USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 746 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 THR OG1 : rot 98:sc= 0.834 USER MOD Set 1.2: A 16 THR OG1 : rot 180:sc= 0.735 USER MOD Set 2.1: A 8 CYS SG : rot 180:sc= 1.06 USER MOD Set 2.2: A 56 THR OG1 : rot -135:sc= 1.43 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= 0 (180deg=-0.14) USER MOD Single : A 2 LYS NZ :NH3+ -143:sc= -0.268 (180deg=-2.17!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 15 SER OG : rot 53:sc= 0.853 USER MOD Single : A 19 ASN : amide:sc= -2.17! C(o=-2.2!,f=-7.3!) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.914 F(o=-2.2!,f=-0.91) USER MOD Single : A 25 MET CE :methyl 149:sc= -3.99! (180deg=-5.55!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.12 X(o=-0.12,f=0.016) USER MOD Single : A 30 ASN : amide:sc= -1.18 X(o=-1.2,f=-1) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -160:sc= -0.932 (180deg=-1.42) USER MOD Single : A 37 GLN :FLIP amide:sc= 0.809 F(o=-0.73,f=0.81) USER MOD Single : A 39 LYS NZ :NH3+ 163:sc= -0.0059 (180deg=-0.106) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 150:sc= -0.192 USER MOD Single : A 55 THR OG1 : rot 77:sc= 0.602 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 42:sc= -0.146 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0501) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.313 K(o=-0.31,f=-1.3) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -160:sc= -1 USER MOD Single : A 83 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0737) USER MOD Single : A 84 GLN : amide:sc= -0.0773 X(o=-0.077,f=0) USER MOD Single : A 85 GLN : amide:sc= -0.401 X(o=-0.4,f=-0.14) USER MOD Single : A 88 THR OG1 : rot 74:sc= 1.25 USER MOD Single : A 91 GLN : amide:sc= -3.04 K(o=-3,f=-4!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.672 0.178 -0.065 1.00 40.24 N ATOM 2 CA MET A 1 2.482 0.090 -1.275 1.00 21.32 C ATOM 3 C MET A 1 3.231 -1.238 -1.332 1.00 34.22 C ATOM 4 O MET A 1 3.820 -1.673 -0.342 1.00 63.35 O ATOM 5 CB MET A 1 3.476 1.252 -1.335 1.00 74.41 C ATOM 6 CG MET A 1 4.103 1.444 -2.706 1.00 53.53 C ATOM 7 SD MET A 1 5.482 2.605 -2.682 1.00 25.10 S ATOM 8 CE MET A 1 5.403 3.260 -4.347 1.00 11.51 C ATOM 0 H1 MET A 1 1.010 0.975 -0.148 1.00 40.24 H new ATOM 0 H2 MET A 1 1.137 -0.705 0.060 1.00 40.24 H new ATOM 0 H3 MET A 1 2.291 0.326 0.757 1.00 40.24 H new ATOM 0 HA MET A 1 1.814 0.148 -2.134 1.00 21.32 H new ATOM 0 HB2 MET A 1 2.966 2.171 -1.046 1.00 74.41 H new ATOM 0 HB3 MET A 1 4.266 1.082 -0.604 1.00 74.41 H new ATOM 0 HG2 MET A 1 4.450 0.481 -3.081 1.00 53.53 H new ATOM 0 HG3 MET A 1 3.344 1.802 -3.402 1.00 53.53 H new ATOM 0 HE1 MET A 1 6.196 3.994 -4.487 1.00 11.51 H new ATOM 0 HE2 MET A 1 5.529 2.448 -5.064 1.00 11.51 H new ATOM 0 HE3 MET A 1 4.435 3.736 -4.505 1.00 11.51 H new ATOM 18 N LYS A 2 3.203 -1.878 -2.496 1.00 31.43 N ATOM 19 CA LYS A 2 3.879 -3.156 -2.683 1.00 23.52 C ATOM 20 C LYS A 2 4.933 -3.059 -3.781 1.00 4.51 C ATOM 21 O LYS A 2 4.797 -3.670 -4.840 1.00 53.33 O ATOM 22 CB LYS A 2 2.865 -4.248 -3.031 1.00 55.22 C ATOM 23 CG LYS A 2 1.909 -4.575 -1.896 1.00 44.24 C ATOM 24 CD LYS A 2 2.624 -5.265 -0.747 1.00 64.42 C ATOM 25 CE LYS A 2 3.090 -6.660 -1.138 1.00 0.31 C ATOM 26 NZ LYS A 2 3.411 -7.492 0.055 1.00 40.23 N ATOM 0 H LYS A 2 2.719 -1.532 -3.325 1.00 31.43 H new ATOM 0 HA LYS A 2 4.376 -3.415 -1.748 1.00 23.52 H new ATOM 0 HB2 LYS A 2 2.289 -3.933 -3.901 1.00 55.22 H new ATOM 0 HB3 LYS A 2 3.402 -5.153 -3.315 1.00 55.22 H new ATOM 0 HG2 LYS A 2 1.442 -3.658 -1.537 1.00 44.24 H new ATOM 0 HG3 LYS A 2 1.109 -5.217 -2.266 1.00 44.24 H new ATOM 0 HD2 LYS A 2 3.481 -4.667 -0.439 1.00 64.42 H new ATOM 0 HD3 LYS A 2 1.956 -5.331 0.112 1.00 64.42 H new ATOM 0 HE2 LYS A 2 2.314 -7.151 -1.725 1.00 0.31 H new ATOM 0 HE3 LYS A 2 3.971 -6.583 -1.775 1.00 0.31 H new ATOM 0 HZ1 LYS A 2 4.234 -8.093 -0.152 1.00 40.23 H new ATOM 0 HZ2 LYS A 2 3.628 -6.873 0.862 1.00 40.23 H new ATOM 0 HZ3 LYS A 2 2.595 -8.092 0.289 1.00 40.23 H new ATOM 40 N GLN A 3 5.984 -2.288 -3.519 1.00 40.44 N ATOM 41 CA GLN A 3 7.061 -2.111 -4.486 1.00 62.42 C ATOM 42 C GLN A 3 7.633 -3.459 -4.916 1.00 12.52 C ATOM 43 O GLN A 3 8.312 -4.132 -4.141 1.00 2.12 O ATOM 44 CB GLN A 3 8.169 -1.239 -3.894 1.00 24.45 C ATOM 45 CG GLN A 3 9.052 -0.581 -4.942 1.00 14.22 C ATOM 46 CD GLN A 3 10.029 0.411 -4.343 1.00 14.55 C ATOM 47 OE1 GLN A 3 9.633 1.347 -3.647 1.00 14.12 O ATOM 48 NE2 GLN A 3 11.314 0.212 -4.610 1.00 11.14 N ATOM 0 H GLN A 3 6.112 -1.776 -2.646 1.00 40.44 H new ATOM 0 HA GLN A 3 6.649 -1.614 -5.364 1.00 62.42 H new ATOM 0 HB2 GLN A 3 7.718 -0.465 -3.273 1.00 24.45 H new ATOM 0 HB3 GLN A 3 8.790 -1.850 -3.240 1.00 24.45 H new ATOM 0 HG2 GLN A 3 9.606 -1.350 -5.480 1.00 14.22 H new ATOM 0 HG3 GLN A 3 8.424 -0.071 -5.672 1.00 14.22 H new ATOM 0 HE21 GLN A 3 11.598 -0.577 -5.191 1.00 11.14 H new ATOM 0 HE22 GLN A 3 12.017 0.848 -4.234 1.00 11.14 H new ATOM 57 N VAL A 4 7.353 -3.846 -6.156 1.00 71.30 N ATOM 58 CA VAL A 4 7.840 -5.113 -6.689 1.00 52.03 C ATOM 59 C VAL A 4 8.891 -4.887 -7.770 1.00 4.54 C ATOM 60 O VAL A 4 8.716 -4.050 -8.656 1.00 42.15 O ATOM 61 CB VAL A 4 6.690 -5.954 -7.275 1.00 63.15 C ATOM 62 CG1 VAL A 4 7.224 -7.251 -7.865 1.00 0.21 C ATOM 63 CG2 VAL A 4 5.640 -6.235 -6.212 1.00 11.04 C ATOM 0 H VAL A 4 6.792 -3.301 -6.810 1.00 71.30 H new ATOM 0 HA VAL A 4 8.290 -5.655 -5.857 1.00 52.03 H new ATOM 0 HB VAL A 4 6.219 -5.385 -8.076 1.00 63.15 H new ATOM 0 HG11 VAL A 4 6.398 -7.832 -8.274 1.00 0.21 H new ATOM 0 HG12 VAL A 4 7.936 -7.024 -8.659 1.00 0.21 H new ATOM 0 HG13 VAL A 4 7.722 -7.828 -7.085 1.00 0.21 H new ATOM 0 HG21 VAL A 4 4.835 -6.830 -6.644 1.00 11.04 H new ATOM 0 HG22 VAL A 4 6.095 -6.784 -5.387 1.00 11.04 H new ATOM 0 HG23 VAL A 4 5.236 -5.293 -5.842 1.00 11.04 H new ATOM 73 N LEU A 5 9.984 -5.637 -7.690 1.00 23.41 N ATOM 74 CA LEU A 5 11.066 -5.520 -8.662 1.00 10.33 C ATOM 75 C LEU A 5 10.944 -6.588 -9.744 1.00 42.40 C ATOM 76 O LEU A 5 10.150 -7.520 -9.624 1.00 31.40 O ATOM 77 CB LEU A 5 12.421 -5.638 -7.963 1.00 23.14 C ATOM 78 CG LEU A 5 12.837 -4.447 -7.098 1.00 31.30 C ATOM 79 CD1 LEU A 5 14.217 -4.676 -6.502 1.00 62.21 C ATOM 80 CD2 LEU A 5 12.812 -3.162 -7.913 1.00 21.33 C ATOM 0 H LEU A 5 10.145 -6.333 -6.962 1.00 23.41 H new ATOM 0 HA LEU A 5 10.992 -4.541 -9.135 1.00 10.33 H new ATOM 0 HB2 LEU A 5 12.407 -6.529 -7.336 1.00 23.14 H new ATOM 0 HB3 LEU A 5 13.187 -5.794 -8.723 1.00 23.14 H new ATOM 0 HG LEU A 5 12.123 -4.349 -6.280 1.00 31.30 H new ATOM 0 HD11 LEU A 5 14.496 -3.818 -5.890 1.00 62.21 H new ATOM 0 HD12 LEU A 5 14.202 -5.574 -5.884 1.00 62.21 H new ATOM 0 HD13 LEU A 5 14.944 -4.801 -7.305 1.00 62.21 H new ATOM 0 HD21 LEU A 5 13.111 -2.325 -7.282 1.00 21.33 H new ATOM 0 HD22 LEU A 5 13.503 -3.249 -8.751 1.00 21.33 H new ATOM 0 HD23 LEU A 5 11.804 -2.990 -8.291 1.00 21.33 H new ATOM 92 N VAL A 6 11.738 -6.446 -10.800 1.00 45.54 N ATOM 93 CA VAL A 6 11.722 -7.400 -11.903 1.00 4.42 C ATOM 94 C VAL A 6 13.087 -7.483 -12.577 1.00 70.04 C ATOM 95 O VAL A 6 13.344 -6.799 -13.567 1.00 43.32 O ATOM 96 CB VAL A 6 10.664 -7.023 -12.956 1.00 15.50 C ATOM 97 CG1 VAL A 6 10.693 -8.004 -14.118 1.00 12.21 C ATOM 98 CG2 VAL A 6 9.280 -6.971 -12.325 1.00 61.33 C ATOM 0 H VAL A 6 12.401 -5.679 -10.915 1.00 45.54 H new ATOM 0 HA VAL A 6 11.470 -8.371 -11.478 1.00 4.42 H new ATOM 0 HB VAL A 6 10.899 -6.032 -13.344 1.00 15.50 H new ATOM 0 HG11 VAL A 6 9.938 -7.721 -14.852 1.00 12.21 H new ATOM 0 HG12 VAL A 6 11.678 -7.986 -14.585 1.00 12.21 H new ATOM 0 HG13 VAL A 6 10.484 -9.009 -13.751 1.00 12.21 H new ATOM 0 HG21 VAL A 6 8.544 -6.703 -13.083 1.00 61.33 H new ATOM 0 HG22 VAL A 6 9.033 -7.948 -11.909 1.00 61.33 H new ATOM 0 HG23 VAL A 6 9.270 -6.225 -11.530 1.00 61.33 H new ATOM 108 N ALA A 7 13.959 -8.327 -12.035 1.00 15.13 N ATOM 109 CA ALA A 7 15.297 -8.502 -12.586 1.00 34.25 C ATOM 110 C ALA A 7 15.423 -9.840 -13.306 1.00 74.05 C ATOM 111 O ALA A 7 15.342 -10.901 -12.685 1.00 43.54 O ATOM 112 CB ALA A 7 16.340 -8.394 -11.483 1.00 35.31 C ATOM 0 H ALA A 7 13.763 -8.900 -11.215 1.00 15.13 H new ATOM 0 HA ALA A 7 15.470 -7.709 -13.314 1.00 34.25 H new ATOM 0 HB1 ALA A 7 17.335 -8.527 -11.909 1.00 35.31 H new ATOM 0 HB2 ALA A 7 16.274 -7.412 -11.014 1.00 35.31 H new ATOM 0 HB3 ALA A 7 16.160 -9.166 -10.735 1.00 35.31 H new ATOM 118 N CYS A 8 15.620 -9.783 -14.619 1.00 34.12 N ATOM 119 CA CYS A 8 15.755 -10.991 -15.425 1.00 21.32 C ATOM 120 C CYS A 8 17.211 -11.226 -15.813 1.00 4.53 C ATOM 121 O CYS A 8 17.942 -10.284 -16.119 1.00 21.33 O ATOM 122 CB CYS A 8 14.890 -10.891 -16.682 1.00 13.34 C ATOM 123 SG CYS A 8 15.001 -12.329 -17.771 1.00 75.33 S ATOM 0 H CYS A 8 15.690 -8.913 -15.148 1.00 34.12 H new ATOM 0 HA CYS A 8 15.416 -11.836 -14.826 1.00 21.32 H new ATOM 0 HB2 CYS A 8 13.850 -10.753 -16.385 1.00 13.34 H new ATOM 0 HB3 CYS A 8 15.182 -10.002 -17.241 1.00 13.34 H new ATOM 0 HG CYS A 8 14.233 -12.151 -18.804 1.00 75.33 H new ATOM 129 N GLY A 9 17.627 -12.488 -15.796 1.00 64.41 N ATOM 130 CA GLY A 9 18.995 -12.824 -16.146 1.00 43.52 C ATOM 131 C GLY A 9 19.315 -12.514 -17.595 1.00 44.41 C ATOM 132 O GLY A 9 19.730 -11.402 -17.922 1.00 62.10 O ATOM 0 H GLY A 9 17.041 -13.285 -15.546 1.00 64.41 H new ATOM 0 HA2 GLY A 9 19.678 -12.272 -15.500 1.00 43.52 H new ATOM 0 HA3 GLY A 9 19.165 -13.884 -15.958 1.00 43.52 H new ATOM 136 N ALA A 10 19.124 -13.499 -18.466 1.00 21.43 N ATOM 137 CA ALA A 10 19.395 -13.326 -19.887 1.00 60.34 C ATOM 138 C ALA A 10 18.672 -14.382 -20.717 1.00 20.34 C ATOM 139 O ALA A 10 18.817 -15.580 -20.477 1.00 62.21 O ATOM 140 CB ALA A 10 20.893 -13.381 -20.150 1.00 12.23 C ATOM 0 H ALA A 10 18.782 -14.426 -18.212 1.00 21.43 H new ATOM 0 HA ALA A 10 19.020 -12.347 -20.186 1.00 60.34 H new ATOM 0 HB1 ALA A 10 21.080 -13.250 -21.216 1.00 12.23 H new ATOM 0 HB2 ALA A 10 21.389 -12.586 -19.594 1.00 12.23 H new ATOM 0 HB3 ALA A 10 21.284 -14.347 -19.829 1.00 12.23 H new ATOM 146 N GLY A 11 17.891 -13.929 -21.693 1.00 65.31 N ATOM 147 CA GLY A 11 17.157 -14.849 -22.542 1.00 54.52 C ATOM 148 C GLY A 11 16.720 -14.210 -23.846 1.00 31.40 C ATOM 149 O GLY A 11 17.359 -13.276 -24.332 1.00 35.41 O ATOM 0 H GLY A 11 17.754 -12.942 -21.911 1.00 65.31 H new ATOM 0 HA2 GLY A 11 17.781 -15.717 -22.757 1.00 54.52 H new ATOM 0 HA3 GLY A 11 16.280 -15.212 -22.007 1.00 54.52 H new ATOM 153 N ILE A 12 15.630 -14.716 -24.414 1.00 44.24 N ATOM 154 CA ILE A 12 15.110 -14.189 -25.670 1.00 21.01 C ATOM 155 C ILE A 12 14.001 -13.172 -25.422 1.00 4.10 C ATOM 156 O ILE A 12 13.933 -12.139 -26.087 1.00 52.11 O ATOM 157 CB ILE A 12 14.567 -15.314 -26.571 1.00 22.25 C ATOM 158 CG1 ILE A 12 15.660 -16.349 -26.846 1.00 42.23 C ATOM 159 CG2 ILE A 12 14.034 -14.739 -27.874 1.00 41.40 C ATOM 160 CD1 ILE A 12 15.683 -17.485 -25.848 1.00 12.34 C ATOM 0 H ILE A 12 15.091 -15.489 -24.025 1.00 44.24 H new ATOM 0 HA ILE A 12 15.943 -13.700 -26.176 1.00 21.01 H new ATOM 0 HB ILE A 12 13.746 -15.809 -26.053 1.00 22.25 H new ATOM 0 HG12 ILE A 12 15.518 -16.758 -27.846 1.00 42.23 H new ATOM 0 HG13 ILE A 12 16.630 -15.851 -26.840 1.00 42.23 H new ATOM 0 HG21 ILE A 12 13.654 -15.547 -28.500 1.00 41.40 H new ATOM 0 HG22 ILE A 12 13.229 -14.037 -27.659 1.00 41.40 H new ATOM 0 HG23 ILE A 12 14.837 -14.221 -28.398 1.00 41.40 H new ATOM 0 HD11 ILE A 12 16.483 -18.180 -26.106 1.00 12.34 H new ATOM 0 HD12 ILE A 12 15.856 -17.087 -24.848 1.00 12.34 H new ATOM 0 HD13 ILE A 12 14.727 -18.008 -25.870 1.00 12.34 H new ATOM 172 N ALA A 13 13.136 -13.471 -24.459 1.00 31.31 N ATOM 173 CA ALA A 13 12.032 -12.581 -24.120 1.00 23.41 C ATOM 174 C ALA A 13 12.485 -11.486 -23.161 1.00 22.05 C ATOM 175 O ALA A 13 12.947 -11.767 -22.054 1.00 14.33 O ATOM 176 CB ALA A 13 10.882 -13.373 -23.515 1.00 65.30 C ATOM 0 H ALA A 13 13.178 -14.323 -23.899 1.00 31.31 H new ATOM 0 HA ALA A 13 11.687 -12.104 -25.038 1.00 23.41 H new ATOM 0 HB1 ALA A 13 10.065 -12.696 -23.267 1.00 65.30 H new ATOM 0 HB2 ALA A 13 10.533 -14.115 -24.234 1.00 65.30 H new ATOM 0 HB3 ALA A 13 11.223 -13.877 -22.611 1.00 65.30 H new ATOM 182 N THR A 14 12.351 -10.236 -23.592 1.00 3.54 N ATOM 183 CA THR A 14 12.748 -9.098 -22.772 1.00 5.12 C ATOM 184 C THR A 14 11.811 -8.923 -21.583 1.00 13.12 C ATOM 185 O THR A 14 10.716 -9.484 -21.556 1.00 75.30 O ATOM 186 CB THR A 14 12.768 -7.794 -23.592 1.00 20.11 C ATOM 187 OG1 THR A 14 11.432 -7.414 -23.940 1.00 61.43 O ATOM 188 CG2 THR A 14 13.599 -7.962 -24.855 1.00 52.22 C ATOM 0 H THR A 14 11.970 -9.986 -24.505 1.00 3.54 H new ATOM 0 HA THR A 14 13.755 -9.306 -22.410 1.00 5.12 H new ATOM 0 HB THR A 14 13.220 -7.013 -22.981 1.00 20.11 H new ATOM 0 HG1 THR A 14 11.107 -6.742 -23.305 1.00 61.43 H new ATOM 0 HG21 THR A 14 13.598 -7.028 -25.418 1.00 52.22 H new ATOM 0 HG22 THR A 14 14.622 -8.223 -24.585 1.00 52.22 H new ATOM 0 HG23 THR A 14 13.172 -8.756 -25.468 1.00 52.22 H new ATOM 196 N SER A 15 12.247 -8.140 -20.601 1.00 60.30 N ATOM 197 CA SER A 15 11.447 -7.894 -19.407 1.00 50.11 C ATOM 198 C SER A 15 10.417 -6.797 -19.660 1.00 70.21 C ATOM 199 O SER A 15 10.528 -5.690 -19.132 1.00 32.21 O ATOM 200 CB SER A 15 12.349 -7.502 -18.235 1.00 52.31 C ATOM 201 OG SER A 15 12.988 -6.260 -18.477 1.00 24.51 O ATOM 0 H SER A 15 13.150 -7.665 -20.609 1.00 60.30 H new ATOM 0 HA SER A 15 10.919 -8.814 -19.158 1.00 50.11 H new ATOM 0 HB2 SER A 15 11.757 -7.438 -17.322 1.00 52.31 H new ATOM 0 HB3 SER A 15 13.100 -8.276 -18.075 1.00 52.31 H new ATOM 0 HG SER A 15 12.316 -5.586 -18.709 1.00 24.51 H new ATOM 207 N THR A 16 9.413 -7.113 -20.473 1.00 3.30 N ATOM 208 CA THR A 16 8.363 -6.156 -20.798 1.00 45.43 C ATOM 209 C THR A 16 6.988 -6.812 -20.756 1.00 65.43 C ATOM 210 O THR A 16 6.048 -6.270 -20.176 1.00 72.30 O ATOM 211 CB THR A 16 8.581 -5.535 -22.191 1.00 41.11 C ATOM 212 OG1 THR A 16 9.982 -5.456 -22.479 1.00 34.11 O ATOM 213 CG2 THR A 16 7.964 -4.147 -22.267 1.00 54.33 C ATOM 0 H THR A 16 9.305 -8.024 -20.918 1.00 3.30 H new ATOM 0 HA THR A 16 8.409 -5.369 -20.046 1.00 45.43 H new ATOM 0 HB THR A 16 8.094 -6.173 -22.929 1.00 41.11 H new ATOM 0 HG1 THR A 16 10.112 -5.062 -23.367 1.00 34.11 H new ATOM 0 HG21 THR A 16 8.131 -3.729 -23.260 1.00 54.33 H new ATOM 0 HG22 THR A 16 6.893 -4.214 -22.077 1.00 54.33 H new ATOM 0 HG23 THR A 16 8.426 -3.502 -21.519 1.00 54.33 H new ATOM 221 N VAL A 17 6.878 -7.984 -21.375 1.00 2.13 N ATOM 222 CA VAL A 17 5.618 -8.716 -21.406 1.00 73.03 C ATOM 223 C VAL A 17 5.041 -8.879 -20.004 1.00 44.23 C ATOM 224 O VAL A 17 3.848 -8.671 -19.784 1.00 22.12 O ATOM 225 CB VAL A 17 5.793 -10.108 -22.042 1.00 52.13 C ATOM 226 CG1 VAL A 17 4.476 -10.870 -22.031 1.00 44.20 C ATOM 227 CG2 VAL A 17 6.333 -9.982 -23.459 1.00 3.23 C ATOM 0 H VAL A 17 7.646 -8.446 -21.861 1.00 2.13 H new ATOM 0 HA VAL A 17 4.928 -8.131 -22.014 1.00 73.03 H new ATOM 0 HB VAL A 17 6.516 -10.670 -21.450 1.00 52.13 H new ATOM 0 HG11 VAL A 17 4.619 -11.851 -22.484 1.00 44.20 H new ATOM 0 HG12 VAL A 17 4.135 -10.992 -21.003 1.00 44.20 H new ATOM 0 HG13 VAL A 17 3.729 -10.314 -22.598 1.00 44.20 H new ATOM 0 HG21 VAL A 17 6.451 -10.975 -23.893 1.00 3.23 H new ATOM 0 HG22 VAL A 17 5.636 -9.402 -24.064 1.00 3.23 H new ATOM 0 HG23 VAL A 17 7.300 -9.479 -23.437 1.00 3.23 H new ATOM 237 N VAL A 18 5.897 -9.252 -19.058 1.00 45.42 N ATOM 238 CA VAL A 18 5.474 -9.441 -17.676 1.00 3.02 C ATOM 239 C VAL A 18 4.815 -8.181 -17.125 1.00 70.35 C ATOM 240 O VAL A 18 3.612 -8.159 -16.870 1.00 31.53 O ATOM 241 CB VAL A 18 6.662 -9.822 -16.772 1.00 61.14 C ATOM 242 CG1 VAL A 18 6.181 -10.149 -15.367 1.00 72.20 C ATOM 243 CG2 VAL A 18 7.430 -10.993 -17.368 1.00 13.31 C ATOM 0 H VAL A 18 6.888 -9.429 -19.224 1.00 45.42 H new ATOM 0 HA VAL A 18 4.750 -10.256 -17.676 1.00 3.02 H new ATOM 0 HB VAL A 18 7.337 -8.968 -16.709 1.00 61.14 H new ATOM 0 HG11 VAL A 18 7.034 -10.416 -14.743 1.00 72.20 H new ATOM 0 HG12 VAL A 18 5.679 -9.279 -14.943 1.00 72.20 H new ATOM 0 HG13 VAL A 18 5.485 -10.987 -15.407 1.00 72.20 H new ATOM 0 HG21 VAL A 18 8.266 -11.249 -16.717 1.00 13.31 H new ATOM 0 HG22 VAL A 18 6.767 -11.853 -17.462 1.00 13.31 H new ATOM 0 HG23 VAL A 18 7.808 -10.717 -18.352 1.00 13.31 H new ATOM 253 N ASN A 19 5.612 -7.133 -16.946 1.00 61.01 N ATOM 254 CA ASN A 19 5.106 -5.868 -16.426 1.00 32.23 C ATOM 255 C ASN A 19 3.887 -5.403 -17.217 1.00 43.02 C ATOM 256 O ASN A 19 2.892 -4.963 -16.643 1.00 22.53 O ATOM 257 CB ASN A 19 6.199 -4.799 -16.475 1.00 13.51 C ATOM 258 CG ASN A 19 5.644 -3.397 -16.305 1.00 63.20 C ATOM 259 OD1 ASN A 19 4.871 -3.131 -15.385 1.00 73.10 O ATOM 260 ND2 ASN A 19 6.038 -2.493 -17.194 1.00 64.45 N ATOM 0 H ASN A 19 6.611 -7.135 -17.153 1.00 61.01 H new ATOM 0 HA ASN A 19 4.806 -6.024 -15.390 1.00 32.23 H new ATOM 0 HB2 ASN A 19 6.931 -4.995 -15.691 1.00 13.51 H new ATOM 0 HB3 ASN A 19 6.726 -4.865 -17.427 1.00 13.51 H new ATOM 0 HD21 ASN A 19 5.698 -1.533 -17.130 1.00 64.45 H new ATOM 0 HD22 ASN A 19 6.680 -2.758 -17.941 1.00 64.45 H new ATOM 267 N ASN A 20 3.974 -5.504 -18.540 1.00 13.04 N ATOM 268 CA ASN A 20 2.878 -5.094 -19.411 1.00 3.33 C ATOM 269 C ASN A 20 1.589 -5.824 -19.044 1.00 45.54 C ATOM 270 O ASN A 20 0.492 -5.297 -19.227 1.00 45.31 O ATOM 271 CB ASN A 20 3.233 -5.366 -20.874 1.00 4.41 C ATOM 272 CG ASN A 20 3.958 -4.200 -21.519 1.00 25.30 C ATOM 273 OD1 ASN A 20 5.041 -3.756 -20.890 1.00 64.00 O flip ATOM 274 ND2 ASN A 20 3.550 -3.706 -22.570 1.00 54.04 N flip ATOM 0 H ASN A 20 4.791 -5.866 -19.032 1.00 13.04 H new ATOM 0 HA ASN A 20 2.720 -4.024 -19.275 1.00 3.33 H new ATOM 0 HB2 ASN A 20 3.858 -6.257 -20.934 1.00 4.41 H new ATOM 0 HB3 ASN A 20 2.322 -5.578 -21.433 1.00 4.41 H new ATOM 0 HD21 ASN A 20 2.713 -4.080 -23.018 1.00 54.04 H new ATOM 0 HD22 ASN A 20 4.049 -2.923 -22.993 1.00 54.04 H new ATOM 281 N ALA A 21 1.731 -7.039 -18.526 1.00 61.11 N ATOM 282 CA ALA A 21 0.579 -7.840 -18.132 1.00 21.34 C ATOM 283 C ALA A 21 0.137 -7.504 -16.711 1.00 62.33 C ATOM 284 O ALA A 21 -1.033 -7.208 -16.469 1.00 51.44 O ATOM 285 CB ALA A 21 0.902 -9.322 -18.249 1.00 71.52 C ATOM 0 H ALA A 21 2.632 -7.490 -18.369 1.00 61.11 H new ATOM 0 HA ALA A 21 -0.244 -7.604 -18.806 1.00 21.34 H new ATOM 0 HB1 ALA A 21 0.033 -9.908 -17.952 1.00 71.52 H new ATOM 0 HB2 ALA A 21 1.163 -9.557 -19.281 1.00 71.52 H new ATOM 0 HB3 ALA A 21 1.742 -9.564 -17.598 1.00 71.52 H new ATOM 291 N ILE A 22 1.080 -7.554 -15.776 1.00 52.52 N ATOM 292 CA ILE A 22 0.787 -7.254 -14.380 1.00 54.22 C ATOM 293 C ILE A 22 0.200 -5.854 -14.230 1.00 34.41 C ATOM 294 O ILE A 22 -0.639 -5.613 -13.363 1.00 34.01 O ATOM 295 CB ILE A 22 2.048 -7.366 -13.503 1.00 72.13 C ATOM 296 CG1 ILE A 22 2.723 -8.722 -13.715 1.00 65.50 C ATOM 297 CG2 ILE A 22 1.693 -7.168 -12.037 1.00 71.12 C ATOM 298 CD1 ILE A 22 1.818 -9.900 -13.429 1.00 52.14 C ATOM 0 H ILE A 22 2.053 -7.799 -15.960 1.00 52.52 H new ATOM 0 HA ILE A 22 0.056 -7.990 -14.046 1.00 54.22 H new ATOM 0 HB ILE A 22 2.748 -6.583 -13.796 1.00 72.13 H new ATOM 0 HG12 ILE A 22 3.075 -8.786 -14.745 1.00 65.50 H new ATOM 0 HG13 ILE A 22 3.602 -8.785 -13.073 1.00 65.50 H new ATOM 0 HG21 ILE A 22 2.595 -7.250 -11.430 1.00 71.12 H new ATOM 0 HG22 ILE A 22 1.252 -6.181 -11.900 1.00 71.12 H new ATOM 0 HG23 ILE A 22 0.978 -7.931 -11.730 1.00 71.12 H new ATOM 0 HD11 ILE A 22 2.364 -10.828 -13.600 1.00 52.14 H new ATOM 0 HD12 ILE A 22 1.486 -9.860 -12.391 1.00 52.14 H new ATOM 0 HD13 ILE A 22 0.951 -9.862 -14.089 1.00 52.14 H new ATOM 310 N GLU A 23 0.646 -4.937 -15.082 1.00 11.31 N ATOM 311 CA GLU A 23 0.163 -3.561 -15.044 1.00 24.21 C ATOM 312 C GLU A 23 -1.260 -3.469 -15.586 1.00 42.34 C ATOM 313 O GLU A 23 -2.005 -2.550 -15.247 1.00 72.34 O ATOM 314 CB GLU A 23 1.089 -2.650 -15.852 1.00 44.13 C ATOM 315 CG GLU A 23 0.926 -2.796 -17.356 1.00 2.01 C ATOM 316 CD GLU A 23 1.816 -1.846 -18.134 1.00 73.12 C ATOM 317 OE1 GLU A 23 1.472 -1.523 -19.290 1.00 72.44 O ATOM 318 OE2 GLU A 23 2.856 -1.425 -17.586 1.00 60.21 O ATOM 0 H GLU A 23 1.340 -5.121 -15.806 1.00 11.31 H new ATOM 0 HA GLU A 23 0.159 -3.233 -14.005 1.00 24.21 H new ATOM 0 HB2 GLU A 23 0.899 -1.614 -15.573 1.00 44.13 H new ATOM 0 HB3 GLU A 23 2.123 -2.867 -15.584 1.00 44.13 H new ATOM 0 HG2 GLU A 23 1.156 -3.822 -17.645 1.00 2.01 H new ATOM 0 HG3 GLU A 23 -0.115 -2.615 -17.624 1.00 2.01 H new ATOM 325 N GLU A 24 -1.628 -4.427 -16.431 1.00 54.22 N ATOM 326 CA GLU A 24 -2.961 -4.452 -17.022 1.00 34.33 C ATOM 327 C GLU A 24 -3.986 -4.992 -16.028 1.00 54.41 C ATOM 328 O GLU A 24 -5.115 -4.505 -15.959 1.00 24.21 O ATOM 329 CB GLU A 24 -2.965 -5.308 -18.290 1.00 71.12 C ATOM 330 CG GLU A 24 -2.308 -4.632 -19.482 1.00 72.51 C ATOM 331 CD GLU A 24 -3.289 -3.823 -20.308 1.00 33.13 C ATOM 332 OE1 GLU A 24 -3.856 -2.849 -19.770 1.00 71.11 O ATOM 333 OE2 GLU A 24 -3.490 -4.164 -21.492 1.00 63.24 O ATOM 0 H GLU A 24 -1.023 -5.195 -16.721 1.00 54.22 H new ATOM 0 HA GLU A 24 -3.235 -3.429 -17.282 1.00 34.33 H new ATOM 0 HB2 GLU A 24 -2.450 -6.247 -18.086 1.00 71.12 H new ATOM 0 HB3 GLU A 24 -3.994 -5.558 -18.546 1.00 71.12 H new ATOM 0 HG2 GLU A 24 -1.510 -3.978 -19.130 1.00 72.51 H new ATOM 0 HG3 GLU A 24 -1.844 -5.389 -20.114 1.00 72.51 H new ATOM 340 N MET A 25 -3.585 -6.000 -15.261 1.00 63.14 N ATOM 341 CA MET A 25 -4.468 -6.606 -14.271 1.00 44.52 C ATOM 342 C MET A 25 -4.458 -5.805 -12.973 1.00 22.34 C ATOM 343 O MET A 25 -5.486 -5.665 -12.311 1.00 70.42 O ATOM 344 CB MET A 25 -4.047 -8.050 -13.997 