USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1057 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 NoAdj-H: B 99 HIS HD1 : B 99 HIS ND1 : B 138 ZNZN :(H bumps) USER MOD NoAdj-H: B 102 HIS HD1 : B 102 HIS ND1 : B 138 ZNZN :(H bumps) USER MOD NoAdj-H: B 129 HIS HD1 : B 129 HIS ND1 : B 139 ZNZN :(H bumps) USER MOD Set 1.1: A 48 ASN : amide:sc= -26.3! C(o=-27!,f=-20!) USER MOD Set 1.2: A 52 GLN : amide:sc= -0.999 K(o=-27,f=-25) USER MOD Set 2.1: A 31 MET CE :methyl -156:sc= -1.15 (180deg=-3.21!) USER MOD Set 2.2: A 46 CYS SG : rot 8:sc= 0.572 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -174:sc= -0.34 (180deg=-0.498) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HE2:sc= -0.997 X(o=-1,f=-1.4) USER MOD Single : A 10 GLN : amide:sc= -3.27! K(o=-3.3!,f=-0.85) USER MOD Single : A 11 THR OG1 : rot -108:sc= 1.05! USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 170:sc= -2.35 USER MOD Single : A 19 THR OG1 : rot -140:sc= -3.08 USER MOD Single : A 24 ASN : amide:sc= -1.92 K(o=-1.9,f=-0.26) USER MOD Single : A 27 LYS NZ :NH3+ 162:sc=-0.00929 (180deg=-0.159) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00255 USER MOD Single : A 36 LYS NZ :NH3+ -143:sc= -16.8! (180deg=-18.8!) USER MOD Single : A 39 ASN : amide:sc= -0.0472 K(o=-0.047,f=-2!) USER MOD Single : A 45 LYS NZ :NH3+ -170:sc= -1.83 (180deg=-2.07!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -1.59! K(o=-1.6!,f=-0.025) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 176:sc= -6.68! USER MOD Single : A 71 HIS : no HD1:sc= -0.795 K(o=-0.79,f=-1.9!) USER MOD Single : B 73 SER OG : rot 180:sc= 0 USER MOD Single : B 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 92 ASN : amide:sc= -4.16! K(o=-4.2!,f=-0.41) USER MOD Single : B 94 MET CE :methyl -160:sc= -1.24 (180deg=-3.26!) USER MOD Single : B 96 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.128) USER MOD Single : B 97 GLN : amide:sc= -7.04! K(o=-7!,f=-1.7) USER MOD Single : B 107 LYS NZ :NH3+ -152:sc= -1.12 (180deg=-2.67!) USER MOD Single : B 110 LYS NZ :NH3+ 159:sc= -0.176 (180deg=-0.866) USER MOD Single : B 115 HIS : no HD1:sc= -1.86 K(o=-1.9,f=-0.62) USER MOD Single : B 117 HIS : no HD1:sc= -0.422 K(o=-0.42,f=-1) USER MOD Single : B 118 TYR OH : rot 0:sc= -0.747 USER MOD Single : B 121 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.223) USER MOD Single : B 125 TYR OH : rot 150:sc= 0 USER MOD Single : B 128 THR OG1 : rot 180:sc= 0 USER MOD Single : B 130 TYR OH : rot -101:sc= 0.666 USER MOD Single : B 131 ASN : amide:sc= -0.628 K(o=-0.63,f=-5.6!) USER MOD Single : B 132 GLN : amide:sc= -0.659 K(o=-0.66,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -12.192 -10.895 -27.747 1.00 0.00 N ATOM 2 CA GLN A 1 -10.992 -10.518 -28.547 1.00 0.00 C ATOM 3 C GLN A 1 -10.017 -9.737 -27.666 1.00 0.00 C ATOM 4 O GLN A 1 -9.023 -9.215 -28.133 1.00 0.00 O ATOM 5 CB GLN A 1 -11.420 -9.647 -29.730 1.00 0.00 C ATOM 6 CG GLN A 1 -12.436 -10.410 -30.583 1.00 0.00 C ATOM 7 CD GLN A 1 -12.632 -9.682 -31.914 1.00 0.00 C ATOM 8 OE1 GLN A 1 -12.193 -10.148 -32.946 1.00 0.00 O ATOM 9 NE2 GLN A 1 -13.279 -8.548 -31.935 1.00 0.00 N ATOM 0 H1 GLN A 1 -12.808 -11.512 -28.314 1.00 0.00 H new ATOM 0 H2 GLN A 1 -11.892 -11.400 -26.889 1.00 0.00 H new ATOM 0 H3 GLN A 1 -12.714 -10.037 -27.479 1.00 0.00 H new ATOM 0 HA GLN A 1 -10.505 -11.420 -28.918 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -11.857 -8.716 -29.370 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -10.551 -9.380 -30.332 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -12.087 -11.427 -30.760 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -13.386 -10.487 -30.055 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -13.648 -8.155 -31.069 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -13.415 -8.055 -32.817 1.00 0.00 H new ATOM 20 N GLY A 2 -10.293 -9.648 -26.391 1.00 0.00 N ATOM 21 CA GLY A 2 -9.382 -8.900 -25.482 1.00 0.00 C ATOM 22 C GLY A 2 -9.760 -9.186 -24.029 1.00 0.00 C ATOM 23 O GLY A 2 -10.345 -8.361 -23.355 1.00 0.00 O ATOM 0 H GLY A 2 -11.110 -10.062 -25.942 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -8.348 -9.194 -25.664 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -9.449 -7.831 -25.682 1.00 0.00 H new ATOM 27 N SER A 3 -9.429 -10.349 -23.538 1.00 0.00 N ATOM 28 CA SER A 3 -9.772 -10.685 -22.127 1.00 0.00 C ATOM 29 C SER A 3 -8.917 -11.865 -21.661 1.00 0.00 C ATOM 30 O SER A 3 -9.360 -12.700 -20.898 1.00 0.00 O ATOM 31 CB SER A 3 -11.251 -11.060 -22.037 1.00 0.00 C ATOM 32 OG SER A 3 -11.487 -12.224 -22.815 1.00 0.00 O ATOM 0 H SER A 3 -8.937 -11.080 -24.052 1.00 0.00 H new ATOM 0 HA SER A 3 -9.577 -9.822 -21.491 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.530 -11.240 -20.999 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.869 -10.237 -22.396 1.00 0.00 H new ATOM 0 HG SER A 3 -12.434 -12.469 -22.758 1.00 0.00 H new ATOM 38 N ARG A 4 -7.695 -11.937 -22.108 1.00 0.00 N ATOM 39 CA ARG A 4 -6.813 -13.059 -21.685 1.00 0.00 C ATOM 40 C ARG A 4 -6.390 -12.845 -20.230 1.00 0.00 C ATOM 41 O ARG A 4 -6.255 -11.729 -19.774 1.00 0.00 O ATOM 42 CB ARG A 4 -5.568 -13.101 -22.579 1.00 0.00 C ATOM 43 CG ARG A 4 -4.676 -14.275 -22.164 1.00 0.00 C ATOM 44 CD ARG A 4 -3.480 -14.381 -23.116 1.00 0.00 C ATOM 45 NE ARG A 4 -3.943 -14.300 -24.543 1.00 0.00 N ATOM 46 CZ ARG A 4 -4.827 -15.132 -25.028 1.00 0.00 C ATOM 47 NH1 ARG A 4 -5.212 -16.170 -24.338 1.00 0.00 N ATOM 48 NH2 ARG A 4 -5.290 -14.952 -26.235 1.00 0.00 N ATOM 0 H ARG A 4 -7.269 -11.267 -22.748 1.00 0.00 H new ATOM 0 HA ARG A 4 -7.353 -14.002 -21.776 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.861 -13.206 -23.624 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -5.016 -12.165 -22.495 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -4.327 -14.134 -21.141 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -5.249 -15.202 -22.181 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -2.770 -13.580 -22.910 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.956 -15.322 -22.949 1.00 0.00 H new ATOM 0 HE ARG A 4 -3.557 -13.576 -25.150 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.823 -16.339 -23.410 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -5.902 -16.813 -24.726 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.962 -14.165 -26.795 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.980 -15.598 -26.618 1.00 0.00 H new ATOM 62 N VAL A 5 -6.180 -13.904 -19.498 1.00 0.00 N ATOM 63 CA VAL A 5 -5.768 -13.748 -18.075 1.00 0.00 C ATOM 64 C VAL A 5 -4.374 -13.115 -18.021 1.00 0.00 C ATOM 65 O VAL A 5 -3.370 -13.797 -18.067 1.00 0.00 O ATOM 66 CB VAL A 5 -5.736 -15.121 -17.401 1.00 0.00 C ATOM 67 CG1 VAL A 5 -5.454 -14.951 -15.907 1.00 0.00 C ATOM 68 CG2 VAL A 5 -7.089 -15.809 -17.588 1.00 0.00 C ATOM 0 H VAL A 5 -6.275 -14.867 -19.822 1.00 0.00 H new ATOM 0 HA VAL A 5 -6.479 -13.108 -17.554 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.951 -15.729 -17.851 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.431 -15.930 -15.427 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.491 -14.458 -15.772 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -6.238 -14.344 -15.455 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.069 -16.788 -17.109 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.872 -15.200 -17.137 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.291 -15.930 -18.652 1.00 0.00 H new ATOM 78 N LEU A 6 -4.314 -11.812 -17.907 1.00 0.00 N ATOM 79 CA LEU A 6 -3.000 -11.098 -17.831 1.00 0.00 C ATOM 80 C LEU A 6 -2.960 -10.323 -16.520 1.00 0.00 C ATOM 81 O LEU A 6 -2.056 -10.465 -15.722 1.00 0.00 O ATOM 82 CB LEU A 6 -2.875 -10.120 -19.006 1.00 0.00 C ATOM 83 CG LEU A 6 -2.684 -10.893 -20.325 1.00 0.00 C ATOM 84 CD1 LEU A 6 -3.102 -10.009 -21.505 1.00 0.00 C ATOM 85 CD2 LEU A 6 -1.210 -11.293 -20.504 1.00 0.00 C ATOM 0 H LEU A 6 -5.131 -11.203 -17.863 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.178 -11.813 -17.878 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.768 -9.498 -19.067 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.030 -9.451 -18.843 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.301 -11.791 -20.292 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.966 -10.558 -22.437 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.150 -9.731 -21.398 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.487 -9.109 -21.521 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.092 -11.838 -21.440 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.590 -10.397 -20.525 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.902 -11.928 -19.673 1.00 0.00 H new ATOM 97 N HIS A 7 -3.951 -9.502 -16.296 1.00 0.00 N ATOM 98 CA HIS A 7 -4.009 -8.706 -15.042 1.00 0.00 C ATOM 99 C HIS A 7 -5.470 -8.555 -14.617 1.00 0.00 C ATOM 100 O HIS A 7 -6.053 -7.499 -14.737 1.00 0.00 O ATOM 101 CB HIS A 7 -3.403 -7.321 -15.286 1.00 0.00 C ATOM 102 CG HIS A 7 -1.990 -7.475 -15.778 1.00 0.00 C ATOM 103 ND1 HIS A 7 -0.954 -7.866 -14.945 1.00 0.00 N ATOM 104 CD2 HIS A 7 -1.425 -7.289 -17.016 1.00 0.00 C ATOM 105 CE1 HIS A 7 0.168 -7.904 -15.684 1.00 0.00 C ATOM 106 NE2 HIS A 7 -0.062 -7.561 -16.955 1.00 0.00 N ATOM 0 H HIS A 7 -4.730 -9.349 -16.937 1.00 0.00 H new ATOM 0 HA HIS A 7 -3.446 -9.212 -14.258 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -3.998 -6.775 -16.019 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -3.418 -6.738 -14.365 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -1.029 -8.085 -13.952 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.958 -6.979 -17.903 1.00 0.00 H new ATOM 0 HE1 HIS A 7 1.138 -8.179 -15.297 1.00 0.00 H new ATOM 114 N VAL A 8 -6.062 -9.600 -14.106 1.00 0.00 N ATOM 115 CA VAL A 8 -7.479 -9.500 -13.663 1.00 0.00 C ATOM 116 C VAL A 8 -7.491 -8.606 -12.428 1.00 0.00 C ATOM 117 O VAL A 8 -6.469 -8.451 -11.790 1.00 0.00 O ATOM 118 CB VAL A 8 -8.001 -10.896 -13.309 1.00 0.00 C ATOM 119 CG1 VAL A 8 -9.520 -10.848 -13.159 1.00 0.00 C ATOM 120 CG2 VAL A 8 -7.635 -11.876 -14.428 1.00 0.00 C ATOM 0 H VAL A 8 -5.627 -10.514 -13.977 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.115 -9.087 -14.446 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.551 -11.225 -12.372 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.892 -11.841 -12.907 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.785 -10.149 -12.366 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.968 -10.520 -14.097 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.006 -12.870 -14.177 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.087 -11.545 -15.363 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.551 -11.911 -14.541 1.00 0.00 H new ATOM 130 N VAL A 9 -8.602 -7.991 -12.072 1.00 0.00 N ATOM 131 CA VAL A 9 -8.564 -7.100 -10.869 1.00 0.00 C ATOM 132 C VAL A 9 -9.881 -7.149 -10.094 1.00 0.00 C ATOM 133 O VAL A 9 -10.957 -7.006 -10.643 1.00 0.00 O ATOM 134 CB VAL A 9 -8.271 -5.651 -11.310 1.00 0.00 C ATOM 135 CG1 VAL A 9 -7.150 -5.636 -12.354 1.00 0.00 C ATOM 136 CG2 VAL A 9 -9.526 -5.032 -11.926 1.00 0.00 C ATOM 0 H VAL A 9 -9.502 -8.065 -12.546 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.773 -7.454 -10.208 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.965 -5.076 -10.436 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.951 -4.609 -12.659 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.247 -6.069 -11.924 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.454 -6.220 -13.223 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.313 -4.009 -12.235 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.832 -5.617 -12.793 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.329 -5.028 -11.189 1.00 0.00 H new ATOM 146 N GLN A 10 -9.786 -7.326 -8.802 1.00 0.00 N ATOM 147 CA GLN A 10 -10.996 -7.363 -7.934 1.00 0.00 C ATOM 148 C GLN A 10 -11.169 -6.000 -7.256 1.00 0.00 C ATOM 149 O GLN A 10 -10.253 -5.466 -6.666 1.00 0.00 O ATOM 150 CB GLN A 10 -10.825 -8.444 -6.864 1.00 0.00 C ATOM 151 CG GLN A 10 -12.177 -8.745 -6.214 1.00 0.00 C ATOM 152 CD GLN A 10 -13.083 -9.446 -7.228 1.00 0.00 C ATOM 153 OE1 GLN A 10 -12.780 -10.533 -7.681 1.00 0.00 O ATOM 154 NE2 GLN A 10 -14.190 -8.869 -7.606 1.00 0.00 N ATOM 0 H GLN A 10 -8.904 -7.448 -8.305 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.874 -7.588 -8.539 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -10.416 -9.350 -7.311 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -10.113 -8.112 -6.108 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -12.038 -9.376 -5.336 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.642 -7.821 -5.872 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -14.445 -7.957 -7.227 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -14.801 -9.330 -8.281 1.00 0.00 H new ATOM 163 N THR A 11 -12.342 -5.439 -7.342 1.00 0.00 N ATOM 164 CA THR A 11 -12.595 -4.112 -6.714 1.00 0.00 C ATOM 165 C THR A 11 -12.442 -4.196 -5.208 1.00 0.00 C ATOM 166 O THR A 11 -12.619 -5.228 -4.591 1.00 0.00 O ATOM 167 CB THR A 11 -14.014 -3.675 -7.035 1.00 0.00 C ATOM 168 OG1 THR A 11 -14.213 -3.728 -8.438 1.00 0.00 O ATOM 169 CG2 THR A 11 -14.273 -2.249 -6.523 1.00 0.00 C ATOM 0 H THR A 11 -13.143 -5.846 -7.824 1.00 0.00 H new ATOM 0 HA THR A 11 -11.873 -3.396 -7.106 1.00 0.00 H new ATOM 0 HB THR A 11 -14.712 -4.348 -6.538 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.249 -2.817 -8.798 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.295 -1.956 -6.763 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.132 -2.219 -5.443 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.576 -1.559 -6.999 1.00 0.00 H new ATOM 177 N LEU A 12 -12.127 -3.086 -4.628 1.00 5.40 N ATOM 178 CA LEU A 12 -11.955 -2.988 -3.150 1.00 9.02 C ATOM 179 C LEU A 12 -13.063 -2.076 -2.625 1.00 10.54 C ATOM 180 O LEU A 12 -13.357 -2.057 -1.445 1.00 10.21 O ATOM 181 CB LEU A 12 -10.583 -2.343 -2.814 1.00 7.97 C ATOM 182 CG LEU A 12 -9.330 -3.195 -3.242 1.00 7.96 C ATOM 183 CD1 LEU A 12 -8.056 -2.374 -3.025 1.00 6.40 C ATOM 184 CD2 LEU A 12 -9.163 -4.509 -2.456 1.00 6.66 C ATOM 0 H LEU A 12 -11.975 -2.209 -5.126 1.00 5.40 H new ATOM 0 HA LEU A 12 -12.000 -3.979 -2.698 1.00 9.02 H new ATOM 0 HB2 LEU A 12 -10.526 -1.369 -3.301 1.00 7.97 H new ATOM 0 HB3 LEU A 12 -10.534 -2.165 -1.740 1.00 7.97 H new ATOM 0 HG LEU A 12 -9.494 -3.449 -4.289 1.00 7.96 H new ATOM 0 HD11 LEU A 12 -7.188 -2.964 -3.321 1.00 6.40 H new ATOM 0 HD12 LEU A 12 -8.101 -1.467 -3.627 1.00 6.40 H new ATOM 0 HD13 LEU A 12 -7.970 -2.107 -1.972 1.00 6.40 H new ATOM 0 HD21 LEU A 12 -8.277 -5.036 -2.812 1.00 6.66 H new ATOM 0 HD22 LEU A 12 -9.051 -4.287 -1.395 1.00 6.66 H new ATOM 0 HD23 LEU A 12 -10.042 -5.136 -2.605 1.00 6.66 H new ATOM 196 N TYR A 13 -13.682 -1.311 -3.492 1.00 12.19 N ATOM 197 CA TYR A 13 -14.775 -0.393 -3.022 1.00 12.32 C ATOM 198 C TYR A 13 -15.832 -0.182 -4.134 1.00 14.17 C ATOM 199 O TYR A 13 -15.473 -0.120 -5.294 1.00 14.79 O ATOM 200 CB TYR A 13 -14.161 0.963 -2.658 1.00 14.83 C ATOM 201 CG TYR A 13 -12.881 0.750 -1.883 1.00 15.75 C ATOM 202 CD1 TYR A 13 -12.933 0.412 -0.525 1.00 18.39 C ATOM 203 CD2 TYR A 13 -11.643 0.891 -2.522 1.00 10.85 C ATOM 204 CE1 TYR A 13 -11.748 0.216 0.194 1.00 12.56 C ATOM 205 CE2 TYR A 13 -10.457 0.694 -1.804 1.00 10.94 C ATOM 206 CZ TYR A 13 -10.510 0.356 -0.444 1.00 12.35 C ATOM 207 OH TYR A 13 -9.341 0.164 0.263 1.00 12.20 O ATOM 0 H TYR A 13 -13.484 -1.280 -4.492 1.00 12.19 H new ATOM 0 HA TYR A 13 -15.262 -0.841 -2.156 1.00 12.32 H new ATOM 0 HB2 TYR A 13 -13.959 1.536 -3.563 1.00 14.83 H new ATOM 0 HB3 TYR A 13 -14.865 1.544 -2.063 1.00 14.83 H new ATOM 0 HD1 TYR A 13 -13.888 0.302 -0.032 1.00 18.39 H new ATOM 0 HD2 TYR A 13 -11.603 1.152 -3.569 1.00 10.85 H new ATOM 0 HE1 TYR A 13 -11.789 -0.043 1.242 1.00 12.56 H new ATOM 0 HE2 TYR A 13 -9.502 0.802 -2.297 1.00 10.94 H new ATOM 0 HH TYR A 13 -8.573 0.299 -0.331 1.00 12.20 H new ATOM 217 N PRO A 14 -17.109 -0.047 -3.769 1.00 0.00 N ATOM 218 CA PRO A 14 -18.178 0.191 -4.769 1.00 0.00 C ATOM 219 C PRO A 14 -18.067 1.635 -5.287 1.00 0.00 C ATOM 220 O PRO A 14 -18.761 2.522 -4.828 1.00 0.00 O ATOM 221 CB PRO A 14 -19.493 0.001 -3.985 1.00 0.00 C ATOM 222 CG PRO A 14 -19.131 0.078 -2.476 1.00 0.00 C ATOM 223 CD PRO A 14 -17.602 -0.122 -2.366 1.00 0.00 C ATOM 0 HA PRO A 14 -18.118 -0.476 -5.629 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -20.216 0.773 -4.249 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -19.951 -0.959 -4.224 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -19.425 1.041 -2.058 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -19.662 -0.690 -1.913 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.146 0.648 -1.744 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -17.360 -1.083 -1.912 1.00 0.00 H new ATOM 231 N PHE A 15 -17.193 1.883 -6.216 1.00 0.00 N ATOM 232 CA PHE A 15 -17.034 3.274 -6.735 1.00 0.00 C ATOM 233 C PHE A 15 -18.231 3.677 -7.591 1.00 0.00 C ATOM 234 O PHE A 15 -19.069 2.870 -7.936 1.00 0.00 O ATOM 235 CB PHE A 15 -15.775 3.366 -7.591 1.00 0.00 C ATOM 236 CG PHE A 15 -15.457 4.818 -7.923 1.00 0.00 C ATOM 237 CD1 PHE A 15 -15.267 5.765 -6.900 1.00 0.00 C ATOM 238 CD2 PHE A 15 -15.346 5.218 -9.266 1.00 0.00 C ATOM 239 CE1 PHE A 15 -14.971 7.095 -7.221 1.00 0.00 C ATOM 240 CE2 PHE A 15 -15.050 6.551 -9.580 1.00 0.00 C ATOM 241 CZ PHE A 15 -14.862 7.486 -8.559 1.00 0.00 C ATOM 0 H PHE A 15 -16.580 1.187 -6.641 1.00 0.00 H new ATOM 0 HA PHE A 15 -16.962 3.945 -5.879 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -14.935 2.916 -7.062 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -15.912 2.799 -8.511 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -15.350 5.465 -5.866 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -15.489 4.497 -10.057 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -14.827 7.820 -6.434 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -14.967 6.856 -10.613 1.00 0.00 H new ATOM 0 HZ PHE A 15 -14.632 8.512 -8.804 1.00 0.00 H new ATOM 251 N SER A 16 -18.300 4.937 -7.938 1.00 0.00 N ATOM 252 CA SER A 16 -19.427 5.434 -8.786 1.00 0.00 C ATOM 253 C SER A 16 -18.884 6.390 -9.843 1.00 0.00 C ATOM 254 O SER A 16 -18.437 7.481 -9.549 1.00 0.00 O ATOM 255 CB SER A 16 -20.448 6.161 -7.909 1.00 0.00 C ATOM 256 OG SER A 16 -21.108 5.216 -7.075 1.00 0.00 O ATOM 0 H SER A 16 -17.620 5.648 -7.669 1.00 0.00 H new ATOM 0 HA SER A 16 -19.912 4.590 -9.276 1.00 0.00 H new ATOM 0 HB2 SER A 16 -19.950 6.915 -7.300 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.174 6.683 -8.532 1.00 0.00 H new ATOM 0 HG SER A 16 -21.762 5.679 -6.510 1.00 0.00 H new ATOM 262 N SER A 17 -18.922 5.973 -11.077 1.00 0.00 N ATOM 263 CA SER A 17 -18.417 6.818 -12.196 1.00 0.00 C ATOM 264 C SER A 17 -19.444 6.773 -13.326 1.00 0.00 C ATOM 265 O SER A 17 -19.639 5.754 -13.954 1.00 0.00 O ATOM 266 CB SER A 17 -17.064 6.251 -12.650 1.00 0.00 C ATOM 267 OG SER A 17 -16.217 7.324 -13.036 1.00 0.00 O ATOM 0 H SER A 17 -19.289 5.065 -11.363 1.00 0.00 H new ATOM 0 HA SER A 17 -18.277 7.855 -11.890 1.00 0.00 H new ATOM 0 HB2 SER A 17 -16.605 5.681 -11.842 1.00 0.00 H new ATOM 0 HB3 SER A 17 -17.205 5.564 -13.484 1.00 0.00 H new ATOM 0 HG SER A 17 -15.306 6.989 -13.172 1.00 0.00 H new ATOM 273 N VAL A 18 -20.102 7.877 -13.595 1.00 0.00 N ATOM 274 CA VAL A 18 -21.119 7.903 -14.676 1.00 0.00 C ATOM 275 C VAL A 18 -20.854 9.094 -15.583 1.00 0.00 C ATOM 276 O VAL A 18 -21.312 10.200 -15.371 1.00 0.00 O ATOM 277 CB VAL A 18 -22.515 8.030 -14.048 1.00 0.00 C ATOM 278 CG1 VAL A 18 -22.957 6.675 -13.489 1.00 0.00 C ATOM 279 CG2 VAL A 18 -22.472 9.054 -12.908 1.00 0.00 C ATOM 0 H VAL A 18 -19.972 8.762 -13.105 1.00 0.00 H new ATOM 0 HA VAL A 18 -21.066 6.985 -15.261 1.00 0.00 H new ATOM 0 HB VAL A 18 -23.222 8.357 -14.811 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -23.948 6.770 -13.045 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -22.990 5.942 -14.295 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -22.248 6.346 -12.729 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -23.463 9.144 -12.462 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -21.762 8.725 -12.150 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -22.161 10.022 -13.300 1.00 0.00 H new ATOM 289 N THR A 19 -20.140 8.826 -16.615 1.00 38.32 N ATOM 290 CA THR A 19 -19.812 9.857 -17.643 1.00 37.06 C ATOM 291 C THR A 19 -19.795 9.165 -18.995 1.00 36.60 C ATOM 292 O THR A 19 -20.440 8.157 -19.207 1.00 36.42 O ATOM 293 CB THR A 19 -18.428 10.489 -17.371 1.00 37.05 C ATOM 294 OG1 THR A 19 -18.138 10.403 -15.984 1.00 37.96 O ATOM 295 CG2 THR A 19 -18.427 11.963 -17.795 1.00 37.86 C ATOM 0 H THR A 19 -19.749 7.904 -16.808 1.00 38.32 H new ATOM 0 HA THR A 19 -20.555 10.654 -17.616 1.00 37.06 H new ATOM 0 HB THR A 19 -17.673 9.952 -17.945 1.00 37.05 H new ATOM 0 HG1 THR A 19 -17.707 11.232 -15.688 1.00 37.96 H new ATOM 0 HG21 THR A 19 -17.447 12.397 -17.599 1.00 37.86 H new ATOM 0 HG22 THR A 19 -18.649 12.036 -18.860 1.00 37.86 H new ATOM 0 HG23 THR A 19 -19.184 12.505 -17.229 1.00 37.86 H new ATOM 303 N GLU A 20 -19.030 9.682 -19.894 1.00 36.33 N ATOM 304 CA GLU A 20 -18.905 9.088 -21.200 1.00 36.39 C ATOM 305 C GLU A 20 -17.878 7.950 -21.077 1.00 30.94 C ATOM 306 O GLU A 20 -18.135 6.825 -21.463 1.00 31.73 O ATOM 307 CB GLU A 20 -18.468 10.229 -22.125 1.00 41.00 C ATOM 308 CG GLU A 20 -18.378 9.715 -23.517 1.00 49.07 C ATOM 309 CD GLU A 20 -17.981 10.838 -24.476 1.00 52.00 C ATOM 310 OE1 GLU A 20 -17.582 11.886 -23.996 1.00 55.13 O ATOM 311 OE2 GLU A 20 -18.086 10.631 -25.672 1.00 54.38 O ATOM 0 H GLU A 20 -18.472 10.524 -19.755 1.00 36.33 H new ATOM 0 HA GLU A 20 -19.817 8.649 -21.604 1.00 36.39 H new ATOM 0 HB2 GLU A 20 -19.182 11.051 -22.072 1.00 41.00 H new ATOM 0 HB3 GLU A 20 -17.503 10.624 -21.806 1.00 41.00 H new ATOM 0 HG2 GLU A 20 -17.645 8.909 -23.567 1.00 49.07 H new ATOM 0 HG3 GLU A 20 -19.337 9.293 -23.818 1.00 49.07 H new ATOM 318 N GLU A 21 -16.707 8.247 -20.577 1.00 0.00 N ATOM 319 CA GLU A 21 -15.640 7.244 -20.452 1.00 0.00 C ATOM 320 C GLU A 21 -15.401 6.877 -18.970 1.00 0.00 C ATOM 321 O GLU A 21 -14.303 6.526 -18.584 1.00 0.00 O ATOM 322 CB GLU A 21 -14.398 7.909 -21.051 1.00 0.00 C ATOM 323 CG GLU A 21 -14.609 8.107 -22.541 1.00 0.00 C ATOM 324 CD GLU A 21 -13.416 8.851 -23.149 1.00 0.00 C ATOM 325 OE1 GLU A 21 -12.495 9.155 -22.412 1.00 0.00 O ATOM 326 OE2 GLU A 21 -13.444 9.100 -24.341 1.00 0.00 O ATOM 0 H GLU A 21 -16.451 9.176 -20.243 1.00 0.00 H new ATOM 0 HA GLU A 21 -15.894 6.315 -20.962 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.215 8.868 -20.567 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.518 7.290 -20.875 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -14.732 7.141 -23.030 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.526 8.671 -22.714 1.00 0.00 H new ATOM 333 N GLU A 22 -16.411 6.960 -18.137 1.00 0.00 N ATOM 334 CA GLU A 22 -16.230 6.629 -16.683 1.00 0.00 C ATOM 335 C GLU A 22 -16.758 5.205 -16.402 1.00 0.00 C ATOM 336 O GLU A 22 -17.639 4.716 -17.079 1.00 0.00 O ATOM 337 CB GLU A 22 -16.995 7.681 -15.849 1.00 0.00 C ATOM 338 CG GLU A 22 -16.035 8.772 -15.331 1.00 0.00 C ATOM 339 CD GLU A 22 -15.548 9.626 -16.501 1.00 0.00 C ATOM 340 OE1 GLU A 22 -15.563 9.131 -17.617 1.00 0.00 O ATOM 341 OE2 GLU A 22 -15.170 10.762 -16.264 1.00 0.00 O ATOM 0 H GLU A 22 -17.355 7.243 -18.400 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.175 6.652 -16.412 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -17.776 8.137 -16.458 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -17.489 7.195 -15.007 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -16.543 9.398 -14.597 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.186 8.313 -14.825 1.00 0.00 H new ATOM 348 N LEU A 23 -16.190 4.529 -15.416 1.00 11.68 N ATOM 349 CA LEU A 23 -16.615 3.117 -15.093 1.00 7.71 C ATOM 350 C LEU A 23 -17.336 3.063 -13.736 1.00 8.71 C ATOM 351 O LEU A 23 -16.721 3.218 -12.700 1.00 10.83 O ATOM 352 CB LEU A 23 -15.349 2.229 -15.006 1.00 7.16 C ATOM 353 CG LEU A 23 -15.655 0.715 -15.177 1.00 8.46 C ATOM 354 CD1 LEU A 23 -16.945 0.299 -14.466 1.00 6.77 C ATOM 355 CD2 LEU A 23 -15.769 0.359 -16.654 1.00 2.00 C ATOM 0 H LEU A 23 -15.448 4.897 -14.820 1.00 11.68 H new ATOM 0 HA LEU A 23 -17.292 2.766 -15.872 1.00 7.71 H new ATOM 0 HB2 LEU A 23 -14.641 2.540 -15.774 1.00 7.16 H new ATOM 0 HB3 LEU A 23 -14.865 2.389 -14.043 1.00 7.16 H new ATOM 0 HG LEU A 23 -14.825 0.175 -14.722 1.00 8.46 H new ATOM 0 HD11 LEU A 23 -17.115 -0.767 -14.615 1.00 6.77 H new ATOM 0 HD12 LEU A 23 -16.856 0.507 -13.400 1.00 6.77 H new ATOM 0 HD13 LEU A 23 -17.784 0.861 -14.876 1.00 6.77 H new ATOM 0 HD21 LEU A 23 -15.983 -0.705 -16.756 1.00 2.00 H new ATOM 0 HD22 LEU A 23 -16.575 0.937 -17.106 1.00 2.00 H new ATOM 0 HD23 LEU A 23 -14.830 0.590 -17.157 1.00 2.00 H new ATOM 367 N ASN A 24 -18.615 2.796 -13.724 1.00 0.00 N ATOM 368 CA ASN A 24 -19.345 2.673 -12.421 1.00 0.00 C ATOM 369 C ASN A 24 -19.375 1.183 -12.084 1.00 0.00 C ATOM 370 O ASN A 24 -19.756 0.377 -12.908 1.00 0.00 O ATOM 371 CB ASN A 24 -20.782 3.198 -12.569 1.00 0.00 C ATOM 372 CG ASN A 24 -21.634 2.740 -11.380 1.00 0.00 C ATOM 373 OD1 ASN A 24 -22.795 2.420 -11.537 1.00 0.00 O ATOM 374 ND2 ASN A 24 -21.101 2.695 -10.189 1.00 0.00 N ATOM 0 H ASN A 24 -19.188 2.657 -14.557 1.00 0.00 H new ATOM 0 HA ASN A 24 -18.854 3.252 -11.639 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -20.776 4.287 -12.624 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -21.217 2.834 -13.500 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -21.660 2.391 -9.391 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -20.126 2.964 -10.056 1.00 0.00 H new ATOM 381 N PHE A 25 -18.958 0.782 -10.908 1.00 6.72 N ATOM 382 CA PHE A 25 -18.965 -0.675 -10.617 1.00 6.82 C ATOM 383 C PHE A 25 -19.107 -0.927 -9.126 1.00 7.56 C ATOM 384 O PHE A 25 -18.560 -0.223 -8.300 1.00 6.07 O ATOM 385 CB PHE A 25 -17.676 -1.319 -11.153 1.00 9.59 C ATOM 386 CG PHE A 25 -16.412 -0.660 -10.591 1.00 9.18 C ATOM 387 CD1 PHE A 25 -16.138 0.707 -10.798 1.00 5.54 C ATOM 388 CD2 PHE A 25 -15.482 -1.441 -9.894 1.00 11.29 C ATOM 389 CE1 PHE A 25 -14.955 1.270 -10.305 1.00 5.32 C ATOM 390 CE2 PHE A 25 -14.300 -0.873 -9.411 1.00 11.14 C ATOM 391 CZ PHE A 25 -14.038 0.479 -9.614 1.00 12.44 C ATOM 0 H PHE A 25 -18.622 1.386 -10.158 1.00 6.72 H new ATOM 0 HA PHE A 25 -19.822 -1.127 -11.117 1.00 6.82 H new ATOM 0 HB2 PHE A 25 -17.672 -2.379 -10.901 1.00 9.59 H new ATOM 0 HB3 PHE A 25 -17.665 -1.250 -12.241 1.00 9.59 H new ATOM 0 HD1 PHE A 25 -16.843 1.322 -11.338 1.00 5.54 H new ATOM 0 HD2 PHE A 25 -15.680 -2.490 -9.728 1.00 11.29 H new ATOM 0 HE1 PHE A 25 -14.752 2.319 -10.460 1.00 5.32 H new ATOM 0 HE2 PHE A 25 -13.587 -1.485 -8.878 1.00 11.14 H new ATOM 0 HZ PHE A 25 -13.125 0.915 -9.236 1.00 12.44 H new ATOM 401 N GLU A 26 -19.847 -1.945 -8.784 1.00 0.00 N ATOM 402 CA GLU A 26 -20.045 -2.278 -7.353 1.00 0.00 C ATOM 403 C GLU A 26 -18.868 -3.127 -6.893 1.00 0.00 C ATOM 404 O GLU A 26 -18.208 -3.769 -7.687 1.00 0.00 O ATOM 405 CB GLU A 26 -21.366 -3.049 -7.174 1.00 0.00 C ATOM 406 CG GLU A 26 -21.232 -4.491 -7.687 1.00 0.00 C ATOM 407 CD GLU A 26 -20.625 -4.487 -9.091 1.00 0.00 C ATOM 408 OE1 GLU A 26 -21.081 -3.709 -9.910 1.00 0.00 O ATOM 409 OE2 GLU A 26 -19.713 -5.263 -9.323 1.00 0.00 O ATOM 0 H GLU A 26 -20.324 -2.562 -9.441 1.00 0.00 H new ATOM 0 HA GLU A 26 -20.098 -1.368 -6.756 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -21.647 -3.058 -6.121 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -22.165 -2.540 -7.713 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -20.603 -5.070 -7.011 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -22.210 -4.973 -7.705 1.00 0.00 H new ATOM 416 N LYS A 27 -18.586 -3.126 -5.632 1.00 8.66 N ATOM 417 CA LYS A 27 -17.446 -3.921 -5.142 1.00 8.68 C ATOM 418 C LYS A 27 -17.614 -5.377 -5.577 1.00 6.65 C ATOM 419 O LYS A 27 -18.715 -5.880 -5.690 1.00 10.38 O ATOM 420 CB LYS A 27 -17.391 -3.794 -3.623 1.00 12.96 C ATOM 421 CG LYS A 27 -18.524 -4.611 -2.959 1.00 12.48 C ATOM 422 CD LYS A 27 -17.996 -5.979 -2.484 1.00 20.52 C ATOM 423 CE LYS A 27 -17.335 -5.836 -1.109 1.00 28.24 C ATOM 424 NZ LYS A 27 -18.390 -5.713 -0.062 1.00 29.03 N ATOM 0 H LYS A 27 -19.097 -2.607 -4.918 1.00 8.66 H new ATOM 0 HA LYS A 27 -16.508 -3.556 -5.561 1.00 8.68 H new ATOM 0 HB2 LYS A 27 -16.424 -4.143 -3.260 1.00 12.96 H new ATOM 0 HB3 LYS A 27 -17.479 -2.745 -3.338 1.00 12.96 H new ATOM 0 HG2 LYS A 27 -18.931 -4.058 -2.113 1.00 12.48 H new ATOM 0 HG3 LYS A 27 -19.340 -4.755 -3.668 1.00 12.48 H new ATOM 0 HD2 LYS A 27 -18.815 -6.696 -2.430 1.00 20.52 H new ATOM 0 HD3 LYS A 27 -17.277 -6.370 -3.204 1.00 20.52 H new ATOM 0 HE2 LYS A 27 -16.704 -6.701 -0.905 1.00 28.24 H new ATOM 0 HE3 LYS A 27 -16.688 -4.959 -1.094 1.00 28.24 H new ATOM 0 HZ1 LYS A 27 -17.979 -5.920 0.871 1.00 29.03 H new ATOM 0 HZ2 LYS A 27 -18.771 -4.745 -0.065 1.00 29.03 H new ATOM 0 HZ3 LYS A 27 -19.156 -6.387 -0.260 1.00 29.03 H new ATOM 438 N GLY A 28 -16.528 -6.054 -5.841 1.00 5.06 N ATOM 439 CA GLY A 28 -16.621 -7.472 -6.292 1.00 4.39 C ATOM 440 C GLY A 28 -16.850 -7.509 -7.805 1.00 6.18 C ATOM 441 O GLY A 28 -17.674 -8.254 -8.295 1.00 5.61 O ATOM 0 H GLY A 28 -15.580 -5.685 -5.764 1.00 5.06 H new ATOM 0 HA2 GLY A 28 -15.706 -8.007 -6.038 1.00 4.39 H new ATOM 0 HA3 GLY A 28 -17.438 -7.976 -5.777 1.00 4.39 H new ATOM 445 N GLU A 29 -16.128 -6.702 -8.547 1.00 7.06 N ATOM 446 CA GLU A 29 -16.293 -6.671 -10.039 1.00 6.19 C ATOM 447 C GLU A 29 -14.971 -7.057 -10.706 1.00 6.67 C ATOM 448 O GLU A 29 -13.993 -6.342 -10.623 1.00 8.12 O ATOM 449 CB GLU A 29 -16.663 -5.237 -10.471 1.00 6.64 C ATOM 450 CG GLU A 29 -17.255 -5.164 -11.914 1.00 9.52 C ATOM 451 CD GLU A 29 -17.009 -6.455 -12.711 1.00 8.21 C ATOM 452 OE1 GLU A 29 -17.795 -7.376 -12.568 1.00 6.83 O ATOM 453 OE2 GLU A 29 -16.047 -6.489 -13.455 1.00 8.99 O ATOM 0 H GLU A 29 -15.426 -6.058 -8.181 1.00 7.06 H new ATOM 0 HA GLU A 29 -17.075 -7.370 -10.335 1.00 6.19 H new ATOM 0 HB2 GLU A 29 -17.387 -4.828 -9.767 1.00 6.64 H new ATOM 0 HB3 GLU A 29 -15.775 -4.607 -10.417 1.00 6.64 H new ATOM 0 HG2 GLU A 29 -18.327 -4.974 -11.856 1.00 9.52 H new ATOM 0 HG3 GLU A 29 -16.811 -4.322 -12.445 1.00 9.52 H new ATOM 460 N THR A 30 -14.940 -8.159 -11.393 1.00 0.00 N ATOM 461 CA THR A 30 -13.690 -8.567 -12.092 1.00 0.00 C ATOM 462 C THR A 30 -13.524 -7.651 -13.291 1.00 0.00 C ATOM 463 O THR A 30 -14.263 -7.767 -14.248 1.00 0.00 O ATOM 464 CB THR A 30 -13.861 -9.992 -12.617 1.00 0.00 C ATOM 465 OG1 THR A 30 -14.475 -10.797 -11.620 1.00 0.00 O ATOM 466 CG2 THR A 30 -12.496 -10.571 -12.978 1.00 0.00 C ATOM 0 H THR A 30 -15.727 -8.799 -11.503 1.00 0.00 H new ATOM 0 HA THR A 30 -12.835 -8.511 -11.418 1.00 0.00 H new ATOM 0 HB THR A 30 -14.492 -9.977 -13.506 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.585 -11.710 -11.959 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.619 -11.587 -13.352 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.031 -9.955 -13.748 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.861 -10.585 -12.092 1.00 0.00 H new ATOM 474 N MET A 31 -12.581 -6.749 -13.274 1.00 0.00 N ATOM 475 CA MET A 31 -12.422 -5.853 -14.452 1.00 0.00 C ATOM 476 C MET A 31 -11.209 -6.255 -15.265 1.00 0.00 C ATOM 477 O MET A 31 -10.135 -6.525 -14.767 1.00 0.00 O ATOM 478 CB MET A 31 -12.362 -4.387 -14.004 1.00 0.00 C ATOM 479 CG MET A 31 -13.779 -3.932 -13.548 1.00 0.00 C ATOM 480 SD MET A 31 -13.709 -3.296 -11.851 1.00 0.00 S ATOM 481 CE MET A 31 -13.031 -1.669 -12.259 1.00 0.00 C ATOM 0 H MET A 31 -11.924 -6.595 -12.509 1.00 0.00 H new ATOM 0 HA MET A 31 -13.292 -5.958 -15.100 1.00 0.00 H new ATOM 0 HB2 MET A 31 -11.650 -4.273 -13.187 1.00 0.00 H new ATOM 0 HB3 MET A 31 -12.011 -3.758 -14.822 1.00 0.00 H new ATOM 0 HG2 MET A 31 -14.156 -3.160 -14.219 1.00 0.00 H new ATOM 0 HG3 MET A 31 -14.474 -4.770 -13.603 1.00 0.00 H new ATOM 0 HE1 MET A 31 -12.513 -1.263 -11.390 1.00 0.00 H new ATOM 0 HE2 MET A 31 -12.330 -1.764 -13.088 1.00 0.00 H new ATOM 0 HE3 MET A 31 -13.841 -0.998 -12.545 1.00 0.00 H new ATOM 491 N GLU A 32 -11.431 -6.314 -16.534 1.00 0.00 N ATOM 492 CA GLU A 32 -10.397 -6.711 -17.507 1.00 0.00 C ATOM 493 C GLU A 32 -9.679 -5.439 -17.959 1.00 0.00 C ATOM 494 O GLU A 32 -10.202 -4.651 -18.719 1.00 0.00 O ATOM 495 CB GLU A 32 -11.112 -7.424 -18.687 1.00 0.00 C ATOM 496 CG GLU A 32 -12.650 -7.234 -18.570 1.00 0.00 C ATOM 497 CD GLU A 32 -13.313 -7.703 -19.865 1.00 0.00 C ATOM 498 OE1 GLU A 32 -12.610 -7.840 -20.851 1.00 0.00 O ATOM 499 OE2 GLU A 32 -14.513 -7.920 -19.846 1.00 0.00 O ATOM 0 H GLU A 32 -12.332 -6.092 -16.957 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.660 -7.395 -17.086 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.758 -7.019 -19.635 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.867 -8.486 -18.683 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.036 -7.802 -17.723 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.886 -6.186 -18.385 1.00 0.00 H new ATOM 506 N VAL A 33 -8.503 -5.214 -17.448 1.00 0.00 N ATOM 507 CA VAL A 33 -7.767 -3.968 -17.793 1.00 0.00 C ATOM 508 C VAL A 33 -7.435 -3.908 -19.291 1.00 0.00 C ATOM 509 O VAL A 33 -6.404 -4.388 -19.722 1.00 0.00 O ATOM 510 CB VAL A 33 -6.467 -3.905 -16.981 1.00 0.00 C ATOM 511 CG1 VAL A 33 -5.968 -2.459 -16.921 1.00 0.00 C ATOM 512 CG2 VAL A 33 -6.732 -4.409 -15.559 1.00 0.00 C ATOM 0 H VAL A 33 -8.018 -5.840 -16.805 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.405 -3.118 -17.552 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.712 -4.530 -17.458 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.044 -2.416 -16.344 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.781 -2.096 -17.932 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.723 -1.833 -16.445 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.810 -4.365 -14.980 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.488 -3.782 -15.086 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.087 -5.439 -15.598 1.00 0.00 H new ATOM 522 N ILE A 34 -8.284 -3.306 -20.088 1.00 0.00 N ATOM 523 CA ILE A 34 -7.974 -3.210 -21.553 1.00 0.00 C ATOM 524 C ILE A 34 -6.653 -2.450 -21.770 1.00 0.00 C ATOM 525 O ILE A 34 -5.792 -2.889 -22.507 1.00 0.00 O ATOM 526 CB ILE A 34 -9.083 -2.447 -22.305 1.00 0.00 C ATOM 527 CG1 ILE A 34 -10.380 -3.273 -22.315 1.00 0.00 C ATOM 528 CG2 ILE A 34 -8.623 -2.192 -23.757 1.00 0.00 C ATOM 529 CD1 ILE A 34 -11.527 -2.459 -22.944 1.00 0.00 C ATOM 0 H ILE A 34 -9.165 -2.883 -19.796 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.899 -4.228 -21.936 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.273 -1.498 -21.803 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -10.228 -4.194 -22.877 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.644 -3.560 -21.297 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.402 -1.653 -24.296 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.709 -1.598 -23.750 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.433 -3.145 -24.251 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -12.439 -3.056 -22.945 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.689 -1.550 -22.364 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -11.266 -2.194 -23.969 1.00 0.00 H new ATOM 541 N GLU A 35 -6.503 -1.290 -21.172 1.00 0.00 N ATOM 542 CA GLU A 35 -5.259 -0.489 -21.389 1.00 0.00 C ATOM 543 C GLU A 35 -4.898 0.294 -20.144 1.00 0.00 C ATOM 544 O GLU A 35 -5.718 0.541 -19.283 1.00 0.00 O ATOM 545 CB GLU A 35 -5.484 0.488 -22.557 1.00 0.00 C ATOM 546 CG GLU A 35 -4.140 0.897 -23.170 1.00 0.00 C ATOM 547 CD GLU A 35 -3.603 -0.243 -24.036 1.00 0.00 C ATOM 548 OE1 GLU A 35 -4.349 -0.728 -24.872 1.00 0.00 O ATOM 549 OE2 GLU A 35 -2.457 -0.613 -23.851 1.00 0.00 O ATOM 0 H GLU A 35 -7.187 -0.866 -20.545 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.440 -1.171 -21.620 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.111 0.021 -23.316 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.015 1.372 -22.204 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.262 1.798 -23.772 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.426 1.135 -22.381 1.00 0.00 H new ATOM 556 N LYS A 36 -3.644 0.656 -20.034 1.00 0.00 N ATOM 557 CA LYS A 36 -3.167 1.396 -18.837 1.00 0.00 C ATOM 558 C LYS A 36 -2.267 2.577 -19.247 1.00 0.00 C ATOM 559 O LYS A 36 -1.098 2.595 -18.911 1.00 0.00 O ATOM 560 CB LYS A 36 -2.352 0.406 -17.976 1.00 0.00 C ATOM 561 CG LYS A 36 -3.004 -0.999 -18.000 1.00 0.00 C ATOM 562 CD LYS A 36 -2.406 -1.866 -19.121 1.00 0.00 C ATOM 563 CE LYS A 36 -3.317 -3.077 -19.388 1.00 0.00 C ATOM 564 NZ LYS A 36 -4.697 -2.629 -19.724 1.00 0.00 N ATOM 0 H LYS A 36 -2.926 0.466 -20.733 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.017 1.796 -18.284 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.330 0.345 -18.350 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.295 0.769 -16.950 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.855 -1.489 -17.038 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.080 -0.902 -18.145 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.296 -1.275 -20.030 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.409 -2.205 -18.838 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.912 -3.671 -20.207 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.342 -3.722 -18.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.387 -3.288 -19.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.855 -1.675 -19.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.814 -2.610 -20.757 1.00 0.00 H new ATOM 578 N PRO A 37 -2.832 3.555 -19.926 1.00 0.00 N ATOM 579 CA PRO A 37 -2.078 4.750 -20.327 1.00 0.00 C ATOM 580 C PRO A 37 -1.865 5.635 -19.106 1.00 0.00 C ATOM 581 O PRO A 37 -2.507 5.481 -18.087 1.00 0.00 O ATOM 582 CB PRO A 37 -2.968 5.467 -21.352 1.00 0.00 C ATOM 583 CG PRO A 37 -4.373 4.835 -21.233 1.00 0.00 C ATOM 584 CD PRO A 37 -4.239 3.555 -20.368 1.00 0.00 C ATOM 0 HA PRO A 37 -1.100 4.509 -20.745 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.006 6.538 -21.151 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.573 5.346 -22.361 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.071 5.536 -20.774 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.768 4.591 -22.219 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.922 3.576 -19.519 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.474 2.660 -20.944 1.00 0.00 H new ATOM 592 N GLU A 38 -0.982 6.571 -19.216 1.00 0.00 N ATOM 593 CA GLU A 38 -0.728 7.498 -18.074 1.00 0.00 C ATOM 594 C GLU A 38 -1.629 8.721 -18.241 1.00 0.00 C ATOM 595 O GLU A 38 -2.286 9.140 -17.315 1.00 0.00 O ATOM 596 CB GLU A 38 0.744 7.930 -18.087 1.00 0.00 C ATOM 597 CG GLU A 38 1.095 8.668 -16.785 1.00 0.00 C ATOM 598 CD GLU A 38 0.595 10.115 -16.841 1.00 0.00 C ATOM 599 OE1 GLU A 38 0.211 10.554 -17.912 1.00 0.00 O ATOM 600 OE2 GLU A 38 0.607 10.758 -15.806 1.00 0.00 O ATOM 0 H GLU A 38 -0.417 6.743 -20.048 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.942 7.003 -17.127 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.385 7.056 -18.202 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.932 8.578 -18.943 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.646 8.154 -15.935 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.174 8.655 -16.631 1.00 0.00 H new ATOM 607 N ASN A 39 -1.666 9.264 -19.438 1.00 0.00 N ATOM 608 CA ASN A 39 -2.518 10.453 -19.749 1.00 0.00 C ATOM 609 C ASN A 39 -2.151 11.615 -18.827 1.00 0.00 C ATOM 610 O ASN A 39 -1.729 12.663 -19.270 1.00 0.00 O ATOM 611 CB ASN A 39 -4.001 10.089 -19.572 1.00 0.00 C ATOM 612 CG ASN A 39 -4.496 9.321 -20.803 1.00 0.00 C ATOM 613 OD1 ASN A 39 -3.750 9.100 -21.737 1.00 0.00 O ATOM 614 ND2 ASN A 39 -5.732 8.902 -20.841 1.00 0.00 N ATOM 0 H ASN A 39 -1.125 8.920 -20.231 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.345 10.756 -20.782 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.132 9.482 -18.676 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.593 10.994 -19.434 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.072 8.389 -21.655 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.358 9.088 -20.057 1.00 0.00 H new ATOM 621 N ASP A 40 -2.281 11.406 -17.552 1.00 0.00 N ATOM 622 CA ASP A 40 -1.929 12.456 -16.548 1.00 0.00 C ATOM 623 C ASP A 40 -2.482 12.138 -15.134 1.00 0.00 C ATOM 624 O ASP A 40 -1.757 12.244 -14.163 1.00 0.00 O ATOM 625 CB ASP A 40 -2.357 13.887 -17.012 1.00 0.00 C ATOM 626 CG ASP A 40 -1.129 14.691 -17.467 1.00 0.00 C ATOM 627 OD1 ASP A 40 -0.224 14.090 -18.022 1.00 0.00 O ATOM 628 OD2 ASP A 40 -1.119 15.892 -17.255 1.00 0.00 O ATOM 0 H ASP A 40 -2.624 10.534 -17.149 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.841 12.447 -16.477 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.074 13.812 -17.829 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.858 14.407 -16.195 1.00 0.00 H new ATOM 633 N PRO A 41 -3.724 11.773 -15.053 1.00 0.00 N ATOM 634 CA PRO A 41 -4.380 11.456 -13.772 1.00 0.00 C ATOM 635 C PRO A 41 -3.794 10.158 -13.195 1.00 0.00 C ATOM 636 O PRO A 41 -3.256 10.164 -12.110 1.00 0.00 O ATOM 637 CB PRO A 41 -5.872 11.282 -14.135 1.00 0.00 C ATOM 638 CG PRO A 41 -5.991 11.408 -15.681 1.00 0.00 C ATOM 639 CD PRO A 41 -4.568 11.653 -16.225 1.00 0.00 C ATOM 0 HA PRO A 41 -4.236 12.227 -13.015 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.238 10.312 -13.799 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.479 12.040 -13.640 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.417 10.501 -16.110 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.654 12.230 -15.951 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.243 10.829 -16.861 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.529 12.558 -16.831 1.00 0.00 H new ATOM 647 N GLU A 42 -3.919 9.071 -13.945 1.00 0.00 N ATOM 648 CA GLU A 42 -3.408 7.704 -13.539 1.00 0.00 C ATOM 649 C GLU A 42 -4.528 6.666 -13.769 1.00 0.00 C ATOM 650 O GLU A 42 -4.425 5.524 -13.372 1.00 0.00 O ATOM 651 CB GLU A 42 -2.960 7.659 -12.059 1.00 0.00 C ATOM 652 CG GLU A 42 -4.176 7.806 -11.121 1.00 0.00 C ATOM 653 CD GLU A 42 -3.701 7.978 -9.673 1.00 0.00 C ATOM 654 OE1 GLU A 42 -2.735 8.694 -9.467 1.00 0.00 O ATOM 655 OE2 GLU A 42 -4.314 7.391 -8.795 1.00 0.00 O ATOM 0 H GLU A 42 -4.373 9.079 -14.858 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.534 7.477 -14.149 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.449 6.718 -11.856 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.245 8.459 -11.865 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.776 8.666 -11.421 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.816 6.927 -11.201 1.00 0.00 H new ATOM 662 N TRP A 43 -5.597 7.056 -14.415 1.00 14.29 N ATOM 663 CA TRP A 43 -6.719 6.097 -14.665 1.00 10.30 C ATOM 664 C TRP A 43 -6.314 5.064 -15.727 1.00 6.82 C ATOM 665 O TRP A 43 -5.329 5.223 -16.415 1.00 6.91 O ATOM 666 CB TRP A 43 -7.945 6.866 -15.146 1.00 13.39 C ATOM 667 CG TRP A 43 -8.179 8.065 -14.282 1.00 11.71 C ATOM 668 CD1 TRP A 43 -7.651 8.258 -13.053 1.00 13.93 C ATOM 669 CD2 TRP A 43 -9.002 9.232 -14.559 1.00 7.44 C ATOM 670 NE1 TRP A 43 -8.095 9.466 -12.560 1.00 6.63 N ATOM 671 CE2 TRP A 43 -8.928 10.106 -13.451 1.00 8.43 C ATOM 672 CE3 TRP A 43 -9.795 9.618 -15.653 1.00 6.37 C ATOM 673 CZ2 TRP A 43 -9.613 11.313 -13.423 1.00 11.15 C ATOM 674 CZ3 TRP A 43 -10.491 10.841 -15.631 1.00 2.36 C ATOM 675 CH2 TRP A 43 -10.400 11.686 -14.516 1.00 8.17 C ATOM 0 H TRP A 43 -5.743 7.997 -14.781 1.00 14.29 H new ATOM 0 HA TRP A 43 -6.950 5.575 -13.737 1.00 10.30 H new ATOM 0 HB2 TRP A 43 -7.804 7.177 -16.181 1.00 13.39 H new ATOM 0 HB3 TRP A 43 -8.821 6.217 -15.124 1.00 13.39 H new ATOM 0 HD1 TRP A 43 -6.989 7.576 -12.540 1.00 13.93 H new ATOM 0 HE1 TRP A 43 -7.838 9.840 -11.647 1.00 6.63 H new ATOM 0 HE3 TRP A 43 -9.871 8.972 -16.516 1.00 6.37 H new ATOM 0 HZ2 TRP A 43 -9.538 11.960 -12.562 1.00 11.15 H new ATOM 0 HZ3 TRP A 43 -11.098 11.130 -16.477 1.00 2.36 H new ATOM 0 HH2 TRP A 43 -10.937 12.623 -14.502 1.00 8.17 H new ATOM 686 N TRP A 44 -7.077 4.000 -15.844 1.00 6.17 N ATOM 687 CA TRP A 44 -6.764 2.915 -16.835 1.00 5.58 C ATOM 688 C TRP A 44 -8.019 2.607 -17.662 1.00 6.91 C ATOM 689 O TRP A 44 -9.117 2.592 -17.141 1.00 8.86 O ATOM 690 CB TRP A 44 -6.417 1.615 -16.068 1.00 2.99 C ATOM 691 CG TRP A 44 -4.995 1.547 -15.570 1.00 7.04 C ATOM 692 CD1 TRP A 44 -3.990 2.434 -15.804 1.00 5.83 C ATOM 693 CD2 TRP A 44 -4.411 0.494 -14.742 1.00 5.23 C ATOM 694 NE1 TRP A 44 -2.845 1.986 -15.167 1.00 4.61 N ATOM 695 CE2 TRP A 44 -3.053 0.799 -14.505 1.00 9.27 C ATOM 696 CE3 TRP A 44 -4.931 -0.686 -14.177 1.00 6.86 C ATOM 697 CZ2 TRP A 44 -2.237 -0.036 -13.739 1.00 11.14 C ATOM 698 CZ3 TRP A 44 -4.115 -1.527 -13.407 1.00 11.80 C ATOM 699 CH2 TRP A 44 -2.770 -1.204 -13.189 1.00 11.72 C ATOM 0 H TRP A 44 -7.915 3.835 -15.287 1.00 6.17 H new ATOM 0 HA TRP A 44 -5.939 3.242 -17.468 1.00 5.58 H new ATOM 0 HB2 TRP A 44 -7.092 1.518 -15.218 1.00 2.99 H new ATOM 0 HB3 TRP A 44 -6.602 0.762 -16.721 1.00 2.99 H new ATOM 0 HD1 TRP A 44 -4.072 3.338 -16.390 1.00 5.83 H new ATOM 0 HE1 TRP A 44 -1.952 2.479 -15.187 1.00 4.61 H new ATOM 0 HE3 TRP A 44 -5.967 -0.946 -14.338 1.00 6.86 H new ATOM 0 HZ2 TRP A 44 -1.201 0.220 -13.573 1.00 11.14 H new ATOM 0 HZ3 TRP A 44 -4.526 -2.429 -12.979 1.00 11.80 H new ATOM 0 HH2 TRP A 44 -2.146 -1.857 -12.597 1.00 11.72 H new ATOM 710 N LYS A 45 -7.871 2.281 -18.922 1.00 0.00 N ATOM 711 CA LYS A 45 -9.073 1.891 -19.700 1.00 0.00 C ATOM 712 C LYS A 45 -9.358 0.459 -19.310 1.00 0.00 C ATOM 713 O LYS A 45 -8.743 -0.452 -19.822 1.00 0.00 O ATOM 714 CB LYS A 45 -8.824 1.935 -21.214 1.00 0.00 C ATOM 715 CG LYS A 45 -8.539 3.404 -21.646 1.00 0.00 C ATOM 716 CD LYS A 45 -8.302 3.475 -23.172 1.00 0.00 C ATOM 717 CE LYS A 45 -8.113 4.933 -23.611 1.00 0.00 C ATOM 718 NZ LYS A 45 -6.869 5.479 -23.003 1.00 0.00 N ATOM 0 H LYS A 45 -6.988 2.269 -19.432 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.893 2.577 -19.487 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.979 1.297 -21.474 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.692 1.548 -21.748 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.380 4.041 -21.371 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.665 3.783 -21.117 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.422 2.890 -23.438 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.148 3.035 -23.700 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.055 4.992 -24.698 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.972 5.530 -23.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.828 6.506 -23.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.867 5.284 -21.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.041 5.029 -23.443 1.00 0.00 H new ATOM 732 N CYS A 46 -10.245 0.242 -18.385 1.00 0.00 N ATOM 733 CA CYS A 46 -10.527 -1.150 -17.942 1.00 0.00 C ATOM 734 C CYS A 46 -11.949 -1.530 -18.272 1.00 0.00 C ATOM 735 O CYS A 46 -12.894 -0.845 -17.930 1.00 0.00 O ATOM 736 CB CYS A 46 -10.311 -1.255 -16.431 1.00 0.00 C ATOM 737 SG CYS A 46 -11.672 -0.437 -15.562 1.00 0.00 S ATOM 0 H CYS A 46 -10.788 0.967 -17.916 1.00 0.00 H new ATOM 0 HA CYS A 46 -9.851 -1.829 -18.462 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.254 -2.302 -16.134 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.362 -0.794 -16.157 1.00 0.00 H new ATOM 0 HG CYS A 46 -12.590 -0.096 -16.417 1.00 0.00 H new ATOM 743 N LYS A 47 -12.111 -2.645 -18.912 1.00 0.00 N ATOM 744 CA LYS A 47 -13.468 -3.107 -19.239 1.00 0.00 C ATOM 745 C LYS A 47 -13.997 -3.801 -18.000 1.00 0.00 C ATOM 746 O LYS A 47 -13.219 -4.362 -17.258 1.00 0.00 O ATOM 747 CB LYS A 47 -13.406 -4.107 -20.396 1.00 0.00 C ATOM 748 CG LYS A 47 -14.737 -4.858 -20.526 1.00 0.00 C ATOM 749 CD LYS A 47 -14.800 -5.559 -21.885 1.00 0.00 C ATOM 750 CE LYS A 47 -16.161 -6.238 -22.044 1.00 0.00 C ATOM 751 NZ LYS A 47 -16.333 -6.691 -23.451 1.00 0.00 N ATOM 0 H LYS A 47 -11.355 -3.256 -19.222 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.108 -2.276 -19.535 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.184 -3.583 -21.326 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.596 -4.817 -20.229 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.833 -5.589 -19.723 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.570 -4.162 -20.425 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.646 -4.837 -22.687 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -14.002 -6.297 -21.963 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -16.236 -7.088 -21.366 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.958 -5.545 -21.