 2550 C HIS A 159 -22.420 -4.504 1.867 1.00 34.00 C ATOM 2551 O HIS A 159 -23.078 -5.408 1.338 1.00 74.01 O ATOM 2552 CB HIS A 159 -21.396 -2.559 0.604 1.00 32.23 C ATOM 2553 CG HIS A 159 -22.605 -2.461 -0.295 1.00 73.13 C ATOM 2554 ND1 HIS A 159 -23.824 -1.968 0.134 1.00 2.21 N ATOM 2555 CD2 HIS A 159 -22.777 -2.784 -1.598 1.00 72.32 C ATOM 2556 CE1 HIS A 159 -24.682 -1.996 -0.862 1.00 5.13 C ATOM 2557 NE2 HIS A 159 -24.075 -2.486 -1.924 1.00 10.45 N ATOM 0 H HIS A 159 -21.368 -5.644 -0.057 1.00 13.44 H new ATOM 0 HA HIS A 159 -20.350 -3.882 1.951 1.00 24.53 H new ATOM 0 HB2 HIS A 159 -21.511 -1.848 1.422 1.00 32.23 H new ATOM 0 HB3 HIS A 159 -20.515 -2.255 0.039 1.00 32.23 H new ATOM 0 HD1 HIS A 159 -24.026 -1.635 1.077 1.00 2.21 H new ATOM 0 HD2 HIS A 159 -22.030 -3.199 -2.258 1.00 72.32 H new ATOM 0 HE1 HIS A 159 -25.711 -1.672 -0.817 1.00 5.13 H new ATOM 2566 N HIS A 160 -22.765 -3.923 3.020 1.00 22.40 N ATOM 2567 CA HIS A 160 -24.056 -4.162 3.686 1.00 11.13 C ATOM 2568 C HIS A 160 -24.775 -2.797 3.835 1.00 40.02 C ATOM 2569 O HIS A 160 -24.785 -2.211 4.942 1.00 74.04 O ATOM 2570 CB HIS A 160 -23.838 -4.897 5.043 1.00 13.35 C ATOM 2571 CG HIS A 160 -25.118 -5.353 5.707 1.00 52.51 C ATOM 2572 ND1 HIS A 160 -25.808 -6.479 5.307 1.00 1.20 N ATOM 2573 CD2 HIS A 160 -25.843 -4.822 6.723 1.00 41.23 C ATOM 2574 CE1 HIS A 160 -26.892 -6.615 6.041 1.00 12.41 C ATOM 2575 NE2 HIS A 160 -26.935 -5.624 6.904 1.00 30.14 N ATOM 2576 OXT HIS A 160 -25.262 -2.279 2.806 1.00 37.72 O ATOM 0 H HIS A 160 -22.159 -3.273 3.521 1.00 22.40 H new ATOM 0 HA HIS A 160 -24.692 -4.820 3.094 1.00 11.13 H new ATOM 0 HB2 HIS A 160 -23.198 -5.764 4.877 1.00 13.35 H new ATOM 0 HB3 HIS A 160 -23.305 -4.233 5.723 1.00 13.35 H new ATOM 0 HD2 HIS A 160 -25.602 -3.931 7.284 1.00 41.23 H new ATOM 0 HE1 HIS A 160 -27.622 -7.406 5.950 1.00 12.41 H new ATOM 0 HE2 HIS A 160 -27.667 -5.477 7.599 1.00 30.14 H new TER 2585 HIS A 160