1.00 24.53 C ATOM 345 CG MET A 25 -2.713 -8.169 -13.277 1.00 10.53 C ATOM 346 SD MET A 25 -2.898 -8.296 -11.488 1.00 14.43 S ATOM 347 CE MET A 25 -1.257 -7.829 -10.943 1.00 61.53 C ATOM 0 H MET A 25 -2.654 -6.415 -15.306 1.00 63.14 H new ATOM 0 HA MET A 25 -5.481 -6.602 -14.672 1.00 44.52 H new ATOM 0 HB2 MET A 25 -4.818 -8.537 -13.399 1.00 24.53 H new ATOM 0 HB3 MET A 25 -3.989 -8.588 -14.943 1.00 24.53 H new ATOM 0 HG2 MET A 25 -2.182 -9.046 -13.647 1.00 10.53 H new ATOM 0 HG3 MET A 25 -2.098 -7.301 -13.514 1.00 10.53 H new ATOM 0 HE1 MET A 25 -1.322 -7.335 -9.974 1.00 61.53 H new ATOM 0 HE2 MET A 25 -0.636 -8.720 -10.855 1.00 61.53 H new ATOM 0 HE3 MET A 25 -0.813 -7.147 -11.668 1.00 61.53 H new ATOM 357 N ALA A 26 -3.290 -5.283 -12.614 1.00 2.34 N ATOM 358 CA ALA A 26 -3.147 -4.495 -11.395 1.00 73.42 C ATOM 359 C ALA A 26 -4.087 -3.294 -11.405 1.00 23.11 C ATOM 360 O ALA A 26 -4.726 -2.985 -10.399 1.00 52.43 O ATOM 361 CB ALA A 26 -1.706 -4.039 -11.227 1.00 64.12 C ATOM 0 H ALA A 26 -2.429 -5.391 -13.150 1.00 2.34 H new ATOM 0 HA ALA A 26 -3.417 -5.127 -10.549 1.00 73.42 H new ATOM 0 HB1 ALA A 26 -1.614 -3.452 -10.313 1.00 64.12 H new ATOM 0 HB2 ALA A 26 -1.054 -4.910 -11.166 1.00 64.12 H new ATOM 0 HB3 ALA A 26 -1.416 -3.428 -12.082 1.00 64.12 H new ATOM 367 N LYS A 27 -4.165 -2.619 -12.547 1.00 31.51 N ATOM 368 CA LYS A 27 -5.027 -1.452 -12.689 1.00 3.24 C ATOM 369 C LYS A 27 -6.495 -1.838 -12.542 1.00 70.04 C ATOM 370 O LYS A 27 -7.305 -1.056 -12.046 1.00 41.10 O ATOM 371 CB LYS A 27 -4.797 -0.784 -14.047 1.00 24.55 C ATOM 372 CG LYS A 27 -5.061 -1.702 -15.228 1.00 13.03 C ATOM 373 CD LYS A 27 -5.020 -0.943 -16.543 1.00 61.15 C ATOM 374 CE LYS A 27 -6.293 -0.141 -16.765 1.00 31.04 C ATOM 375 NZ LYS A 27 -6.044 1.083 -17.575 1.00 2.21 N ATOM 0 H LYS A 27 -3.641 -2.861 -13.388 1.00 31.51 H new ATOM 0 HA LYS A 27 -4.774 -0.747 -11.897 1.00 3.24 H new ATOM 0 HB2 LYS A 27 -5.442 0.091 -14.126 1.00 24.55 H new ATOM 0 HB3 LYS A 27 -3.768 -0.427 -14.098 1.00 24.55 H new ATOM 0 HG2 LYS A 27 -4.318 -2.499 -15.244 1.00 13.03 H new ATOM 0 HG3 LYS A 27 -6.035 -2.176 -15.111 1.00 13.03 H new ATOM 0 HD2 LYS A 27 -4.161 -0.272 -16.550 1.00 61.15 H new ATOM 0 HD3 LYS A 27 -4.883 -1.645 -17.365 1.00 61.15 H new ATOM 0 HE2 LYS A 27 -7.032 -0.765 -17.268 1.00 31.04 H new ATOM 0 HE3 LYS A 27 -6.717 0.141 -15.801 1.00 31.04 H new ATOM 0 HZ1 LYS A 27 -6.936 1.602 -17.704 1.00 2.21 H new ATOM 0 HZ2 LYS A 27 -5.358 1.691 -17.084 1.00 2.21 H new ATOM 0 HZ3 LYS A 27 -5.664 0.813 -18.504 1.00 2.21 H new ATOM 389 N GLU A 28 -6.830 -3.049 -12.977 1.00 21.14 N ATOM 390 CA GLU A 28 -8.201 -3.538 -12.893 1.00 11.23 C ATOM 391 C GLU A 28 -8.574 -3.866 -11.450 1.00 33.11 C ATOM 392 O GLU A 28 -9.713 -3.661 -11.029 1.00 53.32 O ATOM 393 CB GLU A 28 -8.379 -4.778 -13.772 1.00 0.53 C ATOM 394 CG GLU A 28 -9.815 -5.011 -14.212 1.00 5.05 C ATOM 395 CD GLU A 28 -10.270 -4.021 -15.266 1.00 61.01 C ATOM 396 OE1 GLU A 28 -9.415 -3.277 -15.790 1.00 54.42 O ATOM 397 OE2 GLU A 28 -11.482 -3.991 -15.567 1.00 63.52 O ATOM 0 H GLU A 28 -6.171 -3.709 -13.391 1.00 21.14 H new ATOM 0 HA GLU A 28 -8.863 -2.750 -13.251 1.00 11.23 H new ATOM 0 HB2 GLU A 28 -7.748 -4.680 -14.656 1.00 0.53 H new ATOM 0 HB3 GLU A 28 -8.029 -5.654 -13.226 1.00 0.53 H new ATOM 0 HG2 GLU A 28 -9.911 -6.023 -14.604 1.00 5.05 H new ATOM 0 HG3 GLU A 28 -10.472 -4.941 -13.345 1.00 5.05 H new ATOM 404 N HIS A 29 -7.606 -4.378 -10.696 1.00 74.33 N ATOM 405 CA HIS A 29 -7.832 -4.736 -9.300 1.00 53.53 C ATOM 406 C HIS A 29 -7.793 -3.497 -8.410 1.00 34.45 C ATOM 407 O HIS A 29 -8.427 -3.459 -7.356 1.00 30.32 O ATOM 408 CB HIS A 29 -6.784 -5.746 -8.835 1.00 21.35 C ATOM 409 CG HIS A 29 -7.007 -7.129 -9.367 1.00 3.54 C ATOM 410 ND1 HIS A 29 -8.005 -7.961 -8.905 1.00 43.24 N ATOM 411 CD2 HIS A 29 -6.354 -7.823 -10.328 1.00 52.10 C ATOM 412 CE1 HIS A 29 -7.955 -9.108 -9.559 1.00 14.12 C ATOM 413 NE2 HIS A 29 -6.963 -9.050 -10.428 1.00 42.23 N ATOM 0 H HIS A 29 -6.658 -4.554 -11.028 1.00 74.33 H new ATOM 0 HA HIS A 29 -8.821 -5.188 -9.221 1.00 53.53 H new ATOM 0 HB2 HIS A 29 -5.797 -5.401 -9.144 1.00 21.35 H new ATOM 0 HB3 HIS A 29 -6.783 -5.780 -7.746 1.00 21.35 H new ATOM 0 HD2 HIS A 29 -5.511 -7.477 -10.908 1.00 52.10 H new ATOM 0 HE1 HIS A 29 -8.614 -9.950 -9.408 1.00 14.12 H new ATOM 0 HE2 HIS A 29 -6.693 -9.795 -11.070 1.00 42.23 H new ATOM 421 N ASN A 30 -7.045 -2.487 -8.841 1.00 23.54 N ATOM 422 CA ASN A 30 -6.922 -1.248 -8.081 1.00 72.42 C ATOM 423 C ASN A 30 -6.204 -1.491 -6.757 1.00 41.42 C ATOM 424 O ASN A 30 -6.640 -1.017 -5.707 1.00 43.25 O ATOM 425 CB ASN A 30 -8.305 -0.646 -7.822 1.00 25.13 C ATOM 426 CG ASN A 30 -9.288 -0.957 -8.933 1.00 55.20 C ATOM 427 OD1 ASN A 30 -10.218 -1.743 -8.752 1.00 71.52 O ATOM 428 ND2 ASN A 30 -9.087 -0.339 -10.091 1.00 54.20 N ATOM 0 H ASN A 30 -6.515 -2.502 -9.712 1.00 23.54 H new ATOM 0 HA ASN A 30 -6.332 -0.546 -8.670 1.00 72.42 H new ATOM 0 HB2 ASN A 30 -8.694 -1.029 -6.879 1.00 25.13 H new ATOM 0 HB3 ASN A 30 -8.213 0.435 -7.714 1.00 25.13 H new ATOM 0 HD21 ASN A 30 -9.717 -0.508 -10.875 1.00 54.20 H new ATOM 0 HD22 ASN A 30 -8.303 0.305 -10.196 1.00 54.20 H new ATOM 435 N ILE A 31 -5.102 -2.230 -6.815 1.00 64.11 N ATOM 436 CA ILE A 31 -4.322 -2.533 -5.621 1.00 72.53 C ATOM 437 C ILE A 31 -3.110 -1.616 -5.509 1.00 4.25 C ATOM 438 O ILE A 31 -2.643 -1.059 -6.503 1.00 35.11 O ATOM 439 CB ILE A 31 -3.846 -3.998 -5.617 1.00 62.01 C ATOM 440 CG1 ILE A 31 -4.996 -4.933 -5.996 1.00 54.44 C ATOM 441 CG2 ILE A 31 -3.283 -4.368 -4.253 1.00 34.13 C ATOM 442 CD1 ILE A 31 -4.582 -6.382 -6.120 1.00 62.03 C ATOM 0 H ILE A 31 -4.729 -2.630 -7.676 1.00 64.11 H new ATOM 0 HA ILE A 31 -4.978 -2.370 -4.766 1.00 72.53 H new ATOM 0 HB ILE A 31 -3.054 -4.109 -6.358 1.00 62.01 H new ATOM 0 HG12 ILE A 31 -5.782 -4.851 -5.245 1.00 54.44 H new ATOM 0 HG13 ILE A 31 -5.424 -4.604 -6.943 1.00 54.44 H new ATOM 0 HG21 ILE A 31 -2.951 -5.406 -4.266 1.00 34.13 H new ATOM 0 HG22 ILE A 31 -2.438 -3.720 -4.020 1.00 34.13 H new ATOM 0 HG23 ILE A 31 -4.056 -4.244 -3.494 1.00 34.13 H new ATOM 0 HD11 ILE A 31 -5.448 -6.986 -6.391 1.00 62.03 H new ATOM 0 HD12 ILE A 31 -3.818 -6.477 -6.891 1.00 62.03 H new ATOM 0 HD13 ILE A 31 -4.181 -6.729 -5.167 1.00 62.03 H new ATOM 454 N LYS A 32 -2.601 -1.463 -4.290 1.00 71.45 N ATOM 455 CA LYS A 32 -1.440 -0.616 -4.046 1.00 60.01 C ATOM 456 C LYS A 32 -0.156 -1.312 -4.487 1.00 11.13 C ATOM 457 O LYS A 32 0.744 -1.544 -3.680 1.00 23.11 O ATOM 458 CB LYS A 32 -1.352 -0.252 -2.562 1.00 41.13 C ATOM 459 CG LYS A 32 -1.292 -1.459 -1.642 1.00 40.03 C ATOM 460 CD LYS A 32 -2.206 -1.290 -0.440 1.00 5.40 C ATOM 461 CE LYS A 32 -1.790 -2.197 0.708 1.00 71.12 C ATOM 462 NZ LYS A 32 -2.655 -2.008 1.905 1.00 1.03 N ATOM 0 H LYS A 32 -2.975 -1.915 -3.456 1.00 71.45 H new ATOM 0 HA LYS A 32 -1.557 0.296 -4.631 1.00 60.01 H new ATOM 0 HB2 LYS A 32 -0.467 0.363 -2.399 1.00 41.13 H new ATOM 0 HB3 LYS A 32 -2.216 0.356 -2.294 1.00 41.13 H new ATOM 0 HG2 LYS A 32 -1.578 -2.354 -2.195 1.00 40.03 H new ATOM 0 HG3 LYS A 32 -0.267 -1.608 -1.303 1.00 40.03 H new ATOM 0 HD2 LYS A 32 -2.187 -0.251 -0.110 1.00 5.40 H new ATOM 0 HD3 LYS A 32 -3.233 -1.514 -0.728 1.00 5.40 H new ATOM 0 HE2 LYS A 32 -1.839 -3.237 0.385 1.00 71.12 H new ATOM 0 HE3 LYS A 32 -0.753 -1.994 0.974 1.00 71.12 H new ATOM 0 HZ1 LYS A 32 -2.339 -2.644 2.665 1.00 1.03 H new ATOM 0 HZ2 LYS A 32 -2.589 -1.022 2.229 1.00 1.03 H new ATOM 0 HZ3 LYS A 32 -3.641 -2.226 1.658 1.00 1.03 H new ATOM 476 N VAL A 33 -0.078 -1.641 -5.772 1.00 61.22 N ATOM 477 CA VAL A 33 1.097 -2.308 -6.320 1.00 60.05 C ATOM 478 C VAL A 33 1.831 -1.406 -7.306 1.00 51.03 C ATOM 479 O VAL A 33 1.215 -0.790 -8.177 1.00 24.12 O ATOM 480 CB VAL A 33 0.717 -3.622 -7.029 1.00 22.15 C ATOM 481 CG1 VAL A 33 -0.167 -3.343 -8.234 1.00 54.00 C ATOM 482 CG2 VAL A 33 1.967 -4.386 -7.439 1.00 40.14 C ATOM 0 H VAL A 33 -0.814 -1.457 -6.453 1.00 61.22 H new ATOM 0 HA VAL A 33 1.754 -2.534 -5.480 1.00 60.05 H new ATOM 0 HB VAL A 33 0.153 -4.241 -6.331 1.00 22.15 H new ATOM 0 HG11 VAL A 33 -0.425 -4.283 -8.722 1.00 54.00 H new ATOM 0 HG12 VAL A 33 -1.078 -2.841 -7.908 1.00 54.00 H new ATOM 0 HG13 VAL A 33 0.367 -2.704 -8.937 1.00 54.00 H new ATOM 0 HG21 VAL A 33 1.680 -5.312 -7.938 1.00 40.14 H new ATOM 0 HG22 VAL A 33 2.560 -3.775 -8.120 1.00 40.14 H new ATOM 0 HG23 VAL A 33 2.558 -4.620 -6.553 1.00 40.14 H new ATOM 492 N ASP A 34 3.150 -1.333 -7.164 1.00 74.21 N ATOM 493 CA ASP A 34 3.969 -0.507 -8.043 1.00 60.35 C ATOM 494 C ASP A 34 5.028 -1.349 -8.748 1.00 44.01 C ATOM 495 O ASP A 34 6.109 -1.585 -8.206 1.00 53.05 O ATOM 496 CB ASP A 34 4.638 0.615 -7.248 1.00 34.23 C ATOM 497 CG ASP A 34 5.256 1.670 -8.143 1.00 4.21 C ATOM 498 OD1 ASP A 34 6.493 1.837 -8.096 1.00 31.22 O ATOM 499 OD2 ASP A 34 4.504 2.330 -8.890 1.00 51.32 O ATOM 0 H ASP A 34 3.675 -1.836 -6.448 1.00 74.21 H new ATOM 0 HA ASP A 34 3.318 -0.067 -8.798 1.00 60.35 H new ATOM 0 HB2 ASP A 34 3.901 1.083 -6.595 1.00 34.23 H new ATOM 0 HB3 ASP A 34 5.409 0.191 -6.605 1.00 34.23 H new ATOM 504 N ILE A 35 4.711 -1.799 -9.957 1.00 72.51 N ATOM 505 CA ILE A 35 5.635 -2.615 -10.735 1.00 43.31 C ATOM 506 C ILE A 35 6.930 -1.860 -11.017 1.00 62.20 C ATOM 507 O ILE A 35 6.913 -0.668 -11.325 1.00 21.24 O ATOM 508 CB ILE A 35 5.010 -3.055 -12.072 1.00 33.34 C ATOM 509 CG1 ILE A 35 3.679 -3.769 -11.826 1.00 30.50 C ATOM 510 CG2 ILE A 35 5.969 -3.958 -12.833 1.00 53.24 C ATOM 511 CD1 ILE A 35 2.878 -4.005 -13.087 1.00 52.12 C ATOM 0 H ILE A 35 3.821 -1.612 -10.419 1.00 72.51 H new ATOM 0 HA ILE A 35 5.854 -3.500 -10.138 1.00 43.31 H new ATOM 0 HB ILE A 35 4.819 -2.169 -12.677 1.00 33.34 H new ATOM 0 HG12 ILE A 35 3.874 -4.727 -11.344 1.00 30.50 H new ATOM 0 HG13 ILE A 35 3.082 -3.178 -11.131 1.00 30.50 H new ATOM 0 HG21 ILE A 35 5.513 -4.261 -13.776 1.00 53.24 H new ATOM 0 HG22 ILE A 35 6.894 -3.418 -13.034 1.00 53.24 H new ATOM 0 HG23 ILE A 35 6.188 -4.843 -12.235 1.00 53.24 H new ATOM 0 HD11 ILE A 35 1.948 -4.515 -12.837 1.00 52.12 H new ATOM 0 HD12 ILE A 35 2.652 -3.049 -13.559 1.00 52.12 H new ATOM 0 HD13 ILE A 35 3.456 -4.622 -13.775 1.00 52.12 H new ATOM 523 N LYS A 36 8.053 -2.563 -10.912 1.00 11.01 N ATOM 524 CA LYS A 36 9.358 -1.962 -11.158 1.00 42.03 C ATOM 525 C LYS A 36 10.334 -2.991 -11.719 1.00 61.52 C ATOM 526 O LYS A 36 10.312 -4.158 -11.327 1.00 50.24 O ATOM 527 CB LYS A 36 9.919 -1.363 -9.866 1.00 70.14 C ATOM 528 CG LYS A 36 9.751 0.143 -9.771 1.00 53.43 C ATOM 529 CD LYS A 36 10.241 0.676 -8.435 1.00 53.02 C ATOM 530 CE LYS A 36 11.696 1.111 -8.509 1.00 2.44 C ATOM 531 NZ LYS A 36 12.628 -0.042 -8.367 1.00 11.42 N ATOM 0 H LYS A 36 8.085 -3.550 -10.658 