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.259 -7.152 -23.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.280 -5.871 -24.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.580 -7.367 -23.693 1.00 0.00 H new ATOM 765 N ASN A 48 -15.286 -3.807 -17.744 1.00 0.00 N ATOM 766 CA ASN A 48 -15.744 -4.557 -16.518 1.00 0.00 C ATOM 767 C ASN A 48 -16.187 -5.944 -16.976 1.00 0.00 C ATOM 768 O ASN A 48 -16.928 -6.058 -17.924 1.00 0.00 O ATOM 769 CB ASN A 48 -16.838 -3.787 -15.727 1.00 0.00 C ATOM 770 CG ASN A 48 -18.241 -3.806 -16.358 1.00 0.00 C ATOM 771 OD1 ASN A 48 -19.007 -2.896 -16.124 1.00 0.00 O ATOM 772 ND2 ASN A 48 -18.650 -4.802 -17.082 1.00 0.00 N ATOM 0 H ASN A 48 -16.012 -3.351 -18.297 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.927 -4.656 -15.803 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.903 -4.209 -14.724 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.521 -2.750 -15.617 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -19.603 -4.811 -17.445 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -18.018 -5.576 -17.288 1.00 0.00 H new ATOM 779 N ALA A 49 -15.711 -7.030 -16.380 1.00 0.00 N ATOM 780 CA ALA A 49 -16.152 -8.354 -16.894 1.00 0.00 C ATOM 781 C ALA A 49 -17.675 -8.350 -16.963 1.00 0.00 C ATOM 782 O ALA A 49 -18.282 -9.129 -17.672 1.00 0.00 O ATOM 783 CB ALA A 49 -15.679 -9.475 -15.970 1.00 0.00 C ATOM 0 H ALA A 49 -15.063 -7.045 -15.593 1.00 0.00 H new ATOM 0 HA ALA A 49 -15.724 -8.528 -17.881 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -16.012 -10.436 -16.363 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -14.591 -9.464 -15.912 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -16.097 -9.326 -14.974 1.00 0.00 H new ATOM 789 N ARG A 50 -18.297 -7.439 -16.257 1.00 0.00 N ATOM 790 CA ARG A 50 -19.775 -7.350 -16.319 1.00 0.00 C ATOM 791 C ARG A 50 -20.122 -6.958 -17.753 1.00 0.00 C ATOM 792 O ARG A 50 -21.267 -6.928 -18.160 1.00 0.00 O ATOM 793 CB ARG A 50 -20.291 -6.314 -15.290 1.00 0.00 C ATOM 794 CG ARG A 50 -20.786 -7.036 -14.012 1.00 0.00 C ATOM 795 CD ARG A 50 -20.857 -6.067 -12.796 1.00 0.00 C ATOM 796 NE ARG A 50 -22.225 -6.097 -12.167 1.00 0.00 N ATOM 797 CZ ARG A 50 -23.315 -5.910 -12.868 1.00 0.00 C ATOM 798 NH1 ARG A 50 -23.244 -5.608 -14.133 1.00 0.00 N ATOM 799 NH2 ARG A 50 -24.481 -5.998 -12.289 1.00 0.00 N ATOM 0 H ARG A 50 -17.843 -6.760 -15.646 1.00 0.00 H new ATOM 0 HA ARG A 50 -20.252 -8.296 -16.064 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -19.495 -5.614 -15.037 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -21.102 -5.730 -15.725 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -21.772 -7.464 -14.194 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -20.117 -7.864 -13.779 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -20.106 -6.348 -12.057 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -20.623 -5.053 -13.119 1.00 0.00 H new ATOM 0 HE ARG A 50 -22.305 -6.268 -11.165 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -22.334 -5.516 -14.585 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -24.098 -5.464 -14.672 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -24.541 -6.212 -11.293 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -25.332 -5.853 -12.832 1.00 0.00 H new ATOM 813 N GLY A 51 -19.100 -6.708 -18.526 1.00 8.07 N ATOM 814 CA GLY A 51 -19.266 -6.367 -19.958 1.00 7.79 C ATOM 815 C GLY A 51 -19.328 -4.849 -20.192 1.00 9.08 C ATOM 816 O GLY A 51 -20.019 -4.403 -21.088 1.00 14.41 O ATOM 0 H GLY A 51 -18.131 -6.728 -18.209 1.00 8.07 H new ATOM 0 HA2 GLY A 51 -18.437 -6.787 -20.528 1.00 7.79 H new ATOM 0 HA3 GLY A 51 -20.178 -6.828 -20.336 1.00 7.79 H new ATOM 820 N GLN A 52 -18.618 -4.037 -19.425 1.00 0.00 N ATOM 821 CA GLN A 52 -18.672 -2.544 -19.678 1.00 0.00 C ATOM 822 C GLN A 52 -17.293 -1.901 -19.576 1.00 0.00 C ATOM 823 O GLN A 52 -16.372 -2.487 -19.094 1.00 0.00 O ATOM 824 CB GLN A 52 -19.726 -1.879 -18.742 1.00 0.00 C ATOM 825 CG GLN A 52 -19.114 -0.762 -17.876 1.00 0.00 C ATOM 826 CD GLN A 52 -20.144 -0.269 -16.879 1.00 0.00 C ATOM 827 OE1 GLN A 52 -20.632 -1.017 -16.057 1.00 0.00 O ATOM 828 NE2 GLN A 52 -20.495 0.979 -16.925 1.00 0.00 N ATOM 0 H GLN A 52 -18.018 -4.331 -18.654 1.00 0.00 H new ATOM 0 HA GLN A 52 -18.996 -2.375 -20.705 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -20.535 -1.467 -19.344 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -20.165 -2.638 -18.095 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -18.235 -1.135 -17.351 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -18.782 0.061 -18.508 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -20.080 1.600 -17.619 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -21.186 1.339 -16.267 1.00 0.00 H new ATOM 837 N VAL A 53 -17.145 -0.689 -20.081 1.00 0.00 N ATOM 838 CA VAL A 53 -15.799 -0.028 -20.056 1.00 0.00 C ATOM 839 C VAL A 53 -15.866 1.415 -19.556 1.00 0.00 C ATOM 840 O VAL A 53 -16.872 2.091 -19.655 1.00 0.00 O ATOM 841 CB VAL A 53 -15.204 -0.030 -21.472 1.00 0.00 C ATOM 842 CG1 VAL A 53 -13.695 0.211 -21.405 1.00 0.00 C ATOM 843 CG2 VAL A 53 -15.482 -1.372 -22.160 1.00 0.00 C ATOM 0 H VAL A 53 -17.892 -0.138 -20.504 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.174 -0.595 -19.366 1.00 0.00 H new ATOM 0 HB VAL A 53 -15.670 0.769 -22.049 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.281 0.208 -22.413 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.501 1.176 -20.936 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -13.226 -0.579 -20.818 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -15.056 -1.362 -23.163 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -15.030 -2.178 -21.582 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -16.558 -1.532 -22.225 1.00 0.00 H new ATOM 853 N GLY A 54 -14.764 1.874 -19.020 1.00 3.62 N ATOM 854 CA GLY A 54 -14.674 3.267 -18.494 1.00 3.70 C ATOM 855 C GLY A 54 -13.337 3.447 -17.759 1.00 4.69 C ATOM 856 O GLY A 54 -12.743 2.494 -17.293 1.00 7.25 O ATOM 0 H GLY A 54 -13.907 1.330 -18.924 1.00 3.62 H new ATOM 0 HA2 GLY A 54 -14.751 3.983 -19.312 1.00 3.70 H new ATOM 0 HA3 GLY A 54 -15.504 3.467 -17.817 1.00 3.70 H new ATOM 860 N LEU A 55 -12.871 4.658 -17.641 1.00 0.00 N ATOM 861 CA LEU A 55 -11.584 4.907 -16.924 1.00 0.00 C ATOM 862 C LEU A 55 -11.813 4.709 -15.420 1.00 0.00 C ATOM 863 O LEU A 55 -12.905 4.907 -14.922 1.00 0.00 O ATOM 864 CB LEU A 55 -11.138 6.355 -17.211 1.00 0.00 C ATOM 865 CG LEU A 55 -10.268 6.409 -18.482 1.00 0.00 C ATOM 866 CD1 LEU A 55 -8.935 5.643 -18.279 1.00 0.00 C ATOM 867 CD2 LEU A 55 -11.057 5.802 -19.651 1.00 0.00 C ATOM 0 H LEU A 55 -13.326 5.492 -18.011 1.00 0.00 H new ATOM 0 HA LEU A 55 -10.810 4.217 -17.261 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.013 6.994 -17.334 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.576 6.744 -16.362 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.022 7.448 -18.700 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.341 5.698 -19.192 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.379 6.093 -17.457 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.147 4.599 -18.046 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.450 5.835 -20.556 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.309 4.767 -19.421 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -11.973 6.372 -19.807 1.00 0.00 H new ATOM 879 N VAL A 56 -10.803 4.306 -14.685 1.00 0.00 N ATOM 880 CA VAL A 56 -10.990 4.085 -13.219 1.00 0.00 C ATOM 881 C VAL A 56 -9.624 4.216 -12.502 1.00 0.00 C ATOM 882 O VAL A 56 -8.650 3.678 -12.993 1.00 0.00 O ATOM 883 CB VAL A 56 -11.557 2.662 -13.016 1.00 0.00 C ATOM 884 CG1 VAL A 56 -10.448 1.611 -13.167 1.00 0.00 C ATOM 885 CG2 VAL A 56 -12.177 2.532 -11.626 1.00 0.00 C ATOM 0 H VAL A 56 -9.863 4.122 -15.036 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.677 4.823 -12.805 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.320 2.493 -13.776 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.868 0.616 -13.020 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.016 1.679 -14.165 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.672 1.791 -12.423 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -12.572 1.525 -11.497 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.416 2.723 -10.869 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -12.985 3.255 -11.519 1.00 0.00 H new ATOM 895 N PRO A 57 -9.557 4.892 -11.360 1.00 3.33 N ATOM 896 CA PRO A 57 -8.277 5.013 -10.643 1.00 2.75 C ATOM 897 C PRO A 57 -7.667 3.616 -10.469 1.00 4.32 C ATOM 898 O PRO A 57 -8.207 2.768 -9.785 1.00 4.76 O ATOM 899 CB PRO A 57 -8.635 5.665 -9.287 1.00 2.92 C ATOM 900 CG PRO A 57 -10.133 6.085 -9.357 1.00 3.30 C ATOM 901 CD PRO A 57 -10.698 5.573 -10.704 1.00 2.53 C ATOM 0 HA PRO A 57 -7.537 5.614 -11.172 1.00 2.75 H new ATOM 0 HB2 PRO A 57 -8.470 4.965 -8.468 1.00 2.92 H new ATOM 0 HB3 PRO A 57 -8.001 6.531 -9.098 1.00 2.92 H new ATOM 0 HG2 PRO A 57 -10.690 5.660 -8.522 1.00 3.30 H new ATOM 0 HG3 PRO A 57 -10.231 7.168 -9.287 1.00 3.30 H new ATOM 0 HD2 PRO A 57 -11.531 4.888 -10.548 1.00 2.53 H new ATOM 0 HD3 PRO A 57 -11.072 6.395 -11.314 1.00 2.53 H new ATOM 909 N LYS A 58 -6.559 3.369 -11.110 1.00 0.00 N ATOM 910 CA LYS A 58 -5.913 2.031 -11.021 1.00 0.00 C ATOM 911 C LYS A 58 -5.542 1.701 -9.570 1.00 0.00 C ATOM 912 O LYS A 58 -4.958 0.674 -9.290 1.00 0.00 O ATOM 913 CB LYS A 58 -4.658 2.037 -11.900 1.00 0.00 C ATOM 914 CG LYS A 58 -3.538 2.911 -11.264 1.00 0.00 C ATOM 915 CD LYS A 58 -2.267 2.885 -12.132 1.00 0.00 C ATOM 916 CE LYS A 58 -1.172 3.742 -11.487 1.00 0.00 C ATOM 917 NZ LYS A 58 0.052 3.706 -12.337 1.00 0.00 N ATOM 0 H LYS A 58 -6.069 4.044 -11.697 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.609 1.267 -11.368 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.297 1.017 -12.033 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.905 2.419 -12.890 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.889 3.937 -11.155 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.308 2.545 -10.263 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.917 1.859 -12.247 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.492 3.259 -13.131 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.519 4.769 -11.373 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.945 3.370 -10.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.795 4.287 -11.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.386 2.725 -12.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.170 4.081 -13.281 1.00 0.00 H new ATOM 931 N ASN A 59 -5.881 2.561 -8.642 1.00 10.56 N ATOM 932 CA ASN A 59 -5.555 2.301 -7.201 1.00 9.74 C ATOM 933 C ASN A 59 -6.814 1.812 -6.476 1.00 9.95 C ATOM 934 O ASN A 59 -6.766 1.413 -5.330 1.00 8.95 O ATOM 935 CB ASN A 59 -5.050 3.604 -6.557 1.00 10.40 C ATOM 936 CG ASN A 59 -3.693 3.983 -7.154 1.00 12.58 C ATOM 937 OD1 ASN A 59 -3.295 5.129 -7.107 1.00 14.84 O ATOM 938 ND2 ASN A 59 -2.958 3.061 -7.714 1.00 14.09 N ATOM 0 H ASN A 59 -6.372 3.437 -8.819 1.00 10.56 H new ATOM 0 HA ASN A 59 -4.781 1.537 -7.126 1.00 9.74 H new ATOM 0 HB2 ASN A 59 -5.769 4.406 -6.725 1.00 10.40 H new ATOM 0 HB3 ASN A 59 -4.961 3.477 -5.478 1.00 10.40 H new ATOM 0 HD21 ASN A 59 -2.051 3.304 -8.111 1.00 14.09 H new ATOM 0 HD22 ASN A 59 -3.291 2.098 -7.754 1.00 14.09 H new ATOM 945 N TYR A 60 -7.943 1.848 -7.135 1.00 10.23 N ATOM 946 CA TYR A 60 -9.213 1.394 -6.488 1.00 5.50 C ATOM 947 C TYR A 60 -9.399 -0.111 -6.727 1.00 5.21 C ATOM 948 O TYR A 60 -10.436 -0.668 -6.430 1.00 7.16 O ATOM 949 CB TYR A 60 -10.394 2.158 -7.120 1.00 3.37 C ATOM 950 CG TYR A 60 -10.590 3.499 -6.439 1.00 2.00 C ATOM 951 CD1 TYR A 60 -9.489 4.304 -6.126 1.00 4.04 C ATOM 952 CD2 TYR A 60 -11.884 3.937 -6.136 1.00 2.00 C ATOM 953 CE1 TYR A 60 -9.680 5.544 -5.506 1.00 4.04 C ATOM 954 CE2 TYR A 60 -12.078 5.175 -5.517 1.00 2.69 C ATOM 955 CZ TYR A 60 -10.976 5.982 -5.202 1.00 4.45 C ATOM 956 OH TYR A 60 -11.166 7.206 -4.593 1.00 9.52 O ATOM 0 H TYR A 60 -8.042 2.173 -8.097 1.00 10.23 H new ATOM 0 HA TYR A 60 -9.172 1.589 -5.416 1.00 5.50 H new ATOM 0 HB2 TYR A 60 -10.209 2.308 -8.184 1.00 3.37 H new ATOM 0 HB3 TYR A 60 -11.305 1.565 -7.035 1.00 3.37 H new ATOM 0 HD1 TYR A 60 -8.490 3.968 -6.363 1.00 4.04 H new ATOM 0 HD2 TYR A 60 -12.734 3.317 -6.381 1.00 2.00 H new ATOM 0 HE1 TYR A 60 -8.829 6.163 -5.262 1.00 4.04 H new ATOM 0 HE2 TYR A 60 -13.077 5.510 -5.281 1.00 2.69 H new ATOM 0 HH TYR A 60 -12.124 7.357 -4.454 1.00 9.52 H new ATOM 966 N VAL A 61 -8.409 -0.771 -7.267 1.00 5.00 N ATOM 967 CA VAL A 61 -8.536 -2.236 -7.536 1.00 4.84 C ATOM 968 C VAL A 61 -7.167 -2.904 -7.376 1.00 5.03 C ATOM 969 O VAL A 61 -6.140 -2.270 -7.511 1.00 5.61 O ATOM 970 CB VAL A 61 -9.041 -2.447 -8.972 1.00 6.97 C ATOM 971 CG1 VAL A 61 -10.229 -1.521 -9.245 1.00 2.00 C ATOM 972 CG2 VAL A 61 -7.920 -2.127 -9.973 1.00 2.97 C ATOM 0 H VAL A 61 -7.515 -0.359 -7.535 1.00 5.00 H new ATOM 0 HA VAL A 61 -9.241 -2.677 -6.831 1.00 4.84 H new ATOM 0 HB VAL A 61 -9.349 -3.486 -9.086 1.00 6.97 H new ATOM 0 HG11 VAL A 61 -10.583 -1.674 -10.264 1.00 2.00 H new ATOM 0 HG12 VAL A 61 -11.033 -1.744 -8.544 1.00 2.00 H new ATOM 0 HG13 VAL A 61 -9.918 -0.484 -9.121 1.00 2.00 H new ATOM 0 HG21 VAL A 61 -8.285 -2.279 -10.989 1.00 2.97 H new ATOM 0 HG22 VAL A 61 -7.608 -1.090 -9.851 1.00 2.97 H new ATOM 0 HG23 VAL A 61 -7.071 -2.785 -9.791 1.00 2.97 H new ATOM 982 N VAL A 62 -7.147 -4.188 -7.107 1.00 0.00 N ATOM 983 CA VAL A 62 -5.839 -4.916 -6.959 1.00 0.00 C ATOM 984 C VAL A 62 -5.633 -5.787 -8.191 1.00 0.00 C ATOM 985 O VAL A 62 -6.562 -6.081 -8.898 1.00 0.00 O ATOM 986 CB VAL A 62 -5.873 -5.806 -5.715 1.00 0.00 C ATOM 987 CG1 VAL A 62 -7.008 -6.827 -5.844 1.00 0.00 C ATOM 988 CG2 VAL A 62 -4.543 -6.548 -5.581 1.00 0.00 C ATOM 0 H VAL A 62 -7.978 -4.766 -6.983 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.026 -4.197 -6.858 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.038 -5.186 -4.834 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.031 -7.460 -4.957 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.959 -6.303 -5.940 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.843 -7.445 -6.727 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.568 -7.182 -4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.380 -7.166 -6.464 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.731 -5.826 -5.488 1.00 0.00 H new ATOM 998 N VAL A 63 -4.422 -6.199 -8.454 1.00 0.00 N ATOM 999 CA VAL A 63 -4.144 -7.057 -9.655 1.00 0.00 C ATOM 1000 C VAL A 63 -3.844 -8.489 -9.209 1.00 0.00 C ATOM 1001 O VAL A 63 -3.092 -8.719 -8.283 1.00 0.00 O ATOM 1002 CB VAL A 63 -2.940 -6.496 -10.414 1.00 0.00 C ATOM 1003 CG1 VAL A 63 -2.465 -7.511 -11.455 1.00 0.00 C ATOM 1004 CG2 VAL A 63 -3.343 -5.198 -11.116 1.00 0.00 C ATOM 0 H VAL A 63 -3.603 -5.979 -7.887 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.018 -7.059 -10.307 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.131 -6.297 -9.711 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.607 -7.107 -11.993 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.177 -8.436 -10.956 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.272 -7.715 -12.159 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.487 -4.796 -11.658 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.153 -5.400 -11.817 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.677 -4.472 -10.375 