USER MOD reduce.3.24.130724 H: found=0, std=0, add=1235, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1238 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: B 119 LYS NZ :NH3+ -160:sc= 2.36 (180deg=0.732) USER MOD Set 1.2: B 121 GLN : amide:sc= 1.03 K(o=3.4,f=-7.8!) USER MOD Set 2.1: B 83 TYR OH : rot -29:sc= 0.884 USER MOD Set 2.2: B 118 THR OG1 : rot -122:sc= 0.18 USER MOD Set 3.1: B 99 LYS NZ :NH3+ 131:sc= 1.25 (180deg=0) USER MOD Set 3.2: B 100 ASN : amide:sc= 1.02 K(o=2.3,f=-4.4) USER MOD Set 4.1: B 69 SER OG : rot 180:sc= 1.12 USER MOD Set 4.2: B 80 LYS NZ :NH3+ -142:sc= 2.15 (180deg=0.112) USER MOD Set 5.1: A 49 GLN : amide:sc= -1.57! C(o=-1.6!,f=-2.3!) USER MOD Set 5.2: B 105 MET CE :methyl 163:sc= -0.0393 (180deg=-0.41) USER MOD Single : A 1 MET CE :methyl 166:sc= 0 (180deg=-0.0646) USER MOD Single : A 1 MET N :NH3+ 142:sc= 1.34 (180deg=0.619) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.238 F(o=-2.4!,f=-0.24) USER MOD Single : A 6 LYS NZ :NH3+ -170:sc= 1.21 (180deg=1.15) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0204 USER MOD Single : A 9 THR OG1 : rot 39:sc= 1.37 USER MOD Single : A 11 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.081) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0261 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 149:sc= 1.35 USER MOD Single : A 25 ASN : amide:sc= 1 K(o=1,f=-1.6!) USER MOD Single : A 27 LYS NZ :NH3+ -142:sc= 1.03 (180deg=0.182) USER MOD Single : A 29 LYS NZ :NH3+ -159:sc= 2.17 (180deg=1.08) USER MOD Single : A 31 GLN : amide:sc= -0.964 K(o=-0.96,f=-3.3!) USER MOD Single : A 33 LYS NZ :NH3+ -155:sc= 0.274! (180deg=0.129) USER MOD Single : A 40 GLN : amide:sc= -0.116 K(o=-0.12,f=-6.7!) USER MOD Single : A 41 GLN : amide:sc= -1.17! X(o=-1.2!,f=-0.76) USER MOD Single : A 48 LYS NZ :NH3+ -159:sc= 1.14 (180deg=0.812) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 86:sc= 0.116 USER MOD Single : A 59 TYR OH : rot 47:sc= 0.628 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.241 K(o=-0.24,f=-3!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -81:sc= 1.37 USER MOD Single : A 66 THR OG1 : rot 108:sc= 1.11 USER MOD Single : A 68 HIS : no HD1:sc= 1.17 K(o=1.2,f=-5.3!) USER MOD Single : B 50 ASN : amide:sc= -0.0988 K(o=-0.099,f=-0.61) USER MOD Single : B 51 GLN : amide:sc= -1.05 K(o=-1,f=-3.2!) USER MOD Single : B 52 GLN : amide:sc= -1.1 K(o=-1.1,f=-7.7!) USER MOD Single : B 53 THR OG1 : rot -118:sc= -0.589 USER MOD Single : B 54 SER OG : rot 180:sc= 0.159 USER MOD Single : B 56 LYS NZ :NH3+ 171:sc= 1.84 (180deg=1.57) USER MOD Single : B 59 TYR OH : rot 180:sc= 0 USER MOD Single : B 62 LYS NZ :NH3+ -136:sc= -0.082 (180deg=-0.579) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 73 ASN :FLIP amide:sc= -0.0886 F(o=-0.64,f=-0.089) USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 84 ASN : amide:sc= -1.71! X(o=-1.7!,f=-2.1) USER MOD Single : B 85 THR OG1 : rot -97:sc= 1.29 USER MOD Single : B 86 SER OG : rot 180:sc= 0 USER MOD Single : B 92 THR OG1 : rot -85:sc= 0.508 USER MOD Single : B 94 TYR OH : rot 180:sc= 0 USER MOD Single : B 95 ASN : amide:sc= -0.0534 K(o=-0.053,f=-1.3!) USER MOD Single : B 98 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : B 103 ASN : amide:sc= -0.415 K(o=-0.42,f=-5.3!) USER MOD Single : B 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 112 LYS NZ :NH3+ -113:sc= -0.413 (180deg=-1.24) USER MOD Single : B 117 ASN : amide:sc= -0.0978 X(o=-0.098,f=0) USER MOD Single : B 122 MET CE :methyl -127:sc= 0 (180deg=-0.026) USER MOD Single : B 127 ASN : amide:sc= 1.29 K(o=1.3,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.943 4.919 -7.482 1.00 1.19 N ATOM 2 CA MET A 1 -19.603 5.420 -7.854 1.00 1.06 C ATOM 3 C MET A 1 -18.617 4.268 -8.003 1.00 1.03 C ATOM 4 O MET A 1 -18.784 3.213 -7.391 1.00 1.13 O ATOM 5 CB MET A 1 -19.088 6.414 -6.804 1.00 1.01 C ATOM 6 CG MET A 1 -18.877 5.808 -5.420 1.00 1.07 C ATOM 7 SD MET A 1 -17.688 6.730 -4.422 1.00 1.25 S ATOM 8 CE MET A 1 -18.508 8.317 -4.278 1.00 1.32 C ATOM 0 H1 MET A 1 -21.382 5.573 -6.804 1.00 1.19 H new ATOM 0 H2 MET A 1 -21.537 4.852 -8.333 1.00 1.19 H new ATOM 0 H3 MET A 1 -20.854 3.978 -7.047 1.00 1.19 H new ATOM 0 HA MET A 1 -19.690 5.932 -8.812 1.00 1.06 H new ATOM 0 HB2 MET A 1 -18.145 6.836 -7.151 1.00 1.01 H new ATOM 0 HB3 MET A 1 -19.796 7.239 -6.723 1.00 1.01 H new ATOM 0 HG2 MET A 1 -19.832 5.771 -4.896 1.00 1.07 H new ATOM 0 HG3 MET A 1 -18.533 4.780 -5.528 1.00 1.07 H new ATOM 0 HE1 MET A 1 -18.028 8.905 -3.496 1.00 1.32 H new ATOM 0 HE2 MET A 1 -18.439 8.850 -5.226 1.00 1.32 H new ATOM 0 HE3 MET A 1 -19.557 8.163 -4.024 1.00 1.32 H new ATOM 20 N GLN A 2 -17.593 4.476 -8.815 1.00 0.93 N ATOM 21 CA GLN A 2 -16.577 3.465 -9.045 1.00 0.89 C ATOM 22 C GLN A 2 -15.219 3.991 -8.599 1.00 0.85 C ATOM 23 O GLN A 2 -14.814 5.091 -8.979 1.00 0.93 O ATOM 24 CB GLN A 2 -16.553 3.077 -10.528 1.00 0.94 C ATOM 25 CG GLN A 2 -15.546 1.989 -10.871 1.00 1.18 C ATOM 26 CD GLN A 2 -15.680 1.508 -12.306 1.00 1.18 C ATOM 27 OE1 GLN A 2 -16.420 0.429 -12.511 1.00 1.35 O flip ATOM 28 NE2 GLN A 2 -15.104 2.092 -13.222 1.00 1.61 N flip ATOM 0 H GLN A 2 -17.444 5.344 -9.329 1.00 0.93 H new ATOM 0 HA GLN A 2 -16.811 2.574 -8.462 1.00 0.89 H new ATOM 0 HB2 GLN A 2 -17.548 2.741 -10.820 1.00 0.94 H new ATOM 0 HB3 GLN A 2 -16.329 3.964 -11.121 1.00 0.94 H new ATOM 0 HG2 GLN A 2 -14.537 2.368 -10.710 1.00 1.18 H new ATOM 0 HG3 GLN A 2 -15.681 1.146 -10.194 1.00 1.18 H new ATOM 0 HE21 GLN A 2 -14.543 2.921 -13.025 1.00 1.61 H new ATOM 0 HE22 GLN A 2 -15.188 1.748 -14.179 1.00 1.61 H new ATOM 37 N ILE A 3 -14.530 3.217 -7.779 1.00 0.76 N ATOM 38 CA ILE A 3 -13.226 3.621 -7.277 1.00 0.72 C ATOM 39 C ILE A 3 -12.138 2.689 -7.795 1.00 0.68 C ATOM 40 O ILE A 3 -12.421 1.583 -8.268 1.00 0.66 O ATOM 41 CB ILE A 3 -13.174 3.658 -5.728 1.00 0.69 C ATOM 42 CG1 ILE A 3 -13.421 2.260 -5.130 1.00 0.60 C ATOM 43 CG2 ILE A 3 -14.172 4.672 -5.180 1.00 0.85 C ATOM 44 CD1 ILE A 3 -14.882 1.922 -4.887 1.00 0.78 C ATOM 0 H ILE A 3 -14.850 2.307 -7.447 1.00 0.76 H new ATOM 0 HA ILE A 3 -13.052 4.633 -7.644 1.00 0.72 H new ATOM 0 HB ILE A 3 -12.173 3.972 -5.431 1.00 0.69 H new ATOM 0 HG12 ILE A 3 -12.996 1.513 -5.800 1.00 0.60 H new ATOM 0 HG13 ILE A 3 -12.883 2.184 -4.185 1.00 0.60 H new ATOM 0 HG21 ILE A 3 -14.120 4.682 -4.091 1.00 0.85 H new ATOM 0 HG22 ILE A 3 -13.932 5.663 -5.564 1.00 0.85 H new ATOM 0 HG23 ILE A 3 -15.179 4.396 -5.492 1.00 0.85 H new ATOM 0 HD11 ILE A 3 -14.958 0.920 -4.465 1.00 0.78 H new ATOM 0 HD12 ILE A 3 -15.311 2.642 -4.191 1.00 0.78 H new ATOM 0 HD13 ILE A 3 -15.426 1.961 -5.831 1.00 0.78 H new ATOM 56 N PHE A 4 -10.896 3.139 -7.699 1.00 0.68 N ATOM 57 CA PHE A 4 -9.765 2.350 -8.151 1.00 0.66 C ATOM 58 C PHE A 4 -9.026 1.772 -6.958 1.00 0.61 C ATOM 59 O PHE A 4 -8.336 2.489 -6.230 1.00 0.70 O ATOM 60 CB PHE A 4 -8.811 3.195 -8.997 1.00 0.73 C ATOM 61 CG PHE A 4 -9.409 3.660 -10.293 1.00 0.82 C ATOM 62 CD1 PHE A 4 -9.865 2.746 -11.229 1.00 1.03 C ATOM 63 CD2 PHE A 4 -9.519 5.012 -10.572 1.00 0.88 C ATOM 64 CE1 PHE A 4 -10.419 3.172 -12.421 1.00 1.12 C ATOM 65 CE2 PHE A 4 -10.072 5.444 -11.763 1.00 0.96 C ATOM 66 CZ PHE A 4 -10.521 4.524 -12.689 1.00 1.00 C ATOM 0 H PHE A 4 -10.648 4.049 -7.311 1.00 0.68 H new ATOM 0 HA PHE A 4 -10.142 1.536 -8.770 1.00 0.66 H new ATOM 0 HB2 PHE A 4 -8.498 4.064 -8.418 1.00 0.73 H new ATOM 0 HB3 PHE A 4 -7.914 2.613 -9.208 1.00 0.73 H new ATOM 0 HD1 PHE A 4 -9.787 1.688 -11.025 1.00 1.03 H new ATOM 0 HD2 PHE A 4 -9.169 5.736 -9.852 1.00 0.88 H new ATOM 0 HE1 PHE A 4 -10.772 2.450 -13.142 1.00 1.12 H new ATOM 0 HE2 PHE A 4 -10.153 6.501 -11.969 1.00 0.96 H new ATOM 0 HZ PHE A 4 -10.951 4.860 -13.621 1.00 1.00 H new ATOM 76 N VAL A 5 -9.188 0.477 -6.745 1.00 0.53 N ATOM 77 CA VAL A 5 -8.532 -0.186 -5.635 1.00 0.51 C ATOM 78 C VAL A 5 -7.206 -0.793 -6.088 1.00 0.51 C ATOM 79 O VAL A 5 -7.161 -1.699 -6.927 1.00 0.53 O ATOM 80 CB VAL A 5 -9.442 -1.257 -4.981 1.00 0.51 C ATOM 81 CG1 VAL A 5 -9.983 -2.234 -6.009 1.00 0.56 C ATOM 82 CG2 VAL A 5 -8.700 -1.996 -3.882 1.00 0.54 C ATOM 0 H VAL A 5 -9.766 -0.132 -7.324 1.00 0.53 H new ATOM 0 HA VAL A 5 -8.328 0.566 -4.872 1.00 0.51 H new ATOM 0 HB VAL A 5 -10.292 -0.738 -4.538 1.00 0.51 H new ATOM 0 HG11 VAL A 5 -10.616 -2.970 -5.514 1.00 0.56 H new ATOM 0 HG12 VAL A 5 -10.569 -1.693 -6.752 1.00 0.56 H new ATOM 0 HG13 VAL A 5 -9.153 -2.742 -6.500 1.00 0.56 H new ATOM 0 HG21 VAL A 5 -9.358 -2.743 -3.437 1.00 0.54 H new ATOM 0 HG22 VAL A 5 -7.824 -2.489 -4.303 1.00 0.54 H new ATOM 0 HG23 VAL A 5 -8.385 -1.288 -3.116 1.00 0.54 H new ATOM 92 N LYS A 6 -6.126 -0.256 -5.547 1.00 0.54 N ATOM 93 CA LYS A 6 -4.788 -0.713 -5.870 1.00 0.58 C ATOM 94 C LYS A 6 -4.319 -1.743 -4.853 1.00 0.56 C ATOM 95 O LYS A 6 -4.176 -1.440 -3.668 1.00 0.51 O ATOM 96 CB LYS A 6 -3.824 0.474 -5.896 1.00 0.63 C ATOM 97 CG LYS A 6 -2.397 0.099 -6.266 1.00 1.21 C ATOM 98 CD LYS A 6 -1.444 1.272 -6.079 1.00 1.17 C ATOM 99 CE LYS A 6 -1.838 2.458 -6.948 1.00 1.38 C ATOM 100 NZ LYS A 6 -0.729 3.439 -7.097 1.00 1.38 N ATOM 0 H LYS A 6 -6.153 0.508 -4.872 1.00 0.54 H new ATOM 0 HA LYS A 6 -4.806 -1.180 -6.855 1.00 0.58 H new ATOM 0 HB2 LYS A 6 -4.192 1.213 -6.608 1.00 0.63 H new ATOM 0 HB3 LYS A 6 -3.822 0.950 -4.915 1.00 0.63 H new ATOM 0 HG2 LYS A 6 -2.069 -0.739 -5.651 1.00 1.21 H new ATOM 0 HG3 LYS A 6 -2.365 -0.235 -7.303 1.00 1.21 H new ATOM 0 HD2 LYS A 6 -1.438 1.574 -5.032 1.00 1.17 H new ATOM 0 HD3 LYS A 6 -0.429 0.960 -6.326 1.00 1.17 H new ATOM 0 HE2 LYS A 6 -2.139 2.101 -7.933 1.00 1.38 H new ATOM 0 HE3 LYS A 6 -2.704 2.955 -6.511 1.00 1.38 H new ATOM 0 HZ1 LYS A 6 -1.089 4.304 -7.549 1.00 1.38 H new ATOM 0 HZ2 LYS A 6 -0.344 3.673 -6.160 1.00 1.38 H new ATOM 0 HZ3 LYS A 6 0.022 3.027 -7.686 1.00 1.38 H new ATOM 114 N THR A 7 -4.101 -2.960 -5.318 1.00 0.61 N ATOM 115 CA THR A 7 -3.637 -4.030 -4.461 1.00 0.62 C ATOM 116 C THR A 7 -2.157 -3.827 -4.137 1.00 0.63 C ATOM 117 O THR A 7 -1.456 -3.113 -4.855 1.00 0.74 O ATOM 118 CB THR A 7 -3.846 -5.398 -5.137 1.00 0.69 C ATOM 119 OG1 THR A 7 -5.020 -5.355 -5.962 1.00 1.05 O ATOM 120 CG2 THR A 7 -3.995 -6.509 -4.107 1.00 0.90 C ATOM 0 H THR A 7 -4.240 -3.231 -6.292 1.00 0.61 H new ATOM 0 HA THR A 7 -4.215 -4.012 -3.537 1.00 0.62 H new ATOM 0 HB THR A 7 -2.967 -5.610 -5.746 1.00 0.69 H new ATOM 0 HG1 THR A 7 -5.150 -6.226 -6.392 1.00 1.05 H new ATOM 0 HG21 THR A 7 -4.141 -7.461 -4.617 1.00 0.90 H new ATOM 0 HG22 THR A 7 -3.095 -6.560 -3.494 1.00 0.90 H new ATOM 0 HG23 THR A 7 -4.856 -6.302 -3.471 1.00 0.90 H new ATOM 128 N LEU A 8 -1.702 -4.446 -3.053 1.00 0.62 N ATOM 129 CA LEU A 8 -0.314 -4.346 -2.605 1.00 0.65 C ATOM 130 C LEU A 8 0.696 -4.559 -3.737 1.00 0.67 C ATOM 131 O LEU A 8 1.657 -3.808 -3.865 1.00 0.73 O ATOM 132 CB LEU A 8 -0.061 -5.374 -1.499 1.00 0.72 C ATOM 133 CG LEU A 8 1.355 -5.378 -0.927 1.00 0.84 C ATOM 134 CD1 LEU A 8 1.595 -4.125 -0.099 1.00 1.54 C ATOM 135 CD2 LEU A 8 1.586 -6.629 -0.091 1.00 0.94 C ATOM 0 H LEU A 8 -2.286 -5.033 -2.457 1.00 0.62 H new ATOM 0 HA LEU A 8 -0.170 -3.332 -2.232 1.00 0.65 H new ATOM 0 HB2 LEU A 8 -0.764 -5.190 -0.686 1.00 0.72 H new ATOM 0 HB3 LEU A 8 -0.280 -6.367 -1.891 1.00 0.72 H new ATOM 0 HG LEU A 8 2.065 -5.383 -1.754 1.00 0.84 H new ATOM 0 HD11 LEU A 8 2.608 -4.142 0.302 1.00 1.54 H new ATOM 0 HD12 LEU A 8 1.469 -3.244 -0.728 1.00 1.54 H new ATOM 0 HD13 LEU A 8 0.880 -4.090 0.723 1.00 1.54 H new ATOM 0 HD21 LEU A 8 2.600 -6.617 0.310 1.00 0.94 H new ATOM 0 HD22 LEU A 8 0.871 -6.654 0.731 1.00 0.94 H new ATOM 0 HD23 LEU A 8 1.453 -7.513 -0.715 1.00 0.94 H new ATOM 147 N THR A 9 0.458 -5.566 -4.565 1.00 0.67 N ATOM 148 CA THR A 9 1.365 -5.890 -5.663 1.00 0.74 C ATOM 149 C THR A 9 1.299 -4.864 -6.808 1.00 0.75 C ATOM 150 O THR A 9 2.095 -4.920 -7.746 1.00 0.90 O ATOM 151 CB THR A 9 1.077 -7.310 -6.208 1.00 0.80 C ATOM 152 OG1 THR A 9 2.085 -7.701 -7.148 1.00 1.26 O ATOM 153 CG2 THR A 9 -0.292 -7.373 -6.870 1.00 0.91 C ATOM 0 H THR A 9 -0.357 -6.176 -4.499 1.00 0.67 H new ATOM 0 HA THR A 9 2.375 -5.856 -5.254 1.00 0.74 H new ATOM 0 HB THR A 9 1.088 -7.999 -5.364 1.00 0.80 H new ATOM 0 HG1 THR A 9 2.960 -7.388 -6.838 1.00 1.26 H new ATOM 0 HG21 THR A 9 -0.469 -8.381 -7.244 1.00 0.91 H new ATOM 0 HG22 THR A 9 -1.061 -7.116 -6.141 1.00 0.91 H new ATOM 0 HG23 THR A 9 -0.328 -6.667 -7.699 1.00 0.91 H new ATOM 161 N GLY A 10 0.356 -3.932 -6.735 1.00 0.71 N ATOM 162 CA GLY A 10 0.226 -2.925 -7.775 1.00 0.75 C ATOM 163 C GLY A 10 -0.974 -3.156 -8.671 1.00 0.76 C ATOM 164 O GLY A 10 -1.329 -2.296 -9.481 1.00 0.89 O ATOM 0 H GLY A 10 -0.321 -3.854 -5.976 1.00 0.71 H new ATOM 0 HA2 GLY A 10 0.144 -1.941 -7.313 1.00 0.75 H new ATOM 0 HA3 GLY A 10 1.131 -2.918 -8.382 1.00 0.75 H new ATOM 168 N LYS A 11 -1.599 -4.318 -8.527 1.00 0.82 N ATOM 169 CA LYS A 11 -2.766 -4.665 -9.328 1.00 0.85 C ATOM 170 C LYS A 11 -3.899 -3.670 -9.086 1.00 0.77 C ATOM 171 O LYS A 11 -4.221 -3.355 -7.944 1.00 0.78 O ATOM 172 CB LYS A 11 -3.228 -6.086 -8.993 1.00 0.90 C ATOM 173 CG LYS A 11 -4.409 -6.562 -9.825 1.00 0.96 C ATOM 174 CD LYS A 11 -4.728 -8.022 -9.549 1.00 1.09 C ATOM 175 CE LYS A 11 -5.892 -8.509 -10.395 1.00 1.43 C ATOM 176 NZ LYS A 11 -5.544 -8.576 -11.839 1.00 1.63 N ATOM 0 H LYS A 11 -1.316 -5.037 -7.861 1.00 0.82 H new ATOM 0 HA LYS A 11 -2.490 -4.621 -10.382 1.00 0.85 H new ATOM 0 HB2 LYS A 11 -2.394 -6.772 -9.138 1.00 0.90 H new ATOM 0 HB3 LYS A 11 -3.498 -6.131 -7.938 1.00 0.90 H new ATOM 0 HG2 LYS A 11 -5.283 -5.949 -9.604 1.00 0.96 H new ATOM 0 HG3 LYS A 11 -4.187 -6.430 -10.884 1.00 0.96 H new ATOM 0 HD2 LYS A 11 -3.848 -8.632 -9.753 1.00 1.09 H new ATOM 0 HD3 LYS A 11 -4.966 -8.150 -8.493 1.00 1.09 H new ATOM 0 HE2 LYS A 11 -6.202 -9.496 -10.051 1.00 1.43 H new ATOM 0 HE3 LYS A 11 -6.743 -7.842 -10.258 1.00 1.43 H new ATOM 0 HZ1 LYS A 11 -6.316 -9.039 -12.361 1.00 1.63 H new ATOM 0 HZ2 LYS A 11 -5.405 -7.614 -12.208 1.00 1.63 H new ATOM 0 HZ3 LYS A 11 -4.668 -9.123 -11.960 1.00 1.63 H new ATOM 190 N THR A 12 -4.489 -3.166 -10.156 1.00 0.85 N ATOM 191 CA THR A 12 -5.577 -2.209 -10.036 1.00 0.80 C ATOM 192 C THR A 12 -6.902 -2.842 -10.443 1.00 0.81 C ATOM 193 O THR A 12 -7.056 -3.318 -11.570 1.00 0.91 O ATOM 194 CB THR A 12 -5.314 -0.968 -10.901 1.00 0.85 C ATOM 195 OG1 THR A 12 -3.907 -0.849 -11.160 1.00 0.90 O ATOM 196 CG2 THR A 12 -5.816 0.289 -10.207 1.00 0.84 C ATOM 0 H THR A 12 -4.235 -3.402 -11.115 1.00 0.85 H new ATOM 0 HA THR A 12 -5.634 -1.905 -8.991 1.00 0.80 H new ATOM 0 HB THR A 12 -5.851 -1.081 -11.843 1.00 0.85 H new ATOM 0 HG1 THR A 12 -3.742 -0.057 -11.714 1.00 0.90 H new ATOM 0 HG21 THR A 12 -5.619 1.156 -10.838 1.00 0.84 H new ATOM 0 HG22 THR A 12 -6.888 0.204 -10.031 1.00 0.84 H new ATOM 0 HG23 THR A 12 -5.301 0.409 -9.254 1.00 0.84 H new ATOM 204 N ILE A 13 -7.848 -2.862 -9.519 1.00 0.72 N ATOM 205 CA ILE A 13 -9.157 -3.440 -9.779 1.00 0.74 C ATOM 206 C ILE A 13 -10.222 -2.349 -9.802 1.00 0.71 C ATOM 207 O ILE A 13 -10.126 -1.354 -9.076 1.00 0.64 O ATOM 208 CB ILE A 13 -9.525 -4.501 -8.717 1.00 0.72 C ATOM 209 CG1 ILE A 13 -8.280 -5.286 -8.275 1.00 0.74 C ATOM 210 CG2 ILE A 13 -10.581 -5.455 -9.261 1.00 0.80 C ATOM 211 CD1 ILE A 13 -8.466 -6.029 -6.969 1.00 0.85 C ATOM 0 H ILE A 13 -7.734 -2.483 -8.579 1.00 0.72 H new ATOM 0 HA ILE A 13 -9.115 -3.928 -10.753 1.00 0.74 H new ATOM 0 HB ILE A 13 -9.933 -3.984 -7.848 1.00 0.72 H new ATOM 0 HG12 ILE A 13 -8.014 -6.000 -9.055 1.00 0.74 H new ATOM 0 HG13 ILE A 13 -7.442 -4.596 -8.175 1.00 0.74 H new ATOM 0 HG21 ILE A 13 -10.829 -6.196 -8.501 1.00 0.80 H new ATOM 0 HG22 ILE A 13 -11.477 -4.893 -9.526 1.00 0.80 H new ATOM 0 HG23 ILE A 13 -10.194 -5.959 -10.146 1.00 0.80 H new ATOM 0 HD11 ILE A 13 -7.548 -6.560 -6.719 1.00 0.85 H new ATOM 0 HD12 ILE A 13 -8.702 -5.319 -6.177 1.00 0.85 H new ATOM 0 HD13 ILE A 13 -9.283 -6.744 -7.070 1.00 0.85 H new ATOM 223 N THR A 14 -11.227 -2.522 -10.647 1.00 0.80 N ATOM 224 CA THR A 14 -12.304 -1.557 -10.752 1.00 0.81 C ATOM 225 C THR A 14 -13.502 -2.003 -9.918 1.00 0.78 C ATOM 226 O THR A 14 -14.138 -3.017 -10.219 1.00 0.83 O ATOM 227 CB THR A 14 -12.730 -1.364 -12.220 1.00 0.94 C ATOM 228 OG1 THR A 14 -11.993 -2.262 -13.066 1.00 1.01 O ATOM 229 CG2 THR A 14 -12.480 0.065 -12.666 1.00 1.07 C ATOM 0 H THR A 14 -11.317 -3.325 -11.270 1.00 0.80 H new ATOM 0 HA THR A 14 -11.939 -0.604 -10.370 1.00 0.81 H new ATOM 0 HB THR A 14 -13.796 -1.578 -12.299 1.00 0.94 H new ATOM 0 HG1 THR A 14 -12.270 -2.135 -13.997 1.00 1.01 H new ATOM 0 HG21 THR A 14 -12.787 0.181 -13.705 1.00 1.07 H new ATOM 0 HG22 THR A 14 -13.054 0.747 -12.040 1.00 1.07 H new ATOM 0 HG23 THR A 14 -11.418 0.294 -12.574 1.00 1.07 H new ATOM 237 N LEU A 15 -13.790 -1.265 -8.856 1.00 0.74 N ATOM 238 CA LEU A 15 -14.902 -1.600 -7.982 1.00 0.75 C ATOM 239 C LEU A 15 -15.989 -0.539 -8.067 1.00 0.79 C ATOM 240 O LEU A 15 -15.747 0.640 -7.808 1.00 0.81 O ATOM 241 CB LEU A 15 -14.418 -1.756 -6.537 1.00 0.74 C ATOM 242 CG LEU A 15 -14.498 -3.176 -5.965 1.00 0.74 C ATOM 243 CD1 LEU A 15 -15.939 -3.664 -5.932 1.00 0.97 C ATOM 244 CD2 LEU A 15 -13.634 -4.135 -6.772 1.00 0.93 C ATOM 0 H LEU A 15 -13.270 -0.432 -8.580 1.00 0.74 H new ATOM 0 HA LEU A 15 -15.323 -2.550 -8.311 1.00 0.75 H new ATOM 0 HB2 LEU A 15 -13.383 -1.418 -6.480 1.00 0.74 H new ATOM 0 HB3 LEU A 15 -15.006 -1.093 -5.902 1.00 0.74 H new ATOM 0 HG LEU A 15 -14.119 -3.148 -4.943 1.00 0.74 H new ATOM 0 HD11 LEU A 15 -15.972 -4.674 -5.523 1.00 0.97 H new ATOM 0 HD12 LEU A 15 -16.534 -2.999 -5.306 1.00 0.97 H new ATOM 0 HD13 LEU A 15 -16.345 -3.669 -6.944 1.00 0.97 H new ATOM 0 HD21 LEU A 15 -13.707 -5.136 -6.347 1.00 0.93 H new ATOM 0 HD22 LEU A 15 -13.979 -4.154 -7.806 1.00 0.93 H new ATOM 0 HD23 LEU A 15 -12.596 -3.803 -6.742 1.00 0.93 H new ATOM 256 N GLU A 16 -17.183 -0.964 -8.444 1.00 0.84 N ATOM 257 CA GLU A 16 -18.311 -0.060 -8.568 1.00 0.90 C ATOM 258 C GLU A 16 -19.396 -0.431 -7.565 1.00 0.83 C ATOM 259 O GLU A 16 -19.801 -1.590 -7.474 1.00 0.87 O ATOM 260 CB GLU A 16 -18.862 -0.058 -10.006 1.00 1.04 C ATOM 261 CG GLU A 16 -19.378 -1.405 -10.514 1.00 1.10 C ATOM 262 CD GLU A 16 -18.303 -2.472 -10.605 1.00 1.18 C ATOM 263 OE1 GLU A 16 -17.518 -2.463 -11.574 1.00 1.26 O ATOM 264 OE2 GLU A 16 -18.229 -3.325 -9.691 1.00 1.26 O ATOM 0 H GLU A 16 -17.396 -1.936 -8.670 1.00 0.84 H new ATOM 0 HA GLU A 16 -17.969 0.951 -8.346 1.00 0.90 H new ATOM 0 HB2 GLU A 16 -19.673 0.668 -10.065 1.00 1.04 H new ATOM 0 HB3 GLU A 16 -18.076 0.287 -10.677 1.00 1.04 H new ATOM 0 HG2 GLU A 16 -20.170 -1.755 -9.852 1.00 1.10 H new ATOM 0 HG3 GLU A 16 -19.824 -1.266 -11.499 1.00 1.10 H new ATOM 271 N VAL A 17 -19.832 0.550 -6.795 1.00 0.79 N ATOM 272 CA VAL A 17 -20.868 0.346 -5.788 1.00 0.77 C ATOM 273 C VAL A 17 -21.707 1.607 -5.646 1.00 0.78 C ATOM 274 O VAL A 17 -21.336 2.663 -6.160 1.00 0.77 O ATOM 275 CB VAL A 17 -20.276 -0.022 -4.409 1.00 0.73 C ATOM 276 CG1 VAL A 17 -20.034 -1.521 -4.306 1.00 0.76 C ATOM 277 CG2 VAL A 17 -18.988 0.750 -4.153 1.00 0.71 C ATOM 0 H VAL A 17 -19.483 1.507 -6.846 1.00 0.79 H new ATOM 0 HA VAL A 17 -21.485 -0.487 -6.125 1.00 0.77 H new ATOM 0 HB VAL A 17 -21.000 0.258 -3.644 1.00 0.73 H new ATOM 0 HG11 VAL A 17 -19.617 -1.756 -3.327 1.00 0.76 H new ATOM 0 HG12 VAL A 17 -20.977 -2.052 -4.436 1.00 0.76 H new ATOM 0 HG13 VAL A 17 -19.334 -1.831 -5.082 1.00 0.76 H new ATOM 0 HG21 VAL A 17 -18.588 0.476 -3.177 1.00 0.71 H new ATOM 0 HG22 VAL A 17 -18.258 0.507 -4.926 1.00 0.71 H new ATOM 0 HG23 VAL A 17 -19.195 1.820 -4.173 1.00 0.71 H new ATOM 287 N GLU A 18 -22.821 1.508 -4.943 1.00 0.86 N ATOM 288 CA GLU A 18 -23.699 2.650 -4.759 1.00 0.91 C ATOM 289 C GLU A 18 -23.114 3.626 -3.739 1.00 0.89 C ATOM 290 O GLU A 18 -22.349 3.233 -2.864 1.00 0.85 O ATOM 291 CB GLU A 18 -25.087 2.181 -4.321 1.00 1.00 C ATOM 292 CG GLU A 18 -25.840 1.440 -5.415 1.00 1.11 C ATOM 293 CD GLU A 18 -26.028 2.284 -6.656 1.00 1.10 C ATOM 294 OE1 GLU A 18 -26.994 3.072 -6.698 1.00 1.46 O ATOM 295 OE2 GLU A 18 -25.212 2.168 -7.595 1.00 1.29 O ATOM 0 H GLU A 18 -23.139 0.651 -4.491 1.00 0.86 H new ATOM 0 HA GLU A 18 -23.791 3.173 -5.711 1.00 0.91 H new ATOM 0 HB2 GLU A 18 -24.987 1.530 -3.453 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -25.673 3.044 -4.006 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -25.297 0.531 -5.675 1.00 1.11 H new ATOM 0 HG3 GLU A 18 -26.815 1.132 -5.037 1.00 1.11 H new ATOM 302 N PRO A 19 -23.459 4.919 -3.843 1.00 0.95 N ATOM 303 CA PRO A 19 -22.953 5.946 -2.920 1.00 0.99 C ATOM 304 C PRO A 19 -23.382 5.696 -1.473 1.00 1.05 C ATOM 305 O PRO A 19 -22.714 6.118 -0.527 1.00 1.09 O ATOM 306 CB PRO A 19 -23.570 7.248 -3.450 1.00 1.08 C ATOM 307 CG PRO A 19 -24.729 6.820 -4.286 1.00 1.07 C ATOM 308 CD PRO A 19 -24.349 5.492 -4.870 1.00 1.04 C ATOM 0 HA PRO A 19 -21.863 5.961 -2.891 1.00 0.99 H new ATOM 0 HB2 PRO A 19 -23.891 7.893 -2.632 1.00 1.08 H new ATOM 0 HB3 PRO A 19 -22.848 7.815 -4.038 1.00 1.08 H new ATOM 0 HG2 PRO A 19 -25.634 6.737 -3.685 1.00 1.07 H new ATOM 0 HG3 PRO A 19 -24.933 7.548 -5.071 1.00 1.07 H new ATOM 0 HD2 PRO A 19 -25.222 4.863 -5.044 1.00 1.04 H new ATOM 0 HD3 PRO A 19 -23.841 5.603 -5.828 1.00 1.04 H new ATOM 316 N SER A 20 -24.495 4.995 -1.316 1.00 1.11 N ATOM 317 CA SER A 20 -25.026 4.679 -0.003 1.00 1.22 C ATOM 318 C SER A 20 -24.654 3.252 0.403 1.00 1.11 C ATOM 319 O SER A 20 -25.141 2.735 1.409 1.00 1.16 O ATOM 320 CB SER A 20 -26.549 4.849 -0.011 1.00 1.42 C ATOM 321 OG SER A 20 -26.934 5.958 -0.811 1.00 1.61 O ATOM 0 H SER A 20 -25.051 4.632 -2.091 1.00 1.11 H new ATOM 0 HA SER A 20 -24.591 5.362 0.726 1.00 1.22 H new ATOM 0 HB2 SER A 20 -27.018 3.942 -0.392 1.00 1.42 H new ATOM 0 HB3 SER A 20 -26.908 4.990 1.009 1.00 1.42 H new ATOM 0 HG SER A 20 -27.910 6.045 -0.802 1.00 1.61 H new ATOM 327 N ASP A 21 -23.781 2.625 -0.378 1.00 0.99 N ATOM 328 CA ASP A 21 -23.355 1.261 -0.100 1.00 0.91 C ATOM 329 C ASP A 21 -22.398 1.228 1.080 1.00 0.86 C ATOM 330 O ASP A 21 -21.482 2.054 1.176 1.00 0.89 O ATOM 331 CB ASP A 21 -22.679 0.644 -1.322 1.00 0.87 C ATOM 332 CG ASP A 21 -23.456 -0.523 -1.888 1.00 0.92 C ATOM 333 OD1 ASP A 21 -23.873 -1.398 -1.103 1.00 1.09 O ATOM 334 OD2 ASP A 21 -23.664 -0.564 -3.121 1.00 1.32 O ATOM 0 H ASP A 21 -23.356 3.040 -1.207 1.00 0.99 H new ATOM 0 HA ASP A 21 -24.243 0.679 0.145 1.00 0.91 H new ATOM 0 HB2 ASP A 21 -22.563 1.406 -2.092 1.00 0.87 H new ATOM 0 HB3 ASP A 21 -21.677 0.311 -1.049 1.00 0.87 H new ATOM 339 N THR A 22 -22.623 0.287 1.981 1.00 0.83 N ATOM 340 CA THR A 22 -21.781 0.136 3.150 1.00 0.82 C ATOM 341 C THR A 22 -20.438 -0.474 2.762 1.00 0.76 C ATOM 342 O THR A 22 -20.364 -1.282 1.833 1.00 0.75 O ATOM 343 CB THR A 22 -22.465 -0.744 4.208 1.00 0.88 C ATOM 344 OG1 THR A 22 -23.396 -1.635 3.571 1.00 1.00 O ATOM 345 CG2 THR A 22 -23.193 0.106 5.239 1.00 1.13 C ATOM 0 H THR A 22 -23.387 -0.386 1.922 1.00 0.83 H new ATOM 0 HA THR A 22 -21.615 1.126 3.575 1.00 0.82 H new ATOM 0 HB THR A 22 -21.696 -1.322 4.721 1.00 0.88 H new ATOM 0 HG1 THR A 22 -23.455 -2.468 4.084 1.00 1.00 H new ATOM 0 HG21 THR A 22 -23.668 -0.542 5.975 1.00 1.13 H new ATOM 0 HG22 THR A 22 -22.480 0.762 5.739 1.00 1.13 H new ATOM 0 HG23 THR A 22 -23.953 0.709 4.742 1.00 1.13 H new ATOM 353 N ILE A 23 -19.387 -0.093 3.475 1.00 0.74 N ATOM 354 CA ILE A 23 -18.041 -0.592 3.196 1.00 0.69 C ATOM 355 C ILE A 23 -17.996 -2.121 3.212 1.00 0.67 C ATOM 356 O ILE A 23 -17.279 -2.739 2.421 1.00 0.63 O ATOM 357 CB ILE A 23 -17.015 -0.030 4.208 1.00 0.68 C ATOM 358 CG1 ILE A 23 -16.978 1.501 4.134 1.00 0.71 C ATOM 359 CG2 ILE A 23 -15.627 -0.609 3.960 1.00 0.63 C ATOM 360 CD1 ILE A 23 -16.618 2.045 2.765 1.00 0.69 C ATOM 0 H ILE A 23 -19.438 0.563 4.255 1.00 0.74 H new ATOM 0 HA ILE A 23 -17.775 -0.247 2.197 1.00 0.69 H new ATOM 0 HB ILE A 23 -17.329 -0.325 5.209 1.00 0.68 H new ATOM 0 HG12 ILE A 23 -17.953 1.892 4.424 1.00 0.71 H new ATOM 0 HG13 ILE A 23 -16.257 1.872 4.862 1.00 0.71 H new ATOM 0 HG21 ILE A 23 -14.926 -0.197 4.686 1.00 0.63 H new ATOM 0 HG22 ILE A 23 -15.661 -1.693 4.064 1.00 0.63 H new ATOM 0 HG23 ILE A 23 -15.300 -0.351 2.953 1.00 0.63 H new ATOM 0 HD11 ILE A 23 -16.613 3.135 2.796 1.00 0.69 H new ATOM 0 HD12 ILE A 23 -15.629 1.686 2.479 1.00 0.69 H new ATOM 0 HD13 ILE A 23 -17.352 1.706 2.034 1.00 0.69 H new ATOM 372 N GLU A 24 -18.772 -2.728 4.099 1.00 0.71 N ATOM 373 CA GLU A 24 -18.817 -4.182 4.199 1.00 0.72 C ATOM 374 C GLU A 24 -19.377 -4.815 2.927 1.00 0.71 C ATOM 375 O GLU A 24 -18.971 -5.913 2.546 1.00 0.71 O ATOM 376 CB GLU A 24 -19.625 -4.628 5.422 1.00 0.80 C ATOM 377 CG GLU A 24 -20.855 -3.783 5.703 1.00 0.95 C ATOM 378 CD GLU A 24 -22.141 -4.483 5.323 1.00 0.97 C ATOM 379 OE1 GLU A 24 -22.538 -5.429 6.038 1.00 1.14 O ATOM 380 OE2 GLU A 24 -22.754 -4.088 4.315 1.00 1.64 O ATOM 0 H GLU A 24 -19.378 -2.239 4.758 1.00 0.71 H new ATOM 0 HA GLU A 24 -17.791 -4.529 4.322 1.00 0.72 H new ATOM 0 HB2 GLU A 24 -19.935 -5.663 5.280 1.00 0.80 H new ATOM 0 HB3 GLU A 24 -18.977 -4.607 6.298 1.00 0.80 H new ATOM 0 HG2 GLU A 24 -20.883 -3.530 6.763 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -20.780 -2.845 5.153 1.00 0.95 H new ATOM 387 N ASN A 25 -20.295 -4.124 2.259 1.00 0.72 N ATOM 388 CA ASN A 25 -20.873 -4.643 1.024 1.00 0.73 C ATOM 389 C ASN A 25 -19.871 -4.496 -0.111 1.00 0.69 C ATOM 390 O ASN A 25 -19.770 -5.360 -0.983 1.00 0.70 O ATOM 391 CB ASN A 25 -22.179 -3.933 0.660 1.00 0.79 C ATOM 392 CG ASN A 25 -22.989 -4.725 -0.354 1.00 0.86 C ATOM 393 OD1 ASN A 25 -22.945 -5.957 -0.376 1.00 0.96 O ATOM 394 ND2 ASN A 25 -23.728 -4.027 -1.201 1.00 0.97 N ATOM 0 H ASN A 25 -20.652 -3.213 2.548 1.00 0.72 H new ATOM 0 HA ASN A 25 -21.105 -5.696 1.182 1.00 0.73 H new ATOM 0 HB2 ASN A 25 -22.773 -3.781 1.561 1.00 0.79 H new ATOM 0 HB3 ASN A 25 -21.955 -2.946 0.255 1.00 0.79 H new ATOM 0 HD21 ASN A 25 -24.288 -4.508 -1.905 1.00 0.97 H new ATOM 0 HD22 ASN A 25 -23.737 -3.008 -1.150 1.00 0.97 H new ATOM 401 N VAL A 26 -19.119 -3.399 -0.084 1.00 0.65 N ATOM 402 CA VAL A 26 -18.096 -3.146 -1.091 1.00 0.62 C ATOM 403 C VAL A 26 -17.053 -4.255 -1.033 1.00 0.58 C ATOM 404 O VAL A 26 -16.644 -4.799 -2.057 1.00 0.57 O ATOM 405 CB VAL A 26 -17.400 -1.782 -0.875 1.00 0.60 C ATOM 406 CG1 VAL A 26 -16.449 -1.474 -2.022 1.00 0.59 C ATOM 407 CG2 VAL A 26 -18.427 -0.670 -0.715 1.00 0.63 C ATOM 0 H VAL A 26 -19.200 -2.671 0.626 1.00 0.65 H new ATOM 0 HA VAL A 26 -18.582 -3.124 -2.066 1.00 0.62 H new ATOM 0 HB VAL A 26 -16.817 -1.841 0.044 1.00 0.60 H new ATOM 0 HG11 VAL A 26 -15.971 -0.510 -1.849 1.00 0.59 H new ATOM 0 HG12 VAL A 26 -15.687 -2.252 -2.082 1.00 0.59 H new ATOM 0 HG13 VAL A 26 -17.007 -1.440 -2.958 1.00 0.59 H new ATOM 0 HG21 VAL A 26 -17.914 0.280 -0.564 1.00 0.63 H new ATOM 0 HG22 VAL A 26 -19.043 -0.612 -1.612 1.00 0.63 H new ATOM 0 HG23 VAL A 26 -19.061 -0.881 0.147 1.00 0.63 H new ATOM 417 N LYS A 27 -16.659 -4.605 0.188 1.00 0.57 N ATOM 418 CA LYS A 27 -15.678 -5.657 0.412 1.00 0.54 C ATOM 419 C LYS A 27 -16.245 -7.016 -0.004 1.00 0.55 C ATOM 420 O LYS A 27 -15.511 -7.895 -0.453 1.00 0.52 O ATOM 421 CB LYS A 27 -15.265 -5.693 1.886 1.00 0.59 C ATOM 422 CG LYS A 27 -14.524 -4.446 2.353 1.00 0.67 C ATOM 423 CD LYS A 27 -14.260 -4.482 3.851 1.00 0.82 C ATOM 424 CE LYS A 27 -13.316 -3.366 4.281 1.00 1.03 C ATOM 425 NZ LYS A 27 -12.981 -3.440 5.733 1.00 1.08 N ATOM 0 H LYS A 27 -17.008 -4.170 1.042 1.00 0.57 H new ATOM 0 HA LYS A 27 -14.800 -5.443 -0.197 1.00 0.54 H new ATOM 0 HB2 LYS A 27 -16.156 -5.824 2.499 1.00 0.59 H new ATOM 0 HB3 LYS A 27 -14.631 -6.564 2.054 1.00 0.59 H new ATOM 0 HG2 LYS A 27 -13.578 -4.362 1.818 1.00 0.67 H new ATOM 0 HG3 LYS A 27 -15.109 -3.560 2.107 1.00 0.67 H new ATOM 0 HD2 LYS A 27 -15.203 -4.389 4.390 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -13.831 -5.447 4.122 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -12.399 -3.422 3.695 1.00 1.03 H new ATOM 0 HE3 LYS A 27 -13.774 -2.401 4.064 1.00 1.03 H new ATOM 0 HZ1 LYS A 27 -12.931 -2.479 6.127 1.00 1.08 H new ATOM 0 HZ2 LYS A 27 -13.716 -3.981 6.232 1.00 1.08 H new ATOM 0 HZ3 LYS A 27 -12.062 -3.912 5.854 1.00 1.08 H new ATOM 439 N ALA A 28 -17.558 -7.169 0.138 1.00 0.63 N ATOM 440 CA ALA A 28 -18.230 -8.411 -0.220 1.00 0.68 C ATOM 441 C ALA A 28 -18.267 -8.601 -1.733 1.00 0.68 C ATOM 442 O ALA A 28 -18.236 -9.728 -2.224 1.00 0.75 O ATOM 443 CB ALA A 28 -19.640 -8.438 0.352 1.00 0.75 C ATOM 0 H ALA A 28 -18.179 -6.445 0.500 1.00 0.63 H new ATOM 0 HA ALA A 28 -17.662 -9.236 0.210 1.00 0.68 H new ATOM 0 HB1 ALA A 28 -20.127 -9.373 0.075 1.00 0.75 H new ATOM 0 HB2 ALA A 28 -19.593 -8.361 1.438 1.00 0.75 H new ATOM 0 HB3 ALA A 28 -20.211 -7.599 -0.047 1.00 0.75 H new ATOM 449 N LYS A 29 -18.330 -7.497 -2.475 1.00 0.65 N ATOM 450 CA LYS A 29 -18.358 -7.569 -3.929 1.00 0.70 C ATOM 451 C LYS A 29 -17.000 -8.022 -4.458 1.00 0.67 C ATOM 452 O LYS A 29 -16.909 -8.700 -5.483 1.00 0.76 O ATOM 453 CB LYS A 29 -18.746 -6.217 -4.538 1.00 0.72 C ATOM 454 CG LYS A 29 -19.499 -6.345 -5.856 1.00 1.05 C ATOM 455 CD LYS A 29 -19.697 -4.999 -6.537 1.00 1.00 C ATOM 456 CE LYS A 29 -20.638 -5.115 -7.727 1.00 1.39 C ATOM 457 NZ LYS A 29 -20.625 -3.895 -8.573 1.00 1.23 N ATOM 0 H LYS A 29 -18.362 -6.551 -2.095 1.00 0.65 H new ATOM 0 HA LYS A 29 -19.112 -8.299 -4.222 1.00 0.70 H new ATOM 0 HB2 LYS A 29 -19.364 -5.669 -3.826 1.00 0.72 H new ATOM 0 HB3 LYS A 29 -17.844 -5.626 -4.698 1.00 0.72 H new ATOM 0 HG2 LYS A 29 -18.951 -7.011 -6.523 1.00 1.05 H new ATOM 0 HG3 LYS A 29 -20.470 -6.805 -5.674 1.00 1.05 H new ATOM 0 HD2 LYS A 29 -20.099 -4.282 -5.821 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -18.734 -4.612 -6.869 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -20.353 -5.977 -8.331 1.00 1.39 H new ATOM 0 HE3 LYS A 29 -21.652 -5.297 -7.370 1.00 1.39 H new ATOM 0 HZ1 LYS A 29 -21.497 -3.855 -9.139 1.00 1.23 H new ATOM 0 HZ2 LYS A 29 -20.567 -3.052 -7.966 1.00 1.23 H new ATOM 0 HZ3 LYS A 29 -19.802 -3.921 -9.208 1.00 1.23 H new ATOM 471 N ILE A 30 -15.940 -7.656 -3.740 1.00 0.57 N ATOM 472 CA ILE A 30 -14.586 -8.042 -4.127 1.00 0.55 C ATOM 473 C ILE A 30 -14.411 -9.547 -3.942 1.00 0.61 C ATOM 474 O ILE A 30 -13.617 -10.194 -4.634 1.00 0.65 O ATOM 475 CB ILE A 30 -13.516 -7.289 -3.303 1.00 0.45 C ATOM 476 CG1 ILE A 30 -13.818 -5.786 -3.285 1.00 0.48 C ATOM 477 CG2 ILE A 30 -12.126 -7.548 -3.873 1.00 0.46 C ATOM 478 CD1 ILE A 30 -12.893 -4.986 -2.390 1.00 0.45 C ATOM 0 H ILE A 30 -15.993 -7.095 -2.890 1.00 0.57 H new ATOM 0 HA ILE A 30 -14.448 -7.775 -5.175 1.00 0.55 H new ATOM 0 HB ILE A 30 -13.542 -7.659 -2.278 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -13.749 -5.399 -4.302 1.00 0.48 H new ATOM 0 HG13 ILE A 30 -14.846 -5.636 -2.956 1.00 0.48 H new ATOM 0 HG21 ILE A 30 -11.384 -7.011 -3.282 1.00 0.46 H new ATOM 0 HG22 ILE A 30 -11.912 -8.616 -3.840 1.00 0.46 H new ATOM 0 HG23 ILE A 30 -12.086 -7.202 -4.906 1.00 0.46 H new ATOM 0 HD11 ILE A 30 -13.169 -3.932 -2.430 1.00 0.45 H new ATOM 0 HD12 ILE A 30 -12.979 -5.345 -1.364 1.00 0.45 H new ATOM 0 HD13 ILE A 30 -11.864 -5.105 -2.731 1.00 0.45 H new ATOM 490 N GLN A 31 -15.184 -10.095 -3.015 1.00 0.64 N ATOM 491 CA GLN A 31 -15.159 -11.518 -2.720 1.00 0.74 C ATOM 492 C GLN A 31 -15.683 -12.315 -3.910 1.00 0.81 C ATOM 493 O GLN A 31 -15.278 -13.450 -4.143 1.00 0.87 O ATOM 494 CB GLN A 31 -16.012 -11.805 -1.481 1.00 0.80 C ATOM 495 CG GLN A 31 -15.943 -13.244 -0.998 1.00 1.04 C ATOM 496 CD GLN A 31 -16.997 -13.548 0.047 1.00 1.06 C ATOM 497 OE1 GLN A 31 -17.417 -12.670 0.794 1.00 0.95 O ATOM 498 NE2 GLN A 31 -17.433 -14.793 0.102 1.00 1.53 N ATOM 0 H GLN A 31 -15.845 -9.565 -2.447 1.00 0.64 H new ATOM 0 HA GLN A 31 -14.130 -11.820 -2.525 1.00 0.74 H new ATOM 0 HB2 GLN A 31 -15.693 -11.147 -0.673 1.00 0.80 H new ATOM 0 HB3 GLN A 31 -17.050 -11.557 -1.703 1.00 0.80 H new ATOM 0 HG2 GLN A 31 -16.070 -13.917 -1.846 1.00 1.04 H new ATOM 0 HG3 GLN A 31 -14.955 -13.439 -0.582 1.00 1.04 H new ATOM 0 HE21 GLN A 31 -17.058 -15.494 -0.537 1.00 1.53 H new ATOM 0 HE22 GLN A 31 -18.145 -15.054 0.784 1.00 1.53 H new ATOM 507 N ASP A 32 -16.573 -11.701 -4.676 1.00 0.85 N ATOM 508 CA ASP A 32 -17.150 -12.355 -5.841 1.00 0.94 C ATOM 509 C ASP A 32 -16.308 -12.088 -7.084 1.00 0.97 C ATOM 510 O ASP A 32 -16.130 -12.967 -7.928 1.00 1.05 O ATOM 511 CB ASP A 32 -18.579 -11.871 -6.068 1.00 1.01 C ATOM 512 CG ASP A 32 -19.358 -12.791 -6.985 1.00 1.17 C ATOM 513 OD1 ASP A 32 -19.866 -13.822 -6.500 1.00 1.33 O ATOM 514 OD2 ASP A 32 -19.465 -12.489 -8.190 1.00 1.32 O ATOM 0 H ASP A 32 -16.911 -10.753 -4.512 1.00 0.85 H new ATOM 0 HA ASP A 32 -17.164 -13.429 -5.655 1.00 0.94 H new ATOM 0 HB2 ASP A 32 -19.092 -11.798 -5.109 1.00 1.01 H new ATOM 0 HB3 ASP A 32 -18.557 -10.869 -6.495 1.00 1.01 H new ATOM 519 N LYS A 33 -15.778 -10.869 -7.181 1.00 0.95 N ATOM 520 CA LYS A 33 -14.958 -10.473 -8.324 1.00 1.02 C ATOM 521 C LYS A 33 -13.601 -11.182 -8.330 1.00 0.98 C ATOM 522 O LYS A 33 -13.256 -11.869 -9.291 1.00 1.14 O ATOM 523 CB LYS A 33 -14.742 -8.955 -8.334 1.00 1.02 C ATOM 524 CG LYS A 33 -15.928 -8.172 -8.869 1.00 1.05 C ATOM 525 CD LYS A 33 -15.504 -6.807 -9.391 1.00 1.15 C ATOM 526 CE LYS A 33 -16.669 -6.071 -10.035 1.00 1.33 C ATOM 527 NZ LYS A 33 -16.224 -4.889 -10.828 1.00 1.55 N ATOM 0 H LYS A 33 -15.903 -10.138 -6.480 1.00 0.95 H new ATOM 0 HA LYS A 33 -15.500 -10.771 -9.222 1.00 1.02 H new ATOM 0 HB2 LYS A 33 -14.526 -8.621 -7.319 1.00 1.02 H new ATOM 0 HB3 LYS A 33 -13.864 -8.726 -8.939 1.00 1.02 H new ATOM 0 HG2 LYS A 33 -16.407 -8.736 -9.669 1.00 1.05 H new ATOM 0 HG3 LYS A 33 -16.669 -8.047 -8.079 1.00 1.05 H new ATOM 0 HD2 LYS A 33 -15.104 -6.211 -8.571 1.00 1.15 H new ATOM 0 HD3 LYS A 33 -14.701 -6.928 -10.119 1.00 1.15 H new ATOM 0 HE2 LYS A 33 -17.215 -6.756 -10.684 1.00 1.33 H new ATOM 0 HE3 LYS A 33 -17.363 -5.745 -9.260 1.00 1.33 H new ATOM 0 HZ1 LYS A 33 -17.000 -4.199 -10.888 1.00 1.55 H new ATOM 0 HZ2 LYS A 33 -15.404 -4.448 -10.364 1.00 1.55 H new ATOM 0 HZ3 LYS A 33 -15.957 -5.194 -11.786 1.00 1.55 H new ATOM 541 N GLU A 34 -12.835 -11.014 -7.258 1.00 0.84 N ATOM 542 CA GLU A 34 -11.514 -11.625 -7.168 1.00 0.82 C ATOM 543 C GLU A 34 -11.541 -12.906 -6.341 1.00 0.82 C ATOM 544 O GLU A 34 -10.885 -13.890 -6.683 1.00 1.08 O ATOM 545 CB GLU A 34 -10.517 -10.638 -6.564 1.00 0.75 C ATOM 546 CG GLU A 34 -9.862 -9.734 -7.596 1.00 1.08 C ATOM 547 CD GLU A 34 -8.912 -10.486 -8.509 1.00 1.63 C ATOM 548 OE1 GLU A 34 -7.732 -10.645 -8.143 1.00 1.88 O ATOM 549 OE2 GLU A 34 -9.343 -10.929 -9.595 1.00 2.06 O ATOM 0 H GLU A 34 -13.104 -10.463 -6.443 1.00 0.84 H new ATOM 0 HA GLU A 34 -11.201 -11.885 -8.179 1.00 0.82 H new ATOM 0 HB2 GLU A 34 -11.029 -10.022 -5.825 1.00 0.75 H new ATOM 0 HB3 GLU A 34 -9.743 -11.193 -6.035 1.00 0.75 H new ATOM 0 HG2 GLU A 34 -10.635 -9.255 -8.197 1.00 1.08 H new ATOM 0 HG3 GLU A 34 -9.317 -8.940 -7.085 1.00 1.08 H new ATOM 556 N GLY A 35 -12.301 -12.893 -5.259 1.00 0.96 N ATOM 557 CA GLY A 35 -12.383 -14.064 -4.408 1.00 0.98 C ATOM 558 C GLY A 35 -11.639 -13.874 -3.103 1.00 0.87 C ATOM 559 O GLY A 35 -11.000 -14.800 -2.604 1.00 1.01 O ATOM 0 H GLY A 35 -12.861 -12.097 -4.954 1.00 0.96 H new ATOM 0 HA2 GLY A 35 -13.429 -14.287 -4.199 1.00 0.98 H new ATOM 0 HA3 GLY A 35 -11.973 -14.925 -4.936 1.00 0.98 H new ATOM 563 N ILE A 36 -11.707 -12.669 -2.557 1.00 0.83 N ATOM 564 CA ILE A 36 -11.040 -12.358 -1.302 1.00 0.72 C ATOM 565 C ILE A 36 -12.084 -12.099 -0.218 1.00 0.68 C ATOM 566 O ILE A 36 -12.938 -11.225 -0.377 1.00 