USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 932 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 56 THR OG1 : rot 72:sc= 0.827 USER MOD Set 1.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 27 GLN : amide:sc= 0.418 K(o=0.83,f=-1.5) USER MOD Set 2.2: A 43 HIS : no HD1:sc= 0.161 K(o=0.83,f=0.16) USER MOD Set 2.3: A 47 CYS SG : rot 119:sc= 0.256 USER MOD Single : A 1 GLY N :NH3+ -93:sc= 0.0584 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0142 K(o=-0.014,f=-0.93) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 66:sc= 0.495 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 160:sc= -0.531 (180deg=-1.81) USER MOD Single : A 22 LYS NZ :NH3+ 157:sc= -0.35 (180deg=-1.06) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.458 K(o=-0.46,f=-1.8) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HE2:sc= -0.338 K(o=-0.34,f=-2.1) USER MOD Single : A 58 CYS SG : rot 180:sc= -1.06 USER MOD Single : A 60 LYS NZ :NH3+ 145:sc= 1.25 (180deg=0.596) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0.00699 X(o=0.007,f=-0.3) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.448 F(o=-1.3,f=-0.45) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.26 K(o=0.26,f=-0.99) USER MOD Single : A 80 SER OG : rot 28:sc= 0.245 USER MOD Single : A 81 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0196) USER MOD Single : A 83 THR OG1 : rot 93:sc= 1.29 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc=-0.00927 X(o=-0.0093,f=-0.014) USER MOD Single : A 92 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0463) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HE2:sc= -0.944 K(o=-0.94,f=-3.2!) USER MOD Single : A 99 LYS NZ :NH3+ -156:sc= -0.0839 (180deg=-0.932) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.963 -8.622 -5.859 1.00 1.25 N ATOM 2 CA GLY A 1 -18.867 -7.443 -6.741 1.00 24.31 C ATOM 3 C GLY A 1 -18.205 -7.789 -8.066 1.00 74.41 C ATOM 4 O GLY A 1 -17.439 -8.748 -8.121 1.00 72.14 O ATOM 0 H1 GLY A 1 -19.884 -9.085 -5.997 1.00 1.25 H new ATOM 0 H2 GLY A 1 -18.201 -9.291 -6.090 1.00 1.25 H new ATOM 0 H3 GLY A 1 -18.872 -8.322 -4.867 1.00 1.25 H new ATOM 0 HA2 GLY A 1 -19.864 -7.043 -6.925 1.00 24.31 H new ATOM 0 HA3 GLY A 1 -18.297 -6.660 -6.242 1.00 24.31 H new ATOM 8 N PRO A 2 -18.451 -7.022 -9.144 1.00 21.13 N ATOM 9 CA PRO A 2 -18.342 -7.512 -10.515 1.00 33.10 C ATOM 10 C PRO A 2 -16.938 -7.988 -10.896 1.00 31.23 C ATOM 11 O PRO A 2 -16.789 -9.134 -11.305 1.00 32.32 O ATOM 12 CB PRO A 2 -18.866 -6.386 -11.411 1.00 20.42 C ATOM 13 CG PRO A 2 -18.749 -5.137 -10.541 1.00 53.34 C ATOM 14 CD PRO A 2 -18.992 -5.674 -9.131 1.00 51.34 C ATOM 0 HA PRO A 2 -18.938 -8.416 -10.640 1.00 33.10 H new ATOM 0 HB2 PRO A 2 -18.276 -6.294 -12.323 1.00 20.42 H new ATOM 0 HB3 PRO A 2 -19.897 -6.565 -11.715 1.00 20.42 H new ATOM 0 HG2 PRO A 2 -17.767 -4.673 -10.632 1.00 53.34 H new ATOM 0 HG3 PRO A 2 -19.485 -4.382 -10.818 1.00 53.34 H new ATOM 0 HD2 PRO A 2 -18.495 -5.057 -8.382 1.00 51.34 H new ATOM 0 HD3 PRO A 2 -20.054 -5.677 -8.888 1.00 51.34 H new ATOM 22 N LEU A 3 -15.890 -7.170 -10.745 1.00 33.52 N ATOM 23 CA LEU A 3 -14.509 -7.585 -11.038 1.00 53.12 C ATOM 24 C LEU A 3 -13.856 -8.300 -9.837 1.00 21.41 C ATOM 25 O LEU A 3 -12.635 -8.497 -9.814 1.00 21.53 O ATOM 26 CB LEU A 3 -13.680 -6.389 -11.552 1.00 51.24 C ATOM 27 CG LEU A 3 -13.902 -6.106 -13.056 1.00 72.34 C ATOM 28 CD1 LEU A 3 -15.147 -5.251 -13.326 1.00 44.30 C ATOM 29 CD2 LEU A 3 -12.674 -5.427 -13.672 1.00 70.30 C ATOM 0 H LEU A 3 -15.972 -6.207 -10.418 1.00 33.52 H new ATOM 0 HA LEU A 3 -14.536 -8.323 -11.840 1.00 53.12 H new ATOM 0 HB2 LEU A 3 -13.940 -5.500 -10.978 1.00 51.24 H new ATOM 0 HB3 LEU A 3 -12.622 -6.584 -11.376 1.00 51.24 H new ATOM 0 HG LEU A 3 -14.061 -7.077 -13.525 1.00 72.34 H new ATOM 0 HD11 LEU A 3 -15.250 -5.086 -14.399 1.00 44.30 H new ATOM 0 HD12 LEU A 3 -16.031 -5.767 -12.952 1.00 44.30 H new ATOM 0 HD13 LEU A 3 -15.046 -4.291 -12.820 1.00 44.30 H new ATOM 0 HD21 LEU A 3 -12.855 -5.239 -14.730 1.00 70.30 H new ATOM 0 HD22 LEU A 3 -12.487 -4.482 -13.162 1.00 70.30 H new ATOM 0 HD23 LEU A 3 -11.806 -6.077 -13.563 1.00 70.30 H new ATOM 41 N GLY A 4 -14.652 -8.690 -8.839 1.00 55.33 N ATOM 42 CA GLY A 4 -14.247 -8.861 -7.454 1.00 41.35 C ATOM 43 C GLY A 4 -14.354 -7.504 -6.763 1.00 40.13 C ATOM 44 O GLY A 4 -14.186 -6.460 -7.401 1.00 43.23 O ATOM 0 H GLY A 4 -15.638 -8.903 -8.987 1.00 55.33 H new ATOM 0 HA2 GLY A 4 -14.884 -9.593 -6.958 1.00 41.35 H new ATOM 0 HA3 GLY A 4 -13.226 -9.238 -7.399 1.00 41.35 H new ATOM 48 N SER A 5 -14.647 -7.496 -5.465 1.00 42.54 N ATOM 49 CA SER A 5 -14.655 -6.265 -4.680 1.00 3.44 C ATOM 50 C SER A 5 -14.278 -6.538 -3.223 1.00 4.11 C ATOM 51 O SER A 5 -14.753 -5.847 -2.318 1.00 1.13 O ATOM 52 CB SER A 5 -16.009 -5.563 -4.847 1.00 3.10 C ATOM 53 OG SER A 5 -15.792 -4.172 -4.913 1.00 33.13 O ATOM 0 H SER A 5 -14.883 -8.333 -4.932 1.00 42.54 H new ATOM 0 HA SER A 5 -13.891 -5.582 -5.051 1.00 3.44 H new ATOM 0 HB2 SER A 5 -16.506 -5.911 -5.752 1.00 3.10 H new ATOM 0 HB3 SER A 5 -16.665 -5.804 -4.011 1.00 3.10 H new ATOM 0 HG SER A 5 -16.650 -3.712 -5.021 1.00 33.13 H new ATOM 59 N LEU A 6 -13.419 -7.543 -3.018 1.00 13.12 N ATOM 60 CA LEU A 6 -13.071 -8.182 -1.759 1.00 4.11 C ATOM 61 C LEU A 6 -14.323 -8.804 -1.146 1.00 45.43 C ATOM 62 O LEU A 6 -15.232 -8.109 -0.694 1.00 60.30 O ATOM 63 CB LEU A 6 -12.344 -7.201 -0.824 1.00 72.24 C ATOM 64 CG LEU A 6 -11.150 -6.469 -1.472 1.00 35.44 C ATOM 65 CD1 LEU A 6 -10.585 -5.407 -0.532 1.00 4.41 C ATOM 66 CD2 LEU A 6 -10.026 -7.431 -1.853 1.00 61.12 C ATOM 0 H LEU A 6 -12.911 -7.960 -3.798 1.00 13.12 H new ATOM 0 HA LEU A 6 -12.362 -8.991 -1.933 1.00 4.11 H new ATOM 0 HB2 LEU A 6 -13.059 -6.460 -0.468 1.00 72.24 H new ATOM 0 HB3 LEU A 6 -11.989 -7.747 0.050 1.00 72.24 H new ATOM 0 HG LEU A 6 -11.533 -5.999 -2.378 1.00 35.44 H new ATOM 0 HD11 LEU A 6 -9.745 -4.906 -1.012 1.00 4.41 H new ATOM 0 HD12 LEU A 6 -11.360 -4.676 -0.301 1.00 4.41 H new ATOM 0 HD13 LEU A 6 -10.247 -5.880 0.390 1.00 4.41 H new ATOM 0 HD21 LEU A 6 -9.207 -6.872 -2.305 1.00 61.12 H new ATOM 0 HD22 LEU A 6 -9.667 -7.943 -0.960 1.00 61.12 H new ATOM 0 HD23 LEU A 6 -10.402 -8.165 -2.566 1.00 61.12 H new ATOM 78 N ASP A 7 -14.415 -10.130 -1.204 1.00 75.13 N ATOM 79 CA ASP A 7 -15.483 -10.915 -0.575 1.00 1.34 C ATOM 80 C ASP A 7 -15.475 -10.729 0.941 1.00 50.11 C ATOM 81 O ASP A 7 -14.524 -10.164 1.475 1.00 25.20 O ATOM 82 CB ASP A 7 -15.298 -12.400 -0.914 1.00 22.15 C ATOM 83 CG ASP A 7 -16.435 -12.911 -1.782 1.00 51.25 C ATOM 84 OD1 ASP A 7 -16.652 -12.319 -2.867 1.00 3.35 O1- ATOM 85 OD2 ASP A 7 -17.138 -13.830 -1.304 1.00 12.54 O ATOM 0 H ASP A 7 -13.735 -10.706 -1.700 1.00 75.13 H new ATOM 0 HA ASP A 7 -16.441 -10.566 -0.960 1.00 1.34 H new ATOM 0 HB2 ASP A 7 -14.349 -12.542 -1.432 1.00 22.15 H new ATOM 0 HB3 ASP A 7 -15.249 -12.982 0.006 1.00 22.15 H new ATOM 90 N GLN A 8 -16.488 -11.228 1.656 1.00 35.03 N ATOM 91 CA GLN A 8 -16.631 -10.985 3.091 1.00 31.00 C ATOM 92 C GLN A 8 -15.364 -11.405 3.841 1.00 15.44 C ATOM 93 O GLN A 8 -14.741 -10.582 4.516 1.00 42.40 O ATOM 94 CB GLN A 8 -17.880 -11.680 3.667 1.00 11.40 C ATOM 95 CG GLN A 8 -18.228 -11.062 5.037 1.00 73.15 C ATOM 96 CD GLN A 8 -18.907 -11.989 6.045 1.00 5.35 C ATOM 97 OE1 GLN A 8 -19.036 -13.195 5.855 1.00 73.41 O ATOM 98 NE2 GLN A 8 -19.283 -11.459 7.200 1.00 23.44 N ATOM 0 H GLN A 8 -17.227 -11.808 1.258 1.00 35.03 H new ATOM 0 HA GLN A 8 -16.769 -9.913 3.232 1.00 31.00 H new ATOM 0 HB2 GLN A 8 -18.720 -11.568 2.982 1.00 11.40 H new ATOM 0 HB3 GLN A 8 -17.697 -12.749 3.774 1.00 11.40 H new ATOM 0 HG2 GLN A 8 -17.309 -10.684 5.485 1.00 73.15 H new ATOM 0 HG3 GLN A 8 -18.878 -10.203 4.870 1.00 73.15 H new ATOM 0 HE21 GLN A 8 -19.177 -10.457 7.360 1.00 23.44 H new ATOM 0 HE22 GLN A 8 -19.679 -12.053 7.929 1.00 23.44 H