1.00 0.00 H new ATOM 1014 N LEU A 64 -4.438 -9.455 -9.867 1.00 0.00 N ATOM 1015 CA LEU A 64 -4.208 -10.888 -9.499 1.00 0.00 C ATOM 1016 C LEU A 64 -3.287 -11.536 -10.544 1.00 0.00 C ATOM 1017 O LEU A 64 -2.192 -11.963 -10.233 1.00 0.00 O ATOM 1018 CB LEU A 64 -5.562 -11.621 -9.469 1.00 0.00 C ATOM 1019 CG LEU A 64 -6.217 -11.493 -8.079 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -6.448 -10.015 -7.711 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -7.557 -12.245 -8.070 1.00 0.00 C ATOM 0 H LEU A 64 -5.077 -9.311 -10.649 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.739 -10.952 -8.517 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.224 -11.205 -10.229 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.418 -12.673 -9.714 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.545 -11.929 -7.340 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.911 -9.953 -6.726 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.493 -9.490 -7.696 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.104 -9.554 -8.450 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.019 -12.154 -7.087 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.219 -11.818 -8.823 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.385 -13.298 -8.294 1.00 0.00 H new ATOM 1033 N SER A 65 -3.719 -11.617 -11.777 1.00 0.00 N ATOM 1034 CA SER A 65 -2.857 -12.240 -12.823 1.00 0.00 C ATOM 1035 C SER A 65 -1.666 -11.325 -13.114 1.00 0.00 C ATOM 1036 O SER A 65 -1.742 -10.123 -12.960 1.00 0.00 O ATOM 1037 CB SER A 65 -3.669 -12.460 -14.105 1.00 0.00 C ATOM 1038 OG SER A 65 -4.356 -11.260 -14.431 1.00 0.00 O ATOM 0 H SER A 65 -4.626 -11.281 -12.102 1.00 0.00 H new ATOM 0 HA SER A 65 -2.494 -13.203 -12.464 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.009 -12.750 -14.923 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.380 -13.274 -13.965 1.00 0.00 H new ATOM 0 HG SER A 65 -4.825 -11.373 -15.284 1.00 0.00 H new ATOM 1044 N ASP A 66 -0.559 -11.887 -13.526 1.00 0.00 N ATOM 1045 CA ASP A 66 0.644 -11.055 -13.823 1.00 0.00 C ATOM 1046 C ASP A 66 1.427 -11.686 -14.978 1.00 0.00 C ATOM 1047 O ASP A 66 1.378 -12.880 -15.193 1.00 0.00 O ATOM 1048 CB ASP A 66 1.535 -10.990 -12.581 1.00 0.00 C ATOM 1049 CG ASP A 66 1.966 -12.404 -12.184 1.00 0.00 C ATOM 1050 OD1 ASP A 66 1.739 -13.312 -12.965 1.00 0.00 O ATOM 1051 OD2 ASP A 66 2.517 -12.552 -11.107 1.00 0.00 O ATOM 0 H ASP A 66 -0.437 -12.889 -13.670 1.00 0.00 H new ATOM 0 HA ASP A 66 0.332 -10.049 -14.102 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.412 -10.375 -12.782 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.996 -10.519 -11.759 1.00 0.00 H new ATOM 1056 N GLY A 67 2.147 -10.892 -15.726 1.00 0.00 N ATOM 1057 CA GLY A 67 2.931 -11.448 -16.867 1.00 0.00 C ATOM 1058 C GLY A 67 4.270 -12.000 -16.353 1.00 0.00 C ATOM 1059 O GLY A 67 4.485 -13.195 -16.383 1.00 0.00 O ATOM 0 H GLY A 67 2.226 -9.883 -15.596 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.365 -12.239 -17.359 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.108 -10.672 -17.612 1.00 0.00 H new ATOM 1063 N PRO A 68 5.135 -11.121 -15.888 1.00 0.00 N ATOM 1064 CA PRO A 68 6.449 -11.541 -15.365 1.00 0.00 C ATOM 1065 C PRO A 68 6.251 -12.510 -14.189 1.00 0.00 C ATOM 1066 O PRO A 68 6.125 -12.098 -13.052 1.00 0.00 O ATOM 1067 CB PRO A 68 7.138 -10.230 -14.917 1.00 0.00 C ATOM 1068 CG PRO A 68 6.136 -9.065 -15.169 1.00 0.00 C ATOM 1069 CD PRO A 68 4.881 -9.665 -15.846 1.00 0.00 C ATOM 0 HA PRO A 68 7.054 -12.069 -16.102 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.410 -10.281 -13.863 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.060 -10.071 -15.477 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.869 -8.580 -14.230 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.587 -8.303 -15.805 1.00 0.00 H new ATOM 0 HD2 PRO A 68 3.978 -9.437 -15.279 1.00 0.00 H new ATOM 0 HD3 PRO A 68 4.739 -9.259 -16.848 1.00 0.00 H new ATOM 1077 N ALA A 69 6.243 -13.792 -14.457 1.00 0.00 N ATOM 1078 CA ALA A 69 6.077 -14.804 -13.379 1.00 0.00 C ATOM 1079 C ALA A 69 7.362 -15.614 -13.290 1.00 0.00 C ATOM 1080 O ALA A 69 7.476 -16.695 -13.836 1.00 0.00 O ATOM 1081 CB ALA A 69 4.911 -15.734 -13.723 1.00 0.00 C ATOM 0 H ALA A 69 6.346 -14.182 -15.394 1.00 0.00 H new ATOM 0 HA ALA A 69 5.870 -14.313 -12.428 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.791 -16.475 -12.932 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.995 -15.150 -13.816 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.116 -16.240 -14.666 1.00 0.00 H new ATOM 1087 N LEU A 70 8.325 -15.091 -12.603 1.00 0.00 N ATOM 1088 CA LEU A 70 9.627 -15.803 -12.453 1.00 0.00 C ATOM 1089 C LEU A 70 9.528 -16.791 -11.289 1.00 0.00 C ATOM 1090 O LEU A 70 9.194 -16.425 -10.179 1.00 0.00 O ATOM 1091 CB LEU A 70 10.735 -14.781 -12.166 1.00 0.00 C ATOM 1092 CG LEU A 70 11.029 -13.944 -13.427 1.00 0.00 C ATOM 1093 CD1 LEU A 70 11.638 -12.597 -13.025 1.00 0.00 C ATOM 1094 CD2 LEU A 70 12.021 -14.683 -14.337 1.00 0.00 C ATOM 0 H LEU A 70 8.272 -14.189 -12.130 1.00 0.00 H new ATOM 0 HA LEU A 70 9.861 -16.342 -13.371 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.433 -14.126 -11.349 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.640 -15.296 -11.844 1.00 0.00 H new ATOM 0 HG LEU A 70 10.093 -13.785 -13.962 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.844 -12.009 -13.920 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.937 -12.056 -12.389 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.567 -12.766 -12.480 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.220 -14.081 -15.224 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.953 -14.853 -13.797 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.596 -15.641 -14.637 1.00 0.00 H new ATOM 1106 N HIS A 71 9.820 -18.039 -11.530 1.00 0.00 N ATOM 1107 CA HIS A 71 9.742 -19.048 -10.436 1.00 0.00 C ATOM 1108 C HIS A 71 8.391 -18.927 -9.727 1.00 0.00 C ATOM 1109 CB HIS A 71 10.868 -18.795 -9.431 1.00 0.00 C ATOM 1110 CG HIS A 71 10.970 -19.960 -8.485 1.00 0.00 C ATOM 1111 ND1 HIS A 71 10.001 -20.949 -8.422 1.00 0.00 N ATOM 1112 CD2 HIS A 71 11.921 -20.309 -7.559 1.00 0.00 C ATOM 1113 CE1 HIS A 71 10.386 -21.835 -7.487 1.00 0.00 C ATOM 1114 NE2 HIS A 71 11.551 -21.492 -6.930 1.00 0.00 N ATOM 0 H HIS A 71 10.109 -18.404 -12.437 1.00 0.00 H new ATOM 0 HA HIS A 71 9.845 -20.049 -10.855 1.00 0.00 H new ATOM 0 HB2 HIS A 71 11.813 -18.656 -9.956 1.00 0.00 H new ATOM 0 HB3 HIS A 71 10.674 -17.878 -8.875 1.00 0.00 H new ATOM 0 HD2 HIS A 71 12.821 -19.749 -7.351 1.00 0.00 H new ATOM 0 HE1 HIS A 71 9.822 -22.716 -7.219 1.00 0.00 H new ATOM 0 HE2 HIS A 71 12.060 -21.991 -6.200 1.00 0.00 H new TER 1122 HIS A 71 ATOM 1123 N GLY B 72 -13.925 -14.333 7.309 1.00 0.00 N ATOM 1124 CA GLY B 72 -13.015 -14.448 6.134 1.00 0.00 C ATOM 1125 C GLY B 72 -12.593 -13.050 5.678 1.00 0.00 C ATOM 1126 O GLY B 72 -12.745 -12.689 4.529 1.00 0.00 O ATOM 0 HA2 GLY B 72 -12.136 -15.037 6.397 1.00 0.00 H new ATOM 0 HA3 GLY B 72 -13.518 -14.971 5.321 1.00 0.00 H new ATOM 1131 N SER B 73 -12.061 -12.260 6.571 1.00 0.00 N ATOM 1132 CA SER B 73 -11.629 -10.887 6.186 1.00 0.00 C ATOM 1133 C SER B 73 -10.282 -10.957 5.463 1.00 0.00 C ATOM 1134 O SER B 73 -9.524 -11.892 5.634 1.00 0.00 O ATOM 1135 CB SER B 73 -11.487 -10.027 7.443 1.00 0.00 C ATOM 1136 OG SER B 73 -12.617 -10.231 8.282 1.00 0.00 O ATOM 0 H SER B 73 -11.907 -12.506 7.549 1.00 0.00 H new ATOM 0 HA SER B 73 -12.374 -10.446 5.524 1.00 0.00 H new ATOM 0 HB2 SER B 73 -10.572 -10.289 7.975 1.00 0.00 H new ATOM 0 HB3 SER B 73 -11.407 -8.975 7.171 1.00 0.00 H new ATOM 0 HG SER B 73 -12.528 -9.683 9.089 1.00 0.00 H new ATOM 1142 N MET B 74 -9.978 -9.977 4.659 1.00 0.00 N ATOM 1143 CA MET B 74 -8.681 -9.992 3.926 1.00 0.00 C ATOM 1144 C MET B 74 -7.542 -10.269 4.910 1.00 0.00 C ATOM 1145 O MET B 74 -7.723 -10.222 6.111 1.00 0.00 O ATOM 1146 CB MET B 74 -8.457 -8.634 3.258 1.00 0.00 C ATOM 1147 CG MET B 74 -9.742 -8.193 2.552 1.00 0.00 C ATOM 1148 SD MET B 74 -9.392 -6.773 1.489 1.00 0.00 S ATOM 1149 CE MET B 74 -11.022 -5.995 1.601 1.00 0.00 C ATOM 0 H MET B 74 -10.571 -9.167 4.478 1.00 0.00 H new ATOM 0 HA MET B 74 -8.703 -10.773 3.166 1.00 0.00 H new ATOM 0 HB2 MET B 74 -8.167 -7.894 4.004 1.00 0.00 H new ATOM 0 HB3 MET B 74 -7.640 -8.701 2.540 1.00 0.00 H new ATOM 0 HG2 MET B 74 -10.143 -9.014 1.958 1.00 0.00 H new ATOM 0 HG3 MET B 74 -10.502 -7.931 3.288 1.00 0.00 H new ATOM 0 HE1 MET B 74 -11.031 -5.082 1.006 1.00 0.00 H new ATOM 0 HE2 MET B 74 -11.780 -6.681 1.223 1.00 0.00 H new ATOM 0 HE3 MET B 74 -11.239 -5.753 2.641 1.00 0.00 H new ATOM 1159 N GLY B 75 -6.370 -10.557 4.412 1.00 0.00 N ATOM 1160 CA GLY B 75 -5.224 -10.837 5.320 1.00 0.00 C ATOM 1161 C GLY B 75 -3.930 -10.902 4.507 1.00 0.00 C ATOM 1162 O GLY B 75 -3.132 -11.805 4.666 1.00 0.00 O ATOM 0 H GLY B 75 -6.158 -10.610 3.416 1.00 0.00 H new ATOM 0 HA2 GLY B 75 -5.150 -10.058 6.079 1.00 0.00 H new ATOM 0 HA3 GLY B 75 -5.384 -11.779 5.844 1.00 0.00 H new ATOM 1166 N VAL B 76 -3.715 -9.953 3.637 1.00 0.00 N ATOM 1167 CA VAL B 76 -2.473 -9.963 2.813 1.00 0.00 C ATOM 1168 C VAL B 76 -2.147 -8.534 2.363 1.00 0.00 C ATOM 1169 O VAL B 76 -2.999 -7.848 1.833 1.00 0.00 O ATOM 1170 CB VAL B 76 -2.690 -10.834 1.566 1.00 0.00 C ATOM 1171 CG1 VAL B 76 -1.835 -10.308 0.411 1.00 0.00 C ATOM 1172 CG2 VAL B 76 -2.283 -12.280 1.846 1.00 0.00 C ATOM 0 H VAL B 76 -4.346 -9.171 3.461 1.00 0.00 H new ATOM 0 HA VAL B 76 -1.652 -10.364 3.408 1.00 0.00 H new ATOM 0 HB VAL B 76 -3.747 -10.795 1.303 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -1.993 -10.929 -0.471 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -2.120 -9.280 0.186 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -0.783 -10.339 0.694 1.00 0.00 H new ATOM 0 HG21 VAL B 76 -2.443 -12.883 0.952 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -1.229 -12.314 2.123 1.00 0.00 H new ATOM 0 HG23 VAL B 76 -2.886 -12.676 2.663 1.00 0.00 H new ATOM 1182 N PRO B 77 -0.914 -8.131 2.558 1.00 0.00 N ATOM 1183 CA PRO B 77 -0.459 -6.803 2.147 1.00 0.00 C ATOM 1184 C PRO B 77 -0.303 -6.784 0.643 1.00 0.00 C ATOM 1185 O PRO B 77 -0.252 -7.811 0.001 1.00 0.00 O ATOM 1186 CB PRO B 77 0.902 -6.620 2.823 1.00 0.00 C ATOM 1187 CG PRO B 77 1.281 -7.977 3.462 1.00 0.00 C ATOM 1188 CD PRO B 77 0.121 -8.947 3.211 1.00 0.00 C ATOM 0 HA PRO B 77 -1.155 -6.011 2.425 1.00 0.00 H new ATOM 0 HB2 PRO B 77 1.654 -6.313 2.096 1.00 0.00 H new ATOM 0 HB3 PRO B 77 0.853 -5.838 3.581 1.00 0.00 H new ATOM 0 HG2 PRO B 77 2.203 -8.362 3.026 1.00 0.00 H new ATOM 0 HG3 PRO B 77 1.458 -7.861 4.531 1.00 0.00 H new ATOM 0 HD2 PRO B 77 0.430 -9.777 2.576 1.00 0.00 H new ATOM 0 HD3 PRO B 77 -0.244 -9.377 4.144 1.00 0.00 H new ATOM 1196 N ILE B 78 -0.227 -5.625 0.080 1.00 0.00 N ATOM 1197 CA ILE B 78 -0.073 -5.536 -1.386 1.00 0.00 C ATOM 1198 C ILE B 78 0.989 -4.503 -1.722 1.00 0.00 C ATOM 1199 O ILE B 78 0.896 -3.345 -1.365 1.00 0.00 O ATOM 1200 CB ILE B 78 -1.415 -5.181 -2.008 1.00 0.00 C ATOM 1201 CG1 ILE B 78 -2.490 -5.962 -1.252 1.00 0.00 C ATOM 1202 CG2 ILE B 78 -1.411 -5.590 -3.477 1.00 0.00 C ATOM 1203 CD1 ILE B 78 -3.879 -5.655 -1.796 1.00 0.00 C ATOM 0 H ILE B 78 -0.265 -4.732 0.571 1.00 0.00 H new ATOM 0 HA ILE B 78 0.250 -6.494 -1.793 1.00 0.00 H new ATOM 0 HB ILE B 78 -1.607 -4.110 -1.945 1.00 0.00 H new ATOM 0 HG12 ILE B 78 -2.292 -7.031 -1.334 1.00 0.00 H new ATOM 0 HG13 ILE B 78 -2.448 -5.711 -0.192 1.00 0.00 H new ATOM 0 HG21 ILE B 78 -2.371 -5.338 -3.928 1.00 0.00 H new ATOM 0 HG22 ILE B 78 -0.614 -5.061 -4.000 1.00 0.00 H new ATOM 0 HG23 ILE B 78 -1.245 -6.664 -3.555 1.00 0.00 H new ATOM 0 HD11 ILE B 78 -4.622 -6.225 -1.239 1.00 0.00 H new ATOM 0 HD12 ILE B 78 -4.084 -4.590 -1.690 1.00 0.00 H new ATOM 0 HD13 ILE B 78 -3.926 -5.930 -2.850 1.00 0.00 H new ATOM 1215 N CYS B 79 2.016 -4.941 -2.379 1.00 0.00 N ATOM 1216 CA CYS B 79 3.131 -4.032 -2.728 1.00 0.00 C ATOM 1217 C CYS B 79 2.611 -2.870 -3.561 1.00 0.00 C ATOM 1218 O CYS B 79 2.105 -3.039 -4.652 1.00 0.00 O ATOM 1219 CB CYS B 79 4.193 -4.809 -3.503 1.00 0.00 C ATOM 1220 SG CYS B 79 5.414 -3.669 -4.188 1.00 0.00 S ATOM 0 H CYS B 79 2.132 -5.904 -2.694 1.00 0.00 H new ATOM 0 HA CYS B 79 3.576 -3.633 -1.816 1.00 0.00 H new ATOM 0 HB2 CYS B 79 4.683 -5.527 -2.845 1.00 0.00 H new ATOM 0 HB3 CYS B 79 3.725 -5.379 -4.306 1.00 0.00 H new ATOM 1225 N GLY B 80 2.728 -1.687 -3.037 1.00 0.00 N ATOM 1226 CA GLY B 80 2.244 -0.491 -3.774 1.00 0.00 C ATOM 1227 C GLY B 80 3.070 -0.313 -5.048 1.00 0.00 C ATOM 1228 O GLY B 80 2.854 0.603 -5.814 1.00 0.00 O ATOM 0 H GLY B 80 3.141 -1.495 -2.124 1.00 0.00 H new ATOM 0 HA2 GLY B 80 1.189 -0.606 -4.024 1.00 0.00 H new ATOM 0 HA3 GLY B 80 2.328 0.396 -3.146 1.00 0.00 H new ATOM 1232 N ALA B 81 4.014 -1.181 -5.274 1.00 0.00 N ATOM 1233 CA ALA B 81 4.856 -1.062 -6.496 1.00 0.00 C ATOM 1234 C ALA B 81 4.170 -1.776 -7.657 1.00 0.00 C ATOM 1235 O ALA B 81 4.040 -1.241 -8.740 1.00 0.00 O ATOM 1236 CB ALA B 81 6.226 -1.696 -6.233 1.00 0.00 C ATOM 0 H ALA B 81 4.240 -1.968 -4.666 1.00 0.00 H new ATOM 0 HA ALA B 81 4.988 -0.010 -6.749 1.00 0.00 H new ATOM 0 HB1 ALA B 81 6.844 -1.610 -7.127 1.00 0.00 H new ATOM 0 HB2 ALA B 81 6.712 -1.181 -5.404 1.00 0.00 H new ATOM 0 HB3 ALA B 81 6.097 -2.749 -5.981 1.00 0.00 H new ATOM 1242 N CYS B 82 3.731 -2.982 -7.435 1.00 0.00 N ATOM 1243 CA CYS B 82 3.047 -3.749 -8.514 1.00 0.00 C ATOM 1244 C CYS B 82 1.599 -4.011 -8.102 1.00 0.00 C ATOM 1245 O CYS B 82 0.868 -4.705 -8.781 1.00 0.00 O ATOM 1246 CB CYS B 82 3.768 -5.082 -8.720 1.00 0.00 C ATOM 1247 SG CYS B 82 4.280 -5.740 -7.114 1.00 0.00 S ATOM 0 H CYS B 82 3.817 -3.474 -6.546 1.00 0.00 H new ATOM 0 HA CYS B 82 3.066 -3.178 -9.442 1.00 0.00 H new ATOM 0 HB2 CYS B 82 3.110 -5.791 -9.223 1.00 0.00 H new ATOM 0 HB3 CYS B 82 4.637 -4.943 -9.363 1.00 0.00 H new ATOM 1252 N ARG B 83 1.182 -3.470 -6.987 1.00 0.00 N ATOM 1253 CA ARG B 83 -0.211 -3.702 -6.532 1.00 0.00 C ATOM 1254 C ARG B 83 -0.467 -5.204 -6.490 1.00 0.00 C ATOM 1255 O ARG B 83 -1.515 -5.680 -6.875 1.00 0.00 O ATOM 1256 CB ARG B 83 -1.193 -3.033 -7.501 1.00 0.00 C ATOM 1257 CG ARG B 83 -1.068 -1.507 -7.401 1.00 0.00 C ATOM 1258 CD ARG B 83 -2.005 -0.828 -8.412 1.00 0.00 C ATOM 1259 NE ARG B 83 -1.540 -1.098 -9.813 1.00 0.00 N ATOM 1260 CZ ARG B 83 -0.487 -0.505 -10.309 1.00 0.00 C ATOM 1261 NH1 ARG B 83 0.105 0.455 -9.652 1.00 0.00 N ATOM 1262 NH2 ARG B 83 -0.050 -0.845 -11.492 1.00 0.00 N ATOM 0 H ARG B 83 1.748 -2.880 -6.377 1.00 0.00 H new ATOM 0 HA ARG B 83 -0.353 -3.274 -5.540 1.00 0.00 H new ATOM 0 HB2 ARG B 83 -0.988 -3.357 -8.521 1.00 0.00 H new ATOM 0 HB3 ARG B 83 -2.213 -3.339 -7.268 1.00 0.00 H new ATOM 0 HG2 ARG B 83 -1.314 -1.181 -6.391 1.00 0.00 H new ATOM 0 HG3 ARG B 83 -0.038 -1.206 -7.591 1.00 0.00 H new ATOM 0 HD2 ARG B 83 -3.022 -1.198 -8.281 1.00 0.00 H new ATOM 0 HD3 ARG B 83 -2.030 0.246 -8.230 1.00 0.00 H new ATOM 0 HE ARG B 83 -2.058 -1.760 -10.391 1.00 0.00 H new ATOM 0 HH11 ARG B 83 -0.254 0.748 -8.743 1.00 0.00 H new ATOM 0 HH12 ARG B 83 0.927 0.912 -10.047 1.00 0.00 H new ATOM 0 HH21 ARG B 83 -0.531 -1.571 -12.024 1.00 0.00 H new ATOM 0 HH22 ARG B 83 0.772 -0.385 -11.884 1.00 0.00 H new ATOM 1276 N ARG B 84 0.496 -5.953 -6.019 1.00 0.00 N ATOM 1277 CA ARG B 84 0.333 -7.432 -5.938 1.00 0.00 C ATOM 1278 C ARG B 84 0.369 -7.848 -4.463 1.00 0.00 C ATOM 1279 O ARG B 84 1.107 -7.271 -3.690 1.00 0.00 O ATOM 1280 CB ARG B 84 1.488 -8.112 -6.684 1.00 0.00 C ATOM 1281 CG ARG B 84 1.186 -8.148 -8.185 1.00 0.00 C ATOM 1282 CD ARG B 84 2.306 -8.892 -8.912 1.00 0.00 C ATOM 1283 NE ARG B 84 3.583 -8.718 -8.165 1.00 0.00 N ATOM 1284 CZ ARG B 84 3.952 -9.610 -7.288 1.00 0.00 C ATOM 1285 NH1 ARG B 84 3.203 -10.655 -7.065 1.00 0.00 N ATOM 1286 NH2 ARG B 84 5.071 -9.458 -6.633 1.00 0.00 N ATOM 0 H ARG B 84 1.393 -5.600 -5.685 1.00 0.00 H new ATOM 0 HA ARG B 84 -0.614 -7.729 -6.389 1.00 0.00 H new ATOM 0 HB2 ARG B 84 2.418 -7.572 -6.504 1.00 0.00 H new ATOM 0 HB3 ARG B 84 1.630 -9.125 -6.308 1.00 0.00 H new ATOM 0 HG2 ARG B 84 0.231 -8.642 -8.363 1.00 0.00 H new