0.71 O ATOM 567 CB ILE A 36 -10.125 -11.121 -1.442 1.00 0.70 C ATOM 568 CG1 ILE A 36 -9.199 -11.281 -2.654 1.00 0.86 C ATOM 569 CG2 ILE A 36 -9.305 -10.926 -0.174 1.00 0.66 C ATOM 570 CD1 ILE A 36 -8.501 -10.001 -3.059 1.00 0.88 C ATOM 0 H ILE A 36 -12.220 -11.888 -2.966 1.00 0.83 H new ATOM 0 HA ILE A 36 -10.420 -13.211 -1.027 1.00 0.72 H new ATOM 0 HB ILE A 36 -10.749 -10.240 -1.593 1.00 0.70 H new ATOM 0 HG12 ILE A 36 -8.448 -12.038 -2.429 1.00 0.86 H new ATOM 0 HG13 ILE A 36 -9.781 -11.650 -3.499 1.00 0.86 H new ATOM 0 HG21 ILE A 36 -8.665 -10.051 -0.286 1.00 0.66 H new ATOM 0 HG22 ILE A 36 -9.975 -10.780 0.673 1.00 0.66 H new ATOM 0 HG23 ILE A 36 -8.688 -11.808 -0.001 1.00 0.66 H new ATOM 0 HD11 ILE A 36 -7.864 -10.192 -3.922 1.00 0.88 H new ATOM 0 HD12 ILE A 36 -9.245 -9.247 -3.316 1.00 0.88 H new ATOM 0 HD13 ILE A 36 -7.891 -9.641 -2.230 1.00 0.88 H new ATOM 582 N PRO A 37 -12.046 -12.866 0.884 1.00 0.70 N ATOM 583 CA PRO A 37 -13.004 -12.717 1.988 1.00 0.76 C ATOM 584 C PRO A 37 -12.987 -11.313 2.593 1.00 0.68 C ATOM 585 O PRO A 37 -11.924 -10.715 2.772 1.00 0.66 O ATOM 586 CB PRO A 37 -12.541 -13.749 3.024 1.00 0.91 C ATOM 587 CG PRO A 37 -11.142 -14.093 2.639 1.00 0.86 C ATOM 588 CD PRO A 37 -11.072 -13.934 1.149 1.00 0.75 C ATOM 0 HA PRO A 37 -14.028 -12.870 1.649 1.00 0.76 H new ATOM 0 HB2 PRO A 37 -12.582 -13.339 4.033 1.00 0.91 H new ATOM 0 HB3 PRO A 37 -13.180 -14.632 3.013 1.00 0.91 H new ATOM 0 HG2 PRO A 37 -10.428 -13.436 3.135 1.00 0.86 H new ATOM 0 HG3 PRO A 37 -10.896 -15.113 2.935 1.00 0.86 H new ATOM 0 HD2 PRO A 37 -10.070 -13.658 0.819 1.00 0.75 H new ATOM 0 HD3 PRO A 37 -11.334 -14.857 0.632 1.00 0.75 H new ATOM 596 N PRO A 38 -14.172 -10.777 2.933 1.00 0.67 N ATOM 597 CA PRO A 38 -14.304 -9.433 3.516 1.00 0.65 C ATOM 598 C PRO A 38 -13.608 -9.321 4.870 1.00 0.74 C ATOM 599 O PRO A 38 -13.206 -8.236 5.292 1.00 0.75 O ATOM 600 CB PRO A 38 -15.820 -9.251 3.668 1.00 0.70 C ATOM 601 CG PRO A 38 -16.376 -10.633 3.675 1.00 0.76 C ATOM 602 CD PRO A 38 -15.475 -11.442 2.784 1.00 0.73 C ATOM 0 HA PRO A 38 -13.837 -8.670 2.893 1.00 0.65 H new ATOM 0 HB2 PRO A 38 -16.064 -8.723 4.590 1.00 0.70 H new ATOM 0 HB3 PRO A 38 -16.231 -8.664 2.847 1.00 0.70 H new ATOM 0 HG2 PRO A 38 -16.396 -11.041 4.685 1.00 0.76 H new ATOM 0 HG3 PRO A 38 -17.402 -10.644 3.307 1.00 0.76 H new ATOM 0 HD2 PRO A 38 -15.432 -12.486 3.095 1.00 0.73 H new ATOM 0 HD3 PRO A 38 -15.817 -11.431 1.749 1.00 0.73 H new ATOM 610 N ASP A 39 -13.457 -10.461 5.530 1.00 0.85 N ATOM 611 CA ASP A 39 -12.812 -10.531 6.835 1.00 1.00 C ATOM 612 C ASP A 39 -11.326 -10.206 6.729 1.00 0.95 C ATOM 613 O ASP A 39 -10.686 -9.862 7.722 1.00 1.05 O ATOM 614 CB ASP A 39 -12.992 -11.930 7.430 1.00 1.20 C ATOM 615 CG ASP A 39 -14.428 -12.413 7.378 1.00 1.18 C ATOM 616 OD1 ASP A 39 -14.841 -12.959 6.332 1.00 1.57 O ATOM 617 OD2 ASP A 39 -15.155 -12.243 8.380 1.00 1.53 O ATOM 0 H ASP A 39 -13.778 -11.363 5.177 1.00 0.85 H new ATOM 0 HA ASP A 39 -13.280 -9.793 7.486 1.00 1.00 H new ATOM 0 HB2 ASP A 39 -12.358 -12.633 6.890 1.00 1.20 H new ATOM 0 HB3 ASP A 39 -12.653 -11.925 8.466 1.00 1.20 H new ATOM 622 N GLN A 40 -10.781 -10.323 5.521 1.00 0.91 N ATOM 623 CA GLN A 40 -9.367 -10.051 5.293 1.00 0.94 C ATOM 624 C GLN A 40 -9.178 -8.848 4.375 1.00 0.84 C ATOM 625 O GLN A 40 -8.059 -8.549 3.959 1.00 0.93 O ATOM 626 CB GLN A 40 -8.687 -11.264 4.665 1.00 1.05 C ATOM 627 CG GLN A 40 -8.762 -12.523 5.505 1.00 1.25 C ATOM 628 CD GLN A 40 -7.883 -13.626 4.953 1.00 1.38 C ATOM 629 OE1 GLN A 40 -6.860 -13.356 4.324 1.00 1.98 O ATOM 630 NE2 GLN A 40 -8.269 -14.870 5.182 1.00 1.60 N ATOM 0 H GLN A 40 -11.297 -10.604 4.687 1.00 0.91 H new ATOM 0 HA GLN A 40 -8.915 -9.833 6.261 1.00 0.94 H new ATOM 0 HB2 GLN A 40 -9.143 -11.460 3.695 1.00 1.05 H new ATOM 0 HB3 GLN A 40 -7.639 -11.025 4.482 1.00 1.05 H new ATOM 0 HG2 GLN A 40 -8.459 -12.295 6.527 1.00 1.25 H new ATOM 0 HG3 GLN A 40 -9.795 -12.869 5.548 1.00 1.25 H new ATOM 0 HE21 GLN A 40 -9.124 -15.050 5.708 1.00 1.60 H new ATOM 0 HE22 GLN A 40 -7.712 -15.649 4.833 1.00 1.60 H new ATOM 639 N GLN A 41 -10.264 -8.156 4.075 1.00 0.75 N ATOM 640 CA GLN A 41 -10.203 -7.004 3.189 1.00 0.70 C ATOM 641 C GLN A 41 -9.761 -5.754 3.944 1.00 0.60 C ATOM 642 O GLN A 41 -10.590 -4.982 4.441 1.00 0.68 O ATOM 643 CB GLN A 41 -11.560 -6.764 2.533 1.00 0.73 C ATOM 644 CG GLN A 41 -11.466 -6.335 1.077 1.00 0.74 C ATOM 645 CD GLN A 41 -11.370 -7.510 0.118 1.00 0.74 C ATOM 646 OE1 GLN A 41 -10.678 -7.439 -0.892 1.00 1.32 O ATOM 647 NE2 GLN A 41 -12.081 -8.585 0.417 1.00 0.87 N ATOM 0 H GLN A 41 -11.196 -8.370 4.430 1.00 0.75 H new ATOM 0 HA GLN A 41 -9.466 -7.216 2.414 1.00 0.70 H new ATOM 0 HB2 GLN A 41 -12.151 -7.678 2.596 1.00 0.73 H new ATOM 0 HB3 GLN A 41 -12.095 -5.998 3.095 1.00 0.73 H new ATOM 0 HG2 GLN A 41 -12.341 -5.736 0.823 1.00 0.74 H new ATOM 0 HG3 GLN A 41 -10.593 -5.695 0.948 1.00 0.74 H new ATOM 0 HE21 GLN A 41 -12.644 -8.604 1.267 1.00 0.87 H new ATOM 0 HE22 GLN A 41 -12.066 -9.395 -0.203 1.00 0.87 H new ATOM 656 N ARG A 42 -8.452 -5.567 4.044 1.00 0.54 N ATOM 657 CA ARG A 42 -7.895 -4.409 4.729 1.00 0.55 C ATOM 658 C ARG A 42 -7.697 -3.264 3.740 1.00 0.47 C ATOM 659 O ARG A 42 -6.647 -3.140 3.107 1.00 0.51 O ATOM 660 CB ARG A 42 -6.570 -4.771 5.412 1.00 0.71 C ATOM 661 CG ARG A 42 -5.929 -3.620 6.178 1.00 0.83 C ATOM 662 CD ARG A 42 -4.567 -4.013 6.727 1.00 1.06 C ATOM 663 NE ARG A 42 -3.854 -2.876 7.316 1.00 0.88 N ATOM 664 CZ ARG A 42 -2.546 -2.877 7.577 1.00 0.94 C ATOM 665 NH1 ARG A 42 -1.815 -3.950 7.308 1.00 1.58 N ATOM 666 NH2 ARG A 42 -1.966 -1.807 8.106 1.00 1.55 N ATOM 0 H ARG A 42 -7.755 -6.204 3.658 1.00 0.54 H new ATOM 0 HA ARG A 42 -8.595 -4.087 5.500 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -6.743 -5.599 6.099 1.00 0.71 H new ATOM 0 HB3 ARG A 42 -5.869 -5.125 4.656 1.00 0.71 H new ATOM 0 HG2 ARG A 42 -5.823 -2.757 5.521 1.00 0.83 H new ATOM 0 HG3 ARG A 42 -6.581 -3.318 6.998 1.00 0.83 H new ATOM 0 HD2 ARG A 42 -4.692 -4.790 7.481 1.00 1.06 H new ATOM 0 HD3 ARG A 42 -3.965 -4.441 5.926 1.00 1.06 H new ATOM 0 HE ARG A 42 -4.388 -2.036 7.539 1.00 0.88 H new ATOM 0 HH11 ARG A 42 -2.253 -4.776 6.901 1.00 1.58 H new ATOM 0 HH12 ARG A 42 -0.815 -3.949 7.508 1.00 1.58 H new ATOM 0 HH21 ARG A 42 -2.521 -0.977 8.315 1.00 1.55 H new ATOM 0 HH22 ARG A 42 -0.965 -1.814 8.303 1.00 1.55 H new ATOM 680 N LEU A 43 -8.728 -2.446 3.597 1.00 0.47 N ATOM 681 CA LEU A 43 -8.685 -1.310 2.689 1.00 0.43 C ATOM 682 C LEU A 43 -8.164 -0.075 3.408 1.00 0.47 C ATOM 683 O LEU A 43 -8.759 0.388 4.383 1.00 0.55 O ATOM 684 CB LEU A 43 -10.072 -1.037 2.106 1.00 0.44 C ATOM 685 CG LEU A 43 -10.489 -1.968 0.962 1.00 0.40 C ATOM 686 CD1 LEU A 43 -11.971 -1.810 0.661 1.00 0.50 C ATOM 687 CD2 LEU A 43 -9.660 -1.680 -0.281 1.00 0.40 C ATOM 0 H LEU A 43 -9.609 -2.548 4.101 1.00 0.47 H new ATOM 0 HA LEU A 43 -8.006 -1.550 1.871 1.00 0.43 H new ATOM 0 HB2 LEU A 43 -10.808 -1.117 2.906 1.00 0.44 H new ATOM 0 HB3 LEU A 43 -10.102 -0.008 1.747 1.00 0.44 H new ATOM 0 HG LEU A 43 -10.308 -2.998 1.269 1.00 0.40 H new ATOM 0 HD11 LEU A 43 -12.250 -2.478 -0.154 1.00 0.50 H new ATOM 0 HD12 LEU A 43 -12.551 -2.059 1.549 1.00 0.50 H new ATOM 0 HD13 LEU A 43 -12.176 -0.779 0.371 1.00 0.50 H new ATOM 0 HD21 LEU A 43 -9.967 -2.348 -1.086 1.00 0.40 H new ATOM 0 HD22 LEU A 43 -9.814 -0.646 -0.590 1.00 0.40 H new ATOM 0 HD23 LEU A 43 -8.605 -1.839 -0.059 1.00 0.40 H new ATOM 699 N ILE A 44 -7.043 0.440 2.926 1.00 0.45 N ATOM 700 CA ILE A 44 -6.426 1.619 3.511 1.00 0.50 C ATOM 701 C ILE A 44 -6.660 2.844 2.631 1.00 0.52 C ATOM 702 O ILE A 44 -6.302 2.857 1.448 1.00 0.52 O ATOM 703 CB ILE A 44 -4.908 1.411 3.721 1.00 0.54 C ATOM 704 CG1 ILE A 44 -4.655 0.140 4.540 1.00 0.54 C ATOM 705 CG2 ILE A 44 -4.292 2.622 4.410 1.00 0.63 C ATOM 706 CD1 ILE A 44 -3.190 -0.203 4.699 1.00 0.62 C ATOM 0 H ILE A 44 -6.540 0.056 2.126 1.00 0.45 H new ATOM 0 HA ILE A 44 -6.891 1.784 4.483 1.00 0.50 H new ATOM 0 HB ILE A 44 -4.435 1.296 2.746 1.00 0.54 H new ATOM 0 HG12 ILE A 44 -5.099 0.261 5.528 1.00 0.54 H new ATOM 0 HG13 ILE A 44 -5.165 -0.697 4.062 1.00 0.54 H new ATOM 0 HG21 ILE A 44 -3.224 2.457 4.549 1.00 0.63 H new ATOM 0 HG22 ILE A 44 -4.445 3.508 3.794 1.00 0.63 H new ATOM 0 HG23 ILE A 44 -4.766 2.769 5.381 1.00 0.63 H new ATOM 0 HD11 ILE A 44 -3.092 -1.114 5.290 1.00 0.62 H new ATOM 0 HD12 ILE A 44 -2.744 -0.358 3.717 1.00 0.62 H new ATOM 0 HD13 ILE A 44 -2.678 0.615 5.206 1.00 0.62 H new ATOM 718 N PHE A 45 -7.275 3.861 3.213 1.00 0.56 N ATOM 719 CA PHE A 45 -7.570 5.097 2.510 1.00 0.59 C ATOM 720 C PHE A 45 -6.831 6.263 3.164 1.00 0.68 C ATOM 721 O PHE A 45 -7.223 6.734 4.232 1.00 0.72 O ATOM 722 CB PHE A 45 -9.081 5.351 2.516 1.00 0.65 C ATOM 723 CG PHE A 45 -9.509 6.562 1.739 1.00 0.73 C ATOM 724 CD1 PHE A 45 -9.502 6.551 0.355 1.00 0.79 C ATOM 725 CD2 PHE A 45 -9.923 7.711 2.396 1.00 0.85 C ATOM 726 CE1 PHE A 45 -9.906 7.663 -0.362 1.00 0.92 C ATOM 727 CE2 PHE A 45 -10.329 8.824 1.685 1.00 0.96 C ATOM 728 CZ PHE A 45 -10.317 8.800 0.303 1.00 0.98 C ATOM 0 H PHE A 45 -7.583 3.852 4.185 1.00 0.56 H new ATOM 0 HA PHE A 45 -7.233 5.009 1.477 1.00 0.59 H new ATOM 0 HB2 PHE A 45 -9.586 4.475 2.108 1.00 0.65 H new ATOM 0 HB3 PHE A 45 -9.415 5.460 3.548 1.00 0.65 H new ATOM 0 HD1 PHE A 45 -9.178 5.665 -0.171 1.00 0.79 H new ATOM 0 HD2 PHE A 45 -9.928 7.736 3.476 1.00 0.85 H new ATOM 0 HE1 PHE A 45 -9.900 7.641 -1.442 1.00 0.92 H new ATOM 0 HE2 PHE A 45 -10.655 9.711 2.208 1.00 0.96 H new ATOM 0 HZ PHE A 45 -10.629 9.670 -0.256 1.00 0.98 H new ATOM 738 N ALA A 46 -5.739 6.690 2.534 1.00 0.79 N ATOM 739 CA ALA A 46 -4.921 7.801 3.031 1.00 0.95 C ATOM 740 C ALA A 46 -4.419 7.539 4.454 1.00 0.94 C ATOM 741 O ALA A 46 -4.247 8.467 5.247 1.00 1.10 O ATOM 742 CB ALA A 46 -5.701 9.112 2.969 1.00 1.05 C ATOM 0 H ALA A 46 -5.394 6.279 1.667 1.00 0.79 H new ATOM 0 HA ALA A 46 -4.048 7.883 2.383 1.00 0.95 H new ATOM 0 HB1 ALA A 46 -5.077 9.924 3.342 1.00 1.05 H new ATOM 0 HB2 ALA A 46 -5.986 9.317 1.937 1.00 1.05 H new ATOM 0 HB3 ALA A 46 -6.598 9.031 3.584 1.00 1.05 H new ATOM 748 N GLY A 47 -4.192 6.272 4.773 1.00 0.93 N ATOM 749 CA GLY A 47 -3.710 5.911 6.094 1.00 0.93 C ATOM 750 C GLY A 47 -4.823 5.527 7.047 1.00 0.82 C ATOM 751 O GLY A 47 -4.565 5.040 8.144 1.00 0.91 O ATOM 0 H GLY A 47 -4.333 5.485 4.140 1.00 0.93 H new ATOM 0 HA2 GLY A 47 -3.012 5.078 6.005 1.00 0.93 H new ATOM 0 HA3 GLY A 47 -3.154 6.749 6.513 1.00 0.93 H new ATOM 755 N LYS A 48 -6.061 5.742 6.633 1.00 0.78 N ATOM 756 CA LYS A 48 -7.210 5.411 7.466 1.00 0.77 C ATOM 757 C LYS A 48 -7.854 4.119 6.976 1.00 0.68 C ATOM 758 O LYS A 48 -8.039 3.925 5.777 1.00 0.61 O ATOM 759 CB LYS A 48 -8.231 6.557 7.452 1.00 0.91 C ATOM 760 CG LYS A 48 -7.741 7.833 8.128 1.00 1.51 C ATOM 761 CD LYS A 48 -6.917 8.695 7.179 1.00 2.12 C ATOM 762 CE LYS A 48 -6.088 9.722 7.933 1.00 2.92 C ATOM 763 NZ LYS A 48 -5.171 10.469 7.031 1.00 3.57 N ATOM 0 H LYS A 48 -6.298 6.144 5.726 1.00 0.78 H new ATOM 0 HA LYS A 48 -6.870 5.267 8.492 1.00 0.77 H new ATOM 0 HB2 LYS A 48 -8.493 6.783 6.419 1.00 0.91 H new ATOM 0 HB3 LYS A 48 -9.143 6.223 7.947 1.00 0.91 H new ATOM 0 HG2 LYS A 48 -8.596 8.405 8.489 1.00 1.51 H new ATOM 0 HG3 LYS A 48 -7.140 7.575 9.000 1.00 1.51 H new ATOM 0 HD2 LYS A 48 -6.259 8.059 6.587 1.00 2.12 H new ATOM 0 HD3 LYS A 48 -7.581 9.204 6.480 1.00 2.12 H new ATOM 0 HE2 LYS A 48 -6.752 10.424 8.437 1.00 2.92 H new ATOM 0 HE3 LYS A 48 -5.507 9.221 8.707 1.00 2.92 H new ATOM 0 HZ1 LYS A 48 -4.397 10.883 7.589 1.00 3.57 H new ATOM 0 HZ2 LYS A 48 -4.777 9.819 6.321 1.00 3.57 H new ATOM 0 HZ3 LYS A 48 -5.697 11.228 6.552 1.00 3.57 H new ATOM 777 N GLN A 49 -8.173 3.230 7.902 1.00 0.77 N ATOM 778 CA GLN A 49 -8.790 1.959 7.557 1.00 0.74 C ATOM 779 C GLN A 49 -10.284 2.137 7.308 1.00 0.72 C ATOM 780 O GLN A 49 -10.959 2.885 8.018 1.00 0.78 O ATOM 781 CB GLN A 49 -8.558 0.923 8.666 1.00 0.80 C ATOM 782 CG GLN A 49 -9.178 1.302 10.005 1.00 1.06 C ATOM 783 CD GLN A 49 -8.292 2.217 10.826 1.00 1.51 C ATOM 784 OE1 GLN A 49 -7.078 2.041 10.885 1.00 1.83 O ATOM 785 NE2 GLN A 49 -8.892 3.223 11.441 1.00 2.01 N ATOM 0 H GLN A 49 -8.015 3.365 8.901 1.00 0.77 H new ATOM 0 HA GLN A 49 -8.325 1.596 6.641 1.00 0.74 H new ATOM 0 HB2 GLN A 49 -8.967 -0.035 8.346 1.00 0.80 H new ATOM 0 HB3 GLN A 49 -7.485 0.783 8.800 1.00 0.80 H new ATOM 0 HG2 GLN A 49 -10.136 1.792 9.831 1.00 1.06 H new ATOM 0 HG3 GLN A 49 -9.383 0.396 10.575 1.00 1.06 H new ATOM 0 HE21 GLN A 49 -9.903 3.335 11.368 1.00 2.01 H new ATOM 0 HE22 GLN A 49 -8.343 3.886 11.988 1.00 2.01 H new ATOM 794 N LEU A 50 -10.791 1.468 6.284 1.00 0.68 N ATOM 795 CA LEU A 50 -12.206 1.546 5.957 1.00 0.68 C ATOM 796 C LEU A 50 -12.995 0.539 6.787 1.00 0.71 C ATOM 797 O LEU A 50 -12.973 -0.669 6.512 1.00 0.69 O ATOM 798 CB LEU A 50 -12.437 1.297 4.463 1.00 0.64 C ATOM 799 CG LEU A 50 -11.746 2.283 3.515 1.00 0.62 C ATOM 800 CD1 LEU A 50 -12.209 2.055 2.086 1.00 0.56 C ATOM 801 CD2 LEU A 50 -12.015 3.717 3.936 1.00 0.72 C ATOM 0 H LEU A 50 -10.245 0.867 5.667 1.00 0.68 H new ATOM 0 HA LEU A 50 -12.555 2.551 6.193 1.00 0.68 H new ATOM 0 HB2 LEU A 50 -12.096 0.290 4.223 1.00 0.64 H new ATOM 0 HB3 LEU A 50 -13.509 1.325 4.269 1.00 0.64 H new ATOM 0 HG LEU A 50 -10.671 2.109 3.566 1.00 0.62 H new ATOM 0 HD11 LEU A 50 -11.710 2.763 1.424 1.00 0.56 H new ATOM 0 HD12 LEU A 50 -11.963 1.038 1.782 1.00 0.56 H new ATOM 0 HD13 LEU A 50 -13.288 2.201 2.025 1.00 0.56 H new ATOM 0 HD21 LEU A 50 -11.514 4.398 3.248 1.00 0.72 H new ATOM 0 HD22 LEU A 50 -13.088 3.906 3.917 1.00 0.72 H new ATOM 0 HD23 LEU A 50 -11.636 3.877 4.945 1.00 0.72 H new ATOM 813 N GLU A 51 -13.677 1.041 7.808 1.00 0.76 N ATOM 814 CA GLU A 51 -14.471 0.201 8.697 1.00 0.79 C ATOM 815 C GLU A 51 -15.747 -0.268 8.006 1.00 0.76 C ATOM 816 O GLU A 51 -16.300 0.433 7.160 1.00 0.77 O ATOM 817 CB GLU A 51 -14.831 0.966 9.971 1.00 0.88 C ATOM 818 CG GLU A 51 -13.629 1.539 10.697 1.00 0.94 C ATOM 819 CD GLU A 51 -13.965 2.804 11.454 1.00 1.04 C ATOM 820 OE1 GLU A 51 -14.088 3.867 10.815 1.00 1.33 O ATOM 821 OE2 GLU A 51 -14.108 2.746 12.693 1.00 1.25 O ATOM 0 H GLU A 51 -13.696 2.033 8.043 1.00 0.76 H new ATOM 0 HA GLU A 51 -13.872 -0.672 8.958 1.00 0.79 H new ATOM 0 HB2 GLU A 51 -15.512 1.778 9.717 1.00 0.88 H new ATOM 0 HB3 GLU A 51 -15.368 0.299 10.645 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -13.239 0.795 11.392 1.00 0.94 H new ATOM 0 HG3 GLU A 51 -12.838 1.748 9.977 1.00 0.94 H new ATOM 828 N ASP A 52 -16.207 -1.453 8.379 1.00 0.77 N ATOM 829 CA ASP A 52 -17.419 -2.032 7.805 1.00 0.77 C ATOM 830 C ASP A 52 -18.646 -1.194 8.144 1.00 0.82 C ATOM 831 O ASP A 52 -19.572 -1.085 7.340 1.00 0.81 O ATOM 832 CB ASP A 52 -17.616 -3.464 8.311 1.00 0.81 C ATOM 833 CG ASP A 52 -17.652 -3.549 9.822 1.00 1.32 C ATOM 834 OD1 ASP A 52 -16.568 -3.587 10.443 1.00 1.87 O ATOM 835 OD2 ASP A 52 -18.760 -3.569 10.396 1.00 1.66 O ATOM 0 H ASP A 52 -15.757 -2.039 9.082 1.00 0.77 H new ATOM 0 HA ASP A 52 -17.300 -2.045 6.722 1.00 0.77 H new ATOM 0 HB2 ASP A 52 -18.546 -3.863 7.906 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -16.809 -4.092 7.935 1.00 0.81 H new ATOM 840 N GLY A 53 -18.641 -0.584 9.323 1.00 0.93 N ATOM 841 CA GLY A 53 -19.765 0.228 9.749 1.00 1.01 C ATOM 842 C GLY A 53 -19.679 1.660 9.259 1.00 0.95 C ATOM 843 O GLY A 53 -20.042 2.596 9.977 1.00 1.04 O ATOM 0 H GLY A 53 -17.875 -0.638 9.994 1.00 0.93 H new ATOM 0 HA2 GLY A 53 -20.689 -0.220 9.384 1.00 1.01 H new ATOM 0 HA3 GLY A 53 -19.817 0.225 10.838 1.00 1.01 H new ATOM 847 N ARG A 54 -19.204 1.833 8.037 1.00 0.92 N ATOM 848 CA ARG A 54 -19.066 3.154 7.438 1.00 0.87 C ATOM 849 C ARG A 54 -19.576 3.135 6.001 1.00 0.83 C ATOM 850 O ARG A 54 -19.947 2.079 5.481 1.00 0.82 O ATOM 851 CB ARG A 54 -17.604 3.597 7.456 1.00 0.87 C ATOM 852 CG ARG A 54 -17.002 3.737 8.847 1.00 0.92 C ATOM 853 CD ARG A 54 -17.215 5.129 9.417 1.00 1.02 C ATOM 854 NE ARG A 54 -16.044 5.599 10.157 1.00 1.23 N ATOM 855 CZ ARG A 54 -15.607 6.860 10.153 1.00 1.64 C ATOM 856 NH1 ARG A 54 -16.178 7.771 9.379 1.00 1.89 N ATOM 857 NH2 ARG A 54 -14.568 7.200 10.904 1.00 1.95 N ATOM 0 H ARG A 54 -18.904 1.068 7.433 1.00 0.92 H new ATOM 0 HA ARG A 54 -19.658 3.860 8.021 1.00 0.87 H new ATOM 0 HB2 ARG A 54 -17.013 2.878 6.889 1.00 0.87 H new ATOM 0 HB3 ARG A 54 -17.521 4.554 6.941 1.00 0.87 H new ATOM 0 HG2 ARG A 54 -17.450 2.999 9.513 1.00 0.92 H new ATOM 0 HG3 ARG A 54 -15.934 3.521 8.804 1.00 0.92 H new ATOM 0 HD2 ARG A 54 -17.435 5.824 8.606 1.00 1.02 H new ATOM 0 HD3 ARG A 54 -18.083 5.123 10.076 1.00 1.02 H new ATOM 0 HE ARG A 54 -15.527 4.918 10.713 1.00 1.23 H new ATOM 0 HH11 ARG A 54 -16.960 7.512 8.778 1.00 1.89 H new ATOM 0 HH12 ARG A 54 -15.836 8.732 9.384 1.00 1.89 H new ATOM 0 HH21 ARG A 54 -14.105 6.499 11.482 1.00 1.95 H new ATOM 0 HH22 ARG A 54 -14.232 8.163 10.903 1.00 1.95 H new ATOM 871 N THR A 55 -19.582 4.294 5.361 1.00 0.84 N ATOM 872 CA THR A 55 -20.043 4.399 3.984 1.00 0.82 C ATOM 873 C THR A 55 -19.112 5.285 3.159 1.00 0.80 C ATOM 874 O THR A 55 -18.315 6.045 3.713 1.00 0.83 O ATOM 875 CB THR A 55 -21.475 4.963 3.927 1.00 0.89 C ATOM 876 OG1 THR A 55 -21.765 5.683 5.135 1.00 1.07 O ATOM 877 CG2 THR A 55 -22.495 3.851 3.739 1.00 0.85 C ATOM 0 H THR A 55 -19.273 5.175 5.772 1.00 0.84 H new ATOM 0 HA THR A 55 -20.039 3.395 3.561 1.00 0.82 H new ATOM 0 HB THR A 55 -21.540 5.637 3.073 1.00 0.89 H new ATOM 0 HG1 THR A 55 -22.676 6.041 5.092 1.00 1.07 H new ATOM 0 HG21 THR A 55 -23.497 4.279 3.702 1.00 0.85 H new ATOM 0 HG22 THR A 55 -22.291 3.324 2.807 1.00 0.85 H new ATOM 0 HG23 THR A 55 -22.429 3.152 4.573 1.00 0.85 H new ATOM 885 N LEU A 56 -19.219 5.192 1.839 1.00 0.78 N ATOM 886 CA LEU A 56 -18.386 