1.00 11.01 H new ATOM 0 HA LYS A 36 9.231 -1.168 -11.894 1.00 42.03 H new ATOM 0 HB2 LYS A 36 9.424 -1.830 -9.014 1.00 70.14 H new ATOM 0 HB3 LYS A 36 10.979 -1.607 -9.792 1.00 70.14 H new ATOM 0 HG2 LYS A 36 10.302 0.623 -10.579 1.00 53.43 H new ATOM 0 HG3 LYS A 36 8.701 0.402 -9.904 1.00 53.43 H new ATOM 0 HD2 LYS A 36 9.623 1.520 -8.130 1.00 53.02 H new ATOM 0 HD3 LYS A 36 10.129 -0.094 -7.672 1.00 53.02 H new ATOM 0 HE2 LYS A 36 11.878 1.610 -9.461 1.00 2.44 H new ATOM 0 HE3 LYS A 36 11.898 1.840 -7.724 1.00 2.44 H new ATOM 0 HZ1 LYS A 36 13.567 0.304 -8.085 1.00 11.42 H new ATOM 0 HZ2 LYS A 36 12.266 -0.693 -7.641 1.00 11.42 H new ATOM 0 HZ3 LYS A 36 12.702 -0.543 -9.276 1.00 11.42 H new ATOM 545 N GLN A 37 11.189 -2.551 -12.637 1.00 21.34 N ATOM 546 CA GLN A 37 12.173 -3.436 -13.250 1.00 0.51 C ATOM 547 C GLN A 37 13.580 -2.863 -13.113 1.00 52.41 C ATOM 548 O GLN A 37 13.835 -1.721 -13.497 1.00 44.03 O ATOM 549 CB GLN A 37 11.841 -3.657 -14.727 1.00 11.34 C ATOM 550 CG GLN A 37 10.356 -3.843 -14.995 1.00 2.50 C ATOM 551 CD GLN A 37 10.075 -4.340 -16.399 1.00 72.20 C ATOM 552 OE1 GLN A 37 9.293 -5.409 -16.503 1.00 13.13 O flip ATOM 553 NE2 GLN A 37 10.555 -3.771 -17.380 1.00 42.31 N flip ATOM 0 H GLN A 37 11.220 -1.588 -12.972 1.00 21.34 H new ATOM 0 HA GLN A 37 12.138 -4.393 -12.730 1.00 0.51 H new ATOM 0 HB2 GLN A 37 12.202 -2.805 -15.303 1.00 11.34 H new ATOM 0 HB3 GLN A 37 12.379 -4.535 -15.084 1.00 11.34 H new ATOM 0 HG2 GLN A 37 9.946 -4.551 -14.274 1.00 2.50 H new ATOM 0 HG3 GLN A 37 9.841 -2.895 -14.839 1.00 2.50 H new ATOM 0 HE21 GLN A 37 11.151 -2.953 -17.254 1.00 42.31 H new ATOM 0 HE22 GLN A 37 10.357 -4.118 -18.318 1.00 42.31 H new ATOM 562 N ILE A 38 14.488 -3.662 -12.564 1.00 11.14 N ATOM 563 CA ILE A 38 15.869 -3.234 -12.377 1.00 52.02 C ATOM 564 C ILE A 38 16.839 -4.384 -12.626 1.00 10.14 C ATOM 565 O ILE A 38 16.434 -5.542 -12.728 1.00 53.02 O ATOM 566 CB ILE A 38 16.100 -2.680 -10.959 1.00 52.51 C ATOM 567 CG1 ILE A 38 16.334 -3.825 -9.972 1.00 45.11 C ATOM 568 CG2 ILE A 38 14.915 -1.831 -10.523 1.00 33.35 C ATOM 569 CD1 ILE A 38 15.224 -4.852 -9.963 1.00 51.11 C ATOM 0 H ILE A 38 14.293 -4.609 -12.241 1.00 11.14 H new ATOM 0 HA ILE A 38 16.055 -2.442 -13.102 1.00 52.02 H new ATOM 0 HB ILE A 38 16.989 -2.049 -10.971 1.00 52.51 H new ATOM 0 HG12 ILE A 38 17.274 -4.320 -10.218 1.00 45.11 H new ATOM 0 HG13 ILE A 38 16.444 -3.412 -8.969 1.00 45.11 H new ATOM 0 HG21 ILE A 38 15.093 -1.446 -9.519 1.00 33.35 H new ATOM 0 HG22 ILE A 38 14.791 -0.997 -11.214 1.00 33.35 H new ATOM 0 HG23 ILE A 38 14.011 -2.440 -10.523 1.00 33.35 H new ATOM 0 HD11 ILE A 38 15.457 -5.634 -9.240 1.00 51.11 H new ATOM 0 HD12 ILE A 38 14.286 -4.371 -9.687 1.00 51.11 H new ATOM 0 HD13 ILE A 38 15.128 -5.292 -10.955 1.00 51.11 H new ATOM 581 N LYS A 39 18.123 -4.057 -12.720 1.00 24.12 N ATOM 582 CA LYS A 39 19.154 -5.062 -12.953 1.00 11.11 C ATOM 583 C LYS A 39 19.418 -5.874 -11.689 1.00 11.01 C ATOM 584 O LYS A 39 19.152 -5.414 -10.578 1.00 21.10 O ATOM 585 CB LYS A 39 20.449 -4.395 -13.423 1.00 14.11 C ATOM 586 CG LYS A 39 20.523 -4.205 -14.928 1.00 41.40 C ATOM 587 CD LYS A 39 21.950 -3.962 -15.389 1.00 43.15 C ATOM 588 CE LYS A 39 22.505 -5.162 -16.141 1.00 72.23 C ATOM 589 NZ LYS A 39 21.838 -5.347 -17.460 1.00 34.43 N ATOM 0 H LYS A 39 18.475 -3.103 -12.638 1.00 24.12 H new ATOM 0 HA LYS A 39 18.798 -5.738 -13.730 1.00 11.11 H new ATOM 0 HB2 LYS A 39 20.545 -3.424 -12.937 1.00 14.11 H new ATOM 0 HB3 LYS A 39 21.297 -4.998 -13.099 1.00 14.11 H new ATOM 0 HG2 LYS A 39 20.124 -5.088 -15.427 1.00 41.40 H new ATOM 0 HG3 LYS A 39 19.897 -3.362 -15.221 1.00 41.40 H new ATOM 0 HD2 LYS A 39 21.981 -3.082 -16.032 1.00 43.15 H new ATOM 0 HD3 LYS A 39 22.581 -3.748 -14.526 1.00 43.15 H new ATOM 0 HE2 LYS A 39 23.577 -5.033 -16.291 1.00 72.23 H new ATOM 0 HE3 LYS A 39 22.374 -6.061 -15.538 1.00 72.23 H new ATOM 0 HZ1 LYS A 39 22.416 -5.972 -18.057 1.00 34.43 H new ATOM 0 HZ2 LYS A 39 20.900 -5.774 -17.318 1.00 34.43 H new ATOM 0 HZ3 LYS A 39 21.731 -4.424 -17.927 1.00 34.43 H new ATOM 603 N ILE A 40 19.943 -7.082 -11.866 1.00 11.41 N ATOM 604 CA ILE A 40 20.245 -7.955 -10.739 1.00 71.40 C ATOM 605 C ILE A 40 21.036 -7.215 -9.666 1.00 63.21 C ATOM 606 O ILE A 40 20.874 -7.469 -8.472 1.00 15.10 O ATOM 607 CB ILE A 40 21.042 -9.195 -11.186 1.00 22.03 C ATOM 608 CG1 ILE A 40 20.239 -10.004 -12.206 1.00 65.24 C ATOM 609 CG2 ILE A 40 21.401 -10.056 -9.983 1.00 51.44 C ATOM 610 CD1 ILE A 40 18.994 -10.640 -11.629 1.00 25.22 C ATOM 0 H ILE A 40 20.168 -7.478 -12.779 1.00 11.41 H new ATOM 0 HA ILE A 40 19.290 -8.277 -10.324 1.00 71.40 H new ATOM 0 HB ILE A 40 21.966 -8.863 -11.660 1.00 22.03 H new ATOM 0 HG12 ILE A 40 19.954 -9.352 -13.032 1.00 65.24 H new ATOM 0 HG13 ILE A 40 20.877 -10.784 -12.621 1.00 65.24 H new ATOM 0 HG21 ILE A 40 21.964 -10.928 -10.315 1.00 51.44 H new ATOM 0 HG22 ILE A 40 22.008 -9.475 -9.288 1.00 51.44 H new ATOM 0 HG23 ILE A 40 20.489 -10.382 -9.483 1.00 51.44 H new ATOM 0 HD11 ILE A 40 18.475 -11.197 -12.409 1.00 25.22 H new ATOM 0 HD12 ILE A 40 19.272 -11.318 -10.822 1.00 25.22 H new ATOM 0 HD13 ILE A 40 18.336 -9.863 -11.239 1.00 25.22 H new ATOM 622 N THR A 41 21.894 -6.296 -10.099 1.00 72.21 N ATOM 623 CA THR A 41 22.710 -5.518 -9.177 1.00 4.25 C ATOM 624 C THR A 41 21.857 -4.538 -8.379 1.00 61.21 C ATOM 625 O THR A 41 22.096 -4.317 -7.192 1.00 74.43 O ATOM 626 CB THR A 41 23.809 -4.736 -9.921 1.00 50.12 C ATOM 627 OG1 THR A 41 24.583 -3.972 -8.990 1.00 25.11 O ATOM 628 CG2 THR A 41 23.202 -3.809 -10.964 1.00 34.25 C ATOM 0 H THR A 41 22.041 -6.073 -11.083 1.00 72.21 H new ATOM 0 HA THR A 41 23.178 -6.228 -8.495 1.00 4.25 H new ATOM 0 HB THR A 41 24.455 -5.454 -10.427 1.00 50.12 H new ATOM 0 HG1 THR A 41 25.280 -3.479 -9.471 1.00 25.11 H new ATOM 0 HG21 THR A 41 23.997 -3.267 -11.476 1.00 34.25 H new ATOM 0 HG22 THR A 41 22.638 -4.396 -11.688 1.00 34.25 H new ATOM 0 HG23 THR A 41 22.536 -3.098 -10.475 1.00 34.25 H new ATOM 636 N GLU A 42 20.862 -3.954 -9.039 1.00 34.41 N ATOM 637 CA GLU A 42 19.973 -2.998 -8.390 1.00 10.24 C ATOM 638 C GLU A 42 19.117 -3.684 -7.329 1.00 55.12 C ATOM 639 O GLU A 42 18.717 -3.066 -6.342 1.00 40.33 O ATOM 640 CB GLU A 42 19.075 -2.318 -9.425 1.00 74.21 C ATOM 641 CG GLU A 42 19.625 -0.997 -9.935 1.00 63.23 C ATOM 642 CD GLU A 42 18.554 -0.117 -10.549 1.00 1.53 C ATOM 643 OE1 GLU A 42 18.017 0.752 -9.829 1.00 61.33 O ATOM 644 OE2 GLU A 42 18.253 -0.295 -11.747 1.00 73.42 O ATOM 0 H GLU A 42 20.651 -4.126 -10.022 1.00 34.41 H new ATOM 0 HA GLU A 42 20.589 -2.242 -7.902 1.00 10.24 H new ATOM 0 HB2 GLU A 42 18.933 -2.993 -10.269 1.00 74.21 H new ATOM 0 HB3 GLU A 42 18.093 -2.147 -8.985 1.00 74.21 H new ATOM 0 HG2 GLU A 42 20.100 -0.464 -9.112 1.00 63.23 H new ATOM 0 HG3 GLU A 42 20.399 -1.192 -10.677 1.00 63.23 H new ATOM 651 N VAL A 43 18.838 -4.966 -7.541 1.00 32.32 N ATOM 652 CA VAL A 43 18.029 -5.738 -6.604 1.00 45.41 C ATOM 653 C VAL A 43 18.729 -5.873 -5.256 1.00 63.35 C ATOM 654 O VAL A 43 18.081 -5.990 -4.217 1.00 41.54 O ATOM 655 CB VAL A 43 17.721 -7.143 -7.154 1.00 22.02 C ATOM 656 CG1 VAL A 43 16.979 -7.971 -6.116 1.00 71.43 C ATOM 657 CG2 VAL A 43 16.920 -7.046 -8.443 1.00 61.34 C ATOM 0 H VAL A 43 19.160 -5.492 -8.353 1.00 32.32 H new ATOM 0 HA VAL A 43 17.093 -5.195 -6.471 1.00 45.41 H new ATOM 0 HB VAL A 43 18.664 -7.643 -7.376 1.00 22.02 H new ATOM 0 HG11 VAL A 43 16.770 -8.961 -6.522 1.00 71.43 H new ATOM 0 HG12 VAL A 43 17.594 -8.068 -5.221 1.00 71.43 H new ATOM 0 HG13 VAL A 43 16.041 -7.478 -5.860 1.00 71.43 H new ATOM 0 HG21 VAL A 43 16.711 -8.048 -8.818 1.00 61.34 H new ATOM 0 HG22 VAL A 43 15.981 -6.528 -8.250 1.00 61.34 H new ATOM 0 HG23 VAL A 43 17.493 -6.493 -9.187 1.00 61.34 H new ATOM 667 N GLY A 44 20.059 -5.857 -5.282 1.00 33.03 N ATOM 668 CA GLY A 44 20.825 -5.979 -4.056 1.00 4.34 C ATOM 669 C GLY A 44 20.323 -5.055 -2.964 1.00 31.35 C ATOM 670 O GLY A 44 19.801 -5.497 -1.939 1.00 51.55 O ATOM 0 H GLY A 44 20.618 -5.762 -6.130 1.00 33.03 H new ATOM 0 HA2 GLY A 44 20.780 -7.010 -3.704 1.00 4.34 H new ATOM 0 HA3 GLY A 44 21.872 -5.758 -4.262 1.00 4.34 H new ATOM 674 N PRO A 45 20.481 -3.740 -3.176 1.00 33.41 N ATOM 675 CA PRO A 45 20.046 -2.725 -2.212 1.00 24.11 C ATOM 676 C PRO A 45 18.528 -2.627 -2.118 1.00 34.24 C ATOM 677 O PRO A 45 17.986 -2.176 -1.108 1.00 44.41 O ATOM 678 CB PRO A 45 20.632 -1.428 -2.775 1.00 51.31 C ATOM 679 CG PRO A 45 20.776 -1.680 -4.236 1.00 65.31 C ATOM 680 CD PRO A 45 21.095 -3.144 -4.374 1.00 14.51 C ATOM 0 HA PRO A 45 20.378 -2.955 -1.200 1.00 24.11 H new ATOM 0 HB2 PRO A 45 19.974 -0.580 -2.582 1.00 51.31 H new ATOM 0 HB3 PRO A 45 21.593 -1.196 -2.317 1.00 51.31 H new ATOM 0 HG2 PRO A 45 19.858 -1.429 -4.768 1.00 65.31 H new ATOM 0 HG3 PRO A 45 21.569 -1.066 -4.662 1.00 65.31 H new ATOM 0 HD2 PRO A 45 20.677 -3.562 -5.290 1.00 14.51 H new ATOM 0 HD3 PRO A 45 22.170 -3.320 -4.405 1.00 14.51 H new ATOM 688 N TYR A 46 17.845 -3.053 -3.175 1.00 24.12 N ATOM 689 CA TYR A 46 16.388 -3.011 -3.212 1.00 24.54 C ATOM 690 C TYR A 46 15.793 -4.333 -2.735 1.00 4.01 C ATOM 691 O TYR A 46 14.754 -4.771 -3.227 1.00 0.11 O ATOM 692 CB TYR A 46 15.902 -2.702 -4.628 1.00 52.23 C ATOM 693 CG TYR A 46 16.094 -1.258 -5.032 1.00 42.45 C ATOM 694 CD1 TYR A 46 15.711 -0.223 -4.188 1.00 41.31 C ATOM 695 CD2 TYR A 46 16.658 -0.928 -6.259 1.00 10.23 C ATOM 696 CE1 TYR A 46 15.884 1.098 -4.553 1.00 43.43 C ATOM 697 CE2 TYR A 46 16.836 0.390 -6.632 1.00 3.35 C ATOM 698 CZ TYR A 46 16.448 1.400 -5.776 1.00 33.33 C ATOM 699 OH TYR A 46 16.622 2.714 -6.144 1.00 44.00 O ATOM 0 H TYR A 46 18.277 -3.431 -4.018 1.00 24.12 H new ATOM 0 HA TYR A 46 16.055 -2.220 -2.540 1.00 24.54 H new ATOM 0 HB2 TYR A 46 16.433 -3.342 -5.333 1.00 52.23 H new ATOM 0 HB3 TYR A 46 14.844 -2.954 -4.703 1.00 52.23 H new ATOM 0 HD1 TYR A 46 15.270 -0.455 -3.230 1.00 41.31 H new ATOM 0 HD2 TYR A 46 16.962 -1.716 -6.932 1.00 10.23 H new ATOM 0 HE1 TYR A 46 15.580 1.890 -3.885 1.00 43.43 H new ATOM 0 HE2 TYR A 46 17.277 0.629 -7.589 1.00 3.35 H new ATOM 0 HH TYR A 46 17.033 2.753 -7.033 1.00 44.00 H new ATOM 709 N GLU A 47 16.461 -4.962 -1.773 1.00 21.30 N ATOM 710 CA GLU A 47 15.999 -6.234 -1.229 1.00 52.03 C ATOM 711 C GLU A 47 15.075 -6.012 -0.035 1.00 50.52 C ATOM 712 O GLU A 47 14.089 -6.728 0.143 1.00 44.55 O ATOM 713 CB GLU A 47 17.190 -7.099 -0.812 1.00 40.12 C ATOM 714 CG GLU A 47 17.682 -8.028 -1.910 1.00 13.33 C ATOM 715 CD GLU A 47 18.324 -9.288 -1.363 1.00 41.22 C ATOM 716 OE1 GLU A 47 18.713 -10.155 -2.173 1.00 21.22 O ATOM 717 OE2 GLU A 47 18.438 -9.406 -0.125 1.00 51.01 O ATOM 0 H GLU A 47 17.323 -4.612 -1.355 1.00 21.30 H new ATOM 0 HA