ATOM 0 HG3 ARG B 84 1.097 -7.133 -8.573 1.00 0.00 H new ATOM 0 HD2 ARG B 84 2.061 -9.951 -8.993 1.00 0.00 H new ATOM 0 HD3 ARG B 84 2.411 -8.510 -9.928 1.00 0.00 H new ATOM 0 HE ARG B 84 4.169 -7.901 -8.339 1.00 0.00 H new ATOM 0 HH11 ARG B 84 2.329 -10.774 -7.577 1.00 0.00 H new ATOM 0 HH12 ARG B 84 3.492 -11.352 -6.379 1.00 0.00 H new ATOM 0 HH21 ARG B 84 5.657 -8.641 -6.807 1.00 0.00 H new ATOM 0 HH22 ARG B 84 5.359 -10.156 -5.947 1.00 0.00 H new ATOM 1300 N PRO B 85 -0.426 -8.829 -4.104 1.00 0.00 N ATOM 1301 CA PRO B 85 -0.477 -9.304 -2.714 1.00 0.00 C ATOM 1302 C PRO B 85 0.911 -9.728 -2.237 1.00 0.00 C ATOM 1303 O PRO B 85 1.476 -10.692 -2.715 1.00 0.00 O ATOM 1304 CB PRO B 85 -1.454 -10.491 -2.739 1.00 0.00 C ATOM 1305 CG PRO B 85 -2.016 -10.611 -4.173 1.00 0.00 C ATOM 1306 CD PRO B 85 -1.321 -9.542 -5.036 1.00 0.00 C ATOM 0 HA PRO B 85 -0.805 -8.529 -2.021 1.00 0.00 H new ATOM 0 HB2 PRO B 85 -0.945 -11.411 -2.450 1.00 0.00 H new ATOM 0 HB3 PRO B 85 -2.262 -10.336 -2.024 1.00 0.00 H new ATOM 0 HG2 PRO B 85 -1.831 -11.607 -4.575 1.00 0.00 H new ATOM 0 HG3 PRO B 85 -3.096 -10.462 -4.175 1.00 0.00 H new ATOM 0 HD2 PRO B 85 -0.761 -9.996 -5.853 1.00 0.00 H new ATOM 0 HD3 PRO B 85 -2.046 -8.863 -5.485 1.00 0.00 H new ATOM 1314 N ILE B 86 1.466 -9.012 -1.292 1.00 0.00 N ATOM 1315 CA ILE B 86 2.819 -9.383 -0.784 1.00 0.00 C ATOM 1316 C ILE B 86 2.698 -10.675 0.027 1.00 0.00 C ATOM 1317 O ILE B 86 1.627 -11.026 0.482 1.00 0.00 O ATOM 1318 CB ILE B 86 3.384 -8.250 0.081 1.00 0.00 C ATOM 1319 CG1 ILE B 86 3.579 -6.999 -0.786 1.00 0.00 C ATOM 1320 CG2 ILE B 86 4.735 -8.670 0.664 1.00 0.00 C ATOM 1321 CD1 ILE B 86 3.417 -5.742 0.076 1.00 0.00 C ATOM 0 H ILE B 86 1.044 -8.193 -0.854 1.00 0.00 H new ATOM 0 HA ILE B 86 3.502 -9.542 -1.618 1.00 0.00 H new ATOM 0 HB ILE B 86 2.688 -8.035 0.892 1.00 0.00 H new ATOM 0 HG12 ILE B 86 4.568 -7.013 -1.244 1.00 0.00 H new ATOM 0 HG13 ILE B 86 2.852 -6.991 -1.598 1.00 0.00 H new ATOM 0 HG21 ILE B 86 5.133 -7.862 1.278 1.00 0.00 H new ATOM 0 HG22 ILE B 86 4.605 -9.562 1.277 1.00 0.00 H new ATOM 0 HG23 ILE B 86 5.430 -8.886 -0.147 1.00 0.00 H new ATOM 0 HD11 ILE B 86 3.556 -4.856 -0.543 1.00 0.00 H new ATOM 0 HD12 ILE B 86 2.418 -5.726 0.513 1.00 0.00 H new ATOM 0 HD13 ILE B 86 4.161 -5.749 0.872 1.00 0.00 H new ATOM 1333 N GLU B 87 3.772 -11.403 0.200 1.00 0.00 N ATOM 1334 CA GLU B 87 3.667 -12.681 0.969 1.00 0.00 C ATOM 1335 C GLU B 87 5.045 -13.124 1.468 1.00 0.00 C ATOM 1336 O GLU B 87 5.533 -14.183 1.127 1.00 0.00 O ATOM 1337 CB GLU B 87 3.076 -13.767 0.065 1.00 0.00 C ATOM 1338 CG GLU B 87 3.656 -13.633 -1.343 1.00 0.00 C ATOM 1339 CD GLU B 87 3.400 -14.921 -2.129 1.00 0.00 C ATOM 1340 OE1 GLU B 87 2.304 -15.071 -2.641 1.00 0.00 O ATOM 1341 OE2 GLU B 87 4.304 -15.736 -2.202 1.00 0.00 O ATOM 0 H GLU B 87 4.702 -11.174 -0.151 1.00 0.00 H new ATOM 0 HA GLU B 87 3.020 -12.522 1.831 1.00 0.00 H new ATOM 0 HB2 GLU B 87 3.301 -14.754 0.470 1.00 0.00 H new ATOM 0 HB3 GLU B 87 1.990 -13.676 0.032 1.00 0.00 H new ATOM 0 HG2 GLU B 87 3.201 -12.786 -1.856 1.00 0.00 H new ATOM 0 HG3 GLU B 87 4.726 -13.435 -1.289 1.00 0.00 H new ATOM 1348 N GLY B 88 5.663 -12.325 2.282 1.00 0.00 N ATOM 1349 CA GLY B 88 6.999 -12.677 2.834 1.00 0.00 C ATOM 1350 C GLY B 88 7.396 -11.591 3.819 1.00 0.00 C ATOM 1351 O GLY B 88 6.901 -11.530 4.927 1.00 0.00 O ATOM 0 H GLY B 88 5.295 -11.427 2.595 1.00 0.00 H new ATOM 0 HA2 GLY B 88 6.964 -13.647 3.329 1.00 0.00 H new ATOM 0 HA3 GLY B 88 7.735 -12.754 2.033 1.00 0.00 H new ATOM 1355 N ARG B 89 8.251 -10.710 3.405 1.00 0.00 N ATOM 1356 CA ARG B 89 8.656 -9.583 4.284 1.00 0.00 C ATOM 1357 C ARG B 89 8.112 -8.309 3.651 1.00 0.00 C ATOM 1358 O ARG B 89 8.396 -7.999 2.512 1.00 0.00 O ATOM 1359 CB ARG B 89 10.175 -9.518 4.393 1.00 0.00 C ATOM 1360 CG ARG B 89 10.671 -10.652 5.292 1.00 0.00 C ATOM 1361 CD ARG B 89 12.131 -10.398 5.680 1.00 0.00 C ATOM 1362 NE ARG B 89 12.922 -11.663 5.555 1.00 0.00 N ATOM 1363 CZ ARG B 89 12.456 -12.797 6.009 1.00 0.00 C ATOM 1364 NH1 ARG B 89 11.324 -12.833 6.657 1.00 0.00 N ATOM 1365 NH2 ARG B 89 13.137 -13.895 5.834 1.00 0.00 N ATOM 0 H ARG B 89 8.693 -10.720 2.486 1.00 0.00 H new ATOM 0 HA ARG B 89 8.261 -9.713 5.292 1.00 0.00 H new ATOM 0 HB2 ARG B 89 10.625 -9.601 3.404 1.00 0.00 H new ATOM 0 HB3 ARG B 89 10.480 -8.555 4.803 1.00 0.00 H new ATOM 0 HG2 ARG B 89 10.052 -10.717 6.187 1.00 0.00 H new ATOM 0 HG3 ARG B 89 10.583 -11.606 4.773 1.00 0.00 H new ATOM 0 HD2 ARG B 89 12.558 -9.628 5.038 1.00 0.00 H new ATOM 0 HD3 ARG B 89 12.184 -10.026 6.703 1.00 0.00 H new ATOM 0 HE ARG B 89 13.839 -11.640 5.109 1.00 0.00 H new ATOM 0 HH11 ARG B 89 10.797 -11.973 6.812 1.00 0.00 H new ATOM 0 HH12 ARG B 89 10.966 -13.721 7.009 1.00 0.00 H new ATOM 0 HH21 ARG B 89 14.031 -13.868 5.344 1.00 0.00 H new ATOM 0 HH22 ARG B 89 12.776 -14.781 6.187 1.00 0.00 H new ATOM 1379 N VAL B 90 7.293 -7.601 4.363 1.00 0.00 N ATOM 1380 CA VAL B 90 6.672 -6.373 3.789 1.00 0.00 C ATOM 1381 C VAL B 90 7.412 -5.120 4.240 1.00 0.00 C ATOM 1382 O VAL B 90 8.081 -5.104 5.255 1.00 0.00 O ATOM 1383 CB VAL B 90 5.219 -6.283 4.265 1.00 0.00 C ATOM 1384 CG1 VAL B 90 4.523 -5.085 3.607 1.00 0.00 C ATOM 1385 CG2 VAL B 90 4.477 -7.569 3.886 1.00 0.00 C ATOM 0 H VAL B 90 7.022 -7.816 5.323 1.00 0.00 H new ATOM 0 HA VAL B 90 6.723 -6.436 2.702 1.00 0.00 H new ATOM 0 HB VAL B 90 5.207 -6.155 5.347 1.00 0.00 H new ATOM 0 HG11 VAL B 90 3.490 -5.030 3.952 1.00 0.00 H new ATOM 0 HG12 VAL B 90 5.045 -4.167 3.877 1.00 0.00 H new ATOM 0 HG13 VAL B 90 4.538 -5.206 2.524 1.00 0.00 H new ATOM 0 HG21 VAL B 90 3.443 -7.506 4.225 1.00 0.00 H new ATOM 0 HG22 VAL B 90 4.497 -7.695 2.804 1.00 0.00 H new ATOM 0 HG23 VAL B 90 4.962 -8.422 4.360 1.00 0.00 H new ATOM 1395 N VAL B 91 7.261 -4.052 3.498 1.00 0.00 N ATOM 1396 CA VAL B 91 7.903 -2.768 3.873 1.00 0.00 C ATOM 1397 C VAL B 91 6.797 -1.732 3.999 1.00 0.00 C ATOM 1398 O VAL B 91 6.115 -1.425 3.046 1.00 0.00 O ATOM 1399 CB VAL B 91 8.902 -2.337 2.795 1.00 0.00 C ATOM 1400 CG1 VAL B 91 9.143 -0.825 2.891 1.00 0.00 C ATOM 1401 CG2 VAL B 91 10.226 -3.071 3.016 1.00 0.00 C ATOM 0 H VAL B 91 6.712 -4.021 2.639 1.00 0.00 H new ATOM 0 HA VAL B 91 8.448 -2.872 4.811 1.00 0.00 H new ATOM 0 HB VAL B 91 8.502 -2.580 1.811 1.00 0.00 H new ATOM 0 HG11 VAL B 91 9.854 -0.520 2.123 1.00 0.00 H new ATOM 0 HG12 VAL B 91 8.201 -0.296 2.744 1.00 0.00 H new ATOM 0 HG13 VAL B 91 9.545 -0.582 3.875 1.00 0.00 H new ATOM 0 HG21 VAL B 91 10.942 -2.769 2.252 1.00 0.00 H new ATOM 0 HG22 VAL B 91 10.620 -2.822 4.001 1.00 0.00 H new ATOM 0 HG23 VAL B 91 10.061 -4.147 2.953 1.00 0.00 H new ATOM 1411 N ASN B 92 6.591 -1.208 5.168 1.00 0.00 N ATOM 1412 CA ASN B 92 5.505 -0.209 5.337 1.00 0.00 C ATOM 1413 C ASN B 92 6.055 1.190 5.081 1.00 0.00 C ATOM 1414 O ASN B 92 6.771 1.749 5.888 1.00 0.00 O ATOM 1415 CB ASN B 92 4.952 -0.297 6.757 1.00 0.00 C ATOM 1416 CG ASN B 92 4.219 -1.627 6.941 1.00 0.00 C ATOM 1417 OD1 ASN B 92 3.349 -1.744 7.780 1.00 0.00 O ATOM 1418 ND2 ASN B 92 4.537 -2.642 6.183 1.00 0.00 N ATOM 0 H ASN B 92 7.123 -1.425 6.011 1.00 0.00 H new ATOM 0 HA ASN B 92 4.705 -0.414 4.626 1.00 0.00 H new ATOM 0 HB2 ASN B 92 5.764 -0.215 7.480 1.00 0.00 H new ATOM 0 HB3 ASN B 92 4.272 0.534 6.945 1.00 0.00 H new ATOM 0 HD21 ASN B 92 4.054 -3.534 6.296 1.00 0.00 H new ATOM 0 HD22 ASN B 92 5.268 -2.543 5.478 1.00 0.00 H new ATOM 1425 N ALA B 93 5.717 1.759 3.960 1.00 0.00 N ATOM 1426 CA ALA B 93 6.210 3.124 3.632 1.00 0.00 C ATOM 1427 C ALA B 93 5.118 3.870 2.870 1.00 0.00 C ATOM 1428 O ALA B 93 4.223 3.271 2.313 1.00 0.00 O ATOM 1429 CB ALA B 93 7.458 3.015 2.754 1.00 0.00 C ATOM 0 H ALA B 93 5.117 1.335 3.252 1.00 0.00 H new ATOM 0 HA ALA B 93 6.458 3.661 4.548 1.00 0.00 H new ATOM 0 HB1 ALA B 93 7.821 4.014 2.512 1.00 0.00 H new ATOM 0 HB2 ALA B 93 8.233 2.467 3.290 1.00 0.00 H new ATOM 0 HB3 ALA B 93 7.210 2.486 1.834 1.00 0.00 H new ATOM 1435 N MET B 94 5.175 5.174 2.847 1.00 0.00 N ATOM 1436 CA MET B 94 4.126 5.938 2.125 1.00 0.00 C ATOM 1437 C MET B 94 2.779 5.575 2.726 1.00 0.00 C ATOM 1438 O MET B 94 1.735 5.786 2.140 1.00 0.00 O ATOM 1439 CB MET B 94 4.133 5.557 0.643 1.00 0.00 C ATOM 1440 CG MET B 94 5.567 5.503 0.113 1.00 0.00 C ATOM 1441 SD MET B 94 6.172 7.187 -0.149 1.00 0.00 S ATOM 1442 CE MET B 94 7.885 6.915 0.365 1.00 0.00 C ATOM 0 H MET B 94 5.898 5.737 3.294 1.00 0.00 H new ATOM 0 HA MET B 94 4.314 7.008 2.217 1.00 0.00 H new ATOM 0 HB2 MET B 94 3.652 4.588 0.508 1.00 0.00 H new ATOM 0 HB3 MET B 94 3.554 6.283 0.072 1.00 0.00 H new ATOM 0 HG2 MET B 94 6.209 4.980 0.822 1.00 0.00 H new ATOM 0 HG3 MET B 94 5.601 4.943 -0.821 1.00 0.00 H new ATOM 0 HE1 MET B 94 8.344 7.870 0.620 1.00 0.00 H new ATOM 0 HE2 MET B 94 7.904 6.259 1.235 1.00 0.00 H new ATOM 0 HE3 MET B 94 8.440 6.452 -0.451 1.00 0.00 H new ATOM 1452 N GLY B 95 2.812 5.009 3.888 1.00 0.00 N ATOM 1453 CA GLY B 95 1.548 4.593 4.549 1.00 0.00 C ATOM 1454 C GLY B 95 0.976 3.406 3.777 1.00 0.00 C ATOM 1455 O GLY B 95 -0.212 3.157 3.775 1.00 0.00 O ATOM 0 H GLY B 95 3.663 4.813 4.416 1.00 0.00 H new ATOM 0 HA2 GLY B 95 1.734 4.318 5.587 1.00 0.00 H new ATOM 0 HA3 GLY B 95 0.836 5.418 4.561 1.00 0.00 H new ATOM 1459 N LYS B 96 1.834 2.688 3.107 1.00 0.00 N ATOM 1460 CA LYS B 96 1.391 1.516 2.301 1.00 0.00 C ATOM 1461 C LYS B 96 2.252 0.300 2.640 1.00 0.00 C ATOM 1462 O LYS B 96 2.816 0.196 3.708 1.00 0.00 O ATOM 1463 CB LYS B 96 1.561 1.852 0.814 1.00 0.00 C ATOM 1464 CG LYS B 96 0.650 3.032 0.431 1.00 0.00 C ATOM 1465 CD LYS B 96 -0.220 2.645 -0.772 1.00 0.00 C ATOM 1466 CE LYS B 96 -0.947 3.885 -1.294 1.00 0.00 C ATOM 1467 NZ LYS B 96 -1.954 4.331 -0.291 1.00 0.00 N ATOM 0 H LYS B 96 2.838 2.866 3.084 1.00 0.00 H new ATOM 0 HA LYS B 96 0.348 1.291 2.523 1.00 0.00 H new ATOM 0 HB2 LYS B 96 2.601 2.103 0.607 1.00 0.00 H new ATOM 0 HB3 LYS B 96 1.316 0.981 0.206 1.00 0.00 H new ATOM 0 HG2 LYS B 96 0.018 3.305 1.276 1.00 0.00 H new ATOM 0 HG3 LYS B 96 1.254 3.906 0.189 1.00 0.00 H new ATOM 0 HD2 LYS B 96 0.399 2.215 -1.559 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -0.942 1.882 -0.482 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -0.232 4.685 -1.487 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -1.437 3.660 -2.241 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -2.550 5.075 -0.705 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -2.549 3.524 -0.014 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -1.466 4.705 0.548 1.00 0.00 H new ATOM 1481 N GLN B 97 2.349 -0.612 1.718 1.00 0.00 N ATOM 1482 CA GLN B 97 3.160 -1.840 1.917 1.00 0.00 C ATOM 1483 C GLN B 97 3.961 -2.048 0.630 1.00 0.00 C ATOM 1484 O GLN B 97 3.482 -1.750 -0.444 1.00 0.00 O ATOM 1485 CB GLN B 97 2.212 -3.014 2.151 1.00 0.00 C ATOM 1486 CG GLN B 97 1.703 -2.968 3.607 1.00 0.00 C ATOM 1487 CD GLN B 97 0.232 -3.400 3.685 1.00 0.00 C ATOM 1488 OE1 GLN B 97 -0.359 -3.381 4.745 1.00 0.00 O ATOM 1489 NE2 GLN B 97 -0.385 -3.790 2.606 1.00 0.00 N ATOM 0 H GLN B 97 1.887 -0.555 0.810 1.00 0.00 H new ATOM 0 HA GLN B 97 3.830 -1.759 2.773 1.00 0.00 H new ATOM 0 HB2 GLN B 97 1.373 -2.964 1.457 1.00 0.00 H new ATOM 0 HB3 GLN B 97 2.726 -3.956 1.962 1.00 0.00 H new ATOM 0 HG2 GLN B 97 2.312 -3.622 4.231 1.00 0.00 H new ATOM 0 HG3 GLN B 97 1.812 -1.958 4.003 1.00 0.00 H new ATOM 0 HE21 GLN B 97 0.109 -3.807 1.714 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -1.362 -4.078 2.653 1.00 0.00 H new ATOM 1498 N TRP B 98 5.179 -2.511 0.709 1.00 0.00 N ATOM 1499 CA TRP B 98 5.972 -2.670 -0.544 1.00 0.00 C ATOM 1500 C TRP B 98 6.813 -3.945 -0.492 1.00 0.00 C ATOM 1501 O TRP B 98 7.400 -4.263 0.523 1.00 0.00 O ATOM 1502 CB TRP B 98 6.896 -1.457 -0.679 1.00 0.00 C ATOM 1503 CG TRP B 98 6.083 -0.204 -0.623 1.00 0.00 C ATOM 1504 CD1 TRP B 98 5.671 0.414 0.507 1.00 0.00 C ATOM 1505 CD2 TRP B 98 5.574 0.585 -1.728 1.00 0.00 C ATOM 1506 NE1 TRP B 98 4.934 1.535 0.161 1.00 0.00 N ATOM 1507 CE2 TRP B 98 4.846 1.682 -1.209 1.00 0.00 C ATOM 1508 CE3 TRP B 98 5.670 0.454 -3.118 1.00 0.00 C ATOM 1509 CZ2 TRP B 98 4.236 2.614 -2.047 1.00 0.00 C ATOM 1510 CZ3 TRP B 98 5.063 1.387 -3.965 1.00 0.00 C ATOM 1511 CH2 TRP B 98 4.345 2.466 -3.433 1.00 0.00 C ATOM 0 H TRP B 98 5.653 -2.782 1.571 1.00 0.00 H new ATOM 0 HA TRP B 98 5.297 -2.740 -1.397 1.00 0.00 H new ATOM 0 HB2 TRP B 98 7.636 -1.459 0.121 1.00 0.00 H new ATOM 0 HB3 TRP B 98 7.444 -1.506 -1.620 1.00 0.00 H new ATOM 0 HD1 TRP B 98 5.882 0.087 1.515 1.00 0.00 H new ATOM 0 HE1 TRP B 98 4.509 2.172 0.835 1.00 0.00 H new ATOM 0 HE3 TRP B 98 6.218 -0.375 -3.541 1.00 0.00 H new ATOM 0 HZ2 TRP B 98 3.684 3.443 -1.629 1.00 0.00 H new ATOM 0 HZ3 TRP B 98 5.148 1.275 -5.036 1.00 0.00 H new ATOM 0 HH2 TRP B 98 3.877 3.182 -4.092 1.00 0.00 H new ATOM 1522 N HIS B 99 6.913 -4.662 -1.585 1.00 0.00 N ATOM 1523 CA HIS B 99 7.764 -5.886 -1.560 1.00 0.00 C ATOM 1524 C HIS B 99 9.158 -5.446 -1.128 1.00 0.00 C ATOM 1525 O HIS B 99 9.699 -4.489 -1.647 1.00 0.00 O ATOM 1526 CB HIS B 99 7.861 -6.516 -2.953 1.00 0.00 C ATOM 1527 CG HIS B 99 6.652 -7.363 -3.236 1.00 0.00 C ATOM 1528 ND1 HIS B 99 5.766 -7.059 -4.255 1.00 0.00 N ATOM 1529 CD2 HIS B 99 6.180 -8.513 -2.659 1.00 0.00 C ATOM 1530 CE1 HIS B 99 4.813 -8.009 -4.263 1.00 0.00 C ATOM 1531 NE2 HIS B 99 5.019 -8.921 -3.310 1.00 0.00 N ATOM 0 H HIS B 99 6.453 -4.458 -2.472 1.00 0.00 H new ATOM 0 HA HIS B 99 7.334 -6.623 -0.882 1.00 0.00 H new ATOM 0 HB2 HIS B 99 7.948 -5.733 -3.707 1.00 0.00 H new ATOM 0 HB3 HIS B 99 8.762 -7.125 -3.021 1.00 0.00 H new ATOM 0 HD2 HIS B 99 6.639 -9.025 -1.826 1.00 0.00 H new ATOM 0 HE1 HIS B 99 3.984 -8.031 -4.955 1.00 0.00 H new ATOM 0 HE2 HIS B 99 4.448 -9.741 -3.103 1.00 0.00 H new ATOM 1539 N VAL B 100 9.751 -6.120 -0.196 1.00 0.00 N ATOM 1540 CA VAL B 100 11.109 -5.716 0.240 1.00 0.00 C ATOM 1541 C VAL B 100 12.003 -5.632 -0.993 1.00 0.00 C ATOM 1542 O VAL B 100 13.087 -5.087 -0.957 1.00 0.00 O ATOM 1543 CB VAL B 100 11.648 -6.764 1.204 1.00 0.00 C ATOM 1544 CG1 VAL B 100 13.171 -6.667 1.277 1.00 0.00 C ATOM 1545 CG2 VAL B 100 11.047 -6.521 2.589 1.00 0.00 C ATOM 0 H VAL B 100 9.359 -6.931 0.283 1.00 0.00 H new ATOM 0 HA VAL B 100 11.083 -4.748 0.741 1.00 0.00 H new ATOM 0 HB VAL B 100 11.375 -7.759 0.854 1.00 0.00 H new ATOM 0 HG11 VAL B 100 13.551 -7.419 1.968 1.00 0.00 H new ATOM 0 HG12 VAL B 100 13.594 -6.837 0.287 1.00 0.00 H new ATOM 0 HG13 VAL B 100 13.456 -5.675 1.628 1.00 0.00 H new ATOM 0 HG21 VAL B 100 11.427 -7.267 3.287 1.00 0.00 H new ATOM 0 HG22 VAL B 100 11.324 -5.525 2.936 1.00 0.00 H new ATOM 0 HG23 VAL B 100 9.961 -6.597 2.533 1.00 0.00 H new ATOM 1555 N GLU B 101 11.551 -6.189 -2.077 1.00 0.00 N ATOM 1556 CA GLU B 101 12.357 -6.176 -3.323 1.00 0.00 C ATOM 1557 C GLU B 101 11.937 -5.009 -4.226 1.00 0.00 C ATOM 1558 O GLU B 101 12.718 -4.528 -5.023 1.00 0.00 O ATOM 1559 CB GLU B 101 12.140 -7.500 -4.063 1.00 0.00 C ATOM 1560 CG GLU B 101 12.768 -7.436 -5.457 1.00 0.00 C ATOM 1561 CD GLU B 101 14.230 -6.997 -5.345 1.00 0.00 C ATOM 1562 OE1 GLU B 101 15.006 -7.734 -4.761 1.00 0.00 O ATOM 1563 OE2 GLU B 101 14.547 -5.929 -5.844 1.00 0.00 O ATOM 0 H GLU B 101 10.648 -6.657 -2.153 1.00 0.00 H new ATOM 0 HA GLU B 101 13.410 -6.053 -3.068 1.00 0.00 H new ATOM 0 HB2 GLU B 101 12.581 -8.319 -3.495 1.00 0.00 H new ATOM 0 HB3 GLU B 101 11.073 -7.708 -4.146 1.00 0.00 H new ATOM 0 HG2 GLU B 101 12.707 -8.412 -5.939 1.00 0.00 H new ATOM 0 HG3 GLU B 101 12.215 -6.736 -6.084 1.00 0.00 H new ATOM 1570 N HIS B 102 10.711 -4.559 -4.131 1.00 0.00 N ATOM 1571 CA HIS B 102 10.262 -3.434 -5.013 1.00 0.00 C ATOM 1572 C HIS B 102 10.336 -2.101 -4.273 1.00 0.00 C ATOM 1573 O HIS B 102 10.156 -1.056 -4.866 1.00 0.00 O ATOM 1574 CB HIS B 102 8.825 -3.685 -5.484 1.00 0.00 C ATOM 1575 CG HIS B 102 8.786 -4.936 -6.322 1.00 0.00 C ATOM 1576 ND1 HIS B 102 7.660 -5.752 -6.414 1.00 0.00 N ATOM 1577 CD2 HIS B 102 9.735 -5.523 -7.124 1.00 0.00 C ATOM 1578 CE1 HIS B 102 7.968 -6.767 -7.243 1.00 0.00 C ATOM 1579 NE2 HIS B 102 9.217 -6.677 -7.700 1.00 0.00 N ATOM 0 H HIS B 102 10.005 -4.917 -3.487 1.00 0.00 H new ATOM 0 HA HIS B 102 10.926 -3.388 -5.876 1.00 0.00 H new ATOM 