5.983 0.937 1.00 0.77 C ATOM 887 C LEU A 56 -18.597 7.479 1.165 1.00 0.83 C ATOM 888 O LEU A 56 -17.639 8.239 1.317 1.00 0.88 O ATOM 889 CB LEU A 56 -18.711 5.633 -0.515 1.00 0.77 C ATOM 890 CG LEU A 56 -18.526 4.159 -0.886 1.00 0.73 C ATOM 891 CD1 LEU A 56 -19.222 3.854 -2.199 1.00 0.91 C ATOM 892 CD2 LEU A 56 -17.048 3.810 -0.978 1.00 1.12 C ATOM 0 H LEU A 56 -19.878 4.573 1.366 1.00 0.78 H new ATOM 0 HA LEU A 56 -17.342 5.747 1.144 1.00 0.77 H new ATOM 0 HB2 LEU A 56 -19.744 5.916 -0.718 1.00 0.77 H new ATOM 0 HB3 LEU A 56 -18.081 6.237 -1.168 1.00 0.77 H new ATOM 0 HG LEU A 56 -18.975 3.549 -0.102 1.00 0.73 H new ATOM 0 HD11 LEU A 56 -19.082 2.803 -2.450 1.00 0.91 H new ATOM 0 HD12 LEU A 56 -20.287 4.065 -2.104 1.00 0.91 H new ATOM 0 HD13 LEU A 56 -18.798 4.475 -2.988 1.00 0.91 H new ATOM 0 HD21 LEU A 56 -16.938 2.758 -1.243 1.00 1.12 H new ATOM 0 HD22 LEU A 56 -16.575 4.428 -1.742 1.00 1.12 H new ATOM 0 HD23 LEU A 56 -16.570 3.994 -0.016 1.00 1.12 H new ATOM 904 N SER A 57 -19.858 7.889 1.207 1.00 0.84 N ATOM 905 CA SER A 57 -20.202 9.289 1.417 1.00 0.90 C ATOM 906 C SER A 57 -19.801 9.752 2.818 1.00 0.95 C ATOM 907 O SER A 57 -19.511 10.931 3.036 1.00 1.03 O ATOM 908 CB SER A 57 -21.702 9.489 1.196 1.00 0.93 C ATOM 909 OG SER A 57 -22.054 9.221 -0.149 1.00 1.15 O ATOM 0 H SER A 57 -20.661 7.270 1.098 1.00 0.84 H new ATOM 0 HA SER A 57 -19.649 9.893 0.698 1.00 0.90 H new ATOM 0 HB2 SER A 57 -22.263 8.832 1.861 1.00 0.93 H new ATOM 0 HB3 SER A 57 -21.978 10.512 1.452 1.00 0.93 H new ATOM 0 HG SER A 57 -22.221 8.262 -0.258 1.00 1.15 H new ATOM 915 N ASP A 58 -19.765 8.813 3.753 1.00 0.93 N ATOM 916 CA ASP A 58 -19.396 9.111 5.131 1.00 0.99 C ATOM 917 C ASP A 58 -17.923 9.494 5.217 1.00 0.99 C ATOM 918 O ASP A 58 -17.555 10.452 5.900 1.00 1.06 O ATOM 919 CB ASP A 58 -19.688 7.906 6.025 1.00 1.04 C ATOM 920 CG ASP A 58 -18.946 7.955 7.342 1.00 1.27 C ATOM 921 OD1 ASP A 58 -19.415 8.640 8.273 1.00 1.93 O ATOM 922 OD2 ASP A 58 -17.898 7.296 7.449 1.00 1.45 O ATOM 0 H ASP A 58 -19.988 7.833 3.581 1.00 0.93 H new ATOM 0 HA ASP A 58 -19.991 9.956 5.478 1.00 0.99 H new ATOM 0 HB2 ASP A 58 -20.759 7.856 6.219 1.00 1.04 H new ATOM 0 HB3 ASP A 58 -19.417 6.993 5.495 1.00 1.04 H new ATOM 927 N TYR A 59 -17.088 8.756 4.499 1.00 0.95 N ATOM 928 CA TYR A 59 -15.655 9.025 4.476 1.00 0.97 C ATOM 929 C TYR A 59 -15.344 10.213 3.566 1.00 1.00 C ATOM 930 O TYR A 59 -14.204 10.676 3.511 1.00 1.06 O ATOM 931 CB TYR A 59 -14.876 7.794 3.996 1.00 0.94 C ATOM 932 CG TYR A 59 -14.604 6.768 5.073 1.00 0.89 C ATOM 933 CD1 TYR A 59 -13.853 7.088 6.199 1.00 0.91 C ATOM 934 CD2 TYR A 59 -15.090 5.472 4.956 1.00 0.87 C ATOM 935 CE1 TYR A 59 -13.594 6.141 7.175 1.00 0.91 C ATOM 936 CE2 TYR A 59 -14.837 4.525 5.927 1.00 0.88 C ATOM 937 CZ TYR A 59 -14.090 4.863 7.034 1.00 0.88 C ATOM 938 OH TYR A 59 -13.839 3.911 7.999 1.00 0.93 O ATOM 0 H TYR A 59 -17.378 7.965 3.924 1.00 0.95 H new ATOM 0 HA TYR A 59 -15.346 9.264 5.493 1.00 0.97 H new ATOM 0 HB2 TYR A 59 -15.434 7.318 3.190 1.00 0.94 H new ATOM 0 HB3 TYR A 59 -13.925 8.122 3.575 1.00 0.94 H new ATOM 0 HD1 TYR A 59 -13.466 8.090 6.314 1.00 0.91 H new ATOM 0 HD2 TYR A 59 -15.676 5.201 4.090 1.00 0.87 H new ATOM 0 HE1 TYR A 59 -13.006 6.402 8.043 1.00 0.91 H new ATOM 0 HE2 TYR A 59 -15.223 3.522 5.820 1.00 0.88 H new ATOM 0 HH TYR A 59 -14.007 4.292 8.886 1.00 0.93 H new ATOM 948 N ASN A 60 -16.374 10.696 2.866 1.00 0.98 N ATOM 949 CA ASN A 60 -16.243 11.825 1.937 1.00 1.03 C ATOM 950 C ASN A 60 -15.293 11.453 0.806 1.00 1.00 C ATOM 951 O ASN A 60 -14.468 12.256 0.371 1.00 1.07 O ATOM 952 CB ASN A 60 -15.755 13.086 2.663 1.00 1.14 C ATOM 953 CG ASN A 60 -16.338 14.358 2.072 1.00 1.17 C ATOM 954 OD1 ASN A 60 -15.776 14.953 1.150 1.00 1.43 O ATOM 955 ND2 ASN A 60 -17.466 14.796 2.612 1.00 1.27 N ATOM 0 H ASN A 60 -17.320 10.318 2.926 1.00 0.98 H new ATOM 0 HA ASN A 60 -17.225 12.046 1.518 1.00 1.03 H new ATOM 0 HB2 ASN A 60 -16.024 13.022 3.717 1.00 1.14 H new ATOM 0 HB3 ASN A 60 -14.667 13.132 2.614 1.00 1.14 H new ATOM 0 HD21 ASN A 60 -17.898 15.653 2.266 1.00 1.27 H new ATOM 0 HD22 ASN A 60 -17.902 14.277 3.374 1.00 1.27 H new ATOM 962 N ILE A 61 -15.430 10.222 0.335 1.00 0.92 N ATOM 963 CA ILE A 61 -14.589 9.704 -0.730 1.00 0.90 C ATOM 964 C ILE A 61 -14.953 10.331 -2.073 1.00 0.96 C ATOM 965 O ILE A 61 -16.105 10.277 -2.508 1.00 1.00 O ATOM 966 CB ILE A 61 -14.699 8.166 -0.819 1.00 0.82 C ATOM 967 CG1 ILE A 61 -14.256 7.533 0.504 1.00 0.81 C ATOM 968 CG2 ILE A 61 -13.865 7.630 -1.974 1.00 0.83 C ATOM 969 CD1 ILE A 61 -14.361 6.026 0.524 1.00 0.77 C ATOM 0 H ILE A 61 -16.124 9.558 0.679 1.00 0.92 H new ATOM 0 HA ILE A 61 -13.559 9.969 -0.493 1.00 0.90 H new ATOM 0 HB ILE A 61 -15.740 7.902 -1.005 1.00 0.82 H new ATOM 0 HG12 ILE A 61 -13.223 7.819 0.705 1.00 0.81 H new ATOM 0 HG13 ILE A 61 -14.863 7.941 1.312 1.00 0.81 H new ATOM 0 HG21 ILE A 61 -13.958 6.545 -2.017 1.00 0.83 H new ATOM 0 HG22 ILE A 61 -14.219 8.062 -2.910 1.00 0.83 H new ATOM 0 HG23 ILE A 61 -12.819 7.899 -1.823 1.00 0.83 H new ATOM 0 HD11 ILE A 61 -14.030 5.651 1.493 1.00 0.77 H new ATOM 0 HD12 ILE A 61 -15.397 5.731 0.355 1.00 0.77 H new ATOM 0 HD13 ILE A 61 -13.732 5.607 -0.261 1.00 0.77 H new ATOM 981 N GLN A 62 -13.961 10.938 -2.710 1.00 1.01 N ATOM 982 CA GLN A 62 -14.151 11.575 -4.004 1.00 1.09 C ATOM 983 C GLN A 62 -14.096 10.539 -5.125 1.00 1.01 C ATOM 984 O GLN A 62 -13.620 9.420 -4.923 1.00 0.95 O ATOM 985 CB GLN A 62 -13.072 12.641 -4.221 1.00 1.21 C ATOM 986 CG GLN A 62 -13.623 14.024 -4.531 1.00 1.47 C ATOM 987 CD GLN A 62 -14.146 14.143 -5.948 1.00 1.79 C ATOM 988 OE1 GLN A 62 -15.316 13.868 -6.219 1.00 2.18 O ATOM 989 NE2 GLN A 62 -13.281 14.549 -6.866 1.00 2.18 N ATOM 0 H GLN A 62 -13.010 11.002 -2.347 1.00 1.01 H new ATOM 0 HA GLN A 62 -15.132 12.049 -4.020 1.00 1.09 H new ATOM 0 HB2 GLN A 62 -12.450 12.701 -3.328 1.00 1.21 H new ATOM 0 HB3 GLN A 62 -12.425 12.327 -5.040 1.00 1.21 H new ATOM 0 HG2 GLN A 62 -14.426 14.255 -3.831 1.00 1.47 H new ATOM 0 HG3 GLN A 62 -12.840 14.766 -4.374 1.00 1.47 H new ATOM 0 HE21 GLN A 62 -12.321 14.767 -6.601 1.00 2.18 H new ATOM 0 HE22 GLN A 62 -13.576 14.644 -7.838 1.00 2.18 H new ATOM 998 N LYS A 63 -14.581 10.918 -6.299 1.00 1.04 N ATOM 999 CA LYS A 63 -14.584 10.029 -7.455 1.00 1.05 C ATOM 1000 C LYS A 63 -13.161 9.781 -7.952 1.00 0.99 C ATOM 1001 O LYS A 63 -12.303 10.661 -7.859 1.00 1.00 O ATOM 1002 CB LYS A 63 -15.436 10.627 -8.579 1.00 1.19 C ATOM 1003 CG LYS A 63 -14.948 11.983 -9.061 1.00 1.25 C ATOM 1004 CD LYS A 63 -15.925 12.619 -10.034 1.00 1.54 C ATOM 1005 CE LYS A 63 -15.415 13.965 -10.518 1.00 1.61 C ATOM 1006 NZ LYS A 63 -16.437 14.702 -11.305 1.00 2.42 N ATOM 0 H LYS A 63 -14.980 11.840 -6.478 1.00 1.04 H new ATOM 0 HA LYS A 63 -15.014 9.075 -7.151 1.00 1.05 H new ATOM 0 HB2 LYS A 63 -15.448 9.935 -9.421 1.00 1.19 H new ATOM 0 HB3 LYS A 63 -16.464 10.724 -8.231 1.00 1.19 H new ATOM 0 HG2 LYS A 63 -14.805 12.643 -8.206 1.00 1.25 H new ATOM 0 HG3 LYS A 63 -13.977 11.870 -9.543 1.00 1.25 H new ATOM 0 HD2 LYS A 63 -16.078 11.957 -10.886 1.00 1.54 H new ATOM 0 HD3 LYS A 63 -16.894 12.746 -9.551 1.00 1.54 H new ATOM 0 HE2 LYS A 63 -15.115 14.568 -9.661 1.00 1.61 H new ATOM 0 HE3 LYS A 63 -14.525 13.816 -11.130 1.00 1.61 H new ATOM 0 HZ1 LYS A 63 -16.045 15.614 -11.615 1.00 2.42 H new ATOM 0 HZ2 LYS A 63 -16.706 14.140 -12.138 1.00 2.42 H new ATOM 0 HZ3 LYS A 63 -17.277 14.868 -10.714 1.00 2.42 H new ATOM 1020 N GLU A 64 -12.923 8.574 -8.466 1.00 1.01 N ATOM 1021 CA GLU A 64 -11.608 8.177 -8.983 1.00 1.02 C ATOM 1022 C GLU A 64 -10.526 8.308 -7.913 1.00 0.93 C ATOM 1023 O GLU A 64 -9.439 8.830 -8.166 1.00 1.02 O ATOM 1024 CB GLU A 64 -11.227 9.002 -10.216 1.00 1.16 C ATOM 1025 CG GLU A 64 -11.907 8.544 -11.495 1.00 1.41 C ATOM 1026 CD GLU A 64 -13.276 9.156 -11.679 1.00 1.38 C ATOM 1027 OE1 GLU A 64 -13.352 10.335 -12.087 1.00 2.13 O ATOM 1028 OE2 GLU A 64 -14.283 8.461 -11.433 1.00 1.50 O ATOM 0 H GLU A 64 -13.632 7.844 -8.537 1.00 1.01 H new ATOM 0 HA GLU A 64 -11.680 7.129 -9.273 1.00 1.02 H new ATOM 0 HB2 GLU A 64 -11.480 10.047 -10.035 1.00 1.16 H new ATOM 0 HB3 GLU A 64 -10.147 8.955 -10.353 1.00 1.16 H new ATOM 0 HG2 GLU A 64 -11.280 8.803 -12.348 1.00 1.41 H new ATOM 0 HG3 GLU A 64 -11.998 7.458 -11.485 1.00 1.41 H new ATOM 1035 N SER A 65 -10.830 7.826 -6.721 1.00 0.88 N ATOM 1036 CA SER A 65 -9.901 7.882 -5.609 1.00 0.92 C ATOM 1037 C SER A 65 -8.958 6.682 -5.629 1.00 0.80 C ATOM 1038 O SER A 65 -9.331 5.596 -6.081 1.00 0.74 O ATOM 1039 CB SER A 65 -10.690 7.912 -4.305 1.00 1.08 C ATOM 1040 OG SER A 65 -11.976 7.348 -4.498 1.00 1.07 O ATOM 0 H SER A 65 -11.723 7.387 -6.498 1.00 0.88 H new ATOM 0 HA SER A 65 -9.295 8.784 -5.694 1.00 0.92 H new ATOM 0 HB2 SER A 65 -10.154 7.358 -3.534 1.00 1.08 H new ATOM 0 HB3 SER A 65 -10.784 8.939 -3.952 1.00 1.08 H new ATOM 0 HG SER A 65 -12.568 8.015 -4.904 1.00 1.07 H new ATOM 1046 N THR A 66 -7.736 6.886 -5.155 1.00 0.82 N ATOM 1047 CA THR A 66 -6.751 5.819 -5.111 1.00 0.77 C ATOM 1048 C THR A 66 -6.810 5.076 -3.777 1.00 0.67 C ATOM 1049 O THR A 66 -6.313 5.562 -2.758 1.00 0.72 O ATOM 1050 CB THR A 66 -5.328 6.372 -5.326 1.00 0.95 C ATOM 1051 OG1 THR A 66 -5.353 7.412 -6.316 1.00 1.11 O ATOM 1052 CG2 THR A 66 -4.381 5.270 -5.774 1.00 1.37 C ATOM 0 H THR A 66 -7.405 7.782 -4.796 1.00 0.82 H new ATOM 0 HA THR A 66 -6.987 5.124 -5.917 1.00 0.77 H new ATOM 0 HB THR A 66 -4.972 6.775 -4.378 1.00 0.95 H new ATOM 0 HG1 THR A 66 -5.212 8.280 -5.883 1.00 1.11 H new ATOM 0 HG21 THR A 66 -3.383 5.684 -5.919 1.00 1.37 H new ATOM 0 HG22 THR A 66 -4.343 4.491 -5.013 1.00 1.37 H new ATOM 0 HG23 THR A 66 -4.737 4.844 -6.712 1.00 1.37 H new ATOM 1060 N LEU A 67 -7.438 3.910 -3.782 1.00 0.60 N ATOM 1061 CA LEU A 67 -7.551 3.102 -2.575 1.00 0.54 C ATOM 1062 C LEU A 67 -6.450 2.052 -2.543 1.00 0.48 C ATOM 1063 O LEU A 67 -5.934 1.656 -3.585 1.00 0.51 O ATOM 1064 CB LEU A 67 -8.925 2.425 -2.497 1.00 0.53 C ATOM 1065 CG LEU A 67 -10.069 3.302 -1.974 1.00 0.60 C ATOM 1066 CD1 LEU A 67 -10.562 4.252 -3.055 1.00 0.73 C ATOM 1067 CD2 LEU A 67 -11.211 2.438 -1.469 1.00 0.77 C ATOM 0 H LEU A 67 -7.877 3.502 -4.607 1.00 0.60 H new ATOM 0 HA LEU A 67 -7.443 3.760 -1.712 1.00 0.54 H new ATOM 0 HB2 LEU A 67 -9.191 2.068 -3.492 1.00 0.53 H new ATOM 0 HB3 LEU A 67 -8.842 1.548 -1.855 1.00 0.53 H new ATOM 0 HG LEU A 67 -9.688 3.898 -1.144 1.00 0.60 H new ATOM 0 HD11 LEU A 67 -11.373 4.863 -2.660 1.00 0.73 H new ATOM 0 HD12 LEU A 67 -9.743 4.897 -3.373 1.00 0.73 H new ATOM 0 HD13 LEU A 67 -10.923 3.677 -3.908 1.00 0.73 H new ATOM 0 HD21 LEU A 67 -12.015 3.076 -1.101 1.00 0.77 H new ATOM 0 HD22 LEU A 67 -11.584 1.816 -2.283 1.00 0.77 H new ATOM 0 HD23 LEU A 67 -10.855 1.801 -0.660 1.00 0.77 H new ATOM 1079 N HIS A 68 -6.085 1.607 -1.351 1.00 0.49 N ATOM 1080 CA HIS A 68 -5.037 0.605 -1.206 1.00 0.49 C ATOM 1081 C HIS A 68 -5.595 -0.660 -0.565 1.00 0.46 C ATOM 1082 O HIS A 68 -6.183 -0.608 0.516 1.00 0.50 O ATOM 1083 CB HIS A 68 -3.880 1.158 -0.366 1.00 0.61 C ATOM 1084 CG HIS A 68 -3.037 2.175 -1.083 1.00 1.03 C ATOM 1085 ND1 HIS A 68 -1.691 2.002 -1.321 1.00 1.45 N ATOM 1086 CD2 HIS A 68 -3.354 3.387 -1.607 1.00 1.62 C ATOM 1087 CE1 HIS A 68 -1.218 3.059 -1.959 1.00 2.01 C ATOM 1088 NE2 HIS A 68 -2.205 3.912 -2.143 1.00 2.11 N ATOM 0 H HIS A 68 -6.496 1.921 -0.472 1.00 0.49 H new ATOM 0 HA HIS A 68 -4.660 0.356 -2.198 1.00 0.49 H new ATOM 0 HB2 HIS A 68 -4.285 1.610 0.539 1.00 0.61 H new ATOM 0 HB3 HIS A 68 -3.244 0.330 -0.052 1.00 0.61 H new ATOM 0 HD2 HIS A 68 -4.329 3.851 -1.603 1.00 1.62 H new ATOM 0 HE1 HIS A 68 -0.195 3.199 -2.276 1.00 2.01 H new ATOM 0 HE2 HIS A 68 -2.128 4.816 -2.609 1.00 2.11 H new ATOM 1097 N LEU A 69 -5.420 -1.790 -1.239 1.00 0.44 N ATOM 1098 CA LEU A 69 -5.911 -3.067 -0.735 1.00 0.44 C ATOM 1099 C LEU A 69 -4.763 -3.939 -0.238 1.00 0.49 C ATOM 1100 O LEU A 69 -3.879 -4.330 -1.009 1.00 0.52 O ATOM 1101 CB LEU A 69 -6.696 -3.811 -1.821 1.00 0.48 C ATOM 1102 CG LEU A 69 -7.183 -5.216 -1.444 1.00 0.57 C ATOM 1103 CD1 LEU A 69 -8.105 -5.160 -0.236 1.00 0.57 C ATOM 1104 CD2 LEU A 69 -7.890 -5.864 -2.622 1.00 0.64 C ATOM 0 H LEU A 69 -4.941 -1.848 -2.138 1.00 0.44 H new ATOM 0 HA LEU A 69 -6.576 -2.858 0.103 1.00 0.44 H new ATOM 0 HB2 LEU A 69 -7.561 -3.208 -2.096 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -6.068 -3.890 -2.708 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.315 -5.821 -1.183 1.00 0.57 H new ATOM 0 HD11 LEU A 69 -8.439 -6.167 0.014 1.00 0.57 H new ATOM 0 HD12 LEU A 69 -7.568 -4.734 0.612 1.00 0.57 H new ATOM 0 HD13 LEU A 69 -8.970 -4.538 -0.467 1.00 0.57 H new ATOM 0 HD21 LEU A 69 -8.230 -6.860 -2.339 1.00 0.64 H new ATOM 0 HD22 LEU A 69 -8.748 -5.256 -2.911 1.00 0.64 H new ATOM 0 HD23 LEU A 69 -7.200 -5.941 -3.463 1.00 0.64 H new ATOM 1116 N VAL A 70 -4.779 -4.227 1.055 1.00 0.56 N ATOM 1117 CA VAL A 70 -3.758 -5.055 1.674 1.00 0.66 C ATOM 1118 C VAL A 70 -4.429 -6.207 2.419 1.00 0.74 C ATOM 1119 O VAL A 70 -5.606 -6.118 2.768 1.00 0.92 O ATOM 1120 CB VAL A 70 -2.884 -4.241 2.660 1.00 0.71 C ATOM 1121 CG1 VAL A 70 -1.605 -4.991 3.006 1.00 0.99 C ATOM 1122 CG2 VAL A 70 -2.551 -2.871 2.083 1.00 0.97 C ATOM 0 H VAL A 70 -5.496 -3.895 1.700 1.00 0.56 H new ATOM 0 HA VAL A 70 -3.108 -5.439 0.888 1.00 0.66 H new ATOM 0 HB VAL A 70 -3.458 -4.103 3.576 1.00 0.71 H new ATOM 0 HG11 VAL A 70 -1.011 -4.396 3.700 1.00 0.99 H new ATOM 0 HG12 VAL A 70 -1.857 -5.945 3.469 1.00 0.99 H new ATOM 0 HG13 VAL A 70 -1.031 -5.169 2.097 1.00 0.99 H new ATOM 0 HG21 VAL A 70 -1.937 -2.317 2.793 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -2.005 -2.993 1.148 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -3.473 -2.321 1.895 1.00 0.97 H new ATOM 1132 N LEU A 71 -3.701 -7.291 2.633 1.00 0.77 N ATOM 1133 CA LEU A 71 -4.244 -8.439 3.341 1.00 0.87 C ATOM 1134 C LEU A 71 -4.211 -8.194 4.847 1.00 0.90 C ATOM 1135 O LEU A 71 -3.554 -7.259 5.319 1.00 1.01 O ATOM 1136 CB LEU A 71 -3.466 -9.713 2.991 1.00 0.95 C ATOM 1137 CG LEU A 71 -3.688 -10.246 1.572 1.00 1.05 C ATOM 1138 CD1 LEU A 71 -2.663 -9.662 0.608 1.00 1.26 C ATOM 1139 CD2 LEU A 71 -3.629 -11.768 1.560 1.00 1.52 C ATOM 0 H LEU A 71 -2.734 -7.400 2.327 1.00 0.77 H new ATOM 0 HA LEU A 71 -5.280 -8.576 3.029 1.00 0.87 H new ATOM 0 HB2 LEU A 71 -2.402 -9.518 3.126 1.00 0.95 H new ATOM 0 HB3 LEU A 71 -3.740 -10.493 3.701 1.00 0.95 H new ATOM 0 HG LEU A 71 -4.679 -9.936 1.241 1.00 1.05 H new ATOM 0 HD11 LEU A 71 -2.840 -10.055 -0.393 1.00 1.26 H new ATOM 0 HD12 LEU A 71 -2.755 -8.576 0.593 1.00 1.26 H new ATOM 0 HD13 LEU A 71 -1.660 -9.937 0.933 1.00 1.26 H new ATOM 0 HD21 LEU A 71 -3.789 -12.130 0.544 1.00 1.52 H new ATOM 0 HD22 LEU A 71 -2.652 -12.097 1.913 1.00 1.52 H new ATOM 0 HD23 LEU A 71 -4.404 -12.167 2.214 1.00 1.52 H new ATOM 1151 N ARG A 72 -4.923 -9.029 5.592 1.00 0.98 N ATOM 1152 CA ARG A 72 -4.978 -8.898 7.043 1.00 1.06 C ATOM 1153 C ARG A 72 -3.606 -9.156 7.669 1.00 0.98 C ATOM 1154 O ARG A 72 -2.815 -9.952 7.153 1.00 0.98 O ATOM 1155 CB ARG A 72 -6.036 -9.851 7.631 1.00 1.26 C ATOM 1156 CG ARG A 72 -5.499 -11.203 8.089 1.00 1.27 C ATOM 1157 CD ARG A 72 -5.243 -12.144 6.922 1.00 1.51 C ATOM 1158 NE ARG A 72 -4.416 -13.286 7.315 1.00 1.92 N ATOM 1159 CZ ARG A 72 -4.053 -14.272 6.495 1.00 2.21 C ATOM 1160 NH1 ARG A 72 -4.515 -14.323 5.251 1.00 2.37 N ATOM 1161 NH2 ARG A 72 -3.241 -15.226 6.934 1.00 2.72 N ATOM 0 H ARG A 72 -5.470 -9.804 5.217 1.00 0.98 H new ATOM 0 HA ARG A 72 -5.267 -7.874 7.282 1.00 1.06 H new ATOM 0 HB2 ARG A 72 -6.515 -9.361 8.479 1.00 1.26 H new ATOM 0 HB3 ARG A 72 -6.809 -10.019 6.881 1.00 1.26 H new ATOM 0 HG2 ARG A 72 -4.573 -11.055 8.644 1.00 1.27 H new ATOM 0 HG3 ARG A 72 -6.212 -11.662 8.774 1.00 1.27 H new ATOM 0 HD2 ARG A 72 -6.194 -12.503 6.529 1.00 1.51 H new ATOM 0 HD3 ARG A 72 -4.751 -11.599 6.117 1.00 1.51 H new ATOM 0 HE ARG A 72 -4.096 -13.330 8.282 1.00 1.92 H new ATOM 0 HH11 ARG A 72 -5.154 -13.603 4.914 1.00 2.37 H new ATOM 0 HH12 ARG A 72 -4.231 -15.082 4.632 1.00 2.37 H new ATOM 0 HH21 ARG A 72 -2.898 -15.202 7.894 1.00 2.72 H new ATOM 0 HH22 ARG A 72 -2.960 -15.983 6.311 1.00 2.72 H new ATOM 1175 N LEU A 73 -3.325 -8.464 8.763 1.00 1.04 N ATOM 1176 CA LEU A 73 -2.060 -8.624 9.462 1.00 1.05 C ATOM 1177 C LEU A 73 -2.211 -9.641 10.587 1.00 1.17 C ATOM 1178 O LEU A 73 -1.547 -10.680 10.595 1.00 1.27 O ATOM 1179 CB LEU A 73 -1.587 -7.279 10.025 1.00 1.16 C ATOM 1180 CG LEU A 73 -0.329 -7.335 10.899 1.00 1.25 C ATOM 1181 CD1 LEU A 73 0.889 -7.714 10.071 1.00 1.23 C ATOM 1182 CD2 LEU A 73 -0.107 -6.002 11.599 1.00 1.44 C ATOM 0 H LEU A 73 -3.958 -7.785 9.186 1.00 1.04 H new ATOM 0 HA LEU A 73 -1.313 -8.986 8.755 1.00 1.05 H new ATOM 0 HB2 LEU A 73 -1.399 -6.602 9.192 1.00 1.16 H new ATOM 0 HB3 LEU A 73 -2.397 -6.846 10.612 1.00 1.16 H new ATOM 0 HG LEU A 73 -0.475 -8.104 11.658 1.00 1.25 H new ATOM 0 HD11 LEU A 73 1.769 -7.747 10.713 1.00 1.23 H new ATOM 0 HD12 LEU A 73 0.732 -8.694 9.620 1.00 1.23 H new ATOM 0 HD13 LEU A 73 1.040 -6.973 9.286 1.00 1.23 H new ATOM 0 HD21 LEU A 73 0.790 -6.060 12.215 1.00 1.44 H new ATOM 0 HD22 LEU A 73 0.014 -5.216 10.854 1.00 1.44 H new ATOM 0 HD23 LEU A 73 -0.966 -5.775 12.230 1.00 1.44 H new ATOM 1194 N ARG A 74 -3.094 -9.340 11.524 1.00 1.29 N ATOM 1195 CA ARG A 74 -3.338 -10.223 12.654 1.00 1.48 C ATOM 1196 C ARG A 74 -4.674 -10.931 12.489 1.00 1.52 C ATOM 1197 O ARG A 74 -5.521 -10.492 11.709 1.00 1.42 O ATOM 1198 CB ARG A 74 -3.344 -9.428 13.961 1.00 1.65 C ATOM 1199 CG ARG A 74 -2.113 -8.563 14.158 1.00 1.66 C ATOM 1200 CD ARG A 74 -2.305 -7.568 15.293 1.00 1.87 C ATOM 1201 NE ARG A 74 -1.157 -6.678 15.433 1.00 2.02 N ATOM 1202 CZ ARG A 74 -1.191 -5.364 15.207 1.00 2.49 C