GLU A 47 15.439 -6.751 -2.009 1.00 52.03 H new ATOM 0 HB2 GLU A 47 18.009 -6.450 -0.503 1.00 40.12 H new ATOM 0 HB3 GLU A 47 16.909 -7.694 0.057 1.00 40.12 H new ATOM 0 HG2 GLU A 47 16.845 -8.301 -2.552 1.00 13.33 H new ATOM 0 HG3 GLU A 47 18.403 -7.498 -2.533 1.00 13.33 H new ATOM 724 N ASP A 48 15.402 -5.015 0.780 1.00 14.11 N ATOM 725 CA ASP A 48 14.602 -4.697 1.957 1.00 12.23 C ATOM 726 C ASP A 48 13.350 -3.917 1.569 1.00 13.41 C ATOM 727 O ASP A 48 12.227 -4.353 1.827 1.00 25.15 O ATOM 728 CB ASP A 48 15.429 -3.891 2.960 1.00 64.01 C ATOM 729 CG ASP A 48 16.686 -4.621 3.393 1.00 52.15 C ATOM 730 OD1 ASP A 48 16.827 -5.813 3.049 1.00 41.11 O ATOM 731 OD2 ASP A 48 17.528 -4.000 4.076 1.00 74.35 O ATOM 0 H ASP A 48 16.215 -4.414 0.647 1.00 14.11 H new ATOM 0 HA ASP A 48 14.295 -5.634 2.421 1.00 12.23 H new ATOM 0 HB2 ASP A 48 15.703 -2.934 2.515 1.00 64.01 H new ATOM 0 HB3 ASP A 48 14.819 -3.672 3.837 1.00 64.01 H new ATOM 736 N THR A 49 13.549 -2.758 0.947 1.00 21.44 N ATOM 737 CA THR A 49 12.437 -1.916 0.526 1.00 61.14 C ATOM 738 C THR A 49 11.428 -2.709 -0.298 1.00 3.25 C ATOM 739 O THR A 49 10.230 -2.688 -0.016 1.00 44.14 O ATOM 740 CB THR A 49 12.926 -0.713 -0.303 1.00 24.12 C ATOM 741 OG1 THR A 49 13.572 -1.170 -1.497 1.00 34.34 O ATOM 742 CG2 THR A 49 13.890 0.144 0.504 1.00 21.43 C ATOM 0 H THR A 49 14.471 -2.382 0.724 1.00 21.44 H new ATOM 0 HA THR A 49 11.955 -1.552 1.433 1.00 61.14 H new ATOM 0 HB THR A 49 12.060 -0.107 -0.568 1.00 24.12 H new ATOM 0 HG1 THR A 49 13.453 -0.506 -2.208 1.00 34.34 H new ATOM 0 HG21 THR A 49 14.222 0.987 -0.102 1.00 21.43 H new ATOM 0 HG22 THR A 49 13.387 0.515 1.397 1.00 21.43 H new ATOM 0 HG23 THR A 49 14.753 -0.455 0.796 1.00 21.43 H new ATOM 750 N ALA A 50 11.921 -3.408 -1.315 1.00 54.20 N ATOM 751 CA ALA A 50 11.062 -4.210 -2.177 1.00 53.24 C ATOM 752 C ALA A 50 10.434 -5.366 -1.405 1.00 45.25 C ATOM 753 O ALA A 50 11.114 -6.062 -0.651 1.00 11.01 O ATOM 754 CB ALA A 50 11.851 -4.734 -3.368 1.00 30.22 C ATOM 0 H ALA A 50 12.910 -3.435 -1.562 1.00 54.20 H new ATOM 0 HA ALA A 50 10.257 -3.572 -2.541 1.00 53.24 H new ATOM 0 HB1 ALA A 50 11.197 -5.331 -4.003 1.00 30.22 H new ATOM 0 HB2 ALA A 50 12.246 -3.895 -3.941 1.00 30.22 H new ATOM 0 HB3 ALA A 50 12.676 -5.352 -3.014 1.00 30.22 H new ATOM 760 N ASP A 51 9.135 -5.564 -1.599 1.00 2.13 N ATOM 761 CA ASP A 51 8.416 -6.636 -0.921 1.00 22.25 C ATOM 762 C ASP A 51 8.486 -7.931 -1.725 1.00 4.25 C ATOM 763 O ASP A 51 9.034 -8.933 -1.262 1.00 50.50 O ATOM 764 CB ASP A 51 6.956 -6.239 -0.697 1.00 43.51 C ATOM 765 CG ASP A 51 6.376 -6.851 0.562 1.00 34.12 C ATOM 766 OD1 ASP A 51 6.019 -6.087 1.483 1.00 74.11 O ATOM 767 OD2 ASP A 51 6.279 -8.095 0.627 1.00 11.34 O ATOM 0 H ASP A 51 8.558 -4.996 -2.220 1.00 2.13 H new ATOM 0 HA ASP A 51 8.891 -6.803 0.046 1.00 22.25 H new ATOM 0 HB2 ASP A 51 6.883 -5.153 -0.636 1.00 43.51 H new ATOM 0 HB3 ASP A 51 6.362 -6.551 -1.556 1.00 43.51 H new ATOM 772 N LEU A 52 7.928 -7.904 -2.930 1.00 0.44 N ATOM 773 CA LEU A 52 7.926 -9.075 -3.798 1.00 61.55 C ATOM 774 C LEU A 52 8.892 -8.890 -4.965 1.00 34.23 C ATOM 775 O LEU A 52 9.091 -7.775 -5.448 1.00 64.02 O ATOM 776 CB LEU A 52 6.515 -9.341 -4.327 1.00 2.32 C ATOM 777 CG LEU A 52 6.035 -10.791 -4.259 1.00 13.21 C ATOM 778 CD1 LEU A 52 6.880 -11.676 -5.162 1.00 13.12 C ATOM 779 CD2 LEU A 52 6.072 -11.298 -2.825 1.00 22.42 C ATOM 0 H LEU A 52 7.471 -7.083 -3.328 1.00 0.44 H new ATOM 0 HA LEU A 52 8.255 -9.932 -3.210 1.00 61.55 H new ATOM 0 HB2 LEU A 52 5.816 -8.721 -3.766 1.00 2.32 H new ATOM 0 HB3 LEU A 52 6.470 -9.013 -5.365 1.00 2.32 H new ATOM 0 HG LEU A 52 5.004 -10.829 -4.610 1.00 13.21 H new ATOM 0 HD11 LEU A 52 6.524 -12.704 -5.100 1.00 13.12 H new ATOM 0 HD12 LEU A 52 6.802 -11.326 -6.191 1.00 13.12 H new ATOM 0 HD13 LEU A 52 7.921 -11.633 -4.842 1.00 13.12 H new ATOM 0 HD21 LEU A 52 5.727 -12.332 -2.795 1.00 22.42 H new ATOM 0 HD22 LEU A 52 7.093 -11.245 -2.447 1.00 22.42 H new ATOM 0 HD23 LEU A 52 5.423 -10.681 -2.204 1.00 22.42 H new ATOM 791 N LEU A 53 9.487 -9.990 -5.414 1.00 14.23 N ATOM 792 CA LEU A 53 10.430 -9.950 -6.526 1.00 10.44 C ATOM 793 C LEU A 53 10.236 -11.149 -7.448 1.00 53.32 C ATOM 794 O LEU A 53 10.136 -12.287 -6.991 1.00 73.40 O ATOM 795 CB LEU A 53 11.867 -9.923 -6.001 1.00 35.13 C ATOM 796 CG LEU A 53 12.963 -10.201 -7.030 1.00 35.30 C ATOM 797 CD1 LEU A 53 12.989 -9.111 -8.089 1.00 42.44 C ATOM 798 CD2 LEU A 53 14.318 -10.318 -6.348 1.00 13.03 C ATOM 0 H LEU A 53 9.333 -10.920 -5.025 1.00 14.23 H new ATOM 0 HA LEU A 53 10.241 -9.041 -7.098 1.00 10.44 H new ATOM 0 HB2 LEU A 53 12.052 -8.945 -5.558 1.00 35.13 H new ATOM 0 HB3 LEU A 53 11.954 -10.657 -5.200 1.00 35.13 H new ATOM 0 HG LEU A 53 12.743 -11.149 -7.520 1.00 35.30 H new ATOM 0 HD11 LEU A 53 13.775 -9.326 -8.813 1.00 42.44 H new ATOM 0 HD12 LEU A 53 12.026 -9.076 -8.599 1.00 42.44 H new ATOM 0 HD13 LEU A 53 13.184 -8.149 -7.616 1.00 42.44 H new ATOM 0 HD21 LEU A 53 15.086 -10.516 -7.096 1.00 13.03 H new ATOM 0 HD22 LEU A 53 14.547 -9.386 -5.831 1.00 13.03 H new ATOM 0 HD23 LEU A 53 14.293 -11.136 -5.628 1.00 13.03 H new ATOM 810 N VAL A 54 10.185 -10.885 -8.750 1.00 62.21 N ATOM 811 CA VAL A 54 10.006 -11.943 -9.738 1.00 5.32 C ATOM 812 C VAL A 54 11.185 -11.998 -10.703 1.00 23.11 C ATOM 813 O VAL A 54 11.419 -11.064 -11.470 1.00 41.42 O ATOM 814 CB VAL A 54 8.708 -11.746 -10.542 1.00 14.01 C ATOM 815 CG1 VAL A 54 8.446 -12.948 -11.437 1.00 2.13 C ATOM 816 CG2 VAL A 54 7.534 -11.503 -9.606 1.00 14.53 C ATOM 0 H VAL A 54 10.265 -9.948 -9.145 1.00 62.21 H new ATOM 0 HA VAL A 54 9.945 -12.882 -9.189 1.00 5.32 H new ATOM 0 HB VAL A 54 8.825 -10.868 -11.178 1.00 14.01 H new ATOM 0 HG11 VAL A 54 7.524 -12.790 -11.997 1.00 2.13 H new ATOM 0 HG12 VAL A 54 9.277 -13.072 -12.132 1.00 2.13 H new ATOM 0 HG13 VAL A 54 8.349 -13.844 -10.824 1.00 2.13 H new ATOM 0 HG21 VAL A 54 6.625 -11.366 -10.191 1.00 14.53 H new ATOM 0 HG22 VAL A 54 7.413 -12.360 -8.943 1.00 14.53 H new ATOM 0 HG23 VAL A 54 7.721 -10.609 -9.012 1.00 14.53 H new ATOM 826 N THR A 55 11.927 -13.101 -10.660 1.00 53.13 N ATOM 827 CA THR A 55 13.082 -13.279 -11.530 1.00 44.03 C ATOM 828 C THR A 55 13.013 -14.610 -12.270 1.00 44.25 C ATOM 829 O THR A 55 12.536 -15.609 -11.731 1.00 51.32 O ATOM 830 CB THR A 55 14.400 -13.215 -10.735 1.00 13.34 C ATOM 831 OG1 THR A 55 15.503 -13.538 -11.588 1.00 25.25 O ATOM 832 CG2 THR A 55 14.366 -14.174 -9.554 1.00 43.32 C ATOM 0 H THR A 55 11.748 -13.884 -10.031 1.00 53.13 H new ATOM 0 HA THR A 55 13.062 -12.463 -12.252 1.00 44.03 H new ATOM 0 HB THR A 55 14.521 -12.201 -10.355 1.00 13.34 H new ATOM 0 HG1 THR A 55 15.708 -12.771 -12.162 1.00 25.25 H new ATOM 0 HG21 THR A 55 15.307 -14.112 -9.007 1.00 43.32 H new ATOM 0 HG22 THR A 55 13.543 -13.906 -8.891 1.00 43.32 H new ATOM 0 HG23 THR A 55 14.224 -15.192 -9.916 1.00 43.32 H new ATOM 840 N THR A 56 13.494 -14.618 -13.510 1.00 61.00 N ATOM 841 CA THR A 56 13.487 -15.826 -14.325 1.00 34.43 C ATOM 842 C THR A 56 14.616 -16.767 -13.923 1.00 24.52 C ATOM 843 O THR A 56 14.460 -17.988 -13.949 1.00 55.32 O ATOM 844 CB THR A 56 13.619 -15.495 -15.823 1.00 54.41 C ATOM 845 OG1 THR A 56 14.923 -14.970 -16.096 1.00 20.53 O ATOM 846 CG2 THR A 56 12.562 -14.486 -16.249 1.00 62.32 C ATOM 0 H THR A 56 13.893 -13.801 -13.971 1.00 61.00 H new ATOM 0 HA THR A 56 12.529 -16.317 -14.153 1.00 34.43 H new ATOM 0 HB THR A 56 13.472 -16.414 -16.390 1.00 54.41 H new ATOM 0 HG1 THR A 56 14.844 -14.185 -16.677 1.00 20.53 H new ATOM 0 HG21 THR A 56 12.675 -14.267 -17.311 1.00 62.32 H new ATOM 0 HG22 THR A 56 11.570 -14.899 -16.067 1.00 62.32 H new ATOM 0 HG23 THR A 56 12.683 -13.568 -15.675 1.00 62.32 H new ATOM 854 N ALA A 57 15.755 -16.192 -13.550 1.00 61.31 N ATOM 855 CA ALA A 57 16.911 -16.980 -13.140 1.00 34.51 C ATOM 856 C ALA A 57 17.026 -17.036 -11.620 1.00 52.23 C ATOM 857 O ALA A 57 16.173 -16.512 -10.904 1.00 41.55 O ATOM 858 CB ALA A 57 18.183 -16.408 -13.747 1.00 53.31 C ATOM 0 H ALA A 57 15.902 -15.183 -13.523 1.00 61.31 H new ATOM 0 HA ALA A 57 16.774 -17.998 -13.506 1.00 34.51 H new ATOM 0 HB1 ALA A 57 19.038 -17.007 -13.432 1.00 53.31 H new ATOM 0 HB2 ALA A 57 18.108 -16.427 -14.834 1.00 53.31 H new ATOM 0 HB3 ALA A 57 18.316 -15.380 -13.410 1.00 53.31 H new ATOM 864 N MET A 58 18.085 -17.675 -11.135 1.00 2.33 N ATOM 865 CA MET A 58 18.311 -17.798 -9.699 1.00 43.53 C ATOM 866 C MET A 58 19.715 -17.329 -9.328 1.00 33.21 C ATOM 867 O MET A 58 20.563 -17.124 -10.197 1.00 73.21 O ATOM 868 CB MET A 58 18.109 -19.247 -9.252 1.00 5.52 C ATOM 869 CG MET A 58 16.655 -19.606 -8.993 1.00 43.21 C ATOM 870 SD MET A 58 16.005 -18.836 -7.498 1.00 51.21 S ATOM 871 CE MET A 58 16.043 -20.219 -6.361 1.00 10.02 C ATOM 0 H MET A 58 18.800 -18.115 -11.714 1.00 2.33 H new ATOM 0 HA MET A 58 17.588 -17.164 -9.186 1.00 43.53 H new ATOM 0 HB2 MET A 58 18.509 -19.913 -10.016 1.00 5.52 H new ATOM 0 HB3 MET A 58 18.685 -19.422 -8.344 1.00 5.52 H new ATOM 0 HG2 MET A 58 16.051 -19.299 -9.847 1.00 43.21 H new ATOM 0 HG3 MET A 58 16.562 -20.689 -8.909 1.00 43.21 H new ATOM 0 HE1 MET A 58 15.669 -19.900 -5.388 1.00 10.02 H new ATOM 0 HE2 MET A 58 15.415 -21.023 -6.745 1.00 10.02 H new ATOM 0 HE3 MET A 58 17.067 -20.576 -6.257 1.00 10.02 H new ATOM 881 N THR A 59 19.954 -17.161 -8.031 1.00 50.00 N ATOM 882 CA THR A 59 21.254 -16.715 -7.545 1.00 72.41 C ATOM 883 C THR A 59 21.659 -17.472 -6.285 1.00 72.35 C ATOM 884 O THR A 59 20.878 -18.252 -5.739 1.00 65.31 O ATOM 885 CB THR A 59 21.254 -15.205 -7.245 1.00 15.32 C ATOM 886 OG1 THR A 59 22.588 -14.757 -6.981 1.00 30.53 O ATOM 887 CG2 THR A 59 20.363 -14.890 -6.053 1.00 35.03 C ATOM 0 H THR A 59 19.264 -17.327 -7.298 1.00 50.00 H new ATOM 0 HA THR A 59 21.975 -16.920 -8.337 1.00 72.41 H new ATOM 0 HB THR A 59 20.863 -14.684 -8.119 1.00 15.32 H new ATOM 0 HG1 THR A 59 23.205 -15.175 -7.617 1.00 30.53 H new ATOM 0 HG21 THR A 59 20.379 -13.817 -5.860 1.00 35.03 H new ATOM 0 HG22 THR A 59 19.342 -15.205 -6.269 1.00 35.03 H new ATOM 0 HG23 THR A 59 20.729 -15.422 -5.175 1.00 35.03 H new ATOM 895 N LYS A 60 22.884 -17.237 -5.828 1.00 32.22 N ATOM 896 CA LYS A 60 23.393 -17.895 -4.630 1.00 61.14 C ATOM 897 C LYS A 60 23.008 -17.117 -3.376 1.00 43.54 C ATOM 898 O LYS A 60 22.729 -17.703 -2.330 1.00 54.44 O ATOM 899 CB LYS A 60 24.915 -18.036 -4.709 1.00 50.01 C ATOM 900 CG LYS A 60 25.379 -19.070 -5.720 1.00 75.13 C ATOM 901 CD LYS A 60 26.704 -19.693 -5.314 1.00 14.23 C ATOM 902 CE LYS A 60 27.031 -20.911 -6.163 1.00 71.23 C ATOM 903 NZ LYS A 60 27.922 -21.865 -5.446 1.00 10.41 N ATOM 0 H LYS A 60 23.543 -16.596 -6.269 1.00 32.22 H new ATOM 0 HA LYS A 60 22.945 -18.887 -4.572 1.00 61.14 H new ATOM 