0 HB2 HIS B 102 8.162 -3.788 -4.625 1.00 0.00 H new ATOM 0 HB3 HIS B 102 8.466 -2.834 -6.063 1.00 0.00 H new ATOM 0 HD2 HIS B 102 10.734 -5.144 -7.283 1.00 0.00 H new ATOM 0 HE1 HIS B 102 7.284 -7.560 -7.507 1.00 0.00 H new ATOM 0 HE2 HIS B 102 9.691 -7.318 -8.336 1.00 0.00 H new ATOM 1587 N PHE B 103 10.628 -2.104 -3.003 1.00 0.00 N ATOM 1588 CA PHE B 103 10.739 -0.803 -2.297 1.00 0.00 C ATOM 1589 C PHE B 103 12.111 -0.240 -2.618 1.00 0.00 C ATOM 1590 O PHE B 103 13.120 -0.739 -2.160 1.00 0.00 O ATOM 1591 CB PHE B 103 10.585 -0.970 -0.785 1.00 0.00 C ATOM 1592 CG PHE B 103 10.362 0.397 -0.173 1.00 0.00 C ATOM 1593 CD1 PHE B 103 9.245 1.158 -0.546 1.00 0.00 C ATOM 1594 CD2 PHE B 103 11.280 0.911 0.751 1.00 0.00 C ATOM 1595 CE1 PHE B 103 9.046 2.427 0.004 1.00 0.00 C ATOM 1596 CE2 PHE B 103 11.077 2.184 1.300 1.00 0.00 C ATOM 1597 CZ PHE B 103 9.963 2.941 0.926 1.00 0.00 C ATOM 0 H PHE B 103 10.791 -2.935 -2.434 1.00 0.00 H new ATOM 0 HA PHE B 103 9.945 -0.133 -2.626 1.00 0.00 H new ATOM 0 HB2 PHE B 103 9.746 -1.628 -0.560 1.00 0.00 H new ATOM 0 HB3 PHE B 103 11.476 -1.434 -0.362 1.00 0.00 H new ATOM 0 HD1 PHE B 103 8.537 0.763 -1.260 1.00 0.00 H new ATOM 0 HD2 PHE B 103 12.142 0.328 1.040 1.00 0.00 H new ATOM 0 HE1 PHE B 103 8.184 3.011 -0.283 1.00 0.00 H new ATOM 0 HE2 PHE B 103 11.783 2.581 2.014 1.00 0.00 H new ATOM 0 HZ PHE B 103 9.811 3.923 1.349 1.00 0.00 H new ATOM 1607 N VAL B 104 12.160 0.756 -3.448 1.00 0.00 N ATOM 1608 CA VAL B 104 13.473 1.320 -3.858 1.00 0.00 C ATOM 1609 C VAL B 104 13.462 2.839 -3.787 1.00 0.00 C ATOM 1610 O VAL B 104 12.454 3.469 -3.542 1.00 0.00 O ATOM 1611 CB VAL B 104 13.738 0.926 -5.309 1.00 0.00 C ATOM 1612 CG1 VAL B 104 13.728 -0.603 -5.468 1.00 0.00 C ATOM 1613 CG2 VAL B 104 12.651 1.542 -6.196 1.00 0.00 C ATOM 0 H VAL B 104 11.345 1.208 -3.863 1.00 0.00 H new ATOM 0 HA VAL B 104 14.240 0.933 -3.186 1.00 0.00 H new ATOM 0 HB VAL B 104 14.720 1.295 -5.605 1.00 0.00 H new ATOM 0 HG11 VAL B 104 13.919 -0.862 -6.510 1.00 0.00 H new ATOM 0 HG12 VAL B 104 14.503 -1.039 -4.838 1.00 0.00 H new ATOM 0 HG13 VAL B 104 12.755 -0.993 -5.170 1.00 0.00 H new ATOM 0 HG21 VAL B 104 12.830 1.267 -7.235 1.00 0.00 H new ATOM 0 HG22 VAL B 104 11.674 1.170 -5.886 1.00 0.00 H new ATOM 0 HG23 VAL B 104 12.674 2.627 -6.099 1.00 0.00 H new ATOM 1623 N CYS B 105 14.597 3.416 -4.037 1.00 0.00 N ATOM 1624 CA CYS B 105 14.718 4.893 -4.035 1.00 0.00 C ATOM 1625 C CYS B 105 13.832 5.473 -5.132 1.00 0.00 C ATOM 1626 O CYS B 105 13.617 4.860 -6.159 1.00 0.00 O ATOM 1627 CB CYS B 105 16.176 5.251 -4.304 1.00 0.00 C ATOM 1628 SG CYS B 105 16.304 6.949 -4.916 1.00 0.00 S ATOM 0 H CYS B 105 15.462 2.917 -4.246 1.00 0.00 H new ATOM 0 HA CYS B 105 14.404 5.301 -3.074 1.00 0.00 H new ATOM 0 HB2 CYS B 105 16.759 5.142 -3.389 1.00 0.00 H new ATOM 0 HB3 CYS B 105 16.598 4.561 -5.035 1.00 0.00 H new ATOM 1633 N ALA B 106 13.311 6.648 -4.930 1.00 0.00 N ATOM 1634 CA ALA B 106 12.437 7.266 -5.960 1.00 0.00 C ATOM 1635 C ALA B 106 13.280 8.133 -6.902 1.00 0.00 C ATOM 1636 O ALA B 106 12.804 9.100 -7.463 1.00 0.00 O ATOM 1637 CB ALA B 106 11.389 8.122 -5.257 1.00 0.00 C ATOM 0 H ALA B 106 13.454 7.210 -4.091 1.00 0.00 H new ATOM 0 HA ALA B 106 11.945 6.491 -6.548 1.00 0.00 H new ATOM 0 HB1 ALA B 106 10.738 8.584 -6.000 1.00 0.00 H new ATOM 0 HB2 ALA B 106 10.794 7.496 -4.592 1.00 0.00 H new ATOM 0 HB3 ALA B 106 11.885 8.899 -4.676 1.00 0.00 H new ATOM 1643 N LYS B 107 14.532 7.792 -7.076 1.00 0.00 N ATOM 1644 CA LYS B 107 15.417 8.592 -7.982 1.00 0.00 C ATOM 1645 C LYS B 107 16.300 7.658 -8.815 1.00 0.00 C ATOM 1646 O LYS B 107 16.665 7.970 -9.931 1.00 0.00 O ATOM 1647 CB LYS B 107 16.324 9.503 -7.146 1.00 0.00 C ATOM 1648 CG LYS B 107 17.175 10.385 -8.066 1.00 0.00 C ATOM 1649 CD LYS B 107 16.266 11.268 -8.932 1.00 0.00 C ATOM 1650 CE LYS B 107 16.976 12.589 -9.252 1.00 0.00 C ATOM 1651 NZ LYS B 107 16.834 13.521 -8.097 1.00 0.00 N ATOM 0 H LYS B 107 14.982 6.993 -6.630 1.00 0.00 H new ATOM 0 HA LYS B 107 14.789 9.190 -8.642 1.00 0.00 H new ATOM 0 HB2 LYS B 107 15.719 10.127 -6.488 1.00 0.00 H new ATOM 0 HB3 LYS B 107 16.970 8.900 -6.508 1.00 0.00 H new ATOM 0 HG2 LYS B 107 17.842 11.009 -7.471 1.00 0.00 H new ATOM 0 HG3 LYS B 107 17.804 9.762 -8.702 1.00 0.00 H new ATOM 0 HD2 LYS B 107 16.012 10.748 -9.856 1.00 0.00 H new ATOM 0 HD3 LYS B 107 15.330 11.465 -8.409 1.00 0.00 H new ATOM 0 HE2 LYS B 107 18.031 12.407 -9.459 1.00 0.00 H new ATOM 0 HE3 LYS B 107 16.548 13.036 -10.149 1.00 0.00 H new ATOM 0 HZ1 LYS B 107 16.866 14.503 -8.438 1.00 0.00 H new ATOM 0 HZ2 LYS B 107 15.925 13.348 -7.621 1.00 0.00 H new ATOM 0 HZ3 LYS B 107 17.612 13.362 -7.425 1.00 0.00 H new ATOM 1665 N CYS B 108 16.663 6.526 -8.272 1.00 0.00 N ATOM 1666 CA CYS B 108 17.549 5.583 -9.021 1.00 0.00 C ATOM 1667 C CYS B 108 16.944 4.180 -9.020 1.00 0.00 C ATOM 1668 O CYS B 108 17.342 3.327 -9.785 1.00 0.00 O ATOM 1669 CB CYS B 108 18.909 5.544 -8.330 1.00 0.00 C ATOM 1670 SG CYS B 108 18.702 4.859 -6.673 1.00 0.00 S ATOM 0 H CYS B 108 16.385 6.212 -7.342 1.00 0.00 H new ATOM 0 HA CYS B 108 17.654 5.921 -10.052 1.00 0.00 H new ATOM 0 HB2 CYS B 108 19.607 4.936 -8.905 1.00 0.00 H new ATOM 0 HB3 CYS B 108 19.332 6.547 -8.273 1.00 0.00 H new ATOM 1675 N GLU B 109 15.991 3.935 -8.165 1.00 0.00 N ATOM 1676 CA GLU B 109 15.360 2.593 -8.108 1.00 0.00 C ATOM 1677 C GLU B 109 16.330 1.579 -7.504 1.00 0.00 C ATOM 1678 O GLU B 109 16.497 0.490 -8.010 1.00 0.00 O ATOM 1679 CB GLU B 109 14.939 2.138 -9.512 1.00 0.00 C ATOM 1680 CG GLU B 109 14.360 3.325 -10.294 1.00 0.00 C ATOM 1681 CD GLU B 109 13.350 2.816 -11.327 1.00 0.00 C ATOM 1682 OE1 GLU B 109 12.220 2.560 -10.945 1.00 0.00 O ATOM 1683 OE2 GLU B 109 13.726 2.692 -12.480 1.00 0.00 O ATOM 0 H GLU B 109 15.621 4.614 -7.499 1.00 0.00 H new ATOM 0 HA GLU B 109 14.473 2.656 -7.478 1.00 0.00 H new ATOM 0 HB2 GLU B 109 15.797 1.726 -10.043 1.00 0.00 H new ATOM 0 HB3 GLU B 109 14.197 1.343 -9.439 1.00 0.00 H new ATOM 0 HG2 GLU B 109 13.876 4.023 -9.610 1.00 0.00 H new ATOM 0 HG3 GLU B 109 15.161 3.871 -10.792 1.00 0.00 H new ATOM 1690 N LYS B 110 16.943 1.922 -6.401 1.00 0.00 N ATOM 1691 CA LYS B 110 17.873 0.967 -5.732 1.00 0.00 C ATOM 1692 C LYS B 110 17.120 0.343 -4.544 1.00 0.00 C ATOM 1693 O LYS B 110 16.833 1.029 -3.583 1.00 0.00 O ATOM 1694 CB LYS B 110 19.112 1.713 -5.225 1.00 0.00 C ATOM 1695 CG LYS B 110 20.242 0.712 -4.952 1.00 0.00 C ATOM 1696 CD LYS B 110 20.242 0.312 -3.475 1.00 0.00 C ATOM 1697 CE LYS B 110 21.389 -0.665 -3.208 1.00 0.00 C ATOM 1698 NZ LYS B 110 22.662 -0.088 -3.723 1.00 0.00 N ATOM 0 H LYS B 110 16.839 2.823 -5.935 1.00 0.00 H new ATOM 0 HA LYS B 110 18.198 0.196 -6.431 1.00 0.00 H new ATOM 0 HB2 LYS B 110 19.434 2.447 -5.964 1.00 0.00 H new ATOM 0 HB3 LYS B 110 18.871 2.261 -4.314 1.00 0.00 H new ATOM 0 HG2 LYS B 110 20.114 -0.172 -5.577 1.00 0.00 H new ATOM 0 HG3 LYS B 110 21.202 1.154 -5.217 1.00 0.00 H new ATOM 0 HD2 LYS B 110 20.351 1.197 -2.848 1.00 0.00 H new ATOM 0 HD3 LYS B 110 19.290 -0.149 -3.213 1.00 0.00 H new ATOM 0 HE2 LYS B 110 21.472 -0.861 -2.139 1.00 0.00 H new ATOM 0 HE3 LYS B 110 21.188 -1.620 -3.693 1.00 0.00 H new ATOM 0 HZ1 LYS B 110 23.467 -0.546 -3.250 1.00 0.00 H new ATOM 0 HZ2 LYS B 110 22.726 -0.248 -4.749 1.00 0.00 H new ATOM 0 HZ3 LYS B 110 22.683 0.934 -3.530 1.00 0.00 H new ATOM 1712 N PRO B 111 16.785 -0.923 -4.649 1.00 0.00 N ATOM 1713 CA PRO B 111 16.018 -1.611 -3.595 1.00 0.00 C ATOM 1714 C PRO B 111 16.834 -1.803 -2.325 1.00 0.00 C ATOM 1715 O PRO B 111 17.990 -2.174 -2.352 1.00 0.00 O ATOM 1716 CB PRO B 111 15.666 -2.977 -4.194 1.00 0.00 C ATOM 1717 CG PRO B 111 16.425 -3.112 -5.530 1.00 0.00 C ATOM 1718 CD PRO B 111 17.129 -1.771 -5.807 1.00 0.00 C ATOM 0 HA PRO B 111 15.143 -1.028 -3.308 1.00 0.00 H new ATOM 0 HB2 PRO B 111 15.948 -3.778 -3.511 1.00 0.00 H new ATOM 0 HB3 PRO B 111 14.591 -3.059 -4.355 1.00 0.00 H new ATOM 0 HG2 PRO B 111 17.153 -3.922 -5.476 1.00 0.00 H new ATOM 0 HG3 PRO B 111 15.736 -3.356 -6.338 1.00 0.00 H new ATOM 0 HD2 PRO B 111 18.208 -1.901 -5.897 1.00 0.00 H new ATOM 0 HD3 PRO B 111 16.783 -1.327 -6.740 1.00 0.00 H new ATOM 1726 N PHE B 112 16.209 -1.584 -1.208 1.00 0.00 N ATOM 1727 CA PHE B 112 16.905 -1.782 0.098 1.00 0.00 C ATOM 1728 C PHE B 112 16.577 -3.178 0.628 1.00 0.00 C ATOM 1729 O PHE B 112 16.068 -3.329 1.721 1.00 0.00 O ATOM 1730 CB PHE B 112 17.217 -0.581 1.847 1.00 0.00 C ATOM 1731 CG PHE B 112 16.125 0.550 0.424 1.00 0.00 C ATOM 1732 CD1 PHE B 112 14.890 0.725 -0.207 1.00 0.00 C ATOM 1733 CD2 PHE B 112 17.067 1.579 0.418 1.00 0.00 C ATOM 1734 CE1 PHE B 112 14.597 1.938 -0.844 1.00 0.00 C ATOM 1735 CE2 PHE B 112 16.779 2.786 -0.218 1.00 0.00 C ATOM 1736 CZ PHE B 112 15.545 2.970 -0.849 1.00 0.00 C ATOM 0 H PHE B 112 15.240 -1.274 -1.138 1.00 0.00 H new ATOM 0 HA PHE B 112 17.808 -1.410 -0.387 1.00 0.00 H new ATOM 0 HB2 PHE B 112 16.729 -0.869 2.778 1.00 0.00 H new ATOM 0 HB3 PHE B 112 18.231 -0.272 2.101 1.00 0.00 H new ATOM 0 HD1 PHE B 112 14.163 -0.074 -0.203 1.00 0.00 H new ATOM 0 HD2 PHE B 112 18.020 1.441 0.906 1.00 0.00 H new ATOM 0 HE1 PHE B 112 13.643 2.077 -1.330 1.00 0.00 H new ATOM 0 HE2 PHE B 112 17.511 3.580 -0.223 1.00 0.00 H new ATOM 0 HZ PHE B 112 15.323 3.906 -1.340 1.00 0.00 H new ATOM 1745 N LEU B 113 16.860 -4.199 -0.133 1.00 0.00 N ATOM 1746 CA LEU B 113 16.558 -5.584 0.335 1.00 0.00 C ATOM 1747 C LEU B 113 16.874 -5.685 1.827 1.00 0.00 C ATOM 1748 O LEU B 113 16.037 -6.044 2.633 1.00 0.00 O ATOM 1749 CB LEU B 113 17.431 -6.578 -0.433 1.00 0.00 C ATOM 1750 CG LEU B 113 16.727 -6.979 -1.733 1.00 0.00 C ATOM 1751 CD1 LEU B 113 16.464 -5.732 -2.553 1.00 0.00 C ATOM 1752 CD2 LEU B 113 17.612 -7.932 -2.537 1.00 0.00 C ATOM 0 H LEU B 113 17.287 -4.136 -1.057 1.00 0.00 H new ATOM 0 HA LEU B 113 15.506 -5.812 0.163 1.00 0.00 H new ATOM 0 HB2 LEU B 113 18.400 -6.131 -0.655 1.00 0.00 H new ATOM 0 HB3 LEU B 113 17.619 -7.461 0.178 1.00 0.00 H new ATOM 0 HG LEU B 113 15.788 -7.480 -1.496 1.00 0.00 H new ATOM 0 HD11 LEU B 113 15.963 -6.006 -3.481 1.00 0.00 H new ATOM 0 HD12 LEU B 113 15.830 -5.051 -1.986 1.00 0.00 H new ATOM 0 HD13 LEU B 113 17.410 -5.241 -2.783 1.00 0.00 H new ATOM 0 HD21 LEU B 113 17.102 -8.211 -3.459 1.00 0.00 H new ATOM 0 HD22 LEU B 113 18.553 -7.438 -2.778 1.00 0.00 H new ATOM 0 HD23 LEU B 113 17.812 -8.827 -1.948 1.00 0.00 H new ATOM 1764 N GLY B 114 18.076 -5.352 2.195 1.00 0.00 N ATOM 1765 CA GLY B 114 18.473 -5.402 3.631 1.00 0.00 C ATOM 1766 C GLY B 114 19.243 -4.129 3.977 1.00 0.00 C ATOM 1767 O GLY B 114 20.119 -4.131 4.818 1.00 0.00 O ATOM 0 H GLY B 114 18.810 -5.044 1.557 1.00 0.00 H new ATOM 0 HA2 GLY B 114 17.590 -5.492 4.263 1.00 0.00 H new ATOM 0 HA3 GLY B 114 19.091 -6.280 3.821 1.00 0.00 H new ATOM 1771 N HIS B 115 18.924 -3.041 3.326 1.00 0.00 N ATOM 1772 CA HIS B 115 19.638 -1.756 3.603 1.00 0.00 C ATOM 1773 C HIS B 115 18.660 -0.725 4.171 1.00 0.00 C ATOM 1774 O HIS B 115 17.483 -0.988 4.323 1.00 0.00 O ATOM 1775 CB HIS B 115 20.247 -1.221 2.301 1.00 0.00 C ATOM 1776 CG HIS B 115 20.639 -2.370 1.415 1.00 0.00 C ATOM 1777 ND1 HIS B 115 20.456 -2.340 0.040 1.00 0.00 N ATOM 1778 CD2 HIS B 115 21.202 -3.590 1.690 1.00 0.00 C ATOM 1779 CE1 HIS B 115 20.902 -3.511 -0.453 1.00 0.00 C ATOM 1780 NE2 HIS B 115 21.368 -4.309 0.509 1.00 0.00 N ATOM 0 H HIS B 115 18.198 -2.985 2.612 1.00 0.00 H new ATOM 0 HA HIS B 115 20.429 -1.936 4.332 1.00 0.00 H new ATOM 0 HB2 HIS B 115 19.528 -0.582 1.788 1.00 0.00 H new ATOM 0 HB3 HIS B 115 21.119 -0.606 2.522 1.00 0.00 H new ATOM 0 HD2 HIS B 115 21.475 -3.940 2.674 1.00 0.00 H new ATOM 0 HE1 HIS B 115 20.885 -3.773 -1.501 1.00 0.00 H new ATOM 0 HE2 HIS B 115 21.761 -5.244 0.403 1.00 0.00 H new ATOM 1788 N ARG B 116 19.144 0.447 4.485 1.00 0.00 N ATOM 1789 CA ARG B 116 18.255 1.510 5.044 1.00 0.00 C ATOM 1790 C ARG B 116 17.766 2.411 3.908 1.00 0.00 C ATOM 1791 O ARG B 116 18.482 2.672 2.960 1.00 0.00 O ATOM 1792 CB ARG B 116 19.051 2.350 6.054 1.00 0.00 C ATOM 1793 CG ARG B 116 18.327 3.675 6.324 1.00 0.00 C ATOM 1794 CD ARG B 116 18.921 4.341 7.567 1.00 0.00 C ATOM 1795 NE ARG B 116 18.079 5.508 7.954 1.00 0.00 N ATOM 1796 CZ ARG B 116 18.212 6.044 9.134 1.00 0.00 C ATOM 1797 NH1 ARG B 116 19.083 5.561 9.978 1.00 0.00 N ATOM 1798 NH2 ARG B 116 17.474 7.066 9.475 1.00 0.00 N ATOM 0 H ARG B 116 20.122 0.716 4.378 1.00 0.00 H new ATOM 0 HA ARG B 116 17.399 1.052 5.539 1.00 0.00 H new ATOM 0 HB2 ARG B 116 19.171 1.796 6.985 1.00 0.00 H new ATOM 0 HB3 ARG B 116 20.051 2.545 5.668 1.00 0.00 H new ATOM 0 HG2 ARG B 116 18.425 4.336 5.463 1.00 0.00 H new ATOM 0 HG3 ARG B 116 17.262 3.496 6.469 1.00 0.00 H new ATOM 0 HD2 ARG B 116 18.970 3.626 8.388 1.00 0.00 H new ATOM 0 HD3 ARG B 116 19.942 4.666 7.366 1.00 0.00 H new ATOM 0 HE ARG B 116 17.399 5.887 7.295 1.00 0.00 H new ATOM 0 HH11 ARG B 116 19.661 4.763 9.714 1.00 0.00 H new ATOM 0 HH12 ARG B 116 19.186 5.982 10.901 1.00 0.00 H new ATOM 0 HH21 ARG B 116 16.793 7.445 8.817 1.00 0.00 H new ATOM 0 HH22 ARG B 116 17.579 7.485 10.399 1.00 0.00 H new ATOM 1812 N HIS B 117 16.553 2.898 3.999 1.00 0.00 N ATOM 1813 CA HIS B 117 16.024 3.796 2.929 1.00 0.00 C ATOM 1814 C HIS B 117 15.752 5.175 3.510 1.00 0.00 C ATOM 1815 O HIS B 117 15.796 5.384 4.706 1.00 0.00 O ATOM 1816 CB HIS B 117 14.722 3.239 2.362 1.00 0.00 C ATOM 1817 CG HIS B 117 13.857 2.750 3.490 1.00 0.00 C ATOM 1818 ND1 HIS B 117 13.948 1.462 3.991 1.00 0.00 N ATOM 1819 CD2 HIS B 117 12.873 3.369 4.223 1.00 0.00 C ATOM 1820 CE1 HIS B 117 13.044 1.347 4.984 1.00 0.00 C ATOM 1821 NE2 HIS B 117 12.364 2.481 5.167 1.00 0.00 N ATOM 0 H HIS B 117 15.908 2.712 4.767 1.00 0.00 H new ATOM 0 HA HIS B 117 16.766 3.861 2.134 1.00 0.00 H new ATOM 0 HB2 HIS B 117 14.199 4.010 1.796 1.00 0.00 H new ATOM 0 HB3 HIS B 117 14.933 2.423 1.670 1.00 0.00 H new ATOM 0 HD2 HIS B 117 12.545 4.389 4.087 1.00 0.00 H new ATOM 0 HE1 HIS B 117 12.889 0.447 5.561 1.00 0.00 H new ATOM 0 HE2 HIS B 117 11.629 2.659 5.852 1.00 0.00 H new ATOM 1829 N TYR B 118 15.488 6.121 2.658 1.00 0.00 N ATOM 1830 CA TYR B 118 15.230 7.508 3.120 1.00 0.00 C ATOM 1831 C TYR B 118 13.969 8.036 2.423 1.00 0.00 C ATOM 1832 O TYR B 118 13.757 7.803 1.250 1.00 0.00 O ATOM 1833 CB TYR B 118 16.460 8.337 2.768 1.00 0.00 C ATOM 1834 CG TYR B 118 17.685 7.569 3.220 1.00 0.00 C ATOM 1835 CD1 TYR B 118 18.062 6.395 2.550 1.00 0.00 C ATOM 1836 CD2 TYR B 118 18.423 8.002 4.326 1.00 0.00 C ATOM 1837 CE1 TYR B 118 19.170 5.663 2.986 1.00 0.00 C ATOM 1838 CE2 TYR B 118 19.529 7.262 4.761 1.00 0.00 C ATOM 1839 CZ TYR B 118 19.899 6.096 4.095 1.00 0.00 C ATOM 1840 OH TYR B 118 20.986 5.366 4.536 1.00 0.00 O ATOM 0 H TYR B 118 15.439 5.990 1.648 1.00 0.00 H new ATOM 0 HA TYR B 118 15.059 7.558 4.195 1.00 0.00 H new ATOM 0 HB2 TYR B 118 16.501 8.522 1.695 1.00 0.00 H new ATOM 0 HB3 TYR B 118 16.417 9.310 3.258 1.00 0.00 H new ATOM 0 HD1 TYR B 118 17.495 6.056 1.696 1.00 0.00 H new ATOM 0 HD2 TYR B 118 18.140 8.906 4.844 1.00 0.00 H new ATOM 0 HE1 TYR B 118 19.462 4.763 2.465 1.00 0.00 H new ATOM 0 HE2 TYR B 118 20.097 7.597 5.616 1.00 0.00 H new ATOM 0 HH TYR B 118 21.106 4.579 3.964 1.00 0.00 H new ATOM 1850 N GLU B 119 13.115 8.714 3.147 1.00 0.00 N ATOM 1851 CA GLU B 119 11.840 9.218 2.540 1.00 0.00 C ATOM 1852 C GLU B 119 11.887 10.732 2.333 1.00 0.00 C ATOM 1853 O GLU B 119 12.498 11.461 3.088 1.00 0.00 O ATOM 1854 CB GLU B 119 10.676 8.880 3.476 1.00 0.00 C ATOM 1855 CG GLU B 119 10.228 7.438 3.238 1.00 0.00 C ATOM 1856 CD GLU B 119 9.255 7.016 4.339 1.00 0.00 C ATOM 1857 OE1 GLU B 119 8.069 7.247 4.171 1.00 0.00 O ATOM 1858 OE2 GLU B 119 9.710 6.470 5.329 1.00 0.00 O ATOM 0 H GLU B 119 13.243 8.942 4.133 1.00 0.00 H new ATOM 0 HA GLU B 119 11.707 8.740 1.569 1.00 0.00 H new ATOM 0 HB2 GLU B 119 10.982 9.010 4.514 1.00 0.00 H new ATOM 0 HB3 GLU B 119 9.845 9.563 3.301 1.00 0.00 H new ATOM 0 HG2 GLU B 119 9.749 7.351 2.263 1.00 0.00 H new ATOM 0 HG3 GLU B 119 11.093 6.774 3.229 1.00 0.00 H new ATOM 1865 N ARG B 120 11.221 11.205 1.312 1.00 0.00 N ATOM 1866 CA ARG B 120 11.195 12.672 1.046 1.00 0.00 C ATOM 1867 C ARG B 120 9.902 