ATOM 1203 NH1 ARG A 74 -2.310 -4.777 14.796 1.00 3.05 N ATOM 1204 NH2 ARG A 74 -0.094 -4.636 15.378 1.00 2.67 N ATOM 0 H ARG A 74 -3.656 -8.489 11.525 1.00 1.29 H new ATOM 0 HA ARG A 74 -2.538 -10.963 12.689 1.00 1.48 H new ATOM 0 HB2 ARG A 74 -4.230 -8.794 13.985 1.00 1.65 H new ATOM 0 HB3 ARG A 74 -3.426 -10.122 14.797 1.00 1.65 H new ATOM 0 HG2 ARG A 74 -1.252 -9.197 14.370 1.00 1.66 H new ATOM 0 HG3 ARG A 74 -1.893 -8.026 13.235 1.00 1.66 H new ATOM 0 HD2 ARG A 74 -3.203 -6.977 15.111 1.00 1.87 H new ATOM 0 HD3 ARG A 74 -2.463 -8.108 16.227 1.00 1.87 H new ATOM 0 HE ARG A 74 -0.269 -7.088 15.723 1.00 2.02 H new ATOM 0 HH11 ARG A 74 -3.153 -5.332 14.651 1.00 3.05 H new ATOM 0 HH12 ARG A 74 -2.326 -3.771 14.626 1.00 3.05 H new ATOM 0 HH21 ARG A 74 0.772 -5.082 15.681 1.00 2.67 H new ATOM 0 HH22 ARG A 74 -0.117 -3.631 15.206 1.00 2.67 H new ATOM 1218 N GLY A 75 -4.857 -12.017 13.220 1.00 1.73 N ATOM 1219 CA GLY A 75 -6.097 -12.757 13.153 1.00 1.82 C ATOM 1220 C GLY A 75 -7.115 -12.237 14.145 1.00 1.97 C ATOM 1221 O GLY A 75 -7.725 -11.187 13.928 1.00 2.14 O ATOM 0 H GLY A 75 -4.164 -12.401 13.863 1.00 1.73 H new ATOM 0 HA2 GLY A 75 -6.506 -12.692 12.145 1.00 1.82 H new ATOM 0 HA3 GLY A 75 -5.903 -13.811 13.350 1.00 1.82 H new ATOM 1225 N GLY A 76 -7.281 -12.952 15.245 1.00 2.11 N ATOM 1226 CA GLY A 76 -8.227 -12.545 16.256 1.00 2.28 C ATOM 1227 C GLY A 76 -8.064 -13.341 17.527 1.00 2.59 C ATOM 1228 O GLY A 76 -7.608 -14.503 17.449 1.00 2.86 O ATOM 1229 OXT GLY A 76 -8.393 -12.816 18.608 1.00 2.74 O ATOM 0 H GLY A 76 -6.774 -13.812 15.455 1.00 2.11 H new ATOM 0 HA2 GLY A 76 -8.095 -11.485 16.472 1.00 2.28 H new ATOM 0 HA3 GLY A 76 -9.241 -12.670 15.876 1.00 2.28 H new TER 1233 GLY A 76 ATOM 1234 N ALA B 49 30.510 -4.212 3.232 1.00 6.94 N ATOM 1235 CA ALA B 49 29.119 -4.161 2.735 1.00 6.69 C ATOM 1236 C ALA B 49 29.095 -3.949 1.229 1.00 5.91 C ATOM 1237 O ALA B 49 29.170 -2.816 0.745 1.00 5.54 O ATOM 1238 CB ALA B 49 28.345 -3.053 3.437 1.00 6.99 C ATOM 0 HA ALA B 49 28.641 -5.115 2.956 1.00 6.69 H new ATOM 0 HB1 ALA B 49 27.323 -3.028 3.060 1.00 6.99 H new ATOM 0 HB2 ALA B 49 28.332 -3.242 4.510 1.00 6.99 H new ATOM 0 HB3 ALA B 49 28.826 -2.094 3.244 1.00 6.99 H new ATOM 1246 N ASN B 50 28.995 -5.043 0.488 1.00 5.87 N ATOM 1247 CA ASN B 50 28.954 -4.976 -0.962 1.00 5.30 C ATOM 1248 C ASN B 50 27.524 -4.767 -1.432 1.00 5.06 C ATOM 1249 O ASN B 50 26.880 -5.680 -1.950 1.00 5.44 O ATOM 1250 CB ASN B 50 29.542 -6.244 -1.588 1.00 6.03 C ATOM 1251 CG ASN B 50 30.859 -5.987 -2.299 1.00 6.24 C ATOM 1252 OD1 ASN B 50 31.640 -5.123 -1.895 1.00 6.11 O ATOM 1253 ND2 ASN B 50 31.114 -6.730 -3.364 1.00 6.90 N ATOM 0 H ASN B 50 28.941 -5.988 0.869 1.00 5.87 H new ATOM 0 HA ASN B 50 29.561 -4.130 -1.284 1.00 5.30 H new ATOM 0 HB2 ASN B 50 29.693 -6.992 -0.810 1.00 6.03 H new ATOM 0 HB3 ASN B 50 28.826 -6.661 -2.296 1.00 6.03 H new ATOM 0 HD21 ASN B 50 31.983 -6.598 -3.882 1.00 6.90 H new ATOM 0 HD22 ASN B 50 30.442 -7.435 -3.667 1.00 6.90 H new ATOM 1260 N GLN B 51 27.031 -3.555 -1.223 1.00 4.75 N ATOM 1261 CA GLN B 51 25.679 -3.189 -1.605 1.00 4.80 C ATOM 1262 C GLN B 51 25.718 -2.111 -2.682 1.00 3.99 C ATOM 1263 O GLN B 51 24.853 -1.231 -2.745 1.00 4.10 O ATOM 1264 CB GLN B 51 24.901 -2.699 -0.379 1.00 5.49 C ATOM 1265 CG GLN B 51 25.692 -1.745 0.505 1.00 6.37 C ATOM 1266 CD GLN B 51 25.041 -1.517 1.853 1.00 7.07 C ATOM 1267 OE1 GLN B 51 25.242 -2.289 2.788 1.00 7.23 O ATOM 1268 NE2 GLN B 51 24.275 -0.447 1.972 1.00 7.70 N ATOM 0 H GLN B 51 27.558 -2.800 -0.784 1.00 4.75 H new ATOM 0 HA GLN B 51 25.171 -4.065 -2.008 1.00 4.80 H new ATOM 0 HB2 GLN B 51 23.990 -2.201 -0.712 1.00 5.49 H new ATOM 0 HB3 GLN B 51 24.594 -3.561 0.214 1.00 5.49 H new ATOM 0 HG2 GLN B 51 26.696 -2.143 0.654 1.00 6.37 H new ATOM 0 HG3 GLN B 51 25.801 -0.789 -0.007 1.00 6.37 H new ATOM 0 HE21 GLN B 51 24.133 0.170 1.172 1.00 7.70 H new ATOM 0 HE22 GLN B 51 23.826 -0.238 2.864 1.00 7.70 H new ATOM 1277 N GLN B 52 26.738 -2.180 -3.520 1.00 3.53 N ATOM 1278 CA GLN B 52 26.909 -1.223 -4.598 1.00 3.01 C ATOM 1279 C GLN B 52 26.200 -1.717 -5.855 1.00 2.27 C ATOM 1280 O GLN B 52 26.839 -2.208 -6.785 1.00 2.36 O ATOM 1281 CB GLN B 52 28.397 -0.987 -4.890 1.00 3.67 C ATOM 1282 CG GLN B 52 29.167 -0.343 -3.744 1.00 4.51 C ATOM 1283 CD GLN B 52 29.468 -1.315 -2.616 1.00 5.37 C ATOM 1284 OE1 GLN B 52 29.596 -2.518 -2.836 1.00 5.48 O ATOM 1285 NE2 GLN B 52 29.583 -0.800 -1.402 1.00 6.18 N ATOM 0 H GLN B 52 27.465 -2.894 -3.473 1.00 3.53 H new ATOM 0 HA GLN B 52 26.467 -0.276 -4.288 1.00 3.01 H new ATOM 0 HB2 GLN B 52 28.863 -1.942 -5.134 1.00 3.67 H new ATOM 0 HB3 GLN B 52 28.486 -0.354 -5.773 1.00 3.67 H new ATOM 0 HG2 GLN B 52 30.103 0.065 -4.125 1.00 4.51 H new ATOM 0 HG3 GLN B 52 28.591 0.495 -3.351 1.00 4.51 H new ATOM 0 HE21 GLN B 52 29.470 0.204 -1.261 1.00 6.18 H new ATOM 0 HE22 GLN B 52 29.785 -1.407 -0.608 1.00 6.18 H new ATOM 1294 N THR B 53 24.879 -1.614 -5.855 1.00 2.20 N ATOM 1295 CA THR B 53 24.067 -2.030 -6.986 1.00 2.16 C ATOM 1296 C THR B 53 24.429 -1.232 -8.238 1.00 1.98 C ATOM 1297 O THR B 53 24.754 -0.044 -8.152 1.00 2.60 O ATOM 1298 CB THR B 53 22.578 -1.839 -6.660 1.00 3.08 C ATOM 1299 OG1 THR B 53 22.452 -1.245 -5.358 1.00 3.59 O ATOM 1300 CG2 THR B 53 21.838 -3.165 -6.690 1.00 3.84 C ATOM 0 H THR B 53 24.342 -1.240 -5.072 1.00 2.20 H new ATOM 0 HA THR B 53 24.263 -3.085 -7.180 1.00 2.16 H new ATOM 0 HB THR B 53 22.137 -1.186 -7.414 1.00 3.08 H new ATOM 0 HG1 THR B 53 21.966 -1.856 -4.766 1.00 3.59 H new ATOM 0 HG21 THR B 53 20.786 -3.000 -6.456 1.00 3.84 H new ATOM 0 HG22 THR B 53 21.924 -3.607 -7.683 1.00 3.84 H new ATOM 0 HG23 THR B 53 22.272 -3.841 -5.953 1.00 3.84 H new ATOM 1308 N SER B 54 24.396 -1.885 -9.388 1.00 1.83 N ATOM 1309 CA SER B 54 24.728 -1.230 -10.644 1.00 2.46 C ATOM 1310 C SER B 54 23.666 -0.202 -11.030 1.00 2.41 C ATOM 1311 O SER B 54 23.986 0.872 -11.545 1.00 3.09 O ATOM 1312 CB SER B 54 24.880 -2.282 -11.742 1.00 3.09 C ATOM 1313 OG SER B 54 24.646 -3.583 -11.222 1.00 3.01 O ATOM 0 H SER B 54 24.143 -2.869 -9.479 1.00 1.83 H new ATOM 0 HA SER B 54 25.671 -0.697 -10.521 1.00 2.46 H new ATOM 0 HB2 SER B 54 24.179 -2.076 -12.551 1.00 3.09 H new ATOM 0 HB3 SER B 54 25.882 -2.229 -12.168 1.00 3.09 H new ATOM 0 HG SER B 54 24.746 -4.244 -11.938 1.00 3.01 H new ATOM 1319 N GLY B 55 22.408 -0.526 -10.768 1.00 1.77 N ATOM 1320 CA GLY B 55 21.326 0.377 -11.101 1.00 1.76 C ATOM 1321 C GLY B 55 20.887 1.223 -9.922 1.00 1.40 C ATOM 1322 O GLY B 55 19.776 1.067 -9.423 1.00 1.29 O ATOM 0 H GLY B 55 22.117 -1.400 -10.330 1.00 1.77 H new ATOM 0 HA2 GLY B 55 21.641 1.030 -11.915 1.00 1.76 H new ATOM 0 HA3 GLY B 55 20.476 -0.200 -11.466 1.00 1.76 H new ATOM 1326 N LYS B 56 21.761 2.116 -9.474 1.00 1.43 N ATOM 1327 CA LYS B 56 21.446 2.990 -8.348 1.00 1.15 C ATOM 1328 C LYS B 56 20.478 4.088 -8.777 1.00 1.13 C ATOM 1329 O LYS B 56 20.869 5.045 -9.451 1.00 1.19 O ATOM 1330 CB LYS B 56 22.718 3.618 -7.778 1.00 1.16 C ATOM 1331 CG LYS B 56 23.584 2.644 -6.995 1.00 1.14 C ATOM 1332 CD LYS B 56 23.061 2.435 -5.581 1.00 1.03 C ATOM 1333 CE LYS B 56 23.907 1.425 -4.826 1.00 1.13 C ATOM 1334 NZ LYS B 56 23.486 1.284 -3.407 1.00 1.04 N ATOM 0 H LYS B 56 22.690 2.255 -9.871 1.00 1.43 H new ATOM 0 HA LYS B 56 20.975 2.384 -7.574 1.00 1.15 H new ATOM 0 HB2 LYS B 56 23.305 4.035 -8.597 1.00 1.16 H new ATOM 0 HB3 LYS B 56 22.443 4.449 -7.128 1.00 1.16 H new ATOM 0 HG2 LYS B 56 23.617 1.687 -7.516 1.00 1.14 H new ATOM 0 HG3 LYS B 56 24.606 3.019 -6.953 1.00 1.14 H new ATOM 0 HD2 LYS B 56 23.061 3.385 -5.046 1.00 1.03 H new ATOM 0 HD3 LYS B 56 22.027 2.091 -5.620 1.00 1.03 H new ATOM 0 HE2 LYS B 56 23.840 0.456 -5.321 1.00 1.13 H new ATOM 0 HE3 LYS B 56 24.953 1.730 -4.864 1.00 1.13 H new ATOM 0 HZ1 LYS B 56 23.986 0.481 -2.975 1.00 1.04 H new ATOM 0 HZ2 LYS B 56 23.717 2.155 -2.888 1.00 1.04 H new ATOM 0 HZ3 LYS B 56 22.460 1.117 -3.364 1.00 1.04 H new ATOM 1348 N VAL B 57 19.221 3.943 -8.393 1.00 1.12 N ATOM 1349 CA VAL B 57 18.204 4.919 -8.738 1.00 1.13 C ATOM 1350 C VAL B 57 18.367 6.177 -7.891 1.00 1.07 C ATOM 1351 O VAL B 57 18.504 6.103 -6.667 1.00 0.99 O ATOM 1352 CB VAL B 57 16.782 4.354 -8.552 1.00 1.11 C ATOM 1353 CG1 VAL B 57 15.775 5.177 -9.338 1.00 1.23 C ATOM 1354 CG2 VAL B 57 16.716 2.891 -8.965 1.00 1.15 C ATOM 0 H VAL B 57 18.881 3.156 -7.841 1.00 1.12 H new ATOM 0 HA VAL B 57 18.336 5.166 -9.791 1.00 1.13 H new ATOM 0 HB VAL B 57 16.530 4.416 -7.493 1.00 1.11 H new ATOM 0 HG11 VAL B 57 14.777 4.764 -9.195 1.00 1.23 H new ATOM 0 HG12 VAL B 57 15.795 6.209 -8.986 1.00 1.23 H new ATOM 0 HG13 VAL B 57 16.031 5.150 -10.397 1.00 1.23 H new ATOM 0 HG21 VAL B 57 15.702 2.518 -8.823 1.00 1.15 H new ATOM 0 HG22 VAL B 57 16.994 2.796 -10.015 1.00 1.15 H new ATOM 0 HG23 VAL B 57 17.405 2.309 -8.353 1.00 1.15 H new ATOM 1364 N LEU B 58 18.355 7.327 -8.544 1.00 1.14 N ATOM 1365 CA LEU B 58 18.522 8.600 -7.862 1.00 1.13 C ATOM 1366 C LEU B 58 17.177 9.265 -7.594 1.00 1.12 C ATOM 1367 O LEU B 58 16.387 9.474 -8.514 1.00 1.20 O ATOM 1368 CB LEU B 58 19.400 9.532 -8.703 1.00 1.28 C ATOM 1369 CG LEU B 58 19.499 10.975 -8.199 1.00 1.36 C ATOM 1370 CD1 LEU B 58 20.538 11.089 -7.095 1.00 1.29 C ATOM 1371 CD2 LEU B 58 19.828 11.919 -9.343 1.00 1.76 C ATOM 0 H LEU B 58 18.230 7.405 -9.553 1.00 1.14 H new ATOM 0 HA LEU B 58 19.005 8.408 -6.904 1.00 1.13 H new ATOM 0 HB2 LEU B 58 20.405 9.112 -8.750 1.00 1.28 H new ATOM 0 HB3 LEU B 58 19.013 9.547 -9.722 1.00 1.28 H new ATOM 0 HG LEU B 58 18.531 11.260 -7.787 1.00 1.36 H new ATOM 0 HD11 LEU B 58 20.592 12.122 -6.752 1.00 1.29 H new ATOM 0 HD12 LEU B 58 20.257 10.444 -6.263 1.00 1.29 H new ATOM 0 HD13 LEU B 58 21.511 10.783 -7.478 1.00 1.29 H new ATOM 0 HD21 LEU B 58 19.894 12.939 -8.965 1.00 1.76 H new ATOM 0 HD22 LEU B 58 20.782 11.634 -9.787 1.00 1.76 H new ATOM 0 HD23 LEU B 58 19.044 11.862 -10.099 1.00 1.76 H new ATOM 1383 N TYR B 59 16.922 9.587 -6.337 1.00 1.06 N ATOM 1384 CA TYR B 59 15.689 10.254 -5.957 1.00 1.06 C ATOM 1385 C TYR B 59 16.040 11.549 -5.236 1.00 1.09 C ATOM 1386 O TYR B 59 16.951 11.567 -4.407 1.00 1.06 O ATOM 1387 CB TYR B 59 14.808 9.340 -5.086 1.00 0.97 C ATOM 1388 CG TYR B 59 15.046 9.456 -3.591 1.00 0.89 C ATOM 1389 CD1 TYR B 59 16.160 8.877 -2.993 1.00 1.03 C ATOM 1390 CD2 TYR B 59 14.155 10.150 -2.781 1.00 1.03 C ATOM 1391 CE1 TYR B 59 16.378 8.987 -1.634 1.00 1.28 C ATOM 1392 CE2 TYR B 59 14.367 10.263 -1.420 1.00 1.27 C ATOM 1393 CZ TYR B 59 15.480 9.681 -0.853 1.00 1.38 C ATOM 1394 OH TYR B 59 15.694 9.796 0.502 1.00 1.77 O ATOM 0 H TYR B 59 17.555 9.396 -5.560 1.00 1.06 H new ATOM 0 HA TYR B 59 15.107 10.487 -6.849 1.00 1.06 H new ATOM 0 HB2 TYR B 59 13.762 9.566 -5.291 1.00 0.97 H new ATOM 0 HB3 TYR B 59 14.975 8.306 -5.386 1.00 0.97 H new ATOM 0 HD1 TYR B 59 16.866 8.332 -3.602 1.00 1.03 H new ATOM 0 HD2 TYR B 59 13.283 10.609 -3.222 1.00 1.03 H new ATOM 0 HE1 TYR B 59 17.248 8.531 -1.185 1.00 1.28 H new ATOM 0 HE2 TYR B 59 13.664 10.804 -0.804 1.00 1.27 H new ATOM 0 HH TYR B 59 14.968 10.317 0.905 1.00 1.77 H new ATOM 1404 N GLU B 60 15.336 12.629 -5.571 1.00 1.18 N ATOM 1405 CA GLU B 60 15.588 13.942 -4.973 1.00 1.24 C ATOM 1406 C GLU B 60 17.041 14.362 -5.207 1.00 1.34 C ATOM 1407 O GLU B 60 17.373 14.922 -6.252 1.00 1.90 O ATOM 1408 CB GLU B 60 15.260 13.931 -3.476 1.00 1.13 C ATOM 1409 CG GLU B 60 13.779 13.773 -3.177 1.00 1.09 C ATOM 1410 CD GLU B 60 13.128 15.084 -2.796 1.00 1.49 C ATOM 1411 OE1 GLU B 60 13.461 15.622 -1.719 1.00 2.02 O ATOM 1412 OE2 GLU B 60 12.287 15.589 -3.566 1.00 1.66 O ATOM 0 H GLU B 60 14.582 12.621 -6.258 1.00 1.18 H new ATOM 0 HA GLU B 60 14.936 14.671 -5.454 1.00 1.24 H new ATOM 0 HB2 GLU B 60 15.807 13.118 -2.999 1.00 1.13 H new ATOM 0 HB3 GLU B 60 15.615 14.859 -3.028 1.00 1.13 H new ATOM 0 HG2 GLU B 60 13.276 13.361 -4.052 1.00 1.09 H new ATOM 0 HG3 GLU B 60 13.649 13.056 -2.367 1.00 1.09 H new ATOM 1419 N GLY B 61 17.905 14.064 -4.243 1.00 1.27 N ATOM 1420 CA GLY B 61 19.307 14.397 -4.370 1.00 1.32 C ATOM 1421 C GLY B 61 20.195 13.320 -3.775 1.00 1.22 C ATOM 1422 O GLY B 61 21.354 13.572 -3.443 1.00 1.33 O ATOM 0 H GLY B 61 17.655 13.595 -3.372 1.00 1.27 H new ATOM 0 HA2 GLY B 61 19.555 14.533 -5.423 1.00 1.32 H new ATOM 0 HA3 GLY B 61 19.502 15.346 -3.871 1.00 1.32 H new ATOM 1426 N LYS B 62 19.656 12.116 -3.641 1.00 1.08 N ATOM 1427 CA LYS B 62 20.399 11.003 -3.070 1.00 1.02 C ATOM 1428 C LYS B 62 20.178 9.737 -3.891 1.00 1.00 C ATOM 1429 O LYS B 62 19.052 9.434 -4.288 1.00 1.00 O ATOM 1430 CB LYS B 62 19.971 10.777 -1.617 1.00 0.92 C ATOM 1431 CG LYS B 62 20.695 9.630 -0.930 1.00 0.90 C ATOM 1432 CD LYS B 62 20.264 9.485 0.522 1.00 0.94 C ATOM 1433 CE LYS B 62 20.798 10.621 1.382 1.00 1.30 C ATOM 1434 NZ LYS B 62 22.280 10.689 1.351 1.00 1.59 N ATOM 0 H LYS B 62 18.703 11.885 -3.921 1.00 1.08 H new ATOM 0 HA LYS B 62 21.462 11.245 -3.090 1.00 1.02 H new ATOM 0 HB2 LYS B 62 20.144 11.693 -1.052 1.00 0.92 H new ATOM 0 HB3 LYS B 62 18.899 10.584 -1.591 1.00 0.92 H new ATOM 0 HG2 LYS B 62 20.495 8.701 -1.464 1.00 0.90 H new ATOM 0 HG3 LYS B 62 21.771 9.799 -0.976 1.00 0.90 H new ATOM 0 HD2 LYS B 62 19.176 9.466 0.579 1.00 0.94 H new ATOM 0 HD3 LYS B 62 20.620 8.533 0.914 1.00 0.94 H new ATOM 0 HE2 LYS B 62 20.384 11.567 1.032 1.00 1.30 H new ATOM 0 HE3 LYS B 62 20.462 10.487 2.410 1.00 1.30 H new ATOM 0 HZ1 LYS B 62 22.641 10.840 2.315 1.00 1.59 H new ATOM 0 HZ2 LYS B 62 22.661 9.798 0.974 1.00 1.59 H new ATOM 0 HZ3 LYS B 62 22.579 11.478 0.742 1.00 1.59 H new ATOM 1448 N GLU B 63 21.256 9.013 -4.155 1.00 1.03 N ATOM 1449 CA GLU B 63 21.173 7.780 -4.920 1.00 1.06 C ATOM 1450 C GLU B 63 21.055 6.583 -3.986 1.00 0.95 C ATOM 1451 O GLU B 63 21.772 6.485 -2.985 1.00 0.93 O ATOM 1452 CB GLU B 63 22.391 7.625 -5.837 1.00 1.22 C ATOM 1453 CG GLU B 63 23.728 7.692 -5.115 1.00 1.48 C ATOM 1454 CD GLU B 63 24.898 7.507 -6.057 1.00 1.64 C ATOM 1455 OE1 GLU B 63 24.818 7.976 -7.212 1.00 2.14 O ATOM 1456 OE2 GLU B 63 25.908 6.888 -5.653 1.00 1.90 O ATOM 0 H GLU B 63 22.198 9.259 -3.850 1.00 1.03 H new ATOM 0 HA GLU B 63 20.280 7.825 -5.544 1.00 1.06 H new ATOM 0 HB2 GLU B 63 22.320 6.670 -6.358 1.00 1.22 H new ATOM 0 HB3 GLU B 63 22.362 8.406 -6.597 1.00 1.22 H new ATOM 0 HG2 GLU B 63 23.819 8.654 -4.611 1.00 1.48 H new ATOM 0 HG3 GLU B 63 23.761 6.923 -4.343 1.00 1.48 H new ATOM 1463 N PHE B 64 20.142 5.685 -4.305 1.00 0.93 N ATOM 1464 CA PHE B 64 19.929 4.496 -3.500 1.00 0.85 C ATOM 1465 C PHE B 64 19.752 3.289 -4.403 1.00 0.91 C ATOM 1466 O PHE B 64 19.775 3.423 -5.623 1.00 1.02 O ATOM 1467 CB PHE B 64 18.709 4.664 -2.600 1.00 0.74 C ATOM 1468 CG PHE B 64 19.040 4.566 -1.137 1.00 0.71 C ATOM 1469 CD1 PHE B 64 19.531 5.664 -0.449 1.00 0.79 C ATOM 1470 CD2 PHE B 64 18.869 3.372 -0.452 1.00 0.65 C ATOM 1471 CE1 PHE B 64 19.839 5.576 0.895 1.00 0.82 C ATOM 1472 CE2 PHE B 64 19.178 3.279 0.893 1.00 0.68 C ATOM 1473 CZ PHE B 64 19.663 4.382 1.566 1.00 0.77 C ATOM 0 H PHE B 64 19.533 5.757 -5.120 1.00 0.93 H new ATOM 0 HA PHE B 64 20.802 4.344 -2.865 1.00 0.85 H new ATOM 0 HB2 PHE B 64 18.249 5.632 -2.799 1.00 0.74 H new ATOM 0 HB3 PHE B 64 17.971 3.902 -2.852 1.00 0.74 H new ATOM 0 HD1 PHE B 64 19.675 6.599 -0.969 1.00 0.79 H new ATOM 0 HD2 PHE B 64 18.491 2.506 -0.974 1.00 0.65 H new ATOM 0 HE1 PHE B 64 20.217 6.440 1.420 1.00 0.82 H new ATOM 0 HE2 PHE B 64 19.040 2.344 1.416 1.00 0.68 H new ATOM 0 HZ PHE B 64 19.905 4.311 2.616 1.00 0.77 H new ATOM 1483 N ASP B 65 19.585 2.122 -3.805 1.00 0.87 N ATOM 1484 CA ASP B 65 19.408 0.891 -4.567 1.00 0.94 C ATOM 1485 C ASP B 65 18.139 0.962 -5.402 1.00 1.03 C ATOM 1486 O ASP B 65 18.191 1.117 -6.619 1.00 1.18 O ATOM 1487 CB ASP B 65 19.340 -0.317 -3.632 1.00 0.88 C ATOM 1488 CG ASP B 65 20.650 -0.600 -2.930 1.00 0.84 C ATOM 1489 OD1 ASP B 65 21.233 0.334 -2.336 1.00 1.13 O ATOM 1490 OD2 ASP B 65 21.099 -1.759 -2.956 1.00 1.39 O ATOM 0 H ASP B 65 19.568 1.998 -2.793 1.00 0.87 H new ATOM 0 HA ASP B 65 20.266 0.777 -5.229 1.00 0.94 H new ATOM 0 HB2 ASP B 65 18.564 -0.148 -2.885 1.00 0.88 H new ATOM 0 HB3 ASP B 65 19.045 -1.196 -4.205 1.00 0.88 H new ATOM 1495 N TYR B 66 16.996 0.866 -4.737 1.00 0.99 N ATOM 1496 CA TYR B 66 15.714 0.911 -5.420 1.00 1.12 C ATOM 1497 C TYR B 66 14.731 1.788 -4.656 1.00 0.95 C ATOM 1498 O TYR B 66 14.473 1.563 -3.471 1.00 0.88 O ATOM 1499 CB TYR B 66 15.146 -0.504 -5.582 1.00 1.31 C ATOM 1500 CG TYR B 66 16.014 -1.410 -6.429 1.00 1.57 C ATOM 1501 CD1 TYR B 66 16.067 -1.262 -7.811 1.00 1.79 C ATOM 1502 CD2 TYR B 66 16.788 -2.407 -5.846 1.00 1.64 C ATOM 1503 CE1 TYR B 66 16.866 -2.080 -8.586 1.00 2.05 C ATOM 1504 CE2 TYR B 66 17.588 -3.231 -6.617 1.00 1.89 C ATOM 1505 CZ TYR B 66 17.624 -3.062 -7.986 1.00 2.08 C ATOM 1506 OH TYR B 66 18.421 -3.878 -8.759 1.00 2.34 O ATOM 0 H TYR B 66 16.932 0.756 -3.725 1.00 0.99 H new ATOM 0 HA TYR B 66 15.867 1.343 -6.409 1.00 1.12 H new ATOM 0 HB2 TYR B 66 15.021 -0.952 -4.596 1.00 1.31 H new ATOM 0 HB3 TYR B 66 14.155 -0.440 -6.031 1.00 1.31 H new ATOM 0 HD1 TYR B 66 15.474 -0.495 -8.286 1.00 1.79 H new ATOM 0 HD2 TYR B 66 16.764 -2.540 -4.775 1.00 1.64 H new ATOM 0 HE1 TYR B 66 16.896 -1.950 -9.658 1.00 2.05 H new ATOM 0 HE2 TYR B 66 18.182 -4.003 -6.150 1.00 1.89 H new ATOM 0 HH TYR B 66 18.891 -4.517 -8.183 1.00 2.34 H new ATOM 1516 N VAL B 67 14.195 2.793 -5.333 1.00 0.97 N ATOM 1517 CA VAL B 67 13.238 3.702 -4.720 1.00 0.85 C ATOM 1518 C VAL B 67 11.819 3.398 -5.203 1.00 0.86 C ATOM 1519 O VAL B 67 11.475 3.624 -6.366 1.00 1.09 O ATOM 1520 CB VAL B 67 13.591 5.184 -4.991 1.00 0.87 C ATOM 1521 CG1 VAL B 67 14.816 5.595 -4.189 1.00 0.85 C ATOM 1522 CG2 VAL B 67 13.827 5.436 -6.473 1.00 1.05 C ATOM 0 H VAL B 67 14.407 3.000 -6.309 1.00 0.97 H new ATOM 