0 HB2 LYS A 60 25.348 -17.069 -4.966 1.00 50.01 H new ATOM 0 HB3 LYS A 60 25.298 -18.305 -3.725 1.00 50.01 H new ATOM 0 HG2 LYS A 60 24.624 -19.850 -5.816 1.00 75.13 H new ATOM 0 HG3 LYS A 60 25.481 -18.602 -6.699 1.00 75.13 H new ATOM 0 HD2 LYS A 60 27.500 -18.955 -5.413 1.00 14.23 H new ATOM 0 HD3 LYS A 60 26.665 -19.980 -4.263 1.00 14.23 H new ATOM 0 HE2 LYS A 60 26.107 -21.417 -6.442 1.00 71.23 H new ATOM 0 HE3 LYS A 60 27.511 -20.591 -7.088 1.00 71.23 H new ATOM 0 HZ1 LYS A 60 28.121 -22.681 -6.059 1.00 10.41 H new ATOM 0 HZ2 LYS A 60 28.814 -21.390 -5.201 1.00 10.41 H new ATOM 0 HZ3 LYS A 60 27.454 -22.191 -4.576 1.00 10.41 H new ATOM 917 N LYS A 61 22.995 -15.793 -3.488 1.00 52.44 N ATOM 918 CA LYS A 61 22.641 -14.933 -2.365 1.00 45.21 C ATOM 919 C LYS A 61 21.312 -15.360 -1.750 1.00 44.31 C ATOM 920 O LYS A 61 20.515 -16.046 -2.389 1.00 2.52 O ATOM 921 CB LYS A 61 22.560 -13.474 -2.819 1.00 2.41 C ATOM 922 CG LYS A 61 23.917 -12.836 -3.062 1.00 41.13 C ATOM 923 CD LYS A 61 23.780 -11.436 -3.636 1.00 43.51 C ATOM 924 CE LYS A 61 25.137 -10.838 -3.977 1.00 72.04 C ATOM 925 NZ LYS A 61 25.962 -10.605 -2.760 1.00 64.31 N ATOM 0 H LYS A 61 23.226 -15.292 -4.346 1.00 52.44 H new ATOM 0 HA LYS A 61 23.419 -15.029 -1.607 1.00 45.21 H new ATOM 0 HB2 LYS A 61 21.973 -13.420 -3.736 1.00 2.41 H new ATOM 0 HB3 LYS A 61 22.026 -12.897 -2.064 1.00 2.41 H new ATOM 0 HG2 LYS A 61 24.473 -12.793 -2.125 1.00 41.13 H new ATOM 0 HG3 LYS A 61 24.494 -13.456 -3.748 1.00 41.13 H new ATOM 0 HD2 LYS A 61 23.160 -11.468 -4.532 1.00 43.51 H new ATOM 0 HD3 LYS A 61 23.269 -10.795 -2.917 1.00 43.51 H new ATOM 0 HE2 LYS A 61 25.669 -11.507 -4.654 1.00 72.04 H new ATOM 0 HE3 LYS A 61 24.996 -9.895 -4.506 1.00 72.04 H new ATOM 0 HZ1 LYS A 61 26.835 -10.105 -3.023 1.00 64.31 H new ATOM 0 HZ2 LYS A 61 25.424 -10.029 -2.081 1.00 64.31 H new ATOM 0 HZ3 LYS A 61 26.204 -11.518 -2.325 1.00 64.31 H new ATOM 939 N GLU A 62 21.081 -14.948 -0.507 1.00 40.15 N ATOM 940 CA GLU A 62 19.848 -15.288 0.192 1.00 34.10 C ATOM 941 C GLU A 62 18.883 -14.106 0.200 1.00 11.21 C ATOM 942 O GLU A 62 19.099 -13.119 0.904 1.00 32.24 O ATOM 943 CB GLU A 62 20.152 -15.722 1.627 1.00 2.35 C ATOM 944 CG GLU A 62 20.967 -17.001 1.717 1.00 74.31 C ATOM 945 CD GLU A 62 20.127 -18.244 1.492 1.00 23.00 C ATOM 946 OE1 GLU A 62 19.483 -18.708 2.456 1.00 51.23 O ATOM 947 OE2 GLU A 62 20.115 -18.752 0.351 1.00 20.43 O ATOM 0 H GLU A 62 21.731 -14.379 0.035 1.00 40.15 H new ATOM 0 HA GLU A 62 19.377 -16.116 -0.338 1.00 34.10 H new ATOM 0 HB2 GLU A 62 20.691 -14.921 2.133 1.00 2.35 H new ATOM 0 HB3 GLU A 62 19.213 -15.861 2.162 1.00 2.35 H new ATOM 0 HG2 GLU A 62 21.768 -16.970 0.979 1.00 74.31 H new ATOM 0 HG3 GLU A 62 21.439 -17.059 2.698 1.00 74.31 H new ATOM 954 N TYR A 63 17.819 -14.213 -0.588 1.00 40.20 N ATOM 955 CA TYR A 63 16.822 -13.152 -0.675 1.00 23.23 C ATOM 956 C TYR A 63 16.017 -13.054 0.617 1.00 21.25 C ATOM 957 O TYR A 63 15.826 -14.046 1.321 1.00 24.24 O ATOM 958 CB TYR A 63 15.883 -13.401 -1.856 1.00 62.42 C ATOM 959 CG TYR A 63 16.536 -13.189 -3.204 1.00 15.55 C ATOM 960 CD1 TYR A 63 16.766 -14.257 -4.062 1.00 3.41 C ATOM 961 CD2 TYR A 63 16.922 -11.920 -3.618 1.00 10.01 C ATOM 962 CE1 TYR A 63 17.363 -14.067 -5.294 1.00 34.24 C ATOM 963 CE2 TYR A 63 17.517 -11.721 -4.848 1.00 45.03 C ATOM 964 CZ TYR A 63 17.736 -12.798 -5.682 1.00 51.44 C ATOM 965 OH TYR A 63 18.330 -12.604 -6.908 1.00 42.33 O ATOM 0 H TYR A 63 17.625 -15.024 -1.176 1.00 40.20 H new ATOM 0 HA TYR A 63 17.345 -12.208 -0.828 1.00 23.23 H new ATOM 0 HB2 TYR A 63 15.506 -14.422 -1.801 1.00 62.42 H new ATOM 0 HB3 TYR A 63 15.022 -12.738 -1.771 1.00 62.42 H new ATOM 0 HD1 TYR A 63 16.473 -15.252 -3.761 1.00 3.41 H new ATOM 0 HD2 TYR A 63 16.754 -11.075 -2.967 1.00 10.01 H new ATOM 0 HE1 TYR A 63 17.536 -14.908 -5.949 1.00 34.24 H new ATOM 0 HE2 TYR A 63 17.809 -10.728 -5.155 1.00 45.03 H new ATOM 0 HH TYR A 63 18.530 -11.652 -7.028 1.00 42.33 H new ATOM 975 N LYS A 64 15.546 -11.850 0.923 1.00 31.13 N ATOM 976 CA LYS A 64 14.759 -11.619 2.129 1.00 62.40 C ATOM 977 C LYS A 64 13.267 -11.607 1.811 1.00 23.32 C ATOM 978 O LYS A 64 12.510 -10.814 2.371 1.00 73.33 O ATOM 979 CB LYS A 64 15.163 -10.295 2.781 1.00 63.12 C ATOM 980 CG LYS A 64 16.603 -10.269 3.263 1.00 44.01 C ATOM 981 CD LYS A 64 16.726 -10.794 4.683 1.00 34.34 C ATOM 982 CE LYS A 64 16.838 -12.311 4.709 1.00 2.11 C ATOM 983 NZ LYS A 64 17.447 -12.801 5.977 1.00 51.41 N ATOM 0 H LYS A 64 15.696 -11.018 0.352 1.00 31.13 H new ATOM 0 HA LYS A 64 14.958 -12.435 2.824 1.00 62.40 H new ATOM 0 HB2 LYS A 64 15.014 -9.487 2.065 1.00 63.12 H new ATOM 0 HB3 LYS A 64 14.502 -10.099 3.626 1.00 63.12 H new ATOM 0 HG2 LYS A 64 17.221 -10.871 2.597 1.00 44.01 H new ATOM 0 HG3 LYS A 64 16.984 -9.249 3.217 1.00 44.01 H new ATOM 0 HD2 LYS A 64 17.603 -10.355 5.160 1.00 34.34 H new ATOM 0 HD3 LYS A 64 15.858 -10.482 5.264 1.00 34.34 H new ATOM 0 HE2 LYS A 64 15.848 -12.750 4.588 1.00 2.11 H new ATOM 0 HE3 LYS A 64 17.440 -12.645 3.864 1.00 2.11 H new ATOM 0 HZ1 LYS A 64 17.506 -13.839 5.955 1.00 51.41 H new ATOM 0 HZ2 LYS A 64 18.402 -12.402 6.080 1.00 51.41 H new ATOM 0 HZ3 LYS A 64 16.859 -12.504 6.782 1.00 51.41 H new ATOM 997 N PHE A 65 12.852 -12.492 0.911 1.00 54.00 N ATOM 998 CA PHE A 65 11.450 -12.583 0.519 1.00 32.14 C ATOM 999 C PHE A 65 11.204 -13.822 -0.337 1.00 12.11 C ATOM 1000 O PHE A 65 12.117 -14.376 -0.949 1.00 41.10 O ATOM 1001 CB PHE A 65 11.030 -11.328 -0.248 1.00 11.55 C ATOM 1002 CG PHE A 65 12.073 -10.836 -1.209 1.00 43.45 C ATOM 1003 CD1 PHE A 65 12.645 -9.584 -1.051 1.00 44.30 C ATOM 1004 CD2 PHE A 65 12.481 -11.625 -2.273 1.00 5.04 C ATOM 1005 CE1 PHE A 65 13.606 -9.128 -1.934 1.00 62.12 C ATOM 1006 CE2 PHE A 65 13.442 -11.175 -3.159 1.00 10.14 C ATOM 1007 CZ PHE A 65 14.004 -9.925 -2.990 1.00 1.40 C ATOM 0 H PHE A 65 13.466 -13.156 0.439 1.00 54.00 H new ATOM 0 HA PHE A 65 10.850 -12.664 1.425 1.00 32.14 H new ATOM 0 HB2 PHE A 65 10.112 -11.538 -0.797 1.00 11.55 H new ATOM 0 HB3 PHE A 65 10.802 -10.536 0.465 1.00 11.55 H new ATOM 0 HD1 PHE A 65 12.336 -8.957 -0.228 1.00 44.30 H new ATOM 0 HD2 PHE A 65 12.043 -12.603 -2.411 1.00 5.04 H new ATOM 0 HE1 PHE A 65 14.045 -8.151 -1.799 1.00 62.12 H new ATOM 0 HE2 PHE A 65 13.753 -11.801 -3.983 1.00 10.14 H new ATOM 0 HZ PHE A 65 14.754 -9.571 -3.682 1.00 1.40 H new ATOM 1017 N PRO A 66 9.940 -14.268 -0.381 1.00 73.25 N ATOM 1018 CA PRO A 66 9.543 -15.446 -1.159 1.00 11.10 C ATOM 1019 C PRO A 66 9.612 -15.199 -2.662 1.00 41.50 C ATOM 1020 O PRO A 66 8.604 -14.891 -3.298 1.00 12.02 O ATOM 1021 CB PRO A 66 8.096 -15.688 -0.723 1.00 13.31 C ATOM 1022 CG PRO A 66 7.608 -14.354 -0.272 1.00 22.23 C ATOM 1023 CD PRO A 66 8.800 -13.657 0.323 1.00 23.13 C ATOM 0 HA PRO A 66 10.204 -16.294 -0.980 1.00 11.10 H new ATOM 0 HB2 PRO A 66 7.494 -16.072 -1.546 1.00 13.31 H new ATOM 0 HB3 PRO A 66 8.042 -16.422 0.081 1.00 13.31 H new ATOM 0 HG2 PRO A 66 7.200 -13.785 -1.107 1.00 22.23 H new ATOM 0 HG3 PRO A 66 6.810 -14.458 0.463 1.00 22.23 H new ATOM 0 HD2 PRO A 66 8.758 -12.580 0.161 1.00 23.13 H new ATOM 0 HD3 PRO A 66 8.861 -13.815 1.400 1.00 23.13 H new ATOM 1031 N VAL A 67 10.808 -15.335 -3.225 1.00 64.12 N ATOM 1032 CA VAL A 67 11.009 -15.128 -4.654 1.00 53.15 C ATOM 1033 C VAL A 67 10.108 -16.045 -5.474 1.00 50.12 C ATOM 1034 O VAL A 67 9.834 -17.178 -5.078 1.00 63.44 O ATOM 1035 CB VAL A 67 12.475 -15.373 -5.057 1.00 61.11 C ATOM 1036 CG1 VAL A 67 12.675 -15.100 -6.540 1.00 75.42 C ATOM 1037 CG2 VAL A 67 13.408 -14.513 -4.218 1.00 63.13 C ATOM 0 H VAL A 67 11.653 -15.588 -2.713 1.00 64.12 H new ATOM 0 HA VAL A 67 10.752 -14.089 -4.862 1.00 53.15 H new ATOM 0 HB VAL A 67 12.715 -16.420 -4.870 1.00 61.11 H new ATOM 0 HG11 VAL A 67 13.717 -15.279 -6.806 1.00 75.42 H new ATOM 0 HG12 VAL A 67 12.034 -15.762 -7.122 1.00 75.42 H new ATOM 0 HG13 VAL A 67 12.418 -14.063 -6.757 1.00 75.42 H new ATOM 0 HG21 VAL A 67 14.440 -14.699 -4.516 1.00 63.13 H new ATOM 0 HG22 VAL A 67 13.170 -13.461 -4.372 1.00 63.13 H new ATOM 0 HG23 VAL A 67 13.284 -14.763 -3.164 1.00 63.13 H new ATOM 1047 N ILE A 68 9.651 -15.547 -6.618 1.00 74.42 N ATOM 1048 CA ILE A 68 8.782 -16.323 -7.495 1.00 12.22 C ATOM 1049 C ILE A 68 9.368 -16.425 -8.899 1.00 35.10 C ATOM 1050 O ILE A 68 9.509 -15.423 -9.598 1.00 14.30 O ATOM 1051 CB ILE A 68 7.374 -15.705 -7.582 1.00 33.12 C ATOM 1052 CG1 ILE A 68 6.741 -15.627 -6.191 1.00 55.21 C ATOM 1053 CG2 ILE A 68 6.497 -16.516 -8.524 1.00 72.11 C ATOM 1054 CD1 ILE A 68 6.621 -16.970 -5.505 1.00 3.40 C ATOM 0 H ILE A 68 9.868 -14.611 -6.959 1.00 74.42 H new ATOM 0 HA ILE A 68 8.706 -17.321 -7.062 1.00 12.22 H new ATOM 0 HB ILE A 68 7.461 -14.693 -7.979 1.00 33.12 H new ATOM 0 HG12 ILE A 68 7.337 -14.961 -5.567 1.00 55.21 H new ATOM 0 HG13 ILE A 68 5.750 -15.182 -6.276 1.00 55.21 H new ATOM 0 HG21 ILE A 68 5.505 -16.067 -8.575 1.00 72.11 H new ATOM 0 HG22 ILE A 68 6.943 -16.525 -9.519 1.00 72.11 H new ATOM 0 HG23 ILE A 68 6.414 -17.538 -8.154 1.00 72.11 H new ATOM 0 HD11 ILE A 68 6.164 -16.838 -4.524 1.00 3.40 H new ATOM 0 HD12 ILE A 68 6.000 -17.633 -6.108 1.00 3.40 H new ATOM 0 HD13 ILE A 68 7.612 -17.408 -5.387 1.00 3.40 H new ATOM 1066 N ASN A 69 9.705 -17.644 -9.306 1.00 24.40 N ATOM 1067 CA ASN A 69 10.275 -17.878 -10.628 1.00 71.40 C ATOM 1068 C ASN A 69 9.405 -17.253 -11.714 1.00 14.32 C ATOM 1069 O ASN A 69 8.178 -17.338 -11.666 1.00 11.20 O ATOM 1070 CB ASN A 69 10.427 -19.379 -10.882 1.00 74.54 C ATOM 1071 CG ASN A 69 11.563 -19.989 -10.085 1.00 23.12 C ATOM 1072 OD1 ASN A 69 11.353 -20.537 -9.003 1.00 32.52 O ATOM 1073 ND2 ASN A 69 12.776 -19.895 -10.617 1.00 62.31 N ATOM 0 H ASN A 69 9.593 -18.485 -8.740 1.00 24.40 H new ATOM 0 HA ASN A 69 11.258 -17.409 -10.660 1.00 71.40 H new ATOM 0 HB2 ASN A 69 9.495 -19.884 -10.626 1.00 74.54 H new ATOM 0 HB3 ASN A 69 10.600 -19.549 -11.945 1.00 74.54 H new ATOM 0 HD21 ASN A 69 13.580 -20.286 -10.126 1.00 62.31 H new ATOM 0 HD22 ASN A 69 12.904 -19.432 -11.517 1.00 62.31 H new ATOM 1080 N ALA A 70 10.049 -16.625 -12.692 1.00 12.51 N ATOM 1081 CA ALA A 70 9.334 -15.987 -13.791 1.00 4.12 C ATOM 1082 C ALA A 70 9.225 -16.922 -14.991 1.00 4.24 C ATOM 1083 O ALA A 70 9.285 -16.483 -16.139 1.00 41.31 O ATOM 1084 CB ALA A 70 10.027 -14.692 -14.190 1.00 33.04 C ATOM 0 H ALA A 70 11.064 -16.544 -12.746 1.00 12.51 H new ATOM 0 HA ALA A 70 8.325 -15.756 -13.450 1.00 4.12 H new ATOM 0 HB1 ALA A 70 9.483 -14.226 -15.011 1.00 33.04 H new ATOM 0 HB2 ALA A 70 10.048 -14.013 -13.338 1.00 33.04 H new ATOM 0 HB3 ALA A 70 11.047 -14.908 -14.507 1.00 33.04 H new ATOM 1090 N ARG A 71 9.066 -18.212 -14.717 1.00 31.55 N ATOM 1091 CA ARG A 71 