13.061 0.323 1.00 0.00 C ATOM 1868 O ARG B 120 9.532 12.479 -0.678 1.00 0.00 O ATOM 1869 CB ARG B 120 12.384 13.067 0.172 1.00 0.00 C ATOM 1870 CG ARG B 120 12.423 14.596 0.011 1.00 0.00 C ATOM 1871 CD ARG B 120 12.384 14.965 -1.474 1.00 0.00 C ATOM 1872 NE ARG B 120 11.251 14.261 -2.138 1.00 0.00 N ATOM 1873 CZ ARG B 120 10.859 14.634 -3.328 1.00 0.00 C ATOM 1874 NH1 ARG B 120 11.463 15.618 -3.934 1.00 0.00 N ATOM 1875 NH2 ARG B 120 9.866 14.017 -3.910 1.00 0.00 N ATOM 0 H ARG B 120 10.693 10.636 0.650 1.00 0.00 H new ATOM 0 HA ARG B 120 11.248 13.192 2.002 1.00 0.00 H new ATOM 0 HB2 ARG B 120 13.312 12.715 0.623 1.00 0.00 H new ATOM 0 HB3 ARG B 120 12.304 12.591 -0.805 1.00 0.00 H new ATOM 0 HG2 ARG B 120 11.576 15.047 0.529 1.00 0.00 H new ATOM 0 HG3 ARG B 120 13.327 14.996 0.470 1.00 0.00 H new ATOM 0 HD2 ARG B 120 12.271 16.043 -1.588 1.00 0.00 H new ATOM 0 HD3 ARG B 120 13.325 14.691 -1.951 1.00 0.00 H new ATOM 0 HE ARG B 120 10.782 13.489 -1.665 1.00 0.00 H new ATOM 0 HH11 ARG B 120 12.241 16.096 -3.480 1.00 0.00 H new ATOM 0 HH12 ARG B 120 11.158 15.909 -4.863 1.00 0.00 H new ATOM 0 HH21 ARG B 120 9.397 13.245 -3.436 1.00 0.00 H new ATOM 0 HH22 ARG B 120 9.559 14.307 -4.838 1.00 0.00 H new ATOM 1889 N LYS B 121 9.221 14.051 0.828 1.00 0.00 N ATOM 1890 CA LYS B 121 7.955 14.511 0.194 1.00 0.00 C ATOM 1891 C LYS B 121 7.038 13.324 -0.023 1.00 0.00 C ATOM 1892 O LYS B 121 6.153 13.352 -0.855 1.00 0.00 O ATOM 1893 CB LYS B 121 8.255 15.182 -1.146 1.00 0.00 C ATOM 1894 CG LYS B 121 8.992 16.504 -0.912 1.00 0.00 C ATOM 1895 CD LYS B 121 8.955 17.343 -2.190 1.00 0.00 C ATOM 1896 CE LYS B 121 9.643 18.684 -1.938 1.00 0.00 C ATOM 1897 NZ LYS B 121 8.781 19.532 -1.068 1.00 0.00 N ATOM 0 H LYS B 121 9.492 14.568 1.665 1.00 0.00 H new ATOM 0 HA LYS B 121 7.467 15.232 0.850 1.00 0.00 H new ATOM 0 HB2 LYS B 121 8.862 14.522 -1.766 1.00 0.00 H new ATOM 0 HB3 LYS B 121 7.327 15.364 -1.688 1.00 0.00 H new ATOM 0 HG2 LYS B 121 8.527 17.051 -0.092 1.00 0.00 H new ATOM 0 HG3 LYS B 121 10.025 16.310 -0.621 1.00 0.00 H new ATOM 0 HD2 LYS B 121 9.454 16.813 -3.001 1.00 0.00 H new ATOM 0 HD3 LYS B 121 7.923 17.504 -2.502 1.00 0.00 H new ATOM 0 HE2 LYS B 121 10.611 18.524 -1.463 1.00 0.00 H new ATOM 0 HE3 LYS B 121 9.832 19.191 -2.884 1.00 0.00 H new ATOM 0 HZ1 LYS B 121 9.094 20.522 -1.129 1.00 0.00 H new ATOM 0 HZ2 LYS B 121 7.793 19.461 -1.384 1.00 0.00 H new ATOM 0 HZ3 LYS B 121 8.854 19.206 -0.083 1.00 0.00 H new ATOM 1911 N GLY B 122 7.231 12.280 0.724 1.00 0.00 N ATOM 1912 CA GLY B 122 6.357 11.095 0.561 1.00 0.00 C ATOM 1913 C GLY B 122 6.910 10.195 -0.535 1.00 0.00 C ATOM 1914 O GLY B 122 6.181 9.514 -1.227 1.00 0.00 O ATOM 0 H GLY B 122 7.954 12.196 1.438 1.00 0.00 H new ATOM 0 HA2 GLY B 122 6.296 10.545 1.500 1.00 0.00 H new ATOM 0 HA3 GLY B 122 5.344 11.410 0.309 1.00 0.00 H new ATOM 1918 N LEU B 123 8.200 10.186 -0.694 1.00 0.00 N ATOM 1919 CA LEU B 123 8.826 9.326 -1.735 1.00 0.00 C ATOM 1920 C LEU B 123 10.143 8.783 -1.195 1.00 0.00 C ATOM 1921 O LEU B 123 10.860 9.456 -0.480 1.00 0.00 O ATOM 1922 CB LEU B 123 9.085 10.136 -3.006 1.00 0.00 C ATOM 1923 CG LEU B 123 7.814 10.221 -3.850 1.00 0.00 C ATOM 1924 CD1 LEU B 123 8.103 11.073 -5.086 1.00 0.00 C ATOM 1925 CD2 LEU B 123 7.382 8.808 -4.281 1.00 0.00 C ATOM 0 H LEU B 123 8.855 10.742 -0.144 1.00 0.00 H new ATOM 0 HA LEU B 123 8.154 8.503 -1.979 1.00 0.00 H new ATOM 0 HB2 LEU B 123 9.423 11.139 -2.744 1.00 0.00 H new ATOM 0 HB3 LEU B 123 9.883 9.672 -3.585 1.00 0.00 H new ATOM 0 HG LEU B 123 7.011 10.673 -3.268 1.00 0.00 H new ATOM 0 HD11 LEU B 123 7.204 11.142 -5.698 1.00 0.00 H new ATOM 0 HD12 LEU B 123 8.409 12.072 -4.776 1.00 0.00 H new ATOM 0 HD13 LEU B 123 8.903 10.613 -5.666 1.00 0.00 H new ATOM 0 HD21 LEU B 123 6.475 8.872 -4.883 1.00 0.00 H new ATOM 0 HD22 LEU B 123 8.176 8.348 -4.869 1.00 0.00 H new ATOM 0 HD23 LEU B 123 7.188 8.201 -3.397 1.00 0.00 H new ATOM 1937 N ALA B 124 10.460 7.564 -1.516 1.00 0.00 N ATOM 1938 CA ALA B 124 11.722 6.973 -1.002 1.00 0.00 C ATOM 1939 C ALA B 124 12.923 7.514 -1.766 1.00 0.00 C ATOM 1940 O ALA B 124 12.832 7.882 -2.921 1.00 0.00 O ATOM 1941 CB ALA B 124 11.689 5.457 -1.176 1.00 0.00 C ATOM 0 H ALA B 124 9.901 6.952 -2.111 1.00 0.00 H new ATOM 0 HA ALA B 124 11.812 7.236 0.052 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.616 5.027 -0.798 1.00 0.00 H new ATOM 0 HB2 ALA B 124 10.846 5.045 -0.622 1.00 0.00 H new ATOM 0 HB3 ALA B 124 11.581 5.214 -2.233 1.00 0.00 H new ATOM 1947 N TYR B 125 14.058 7.539 -1.127 1.00 0.00 N ATOM 1948 CA TYR B 125 15.283 8.020 -1.801 1.00 0.00 C ATOM 1949 C TYR B 125 16.486 7.371 -1.142 1.00 0.00 C ATOM 1950 O TYR B 125 16.530 7.223 0.057 1.00 0.00 O ATOM 1951 CB TYR B 125 15.393 9.531 -1.658 1.00 0.00 C ATOM 1952 CG TYR B 125 14.432 10.183 -2.603 1.00 0.00 C ATOM 1953 CD1 TYR B 125 14.775 10.352 -3.946 1.00 0.00 C ATOM 1954 CD2 TYR B 125 13.195 10.618 -2.135 1.00 0.00 C ATOM 1955 CE1 TYR B 125 13.864 10.958 -4.823 1.00 0.00 C ATOM 1956 CE2 TYR B 125 12.295 11.222 -3.002 1.00 0.00 C ATOM 1957 CZ TYR B 125 12.623 11.393 -4.350 1.00 0.00 C ATOM 1958 OH TYR B 125 11.726 11.993 -5.208 1.00 0.00 O ATOM 0 H TYR B 125 14.185 7.243 -0.159 1.00 0.00 H new ATOM 0 HA TYR B 125 15.244 7.762 -2.859 1.00 0.00 H new ATOM 0 HB2 TYR B 125 15.173 9.829 -0.633 1.00 0.00 H new ATOM 0 HB3 TYR B 125 16.411 9.856 -1.873 1.00 0.00 H new ATOM 0 HD1 TYR B 125 15.736 10.018 -4.307 1.00 0.00 H new ATOM 0 HD2 TYR B 125 12.935 10.485 -1.095 1.00 0.00 H new ATOM 0 HE1 TYR B 125 14.121 11.089 -5.864 1.00 0.00 H new ATOM 0 HE2 TYR B 125 11.338 11.561 -2.634 1.00 0.00 H new ATOM 0 HH TYR B 125 10.812 11.810 -4.906 1.00 0.00 H new ATOM 1968 N CYS B 126 17.465 6.980 -1.896 1.00 0.00 N ATOM 1969 CA CYS B 126 18.643 6.354 -1.251 1.00 0.00 C ATOM 1970 C CYS B 126 19.217 7.342 -0.230 1.00 0.00 C ATOM 1971 O CYS B 126 18.757 8.459 -0.105 1.00 0.00 O ATOM 1972 CB CYS B 126 19.726 6.055 -2.286 1.00 0.00 C ATOM 1973 SG CYS B 126 19.172 4.746 -3.395 1.00 0.00 S ATOM 0 H CYS B 126 17.503 7.064 -2.912 1.00 0.00 H new ATOM 0 HA CYS B 126 18.335 5.423 -0.774 1.00 0.00 H new ATOM 0 HB2 CYS B 126 19.954 6.955 -2.857 1.00 0.00 H new ATOM 0 HB3 CYS B 126 20.646 5.754 -1.785 1.00 0.00 H new ATOM 1978 N GLU B 127 20.234 6.948 0.477 1.00 0.00 N ATOM 1979 CA GLU B 127 20.860 7.869 1.471 1.00 0.00 C ATOM 1980 C GLU B 127 21.456 9.075 0.741 1.00 0.00 C ATOM 1981 O GLU B 127 21.458 10.182 1.243 1.00 0.00 O ATOM 1982 CB GLU B 127 21.998 7.144 2.196 1.00 0.00 C ATOM 1983 CG GLU B 127 22.499 8.002 3.364 1.00 0.00 C ATOM 1984 CD GLU B 127 23.338 7.138 4.309 1.00 0.00 C ATOM 1985 OE1 GLU B 127 23.832 6.117 3.864 1.00 0.00 O ATOM 1986 OE2 GLU B 127 23.468 7.514 5.461 1.00 0.00 O ATOM 0 H GLU B 127 20.663 6.025 0.412 1.00 0.00 H new ATOM 0 HA GLU B 127 20.101 8.191 2.184 1.00 0.00 H new ATOM 0 HB2 GLU B 127 21.650 6.179 2.565 1.00 0.00 H new ATOM 0 HB3 GLU B 127 22.815 6.945 1.502 1.00 0.00 H new ATOM 0 HG2 GLU B 127 23.095 8.834 2.989 1.00 0.00 H new ATOM 0 HG3 GLU B 127 21.654 8.433 3.901 1.00 0.00 H new ATOM 1993 N THR B 128 21.989 8.854 -0.426 1.00 0.00 N ATOM 1994 CA THR B 128 22.624 9.964 -1.193 1.00 0.00 C ATOM 1995 C THR B 128 21.602 10.713 -2.039 1.00 0.00 C ATOM 1996 O THR B 128 21.611 11.925 -2.089 1.00 0.00 O ATOM 1997 CB THR B 128 23.712 9.391 -2.107 1.00 0.00 C ATOM 1998 OG1 THR B 128 24.742 8.820 -1.310 1.00 0.00 O ATOM 1999 CG2 THR B 128 24.294 10.506 -2.974 1.00 0.00 C ATOM 0 H THR B 128 22.013 7.944 -0.887 1.00 0.00 H new ATOM 0 HA THR B 128 23.057 10.665 -0.480 1.00 0.00 H new ATOM 0 HB THR B 128 23.281 8.624 -2.751 1.00 0.00 H new ATOM 0 HG1 THR B 128 25.439 8.451 -1.892 1.00 0.00 H new ATOM 0 HG21 THR B 128 25.068 10.096 -3.623 1.00 0.00 H new ATOM 0 HG22 THR B 128 23.503 10.943 -3.583 1.00 0.00 H new ATOM 0 HG23 THR B 128 24.727 11.275 -2.335 1.00 0.00 H new ATOM 2007 N HIS B 129 20.725 10.026 -2.708 1.00 0.00 N ATOM 2008 CA HIS B 129 19.736 10.743 -3.538 1.00 0.00 C ATOM 2009 C HIS B 129 18.822 11.524 -2.618 1.00 0.00 C ATOM 2010 O HIS B 129 18.543 12.683 -2.843 1.00 0.00 O ATOM 2011 CB HIS B 129 18.948 9.741 -4.381 1.00 0.00 C ATOM 2012 CG HIS B 129 19.912 9.039 -5.312 1.00 0.00 C ATOM 2013 ND1 HIS B 129 19.853 7.674 -5.601 1.00 0.00 N ATOM 2014 CD2 HIS B 129 20.986 9.519 -6.025 1.00 0.00 C ATOM 2015 CE1 HIS B 129 20.861 7.399 -6.449 1.00 0.00 C ATOM 2016 NE2 HIS B 129 21.579 8.485 -6.739 1.00 0.00 N ATOM 0 H HIS B 129 20.653 9.009 -2.714 1.00 0.00 H new ATOM 0 HA HIS B 129 20.232 11.433 -4.220 1.00 0.00 H new ATOM 0 HB2 HIS B 129 18.446 9.017 -3.739 1.00 0.00 H new ATOM 0 HB3 HIS B 129 18.173 10.252 -4.952 1.00 0.00 H new ATOM 0 HD2 HIS B 129 21.319 10.546 -6.029 1.00 0.00 H new ATOM 0 HE1 HIS B 129 21.064 6.416 -6.847 1.00 0.00 H new ATOM 0 HE2 HIS B 129 22.391 8.544 -7.354 1.00 0.00 H new ATOM 2024 N TYR B 130 18.392 10.923 -1.553 1.00 0.00 N ATOM 2025 CA TYR B 130 17.541 11.653 -0.605 1.00 0.00 C ATOM 2026 C TYR B 130 18.250 12.942 -0.270 1.00 0.00 C ATOM 2027 O TYR B 130 17.734 14.029 -0.433 1.00 0.00 O ATOM 2028 CB TYR B 130 17.417 10.830 0.667 1.00 0.00 C ATOM 2029 CG TYR B 130 16.789 11.665 1.752 1.00 0.00 C ATOM 2030 CD1 TYR B 130 15.762 12.559 1.437 1.00 0.00 C ATOM 2031 CD2 TYR B 130 17.234 11.550 3.073 1.00 0.00 C ATOM 2032 CE1 TYR B 130 15.180 13.330 2.437 1.00 0.00 C ATOM 2033 CE2 TYR B 130 16.648 12.326 4.079 1.00 0.00 C ATOM 2034 CZ TYR B 130 15.620 13.217 3.759 1.00 0.00 C ATOM 2035 OH TYR B 130 15.040 13.986 4.750 1.00 0.00 O ATOM 0 H TYR B 130 18.597 9.956 -1.303 1.00 0.00 H new ATOM 0 HA TYR B 130 16.554 11.841 -1.027 1.00 0.00 H new ATOM 0 HB2 TYR B 130 16.811 9.943 0.480 1.00 0.00 H new ATOM 0 HB3 TYR B 130 18.400 10.483 0.985 1.00 0.00 H new ATOM 0 HD1 TYR B 130 15.420 12.651 0.417 1.00 0.00 H new ATOM 0 HD2 TYR B 130 18.030 10.862 3.317 1.00 0.00 H new ATOM 0 HE1 TYR B 130 14.385 14.019 2.191 1.00 0.00 H new ATOM 0 HE2 TYR B 130 16.989 12.237 5.100 1.00 0.00 H new ATOM 0 HH TYR B 130 15.624 14.745 4.959 1.00 0.00 H new ATOM 2045 N ASN B 131 19.442 12.802 0.204 1.00 0.00 N ATOM 2046 CA ASN B 131 20.228 13.994 0.563 1.00 0.00 C ATOM 2047 C ASN B 131 20.506 14.806 -0.694 1.00 0.00 C ATOM 2048 O ASN B 131 20.346 16.012 -0.709 1.00 0.00 O ATOM 2049 CB ASN B 131 21.542 13.575 1.219 1.00 0.00 C ATOM 2050 CG ASN B 131 21.289 13.177 2.674 1.00 0.00 C ATOM 2051 OD1 ASN B 131 21.253 14.018 3.550 1.00 0.00 O ATOM 2052 ND2 ASN B 131 21.107 11.919 2.970 1.00 0.00 N ATOM 0 H ASN B 131 19.908 11.908 0.359 1.00 0.00 H new ATOM 0 HA ASN B 131 19.665 14.603 1.271 1.00 0.00 H new ATOM 0 HB2 ASN B 131 21.981 12.739 0.674 1.00 0.00 H new ATOM 0 HB3 ASN B 131 22.259 14.395 1.176 1.00 0.00 H new ATOM 0 HD21 ASN B 131 20.935 11.642 3.936 1.00 0.00 H new ATOM 0 HD22 ASN B 131 21.137 11.213 2.235 1.00 0.00 H new ATOM 2059 N GLN B 132 20.898 14.166 -1.763 1.00 0.00 N ATOM 2060 CA GLN B 132 21.146 14.943 -3.010 1.00 0.00 C ATOM 2061 C GLN B 132 19.878 15.731 -3.296 1.00 0.00 C ATOM 2062 O GLN B 132 19.902 16.845 -3.778 1.00 0.00 O ATOM 2063 CB GLN B 132 21.441 14.002 -4.185 1.00 0.00 C ATOM 2064 CG GLN B 132 22.163 14.777 -5.292 1.00 0.00 C ATOM 2065 CD GLN B 132 23.621 15.007 -4.891 1.00 0.00 C ATOM 2066 OE1 GLN B 132 23.989 14.799 -3.749 1.00 0.00 O ATOM 2067 NE2 GLN B 132 24.472 15.430 -5.783 1.00 0.00 N ATOM 0 H GLN B 132 21.054 13.160 -1.827 1.00 0.00 H new ATOM 0 HA GLN B 132 22.007 15.600 -2.885 1.00 0.00 H new ATOM 0 HB2 GLN B 132 22.057 13.167 -3.850 1.00 0.00 H new ATOM 0 HB3 GLN B 132 20.512 13.580 -4.569 1.00 0.00 H new ATOM 0 HG2 GLN B 132 22.116 14.221 -6.229 1.00 0.00 H new ATOM 0 HG3 GLN B 132 21.667 15.733 -5.463 1.00 0.00 H new ATOM 0 HE21 GLN B 132 24.164 15.604 -6.740 1.00 0.00 H new ATOM 0 HE22 GLN B 132 25.446 15.587 -5.524 1.00 0.00 H new ATOM 2076 N LEU B 133 18.764 15.139 -2.970 1.00 0.00 N ATOM 2077 CA LEU B 133 17.457 15.813 -3.175 1.00 0.00 C ATOM 2078 C LEU B 133 17.228 16.827 -2.055 1.00 0.00 C ATOM 2079 O LEU B 133 16.647 17.875 -2.261 1.00 0.00 O ATOM 2080 CB LEU B 133 16.340 14.760 -3.139 1.00 0.00 C ATOM 2081 CG LEU B 133 16.037 14.241 -4.554 1.00 0.00 C ATOM 2082 CD1 LEU B 133 16.888 13.007 -4.866 1.00 0.00 C ATOM 2083 CD2 LEU B 133 14.564 13.859 -4.641 1.00 0.00 C ATOM 0 H LEU B 133 18.705 14.205 -2.565 1.00 0.00 H new ATOM 0 HA LEU B 133 17.454 16.325 -4.137 1.00 0.00 H new ATOM 0 HB2 LEU B 133 16.636 13.930 -2.498 1.00 0.00 H new ATOM 0 HB3 LEU B 133 15.439 15.193 -2.704 1.00 0.00 H new ATOM 0 HG LEU B 133 16.270 15.026 -5.274 1.00 0.00 H new ATOM 0 HD11 LEU B 133 16.661 12.653 -5.871 1.00 0.00 H new ATOM 0 HD12 LEU B 133 17.944 13.268 -4.804 1.00 0.00 H new ATOM 0 HD13 LEU B 133 16.666 12.220 -4.145 1.00 0.00 H new ATOM 0 HD21 LEU B 133 14.342 13.490 -5.642 1.00 0.00 H new ATOM 0 HD22 LEU B 133 14.346 13.080 -3.911 1.00 0.00 H new ATOM 0 HD23 LEU B 133 13.948 14.734 -4.432 1.00 0.00 H new ATOM 2095 N PHE B 134 17.670 16.519 -0.869 1.00 0.00 N ATOM 2096 CA PHE B 134 17.464 17.458 0.270 1.00 0.00 C ATOM 2097 C PHE B 134 18.478 17.171 1.377 1.00 0.00 C ATOM 2098 O PHE B 134 19.493 17.829 1.496 1.00 0.00 O ATOM 2099 CB PHE B 134 16.046 17.268 0.823 1.00 0.00 C ATOM 2100 CG PHE B 134 15.081 18.132 0.049 1.00 0.00 C ATOM 2101 CD1 PHE B 134 14.904 19.474 0.403 1.00 0.00 C ATOM 2102 CD2 PHE B 134 14.370 17.588 -1.023 1.00 0.00 C ATOM 2103 CE1 PHE B 134 14.008 20.276 -0.320 1.00 0.00 C ATOM 2104 CE2 PHE B 134 13.475 18.389 -1.746 1.00 0.00 C ATOM 2105 CZ PHE B 134 13.296 19.732 -1.395 1.00 0.00 C ATOM 0 H PHE B 134 18.165 15.658 -0.638 1.00 0.00 H new ATOM 0 HA PHE B 134 17.598 18.482 -0.079 1.00 0.00 H new ATOM 0 HB2 PHE B 134 15.753 16.221 0.748 1.00 0.00 H new ATOM 0 HB3 PHE B 134 16.019 17.532 1.880 1.00 0.00 H new ATOM 0 HD1 PHE B 134 15.456 19.892 1.232 1.00 0.00 H new ATOM 0 HD2 PHE B 134 14.509 16.552 -1.295 1.00 0.00 H new ATOM 0 HE1 PHE B 134 13.868 21.312 -0.047 1.00 0.00 H new ATOM 0 HE2 PHE B 134 12.923 17.970 -2.574 1.00 0.00 H new ATOM 0 HZ PHE B 134 12.608 20.349 -1.954 1.00 0.00 H new ATOM 2115 N GLY B 135 18.202 16.195 2.188 1.00 0.00 N ATOM 2116 CA GLY B 135 19.134 15.854 3.302 1.00 0.00 C ATOM 2117 C GLY B 135 18.796 16.702 4.530 1.00 0.00 C ATOM 2118 O GLY B 135 19.653 17.045 5.318 1.00 0.00 O ATOM 0 H GLY B 135 17.367 15.612 2.131 1.00 0.00 H new ATOM 0 HA2 GLY B 135 19.054 14.795 3.546 1.00 0.00 H new ATOM 0 HA3 GLY B 135 20.165 16.034 2.996 1.00 0.00 H new ATOM 2122 N ASP B 136 17.547 17.039 4.697 1.00 0.00 N ATOM 2123 CA ASP B 136 17.149 17.864 5.870 1.00 0.00 C ATOM 2124 C ASP B 136 18.087 19.067 5.995 1.00 0.00 C ATOM 2125 O ASP B 136 18.641 19.328 7.043 1.00 0.00 O ATOM 2126 CB ASP B 136 17.235 17.018 7.143 1.00 0.00 C ATOM 2127 CG ASP B 136 16.077 16.017 7.171 1.00 0.00 C ATOM 2128 OD1 ASP B 136 15.430 15.863 6.149 1.00 0.00 O ATOM 2129 OD2 ASP B 136 15.858 15.425 8.214 1.00 0.00 O ATOM 0 H ASP B 136 16.785 16.778 4.071 1.00 0.00 H new ATOM 0 HA ASP B 136 16.126 18.215 5.733 1.00 0.00 H new ATOM 0 HB2 ASP B 136 18.188 16.489 7.177 1.00 0.00 H new ATOM 0 HB3 ASP B 136 17.195 17.661 8.023 1.00 0.00 H new ATOM 2134 N VAL B 137 18.268 19.800 4.931 1.00 0.00 N ATOM 2135 CA VAL B 137 19.172 20.985 4.988 1.00 0.00 C ATOM 2136 C VAL B 137 18.879 21.907 3.804 1.00 0.00 C ATOM 2137 O VAL B 137 19.307 21.711 3.744 1.00 0.00 O ATOM 2138 CB VAL B 137 20.627 20.520 4.924 1.00 0.00 C ATOM 2139 CG1 VAL B 137 20.895 19.864 3.569 1.00 0.00 C ATOM 2140 CG2 VAL B 137 21.555 21.725 5.101 1.00 0.00 C ATOM 0 H VAL B 137 17.830 19.631 4.026 1.00 0.00 H new ATOM 0 HA VAL B 137 19.004 21.525 5.920 1.00 0.00 H new ATOM 0 HB VAL B 137 20.813 19.798 5.719 1.00 0.00 H new ATOM 0 HG11 VAL B 137 21.932 19.533 3.524 1.00 0.00 H new ATOM 0 HG12 VAL B 137 20.234 19.006 3.443 1.00 0.00 H new ATOM 0 HG13 VAL B 137 20.709 20.585 2.773 1.00 0.00 H new ATOM 0 HG21 VAL B 137 22.593 21.395 5.056 1.00 0.00 H new ATOM 0 HG22 VAL B 137 21.369 22.447 4.306 1.00 0.00 H new ATOM 0 HG23 VAL B 137 21.365 22.192 6.067 1.00 0.00 H new TER 2150 VAL B 137 HETATM 2151 ZN ZN B 138 5.897 -5.498 -5.496 1.00 0.00 ZN HETATM 2152 ZN ZN B 139 18.522 6.339 -4.926 1.00 0.00 ZN