0 HA VAL B 67 13.288 3.543 -3.643 1.00 0.85 H new ATOM 0 HB VAL B 67 12.741 5.790 -4.676 1.00 0.87 H new ATOM 0 HG11 VAL B 67 15.050 6.640 -4.392 1.00 0.85 H new ATOM 0 HG12 VAL B 67 14.614 5.468 -3.125 1.00 0.85 H new ATOM 0 HG13 VAL B 67 15.663 4.972 -4.474 1.00 0.85 H new ATOM 0 HG21 VAL B 67 14.073 6.486 -6.629 1.00 1.05 H new ATOM 0 HG22 VAL B 67 14.652 4.815 -6.821 1.00 1.05 H new ATOM 0 HG23 VAL B 67 12.925 5.188 -7.032 1.00 1.05 H new ATOM 1532 N PHE B 68 11.004 2.877 -4.301 1.00 0.75 N ATOM 1533 CA PHE B 68 9.628 2.518 -4.624 1.00 0.79 C ATOM 1534 C PHE B 68 8.730 3.748 -4.646 1.00 0.81 C ATOM 1535 O PHE B 68 8.848 4.631 -3.793 1.00 0.77 O ATOM 1536 CB PHE B 68 9.090 1.500 -3.615 1.00 0.78 C ATOM 1537 CG PHE B 68 9.897 0.233 -3.552 1.00 1.42 C ATOM 1538 CD1 PHE B 68 10.090 -0.536 -4.689 1.00 1.76 C ATOM 1539 CD2 PHE B 68 10.455 -0.191 -2.357 1.00 2.40 C ATOM 1540 CE1 PHE B 68 10.830 -1.702 -4.636 1.00 2.77 C ATOM 1541 CE2 PHE B 68 11.197 -1.357 -2.297 1.00 3.40 C ATOM 1542 CZ PHE B 68 11.383 -2.116 -3.438 1.00 3.53 C ATOM 0 H PHE B 68 11.271 2.692 -3.334 1.00 0.75 H new ATOM 0 HA PHE B 68 9.625 2.072 -5.618 1.00 0.79 H new ATOM 0 HB2 PHE B 68 9.069 1.957 -2.626 1.00 0.78 H new ATOM 0 HB3 PHE B 68 8.060 1.253 -3.874 1.00 0.78 H new ATOM 0 HD1 PHE B 68 9.657 -0.220 -5.627 1.00 1.76 H new ATOM 0 HD2 PHE B 68 10.309 0.395 -1.462 1.00 2.40 H new ATOM 0 HE1 PHE B 68 10.976 -2.290 -5.530 1.00 2.77 H new ATOM 0 HE2 PHE B 68 11.631 -1.674 -1.360 1.00 3.40 H new ATOM 0 HZ PHE B 68 11.958 -3.029 -3.394 1.00 3.53 H new ATOM 1552 N SER B 69 7.845 3.801 -5.635 1.00 0.93 N ATOM 1553 CA SER B 69 6.913 4.910 -5.779 1.00 0.99 C ATOM 1554 C SER B 69 5.689 4.679 -4.903 1.00 1.07 C ATOM 1555 O SER B 69 4.994 3.671 -5.049 1.00 1.23 O ATOM 1556 CB SER B 69 6.495 5.054 -7.243 1.00 1.13 C ATOM 1557 OG SER B 69 7.580 4.770 -8.112 1.00 1.37 O ATOM 0 H SER B 69 7.754 3.082 -6.353 1.00 0.93 H new ATOM 0 HA SER B 69 7.404 5.830 -5.461 1.00 0.99 H new ATOM 0 HB2 SER B 69 5.667 4.378 -7.457 1.00 1.13 H new ATOM 0 HB3 SER B 69 6.135 6.067 -7.424 1.00 1.13 H new ATOM 0 HG SER B 69 7.288 4.867 -9.042 1.00 1.37 H new ATOM 1563 N ILE B 70 5.434 5.603 -3.989 1.00 1.01 N ATOM 1564 CA ILE B 70 4.302 5.488 -3.082 1.00 1.12 C ATOM 1565 C ILE B 70 3.344 6.662 -3.242 1.00 1.08 C ATOM 1566 O ILE B 70 3.768 7.814 -3.364 1.00 1.10 O ATOM 1567 CB ILE B 70 4.773 5.416 -1.613 1.00 1.21 C ATOM 1568 CG1 ILE B 70 5.854 4.347 -1.452 1.00 1.41 C ATOM 1569 CG2 ILE B 70 3.601 5.127 -0.686 1.00 1.35 C ATOM 1570 CD1 ILE B 70 6.580 4.412 -0.128 1.00 1.62 C ATOM 0 H ILE B 70 5.997 6.443 -3.856 1.00 1.01 H new ATOM 0 HA ILE B 70 3.780 4.566 -3.338 1.00 1.12 H new ATOM 0 HB ILE B 70 5.195 6.383 -1.341 1.00 1.21 H new ATOM 0 HG12 ILE B 70 5.398 3.363 -1.558 1.00 1.41 H new ATOM 0 HG13 ILE B 70 6.579 4.451 -2.259 1.00 1.41 H new ATOM 0 HG21 ILE B 70 3.955 5.080 0.344 1.00 1.35 H new ATOM 0 HG22 ILE B 70 2.859 5.920 -0.779 1.00 1.35 H new ATOM 0 HG23 ILE B 70 3.149 4.173 -0.958 1.00 1.35 H new ATOM 0 HD11 ILE B 70 7.332 3.624 -0.086 1.00 1.62 H new ATOM 0 HD12 ILE B 70 7.066 5.382 -0.027 1.00 1.62 H new ATOM 0 HD13 ILE B 70 5.867 4.277 0.685 1.00 1.62 H new ATOM 1582 N ASP B 71 2.056 6.357 -3.254 1.00 1.20 N ATOM 1583 CA ASP B 71 1.020 7.369 -3.376 1.00 1.30 C ATOM 1584 C ASP B 71 0.201 7.425 -2.093 1.00 1.30 C ATOM 1585 O ASP B 71 0.042 6.412 -1.406 1.00 1.46 O ATOM 1586 CB ASP B 71 0.105 7.073 -4.572 1.00 1.55 C ATOM 1587 CG ASP B 71 -0.722 5.811 -4.397 1.00 1.54 C ATOM 1588 OD1 ASP B 71 -1.825 5.885 -3.819 1.00 1.95 O ATOM 1589 OD2 ASP B 71 -0.276 4.734 -4.853 1.00 1.89 O ATOM 0 H ASP B 71 1.701 5.404 -3.180 1.00 1.20 H new ATOM 0 HA ASP B 71 1.497 8.335 -3.543 1.00 1.30 H new ATOM 0 HB2 ASP B 71 -0.564 7.919 -4.727 1.00 1.55 H new ATOM 0 HB3 ASP B 71 0.713 6.979 -5.472 1.00 1.55 H new ATOM 1594 N VAL B 72 -0.296 8.606 -1.763 1.00 1.31 N ATOM 1595 CA VAL B 72 -1.096 8.780 -0.559 1.00 1.39 C ATOM 1596 C VAL B 72 -2.589 8.717 -0.891 1.00 1.60 C ATOM 1597 O VAL B 72 -3.376 8.113 -0.158 1.00 1.74 O ATOM 1598 CB VAL B 72 -0.753 10.113 0.163 1.00 1.41 C ATOM 1599 CG1 VAL B 72 -0.965 11.316 -0.750 1.00 1.50 C ATOM 1600 CG2 VAL B 72 -1.564 10.265 1.442 1.00 1.98 C ATOM 0 H VAL B 72 -0.161 9.457 -2.309 1.00 1.31 H new ATOM 0 HA VAL B 72 -0.855 7.962 0.121 1.00 1.39 H new ATOM 0 HB VAL B 72 0.304 10.076 0.427 1.00 1.41 H new ATOM 0 HG11 VAL B 72 -0.715 12.230 -0.211 1.00 1.50 H new ATOM 0 HG12 VAL B 72 -0.324 11.225 -1.627 1.00 1.50 H new ATOM 0 HG13 VAL B 72 -2.008 11.354 -1.065 1.00 1.50 H new ATOM 0 HG21 VAL B 72 -1.305 11.206 1.928 1.00 1.98 H new ATOM 0 HG22 VAL B 72 -2.627 10.262 1.201 1.00 1.98 H new ATOM 0 HG23 VAL B 72 -1.342 9.436 2.114 1.00 1.98 H new ATOM 1610 N ASN B 73 -2.955 9.318 -2.017 1.00 1.74 N ATOM 1611 CA ASN B 73 -4.336 9.355 -2.484 1.00 2.04 C ATOM 1612 C ASN B 73 -4.400 10.158 -3.773 1.00 2.10 C ATOM 1613 O ASN B 73 -4.927 9.693 -4.785 1.00 2.56 O ATOM 1614 CB ASN B 73 -5.270 9.986 -1.443 1.00 2.45 C ATOM 1615 CG ASN B 73 -6.725 9.615 -1.667 1.00 3.02 C ATOM 1616 OD1 ASN B 73 -6.985 8.340 -1.924 1.00 3.36 O flip ATOM 1617 ND2 ASN B 73 -7.612 10.460 -1.594 1.00 3.55 N flip ATOM 0 H ASN B 73 -2.299 9.796 -2.635 1.00 1.74 H new ATOM 0 HA ASN B 73 -4.668 8.331 -2.653 1.00 2.04 H new ATOM 0 HB2 ASN B 73 -4.966 9.667 -0.446 1.00 2.45 H new ATOM 0 HB3 ASN B 73 -5.166 11.070 -1.476 1.00 2.45 H new ATOM 0 HD21 ASN B 73 -7.375 11.432 -1.395 1.00 3.55 H new ATOM 0 HD22 ASN B 73 -8.586 10.190 -1.733 1.00 3.55 H new ATOM 1624 N GLU B 74 -3.849 11.366 -3.721 1.00 2.11 N ATOM 1625 CA GLU B 74 -3.814 12.249 -4.878 1.00 2.37 C ATOM 1626 C GLU B 74 -2.635 11.897 -5.777 1.00 2.06 C ATOM 1627 O GLU B 74 -1.773 11.100 -5.402 1.00 2.44 O ATOM 1628 CB GLU B 74 -3.688 13.708 -4.440 1.00 3.12 C ATOM 1629 CG GLU B 74 -4.923 14.267 -3.755 1.00 3.50 C ATOM 1630 CD GLU B 74 -4.794 15.748 -3.467 1.00 4.28 C ATOM 1631 OE1 GLU B 74 -5.067 16.559 -4.376 1.00 4.70 O ATOM 1632 OE2 GLU B 74 -4.403 16.107 -2.340 1.00 4.76 O ATOM 0 H GLU B 74 -3.418 11.757 -2.883 1.00 2.11 H new ATOM 0 HA GLU B 74 -4.746 12.118 -5.428 1.00 2.37 H new ATOM 0 HB2 GLU B 74 -2.839 13.799 -3.762 1.00 3.12 H new ATOM 0 HB3 GLU B 74 -3.465 14.319 -5.315 1.00 3.12 H new ATOM 0 HG2 GLU B 74 -5.795 14.095 -4.385 1.00 3.50 H new ATOM 0 HG3 GLU B 74 -5.094 13.730 -2.822 1.00 3.50 H new ATOM 1639 N GLY B 75 -2.591 12.514 -6.949 1.00 1.96 N ATOM 1640 CA GLY B 75 -1.516 12.259 -7.885 1.00 1.83 C ATOM 1641 C GLY B 75 -0.310 13.142 -7.634 1.00 1.79 C ATOM 1642 O GLY B 75 0.740 12.961 -8.251 1.00 2.16 O ATOM 0 H GLY B 75 -3.285 13.190 -7.269 1.00 1.96 H new ATOM 0 HA2 GLY B 75 -1.218 11.213 -7.815 1.00 1.83 H new ATOM 0 HA3 GLY B 75 -1.876 12.421 -8.901 1.00 1.83 H new ATOM 1646 N GLY B 76 -0.462 14.109 -6.740 1.00 1.70 N ATOM 1647 CA GLY B 76 0.623 15.005 -6.421 1.00 1.72 C ATOM 1648 C GLY B 76 0.529 15.472 -4.974 1.00 1.64 C ATOM 1649 O GLY B 76 -0.551 15.867 -4.523 1.00 1.74 O ATOM 0 H GLY B 76 -1.326 14.287 -6.228 1.00 1.70 H new ATOM 0 HA2 GLY B 76 1.576 14.502 -6.585 1.00 1.72 H new ATOM 0 HA3 GLY B 76 0.598 15.866 -7.089 1.00 1.72 H new ATOM 1653 N PRO B 77 1.637 15.435 -4.216 1.00 1.48 N ATOM 1654 CA PRO B 77 2.936 14.966 -4.694 1.00 1.39 C ATOM 1655 C PRO B 77 3.075 13.447 -4.603 1.00 1.29 C ATOM 1656 O PRO B 77 2.132 12.746 -4.232 1.00 1.33 O ATOM 1657 CB PRO B 77 3.938 15.649 -3.746 1.00 1.36 C ATOM 1658 CG PRO B 77 3.123 16.384 -2.722 1.00 1.41 C ATOM 1659 CD PRO B 77 1.718 15.858 -2.823 1.00 1.46 C ATOM 0 HA PRO B 77 3.090 15.207 -5.746 1.00 1.39 H new ATOM 0 HB2 PRO B 77 4.586 14.913 -3.270 1.00 1.36 H new ATOM 0 HB3 PRO B 77 4.584 16.336 -4.293 1.00 1.36 H new ATOM 0 HG2 PRO B 77 3.524 16.224 -1.721 1.00 1.41 H new ATOM 0 HG3 PRO B 77 3.148 17.458 -2.907 1.00 1.41 H new ATOM 0 HD2 PRO B 77 1.545 15.029 -2.137 1.00 1.46 H new ATOM 0 HD3 PRO B 77 0.980 16.625 -2.589 1.00 1.46 H new ATOM 1667 N SER B 78 4.250 12.944 -4.951 1.00 1.25 N ATOM 1668 CA SER B 78 4.516 11.516 -4.895 1.00 1.17 C ATOM 1669 C SER B 78 5.668 11.232 -3.934 1.00 1.05 C ATOM 1670 O SER B 78 6.565 12.060 -3.768 1.00 1.14 O ATOM 1671 CB SER B 78 4.844 10.988 -6.291 1.00 1.28 C ATOM 1672 OG SER B 78 3.868 11.412 -7.231 1.00 1.47 O ATOM 0 H SER B 78 5.036 13.506 -5.276 1.00 1.25 H new ATOM 0 HA SER B 78 3.625 11.005 -4.529 1.00 1.17 H new ATOM 0 HB2 SER B 78 5.828 11.342 -6.597 1.00 1.28 H new ATOM 0 HB3 SER B 78 4.889 9.899 -6.272 1.00 1.28 H new ATOM 0 HG SER B 78 4.097 11.065 -8.119 1.00 1.47 H new ATOM 1678 N TYR B 79 5.642 10.070 -3.300 1.00 1.02 N ATOM 1679 CA TYR B 79 6.683 9.702 -2.351 1.00 0.93 C ATOM 1680 C TYR B 79 7.574 8.603 -2.919 1.00 0.87 C ATOM 1681 O TYR B 79 7.124 7.764 -3.701 1.00 0.85 O ATOM 1682 CB TYR B 79 6.056 9.249 -1.028 1.00 0.93 C ATOM 1683 CG TYR B 79 5.185 10.301 -0.379 1.00 1.00 C ATOM 1684 CD1 TYR B 79 5.732 11.249 0.479 1.00 1.15 C ATOM 1685 CD2 TYR B 79 3.817 10.352 -0.627 1.00 1.06 C ATOM 1686 CE1 TYR B 79 4.940 12.216 1.070 1.00 1.26 C ATOM 1687 CE2 TYR B 79 3.021 11.318 -0.040 1.00 1.15 C ATOM 1688 CZ TYR B 79 3.586 12.245 0.806 1.00 1.22 C ATOM 1689 OH TYR B 79 2.798 13.209 1.388 1.00 1.35 O ATOM 0 H TYR B 79 4.914 9.367 -3.424 1.00 1.02 H new ATOM 0 HA TYR B 79 7.303 10.579 -2.166 1.00 0.93 H new ATOM 0 HB2 TYR B 79 5.459 8.354 -1.206 1.00 0.93 H new ATOM 0 HB3 TYR B 79 6.850 8.970 -0.336 1.00 0.93 H new ATOM 0 HD1 TYR B 79 6.792 11.230 0.687 1.00 1.15 H new ATOM 0 HD2 TYR B 79 3.370 9.625 -1.289 1.00 1.06 H new ATOM 0 HE1 TYR B 79 5.379 12.945 1.735 1.00 1.26 H new ATOM 0 HE2 TYR B 79 1.961 11.345 -0.244 1.00 1.15 H new ATOM 0 HH TYR B 79 1.869 13.091 1.098 1.00 1.35 H new ATOM 1699 N LYS B 80 8.839 8.625 -2.529 1.00 0.87 N ATOM 1700 CA LYS B 80 9.805 7.640 -2.987 1.00 0.83 C ATOM 1701 C LYS B 80 10.555 7.042 -1.806 1.00 0.77 C ATOM 1702 O LYS B 80 11.260 7.753 -1.091 1.00 0.81 O ATOM 1703 CB LYS B 80 10.799 8.277 -3.963 1.00 0.87 C ATOM 1704 CG LYS B 80 10.325 8.287 -5.410 1.00 0.99 C ATOM 1705 CD LYS B 80 10.307 6.884 -6.002 1.00 1.08 C ATOM 1706 CE LYS B 80 10.147 6.912 -7.510 1.00 1.41 C ATOM 1707 NZ LYS B 80 10.160 5.545 -8.089 1.00 2.14 N ATOM 0 H LYS B 80 9.223 9.322 -1.890 1.00 0.87 H new ATOM 0 HA LYS B 80 9.264 6.846 -3.502 1.00 0.83 H new ATOM 0 HB2 LYS B 80 10.995 9.302 -3.648 1.00 0.87 H new ATOM 0 HB3 LYS B 80 11.745 7.739 -3.905 1.00 0.87 H new ATOM 0 HG2 LYS B 80 9.325 8.718 -5.463 1.00 0.99 H new ATOM 0 HG3 LYS B 80 10.979 8.925 -6.004 1.00 0.99 H new ATOM 0 HD2 LYS B 80 11.232 6.369 -5.744 1.00 1.08 H new ATOM 0 HD3 LYS B 80 9.490 6.313 -5.560 1.00 1.08 H new ATOM 0 HE2 LYS B 80 9.211 7.407 -7.767 1.00 1.41 H new ATOM 0 HE3 LYS B 80 10.951 7.501 -7.950 1.00 1.41 H new ATOM 0 HZ1 LYS B 80 10.672 5.556 -8.994 1.00 2.14 H new ATOM 0 HZ2 LYS B 80 10.634 4.894 -7.431 1.00 2.14 H new ATOM 0 HZ3 LYS B 80 9.183 5.226 -8.248 1.00 2.14 H new ATOM 1721 N LEU B 81 10.397 5.743 -1.601 1.00 0.70 N ATOM 1722 CA LEU B 81 11.064 5.062 -0.501 1.00 0.67 C ATOM 1723 C LEU B 81 12.355 4.408 -0.983 1.00 0.63 C ATOM 1724 O LEU B 81 12.325 3.487 -1.801 1.00 0.60 O ATOM 1725 CB LEU B 81 10.137 4.012 0.119 1.00 0.66 C ATOM 1726 CG LEU B 81 10.425 3.667 1.583 1.00 0.75 C ATOM 1727 CD1 LEU B 81 9.164 3.163 2.267 1.00 0.87 C ATOM 1728 CD2 LEU B 81 11.528 2.625 1.686 1.00 1.13 C ATOM 0 H LEU B 81 9.814 5.140 -2.181 1.00 0.70 H new ATOM 0 HA LEU B 81 11.312 5.801 0.261 1.00 0.67 H new ATOM 0 HB2 LEU B 81 9.110 4.368 0.042 1.00 0.66 H new ATOM 0 HB3 LEU B 81 10.203 3.099 -0.472 1.00 0.66 H new ATOM 0 HG LEU B 81 10.760 4.574 2.086 1.00 0.75 H new ATOM 0 HD11 LEU B 81 9.386 2.922 3.307 1.00 0.87 H new ATOM 0 HD12 LEU B 81 8.396 3.936 2.229 1.00 0.87 H new ATOM 0 HD13 LEU B 81 8.805 2.269 1.756 1.00 0.87 H new ATOM 0 HD21 LEU B 81 11.715 2.396 2.735 1.00 1.13 H new ATOM 0 HD22 LEU B 81 11.221 1.718 1.166 1.00 1.13 H new ATOM 0 HD23 LEU B 81 12.439 3.014 1.231 1.00 1.13 H new ATOM 1740 N PRO B 82 13.503 4.891 -0.492 1.00 0.68 N ATOM 1741 CA PRO B 82 14.809 4.357 -0.867 1.00 0.70 C ATOM 1742 C PRO B 82 15.169 3.087 -0.100 1.00 0.69 C ATOM 1743 O PRO B 82 15.593 3.142 1.054 1.00 0.73 O ATOM 1744 CB PRO B 82 15.755 5.501 -0.506 1.00 0.77 C ATOM 1745 CG PRO B 82 15.104 6.185 0.649 1.00 0.78 C ATOM 1746 CD PRO B 82 13.617 6.010 0.467 1.00 0.77 C ATOM 0 HA PRO B 82 14.851 4.059 -1.915 1.00 0.70 H new ATOM 0 HB2 PRO B 82 16.743 5.127 -0.238 1.00 0.77 H new ATOM 0 HB3 PRO B 82 15.889 6.183 -1.345 1.00 0.77 H new ATOM 0 HG2 PRO B 82 15.433 5.751 1.593 1.00 0.78 H new ATOM 0 HG3 PRO B 82 15.370 7.242 0.674 1.00 0.78 H new ATOM 0 HD2 PRO B 82 13.124 5.778 1.411 1.00 0.77 H new ATOM 0 HD3 PRO B 82 13.153 6.917 0.079 1.00 0.77 H new ATOM 1754 N TYR B 83 14.995 1.942 -0.742 1.00 0.69 N ATOM 1755 CA TYR B 83 15.303 0.662 -0.120 1.00 0.70 C ATOM 1756 C TYR B 83 16.680 0.173 -0.560 1.00 0.74 C ATOM 1757 O TYR B 83 17.086 0.394 -1.701 1.00 0.78 O ATOM 1758 CB TYR B 83 14.231 -0.374 -0.473 1.00 0.75 C ATOM 1759 CG TYR B 83 14.476 -1.748 0.121 1.00 0.80 C ATOM 1760 CD1 TYR B 83 14.645 -1.918 1.491 1.00 0.82 C ATOM 1761 CD2 TYR B 83 14.536 -2.876 -0.690 1.00 0.87 C ATOM 1762 CE1 TYR B 83 14.867 -3.171 2.032 1.00 0.89 C ATOM 1763 CE2 TYR B 83 14.758 -4.131 -0.154 1.00 0.93 C ATOM 1764 CZ TYR B 83 14.923 -4.274 1.207 1.00 0.94 C ATOM 1765 OH TYR B 83 15.138 -5.525 1.745 1.00 1.02 O ATOM 0 H TYR B 83 14.641 1.872 -1.696 1.00 0.69 H new ATOM 0 HA TYR B 83 15.313 0.796 0.962 1.00 0.70 H new ATOM 0 HB2 TYR B 83 13.263 -0.010 -0.130 1.00 0.75 H new ATOM 0 HB3 TYR B 83 14.172 -0.464 -1.558 1.00 0.75 H new ATOM 0 HD1 TYR B 83 14.602 -1.058 2.143 1.00 0.82 H new ATOM 0 HD2 TYR B 83 14.407 -2.770 -1.757 1.00 0.87 H new ATOM 0 HE1 TYR B 83 14.996 -3.285 3.098 1.00 0.89 H new ATOM 0 HE2 TYR B 83 14.802 -4.996 -0.799 1.00 0.93 H new ATOM 0 HH TYR B 83 15.662 -5.441 2.569 1.00 1.02 H new ATOM 1775 N ASN B 84 17.390 -0.484 0.349 1.00 0.76 N ATOM 1776 CA ASN B 84 18.716 -1.015 0.056 1.00 0.84 C ATOM 1777 C ASN B 84 18.663 -2.537 -0.035 1.00 0.93 C ATOM 1778 O ASN B 84 17.898 -3.175 0.684 1.00 0.95 O ATOM 1779 CB ASN B 84 19.714 -0.565 1.128 1.00 0.86 C ATOM 1780 CG ASN B 84 21.038 -1.304 1.061 1.00 1.63 C ATOM 1781 OD1 ASN B 84 21.354 -2.117 1.928 1.00 2.01 O ATOM 1782 ND2 ASN B 84 21.820 -1.039 0.030 1.00 2.53 N ATOM 0 H ASN B 84 17.068 -0.663 1.300 1.00 0.76 H new ATOM 0 HA ASN B 84 19.051 -0.626 -0.906 1.00 0.84 H new ATOM 0 HB2 ASN B 84 19.896 0.504 1.019 1.00 0.86 H new ATOM 0 HB3 ASN B 84 19.271 -0.715 2.113 1.00 0.86 H new ATOM 0 HD21 ASN B 84 22.717 -1.515 -0.065 1.00 2.53 H new ATOM 0 HD22 ASN B 84 21.527 -0.359 -0.671 1.00 2.53 H new ATOM 1789 N THR B 85 19.475 -3.107 -0.925 1.00 1.07 N ATOM 1790 CA THR B 85 19.521 -4.554 -1.140 1.00 1.20 C ATOM 1791 C THR B 85 19.783 -5.338 0.148 1.00 1.16 C ATOM 1792 O THR B 85 19.120 -6.342 0.420 1.00 1.39 O ATOM 1793 CB THR B 85 20.615 -4.911 -2.163 1.00 1.34 C ATOM 1794 OG1 THR B 85 21.750 -4.053 -1.976 1.00 1.53 O ATOM 1795 CG2 THR B 85 20.094 -4.777 -3.587 1.00 1.79 C ATOM 0 H THR B 85 20.118 -2.581 -1.516 1.00 1.07 H new ATOM 0 HA THR B 85 18.537 -4.837 -1.515 1.00 1.20 H new ATOM 0 HB THR B 85 20.911 -5.948 -2.004 1.00 1.34 H new ATOM 0 HG1 THR B 85 21.708 -3.311 -2.615 1.00 1.53 H new ATOM 0 HG21 THR B 85 20.886 -5.035 -4.290 1.00 1.79 H new ATOM 0 HG22 THR B 85 19.249 -5.450 -3.730 1.00 1.79 H new ATOM 0 HG23 THR B 85 19.774 -3.750 -3.762 1.00 1.79 H new ATOM 1803 N SER B 86 20.744 -4.879 0.935 1.00 1.23 N ATOM 1804 CA SER B 86 21.100 -5.550 2.175 1.00 1.24 C ATOM 1805 C SER B 86 20.554 -4.805 3.391 1.00 1.22 C ATOM 1806 O SER B 86 21.311 -4.411 4.282 1.00 1.43 O ATOM 1807 CB SER B 86 22.622 -5.672 2.271 1.00 1.53 C ATOM 1808 OG SER B 86 23.162 -6.204 1.069 1.00 1.95 O ATOM 0 H SER B 86 21.292 -4.042 0.736 1.00 1.23 H new ATOM 0 HA SER B 86 20.652 -6.543 2.168 1.00 1.24 H new ATOM 0 HB2 SER B 86 23.058 -4.693 2.469 1.00 1.53 H new ATOM 0 HB3 SER B 86 22.888 -6.315 3.110 1.00 1.53 H new ATOM 0 HG SER B 86 24.136 -6.272 1.150 1.00 1.95 H new ATOM 1814 N ASP B 87 19.244 -4.616 3.436 1.00 1.20 N ATOM 1815 CA ASP B 87 18.622 -3.920 4.555 1.00 1.43 C ATOM 1816 C ASP B 87 17.318 -4.597 4.958 1.00 1.19 C ATOM 1817 O ASP B 87 16.725 -5.337 4.169 1.00 1.33 O ATOM 1818 CB ASP B 87 18.369 -2.455 4.203 1.00 1.99 C ATOM 1819 CG ASP B 87 18.218 -1.579 5.432 1.00 2.54 C ATOM 1820 OD1 ASP B 87 18.485 -2.063 6.554 1.00 2.92 O ATOM 1821 OD2 ASP B 87 17.850 -0.396 5.279 1.00 2.97 O ATOM 0 H ASP B 87 18.594 -4.932 2.717 1.00 1.20 H new ATOM 0 HA ASP B 87 19.308 -3.963 5.401 1.00 1.43 H new ATOM 0 HB2 ASP B 87 19.194 -2.083 3.595 1.00 1.99 H new ATOM 0 HB3 ASP B 87 17.467 -2.381 3.595 1.00 1.99 H new ATOM 1826 N ASP B 88 16.886 -4.338 6.184 1.00 1.18 N ATOM 1827 CA ASP B 88 15.661 -4.919 6.718 1.00 1.09 C ATOM 1828 C ASP B 88 14.456 -4.088 6.289 1.00 0.98 C ATOM 1829 O ASP B 88 14.440 -2.876 6.491 1.00 0.95 O ATOM 1830 CB ASP B 88 15.744 -4.993 8.249 1.00 1.31 C ATOM 1831 CG ASP B 88 14.556 -5.693 8.881 1.00 1.86 C ATOM 1832 OD1 ASP B 88 13.446 -5.131 8.863 1.00 2.12 O ATOM 1833 OD2 ASP B 88 14.736 -6.805 9.427 1.00 2.55 O ATOM 0 H ASP B 88 17.372 -3.722 6.835 1.00 1.18 H new ATOM 0 HA ASP B 88 15.543 -5.928 6.324 1.00 1.09 H new ATOM 0 HB2 ASP B 88 16.658 -5.516 8.532 1.00 1.31 H new ATOM 0 HB3 ASP B 88 15.818 -3.983 8.651 1.00 1.31 H new ATOM 1838 N PRO B 89 13.427 -4.736 5.712 1.00 0.95 N ATOM 1839 CA PRO B 89 12.216 -4.056 5.228 1.00 0.90 C ATOM 1840 C PRO B 89 11.560 -3.155 6.273 1.00 0.89 C ATOM 1841 O PRO B 89 11.074 -2.073 5.942 1.00 0.85 O ATOM 1842 CB PRO B 89 11.267 -5.204 4.850 1.00 0.96 C ATOM 1843 CG PRO B 89 11.880 -6.441 5.415 1.00 0.79 C ATOM 1844 CD PRO B 89 13.358 -6.183 5.484 1.00 1.00 C ATOM 0 HA PRO B 89 