new ATOM 107 N LYS A 9 -14.975 -12.672 3.678 1.00 54.03 N ATOM 108 CA LYS A 9 -13.765 -13.282 4.221 1.00 31.31 C ATOM 109 C LYS A 9 -12.552 -12.392 3.915 1.00 71.23 C ATOM 110 O LYS A 9 -11.802 -11.992 4.813 1.00 2.24 O ATOM 111 CB LYS A 9 -13.619 -14.667 3.555 1.00 54.31 C ATOM 112 CG LYS A 9 -14.706 -15.706 3.887 1.00 72.00 C ATOM 113 CD LYS A 9 -14.312 -16.663 5.022 1.00 23.34 C ATOM 114 CE LYS A 9 -15.384 -17.744 5.196 1.00 1.24 C ATOM 115 NZ LYS A 9 -16.449 -17.346 6.139 1.00 21.22 N1+ ATOM 0 H LYS A 9 -15.528 -13.334 3.133 1.00 54.03 H new ATOM 0 HA LYS A 9 -13.825 -13.390 5.304 1.00 31.31 H new ATOM 0 HB2 LYS A 9 -13.600 -14.526 2.474 1.00 54.31 H new ATOM 0 HB3 LYS A 9 -12.652 -15.082 3.839 1.00 54.31 H new ATOM 0 HG2 LYS A 9 -15.623 -15.185 4.163 1.00 72.00 H new ATOM 0 HG3 LYS A 9 -14.927 -16.288 2.992 1.00 72.00 H new ATOM 0 HD2 LYS A 9 -13.350 -17.126 4.800 1.00 23.34 H new ATOM 0 HD3 LYS A 9 -14.191 -16.107 5.952 1.00 23.34 H new ATOM 0 HE2 LYS A 9 -15.828 -17.968 4.226 1.00 1.24 H new ATOM 0 HE3 LYS A 9 -14.914 -18.661 5.551 1.00 1.24 H new ATOM 0 HZ1 LYS A 9 -17.147 -18.113 6.219 1.00 21.22 H new ATOM 0 HZ2 LYS A 9 -16.033 -17.158 7.073 1.00 21.22 H new ATOM 0 HZ3 LYS A 9 -16.919 -16.486 5.790 1.00 21.22 H new ATOM 129 N THR A 10 -12.374 -12.083 2.635 1.00 74.25 N ATOM 130 CA THR A 10 -11.237 -11.372 2.091 1.00 13.54 C ATOM 131 C THR A 10 -11.124 -9.973 2.710 1.00 52.52 C ATOM 132 O THR A 10 -10.071 -9.609 3.223 1.00 61.23 O ATOM 133 CB THR A 10 -11.383 -11.369 0.556 1.00 0.01 C ATOM 134 OG1 THR A 10 -11.710 -12.681 0.114 1.00 34.44 O ATOM 135 CG2 THR A 10 -10.091 -10.933 -0.124 1.00 21.15 C ATOM 0 H THR A 10 -13.055 -12.337 1.919 1.00 74.25 H new ATOM 0 HA THR A 10 -10.298 -11.864 2.343 1.00 13.54 H new ATOM 0 HB THR A 10 -12.171 -10.664 0.292 1.00 0.01 H new ATOM 0 HG1 THR A 10 -11.805 -12.683 -0.861 1.00 34.44 H new ATOM 0 HG21 THR A 10 -10.228 -10.942 -1.205 1.00 21.15 H new ATOM 0 HG22 THR A 10 -9.831 -9.925 0.201 1.00 21.15 H new ATOM 0 HG23 THR A 10 -9.288 -11.619 0.146 1.00 21.15 H new ATOM 143 N PHE A 11 -12.207 -9.199 2.675 1.00 2.31 N ATOM 144 CA PHE A 11 -12.318 -7.825 3.149 1.00 54.43 C ATOM 145 C PHE A 11 -12.043 -7.743 4.651 1.00 2.41 C ATOM 146 O PHE A 11 -11.345 -6.836 5.104 1.00 32.02 O ATOM 147 CB PHE A 11 -13.732 -7.334 2.798 1.00 25.32 C ATOM 148 CG PHE A 11 -13.972 -5.837 2.831 1.00 64.11 C ATOM 149 CD1 PHE A 11 -13.285 -5.001 1.932 1.00 71.24 C ATOM 150 CD2 PHE A 11 -14.954 -5.286 3.675 1.00 32.05 C ATOM 151 CE1 PHE A 11 -13.556 -3.622 1.887 1.00 72.32 C ATOM 152 CE2 PHE A 11 -15.247 -3.912 3.607 1.00 20.31 C ATOM 153 CZ PHE A 11 -14.543 -3.077 2.723 1.00 65.24 C ATOM 0 H PHE A 11 -13.087 -9.540 2.289 1.00 2.31 H new ATOM 0 HA PHE A 11 -11.575 -7.188 2.669 1.00 54.43 H new ATOM 0 HB2 PHE A 11 -13.976 -7.694 1.799 1.00 25.32 H new ATOM 0 HB3 PHE A 11 -14.434 -7.804 3.487 1.00 25.32 H new ATOM 0 HD1 PHE A 11 -12.543 -5.422 1.270 1.00 71.24 H new ATOM 0 HD2 PHE A 11 -15.482 -5.917 4.374 1.00 32.05 H new ATOM 0 HE1 PHE A 11 -13.006 -2.984 1.211 1.00 72.32 H new ATOM 0 HE2 PHE A 11 -16.018 -3.496 4.238 1.00 20.31 H new ATOM 0 HZ PHE A 11 -14.761 -2.020 2.687 1.00 65.24 H new ATOM 163 N SER A 12 -12.549 -8.714 5.418 1.00 52.41 N ATOM 164 CA SER A 12 -12.223 -8.854 6.828 1.00 3.30 C ATOM 165 C SER A 12 -10.718 -9.002 7.017 1.00 51.11 C ATOM 166 O SER A 12 -10.136 -8.232 7.783 1.00 3.04 O ATOM 167 CB SER A 12 -12.968 -10.037 7.442 1.00 34.53 C ATOM 168 OG SER A 12 -14.335 -9.713 7.623 1.00 33.32 O ATOM 0 H SER A 12 -13.196 -9.422 5.072 1.00 52.41 H new ATOM 0 HA SER A 12 -12.544 -7.950 7.345 1.00 3.30 H new ATOM 0 HB2 SER A 12 -12.876 -10.910 6.795 1.00 34.53 H new ATOM 0 HB3 SER A 12 -12.519 -10.301 8.400 1.00 34.53 H new ATOM 0 HG SER A 12 -14.804 -10.479 8.016 1.00 33.32 H new ATOM 174 N ILE A 13 -10.077 -9.953 6.328 1.00 45.32 N ATOM 175 CA ILE A 13 -8.632 -10.137 6.470 1.00 14.50 C ATOM 176 C ILE A 13 -7.886 -8.861 6.055 1.00 34.12 C ATOM 177 O ILE A 13 -6.921 -8.501 6.725 1.00 34.35 O ATOM 178 CB ILE A 13 -8.172 -11.387 5.696 1.00 15.23 C ATOM 179 CG1 ILE A 13 -8.701 -12.660 6.393 1.00 24.34 C ATOM 180 CG2 ILE A 13 -6.634 -11.468 5.583 1.00 52.31 C ATOM 181 CD1 ILE A 13 -8.720 -13.882 5.472 1.00 3.22 C ATOM 0 H ILE A 13 -10.528 -10.596 5.678 1.00 45.32 H new ATOM 0 HA ILE A 13 -8.388 -10.312 7.518 1.00 14.50 H new ATOM 0 HB ILE A 13 -8.579 -11.312 4.687 1.00 15.23 H new ATOM 0 HG12 ILE A 13 -8.080 -12.877 7.262 1.00 24.34 H new ATOM 0 HG13 ILE A 13 -9.710 -12.473 6.761 1.00 24.34 H new ATOM 0 HG21 ILE A 13 -6.357 -12.365 5.030 1.00 52.31 H new ATOM 0 HG22 ILE A 13 -6.261 -10.588 5.059 1.00 52.31 H new ATOM 0 HG23 ILE A 13 -6.197 -11.508 6.581 1.00 52.31 H new ATOM 0 HD11 ILE A 13 -9.101 -14.744 6.019 1.00 3.22 H new ATOM 0 HD12 ILE A 13 -9.364 -13.682 4.615 1.00 3.22 H new ATOM 0 HD13 ILE A 13 -7.708 -14.091 5.124 1.00 3.22 H new ATOM 193 N CYS A 14 -8.323 -8.136 5.017 1.00 42.43 N ATOM 194 CA CYS A 14 -7.701 -6.866 4.655 1.00 71.02 C ATOM 195 C CYS A 14 -7.653 -5.913 5.854 1.00 75.44 C ATOM 196 O CYS A 14 -6.587 -5.368 6.138 1.00 53.24 O ATOM 197 CB CYS A 14 -8.393 -6.219 3.450 1.00 61.45 C ATOM 198 SG CYS A 14 -8.259 -7.279 1.978 1.00 44.54 S ATOM 0 H CYS A 14 -9.102 -8.410 4.418 1.00 42.43 H new ATOM 0 HA CYS A 14 -6.674 -7.077 4.358 1.00 71.02 H new ATOM 0 HB2 CYS A 14 -9.443 -6.042 3.681 1.00 61.45 H new ATOM 0 HB3 CYS A 14 -7.943 -5.247 3.246 1.00 61.45 H new ATOM 0 HG CYS A 14 -8.926 -8.378 2.172 1.00 44.54 H new ATOM 204 N LYS A 15 -8.757 -5.753 6.589 1.00 61.20 N ATOM 205 CA LYS A 15 -8.766 -4.956 7.818 1.00 71.41 C ATOM 206 C LYS A 15 -7.787 -5.517 8.852 1.00 64.32 C ATOM 207 O LYS A 15 -7.071 -4.735 9.467 1.00 53.44 O ATOM 208 CB LYS A 15 -10.182 -4.878 8.402 1.00 2.12 C ATOM 209 CG LYS A 15 -11.147 -4.086 7.502 1.00 72.43 C ATOM 210 CD LYS A 15 -12.570 -4.647 7.534 1.00 54.23 C ATOM 211 CE LYS A 15 -13.197 -4.608 8.931 1.00 22.04 C ATOM 212 NZ LYS A 15 -14.459 -5.369 8.938 1.00 53.52 N1+ ATOM 0 H LYS A 15 -9.659 -6.167 6.353 1.00 61.20 H new ATOM 0 HA LYS A 15 -8.441 -3.947 7.563 1.00 71.41 H new ATOM 0 HB2 LYS A 15 -10.569 -5.887 8.545 1.00 2.12 H new ATOM 0 HB3 LYS A 15 -10.141 -4.410 9.386 1.00 2.12 H new ATOM 0 HG2 LYS A 15 -11.163 -3.044 7.821 1.00 72.43 H new ATOM 0 HG3 LYS A 15 -10.777 -4.100 6.477 1.00 72.43 H new ATOM 0 HD2 LYS A 15 -13.195 -4.078 6.845 1.00 54.23 H new ATOM 0 HD3 LYS A 15 -12.557 -5.676 7.176 1.00 54.23 H new ATOM 0 HE2 LYS A 15 -12.505 -5.028 9.661 1.00 22.04 H new ATOM 0 HE3 LYS A 15 -13.384 -3.575 9.226 1.00 22.04 H new ATOM 0 HZ1 LYS A 15 -14.878 -5.338 9.889 1.00 53.52 H new ATOM 0 HZ2 LYS A 15 -15.121 -4.950 8.254 1.00 53.52 H new ATOM 0 HZ3 LYS A 15 -14.270 -6.357 8.675 1.00 53.52 H new ATOM 226 N GLU A 16 -7.740 -6.836 9.066 1.00 32.01 N ATOM 227 CA GLU A 16 -6.837 -7.424 10.063 1.00 34.41 C ATOM 228 C GLU A 16 -5.356 -7.192 9.718 1.00 35.03 C ATOM 229 O GLU A 16 -4.525 -7.066 10.624 1.00 3.44 O ATOM 230 CB GLU A 16 -7.103 -8.929 10.258 1.00 11.31 C ATOM 231 CG GLU A 16 -8.550 -9.242 10.674 1.00 11.31 C ATOM 232 CD GLU A 16 -8.641 -10.478 11.573 1.00 44.31 C ATOM 233 OE1 GLU A 16 -8.836 -11.616 11.069 1.00 55.10 O1- ATOM 234 OE2 GLU A 16 -8.623 -10.298 12.809 1.00 73.22 O ATOM 0 H GLU A 16 -8.314 -7.515 8.565 1.00 32.01 H new ATOM 0 HA GLU A 16 -7.048 -6.910 11.001 1.00 34.41 H new ATOM 0 HB2 GLU A 16 -6.878 -9.454 9.330 1.00 11.31 H new ATOM 0 HB3 GLU A 16 -6.422 -9.316 11.016 1.00 11.31 H new ATOM 0 HG2 GLU A 16 -8.969 -8.383 11.198 1.00 11.31 H new ATOM 0 HG3 GLU A 16 -9.156 -9.399 9.782 1.00 11.31 H new ATOM 241 N ARG A 17 -5.016 -7.143 8.426 1.00 63.14 N ATOM 242 CA ARG A 17 -3.655 -6.929 7.941 1.00 23.14 C ATOM 243 C ARG A 17 -3.275 -5.453 8.013 1.00 53.13 C ATOM 244 O ARG A 17 -2.212 -5.116 8.527 1.00 22.52 O ATOM 245 CB ARG A 17 -3.529 -7.440 6.492 1.00 51.25 C ATOM 246 CG ARG A 17 -3.737 -8.955 6.303 1.00 12.51 C ATOM 247 CD ARG A 17 -2.518 -9.810 6.654 1.00 23.13 C ATOM 248 NE ARG A 17 -2.309 -9.945 8.108 1.00 4.42 N ATOM 249 CZ ARG A 17 -2.674 -10.983 8.871 1.00 41.23 C ATOM 250 NH1 ARG A 17 -3.170 -12.086 8.324 1.00 10.31 N1+ ATOM 251 NH2 ARG A 17 -2.539 -10.893 10.184 1.00 54.34 N ATOM 0 H ARG A 17 -5.697 -7.254 7.674 1.00 63.14 H new ATOM 0 HA ARG A 17 -2.970 -7.487 8.580 1.00 23.14 H new ATOM 0 HB2 ARG A 17 -4.255 -6.911 5.874 1.00 51.25 H new ATOM 0 HB3 ARG A 17 -2.540 -7.177 6.117 1.00 51.25 H new ATOM 0 HG2 ARG A 17 -4.578 -9.273 6.919 1.00 12.51 H new ATOM 0 HG3 ARG A 17 -4.012 -9.145 5.265 1.00 12.51 H new ATOM 0 HD2 ARG A 17 -2.638 -10.801 6.216 1.00 23.13 H new ATOM 0 HD3 ARG A 17 -1.629 -9.368 6.204 1.00 23.13 H new ATOM 0 HE ARG A 17 -1.840 -9.171 8.579 1.00 4.42 H new ATOM 0 HH11 ARG A 17 -3.277 -12.150 7.312 1.00 10.31 H new ATOM 0 HH12 ARG A 17 -3.444 -12.870 8.916 1.00 10.31 H new ATOM 0 HH21 ARG A 17 -2.162 -10.042 10.601 1.00 54.34 H new ATOM 0 HH22 ARG A 17 -2.812 -11.675 10.780 1.00 54.34 H new ATOM 265 N MET A 18 -4.107 -4.562 7.477 1.00 71.35 N ATOM 266 CA MET A 18 -3.775 -3.156 7.238 1.00 21.12 C ATOM 267 C MET A 18 -3.906 -2.300 8.507 1.00 10.24 C ATOM 268 O MET A 18 -4.289 -1.130 8.453 1.00 60.01 O ATOM 269 CB MET A 18 -4.641 -2.633 6.079 1.00 35.41 C ATOM 270 CG MET A 18 -4.397 -3.375 4.754 1.00 63.51 C ATOM 271 SD MET A 18 -2.664 -3.625 4.283 1.00 62.02 S ATOM 272 CE MET A 18 -2.127 -1.912 4.053 1.00 72.55 C ATOM 0 H MET A 18 -5.055 -4.803 7.189 1.00 71.35 H new ATOM 0 HA MET A 18 -2.725 -3.080 6.955 1.00 21.12 H new ATOM 0 HB2 MET A 18 -5.693 -2.725 6.350 1.00 35.41 H new ATOM 0 HB3 MET A 18 -4.440 -1.571 5.935 1.00 35.41 H new ATOM 0 HG2 MET A 18 -4.880 -4.350 4.814 1.00 63.51 H new ATOM 0 HG3 MET A 18 -4.893 -2.822 3.956 1.00 63.51 H new ATOM 0 HE1 MET A 18 -1.040 -1.860 4.113 1.00 72.55 H new ATOM 0 HE2 MET A 18 -2.454 -1.556 3.076 1.00 72.55 H new ATOM 0 HE3 MET A 18 -2.563 -1.286 4.832 1.00 72.55 H new ATOM 282 N ARG A 19 -3.589 -2.875 9.664 1.00 70.53 N ATOM 283 CA ARG A 19 -3.837 -2.330 10.985 1.00 32.31 C ATOM 284 C ARG A 19 -2.735 -1.353 11.362 1.00 1.35 C ATOM 285 O ARG A 19 -3.048 -0.183 11.575 1.00 33.22 O ATOM 286 CB ARG A 19 -3.947 -3.495 11.984 1.00 55.31 C ATOM 287 CG ARG A 19 -5.389 -4.014 12.097 1.00 70.22 C ATOM 288 CD ARG A 19 -5.958 -3.735 13.480 1.00 11.33 C ATOM 289 NE ARG A 19 -5.230 -4.462 14.536 1.00 22.22 N ATOM 290 CZ ARG A 19 -5.048 -4.021 15.786 1.00 44.22 C ATOM 291 NH1 ARG A 19 -5.576 -2.860 16.177 1.00 3.14 N1+ ATOM 292 NH2 ARG A 19 -4.397 -4.766 16.664 1.00 44.53 N ATOM 0 H ARG A 19 -3.127 -3.784 9.701 1.00 70.53 H new ATOM 0 HA ARG A 19 -4.774 -1.773 11.000 1.00 32.31 H new ATOM 0 HB2 ARG A 19 -3.292 -4.307 11.669 1.00 55.31 H new ATOM 0 HB3 ARG A 19 -3.600 -3.168 12.964 1.00 55.31 H new ATOM 0 HG2 ARG A 19 -6.012 -3.538 11.340 1.00 70.22 H new ATOM 0 HG3 ARG A 19 -5.411 -5.086 11.899 1.00 70.22 H new ATOM 0 HD2 ARG A 19 -5.913 -2.665 13.681 1.00 11.33 H new ATOM 0 HD3 ARG A 19 -7.010 -4.020 13.503 1.00 11.33 H new ATOM 0 HE ARG A 19 -4.835 -5.371 14.295 1.00 22.22 H new ATOM 0 HH11 ARG A 19 -6.123 -2.302 15.521 1.00 3.14 H new ATOM 0 HH12 ARG A 19 -5.433 -2.530 17.132 1.00 3.14 H new ATOM 0 HH21 ARG A 19 -4.033 -5.678 16.388 1.00 44.53 H new ATOM 0 HH22 ARG A 19 -4.259 -4.428 17.617 1.00 44.53 H new ATOM 306 N PRO A 20 -1.454 -1.761 11.402 1.00 55.23 N ATOM 307 CA PRO A 20 -0.386 -0.890 11.873 1.00 5.31 C ATOM 308 C PRO A 20 -0.301 0.409 11.066 1.00 5.24 C ATOM 309 O PRO A 20 -0.072 1.488 11.621 1.00 22.40 O ATOM 310 CB PRO A 20 0.884 -1.738 11.768 1.00 24.21 C ATOM 311 CG PRO A 20 0.554 -2.850 10.789 1.00 41.52 C ATOM 312 CD PRO A 20 -0.908 -3.080 11.104 1.00 62.13 C ATOM 0 HA PRO A 20 -0.555 -0.552 12.895 1.00 5.31 H new ATOM 0 HB2 PRO A 20 1.725 -1.142 11.414 1.00 24.21 H new ATOM 0 HB3 PRO A 20 1.166 -2.143 12.740 1.00 24.21 H new ATOM 0 HG2 PRO A 20 0.711 -2.549 9.753 1.00 41.52 H new ATOM 0 HG3 PRO A 20 1.158 -3.741 10.957 1.00 41.52 H new ATOM 0 HD2 PRO A 20 -1.424 -3.537 10.260 1.00 62.13 H new ATOM 0 HD3 PRO A 20 -1.025 -3.754 11.952 1.00 62.13 H new ATOM 320 N VAL A 21 -0.551 0.303 9.762 1.00 53.43 N ATOM 321 CA VAL A 21 -0.485 1.388 8.798 1.00 65.33 C ATOM 322 C VAL A 21 -1.799 2.172 8.679 1.00 34.13 C ATOM 323 O VAL A 21 -1.885 3.031 7.809 1.00 65.24 O ATOM 324 CB VAL A 21 -0.007 0.823 7.442 1.00 4.30 C ATOM 325 CG1 VAL A 21 1.480 0.482 7.534 1.00 52.03 C ATOM 326 CG2 VAL A 21 -0.777 -0.423 6.976 1.00 41.14 C ATOM 0 H VAL A 21 -0.817 -0.584 9.334 1.00 53.43 H new ATOM 0 HA VAL A 21 0.238 2.122 9.154 1.00 65.33 H new ATOM 0 HB VAL A 21 -0.196 1.601 6.703 1.00 4.30 H new ATOM 0 HG11 VAL A 21 1.822 0.083 6.579 1.00 52.03 H new ATOM 0 HG12 VAL A 21 2.046 1.382 7.774 1.00 52.03 H new ATOM 0 HG13 VAL A 21 1.635 -0.263 8.315 1.00 52.03 H new ATOM 0 HG21 VAL A 21 -0.381 -0.758 6.017 1.00 41.14 H new ATOM 0 HG22 VAL A 21 -0.663 -1.218 7.713 1.00 41.14 H new ATOM 0 HG23 VAL A 21 -1.834 -0.178 6.867 1.00 41.14 H new ATOM 336 N LYS A 22 -2.820 1.942 9.518 1.00 4.01 N ATOM 337 CA LYS A 22 -4.132 2.599 9.404 1.00 52.15 C ATOM 338 C LYS A 22 -4.036 4.106 9.186 1.00 32.24 C ATOM 339 O LYS A 22 -4.692 4.632 8.282 1.00 35.14 O ATOM 340 CB LYS A 22 -4.987 2.306 10.654 1.00 14.31 C ATOM 341 CG LYS A 22 -6.150 1.318 10.442 1.00 51.24 C ATOM 342 CD LYS A 22 -7.535 1.989 10.359 1.00 4.42 C ATOM 343 CE LYS A 22 -8.132 2.437 11.708 1.00 30.13 C ATOM 344 NZ LYS A 22 -7.559 3.692 12.248 1.00 62.13 N1+ ATOM 0 H LYS A 22 -2.759 1.290 10.300 1.00 4.01 H new ATOM 0 HA LYS A 22 -4.608 2.181 8.517 1.00 52.15 H new ATOM 0 HB2 LYS A 22 -4.336 1.912 11.435 1.00 14.31 H new ATOM 0 HB3 LYS A 22 -5.395 3.247 11.023 1.00 14.31 H new ATOM 0 HG2 LYS A 22 -5.974 0.757 9.524 1.00 51.24 H new ATOM 0 HG3 LYS A 22 -6.155 0.598 11.260 1.00 51.24 H new ATOM 0 HD2 LYS A 22 -7.460 2.859 9.707 1.00 4.42 H new ATOM 0 HD3 LYS A 22 -8.229 1.294 9.886 1.00 4.42 H new ATOM 0 HE2 LYS A 22 -9.208 2.565 11.590 1.00 30.13 H new ATOM 0 HE3 LYS A 22 -7.984 1.641 12.438 1.00 30.13 H new ATOM 0 HZ1 LYS A 22 -8.236 4.127 12.907 1.00 62.13 H new ATOM 0 HZ2 LYS A 22 -6.673 3.481 12.751 1.00 62.13 H new ATOM 0 HZ3 LYS A 22 -7.365 4.350 11.466 1.00 62.13 H new ATOM 358 N ALA A 23 -3.257 4.808 10.013 1.00 3.10 N ATOM 359 CA ALA A 23 -3.104 6.248 9.872 1.00 60.23 C ATOM 360 C ALA A 23 -2.525 6.582 8.499 1.00 22.25 C ATOM 361 O ALA A 23 -3.067 7.434 7.809 1.00 61.41 O ATOM 362 CB ALA A 23 -2.218 6.806 10.986 1.00 13.54 C ATOM 0 H ALA A 23 -2.727 4.399 10.783 1.00 3.10 H new ATOM 0 HA ALA A 23 -4.085 6.715 9.957 1.00 60.23 H new ATOM 0 HB1 ALA A 23 -2.115 7.884 10.864 1.00 13.54 H new ATOM 0 HB2 ALA A 23 -2.672 6.592 11.954 1.00 13.54 H new ATOM 0 HB3 ALA A 23 -1.234 6.340 10.936 1.00 13.54 H new ATOM 368 N ALA A 24 -1.454 5.900 8.087 1.00 33.30 N ATOM 369 CA ALA A 24 -0.770 6.160 6.826 1.00 54.32 C ATOM 370 C ALA A 24 -1.696 5.888 5.639 1.00 25.33 C ATOM 371 O ALA A 24 -1.818 6.722 4.749 1.00 41.25 O ATOM 372 CB ALA A 24 0.505 5.312 6.739 1.00 1.31 C ATOM 0 H ALA A 24 -1.035 5.144 8.629 1.00 33.30 H new ATOM 0 HA ALA A 24 -0.489 7.212 6.789 1.00 54.32 H new ATOM 0 HB1 ALA A 24 1.011 5.511 5.794 1.00 1.31 H new ATOM 0 HB2 ALA A 24 1.168 5.566 7.566 1.00 1.31 H new ATOM 0 HB3 ALA A 24 0.244 4.255 6.795 1.00 1.31 H new ATOM 378 N LEU A 25 -2.351 4.723 5.622 1.00 62.25 N ATOM 379 CA LEU A 25 -3.249 4.321 4.545 1.00 63.42 C ATOM 380 C LEU A 25 -4.380 5.333 4.400 1.00 64.02 C ATOM 381 O LEU A 25 -4.763 5.650 3.278 1.00 34.33 O ATOM 382 CB LEU A 25 -3.680 2.850 4.719 1.00 1.32 C ATOM 383 CG LEU A 25 -5.047 2.553 5.368 1.00 2.24 C ATOM 384 CD1 LEU A 25 -6.216 2.681 4.387 1.00 2.21 C ATOM 385 CD2 LEU A 25 -5.061 1.110 5.877 1.00 60.44 C ATOM 0 H LEU A 