8.951 -19.209 -15.774 1.00 34.50 C ATOM 1092 C ARG A 71 7.603 -19.099 -16.481 1.00 11.30 C ATOM 1093 O ARG A 71 7.510 -19.283 -17.694 1.00 3.12 O ATOM 1094 CB ARG A 71 9.123 -20.616 -15.199 1.00 34.54 C ATOM 1095 CG ARG A 71 10.571 -20.993 -14.934 1.00 62.53 C ATOM 1096 CD ARG A 71 11.340 -21.196 -16.231 1.00 13.32 C ATOM 1097 NE ARG A 71 10.789 -22.288 -17.029 1.00 1.03 N ATOM 1098 CZ ARG A 71 10.935 -23.571 -16.718 1.00 34.24 C ATOM 1099 NH1 ARG A 71 11.609 -23.921 -15.631 1.00 43.12 N ATOM 1100 NH2 ARG A 71 10.404 -24.508 -17.494 1.00 1.52 N ATOM 0 H ARG A 71 9.014 -18.592 -13.772 1.00 31.55 H new ATOM 0 HA ARG A 71 9.741 -19.022 -16.502 1.00 34.50 H new ATOM 0 HB2 ARG A 71 8.561 -20.690 -14.268 1.00 34.54 H new ATOM 0 HB3 ARG A 71 8.689 -21.338 -15.891 1.00 34.54 H new ATOM 0 HG2 ARG A 71 11.050 -20.211 -14.344 1.00 62.53 H new ATOM 0 HG3 ARG A 71 10.608 -21.907 -14.341 1.00 62.53 H new ATOM 0 HD2 ARG A 71 11.318 -20.275 -16.813 1.00 13.32 H new ATOM 0 HD3 ARG A 71 12.385 -21.405 -16.004 1.00 13.32 H new ATOM 0 HE ARG A 71 10.263 -22.053 -17.871 1.00 1.03 H new ATOM 0 HH11 ARG A 71 12.017 -23.204 -15.031 1.00 43.12 H new ATOM 0 HH12 ARG A 71 11.719 -24.907 -15.395 1.00 43.12 H new ATOM 0 HH21 ARG A 71 9.883 -24.243 -18.330 1.00 1.52 H new ATOM 0 HH22 ARG A 71 10.517 -25.493 -17.254 1.00 1.52 H new ATOM 1114 N ASN A 72 6.561 -18.797 -15.713 1.00 72.12 N ATOM 1115 CA ASN A 72 5.218 -18.663 -16.266 1.00 12.02 C ATOM 1116 C ASN A 72 5.174 -17.571 -17.330 1.00 41.22 C ATOM 1117 O ASN A 72 4.427 -17.667 -18.304 1.00 35.23 O ATOM 1118 CB ASN A 72 4.215 -18.347 -15.154 1.00 24.32 C ATOM 1119 CG ASN A 72 3.580 -19.597 -14.577 1.00 34.34 C ATOM 1120 OD1 ASN A 72 4.189 -20.303 -13.772 1.00 41.54 O ATOM 1121 ND2 ASN A 72 2.348 -19.877 -14.986 1.00 72.41 N ATOM 0 H ASN A 72 6.621 -18.641 -14.707 1.00 72.12 H new ATOM 0 HA ASN A 72 4.948 -19.611 -16.732 1.00 12.02 H new ATOM 0 HB2 ASN A 72 4.719 -17.798 -14.358 1.00 24.32 H new ATOM 0 HB3 ASN A 72 3.435 -17.694 -15.546 1.00 24.32 H new ATOM 0 HD21 ASN A 72 1.869 -20.705 -14.632 1.00 72.41 H new ATOM 0 HD22 ASN A 72 1.881 -19.264 -15.654 1.00 72.41 H new ATOM 1128 N PHE A 73 5.981 -16.532 -17.138 1.00 71.52 N ATOM 1129 CA PHE A 73 6.035 -15.421 -18.081 1.00 73.41 C ATOM 1130 C PHE A 73 7.096 -15.666 -19.150 1.00 73.00 C ATOM 1131 O PHE A 73 7.881 -14.775 -19.477 1.00 60.11 O ATOM 1132 CB PHE A 73 6.329 -14.113 -17.344 1.00 61.21 C ATOM 1133 CG PHE A 73 5.264 -13.728 -16.357 1.00 64.40 C ATOM 1134 CD1 PHE A 73 5.172 -14.370 -15.133 1.00 34.43 C ATOM 1135 CD2 PHE A 73 4.356 -12.725 -16.654 1.00 30.22 C ATOM 1136 CE1 PHE A 73 4.193 -14.019 -14.222 1.00 2.51 C ATOM 1137 CE2 PHE A 73 3.376 -12.369 -15.747 1.00 12.21 C ATOM 1138 CZ PHE A 73 3.294 -13.017 -14.530 1.00 75.00 C ATOM 0 H PHE A 73 6.606 -16.437 -16.338 1.00 71.52 H new ATOM 0 HA PHE A 73 5.064 -15.344 -18.570 1.00 73.41 H new ATOM 0 HB2 PHE A 73 7.281 -14.206 -16.821 1.00 61.21 H new ATOM 0 HB3 PHE A 73 6.443 -13.312 -18.074 1.00 61.21 H new ATOM 0 HD1 PHE A 73 5.873 -15.154 -14.887 1.00 34.43 H new ATOM 0 HD2 PHE A 73 4.415 -12.216 -17.605 1.00 30.22 H new ATOM 0 HE1 PHE A 73 4.131 -14.528 -13.271 1.00 2.51 H new ATOM 0 HE2 PHE A 73 2.675 -11.584 -15.990 1.00 12.21 H new ATOM 0 HZ PHE A 73 2.528 -12.741 -13.820 1.00 75.00 H new ATOM 1148 N LEU A 74 7.113 -16.879 -19.691 1.00 24.35 N ATOM 1149 CA LEU A 74 8.078 -17.243 -20.723 1.00 30.23 C ATOM 1150 C LEU A 74 7.631 -16.733 -22.089 1.00 65.42 C ATOM 1151 O LEU A 74 8.453 -16.329 -22.913 1.00 22.13 O ATOM 1152 CB LEU A 74 8.260 -18.761 -20.766 1.00 74.44 C ATOM 1153 CG LEU A 74 9.353 -19.280 -21.702 1.00 14.05 C ATOM 1154 CD1 LEU A 74 9.885 -20.617 -21.210 1.00 61.24 C ATOM 1155 CD2 LEU A 74 8.824 -19.404 -23.123 1.00 33.00 C ATOM 0 H LEU A 74 6.470 -17.627 -19.432 1.00 24.35 H new ATOM 0 HA LEU A 74 9.032 -16.777 -20.476 1.00 30.23 H new ATOM 0 HB2 LEU A 74 8.478 -19.109 -19.757 1.00 74.44 H new ATOM 0 HB3 LEU A 74 7.313 -19.212 -21.061 1.00 74.44 H new ATOM 0 HG LEU A 74 10.174 -18.563 -21.704 1.00 14.05 H new ATOM 0 HD11 LEU A 74 10.662 -20.971 -21.888 1.00 61.24 H new ATOM 0 HD12 LEU A 74 10.303 -20.497 -20.210 1.00 61.24 H new ATOM 0 HD13 LEU A 74 9.072 -21.343 -21.179 1.00 61.24 H new ATOM 0 HD21 LEU A 74 9.615 -19.775 -23.775 1.00 33.00 H new ATOM 0 HD22 LEU A 74 7.985 -20.099 -23.139 1.00 33.00 H new ATOM 0 HD23 LEU A 74 8.492 -18.427 -23.474 1.00 33.00 H new ATOM 1167 N THR A 75 6.323 -16.753 -22.324 1.00 60.31 N ATOM 1168 CA THR A 75 5.767 -16.292 -23.590 1.00 34.52 C ATOM 1169 C THR A 75 4.773 -15.157 -23.373 1.00 32.23 C ATOM 1170 O THR A 75 4.704 -14.219 -24.166 1.00 20.23 O ATOM 1171 CB THR A 75 5.064 -17.437 -24.345 1.00 4.03 C ATOM 1172 OG1 THR A 75 4.326 -16.912 -25.454 1.00 3.03 O ATOM 1173 CG2 THR A 75 4.127 -18.200 -23.421 1.00 1.44 C ATOM 0 H THR A 75 5.629 -17.084 -21.654 1.00 60.31 H new ATOM 0 HA THR A 75 6.603 -15.930 -24.189 1.00 34.52 H new ATOM 0 HB THR A 75 5.827 -18.124 -24.710 1.00 4.03 H new ATOM 0 HG1 THR A 75 3.884 -17.646 -25.929 1.00 3.03 H new ATOM 0 HG21 THR A 75 3.642 -19.003 -23.976 1.00 1.44 H new ATOM 0 HG22 THR A 75 4.697 -18.623 -22.594 1.00 1.44 H new ATOM 0 HG23 THR A 75 3.369 -17.521 -23.030 1.00 1.44 H new ATOM 1181 N GLY A 76 4.004 -15.248 -22.292 1.00 33.42 N ATOM 1182 CA GLY A 76 3.024 -14.221 -21.990 1.00 31.43 C ATOM 1183 C GLY A 76 1.600 -14.726 -22.109 1.00 75.00 C ATOM 1184 O GLY A 76 0.789 -14.150 -22.835 1.00 52.10 O ATOM 0 H GLY A 76 4.042 -16.015 -21.620 1.00 33.42 H new ATOM 0 HA2 GLY A 76 3.191 -13.850 -20.979 1.00 31.43 H new ATOM 0 HA3 GLY A 76 3.165 -13.378 -22.667 1.00 31.43 H new ATOM 1188 N ILE A 77 1.294 -15.805 -21.397 1.00 23.34 N ATOM 1189 CA ILE A 77 -0.042 -16.387 -21.427 1.00 22.22 C ATOM 1190 C ILE A 77 -0.471 -16.850 -20.039 1.00 15.33 C ATOM 1191 O ILE A 77 -1.338 -16.242 -19.411 1.00 24.11 O ATOM 1192 CB ILE A 77 -0.115 -17.580 -22.398 1.00 44.15 C ATOM 1193 CG1 ILE A 77 0.327 -17.152 -23.800 1.00 11.04 C ATOM 1194 CG2 ILE A 77 -1.525 -18.150 -22.433 1.00 23.05 C ATOM 1195 CD1 ILE A 77 0.546 -18.312 -24.745 1.00 33.51 C ATOM 0 H ILE A 77 1.954 -16.294 -20.792 1.00 23.34 H new ATOM 0 HA ILE A 77 -0.719 -15.605 -21.773 1.00 22.22 H new ATOM 0 HB ILE A 77 0.562 -18.358 -22.045 1.00 44.15 H new ATOM 0 HG12 ILE A 77 -0.426 -16.487 -24.222 1.00 11.04 H new ATOM 0 HG13 ILE A 77 1.251 -16.578 -23.722 1.00 11.04 H new ATOM 0 HG21 ILE A 77 -1.560 -18.992 -23.124 1.00 23.05 H new ATOM 0 HG22 ILE A 77 -1.806 -18.487 -21.435 1.00 23.05 H new ATOM 0 HG23 ILE A 77 -2.221 -17.379 -22.765 1.00 23.05 H new ATOM 0 HD11 ILE A 77 0.857 -17.934 -25.719 1.00 33.51 H new ATOM 0 HD12 ILE A 77 1.321 -18.966 -24.345 1.00 33.51 H new ATOM 0 HD13 ILE A 77 -0.382 -18.873 -24.853 1.00 33.51 H new ATOM 1207 N GLY A 78 0.142 -17.930 -19.564 1.00 43.33 N ATOM 1208 CA GLY A 78 -0.189 -18.455 -18.253 1.00 3.25 C ATOM 1209 C GLY A 78 0.312 -17.568 -17.130 1.00 12.22 C ATOM 1210 O GLY A 78 1.364 -17.829 -16.546 1.00 42.42 O ATOM 0 H GLY A 78 0.862 -18.451 -20.064 1.00 43.33 H new ATOM 0 HA2 GLY A 78 -1.270 -18.564 -18.171 1.00 3.25 H new ATOM 0 HA3 GLY A 78 0.241 -19.451 -18.145 1.00 3.25 H new ATOM 1214 N ILE A 79 -0.442 -16.516 -16.828 1.00 34.43 N ATOM 1215 CA ILE A 79 -0.069 -15.588 -15.768 1.00 25.00 C ATOM 1216 C ILE A 79 -0.931 -15.793 -14.528 1.00 34.34 C ATOM 1217 O ILE A 79 -0.435 -15.759 -13.402 1.00 52.41 O ATOM 1218 CB ILE A 79 -0.195 -14.125 -16.231 1.00 41.40 C ATOM 1219 CG1 ILE A 79 0.713 -13.868 -17.435 1.00 41.25 C ATOM 1220 CG2 ILE A 79 0.147 -13.177 -15.091 1.00 43.01 C ATOM 1221 CD1 ILE A 79 0.523 -12.501 -18.055 1.00 0.12 C ATOM 0 H ILE A 79 -1.315 -16.285 -17.303 1.00 34.43 H new ATOM 0 HA ILE A 79 0.972 -15.794 -15.521 1.00 25.00 H new ATOM 0 HB ILE A 79 -1.227 -13.943 -16.532 1.00 41.40 H new ATOM 0 HG12 ILE A 79 1.752 -13.976 -17.125 1.00 41.25 H new ATOM 0 HG13 ILE A 79 0.525 -14.630 -18.191 1.00 41.25 H new ATOM 0 HG21 ILE A 79 0.053 -12.147 -15.434 1.00 43.01 H new ATOM 0 HG22 ILE A 79 -0.537 -13.346 -14.259 1.00 43.01 H new ATOM 0 HG23 ILE A 79 1.170 -13.358 -14.762 1.00 43.01 H new ATOM 0 HD11 ILE A 79 1.199 -12.389 -18.903 1.00 0.12 H new ATOM 0 HD12 ILE A 79 -0.507 -12.396 -18.396 1.00 0.12 H new ATOM 0 HD13 ILE A 79 0.740 -11.732 -17.314 1.00 0.12 H new ATOM 1233 N GLU A 80 -2.225 -16.009 -14.743 1.00 15.14 N ATOM 1234 CA GLU A 80 -3.157 -16.221 -13.641 1.00 72.01 C ATOM 1235 C GLU A 80 -2.649 -17.310 -12.700 1.00 43.34 C ATOM 1236 O GLU A 80 -2.870 -17.252 -11.491 1.00 75.24 O ATOM 1237 CB GLU A 80 -4.539 -16.600 -14.178 1.00 62.33 C ATOM 1238 CG GLU A 80 -4.610 -18.015 -14.729 1.00 54.43 C ATOM 1239 CD GLU A 80 -3.748 -18.205 -15.962 1.00 4.04 C ATOM 1240 OE1 GLU A 80 -3.827 -17.361 -16.879 1.00 34.44 O ATOM 1241 OE2 GLU A 80 -2.992 -19.198 -16.008 1.00 61.42 O ATOM 0 H GLU A 80 -2.652 -16.042 -15.669 1.00 15.14 H new ATOM 0 HA GLU A 80 -3.235 -15.289 -13.081 1.00 72.01 H new ATOM 0 HB2 GLU A 80 -5.272 -16.493 -13.379 1.00 62.33 H new ATOM 0 HB3 GLU A 80 -4.819 -15.898 -14.964 1.00 62.33 H new ATOM 0 HG2 GLU A 80 -4.294 -18.717 -13.958 1.00 54.43 H new ATOM 0 HG3 GLU A 80 -5.645 -18.254 -14.973 1.00 54.43 H new ATOM 1248 N GLU A 81 -1.966 -18.301 -13.266 1.00 14.24 N ATOM 1249 CA GLU A 81 -1.428 -19.403 -12.478 1.00 21.24 C ATOM 1250 C GLU A 81 -0.562 -18.882 -11.334 1.00 61.41 C ATOM 1251 O GLU A 81 -0.880 -19.076 -10.160 1.00 55.52 O ATOM 1252 CB GLU A 81 -0.609 -20.342 -13.366 1.00 4.22 C ATOM 1253 CG GLU A 81 -0.676 -21.798 -12.938 1.00 20.14 C ATOM 1254 CD GLU A 81 -0.541 -22.756 -14.105 1.00 72.31 C ATOM 1255 OE1 GLU A 81 -1.309 -22.617 -15.080 1.00 1.42 O ATOM 1256 OE2 GLU A 81 0.333 -23.646 -14.044 1.00 21.15 O ATOM 0 H GLU A 81 -1.773 -18.363 -14.266 1.00 14.24 H new ATOM 0 HA GLU A 81 -2.266 -19.956 -12.053 1.00 21.24 H new ATOM 0 HB2 GLU A 81 -0.963 -20.258 -14.393 1.00 4.22 H new ATOM 0 HB3 GLU A 81 0.432 -20.018 -13.360 1.00 4.22 H new ATOM 0 HG2 GLU A 81 0.116 -21.997 -12.216 1.00 20.14 H new ATOM 0 HG3 GLU A 81 -1.623 -21.980 -12.431 1.00 20.14 H new ATOM 1263 N THR A 82 0.537 -18.221 -11.685 1.00 55.22 N ATOM 1264 CA THR A 82 1.450 -17.673 -10.690 1.00 70.53 C ATOM 1265 C THR A 82 0.826 -16.486 -9.966 1.00 24.25 C ATOM 1266 O THR A 82 1.052 -16.285 -8.772 1.00 24.40 O ATOM 1267 CB THR A 82 2.778 -17.229 -11.331 1.00 63.13 C ATOM 1268 OG1 THR A 82 3.328 -18.297 -12.111 1.00 33.44 O ATOM 1269 CG2 THR A 82 3.778 -16.805 -10.266 1.00 62.40 C ATOM 0 H THR A 82 0.816 -18.052 -12.651 1.00 55.22 H new ATOM 0 HA THR A 82 1.650 -18.468 -9.972 1.00 70.53 H new ATOM 0 HB THR A 82 2.576 -16.375 -11.977 1.00 63.13 H new ATOM 0 HG1 THR A 82 4.286 -18.142 -12.249 1.00 