12.457 -3.388 4.401 1.00 0.90 H new ATOM 0 HB2 PRO B 89 10.271 -5.039 5.260 1.00 0.96 H new ATOM 0 HB3 PRO B 89 11.158 -5.281 3.768 1.00 0.96 H new ATOM 0 HG2 PRO B 89 11.476 -6.659 6.404 1.00 0.79 H new ATOM 0 HG3 PRO B 89 11.665 -7.305 4.786 1.00 0.79 H new ATOM 0 HD2 PRO B 89 13.829 -6.742 6.293 1.00 1.00 H new ATOM 0 HD3 PRO B 89 13.862 -6.471 4.562 1.00 1.00 H new ATOM 1852 N TRP B 90 11.559 -3.586 7.529 1.00 0.97 N ATOM 1853 CA TRP B 90 10.945 -2.808 8.594 1.00 1.01 C ATOM 1854 C TRP B 90 11.809 -1.603 8.959 1.00 0.99 C ATOM 1855 O TRP B 90 11.293 -0.517 9.231 1.00 0.96 O ATOM 1856 CB TRP B 90 10.716 -3.678 9.833 1.00 1.13 C ATOM 1857 CG TRP B 90 9.582 -4.647 9.685 1.00 1.32 C ATOM 1858 CD1 TRP B 90 8.261 -4.400 9.923 1.00 1.47 C ATOM 1859 CD2 TRP B 90 9.667 -6.015 9.269 1.00 2.16 C ATOM 1860 NE1 TRP B 90 7.519 -5.532 9.688 1.00 2.14 N ATOM 1861 CE2 TRP B 90 8.357 -6.537 9.283 1.00 2.56 C ATOM 1862 CE3 TRP B 90 10.719 -6.855 8.890 1.00 2.87 C ATOM 1863 CZ2 TRP B 90 8.075 -7.852 8.926 1.00 3.50 C ATOM 1864 CZ3 TRP B 90 10.437 -8.161 8.536 1.00 3.79 C ATOM 1865 CH2 TRP B 90 9.124 -8.650 8.558 1.00 4.06 C ATOM 0 H TRP B 90 11.975 -4.466 7.832 1.00 0.97 H new ATOM 0 HA TRP B 90 9.982 -2.448 8.231 1.00 1.01 H new ATOM 0 HB2 TRP B 90 11.629 -4.231 10.052 1.00 1.13 H new ATOM 0 HB3 TRP B 90 10.522 -3.032 10.689 1.00 1.13 H new ATOM 0 HD1 TRP B 90 7.858 -3.453 10.249 1.00 1.47 H new ATOM 0 HE1 TRP B 90 6.508 -5.611 9.797 1.00 2.14 H new ATOM 0 HE3 TRP B 90 11.735 -6.489 8.874 1.00 2.87 H new ATOM 0 HZ2 TRP B 90 7.063 -8.230 8.939 1.00 3.50 H new ATOM 0 HZ3 TRP B 90 11.242 -8.816 8.237 1.00 3.79 H new ATOM 0 HH2 TRP B 90 8.936 -9.676 8.279 1.00 4.06 H new ATOM 1876 N LEU B 91 13.123 -1.798 8.940 1.00 1.03 N ATOM 1877 CA LEU B 91 14.058 -0.732 9.279 1.00 1.05 C ATOM 1878 C LEU B 91 14.041 0.369 8.226 1.00 0.97 C ATOM 1879 O LEU B 91 13.920 1.549 8.561 1.00 0.99 O ATOM 1880 CB LEU B 91 15.476 -1.286 9.444 1.00 1.14 C ATOM 1881 CG LEU B 91 15.700 -2.132 10.698 1.00 1.32 C ATOM 1882 CD1 LEU B 91 17.138 -2.609 10.770 1.00 1.39 C ATOM 1883 CD2 LEU B 91 15.335 -1.342 11.947 1.00 1.43 C ATOM 0 H LEU B 91 13.564 -2.684 8.694 1.00 1.03 H new ATOM 0 HA LEU B 91 13.740 -0.301 10.228 1.00 1.05 H new ATOM 0 HB2 LEU B 91 15.718 -1.890 8.569 1.00 1.14 H new ATOM 0 HB3 LEU B 91 16.176 -0.451 9.458 1.00 1.14 H new ATOM 0 HG LEU B 91 15.052 -3.006 10.643 1.00 1.32 H new ATOM 0 HD11 LEU B 91 17.278 -3.209 11.669 1.00 1.39 H new ATOM 0 HD12 LEU B 91 17.365 -3.213 9.892 1.00 1.39 H new ATOM 0 HD13 LEU B 91 17.806 -1.748 10.801 1.00 1.39 H new ATOM 0 HD21 LEU B 91 15.501 -1.960 12.830 1.00 1.43 H new ATOM 0 HD22 LEU B 91 15.957 -0.449 12.007 1.00 1.43 H new ATOM 0 HD23 LEU B 91 14.286 -1.051 11.900 1.00 1.43 H new ATOM 1895 N THR B 92 14.145 -0.012 6.959 1.00 0.92 N ATOM 1896 CA THR B 92 14.141 0.962 5.876 1.00 0.88 C ATOM 1897 C THR B 92 12.800 1.686 5.802 1.00 0.81 C ATOM 1898 O THR B 92 12.740 2.873 5.475 1.00 0.82 O ATOM 1899 CB THR B 92 14.449 0.305 4.522 1.00 0.92 C ATOM 1900 OG1 THR B 92 15.244 -0.870 4.721 1.00 0.97 O ATOM 1901 CG2 THR B 92 15.197 1.271 3.611 1.00 1.06 C ATOM 0 H THR B 92 14.233 -0.983 6.658 1.00 0.92 H new ATOM 0 HA THR B 92 14.927 1.685 6.093 1.00 0.88 H new ATOM 0 HB THR B 92 13.504 0.035 4.050 1.00 0.92 H new ATOM 0 HG1 THR B 92 16.190 -0.620 4.772 1.00 0.97 H new ATOM 0 HG21 THR B 92 15.405 0.785 2.658 1.00 1.06 H new ATOM 0 HG22 THR B 92 14.586 2.158 3.441 1.00 1.06 H new ATOM 0 HG23 THR B 92 16.136 1.562 4.082 1.00 1.06 H new ATOM 1909 N ALA B 93 11.724 0.969 6.114 1.00 0.79 N ATOM 1910 CA ALA B 93 10.393 1.559 6.100 1.00 0.79 C ATOM 1911 C ALA B 93 10.285 2.630 7.177 1.00 0.84 C ATOM 1912 O ALA B 93 9.783 3.727 6.932 1.00 0.84 O ATOM 1913 CB ALA B 93 9.328 0.493 6.305 1.00 0.82 C ATOM 0 H ALA B 93 11.749 -0.016 6.378 1.00 0.79 H new ATOM 0 HA ALA B 93 10.230 2.020 5.126 1.00 0.79 H new ATOM 0 HB1 ALA B 93 8.342 0.957 6.291 1.00 0.82 H new ATOM 0 HB2 ALA B 93 9.393 -0.245 5.506 1.00 0.82 H new ATOM 0 HB3 ALA B 93 9.485 0.002 7.266 1.00 0.82 H new ATOM 1919 N TYR B 94 10.783 2.307 8.365 1.00 0.93 N ATOM 1920 CA TYR B 94 10.756 3.236 9.487 1.00 1.04 C ATOM 1921 C TYR B 94 11.675 4.421 9.212 1.00 1.05 C ATOM 1922 O TYR B 94 11.419 5.537 9.663 1.00 1.10 O ATOM 1923 CB TYR B 94 11.178 2.531 10.776 1.00 1.17 C ATOM 1924 CG TYR B 94 10.652 3.198 12.028 1.00 1.28 C ATOM 1925 CD1 TYR B 94 9.416 2.843 12.556 1.00 1.35 C ATOM 1926 CD2 TYR B 94 11.385 4.185 12.678 1.00 1.44 C ATOM 1927 CE1 TYR B 94 8.928 3.450 13.695 1.00 1.50 C ATOM 1928 CE2 TYR B 94 10.900 4.796 13.817 1.00 1.57 C ATOM 1929 CZ TYR B 94 9.672 4.427 14.320 1.00 1.57 C ATOM 1930 OH TYR B 94 9.185 5.037 15.449 1.00 1.76 O ATOM 0 H TYR B 94 11.211 1.406 8.576 1.00 0.93 H new ATOM 0 HA TYR B 94 9.736 3.601 9.609 1.00 1.04 H new ATOM 0 HB2 TYR B 94 10.827 1.499 10.748 1.00 1.17 H new ATOM 0 HB3 TYR B 94 12.266 2.496 10.822 1.00 1.17 H new ATOM 0 HD1 TYR B 94 8.828 2.080 12.067 1.00 1.35 H new ATOM 0 HD2 TYR B 94 12.348 4.478 12.286 1.00 1.44 H new ATOM 0 HE1 TYR B 94 7.967 3.161 14.095 1.00 1.50 H new ATOM 0 HE2 TYR B 94 11.481 5.560 14.312 1.00 1.57 H new ATOM 0 HH TYR B 94 9.832 5.701 15.767 1.00 1.76 H new ATOM 1940 N ASN B 95 12.742 4.162 8.460 1.00 1.03 N ATOM 1941 CA ASN B 95 13.710 5.192 8.095 1.00 1.08 C ATOM 1942 C ASN B 95 13.019 6.312 7.326 1.00 1.04 C ATOM 1943 O ASN B 95 13.130 7.485 7.678 1.00 1.12 O ATOM 1944 CB ASN B 95 14.834 4.582 7.246 1.00 1.08 C ATOM 1945 CG ASN B 95 16.079 5.449 7.186 1.00 1.09 C ATOM 1946 OD1 ASN B 95 16.016 6.669 7.326 1.00 1.22 O ATOM 1947 ND2 ASN B 95 17.225 4.818 6.975 1.00 1.47 N ATOM 0 H ASN B 95 12.959 3.237 8.088 1.00 1.03 H new ATOM 0 HA ASN B 95 14.143 5.607 9.005 1.00 1.08 H new ATOM 0 HB2 ASN B 95 15.099 3.606 7.653 1.00 1.08 H new ATOM 0 HB3 ASN B 95 14.466 4.416 6.234 1.00 1.08 H new ATOM 0 HD21 ASN B 95 18.096 5.346 6.924 1.00 1.47 H new ATOM 0 HD22 ASN B 95 17.236 3.804 6.864 1.00 1.47 H new ATOM 1954 N PHE B 96 12.285 5.942 6.285 1.00 0.93 N ATOM 1955 CA PHE B 96 11.566 6.922 5.482 1.00 0.91 C ATOM 1956 C PHE B 96 10.384 7.487 6.268 1.00 0.91 C ATOM 1957 O PHE B 96 10.016 8.655 6.112 1.00 0.92 O ATOM 1958 CB PHE B 96 11.085 6.287 4.174 1.00 0.88 C ATOM 1959 CG PHE B 96 10.463 7.266 3.212 1.00 0.97 C ATOM 1960 CD1 PHE B 96 11.188 8.348 2.737 1.00 1.16 C ATOM 1961 CD2 PHE B 96 9.150 7.106 2.789 1.00 0.99 C ATOM 1962 CE1 PHE B 96 10.619 9.250 1.856 1.00 1.32 C ATOM 1963 CE2 PHE B 96 8.576 8.004 1.909 1.00 1.19 C ATOM 1964 CZ PHE B 96 9.311 9.079 1.444 1.00 1.33 C ATOM 0 H PHE B 96 12.172 4.976 5.978 1.00 0.93 H new ATOM 0 HA PHE B 96 12.244 7.741 5.241 1.00 0.91 H new ATOM 0 HB2 PHE B 96 11.929 5.800 3.686 1.00 0.88 H new ATOM 0 HB3 PHE B 96 10.358 5.508 4.405 1.00 0.88 H new ATOM 0 HD1 PHE B 96 12.209 8.488 3.059 1.00 1.16 H new ATOM 0 HD2 PHE B 96 8.571 6.270 3.152 1.00 0.99 H new ATOM 0 HE1 PHE B 96 11.196 10.087 1.491 1.00 1.32 H new ATOM 0 HE2 PHE B 96 7.555 7.866 1.585 1.00 1.19 H new ATOM 0 HZ PHE B 96 8.863 9.784 0.760 1.00 1.33 H new ATOM 1974 N LEU B 97 9.808 6.651 7.124 1.00 0.93 N ATOM 1975 CA LEU B 97 8.670 7.041 7.948 1.00 1.00 C ATOM 1976 C LEU B 97 9.028 8.214 8.853 1.00 1.09 C ATOM 1977 O LEU B 97 8.285 9.189 8.938 1.00 1.10 O ATOM 1978 CB LEU B 97 8.202 5.859 8.798 1.00 1.06 C ATOM 1979 CG LEU B 97 6.884 6.073 9.544 1.00 1.28 C ATOM 1980 CD1 LEU B 97 5.706 5.670 8.673 1.00 1.30 C ATOM 1981 CD2 LEU B 97 6.880 5.294 10.850 1.00 1.48 C ATOM 0 H LEU B 97 10.115 5.689 7.266 1.00 0.93 H new ATOM 0 HA LEU B 97 7.863 7.349 7.283 1.00 1.00 H new ATOM 0 HB2 LEU B 97 8.098 4.987 8.152 1.00 1.06 H new ATOM 0 HB3 LEU B 97 8.979 5.626 9.526 1.00 1.06 H new ATOM 0 HG LEU B 97 6.787 7.133 9.778 1.00 1.28 H new ATOM 0 HD11 LEU B 97 4.777 5.829 9.221 1.00 1.30 H new ATOM 0 HD12 LEU B 97 5.701 6.274 7.766 1.00 1.30 H new ATOM 0 HD13 LEU B 97 5.794 4.617 8.407 1.00 1.30 H new ATOM 0 HD21 LEU B 97 5.935 5.457 11.368 1.00 1.48 H new ATOM 0 HD22 LEU B 97 7.000 4.231 10.640 1.00 1.48 H new ATOM 0 HD23 LEU B 97 7.702 5.634 11.479 1.00 1.48 H new ATOM 1993 N GLN B 98 10.174 8.121 9.519 1.00 1.19 N ATOM 1994 CA GLN B 98 10.617 9.182 10.418 1.00 1.31 C ATOM 1995 C GLN B 98 11.213 10.343 9.626 1.00 1.30 C ATOM 1996 O GLN B 98 11.273 11.472 10.111 1.00 1.39 O ATOM 1997 CB GLN B 98 11.641 8.651 11.428 1.00 1.43 C ATOM 1998 CG GLN B 98 12.968 8.248 10.807 1.00 2.02 C ATOM 1999 CD GLN B 98 14.056 8.025 11.838 1.00 2.69 C ATOM 2000 OE1 GLN B 98 13.796 7.567 12.953 1.00 2.73 O ATOM 2001 NE2 GLN B 98 15.281 8.363 11.477 1.00 3.60 N ATOM 0 H GLN B 98 10.810 7.327 9.454 1.00 1.19 H new ATOM 0 HA GLN B 98 9.747 9.543 10.967 1.00 1.31 H new ATOM 0 HB2 GLN B 98 11.822 9.416 12.183 1.00 1.43 H new ATOM 0 HB3 GLN B 98 11.216 7.789 11.943 1.00 1.43 H new ATOM 0 HG2 GLN B 98 12.830 7.335 10.228 1.00 2.02 H new ATOM 0 HG3 GLN B 98 13.288 9.023 10.110 1.00 2.02 H new ATOM 0 HE21 GLN B 98 15.453 8.738 10.544 1.00 3.60 H new ATOM 0 HE22 GLN B 98 16.055 8.248 12.131 1.00 3.60 H new ATOM 2010 N LYS B 99 11.639 10.056 8.401 1.00 1.21 N ATOM 2011 CA LYS B 99 12.227 11.068 7.532 1.00 1.23 C ATOM 2012 C LYS B 99 11.194 12.132 7.174 1.00 1.18 C ATOM 2013 O LYS B 99 11.479 13.328 7.223 1.00 1.22 O ATOM 2014 CB LYS B 99 12.789 10.415 6.257 1.00 1.19 C ATOM 2015 CG LYS B 99 13.515 11.381 5.331 1.00 1.18 C ATOM 2016 CD LYS B 99 12.598 11.899 4.230 1.00 1.26 C ATOM 2017 CE LYS B 99 13.155 13.160 3.592 1.00 1.39 C ATOM 2018 NZ LYS B 99 12.137 13.874 2.770 1.00 1.59 N ATOM 0 H LYS B 99 11.587 9.126 7.986 1.00 1.21 H new ATOM 0 HA LYS B 99 13.046 11.550 8.067 1.00 1.23 H new ATOM 0 HB2 LYS B 99 13.475 9.618 6.542 1.00 1.19 H new ATOM 0 HB3 LYS B 99 11.970 9.950 5.709 1.00 1.19 H new ATOM 0 HG2 LYS B 99 13.900 12.221 5.910 1.00 1.18 H new ATOM 0 HG3 LYS B 99 14.374 10.881 4.884 1.00 1.18 H new ATOM 0 HD2 LYS B 99 12.471 11.130 3.468 1.00 1.26 H new ATOM 0 HD3 LYS B 99 11.611 12.104 4.643 1.00 1.26 H new ATOM 0 HE2 LYS B 99 13.523 13.827 4.372 1.00 1.39 H new ATOM 0 HE3 LYS B 99 14.009 12.901 2.965 1.00 1.39 H new ATOM 0 HZ1 LYS B 99 12.129 14.882 3.026 1.00 1.59 H new ATOM 0 HZ2 LYS B 99 12.373 13.774 1.762 1.00 1.59 H new ATOM 0 HZ3 LYS B 99 11.198 13.465 2.948 1.00 1.59 H new ATOM 2032 N ASN B 100 9.992 11.697 6.826 1.00 1.12 N ATOM 2033 CA ASN B 100 8.932 12.623 6.450 1.00 1.11 C ATOM 2034 C ASN B 100 7.874 12.734 7.541 1.00 1.13 C ATOM 2035 O ASN B 100 6.855 13.405 7.360 1.00 1.12 O ATOM 2036 CB ASN B 100 8.287 12.181 5.140 1.00 1.07 C ATOM 2037 CG ASN B 100 8.513 13.179 4.022 1.00 1.32 C ATOM 2038 OD1 ASN B 100 9.512 13.107 3.303 1.00 1.75 O ATOM 2039 ND2 ASN B 100 7.595 14.120 3.869 1.00 1.49 N ATOM 0 H ASN B 100 9.726 10.713 6.796 1.00 1.12 H new ATOM 0 HA ASN B 100 9.382 13.607 6.317 1.00 1.11 H new ATOM 0 HB2 ASN B 100 8.692 11.212 4.847 1.00 1.07 H new ATOM 0 HB3 ASN B 100 7.216 12.046 5.292 1.00 1.07 H new ATOM 0 HD21 ASN B 100 7.700 14.820 3.135 1.00 1.49 H new ATOM 0 HD22 ASN B 100 6.782 14.145 4.485 1.00 1.49 H new ATOM 2046 N ASP B 101 8.130 12.068 8.667 1.00 1.19 N ATOM 2047 CA ASP B 101 7.219 12.069 9.816 1.00 1.24 C ATOM 2048 C ASP B 101 5.822 11.601 9.413 1.00 1.23 C ATOM 2049 O ASP B 101 4.869 12.385 9.396 1.00 1.33 O ATOM 2050 CB ASP B 101 7.148 13.455 10.463 1.00 1.27 C ATOM 2051 CG ASP B 101 8.170 13.633 11.568 1.00 1.36 C ATOM 2052 OD1 ASP B 101 9.373 13.764 11.260 1.00 1.84 O ATOM 2053 OD2 ASP B 101 7.772 13.657 12.754 1.00 1.79 O ATOM 0 H ASP B 101 8.973 11.513 8.810 1.00 1.19 H new ATOM 0 HA ASP B 101 7.617 11.367 10.549 1.00 1.24 H new ATOM 0 HB2 ASP B 101 7.306 14.217 9.700 1.00 1.27 H new ATOM 0 HB3 ASP B 101 6.148 13.612 10.868 1.00 1.27 H new ATOM 2058 N LEU B 102 5.715 10.324 9.077 1.00 1.15 N ATOM 2059 CA LEU B 102 4.445 9.740 8.666 1.00 1.17 C ATOM 2060 C LEU B 102 3.846 8.898 9.791 1.00 1.23 C ATOM 2061 O LEU B 102 4.540 8.531 10.741 1.00 1.28 O ATOM 2062 CB LEU B 102 4.632 8.881 7.409 1.00 1.11 C ATOM 2063 CG LEU B 102 4.160 9.514 6.094 1.00 1.26 C ATOM 2064 CD1 LEU B 102 2.717 9.982 6.201 1.00 1.96 C ATOM 2065 CD2 LEU B 102 5.070 10.663 5.695 1.00 1.50 C ATOM 0 H LEU B 102 6.497 9.669 9.081 1.00 1.15 H new ATOM 0 HA LEU B 102 3.756 10.554 8.438 1.00 1.17 H new ATOM 0 HB2 LEU B 102 5.690 8.635 7.313 1.00 1.11 H new ATOM 0 HB3 LEU B 102 4.098 7.941 7.551 1.00 1.11 H new ATOM 0 HG LEU B 102 4.209 8.752 5.316 1.00 1.26 H new ATOM 0 HD11 LEU B 102 2.408 10.427 5.255 1.00 1.96 H new ATOM 0 HD12 LEU B 102 2.075 9.132 6.429 1.00 1.96 H new ATOM 0 HD13 LEU B 102 2.633 10.724 6.995 1.00 1.96 H new ATOM 0 HD21 LEU B 102 4.718 11.098 4.760 1.00 1.50 H new ATOM 0 HD22 LEU B 102 5.059 11.424 6.476 1.00 1.50 H new ATOM 0 HD23 LEU B 102 6.087 10.293 5.563 1.00 1.50 H new ATOM 2077 N ASN B 103 2.558 8.599 9.674 1.00 1.25 N ATOM 2078 CA ASN B 103 1.848 7.805 10.674 1.00 1.31 C ATOM 2079 C ASN B 103 2.243 6.328 10.578 1.00 1.23 C ATOM 2080 O ASN B 103 2.417 5.804 9.476 1.00 1.14 O ATOM 2081 CB ASN B 103 0.333 7.965 10.484 1.00 1.37 C ATOM 2082 CG ASN B 103 -0.474 7.224 11.535 1.00 1.43 C ATOM 2083 OD1 ASN B 103 -0.801 6.052 11.366 1.00 1.34 O ATOM 2084 ND2 ASN B 103 -0.792 7.900 12.628 1.00 1.84 N ATOM 0 H ASN B 103 1.978 8.897 8.890 1.00 1.25 H new ATOM 0 HA ASN B 103 2.125 8.165 11.665 1.00 1.31 H new ATOM 0 HB2 ASN B 103 0.077 9.024 10.516 1.00 1.37 H new ATOM 0 HB3 ASN B 103 0.055 7.600 9.495 1.00 1.37 H new ATOM 0 HD21 ASN B 103 -1.328 7.448 13.369 1.00 1.84 H new ATOM 0 HD22 ASN B 103 -0.501 8.872 12.729 1.00 1.84 H new ATOM 2091 N PRO B 104 2.401 5.648 11.737 1.00 1.29 N ATOM 2092 CA PRO B 104 2.784 4.224 11.805 1.00 1.25 C ATOM 2093 C PRO B 104 1.960 3.296 10.901 1.00 1.19 C ATOM 2094 O PRO B 104 2.433 2.226 10.527 1.00 1.15 O ATOM 2095 CB PRO B 104 2.549 3.870 13.273 1.00 1.34 C ATOM 2096 CG PRO B 104 2.768 5.150 14.000 1.00 1.55 C ATOM 2097 CD PRO B 104 2.251 6.229 13.090 1.00 1.41 C ATOM 0 HA PRO B 104 3.807 4.086 11.454 1.00 1.25 H new ATOM 0 HB2 PRO B 104 1.541 3.489 13.434 1.00 1.34 H new ATOM 0 HB3 PRO B 104 3.239 3.097 13.611 1.00 1.34 H new ATOM 0 HG2 PRO B 104 2.239 5.155 14.953 1.00 1.55 H new ATOM 0 HG3 PRO B 104 3.825 5.298 14.222 1.00 1.55 H new ATOM 0 HD2 PRO B 104 1.211 6.473 13.308 1.00 1.41 H new ATOM 0 HD3 PRO B 104 2.823 7.151 13.196 1.00 1.41 H new ATOM 2105 N MET B 105 0.737 3.692 10.558 1.00 1.21 N ATOM 2106 CA MET B 105 -0.106 2.874 9.682 1.00 1.20 C ATOM 2107 C MET B 105 0.560 2.706 8.319 1.00 1.13 C ATOM 2108 O MET B 105 0.487 1.642 7.700 1.00 1.16 O ATOM 2109 CB MET B 105 -1.494 3.503 9.515 1.00 1.27 C ATOM 2110 CG MET B 105 -2.385 2.772 8.514 1.00 1.26 C ATOM 2111 SD MET B 105 -2.842 1.110 9.050 1.00 1.64 S ATOM 2112 CE MET B 105 -3.909 1.487 10.441 1.00 1.78 C ATOM 0 H MET B 105 0.308 4.564 10.868 1.00 1.21 H new ATOM 0 HA MET B 105 -0.227 1.894 10.143 1.00 1.20 H new ATOM 0 HB2 MET B 105 -1.993 3.523 10.484 1.00 1.27 H new ATOM 0 HB3 MET B 105 -1.377 4.538 9.195 1.00 1.27 H new ATOM 0 HG2 MET B 105 -3.291 3.356 8.350 1.00 1.26 H new ATOM 0 HG3 MET B 105 -1.869 2.709 7.556 1.00 1.26 H new ATOM 0 HE1 MET B 105 -4.505 0.609 10.691 1.00 1.78 H new ATOM 0 HE2 MET B 105 -3.301 1.769 11.300 1.00 1.78 H new ATOM 0 HE3 MET B 105 -4.571 2.312 10.178 1.00 1.78 H new ATOM 2122 N PHE B 106 1.236 3.757 7.874 1.00 1.06 N ATOM 2123 CA PHE B 106 1.926 3.737 6.592 1.00 1.02 C ATOM 2124 C PHE B 106 3.122 2.801 6.653 1.00 0.94 C ATOM 2125 O PHE B 106 3.481 2.177 5.657 1.00 0.87 O ATOM 2126 CB PHE B 106 2.389 5.143 6.210 1.00 1.07 C ATOM 2127 CG PHE B 106 1.275 6.053 5.771 1.00 1.15 C ATOM 2128 CD1 PHE B 106 0.574 6.812 6.694 1.00 1.30 C ATOM 2129 CD2 PHE B 106 0.924 6.143 4.433 1.00 1.28 C ATOM 2130 CE1 PHE B 106 -0.451 7.648 6.290 1.00 1.45 C ATOM 2131 CE2 PHE B 106 -0.098 6.978 4.025 1.00 1.47 C ATOM 2132 CZ PHE B 106 -0.788 7.728 4.954 1.00 1.49 C ATOM 0 H PHE B 106 1.321 4.636 8.384 1.00 1.06 H new ATOM 0 HA PHE B 106 1.230 3.378 5.834 1.00 1.02 H new ATOM 0 HB2 PHE B 106 2.897 5.592 7.064 1.00 1.07 H new ATOM 0 HB3 PHE B 106 3.122 5.068 5.406 1.00 1.07 H new ATOM 0 HD1 PHE B 106 0.831 6.750 7.741 1.00 1.30 H new ATOM 0 HD2 PHE B 106 1.456 5.553 3.701 1.00 1.28 H new ATOM 0 HE1 PHE B 106 -0.987 8.238 7.019 1.00 1.45 H new ATOM 0 HE2 PHE B 106 -0.357 7.043 2.978 1.00 1.47 H new ATOM 0 HZ PHE B 106 -1.591 8.377 4.637 1.00 1.49 H new ATOM 2142 N LEU B 107 3.724 2.707 7.837 1.00 0.98 N ATOM 2143 CA LEU B 107 4.888 1.856 8.060 1.00 0.93 C ATOM 2144 C LEU B 107 4.594 0.411 7.673 1.00 0.89 C ATOM 2145 O LEU B 107 5.349 -0.203 6.921 1.00 0.84 O ATOM 2146 CB LEU B 107 5.318 1.929 9.531 1.00 1.01 C ATOM 2147 CG LEU B 107 6.199 0.779 10.025 1.00 0.95 C ATOM 2148 CD1 LEU B 107 7.642 0.978 9.592 1.00 0.94 C ATOM 2149 CD2 LEU B 107 6.105 0.655 11.537 1.00 1.08 C ATOM 0 H LEU B 107 3.419 3.217 8.666 1.00 0.98 H new ATOM 0 HA LEU B 107 5.700 2.218 7.429 1.00 0.93 H new ATOM 0 HB2 LEU B 107 5.854 2.865 9.687 1.00 1.01 H new ATOM 0 HB3 LEU B 107 4.422 1.967 10.150 1.00 1.01 H new ATOM 0 HG LEU B 107 5.838 -0.147 9.577 1.00 0.95 H new ATOM 0 HD11 LEU B 107 8.248 0.148 9.955 1.00 0.94 H new ATOM 0 HD12 LEU B 107 7.693 1.016 8.504 1.00 0.94 H new ATOM 0 HD13 LEU B 107 8.021 1.912 10.006 1.00 0.94 H new ATOM 0 HD21 LEU B 107 6.737 -0.167 11.875 1.00 1.08 H new ATOM 0 HD22 LEU B 107 6.440 1.583 12.000 1.00 1.08 H new ATOM 0 HD23 LEU B 107 5.071 0.459 11.822 1.00 1.08 H new ATOM 2161 N ASP B 108 3.485 -0.119 8.175 1.00 0.96 N ATOM 2162 CA ASP B 108 3.107 -1.497 7.882 1.00 0.96 C ATOM 2163 C ASP B 108 2.770 -1.667 6.406 1.00 0.90 C ATOM 2164 O ASP B 108 3.161 -2.656 5.784 1.00 0.88 O ATOM 2165 CB ASP B 108 1.912 -1.938 8.737 1.00 1.09 C ATOM 2166 CG ASP B 108 1.646 -3.427 8.611 1.00 1.08 C ATOM 2167 OD1 ASP B 108 2.334 -4.217 9.294 