25 -2.269 4.029 6.365 1.00 62.25 H new ATOM 0 HA LEU A 25 -2.734 4.339 3.585 1.00 63.42 H new ATOM 0 HB2 LEU A 25 -3.673 2.384 3.733 1.00 1.32 H new ATOM 0 HB3 LEU A 25 -2.916 2.349 5.313 1.00 1.32 H new ATOM 0 HG LEU A 25 -5.172 3.284 6.167 1.00 2.24 H new ATOM 0 HD11 LEU A 25 -7.150 2.460 4.903 1.00 2.21 H new ATOM 0 HD12 LEU A 25 -6.251 3.697 3.993 1.00 2.21 H new ATOM 0 HD13 LEU A 25 -6.080 1.978 3.565 1.00 2.21 H new ATOM 0 HD21 LEU A 25 -6.026 0.896 6.337 1.00 60.44 H new ATOM 0 HD22 LEU A 25 -4.897 0.428 5.042 1.00 60.44 H new ATOM 0 HD23 LEU A 25 -4.270 0.977 6.615 1.00 60.44 H new ATOM 397 N LYS A 26 -4.893 5.863 5.517 1.00 54.00 N ATOM 398 CA LYS A 26 -5.906 6.910 5.450 1.00 74.52 C ATOM 399 C LYS A 26 -5.319 8.244 4.986 1.00 13.22 C ATOM 400 O LYS A 26 -5.906 8.856 4.105 1.00 65.43 O ATOM 401 CB LYS A 26 -6.661 7.019 6.774 1.00 21.25 C ATOM 402 CG LYS A 26 -8.014 7.709 6.534 1.00 45.03 C ATOM 403 CD LYS A 26 -8.934 7.638 7.754 1.00 54.44 C ATOM 404 CE LYS A 26 -9.406 6.213 8.050 1.00 30.32 C ATOM 405 NZ LYS A 26 -9.966 6.111 9.409 1.00 3.34 N1+ ATOM 0 H LYS A 26 -4.625 5.586 6.462 1.00 54.00 H new ATOM 0 HA LYS A 26 -6.635 6.629 4.690 1.00 74.52 H new ATOM 0 HB2 LYS A 26 -6.816 6.028 7.200 1.00 21.25 H new ATOM 0 HB3 LYS A 26 -6.073 7.587 7.495 1.00 21.25 H new ATOM 0 HG2 LYS A 26 -7.844 8.753 6.272 1.00 45.03 H new ATOM 0 HG3 LYS A 26 -8.509 7.243 5.682 1.00 45.03 H new ATOM 0 HD2 LYS A 26 -8.409 8.031 8.624 1.00 54.44 H new ATOM 0 HD3 LYS A 26 -9.801 8.278 7.589 1.00 54.44 H new ATOM 0 HE2 LYS A 26 -10.159 5.917 7.320 1.00 30.32 H new ATOM 0 HE3 LYS A 26 -8.571 5.521 7.945 1.00 30.32 H new ATOM 0 HZ1 LYS A 26 -10.278 5.134 9.583 1.00 3.34 H new ATOM 0 HZ2 LYS A 26 -9.238 6.371 10.105 1.00 3.34 H new ATOM 0 HZ3 LYS A 26 -10.777 6.755 9.499 1.00 3.34 H new ATOM 419 N GLN A 27 -4.154 8.647 5.499 1.00 44.31 N ATOM 420 CA GLN A 27 -3.449 9.879 5.118 1.00 45.20 C ATOM 421 C GLN A 27 -3.271 9.988 3.603 1.00 75.11 C ATOM 422 O GLN A 27 -3.235 11.093 3.067 1.00 3.23 O ATOM 423 CB GLN A 27 -2.076 9.972 5.802 1.00 63.33 C ATOM 424 CG GLN A 27 -2.196 10.393 7.278 1.00 62.13 C ATOM 425 CD GLN A 27 -1.953 11.886 7.513 1.00 71.01 C ATOM 426 OE1 GLN A 27 -2.388 12.741 6.749 1.00 33.44 O ATOM 427 NE2 GLN A 27 -1.271 12.247 8.588 1.00 1.20 N ATOM 0 H GLN A 27 -3.659 8.111 6.212 1.00 44.31 H new ATOM 0 HA GLN A 27 -4.071 10.708 5.454 1.00 45.20 H new ATOM 0 HB2 GLN A 27 -1.574 9.007 5.740 1.00 63.33 H new ATOM 0 HB3 GLN A 27 -1.453 10.691 5.269 1.00 63.33 H new ATOM 0 HG2 GLN A 27 -3.191 10.134 7.641 1.00 62.13 H new ATOM 0 HG3 GLN A 27 -1.482 9.820 7.869 1.00 62.13 H new ATOM 0 HE21 GLN A 27 -0.909 11.537 9.224 1.00 1.20 H new ATOM 0 HE22 GLN A 27 -1.108 13.235 8.780 1.00 1.20 H new ATOM 436 N LEU A 28 -3.170 8.865 2.889 1.00 32.11 N ATOM 437 CA LEU A 28 -3.043 8.875 1.437 1.00 1.43 C ATOM 438 C LEU A 28 -4.299 9.382 0.721 1.00 13.42 C ATOM 439 O LEU A 28 -4.209 9.757 -0.454 1.00 2.11 O ATOM 440 CB LEU A 28 -2.591 7.491 0.933 1.00 33.02 C ATOM 441 CG LEU A 28 -1.094 7.438 0.579 1.00 3.21 C ATOM 442 CD1 LEU A 28 -0.774 8.391 -0.581 1.00 34.30 C ATOM 443 CD2 LEU A 28 -0.184 7.733 1.780 1.00 62.12 C ATOM 0 H LEU A 28 -3.174 7.932 3.301 1.00 32.11 H new ATOM 0 HA LEU A 28 -2.269 9.599 1.183 1.00 1.43 H new ATOM 0 HB2 LEU A 28 -2.804 6.745 1.698 1.00 33.02 H new ATOM 0 HB3 LEU A 28 -3.176 7.222 0.054 1.00 33.02 H new ATOM 0 HG LEU A 28 -0.887 6.414 0.269 1.00 3.21 H new ATOM 0 HD11 LEU A 28 0.289 8.337 -0.814 1.00 34.30 H new ATOM 0 HD12 LEU A 28 -1.353 8.103 -1.459 1.00 34.30 H new ATOM 0 HD13 LEU A 28 -1.031 9.411 -0.295 1.00 34.30 H new ATOM 0 HD21 LEU A 28 0.859 7.681 1.468 1.00 62.12 H new ATOM 0 HD22 LEU A 28 -0.399 8.731 2.163 1.00 62.12 H new ATOM 0 HD23 LEU A 28 -0.365 6.997 2.563 1.00 62.12 H new ATOM 455 N ASP A 29 -5.467 9.426 1.369 1.00 4.35 N ATOM 456 CA ASP A 29 -6.667 10.046 0.817 1.00 23.20 C ATOM 457 C ASP A 29 -6.562 11.574 0.815 1.00 70.54 C ATOM 458 O ASP A 29 -7.033 12.231 -0.119 1.00 54.23 O ATOM 459 CB ASP A 29 -7.940 9.599 1.553 1.00 44.14 C ATOM 460 CG ASP A 29 -8.580 10.602 2.514 1.00 22.52 C ATOM 461 OD1 ASP A 29 -8.169 10.716 3.685 1.00 31.42 O1- ATOM 462 OD2 ASP A 29 -9.596 11.241 2.132 1.00 42.44 O ATOM 0 H ASP A 29 -5.603 9.028 2.298 1.00 4.35 H new ATOM 0 HA ASP A 29 -6.743 9.706 -0.216 1.00 23.20 H new ATOM 0 HB2 ASP A 29 -8.684 9.325 0.805 1.00 44.14 H new ATOM 0 HB3 ASP A 29 -7.706 8.695 2.115 1.00 44.14 H new ATOM 467 N ARG A 30 -5.957 12.111 1.863 1.00 1.15 N ATOM 468 CA ARG A 30 -5.973 13.530 2.188 1.00 60.23 C ATOM 469 C ARG A 30 -4.906 13.818 3.245 1.00 21.12 C ATOM 470 O ARG A 30 -5.232 13.705 4.431 1.00 42.23 O ATOM 471 CB ARG A 30 -7.376 13.914 2.683 1.00 12.30 C ATOM 472 CG ARG A 30 -7.541 15.428 2.844 1.00 32.22 C ATOM 473 CD ARG A 30 -7.861 15.807 4.289 1.00 61.42 C ATOM 474 NE ARG A 30 -8.419 17.158 4.317 1.00 74.33 N ATOM 475 CZ ARG A 30 -9.119 17.697 5.308 1.00 54.25 C ATOM 476 NH1 ARG A 30 -9.180 17.110 6.497 1.00 2.44 N1+ ATOM 477 NH2 ARG A 30 -9.773 18.826 5.096 1.00 42.22 N ATOM 0 H ARG A 30 -5.425 11.555 2.532 1.00 1.15 H new ATOM 0 HA ARG A 30 -5.745 14.129 1.306 1.00 60.23 H new ATOM 0 HB2 ARG A 30 -8.121 13.542 1.980 1.00 12.30 H new ATOM 0 HB3 ARG A 30 -7.568 13.426 3.639 1.00 12.30 H new ATOM 0 HG2 ARG A 30 -6.626 15.930 2.529 1.00 32.22 H new ATOM 0 HG3 ARG A 30 -8.339 15.780 2.190 1.00 32.22 H new ATOM 0 HD2 ARG A 30 -8.571 15.098 4.715 1.00 61.42 H new ATOM 0 HD3 ARG A 30 -6.959 15.760 4.899 1.00 61.42 H new ATOM 0 HE ARG A 30 -8.255 17.742 3.497 1.00 74.33 H new ATOM 0 HH11 ARG A 30 -8.685 16.233 6.659 1.00 2.44 H new ATOM 0 HH12 ARG A 30 -9.722 17.536 7.249 1.00 2.44 H new ATOM 0 HH21 ARG A 30 -9.736 19.272 4.180 1.00 42.22 H new ATOM 0 HH22 ARG A 30 -10.315 19.251 5.849 1.00 42.22 H new ATOM 491 N PRO A 31 -3.644 14.074 2.872 1.00 42.22 N ATOM 492 CA PRO A 31 -2.645 14.472 3.848 1.00 54.35 C ATOM 493 C PRO A 31 -3.028 15.807 4.500 1.00 4.11 C ATOM 494 O PRO A 31 -3.774 16.611 3.926 1.00 74.21 O ATOM 495 CB PRO A 31 -1.313 14.536 3.094 1.00 32.13 C ATOM 496 CG PRO A 31 -1.709 14.657 1.622 1.00 42.02 C ATOM 497 CD PRO A 31 -3.084 13.998 1.534 1.00 44.54 C ATOM 0 HA PRO A 31 -2.569 13.762 4.671 1.00 54.35 H new ATOM 0 HB2 PRO A 31 -0.716 15.389 3.415 1.00 32.13 H new ATOM 0 HB3 PRO A 31 -0.714 13.643 3.271 1.00 32.13 H new ATOM 0 HG2 PRO A 31 -1.749 15.700 1.307 1.00 42.02 H new ATOM 0 HG3 PRO A 31 -0.988 14.156 0.976 1.00 42.02 H new ATOM 0 HD2 PRO A 31 -3.720 14.513 0.814 1.00 44.54 H new ATOM 0 HD3 PRO A 31 -3.001 12.963 1.203 1.00 44.54 H new ATOM 505 N GLU A 32 -2.461 16.084 5.676 1.00 1.13 N ATOM 506 CA GLU A 32 -2.412 17.448 6.200 1.00 30.44 C ATOM 507 C GLU A 32 -1.525 18.302 5.296 1.00 4.33 C ATOM 508 O GLU A 32 -0.728 17.761 4.524 1.00 30.13 O ATOM 509 CB GLU A 32 -1.901 17.479 7.647 1.00 33.11 C ATOM 510 CG GLU A 32 -0.477 16.931 7.848 1.00 14.44 C ATOM 511 CD GLU A 32 -0.422 16.102 9.134 1.00 31.31 C ATOM 512 OE1 GLU A 32 -1.073 15.029 9.167 1.00 23.13 O1- ATOM 513 OE2 GLU A 32 0.193 16.578 10.117 1.00 41.22 O ATOM 0 H GLU A 32 -2.031 15.384 6.281 1.00 1.13 H new ATOM 0 HA GLU A 32 -3.423 17.854 6.209 1.00 30.44 H new ATOM 0 HB2 GLU A 32 -1.931 18.508 8.005 1.00 33.11 H new ATOM 0 HB3 GLU A 32 -2.586 16.904 8.270 1.00 33.11 H new ATOM 0 HG2 GLU A 32 -0.189 16.317 6.995 1.00 14.44 H new ATOM 0 HG3 GLU A 32 0.236 17.754 7.903 1.00 14.44 H new ATOM 520 N LYS A 33 -1.615 19.631 5.402 1.00 52.24 N ATOM 521 CA LYS A 33 -0.792 20.557 4.634 1.00 32.14 C ATOM 522 C LYS A 33 -0.105 21.617 5.487 1.00 2.41 C ATOM 523 O LYS A 33 0.560 22.504 4.953 1.00 0.40 O ATOM 524 CB LYS A 33 -1.564 21.092 3.419 1.00 62.42 C ATOM 525 CG LYS A 33 -2.677 22.087 3.755 1.00 63.41 C ATOM 526 CD LYS A 33 -3.579 22.266 2.531 1.00 51.51 C ATOM 527 CE LYS A 33 -4.555 23.413 2.783 1.00 43.22 C