33.44 H new ATOM 0 HG21 THR A 82 4.708 -16.496 -10.743 1.00 62.40 H new ATOM 0 HG22 THR A 82 3.369 -15.972 -9.694 1.00 62.40 H new ATOM 0 HG23 THR A 82 3.974 -17.643 -9.597 1.00 62.40 H new ATOM 1277 N LYS A 83 0.040 -15.701 -10.694 1.00 34.33 N ATOM 1278 CA LYS A 83 -0.619 -14.534 -10.120 1.00 54.13 C ATOM 1279 C LYS A 83 -1.366 -14.903 -8.842 1.00 62.34 C ATOM 1280 O LYS A 83 -1.342 -14.159 -7.863 1.00 15.22 O ATOM 1281 CB LYS A 83 -1.591 -13.923 -11.132 1.00 40.44 C ATOM 1282 CG LYS A 83 -1.914 -12.464 -10.861 1.00 14.35 C ATOM 1283 CD LYS A 83 -2.047 -11.672 -12.151 1.00 5.03 C ATOM 1284 CE LYS A 83 -3.505 -11.471 -12.534 1.00 45.15 C ATOM 1285 NZ LYS A 83 -4.092 -12.697 -13.143 1.00 11.35 N ATOM 0 H LYS A 83 -0.156 -15.852 -11.683 1.00 34.33 H new ATOM 0 HA LYS A 83 0.148 -13.801 -9.872 1.00 54.13 H new ATOM 0 HB2 LYS A 83 -1.165 -14.013 -12.132 1.00 40.44 H new ATOM 0 HB3 LYS A 83 -2.517 -14.498 -11.127 1.00 40.44 H new ATOM 0 HG2 LYS A 83 -2.842 -12.395 -10.294 1.00 14.35 H new ATOM 0 HG3 LYS A 83 -1.130 -12.026 -10.243 1.00 14.35 H new ATOM 0 HD2 LYS A 83 -1.563 -10.702 -12.035 1.00 5.03 H new ATOM 0 HD3 LYS A 83 -1.527 -12.194 -12.955 1.00 5.03 H new ATOM 0 HE2 LYS A 83 -4.078 -11.195 -11.649 1.00 45.15 H new ATOM 0 HE3 LYS A 83 -3.585 -10.642 -13.237 1.00 45.15 H new ATOM 0 HZ1 LYS A 83 -5.040 -12.481 -13.513 1.00 11.35 H new ATOM 0 HZ2 LYS A 83 -3.483 -13.024 -13.920 1.00 11.35 H new ATOM 0 HZ3 LYS A 83 -4.164 -13.443 -12.422 1.00 11.35 H new ATOM 1299 N GLN A 84 -2.025 -16.057 -8.860 1.00 71.21 N ATOM 1300 CA GLN A 84 -2.777 -16.525 -7.702 1.00 13.53 C ATOM 1301 C GLN A 84 -1.852 -16.767 -6.514 1.00 31.32 C ATOM 1302 O GLN A 84 -2.231 -16.541 -5.365 1.00 23.52 O ATOM 1303 CB GLN A 84 -3.535 -17.808 -8.043 1.00 75.35 C ATOM 1304 CG GLN A 84 -4.938 -17.563 -8.576 1.00 31.13 C ATOM 1305 CD GLN A 84 -5.951 -17.337 -7.470 1.00 64.42 C ATOM 1306 OE1 GLN A 84 -6.587 -16.286 -7.401 1.00 13.30 O ATOM 1307 NE2 GLN A 84 -6.105 -18.326 -6.598 1.00 32.44 N ATOM 0 H GLN A 84 -2.053 -16.685 -9.663 1.00 71.21 H new ATOM 0 HA GLN A 84 -3.494 -15.750 -7.429 1.00 13.53 H new ATOM 0 HB2 GLN A 84 -2.967 -18.370 -8.784 1.00 75.35 H new ATOM 0 HB3 GLN A 84 -3.598 -18.431 -7.151 1.00 75.35 H new ATOM 0 HG2 GLN A 84 -4.926 -16.695 -9.235 1.00 31.13 H new ATOM 0 HG3 GLN A 84 -5.248 -18.417 -9.179 1.00 31.13 H new ATOM 0 HE21 GLN A 84 -5.556 -19.180 -6.694 1.00 32.44 H new ATOM 0 HE22 GLN A 84 -6.772 -18.232 -5.832 1.00 32.44 H new ATOM 1316 N GLN A 85 -0.639 -17.229 -6.800 1.00 2.35 N ATOM 1317 CA GLN A 85 0.339 -17.503 -5.754 1.00 5.13 C ATOM 1318 C GLN A 85 0.804 -16.211 -5.090 1.00 52.42 C ATOM 1319 O GLN A 85 0.822 -16.103 -3.864 1.00 23.33 O ATOM 1320 CB GLN A 85 1.540 -18.253 -6.333 1.00 43.43 C ATOM 1321 CG GLN A 85 1.163 -19.525 -7.075 1.00 21.15 C ATOM 1322 CD GLN A 85 0.209 -20.399 -6.285 1.00 73.22 C ATOM 1323 OE1 GLN A 85 0.631 -21.241 -5.492 1.00 63.12 O ATOM 1324 NE2 GLN A 85 -1.087 -20.204 -6.498 1.00 53.33 N ATOM 0 H GLN A 85 -0.310 -17.421 -7.746 1.00 2.35 H new ATOM 0 HA GLN A 85 -0.140 -18.126 -4.999 1.00 5.13 H new ATOM 0 HB2 GLN A 85 2.078 -17.592 -7.013 1.00 43.43 H new ATOM 0 HB3 GLN A 85 2.226 -18.504 -5.524 1.00 43.43 H new ATOM 0 HG2 GLN A 85 0.705 -19.263 -8.029 1.00 21.15 H new ATOM 0 HG3 GLN A 85 2.067 -20.091 -7.301 1.00 21.15 H new ATOM 0 HE21 GLN A 85 -1.393 -19.495 -7.164 1.00 53.33 H new ATOM 0 HE22 GLN A 85 -1.776 -20.763 -5.995 1.00 53.33 H new ATOM 1333 N ILE A 86 1.178 -15.233 -5.908 1.00 42.23 N ATOM 1334 CA ILE A 86 1.642 -13.948 -5.400 1.00 53.30 C ATOM 1335 C ILE A 86 0.503 -13.173 -4.745 1.00 45.52 C ATOM 1336 O ILE A 86 0.644 -12.664 -3.632 1.00 35.20 O ATOM 1337 CB ILE A 86 2.256 -13.088 -6.520 1.00 53.43 C ATOM 1338 CG1 ILE A 86 3.428 -13.823 -7.174 1.00 13.04 C ATOM 1339 CG2 ILE A 86 2.708 -11.744 -5.969 1.00 11.32 C ATOM 1340 CD1 ILE A 86 3.342 -13.876 -8.683 1.00 10.21 C ATOM 0 H ILE A 86 1.169 -15.306 -6.925 1.00 42.23 H new ATOM 0 HA ILE A 86 2.409 -14.161 -4.656 1.00 53.30 H new ATOM 0 HB ILE A 86 1.494 -12.910 -7.279 1.00 53.43 H new ATOM 0 HG12 ILE A 86 4.359 -13.333 -6.888 1.00 13.04 H new ATOM 0 HG13 ILE A 86 3.471 -14.840 -6.785 1.00 13.04 H new ATOM 0 HG21 ILE A 86 3.140 -11.148 -6.773 1.00 11.32 H new ATOM 0 HG22 ILE A 86 1.852 -11.218 -5.546 1.00 11.32 H new ATOM 0 HG23 ILE A 86 3.456 -11.902 -5.192 1.00 11.32 H new ATOM 0 HD11 ILE A 86 4.205 -14.411 -9.078 1.00 10.21 H new ATOM 0 HD12 ILE A 86 2.429 -14.393 -8.977 1.00 10.21 H new ATOM 0 HD13 ILE A 86 3.330 -12.862 -9.083 1.00 10.21 H new ATOM 1352 N LEU A 87 -0.624 -13.087 -5.442 1.00 72.11 N ATOM 1353 CA LEU A 87 -1.789 -12.375 -4.928 1.00 33.30 C ATOM 1354 C LEU A 87 -2.147 -12.857 -3.526 1.00 24.05 C ATOM 1355 O LEU A 87 -2.641 -12.089 -2.700 1.00 1.52 O ATOM 1356 CB LEU A 87 -2.983 -12.567 -5.865 1.00 50.10 C ATOM 1357 CG LEU A 87 -4.114 -11.548 -5.728 1.00 14.51 C ATOM 1358 CD1 LEU A 87 -3.610 -10.146 -6.035 1.00 12.14 C ATOM 1359 CD2 LEU A 87 -5.274 -11.911 -6.644 1.00 31.45 C ATOM 0 H LEU A 87 -0.756 -13.501 -6.365 1.00 72.11 H new ATOM 0 HA LEU A 87 -1.542 -11.315 -4.876 1.00 33.30 H new ATOM 0 HB2 LEU A 87 -2.621 -12.542 -6.893 1.00 50.10 H new ATOM 0 HB3 LEU A 87 -3.395 -13.562 -5.697 1.00 50.10 H new ATOM 0 HG LEU A 87 -4.470 -11.567 -4.698 1.00 14.51 H new ATOM 0 HD11 LEU A 87 -4.429 -9.434 -5.932 1.00 12.14 H new ATOM 0 HD12 LEU A 87 -2.813 -9.885 -5.338 1.00 12.14 H new ATOM 0 HD13 LEU A 87 -3.226 -10.113 -7.055 1.00 12.14 H new ATOM 0 HD21 LEU A 87 -6.070 -11.174 -6.533 1.00 31.45 H new ATOM 0 HD22 LEU A 87 -4.931 -11.921 -7.679 1.00 31.45 H new ATOM 0 HD23 LEU A 87 -5.653 -12.898 -6.377 1.00 31.45 H new ATOM 1371 N THR A 88 -1.891 -14.135 -3.261 1.00 55.22 N ATOM 1372 CA THR A 88 -2.185 -14.719 -1.959 1.00 21.22 C ATOM 1373 C THR A 88 -1.630 -13.856 -0.831 1.00 72.23 C ATOM 1374 O THR A 88 -2.200 -13.802 0.258 1.00 24.31 O ATOM 1375 CB THR A 88 -1.603 -16.140 -1.837 1.00 24.04 C ATOM 1376 OG1 THR A 88 -2.202 -17.001 -2.812 1.00 4.42 O ATOM 1377 CG2 THR A 88 -1.838 -16.703 -0.443 1.00 62.21 C ATOM 0 H THR A 88 -1.481 -14.785 -3.932 1.00 55.22 H new ATOM 0 HA THR A 88 -3.270 -14.770 -1.873 1.00 21.22 H new ATOM 0 HB THR A 88 -0.529 -16.085 -2.013 1.00 24.04 H new ATOM 0 HG1 THR A 88 -1.839 -16.793 -3.698 1.00 4.42 H new ATOM 0 HG21 THR A 88 -1.419 -17.707 -0.381 1.00 62.21 H new ATOM 0 HG22 THR A 88 -1.355 -16.062 0.295 1.00 62.21 H new ATOM 0 HG23 THR A 88 -2.909 -16.744 -0.243 1.00 62.21 H new ATOM 1385 N GLU A 89 -0.517 -13.182 -1.101 1.00 65.31 N ATOM 1386 CA GLU A 89 0.114 -12.322 -0.107 1.00 43.44 C ATOM 1387 C GLU A 89 0.061 -10.860 -0.542 1.00 3.44 C ATOM 1388 O GLU A 89 -0.017 -9.955 0.291 1.00 74.21 O ATOM 1389 CB GLU A 89 1.567 -12.746 0.118 1.00 1.55 C ATOM 1390 CG GLU A 89 2.402 -12.756 -1.151 1.00 23.32 C ATOM 1391 CD GLU A 89 3.833 -13.195 -0.904 1.00 73.12 C ATOM 1392 OE1 GLU A 89 4.612 -12.392 -0.349 1.00 15.11 O ATOM 1393 OE2 GLU A 89 4.173 -14.340 -1.266 1.00 64.52 O ATOM 0 H GLU A 89 -0.034 -13.215 -1.999 1.00 65.31 H new ATOM 0 HA GLU A 89 -0.436 -12.426 0.828 1.00 43.44 H new ATOM 0 HB2 GLU A 89 2.026 -12.070 0.840 1.00 1.55 H new ATOM 0 HB3 GLU A 89 1.582 -13.742 0.560 1.00 1.55 H new ATOM 0 HG2 GLU A 89 1.942 -13.424 -1.879 1.00 23.32 H new ATOM 0 HG3 GLU A 89 2.402 -11.758 -1.589 1.00 23.32 H new ATOM 1400 N LEU A 90 0.106 -10.636 -1.850 1.00 55.52 N ATOM 1401 CA LEU A 90 0.063 -9.284 -2.397 1.00 1.31 C ATOM 1402 C LEU A 90 -1.098 -8.493 -1.804 1.00 13.45 C ATOM 1403 O LEU A 90 -0.941 -7.332 -1.425 1.00 33.32 O ATOM 1404 CB LEU A 90 -0.064 -9.332 -3.921 1.00 24.25 C ATOM 1405 CG LEU A 90 0.787 -8.327 -4.697 1.00 41.41 C ATOM 1406 CD1 LEU A 90 2.263 -8.522 -4.385 1.00 15.22 C ATOM 1407 CD2 LEU A 90 0.535 -8.457 -6.192 1.00 53.32 C ATOM 0 H LEU A 90 0.172 -11.373 -2.552 1.00 55.52 H new ATOM 0 HA LEU A 90 0.994 -8.782 -2.132 1.00 1.31 H new ATOM 0 HB2 LEU A 90 0.199 -10.335 -4.256 1.00 24.25 H new ATOM 0 HB3 LEU A 90 -1.110 -9.172 -4.184 1.00 24.25 H new ATOM 0 HG LEU A 90 0.501 -7.322 -4.386 1.00 41.41 H new ATOM 0 HD11 LEU A 90 2.852 -7.797 -4.947 1.00 15.22 H new ATOM 0 HD12 LEU A 90 2.431 -8.377 -3.318 1.00 15.22 H new ATOM 0 HD13 LEU A 90 2.564 -9.531 -4.666 1.00 15.22 H new ATOM 0 HD21 LEU A 90 1.149 -7.734 -6.729 1.00 53.32 H new ATOM 0 HD22 LEU A 90 0.792 -9.465 -6.518 1.00 53.32 H new ATOM 0 HD23 LEU A 90 -0.517 -8.266 -6.402 1.00 53.32 H new ATOM 1419 N GLN A 91 -2.262 -9.129 -1.724 1.00 72.55 N ATOM 1420 CA GLN A 91 -3.449 -8.485 -1.175 1.00 73.05 C ATOM 1421 C GLN A 91 -4.001 -9.276 0.006 1.00 4.45 C ATOM 1422 O GLN A 91 -4.514 -8.701 0.966 1.00 14.24 O ATOM 1423 CB GLN A 91 -4.524 -8.343 -2.255 1.00 22.20 C ATOM 1424 CG GLN A 91 -4.884 -9.656 -2.931 1.00 32.32 C ATOM 1425 CD GLN A 91 -5.943 -10.432 -2.172 1.00 54.44 C ATOM 1426 OE1 GLN A 91 -6.690 -9.866 -1.373 1.00 40.00 O ATOM 1427 NE2 GLN A 91 -6.014 -11.734 -2.419 1.00 74.35 N ATOM 0 H GLN A 91 -2.408 -10.090 -2.033 1.00 72.55 H new ATOM 0 HA GLN A 91 -3.163 -7.494 -0.823 1.00 73.05 H new ATOM 0 HB2 GLN A 91 -5.422 -7.916 -1.808 1.00 22.20 H new ATOM 0 HB3 GLN A 91 -4.177 -7.638 -3.011 1.00 22.20 H new ATOM 0 HG2 GLN A 91 -5.241 -9.454 -3.941 1.00 32.32 H new ATOM 0 HG3 GLN A 91 -3.988 -10.269 -3.026 1.00 32.32 H new ATOM 0 HE21 GLN A 91 -5.375 -12.162 -3.089 1.00 74.35 H new ATOM 0 HE22 GLN A 91 -6.708 -12.307 -1.939 1.00 74.35 H new ATOM 1436 N LYS A 92 -3.891 -10.598 -0.070 1.00 2.44 N ATOM 1437 CA LYS A 92 -4.377 -11.469 0.994 1.00 51.32 C ATOM 1438 C LYS A 92 -3.248 -11.844 1.949 1.00 53.14 C ATOM 1439 O LYS A 92 -3.473 -12.042 3.143 1.00 65.21 O ATOM 1440 CB LYS A 92 -4.999 -12.735 0.400 1.00 40.42 C ATOM 1441 CG LYS A 92 -5.295 -13.809 1.432 1.00 11.31 C ATOM 1442 CD LYS A 92 -6.166 -14.912 0.855 1.00 64.24 C ATOM 1443 CE LYS A 92 -5.345 -15.901 0.040 1.00 12.41 C ATOM 1444 NZ LYS A 92 -6.206 -16.904 -0.646 1.00 12.43 N ATOM 0 H LYS A 92 -3.469 -11.090 -0.858 1.00 2.44 H new ATOM 0 HA LYS A 92 -5.138 -10.926 1.555 1.00 51.32 H new ATOM 0 HB2 LYS A 92 -5.924 -12.470 -0.111 1.00 40.42 H new ATOM 0 HB3 LYS A 92 -4.324 -13.142 -0.353 1.00 40.42 H new ATOM 0 HG2 LYS A 92 -4.359 -14.235 1.794 1.00 11.31 H new ATOM 0 HG3 LYS A 92 -5.795 -13.361 2.291 1.00 11.31 H new ATOM 0 HD2 LYS A 92 -6.673 -15.438 1.664 1.00 64.24 H new ATOM 0 HD3 LYS A 92 -6.940 -14.474 0.225 1.00 64.24 H new ATOM 0 HE2 LYS A 92 -4.756 -15.360 -0.701 1.00 12.41 H new ATOM 0 HE3 LYS A 92 -4.640 -16.414 0.694 1.00 12.41 H new ATOM 0 HZ1 LYS A 92 -5.609 -17.559 -1.190 1.00 12.43 H new ATOM 0 HZ2 LYS A 92 -6.749 -17.438 0.062 1.00 12.43 H new ATOM 0 HZ3 LYS A 92 -6.861 -16.417 -1.290 1.00 12.43 H new TER 1458 LYS A 92