1.00 1.22 O ATOM 2168 OD2 ASP B 108 0.764 -3.818 7.819 1.00 1.40 O ATOM 0 H ASP B 108 2.835 0.380 8.783 1.00 0.96 H new ATOM 0 HA ASP B 108 3.963 -2.127 8.125 1.00 0.96 H new ATOM 0 HB2 ASP B 108 2.101 -1.690 9.781 1.00 1.09 H new ATOM 0 HB3 ASP B 108 1.024 -1.383 8.434 1.00 1.09 H new ATOM 2173 N GLN B 109 2.065 -0.687 5.851 1.00 0.91 N ATOM 2174 CA GLN B 109 1.658 -0.723 4.450 1.00 0.90 C ATOM 2175 C GLN B 109 2.866 -0.756 3.513 1.00 0.86 C ATOM 2176 O GLN B 109 2.949 -1.611 2.630 1.00 0.91 O ATOM 2177 CB GLN B 109 0.781 0.491 4.123 1.00 0.96 C ATOM 2178 CG GLN B 109 0.400 0.587 2.654 1.00 0.92 C ATOM 2179 CD GLN B 109 -0.164 1.946 2.282 1.00 1.16 C ATOM 2180 OE1 GLN B 109 -1.375 2.158 2.291 1.00 1.34 O ATOM 2181 NE2 GLN B 109 0.715 2.882 1.953 1.00 1.66 N ATOM 0 H GLN B 109 1.762 0.147 6.353 1.00 0.91 H new ATOM 0 HA GLN B 109 1.086 -1.638 4.296 1.00 0.90 H new ATOM 0 HB2 GLN B 109 -0.128 0.445 4.723 1.00 0.96 H new ATOM 0 HB3 GLN B 109 1.309 1.399 4.413 1.00 0.96 H new ATOM 0 HG2 GLN B 109 1.278 0.383 2.041 1.00 0.92 H new ATOM 0 HG3 GLN B 109 -0.336 -0.183 2.423 1.00 0.92 H new ATOM 0 HE21 GLN B 109 1.712 2.669 1.957 1.00 1.66 H new ATOM 0 HE22 GLN B 109 0.394 3.815 1.696 1.00 1.66 H new ATOM 2190 N VAL B 110 3.804 0.164 3.710 1.00 0.80 N ATOM 2191 CA VAL B 110 4.984 0.229 2.854 1.00 0.79 C ATOM 2192 C VAL B 110 5.904 -0.967 3.081 1.00 0.76 C ATOM 2193 O VAL B 110 6.530 -1.459 2.142 1.00 0.79 O ATOM 2194 CB VAL B 110 5.774 1.548 3.039 1.00 0.80 C ATOM 2195 CG1 VAL B 110 4.892 2.745 2.721 1.00 0.91 C ATOM 2196 CG2 VAL B 110 6.345 1.665 4.445 1.00 0.75 C ATOM 0 H VAL B 110 3.772 0.869 4.447 1.00 0.80 H new ATOM 0 HA VAL B 110 4.618 0.201 1.828 1.00 0.79 H new ATOM 0 HB VAL B 110 6.612 1.534 2.342 1.00 0.80 H new ATOM 0 HG11 VAL B 110 5.463 3.664 2.856 1.00 0.91 H new ATOM 0 HG12 VAL B 110 4.548 2.680 1.689 1.00 0.91 H new ATOM 0 HG13 VAL B 110 4.031 2.751 3.390 1.00 0.91 H new ATOM 0 HG21 VAL B 110 6.893 2.603 4.538 1.00 0.75 H new ATOM 0 HG22 VAL B 110 5.532 1.646 5.171 1.00 0.75 H new ATOM 0 HG23 VAL B 110 7.020 0.830 4.634 1.00 0.75 H new ATOM 2206 N ALA B 111 5.963 -1.448 4.320 1.00 0.75 N ATOM 2207 CA ALA B 111 6.803 -2.589 4.651 1.00 0.75 C ATOM 2208 C ALA B 111 6.348 -3.827 3.894 1.00 0.75 C ATOM 2209 O ALA B 111 7.168 -4.612 3.431 1.00 0.75 O ATOM 2210 CB ALA B 111 6.793 -2.855 6.147 1.00 0.77 C ATOM 0 H ALA B 111 5.440 -1.065 5.107 1.00 0.75 H new ATOM 0 HA ALA B 111 7.824 -2.352 4.351 1.00 0.75 H new ATOM 0 HB1 ALA B 111 7.428 -3.713 6.368 1.00 0.77 H new ATOM 0 HB2 ALA B 111 7.169 -1.979 6.675 1.00 0.77 H new ATOM 0 HB3 ALA B 111 5.774 -3.065 6.472 1.00 0.77 H new ATOM 2216 N LYS B 112 5.034 -3.978 3.751 1.00 0.76 N ATOM 2217 CA LYS B 112 4.461 -5.122 3.048 1.00 0.77 C ATOM 2218 C LYS B 112 4.979 -5.204 1.614 1.00 0.78 C ATOM 2219 O LYS B 112 5.317 -6.285 1.132 1.00 0.83 O ATOM 2220 CB LYS B 112 2.930 -5.041 3.045 1.00 0.80 C ATOM 2221 CG LYS B 112 2.290 -5.302 4.399 1.00 0.85 C ATOM 2222 CD LYS B 112 2.554 -6.719 4.884 1.00 0.93 C ATOM 2223 CE LYS B 112 3.365 -6.725 6.170 1.00 1.04 C ATOM 2224 NZ LYS B 112 2.602 -6.168 7.319 1.00 1.14 N ATOM 0 H LYS B 112 4.344 -3.320 4.114 1.00 0.76 H new ATOM 0 HA LYS B 112 4.768 -6.024 3.577 1.00 0.77 H new ATOM 0 HB2 LYS B 112 2.630 -4.052 2.698 1.00 0.80 H new ATOM 0 HB3 LYS B 112 2.540 -5.762 2.326 1.00 0.80 H new ATOM 0 HG2 LYS B 112 2.678 -4.590 5.128 1.00 0.85 H new ATOM 0 HG3 LYS B 112 1.215 -5.135 4.331 1.00 0.85 H new ATOM 0 HD2 LYS B 112 1.606 -7.231 5.048 1.00 0.93 H new ATOM 0 HD3 LYS B 112 3.088 -7.275 4.113 1.00 0.93 H new ATOM 0 HE2 LYS B 112 3.671 -7.746 6.400 1.00 1.04 H new ATOM 0 HE3 LYS B 112 4.276 -6.144 6.026 1.00 1.04 H new ATOM 0 HZ1 LYS B 112 3.037 -5.274 7.623 1.00 1.14 H new ATOM 0 HZ2 LYS B 112 1.618 -5.994 7.031 1.00 1.14 H new ATOM 0 HZ3 LYS B 112 2.617 -6.846 8.107 1.00 1.14 H new ATOM 2238 N PHE B 113 5.051 -4.059 0.944 1.00 0.78 N ATOM 2239 CA PHE B 113 5.528 -4.013 -0.434 1.00 0.83 C ATOM 2240 C PHE B 113 7.022 -4.308 -0.494 1.00 0.84 C ATOM 2241 O PHE B 113 7.490 -5.020 -1.381 1.00 0.95 O ATOM 2242 CB PHE B 113 5.234 -2.649 -1.064 1.00 0.87 C ATOM 2243 CG PHE B 113 5.441 -2.619 -2.554 1.00 1.11 C ATOM 2244 CD1 PHE B 113 4.716 -3.460 -3.383 1.00 1.76 C ATOM 2245 CD2 PHE B 113 6.368 -1.758 -3.122 1.00 1.29 C ATOM 2246 CE1 PHE B 113 4.906 -3.440 -4.752 1.00 2.06 C ATOM 2247 CE2 PHE B 113 6.562 -1.734 -4.491 1.00 1.57 C ATOM 2248 CZ PHE B 113 5.833 -2.577 -5.308 1.00 1.78 C ATOM 0 H PHE B 113 4.786 -3.153 1.331 1.00 0.78 H new ATOM 0 HA PHE B 113 4.998 -4.778 -1.001 1.00 0.83 H new ATOM 0 HB2 PHE B 113 4.204 -2.370 -0.843 1.00 0.87 H new ATOM 0 HB3 PHE B 113 5.874 -1.898 -0.601 1.00 0.87 H new ATOM 0 HD1 PHE B 113 3.994 -4.139 -2.954 1.00 1.76 H new ATOM 0 HD2 PHE B 113 6.944 -1.100 -2.489 1.00 1.29 H new ATOM 0 HE1 PHE B 113 4.331 -4.098 -5.387 1.00 2.06 H new ATOM 0 HE2 PHE B 113 7.284 -1.056 -4.922 1.00 1.57 H new ATOM 0 HZ PHE B 113 5.987 -2.562 -6.377 1.00 1.78 H new ATOM 2258 N ILE B 114 7.763 -3.758 0.458 1.00 0.75 N ATOM 2259 CA ILE B 114 9.201 -3.973 0.515 1.00 0.79 C ATOM 2260 C ILE B 114 9.502 -5.450 0.749 1.00 0.85 C ATOM 2261 O ILE B 114 10.430 -6.006 0.161 1.00 0.93 O ATOM 2262 CB ILE B 114 9.863 -3.131 1.627 1.00 0.76 C ATOM 2263 CG1 ILE B 114 9.555 -1.643 1.429 1.00 0.72 C ATOM 2264 CG2 ILE B 114 11.366 -3.359 1.647 1.00 0.89 C ATOM 2265 CD1 ILE B 114 10.024 -0.768 2.574 1.00 0.69 C ATOM 0 H ILE B 114 7.393 -3.162 1.199 1.00 0.75 H new ATOM 0 HA ILE B 114 9.616 -3.657 -0.442 1.00 0.79 H new ATOM 0 HB ILE B 114 9.452 -3.447 2.586 1.00 0.76 H new ATOM 0 HG12 ILE B 114 10.026 -1.303 0.507 1.00 0.72 H new ATOM 0 HG13 ILE B 114 8.480 -1.517 1.303 1.00 0.72 H new ATOM 0 HG21 ILE B 114 11.815 -2.757 2.437 1.00 0.89 H new ATOM 0 HG22 ILE B 114 11.572 -4.413 1.833 1.00 0.89 H new ATOM 0 HG23 ILE B 114 11.791 -3.070 0.686 1.00 0.89 H new ATOM 0 HD11 ILE B 114 9.772 0.272 2.364 1.00 0.69 H new ATOM 0 HD12 ILE B 114 9.534 -1.081 3.496 1.00 0.69 H new ATOM 0 HD13 ILE B 114 11.104 -0.864 2.687 1.00 0.69 H new ATOM 2277 N ILE B 115 8.703 -6.079 1.605 1.00 0.84 N ATOM 2278 CA ILE B 115 8.867 -7.492 1.912 1.00 0.90 C ATOM 2279 C ILE B 115 8.689 -8.336 0.652 1.00 0.98 C ATOM 2280 O ILE B 115 9.433 -9.288 0.427 1.00 1.05 O ATOM 2281 CB ILE B 115 7.863 -7.962 2.996 1.00 0.89 C ATOM 2282 CG1 ILE B 115 8.208 -7.327 4.347 1.00 0.91 C ATOM 2283 CG2 ILE B 115 7.857 -9.484 3.116 1.00 0.95 C ATOM 2284 CD1 ILE B 115 7.137 -7.520 5.399 1.00 0.95 C ATOM 0 H ILE B 115 7.933 -5.628 2.099 1.00 0.84 H new ATOM 0 HA ILE B 115 9.877 -7.625 2.300 1.00 0.90 H new ATOM 0 HB ILE B 115 6.865 -7.641 2.696 1.00 0.89 H new ATOM 0 HG12 ILE B 115 9.143 -7.752 4.711 1.00 0.91 H new ATOM 0 HG13 ILE B 115 8.377 -6.260 4.205 1.00 0.91 H new ATOM 0 HG21 ILE B 115 7.144 -9.786 3.883 1.00 0.95 H new ATOM 0 HG22 ILE B 115 7.569 -9.923 2.161 1.00 0.95 H new ATOM 0 HG23 ILE B 115 8.853 -9.831 3.390 1.00 0.95 H new ATOM 0 HD11 ILE B 115 7.450 -7.044 6.328 1.00 0.95 H new ATOM 0 HD12 ILE B 115 6.205 -7.070 5.057 1.00 0.95 H new ATOM 0 HD13 ILE B 115 6.983 -8.585 5.571 1.00 0.95 H new ATOM 2296 N ASP B 116 7.720 -7.966 -0.186 1.00 1.03 N ATOM 2297 CA ASP B 116 7.462 -8.710 -1.416 1.00 1.15 C ATOM 2298 C ASP B 116 8.646 -8.622 -2.362 1.00 1.08 C ATOM 2299 O ASP B 116 8.884 -9.531 -3.152 1.00 1.16 O ATOM 2300 CB ASP B 116 6.192 -8.227 -2.119 1.00 1.29 C ATOM 2301 CG ASP B 116 5.496 -9.363 -2.847 1.00 1.56 C ATOM 2302 OD1 ASP B 116 5.939 -9.731 -3.959 1.00 2.13 O ATOM 2303 OD2 ASP B 116 4.527 -9.920 -2.286 1.00 1.57 O ATOM 0 H ASP B 116 7.107 -7.164 -0.037 1.00 1.03 H new ATOM 0 HA ASP B 116 7.313 -9.752 -1.132 1.00 1.15 H new ATOM 0 HB2 ASP B 116 5.512 -7.791 -1.387 1.00 1.29 H new ATOM 0 HB3 ASP B 116 6.444 -7.439 -2.828 1.00 1.29 H new ATOM 2308 N ASN B 117 9.395 -7.533 -2.271 1.00 0.95 N ATOM 2309 CA ASN B 117 10.571 -7.344 -3.110 1.00 0.93 C ATOM 2310 C ASN B 117 11.657 -8.347 -2.732 1.00 0.95 C ATOM 2311 O ASN B 117 12.213 -9.029 -3.594 1.00 1.00 O ATOM 2312 CB ASN B 117 11.102 -5.911 -2.978 1.00 0.97 C ATOM 2313 CG ASN B 117 12.489 -5.733 -3.578 1.00 1.17 C ATOM 2314 OD1 ASN B 117 12.638 -5.509 -4.776 1.00 1.29 O ATOM 2315 ND2 ASN B 117 13.511 -5.817 -2.739 1.00 1.38 N ATOM 0 H ASN B 117 9.210 -6.766 -1.625 1.00 0.95 H new ATOM 0 HA ASN B 117 10.285 -7.512 -4.148 1.00 0.93 H new ATOM 0 HB2 ASN B 117 10.410 -5.226 -3.468 1.00 0.97 H new ATOM 0 HB3 ASN B 117 11.130 -5.636 -1.924 1.00 0.97 H new ATOM 0 HD21 ASN B 117 14.464 -5.694 -3.082 1.00 1.38 H new ATOM 0 HD22 ASN B 117 13.345 -6.005 -1.750 1.00 1.38 H new ATOM 2322 N THR B 118 11.946 -8.444 -1.437 1.00 1.00 N ATOM 2323 CA THR B 118 12.962 -9.363 -0.949 1.00 1.12 C ATOM 2324 C THR B 118 12.481 -10.813 -1.057 1.00 1.21 C ATOM 2325 O THR B 118 13.265 -11.720 -1.353 1.00 1.37 O ATOM 2326 CB THR B 118 13.329 -9.040 0.509 1.00 1.19 C ATOM 2327 OG1 THR B 118 13.115 -7.642 0.763 1.00 1.29 O ATOM 2328 CG2 THR B 118 14.783 -9.397 0.794 1.00 1.57 C ATOM 0 H THR B 118 11.489 -7.896 -0.709 1.00 1.00 H new ATOM 0 HA THR B 118 13.849 -9.243 -1.570 1.00 1.12 H new ATOM 0 HB THR B 118 12.693 -9.634 1.165 1.00 1.19 H new ATOM 0 HG1 THR B 118 13.952 -7.233 1.068 1.00 1.29 H new ATOM 0 HG21 THR B 118 15.019 -9.160 1.831 1.00 1.57 H new ATOM 0 HG22 THR B 118 14.937 -10.462 0.621 1.00 1.57 H new ATOM 0 HG23 THR B 118 15.434 -8.825 0.133 1.00 1.57 H new ATOM 2336 N LYS B 119 11.188 -11.018 -0.815 1.00 1.22 N ATOM 2337 CA LYS B 119 10.578 -12.342 -0.902 1.00 1.37 C ATOM 2338 C LYS B 119 10.501 -12.778 -2.362 1.00 1.41 C ATOM 2339 O LYS B 119 10.701 -13.947 -2.692 1.00 1.65 O ATOM 2340 CB LYS B 119 9.178 -12.308 -0.267 1.00 1.44 C ATOM 2341 CG LYS B 119 8.283 -13.484 -0.631 1.00 1.57 C ATOM 2342 CD LYS B 119 6.851 -13.263 -0.154 1.00 1.83 C ATOM 2343 CE LYS B 119 6.354 -11.866 -0.500 1.00 1.82 C ATOM 2344 NZ LYS B 119 4.873 -11.746 -0.418 1.00 1.87 N ATOM 0 H LYS B 119 10.538 -10.276 -0.555 1.00 1.22 H new ATOM 0 HA LYS B 119 11.188 -13.064 -0.358 1.00 1.37 H new ATOM 0 HB2 LYS B 119 9.287 -12.274 0.817 1.00 1.44 H new ATOM 0 HB3 LYS B 119 8.681 -11.385 -0.566 1.00 1.44 H new ATOM 0 HG2 LYS B 119 8.290 -13.628 -1.711 1.00 1.57 H new ATOM 0 HG3 LYS B 119 8.680 -14.396 -0.186 1.00 1.57 H new ATOM 0 HD2 LYS B 119 6.196 -14.006 -0.610 1.00 1.83 H new ATOM 0 HD3 LYS B 119 6.799 -13.411 0.925 1.00 1.83 H new ATOM 0 HE2 LYS B 119 6.811 -11.144 0.177 1.00 1.82 H new ATOM 0 HE3 LYS B 119 6.680 -11.608 -1.508 1.00 1.82 H new ATOM 0 HZ1 LYS B 119 4.560 -10.922 -0.970 1.00 1.87 H new ATOM 0 HZ2 LYS B 119 4.433 -12.607 -0.802 1.00 1.87 H new ATOM 0 HZ3 LYS B 119 4.589 -11.626 0.575 1.00 1.87 H new ATOM 2358 N GLY B 120 10.205 -11.823 -3.229 1.00 1.52 N ATOM 2359 CA GLY B 120 10.131 -12.090 -4.645 1.00 1.69 C ATOM 2360 C GLY B 120 8.870 -12.817 -5.063 1.00 1.69 C ATOM 2361 O GLY B 120 8.926 -13.679 -5.937 1.00 2.16 O ATOM 0 H GLY B 120 10.013 -10.855 -2.970 1.00 1.52 H new ATOM 0 HA2 GLY B 120 10.192 -11.146 -5.187 1.00 1.69 H new ATOM 0 HA3 GLY B 120 10.996 -12.684 -4.939 1.00 1.69 H new ATOM 2365 N GLN B 121 7.728 -12.475 -4.472 1.00 1.54 N ATOM 2366 CA GLN B 121 6.478 -13.133 -4.842 1.00 1.83 C ATOM 2367 C GLN B 121 6.073 -12.688 -6.238 1.00 1.53 C ATOM 2368 O GLN B 121 5.838 -13.511 -7.120 1.00 1.76 O ATOM 2369 CB GLN B 121 5.358 -12.834 -3.840 1.00 2.41 C ATOM 2370 CG GLN B 121 4.072 -13.598 -4.130 1.00 3.25 C ATOM 2371 CD GLN B 121 3.117 -13.607 -2.952 1.00 3.93 C ATOM 2372 OE1 GLN B 121 3.537 -13.570 -1.796 1.00 4.44 O ATOM 2373 NE2 GLN B 121 1.827 -13.665 -3.234 1.00 4.31 N ATOM 0 H GLN B 121 7.641 -11.761 -3.749 1.00 1.54 H new ATOM 0 HA GLN B 121 6.640 -14.211 -4.829 1.00 1.83 H new ATOM 0 HB2 GLN B 121 5.702 -13.083 -2.836 1.00 2.41 H new ATOM 0 HB3 GLN B 121 5.147 -11.765 -3.849 1.00 2.41 H new ATOM 0 HG2 GLN B 121 3.575 -13.151 -4.991 1.00 3.25 H new ATOM 0 HG3 GLN B 121 4.318 -14.625 -4.401 1.00 3.25 H new ATOM 0 HE21 GLN B 121 1.518 -13.694 -4.206 1.00 4.31 H new ATOM 0 HE22 GLN B 121 1.140 -13.680 -2.480 1.00 4.31 H new ATOM 2382 N MET B 122 6.021 -11.377 -6.440 1.00 1.52 N ATOM 2383 CA MET B 122 5.681 -10.819 -7.745 1.00 1.72 C ATOM 2384 C MET B 122 6.943 -10.663 -8.591 1.00 1.91 C ATOM 2385 O MET B 122 6.983 -9.876 -9.538 1.00 2.38 O ATOM 2386 CB MET B 122 4.976 -9.466 -7.591 1.00 2.18 C ATOM 2387 CG MET B 122 5.799 -8.412 -6.859 1.00 2.58 C ATOM 2388 SD MET B 122 5.064 -6.767 -6.954 1.00 3.62 S ATOM 2389 CE MET B 122 5.560 -6.269 -8.602 1.00 3.50 C ATOM 0 H MET B 122 6.209 -10.681 -5.719 1.00 1.52 H new ATOM 0 HA MET B 122 4.998 -11.505 -8.247 1.00 1.72 H new ATOM 0 HB2 MET B 122 4.720 -9.088 -8.581 1.00 2.18 H new ATOM 0 HB3 MET B 122 4.039 -9.616 -7.055 1.00 2.18 H new ATOM 0 HG2 MET B 122 5.903 -8.700 -5.813 1.00 2.58 H new ATOM 0 HG3 MET B 122 6.803 -8.382 -7.282 1.00 2.58 H new ATOM 0 HE1 MET B 122 6.060 -5.302 -8.555 1.00 3.50 H new ATOM 0 HE2 MET B 122 6.243 -7.011 -9.016 1.00 3.50 H new ATOM 0 HE3 MET B 122 4.679 -6.191 -9.239 1.00 3.50 H new ATOM 2399 N LEU B 123 7.969 -11.431 -8.248 1.00 1.78 N ATOM 2400 CA LEU B 123 9.237 -11.383 -8.958 1.00 2.20 C ATOM 2401 C LEU B 123 9.601 -12.759 -9.512 1.00 2.10 C ATOM 2402 O LEU B 123 9.682 -12.946 -10.725 1.00 2.50 O ATOM 2403 CB LEU B 123 10.343 -10.880 -8.025 1.00 2.59 C ATOM 2404 CG LEU B 123 11.687 -10.579 -8.692 1.00 3.35 C ATOM 2405 CD1 LEU B 123 11.560 -9.421 -9.673 1.00 3.97 C ATOM 2406 CD2 LEU B 123 12.737 -10.274 -7.638 1.00 3.91 C ATOM 0 H LEU B 123 7.945 -12.098 -7.477 1.00 1.78 H new ATOM 0 HA LEU B 123 9.136 -10.693 -9.795 1.00 2.20 H new ATOM 0 HB2 LEU B 123 9.992 -9.974 -7.531 1.00 2.59 H new ATOM 0 HB3 LEU B 123 10.503 -11.626 -7.246 1.00 2.59 H new ATOM 0 HG LEU B 123 11.999 -11.461 -9.252 1.00 3.35 H new ATOM 0 HD11 LEU B 123 12.528 -9.227 -10.134 1.00 3.97 H new ATOM 0 HD12 LEU B 123 10.835 -9.677 -10.446 1.00 3.97 H new ATOM 0 HD13 LEU B 123 11.225 -8.530 -9.142 1.00 3.97 H new ATOM 0 HD21 LEU B 123 13.689 -10.061 -8.124 1.00 3.91 H new ATOM 0 HD22 LEU B 123 12.426 -9.407 -7.055 1.00 3.91 H new ATOM 0 HD23 LEU B 123 12.851 -11.134 -6.978 1.00 3.91 H new ATOM 2418 N GLY B 124 9.806 -13.718 -8.617 1.00 1.96 N ATOM 2419 CA GLY B 124 10.159 -15.062 -9.035 1.00 2.12 C ATOM 2420 C GLY B 124 11.034 -15.779 -8.019 1.00 1.96 C ATOM 2421 O GLY B 124 11.806 -16.670 -8.379 1.00 2.47 O ATOM 0 H GLY B 124 9.734 -13.589 -7.608 1.00 1.96 H new ATOM 0 HA2 GLY B 124 9.249 -15.639 -9.197 1.00 2.12 H new ATOM 0 HA3 GLY B 124 10.681 -15.016 -9.991 1.00 2.12 H new ATOM 2425 N LEU B 125 10.900 -15.391 -6.750 1.00 1.78 N ATOM 2426 CA LEU B 125 11.668 -15.978 -5.648 1.00 2.12 C ATOM 2427 C LEU B 125 13.177 -15.880 -5.897 1.00 2.14 C ATOM 2428 O LEU B 125 13.641 -14.972 -6.591 1.00 2.27 O ATOM 2429 CB LEU B 125 11.242 -17.436 -5.426 1.00 3.02 C ATOM 2430 CG LEU B 125 9.770 -17.634 -5.065 1.00 3.66 C ATOM 2431 CD1 LEU B 125 9.387 -19.097 -5.192 1.00 4.66 C ATOM 2432 CD2 LEU B 125 9.496 -17.134 -3.654 1.00 4.04 C ATOM 0 H LEU B 125 10.254 -14.659 -6.455 1.00 1.78 H new ATOM 0 HA LEU B 125 11.453 -15.408 -4.744 1.00 2.12 H new ATOM 0 HB2 LEU B 125 11.457 -18.003 -6.332 1.00 3.02 H new ATOM 0 HB3 LEU B 125 11.855 -17.860 -4.631 1.00 3.02 H new ATOM 0 HG LEU B 125 9.162 -17.055 -5.760 1.00 3.66 H new ATOM 0 HD11 LEU B 125 8.336 -19.222 -4.932 1.00 4.66 H new ATOM 0 HD12 LEU B 125 9.548 -19.428 -6.218 1.00 4.66 H new ATOM 0 HD13 LEU B 125 10.001 -19.694 -4.518 1.00 4.66 H new ATOM 0 HD21 LEU B 125 8.443 -17.283 -3.413 1.00 4.04 H new ATOM 0 HD22 LEU B 125 10.112 -17.688 -2.946 1.00 4.04 H new ATOM 0 HD23 LEU B 125 9.736 -16.073 -3.591 1.00 4.04 H new ATOM 2444 N GLY B 126 13.938 -16.798 -5.313 1.00 2.65 N ATOM 2445 CA GLY B 126 15.377 -16.788 -5.481 1.00 3.11 C ATOM 2446 C GLY B 126 16.079 -16.133 -4.308 1.00 3.37 C ATOM 2447 O GLY B 126 17.015 -15.354 -4.489 1.00 3.85 O ATOM 0 H GLY B 126 13.582 -17.551 -4.724 1.00 2.65 H new ATOM 0 HA2 GLY B 126 15.736 -17.811 -5.594 1.00 3.11 H new ATOM 0 HA3 GLY B 126 15.632 -16.258 -6.399 1.00 3.11 H new ATOM 2451 N ASN B 127 15.621 -16.453 -3.104 1.00 3.48 N ATOM 2452 CA ASN B 127 16.193 -15.886 -1.880 1.00 4.24 C ATOM 2453 C ASN B 127 17.365 -16.721 -1.344 1.00 4.48 C ATOM 2454 O ASN B 127 18.413 -16.159 -1.029 1.00 5.16 O ATOM 2455 CB ASN B 127 15.127 -15.729 -0.780 1.00 4.70 C ATOM 2456 CG ASN B 127 13.712 -15.790 -1.315 1.00 5.60 C ATOM 2457 OD1 ASN B 127 13.133 -16.867 -1.452 1.00 5.93 O ATOM 2458 ND2 ASN B 127 13.147 -14.635 -1.619 1.00 6.21 N ATOM 0 H ASN B 127 14.852 -17.104 -2.944 1.00 3.48 H new ATOM 0 HA ASN B 127 16.573 -14.901 -2.151 1.00 4.24 H new ATOM 0 HB2 ASN B 127 15.262 -16.514 -0.036 1.00 4.70 H new ATOM 0 HB3 ASN B 127 15.276 -14.777 -0.270 1.00 4.70 H new ATOM 0 HD21 ASN B 127 12.194 -14.613 -1.983 1.00 6.21 H new ATOM 0 HD22 ASN B 127 13.663 -13.765 -1.490 1.00 6.21 H new ATOM 2465 N PRO B 128 17.218 -18.064 -1.215 1.00 4.21 N ATOM 2466 CA PRO B 128 18.295 -18.926 -0.699 1.00 4.77 C ATOM 2467 C PRO B 128 19.557 -18.879 -1.562 1.00 5.08 C ATOM 2468 O PRO B 128 20.531 -18.206 -1.161 1.00 5.69 O ATOM 2469 CB PRO B 128 17.684 -20.333 -0.720 1.00 4.57 C ATOM 2470 CG PRO B 128 16.214 -20.116 -0.751 1.00 3.97 C ATOM 2471 CD PRO B 128 16.011 -18.853 -1.533 1.00 3.70 C ATOM 2472 OXT PRO B 128 19.575 -19.512 -2.636 1.00 4.92 O ATOM 0 HA PRO B 128 18.620 -18.605 0.291 1.00 4.77 H new ATOM 0 HB2 PRO B 128 18.018 -20.895 -1.592 1.00 4.57 H new ATOM 0 HB3 PRO B 128 17.980 -20.904 0.160 1.00 4.57 H new ATOM 0 HG2 PRO B 128 15.703 -20.956 -1.223 1.00 3.97 H new ATOM 0 HG3 PRO B 128 15.810 -20.023 0.257 1.00 3.97 H new ATOM 0 HD2 PRO B 128 15.928 -19.050 -2.602 1.00 3.70 H new ATOM 0 HD3 PRO B 128 15.100 -18.335 -1.233 1.00 3.70 H new TER 2480 PRO B 128