ATOM 528 NZ LYS A 33 -5.888 23.154 2.208 1.00 43.21 N1+ ATOM 0 H LYS A 33 -2.270 20.095 6.032 1.00 52.24 H new ATOM 0 HA LYS A 33 0.052 19.998 4.230 1.00 32.14 H new ATOM 0 HB2 LYS A 33 -0.859 21.572 2.741 1.00 62.42 H new ATOM 0 HB3 LYS A 33 -1.999 20.249 2.882 1.00 62.42 H new ATOM 0 HG2 LYS A 33 -3.261 21.726 4.602 1.00 63.41 H new ATOM 0 HG3 LYS A 33 -2.248 23.045 4.049 1.00 63.41 H new ATOM 0 HD2 LYS A 33 -2.975 22.475 1.648 1.00 51.51 H new ATOM 0 HD3 LYS A 33 -4.127 21.345 2.332 1.00 51.51 H new ATOM 0 HE2 LYS A 33 -4.651 23.576 3.857 1.00 43.22 H new ATOM 0 HE3 LYS A 33 -4.150 24.331 2.356 1.00 43.22 H new ATOM 0 HZ1 LYS A 33 -6.514 23.961 2.405 1.00 43.21 H new ATOM 0 HZ2 LYS A 33 -5.803 23.025 1.180 1.00 43.21 H new ATOM 0 HZ3 LYS A 33 -6.288 22.293 2.633 1.00 43.21 H new ATOM 542 N GLY A 34 -0.225 21.527 6.809 1.00 62.23 N ATOM 543 CA GLY A 34 0.149 22.582 7.731 1.00 43.33 C ATOM 544 C GLY A 34 1.594 22.509 8.218 1.00 1.12 C ATOM 545 O GLY A 34 1.831 22.865 9.377 1.00 35.04 O ATOM 0 H GLY A 34 -0.594 20.697 7.274 1.00 62.23 H new ATOM 0 HA2 GLY A 34 -0.010 23.545 7.246 1.00 43.33 H new ATOM 0 HA3 GLY A 34 -0.515 22.546 8.595 1.00 43.33 H new ATOM 549 N LEU A 35 2.527 22.023 7.391 1.00 20.30 N ATOM 550 CA LEU A 35 3.929 21.782 7.700 1.00 75.01 C ATOM 551 C LEU A 35 4.788 22.531 6.672 1.00 50.32 C ATOM 552 O LEU A 35 4.265 23.241 5.810 1.00 62.14 O ATOM 553 CB LEU A 35 4.224 20.268 7.657 1.00 30.55 C ATOM 554 CG LEU A 35 3.243 19.363 8.426 1.00 75.10 C ATOM 555 CD1 LEU A 35 3.625 17.905 8.165 1.00 74.41 C ATOM 556 CD2 LEU A 35 3.236 19.659 9.925 1.00 10.10 C ATOM 0 H LEU A 35 2.302 21.774 6.428 1.00 20.30 H new ATOM 0 HA LEU A 35 4.163 22.143 8.702 1.00 75.01 H new ATOM 0 HB2 LEU A 35 4.237 19.951 6.614 1.00 30.55 H new ATOM 0 HB3 LEU A 35 5.226 20.103 8.053 1.00 30.55 H new ATOM 0 HG LEU A 35 2.232 19.560 8.069 1.00 75.10 H new ATOM 0 HD11 LEU A 35 2.941 17.248 8.702 1.00 74.41 H new ATOM 0 HD12 LEU A 35 3.563 17.698 7.097 1.00 74.41 H new ATOM 0 HD13 LEU A 35 4.644 17.728 8.510 1.00 74.41 H new ATOM 0 HD21 LEU A 35 2.529 18.996 10.424 1.00 10.10 H new ATOM 0 HD22 LEU A 35 4.234 19.498 10.332 1.00 10.10 H new ATOM 0 HD23 LEU A 35 2.940 20.695 10.090 1.00 10.10 H new ATOM 568 N SER A 36 6.103 22.348 6.736 1.00 13.30 N ATOM 569 CA SER A 36 7.092 22.901 5.819 1.00 21.20 C ATOM 570 C SER A 36 7.078 22.204 4.446 1.00 65.31 C ATOM 571 O SER A 36 6.309 21.266 4.230 1.00 60.15 O ATOM 572 CB SER A 36 8.489 22.852 6.446 1.00 50.44 C ATOM 573 OG SER A 36 8.534 23.514 7.698 1.00 62.23 O ATOM 0 H SER A 36 6.529 21.780 7.468 1.00 13.30 H new ATOM 0 HA SER A 36 6.822 23.942 5.642 1.00 21.20 H new ATOM 0 HB2 SER A 36 8.792 21.813 6.575 1.00 50.44 H new ATOM 0 HB3 SER A 36 9.207 23.312 5.767 1.00 50.44 H new ATOM 0 HG SER A 36 9.441 23.459 8.065 1.00 62.23 H new ATOM 579 N GLU A 37 7.905 22.656 3.493 1.00 43.12 N ATOM 580 CA GLU A 37 7.934 22.109 2.135 1.00 23.33 C ATOM 581 C GLU A 37 8.449 20.673 2.127 1.00 0.42 C ATOM 582 O GLU A 37 7.769 19.796 1.596 1.00 53.05 O ATOM 583 CB GLU A 37 8.812 22.943 1.195 1.00 4.24 C ATOM 584 CG GLU A 37 8.246 24.333 0.901 1.00 51.34 C ATOM 585 CD GLU A 37 9.135 25.048 -0.114 1.00 10.03 C ATOM 586 OE1 GLU A 37 10.193 25.594 0.287 1.00 20.55 O ATOM 587 OE2 GLU A 37 8.809 25.036 -1.316 1.00 32.52 O1- ATOM 0 H GLU A 37 8.572 23.412 3.645 1.00 43.12 H new ATOM 0 HA GLU A 37 6.905 22.136 1.778 1.00 23.33 H new ATOM 0 HB2 GLU A 37 9.803 23.049 1.636 1.00 4.24 H new ATOM 0 HB3 GLU A 37 8.937 22.405 0.256 1.00 4.24 H new ATOM 0 HG2 GLU A 37 7.231 24.248 0.513 1.00 51.34 H new ATOM 0 HG3 GLU A 37 8.188 24.914 1.821 1.00 51.34 H new ATOM 594 N ARG A 38 9.649 20.422 2.669 1.00 21.15 N ATOM 595 CA ARG A 38 10.231 19.077 2.652 1.00 61.30 C ATOM 596 C ARG A 38 9.403 18.161 3.531 1.00 25.54 C ATOM 597 O ARG A 38 9.159 17.023 3.140 1.00 2.34 O ATOM 598 CB ARG A 38 11.696 19.081 3.115 1.00 12.35 C ATOM 599 CG ARG A 38 12.404 17.742 2.839 1.00 63.40 C ATOM 600 CD ARG A 38 13.779 17.674 3.513 1.00 71.42 C ATOM 601 NE ARG A 38 14.684 18.736 3.054 1.00 64.41 N ATOM 602 CZ ARG A 38 15.796 19.136 3.695 1.00 71.50 C ATOM 603 NH1 ARG A 38 16.174 18.522 4.815 1.00 14.30 N1+ ATOM 604 NH2 ARG A 38 16.507 20.133 3.206 1.00 51.23 N ATOM 0 H ARG A 38 10.230 21.128 3.121 1.00 21.15 H new ATOM 0 HA ARG A 38 10.219 18.713 1.624 1.00 61.30 H new ATOM 0 HB2 ARG A 38 12.232 19.883 2.608 1.00 12.35 H new ATOM 0 HB3 ARG A 38 11.736 19.296 4.183 1.00 12.35 H new ATOM 0 HG2 ARG A 38 11.782 16.922 3.198 1.00 63.40 H new ATOM 0 HG3 ARG A 38 12.520 17.607 1.764 1.00 63.40 H new ATOM 0 HD2 ARG A 38 13.655 17.749 4.593 1.00 71.42 H new ATOM 0 HD3 ARG A 38 14.231 16.703 3.311 1.00 71.42 H new ATOM 0 HE ARG A 38 14.450 19.207 2.180 1.00 64.41 H new ATOM 0 HH11 ARG A 38 15.620 17.750 5.185 1.00 14.30 H new ATOM 0 HH12 ARG A 38 17.017 18.824 5.303 1.00 14.30 H new ATOM 0 HH21 ARG A 38 16.212 20.596 2.346 1.00 51.23 H new ATOM 0 HH22 ARG A 38 17.352 20.441 3.688 1.00 51.23 H new ATOM 618 N GLU A 39 8.951 18.675 4.680 1.00 34.32 N ATOM 619 CA GLU A 39 8.219 17.906 5.676 1.00 22.23 C ATOM 620 C GLU A 39 7.020 17.218 5.053 1.00 4.10 C ATOM 621 O GLU A 39 6.806 16.043 5.322 1.00 34.05 O ATOM 622 CB GLU A 39 7.751 18.806 6.832 1.00 71.25 C ATOM 623 CG GLU A 39 8.899 19.302 7.707 1.00 31.04 C ATOM 624 CD GLU A 39 9.743 18.180 8.313 1.00 75.22 C ATOM 625 OE1 GLU A 39 9.217 17.057 8.544 1.00 73.33 O ATOM 626 OE2 GLU A 39 10.954 18.392 8.451 1.00 14.54 O1- ATOM 0 H GLU A 39 9.089 19.651 4.942 1.00 34.32 H new ATOM 0 HA GLU A 39 8.898 17.150 6.070 1.00 22.23 H new ATOM 0 HB2 GLU A 39 7.217 19.664 6.423 1.00 71.25 H new ATOM 0 HB3 GLU A 39 7.043 18.254 7.450 1.00 71.25 H new ATOM 0 HG2 GLU A 39 9.544 19.948 7.112 1.00 31.04 H new ATOM 0 HG3 GLU A 39 8.492 19.913 8.512 1.00 31.04 H new ATOM 633 N GLN A 40 6.272 17.926 4.201 1.00 75.44 N ATOM 634 CA GLN A 40 5.125 17.394 3.481 1.00 33.21 C ATOM 635 C GLN A 40 5.504 16.197 2.620 1.00 45.12 C ATOM 636 O GLN A 40 4.844 15.159 2.676 1.00 73.12 O ATOM 637 CB GLN A 40 4.570 18.491 2.569 1.00 44.22 C ATOM 638 CG GLN A 40 3.753 19.542 3.320 1.00 34.02 C ATOM 639 CD GLN A 40 2.332 19.046 3.504 1.00 3.44 C ATOM 640 OE1 GLN A 40 1.511 19.203 2.605 1.00 24.20 O ATOM 641 NE2 GLN A 40 2.017 18.440 4.637 1.00 2.34 N ATOM 0 H GLN A 40 6.457 18.907 3.992 1.00 75.44 H new ATOM 0 HA GLN A 40 4.385 17.069 4.212 1.00 33.21 H new ATOM 0 HB2 GLN A 40 5.397 18.982 2.056 1.00 44.22 H new ATOM 0 HB3 GLN A 40 3.945 18.035 1.801 1.00 44.22 H new ATOM 0 HG2 GLN A 40 4.207 19.745 4.290 1.00 34.02 H new ATOM 0 HG3 GLN A 40 3.752 20.481 2.766 1.00 34.02 H new ATOM 0 HE21 GLN A 40 2.721 18.324 5.366 1.00 2.34 H new ATOM 0 HE22 GLN A 40 1.070 18.089 4.781 1.00 2.34 H new ATOM 650 N LEU A 41 6.528 16.355 1.785 1.00 41.12 N ATOM 651 CA LEU A 41 6.946 15.302 0.877 1.00 15.34 C ATOM 652 C LEU A 41 7.400 14.107 1.688 1.00 23.34 C ATOM 653 O LEU A 41 6.985 12.985 1.418 1.00 52.42 O ATOM 654 CB LEU A 41 8.077 15.809 -0.030 1.00 21.03 C ATOM 655 CG LEU A 41 7.703 15.694 -1.512 1.00 0.11 C ATOM 656 CD1 LEU A 41 6.550 16.638 -1.858 1.00 22.31 C ATOM 657 CD2 LEU A 41 8.947 16.028 -2.332 1.00 65.33 C ATOM 0 H LEU A 41 7.083 17.208 1.722 1.00 41.12 H new ATOM 0 HA LEU A 41 6.112 15.006 0.241 1.00 15.34 H new ATOM 0 HB2 LEU A 41 8.299 16.849 0.211 1.00 21.03 H new ATOM 0 HB3 LEU A 41 8.984 15.236 0.163 1.00 21.03 H new ATOM 0 HG LEU A 41 7.364 14.683 -1.738 1.00 0.11 H new ATOM 0 HD11 LEU A 41 6.303 16.538 -2.915 1.00 22.31 H new ATOM 0 HD12 LEU A 41 5.678 16.383 -1.256 1.00 22.31 H new ATOM 0 HD13 LEU A 41 6.847 17.666 -1.650 1.00 22.31 H new ATOM 0 HD21 LEU A 41 8.713 15.955 -3.394 1.00 65.33 H new ATOM 0 HD22 LEU A 41 9.273 17.042 -2.101 1.00 65.33 H new ATOM 0 HD23 LEU A 41 9.744 15.326 -2.087 1.00 65.33 H new ATOM 669 N GLU A 42 8.263 14.355 2.669 1.00 33.24 N ATOM 670 CA GLU A 42 8.800 13.355 3.569 1.00 33.03 C ATOM 671 C GLU A 42 7.657 12.596 4.250 1.00 40.42 C ATOM 672 O GLU A 42 7.707 11.368 4.284 1.00 21.43 O ATOM 673 CB GLU A 42 9.755 14.071 4.535 1.00 30.51 C ATOM 674 CG GLU A 42 10.754 13.152 5.241 1.00 14.32 C ATOM 675 CD GLU A 42 11.985 12.830 4.392 1.00 3.02 C ATOM 676 OE1 GLU A 42 11.838 12.334 3.250 1.00 44.20 O ATOM 677 OE2 GLU A 42 13.125 13.058 4.852 1.00 2.14 O1- ATOM 0 H GLU A 42 8.616 15.292 2.861 1.00 33.24 H new ATOM 0 HA GLU A 42 9.373 12.590 3.045 1.00 33.03 H new ATOM 0 HB2 GLU A 42 10.308 14.830 3.982 1.00 30.51 H new ATOM 0 HB3 GLU A 42 9.165 14.592 5.289 1.00 30.51 H new ATOM 0 HG2 GLU A 42 11.075 13.622 6.171 1.00 14.32 H new ATOM 0 HG3 GLU A 42 10.254 12.222 5.510 1.00 14.32 H new ATOM 684 N HIS A 43 6.601 13.299 4.676 1.00 44.33 N ATOM 685 CA HIS A 43 5.390 12.724 5.247 1.00 44.01 C ATOM 686 C HIS A 43 4.752 11.733 4.270 1.00 54.41 C ATOM 687 O HIS A 43 4.500 10.580 4.634 1.00 14.03 O ATOM 688 CB HIS A 43 4.391 13.836 5.633 1.00 30.04 C ATOM 689 CG HIS A 43 3.363 13.380 6.633 1.00 15.00 C ATOM 690 ND1 HIS A 43 2.422 12.393 6.434 1.00 21.13 N ATOM 691 CD2 HIS A 43 3.229 13.837 7.917 1.00 25.41 C ATOM 692 CE1 HIS A 43 1.754 12.242 7.588 1.00 13.25 C ATOM 693 NE2 HIS A 43 2.216 13.087 8.525 1.00 71.41 N ATOM 0 H HIS A 43 6.571 14.317 4.629 1.00 44.33 H new ATOM 0 HA HIS A 43 5.660 12.181 6.153 1.00 44.01 H new ATOM 0 HB2 HIS A 43 4.940 14.683 6.044 1.00 30.04 H new ATOM 0 HB3 HIS A 43 3.885 14.190 4.735 1.00 30.04 H new ATOM 0 HD2 HIS A 43 3.800 14.630 8.376 1.00 25.41 H new ATOM 0 HE1 HIS A 43 0.952 11.535 7.743 1.00 13.25 H new ATOM 0 HE2 HIS A 43 1.892 13.166 9.489 1.00 71.41 H new ATOM 701 N THR A 44 4.462 12.161 3.037 1.00 62.13 N ATOM 702 CA THR A 44 3.821 11.309 2.042 1.00 71.14 C ATOM 703 C THR A 44 4.712 10.104 1.731 1.00 32.51 C ATOM 704 O THR A 44 4.214 8.980 1.694 1.00 73.14 O ATOM 705 CB THR A 44 3.514 12.103 0.758 1.00 22.00 C ATOM 706 OG1 THR A 44 2.941 13.359 1.064 1.00 22.10 O ATOM 707 CG2 THR A 44 2.545 11.334 -0.146 1.00 62.22 C ATOM 0 H THR A 44 4.666 13.104 2.706 1.00 62.13 H new ATOM 0 HA THR A 44 2.876 10.950 2.449 1.00 71.14 H new ATOM 0 HB THR A 44 4.461 12.249 0.239 1.00 22.00 H new ATOM 0 HG1 THR A 44 2.756 13.845 0.234 1.00 22.10 H new ATOM 0 HG21 THR A 44 2.346 11.917 -1.045 1.00 62.22 H new ATOM 0 HG22 THR A 44 2.988 10.378 -0.425 1.00 62.22 H new ATOM 0 HG23 THR A 44 1.611 11.159 0.388 1.00 62.22 H new ATOM 715 N ARG A 45 6.018 10.303 1.523 1.00 24.01 N ATOM 716 CA ARG A 45 6.950 9.217 1.228 1.00 72.21 C ATOM 717 C ARG A 45 6.975 8.217 2.380 1.00 64.44 C ATOM 718 O ARG A 45 6.839 7.021 2.128 1.00 71.53 O ATOM 719 CB ARG A 45 8.356 9.750 0.890 1.00 64.22 C ATOM 720 CG ARG A 45 8.525 10.137 -0.593 1.00 11.44 C ATOM 721 CD ARG A 45 7.927 11.504 -0.964 1.00 54.04 C ATOM 722 NE ARG A 45 8.257 11.947 -2.330 1.00 4.24 N ATOM 723 CZ ARG A 45 7.593 11.685 -3.466 1.00 42.41 C ATOM 724 NH1 ARG A 45 6.561 10.853 -3.502 1.00 25.00 N1+ ATOM 725 NH2 ARG A 45 7.991 12.249 -4.597 1.00 0.40 N ATOM 0 H ARG A 45 6.456 11.224 1.555 1.00 24.01 H new ATOM 0 HA ARG A 45 6.599 8.694 0.338 1.00 72.21 H new ATOM 0 HB2 ARG A 45 8.565 10.621 1.511 1.00 64.22 H new ATOM 0 HB3 ARG A 45 9.095 8.991 1.146 1.00 64.22 H new ATOM 0 HG2 ARG A 45 9.587 10.141 -0.836 1.00 11.44 H new ATOM 0 HG3 ARG A 45 8.059 9.370 -1.212 1.00 11.44 H new ATOM 0 HD2 ARG A 45 6.843 11.456 -0.860 1.00 54.04 H new ATOM 0 HD3 ARG A 45 8.283 12.251 -0.254 1.00 54.04 H new ATOM 0 HE ARG A 45 9.093 12.524 -2.423 1.00 4.24 H new ATOM 0 HH11 ARG A 45 6.249 10.390 -2.648 1.00 25.00 H new ATOM 0 HH12 ARG A 45 6.079 10.677 -4.383 1.00 25.00 H new ATOM 0 HH21 ARG A 45 8.796 12.876 -4.599 1.00 0.40 H new ATOM 0 HH22 ARG A 45 7.493 12.056 -5.466 1.00 0.40 H new ATOM 739 N GLN A 46 7.129 8.690 3.614 1.00 54.25 N ATOM 740 CA GLN A 46 7.156 7.853 4.810 1.00 14.35 C ATOM 741 C GLN A 46 5.844 7.095 5.012 1.00 34.32 C ATOM 742 O GLN A 46 5.892 5.944 5.441 1.00 63.33 O ATOM 743 CB GLN A 46 7.492 8.684 6.059 1.00 1.03 C ATOM 744 CG GLN A 46 8.985 9.045 6.141 1.00 71.03 C ATOM 745 CD GLN A 46 9.815 8.038 6.946 1.00 64.21 C ATOM 746 OE1 GLN A 46 9.739 6.746 6.668 1.00 2.51 O flip ATOM 747 NE2 GLN A 46 10.565 8.427 7.837 1.00 72.22 N flip ATOM 0 H GLN A 46 7.241 9.684 3.814 1.00 54.25 H new ATOM 0 HA GLN A 46 7.943 7.114 4.660 1.00 14.35 H new ATOM 0 HB2 GLN A 46 6.900 9.599 6.053 1.00 1.03 H new ATOM 0 HB3 GLN A 46 7.207 8.126 6.951 1.00 1.03 H new ATOM 0 HG2 GLN A 46 9.390 9.113 5.131 1.00 71.03 H new ATOM 0 HG3 GLN A 46 9.088 10.032 6.593 1.00 71.03 H new ATOM 0 HE21 GLN A 46 10.626 9.422 8.054 1.00 72.22 H new ATOM 0 HE22 GLN A 46 11.127 7.755 8.360 1.00 72.22 H new ATOM 756 N CYS A 47 4.693 7.688 4.691 1.00 43.24 N ATOM 757 CA CYS A 47 3.431 6.985 4.673 1.00 44.42 C ATOM 758 C CYS A 47 3.472 5.879 3.613 1.00 2.22 C ATOM 759 O CYS A 47 3.289 4.711 3.948 1.00 63.24 O ATOM 760 CB CYS A 47 2.320 8.012 4.437 1.00 3.33 C ATOM 761 SG CYS A 47 2.082 9.001 5.942 1.00 22.35 S ATOM 0 H CYS A 47 4.621 8.673 4.437 1.00 43.24 H new ATOM 0 HA CYS A 47 3.232 6.489 5.623 1.00 44.42 H new ATOM 0 HB2 CYS A 47 2.581 8.660 3.600 1.00 3.33 H new ATOM 0 HB3 CYS A 47 1.392 7.506 4.171 1.00 3.33 H new ATOM 0 HG CYS A 47 2.319 10.252 5.681 1.00 22.35 H new ATOM 767 N LEU A 48 3.741 6.234 2.353 1.00 4.13 N ATOM 768 CA LEU A 48 3.691 5.335 1.200 1.00 3.12 C ATOM 769 C LEU A 48 4.566 4.102 1.411 1.00 50.02 C ATOM 770 O LEU A 48 4.085 2.982 1.241 1.00 33.14 O ATOM 771 CB LEU A 48 4.153 6.088 -0.068 1.00 72.14 C ATOM 772 CG LEU A 48 3.467 5.672 -1.379 1.00 60.44 C ATOM 773 CD1 LEU A 48 3.254 4.171 -1.567 1.00 73.51 C ATOM 774 CD2 LEU A 48 2.134 6.395 -1.503 1.00 44.04 C ATOM 0 H LEU A 48 4.008 7.186 2.101 1.00 4.13 H new ATOM 0 HA LEU A 48 2.661 5.001 1.080 1.00 3.12 H new ATOM 0 HB2 LEU A 48 3.987 7.154 0.085 1.00 72.14 H new ATOM 0 HB3 LEU A 48 5.228 5.946 -0.181 1.00 72.14 H new ATOM 0 HG LEU A 48 4.160 5.960 -2.169 1.00 60.44 H new ATOM 0 HD11 LEU A 48 2.763 3.990 -2.523 1.00 73.51 H new ATOM 0 HD12 LEU A 48 4.218 3.662 -1.552 1.00 73.51 H new ATOM 0 HD13 LEU A 48 2.629 3.788 -0.760 1.00 73.51 H new ATOM 0 HD21 LEU A 48 1.646 6.101 -2.432 1.00 44.04 H new ATOM 0 HD22 LEU A 48 1.497 6.131 -0.659 1.00 44.04 H new ATOM 0 HD23 LEU A 48 2.303 7.472 -1.507 1.00 44.04 H new ATOM 786 N ILE A 49 5.850 4.296 1.744 1.00 4.15 N ATOM 787 CA ILE A 49 6.762 3.197 1.972 1.00 22.35 C ATOM 788 C ILE A 49 6.215 2.312 3.081 1.00 73.31 C ATOM 789 O ILE A 49 6.150 1.109 2.869 1.00 54.42 O ATOM 790 CB ILE A 49 8.225 3.645 2.188 1.00 2.24 C ATOM 791 CG1 ILE A 49 8.472 4.526 3.433 1.00 3.42 C ATOM 792 CG2 ILE A 49 8.734 4.344 0.916 1.00 45.11 C ATOM 793 CD1 ILE A 49 8.986 3.718 4.632 1.00 33.54 C ATOM 0 H ILE A 49 6.271 5.218 1.859 1.00 4.15 H new ATOM 0 HA ILE A 49 6.818 2.599 1.062 1.00 22.35 H new ATOM 0 HB ILE A 49 8.790 2.735 2.388 1.00 2.24 H new ATOM 0 HG12 ILE A 49 9.195 5.304 3.186 1.00 3.42 H new ATOM 0 HG13 ILE A 49 7.545 5.029 3.708 1.00 3.42 H new ATOM 0 HG21 ILE A 49 9.766 4.662 1.064 1.00 45.11 H new ATOM 0 HG22 ILE A 49 8.684 3.652 0.076 1.00 45.11 H new ATOM 0 HG23 ILE A 49 8.113 5.215 0.706 1.00 45.11 H new ATOM 0 HD11 ILE A 49 9.143 4.385 5.480 1.00 33.54 H new ATOM 0 HD12 ILE A 49 8.252 2.957 4.900 1.00 33.54 H new ATOM 0 HD13 ILE A 49 9.928 3.237 4.370 1.00 33.54 H new ATOM 805 N LYS A 50 5.752 2.878 4.202 1.00 54.03 N ATOM 806 CA LYS A 50 5.296 2.073 5.324 1.00 10.45 C ATOM 807 C LYS A 50 4.128 1.203 4.891 1.00 65.14 C ATOM 808 O LYS A 50 4.112 0.027 5.231 1.00 21.01 O ATOM 809 CB LYS A 50 4.946 2.975 6.518 1.00 64.21 C ATOM 810 CG LYS A 50 4.998 2.258 7.872 1.00 11.34 C ATOM 811 CD LYS A 50 6.449 1.991 8.296 1.00 30.02 C ATOM 812 CE LYS A 50 6.495 1.266 9.640 1.00 53.21 C ATOM 813 NZ LYS A 50 7.880 0.950 10.035 1.00 51.25 N1+ ATOM 0 H LYS A 50 5.686 3.885 4.349 1.00 54.03 H new ATOM 0 HA LYS A 50 6.095 1.408 5.651 1.00 10.45 H new ATOM 0 HB2 LYS A 50 5.635 3.819 6.538 1.00 64.21 H new ATOM 0 HB3 LYS A 50 3.946 3.383 6.372 1.00 64.21 H new ATOM 0 HG2 LYS A 50 4.500 2.864 8.628 1.00 11.34 H new ATOM 0 HG3 LYS A 50 4.454 1.316 7.810 1.00 11.34 H new ATOM 0 HD2 LYS A 50 6.950 1.391 7.536 1.00 30.02 H new ATOM 0 HD3 LYS A 50 6.992 2.934 8.367 1.00 30.02 H new ATOM 0 HE2 LYS A 50 6.030 1.887 10.406 1.00 53.21 H new ATOM 0 HE3 LYS A 50 5.914 0.346 9.579 1.00 53.21 H new ATOM 0 HZ1 LYS A 50 7.876 0.458 10.951 1.00 51.25 H new ATOM 0 HZ2 LYS A 50 8.315 0.338 9.316 1.00 51.25 H new ATOM 0 HZ3 LYS A 50 8.427 1.831 10.117 1.00 51.25 H new ATOM 827 N ILE A 51 3.172 1.744 4.135 1.00 24.51 N ATOM 828 CA ILE A 51 2.017 0.989 3.673 1.00 1.44 C ATOM 829 C ILE A 51 2.479 -0.133 2.745 1.00 1.23 C ATOM 830 O ILE A 51 2.110 -1.293 2.960 1.00 42.41 O ATOM 831 CB ILE A 51 0.965 1.894 3.002 1.00 34.42 C ATOM 832 CG1 ILE A 51 0.515 3.080 3.887 1.00 72.01 C ATOM 833 CG2 ILE A 51 -0.282 1.059 2.692 1.00 64.43 C ATOM 834 CD1 ILE A 51 0.130 4.292 3.036 1.00 62.13 C ATOM 0 H ILE A 51 3.181 2.717 3.828 1.00 24.51 H new ATOM 0 HA ILE A 51 1.524 0.546 4.538 1.00 1.44 H new ATOM 0 HB ILE A 51 1.435 2.300 2.106 1.00 34.42 H new ATOM 0 HG12 ILE A 51 -0.335 2.778 4.499 1.00 72.01 H new ATOM 0 HG13 ILE A 51 1.319 3.353 4.570 1.00 72.01 H new ATOM 0 HG21 ILE A 51 -1.033 1.690 2.217 1.00 64.43 H new ATOM 0 HG22 ILE A 51 -0.016 0.243 2.020 1.00 64.43 H new ATOM 0 HG23 ILE A 51 -0.685 0.650 3.618 1.00 64.43 H new ATOM 0 HD11 ILE A 51 -0.182 5.109 3.687 1.00 62.13 H new ATOM 0 HD12 ILE A 51 0.988 4.608 2.443 1.00 62.13 H new ATOM 0 HD13 ILE A 51 -0.691 4.024 2.371 1.00 62.13 H new ATOM 846 N GLY A 52 3.240 0.210 1.700 1.00 60.25 N ATOM 847 CA GLY A 52 3.605 -0.754 0.677 1.00 12.12 C ATOM 848 C GLY A 52 4.469 -1.866 1.262 1.00 41.42 C ATOM 849 O GLY A 52 4.324 -3.037 0.892 1.00 1.12 O ATOM 0 H GLY A 52 3.611 1.148 1.548 1.00 60.25 H new ATOM 0 HA2 GLY A 52 2.704 -1.181 0.236 1.00 12.12 H new ATOM 0 HA3 GLY A 52 4.145 -0.252 -0.126 1.00 12.12 H new ATOM 853 N ASP A 53 5.370 -1.509 2.166 1.00 15.43 N ATOM 854 CA ASP A 53 6.274 -2.425 2.832 1.00 23.03 C ATOM 855 C ASP A 53 5.476 -3.335 3.760 1.00 4.51 C ATOM 856 O ASP A 53 5.620 -4.546 3.654 1.00 64.45 O ATOM 857 CB ASP A 53 7.365 -1.622 3.554 1.00 51.04 C ATOM 858 CG ASP A 53 8.672 -2.396 3.679 1.00 41.21 C ATOM 859 OD1 ASP A 53 9.298 -2.628 2.616 1.00 2.34 O ATOM 860 OD2 ASP A 53 9.200 -2.523 4.800 1.00 74.02 O1- ATOM 0 H ASP A 53 5.493 -0.541 2.463 1.00 15.43 H new ATOM 0 HA ASP A 53 6.779 -3.072 2.115 1.00 23.03 H new ATOM 0 HB2 ASP A 53 7.547 -0.693 3.013 1.00 51.04 H new ATOM 0 HB3 ASP A 53 7.012 -1.348 4.548 1.00 51.04 H new ATOM 865 N HIS A 54 4.556 -2.799 4.574 1.00 4.14 N ATOM 866 CA HIS A 54 3.684 -3.609 5.425 1.00 61.14 C ATOM 867 C HIS A 54 2.808 -4.576 4.636 1.00 71.00 C ATOM 868 O HIS A 54 2.563 -5.677 5.128 1.00 13.33 O ATOM 869 CB HIS A 54 2.790 -2.740 6.314 1.00 31.12 C ATOM 870 CG HIS A 54 3.377 -2.526 7.682 1.00 71.42 C ATOM 871 ND1 HIS A 54 3.113 -3.318 8.772 1.00 41.41 N ATOM 872 CD2 HIS A 54 4.304 -1.593 8.056 1.00 41.53 C ATOM 873 CE1 HIS A 54 3.832 -2.846 9.803 1.00 33.05 C ATOM 874 NE2 HIS A 54 4.578 -1.796 9.414 1.00 52.53 N ATOM 0 H HIS A 54 4.398 -1.795 4.658 1.00 4.14 H new ATOM 0 HA HIS A 54 4.360 -4.194 6.048 1.00 61.14 H new ATOM 0 HB2 HIS A 54 2.633 -1.774 5.834 1.00 31.12 H new ATOM 0 HB3 HIS A 54 1.811 -3.210 6.411 1.00 31.12 H new ATOM 0 HD1 HIS A 54 2.484 -4.121 8.794 1.00 41.41 H new ATOM 0 HD2 HIS A 54 4.744 -0.838 7.421 1.00 41.53 H new ATOM 0 HE1 HIS A 54 3.814 -3.252 10.804 1.00 33.05 H new ATOM 882 N ILE A 55 2.329 -4.202 3.444 1.00 14.30 N ATOM 883 CA ILE A 55 1.665 -5.136 2.553 1.00 11.25 C ATOM 884 C ILE A 55 2.668 -6.252 2.253 1.00 40.53 C ATOM 885 O ILE A 55 2.370 -7.409 2.532 1.00 21.05 O ATOM 886 CB ILE A 55 1.105 -4.401 1.318 1.00 51.10 C ATOM 887 CG1 ILE A 55 -0.083 -3.512 1.729 1.00 44.42 C ATOM 888 CG2 ILE A 55 0.651 -5.350 0.208 1.00 13.04 C ATOM 889 CD1 ILE A 55 -0.668 -2.646 0.610 1.00 63.25 C ATOM 0 H ILE A 55 2.394 -3.251 3.080 1.00 14.30 H new ATOM 0 HA ILE A 55 0.784 -5.595 3.003 1.00 11.25 H new ATOM 0 HB ILE A 55 1.923 -3.799 0.922 1.00 51.10 H new ATOM 0 HG12 ILE A 55 -0.874 -4.150 2.124 1.00 44.42 H new ATOM 0 HG13 ILE A 55 0.236 -2.860 2.542 1.00 44.42 H new ATOM 0 HG21 ILE A 55 0.268 -4.771 -0.632 1.00 13.04 H new ATOM 0 HG22 ILE A 55 1.496 -5.953 -0.123 1.00 13.04 H new ATOM 0 HG23 ILE A 55 -0.135 -6.003 0.587 1.00 13.04 H new ATOM 0 HD11 ILE A 55 -1.498 -2.058 1.001 1.00 63.25 H new ATOM 0 HD12 ILE A 55 0.102 -1.976 0.228 1.00 63.25 H new ATOM 0 HD13 ILE A 55 -1.025 -3.286 -0.197 1.00 63.25 H new ATOM 901 N THR A 56 3.857 -5.924 1.742 1.00 5.22 N ATOM 902 CA THR A 56 4.861 -6.916 1.352 1.00 13.14 C ATOM 903 C THR A 56 5.195 -7.880 2.510 1.00 44.41 C ATOM 904 O THR A 56 5.303 -9.093 2.293 1.00 3.10 O ATOM 905 CB THR A 56 6.119 -6.209 0.807 1.00 23.42 C ATOM 906 OG1 THR A 56 5.766 -5.142 -0.055 1.00 70.12 O ATOM 907 CG2 THR A 56 6.980 -7.154 -0.028 1.00 44.22 C ATOM 0 H THR A 56 4.151 -4.960 1.587 1.00 5.22 H new ATOM 0 HA THR A 56 4.444 -7.531 0.554 1.00 13.14 H new ATOM 0 HB THR A 56 6.665 -5.856 1.682 1.00 23.42 H new ATOM 0 HG1 THR A 56 5.393 -4.405 0.472 1.00 70.12 H new ATOM 0 HG21 THR A 56 7.857 -6.620 -0.394 1.00 44.22 H new ATOM 0 HG22 THR A 56 7.299 -7.995 0.587 1.00 44.22 H new ATOM 0 HG23 THR A 56 6.400 -7.523 -0.874 1.00 44.22 H new ATOM 915 N GLU A 57 5.281 -7.347 3.733 1.00 33.02 N ATOM 916 CA GLU A 57 5.621 -8.056 4.960 1.00 24.11 C ATOM 917 C GLU A 57 4.546 -9.065 5.369 1.00 32.24 C ATOM 918 O GLU A 57 4.832 -10.000 6.117 1.00 3.40 O ATOM 919 CB GLU A 57 5.854 -7.042 6.094 1.00 61.11 C ATOM 920 CG GLU A 57 7.199 -6.299 5.987 1.00 73.54 C ATOM 921 CD GLU A 57 8.423 -7.169 6.296 1.00 61.31 C ATOM 922 OE1 GLU A 57 8.281 -8.369 6.614 1.00 10.24 O1- ATOM 923 OE2 GLU A 57 9.558 -6.653 6.219 1.00 1.40 O ATOM 0 H GLU A 57 5.105 -6.356 3.897 1.00 33.02 H new ATOM 0 HA GLU A 57 6.534 -8.621 4.771 1.00 24.11 H new ATOM 0 HB2 GLU A 57 5.044 -6.313 6.091 1.00 61.11 H new ATOM 0 HB3 GLU A 57 5.811 -7.562 7.051 1.00 61.11 H new ATOM 0 HG2 GLU A 57 7.299 -5.895 4.980 1.00 73.54 H new ATOM 0 HG3 GLU A 57 7.188 -5.450 6.671 1.00 73.54 H new ATOM 930 N CYS A 58 3.312 -8.902 4.899 1.00 11.34 N ATOM 931 CA CYS A 58 2.243 -9.869 5.085 1.00 0.31 C ATOM 932 C CYS A 58 2.230 -10.874 3.934 1.00 73.23 C ATOM 933 O CYS A 58 2.174 -12.078 4.156 1.00 13.34 O ATOM 934 CB CYS A 58 0.924 -9.106 5.155 1.00 31.54 C ATOM 935 SG CYS A 58 0.751 -8.424 6.833 1.00 43.24 S ATOM 0 H CYS A 58 3.026 -8.079 4.369 1.00 11.34 H new ATOM 0 HA CYS A 58 2.395 -10.430 6.007 1.00 0.31 H new ATOM 0 HB2 CYS A 58 0.908 -8.305 4.416 1.00 31.54 H new ATOM 0 HB3 CYS A 58 0.089 -9.768 4.926 1.00 31.54 H new ATOM 0 HG CYS A 58 -0.366 -7.765 6.921 1.00 43.24 H new ATOM 941 N LEU A 59 2.306 -10.384 2.696 1.00 64.12 N ATOM 942 CA LEU A 59 2.268 -11.200 1.488 1.00 53.20 C ATOM 943 C LEU A 59 3.381 -12.245 1.491 1.00 72.32 C ATOM 944 O LEU A 59 3.174 -13.312 0.919 1.00 72.00 O ATOM 945 CB LEU A 59 2.387 -10.354 0.209 1.00 14.43 C ATOM 946 CG LEU A 59 1.368 -9.226 0.019 1.00 53.24 C ATOM 947 CD1 LEU A 59 1.812 -8.335 -1.144 1.00 71.42 C ATOM 948 CD2 LEU A 59 -0.029 -9.781 -0.203 1.00 3.53 C ATOM 0 H LEU A 59 2.398 -9.386 2.504 1.00 64.12 H new ATOM 0 HA LEU A 59 1.297 -11.696 1.489 1.00 53.20 H new ATOM 0 HB2 LEU A 59 3.385 -9.916 0.185 1.00 14.43 H new ATOM 0 HB3 LEU A 59 2.313 -11.024 -0.648 1.00 14.43 H new ATOM 0 HG LEU A 59 1.326 -8.623 0.926 1.00 53.24 H new ATOM 0 HD11 LEU A 59 1.089 -7.531 -1.283 1.00 71.42 H new ATOM 0 HD12 LEU A 59 2.791 -7.909 -0.923 1.00 71.42 H new ATOM 0 HD13 LEU A 59 1.872 -8.930 -2.055 1.00 71.42 H new ATOM 0 HD21 LEU A 59 -0.731 -8.958 -0.335 1.00 3.53 H new ATOM 0 HD22 LEU A 59 -0.034 -10.408 -1.094 1.00 3.53 H new ATOM 0 HD23 LEU A 59 -0.326 -10.376 0.661 1.00 3.53 H new ATOM 960 N LYS A 60 4.555 -11.970 2.082 1.00 42.43 N ATOM 961 CA LYS A 60 5.621 -12.976 2.141 1.00 35.12 C ATOM 962 C LYS A 60 5.236 -14.199 2.968 1.00 40.54 C ATOM 963 O LYS A 60 5.888 -15.231 2.840 1.00 41.41 O ATOM 964 CB LYS A 60 6.922 -12.369 2.688 1.00 54.12 C ATOM 965 CG LYS A 60 6.818 -12.082 4.194 1.00 34.15 C ATOM 966 CD LYS A 60 7.702 -10.922 4.619 1.00 11.14 C ATOM 967 CE LYS A 60 9.179 -11.279 4.774 1.00 52.11 C ATOM 968 NZ LYS A 60 9.921 -10.095 5.246 1.00 72.35 N1+ ATOM 0 H LYS A 60 4.785 -11.077 2.517 1.00 42.43 H new ATOM 0 HA LYS A 60 5.779 -13.310 1.116 1.00 35.12 H new ATOM 0 HB2 LYS A 60 7.750 -13.053 2.503 1.00 54.12 H new ATOM 0 HB3 LYS A 60 7.146 -11.445 2.155 1.00 54.12 H new ATOM 0 HG2 LYS A 60 5.782 -11.860 4.449 1.00 34.15 H new ATOM 0 HG3 LYS A 60 7.099 -12.975 4.753 1.00 34.15 H new ATOM 0 HD2 LYS A 60 7.609 -10.122 3.884 1.00 11.14 H new ATOM 0 HD3 LYS A 60 7.334 -10.529 5.567 1.00 11.14 H new ATOM 0 HE2 LYS A 60 9.294 -12.100 5.482 1.00 52.11 H new ATOM 0 HE3 LYS A 60 9.584 -11.620 3.821 1.00 52.11 H new ATOM 0 HZ1 LYS A 60 10.684 -10.396 5.886 1.00 72.35 H new ATOM 0 HZ2 LYS A 60 10.330 -9.594 4.431 1.00 72.35 H new ATOM 0 HZ3 LYS A 60 9.273 -9.459 5.754 1.00 72.35 H new ATOM 982 N GLU A 61 4.241 -14.083 3.856 1.00 54.21 N ATOM 983 CA GLU A 61 3.908 -15.191 4.736 1.00 54.40 C ATOM 984 C GLU A 61 3.279 -16.305 3.915 1.00 62.01 C ATOM 985 O GLU A 61 3.484 -17.482 4.228 1.00 3.42 O ATOM 986 CB GLU A 61 2.973 -14.767 5.884 1.00 64.41 C ATOM 987 CG GLU A 61 3.381 -15.449 7.201 1.00 21.14 C ATOM 988 CD GLU A 61 2.202 -16.014 8.008 1.00 34.24 C ATOM 989 OE1 GLU A 61 1.676 -17.087 7.593 1.00 3.14 O ATOM 990 OE2 GLU A 61 1.842 -15.461 9.059 1.00 63.12 O1- ATOM 0 H GLU A 61 3.668 -13.248 3.978 1.00 54.21 H new ATOM 0 HA GLU A 61 4.828 -15.545 5.201 1.00 54.40 H new ATOM 0 HB2 GLU A 61 3.006 -13.684 6.005 1.00 64.41 H new ATOM 0 HB3 GLU A 61 1.944 -15.029 5.637 1.00 64.41 H new ATOM 0 HG2 GLU A 61 4.076 -16.259 6.978 1.00 21.14 H new ATOM 0 HG3 GLU A 61 3.918 -14.729 7.819 1.00 21.14 H new ATOM 997 N TYR A 62 2.543 -15.957 2.854 1.00 60.23 N ATOM 998 CA TYR A 62 1.996 -16.999 1.997 1.00 13.04 C ATOM 999 C TYR A 62 3.101 -17.575 1.105 1.00 13.02 C ATOM 1000 O TYR A 62 4.080 -16.895 0.781 1.00 51.53 O ATOM 1001 CB TYR A 62 0.827 -16.504 1.152 1.00 44.44 C ATOM 1002 CG TYR A 62 -0.025 -15.457 1.818 1.00 71.50 C ATOM 1003 CD1 TYR A 62 -0.647 -15.764 3.038 1.00 33.43 C ATOM 1004 CD2 TYR A 62 -0.100 -14.155 1.288 1.00 21.24 C ATOM 1005 CE1 TYR A 62 -1.305 -14.760 3.755 1.00 41.42 C ATOM 1006 CE2 TYR A 62 -0.802 -13.165 1.991 1.00 62.34 C ATOM 1007 CZ TYR A 62 -1.376 -13.447 3.247 1.00 11.34 C ATOM 1008 OH TYR A 62 -1.927 -12.439 3.975 1.00 10.34 O ATOM 0 H TYR A 62 2.322 -15.000 2.580 1.00 60.23 H new ATOM 0 HA TYR A 62 1.606 -17.784 2.644 1.00 13.04 H new ATOM 0 HB2 TYR A 62 1.216 -16.098 0.218 1.00 44.44 H new ATOM 0 HB3 TYR A 62 0.197 -17.355 0.891 1.00 44.44 H new ATOM 0 HD1 TYR A 62 -0.618 -16.773 3.422 1.00 33.43 H new ATOM 0 HD2 TYR A 62 0.379 -13.921 0.349 1.00 21.24 H new ATOM 0 HE1 TYR A 62 -1.762 -14.992 4.705 1.00 41.42 H new ATOM 0 HE2 TYR A 62 -0.904 -12.177 1.566 1.00 62.34 H new ATOM 0 HH TYR A 62 -1.886 -11.605 3.462 1.00 10.34 H new ATOM 1018 N THR A 63 2.899 -18.795 0.620 1.00 43.11 N ATOM 1019 CA THR A 63 3.828 -19.511 -0.241 1.00 35.33 C ATOM 1020 C THR A 63 3.178 -19.878 -1.572 1.00 12.01 C ATOM 1021 O THR A 63 3.876 -19.941 -2.591 1.00 41.13 O ATOM 1022 CB THR A 63 4.340 -20.768 0.485 1.00 2.33 C ATOM 1023 OG1 THR A 63 3.291 -21.449 1.144 1.00 32.45 O ATOM 1024 CG2 THR A 63 5.446 -20.432 1.483 1.00 31.03 C ATOM 0 H THR A 63 2.054 -19.329 0.824 1.00 43.11 H new ATOM 0 HA THR A 63 4.673 -18.859 -0.462 1.00 35.33 H new ATOM 0 HB THR A 63 4.754 -21.424 -0.281 1.00 2.33 H new ATOM 0 HG1 THR A 63 3.648 -22.243 1.594 1.00 32.45 H new ATOM 0 HG21 THR A 63 5.781 -21.345 1.975 1.00 31.03 H new ATOM 0 HG22 THR A 63 6.284 -19.974 0.957 1.00 31.03 H new ATOM 0 HG23 THR A 63 5.063 -19.737 2.230 1.00 31.03 H new ATOM 1032 N ASN A 64 1.870 -20.159 -1.608 1.00 22.12 N ATOM 1033 CA ASN A 64 1.220 -20.505 -2.869 1.00 20.34 C ATOM 1034 C ASN A 64 1.223 -19.271 -3.769 1.00 62.22 C ATOM 1035 O ASN A 64 0.965 -18.167 -3.277 1.00 24.00 O ATOM 1036 CB ASN A 64 -0.216 -20.998 -2.627 1.00 73.21 C ATOM 1037 CG ASN A 64 -0.243 -22.497 -2.389 1.00 21.22 C ATOM 1038 OD1 ASN A 64 -0.170 -22.948 -1.250 1.00 61.02 O ATOM 1039 ND2 ASN A 64 -0.302 -23.292 -3.439 1.00 53.22 N ATOM 0 H ASN A 64 1.255 -20.153 -0.794 1.00 22.12 H new ATOM 0 HA ASN A 64 1.765 -21.316 -3.352 1.00 20.34 H new ATOM 0 HB2 ASN A 64 -0.641 -20.482 -1.766 1.00 73.21 H new ATOM 0 HB3 ASN A 64 -0.839 -20.751 -3.487 1.00 73.21 H new ATOM 0 HD21 ASN A 64 -0.287 -24.304 -3.314 1.00 53.22 H new ATOM 0 HD22 ASN A 64 -0.362 -22.895 -4.377 1.00 53.22 H new ATOM 1046 N PRO A 65 1.407 -19.443 -5.089 1.00 2.25 N ATOM 1047 CA PRO A 65 1.461 -18.324 -6.014 1.00 15.53 C ATOM 1048 C PRO A 65 0.106 -17.628 -6.106 1.00 14.03 C ATOM 1049 O PRO A 65 0.048 -16.404 -6.209 1.00 64.50 O ATOM 1050 CB PRO A 65 1.923 -18.914 -7.345 1.00 31.12 C ATOM 1051 CG PRO A 65 1.544 -20.387 -7.260 1.00 31.01 C ATOM 1052 CD PRO A 65 1.747 -20.681 -5.778 1.00 54.11 C ATOM 0 HA PRO A 65 2.152 -17.547 -5.687 1.00 15.53 H new ATOM 0 HB2 PRO A 65 1.433 -18.426 -8.187 1.00 31.12 H new ATOM 0 HB3 PRO A 65 2.997 -18.788 -7.484 1.00 31.12 H new ATOM 0 HG2 PRO A 65 0.515 -20.562 -7.574 1.00 31.01 H new ATOM 0 HG3 PRO A 65 2.180 -21.009 -7.890 1.00 31.01 H new ATOM 0 HD2 PRO A 65 1.110 -21.502 -5.449 1.00 54.11 H new ATOM 0 HD3 PRO A 65 2.776 -20.975 -5.573 1.00 54.11 H new ATOM 1060 N GLU A 66 -0.987 -18.388 -6.018 1.00 13.54 N ATOM 1061 CA GLU A 66 -2.315 -17.798 -6.043 1.00 32.01 C ATOM 1062 C GLU A 66 -2.569 -16.985 -4.776 1.00 34.31 C ATOM 1063 O GLU A 66 -3.092 -15.883 -4.875 1.00 2.21 O ATOM 1064 CB GLU A 66 -3.385 -18.867 -6.277 1.00 33.45 C ATOM 1065 CG GLU A 66 -3.175 -19.508 -7.656 1.00 24.12 C ATOM 1066 CD GLU A 66 -4.404 -20.256 -8.157 1.00 62.35 C ATOM 1067 OE1 GLU A 66 -5.119 -20.884 -7.357 1.00 45.54 O1- ATOM 1068 OE2 GLU A 66 -4.628 -20.239 -9.392 1.00 0.13 O ATOM 0 H GLU A 66 -0.974 -19.404 -5.930 1.00 13.54 H new ATOM 0 HA GLU A 66 -2.373 -17.106 -6.883 1.00 32.01 H new ATOM 0 HB2 GLU A 66 -3.331 -19.628 -5.498 1.00 33.45 H new ATOM 0 HB3 GLU A 66 -4.378 -18.422 -6.219 1.00 33.45 H new ATOM 0 HG2 GLU A 66 -2.910 -18.732 -8.375 1.00 24.12 H new ATOM 0 HG3 GLU A 66 -2.332 -20.197 -7.606 1.00 24.12 H new ATOM 1075 N GLN A 67 -2.155 -17.452 -3.591 1.00 33.41 N ATOM 1076 CA GLN A 67 -2.306 -16.689 -2.359 1.00 44.41 C ATOM 1077 C GLN A 67 -1.539 -15.375 -2.463 1.00 71.14 C ATOM 1078 O GLN A 67 -2.136 -14.313 -2.289 1.00 63.51 O ATOM 1079 CB GLN A 67 -1.819 -17.510 -1.153 1.00 53.35 C ATOM 1080 CG GLN A 67 -2.795 -17.536 0.029 1.00 13.40 C ATOM 1081 CD GLN A 67 -2.517 -18.679 1.009 1.00 75.21 C ATOM 1082 OE1 GLN A 67 -2.311 -19.819 0.607 1.00 50.45 O ATOM 1083 NE2 GLN A 67 -2.505 -18.432 2.311 1.00 3.24 N ATOM 0 H GLN A 67 -1.711 -18.362 -3.466 1.00 33.41 H new ATOM 0 HA GLN A 67 -3.362 -16.465 -2.211 1.00 44.41 H new ATOM 0 HB2 GLN A 67 -1.632 -18.534 -1.477 1.00 53.35 H new ATOM 0 HB3 GLN A 67 -0.866 -17.104 -0.813 1.00 53.35 H new ATOM 0 HG2 GLN A 67 -2.738 -16.586 0.561 1.00 13.40 H new ATOM 0 HG3 GLN A 67 -3.813 -17.629 -0.349 1.00 13.40 H new ATOM 0 HE21 GLN A 67 -2.676 -17.486 2.652 1.00 3.24 H new ATOM 0 HE22 GLN A 67 -2.325 -19.188 2.972 1.00 3.24 H new ATOM 1092 N ILE A 68 -0.227 -15.425 -2.736 1.00 1.22 N ATOM 1093 CA ILE A 68 0.586 -14.213 -2.786 1.00 12.50 C ATOM 1094 C ILE A 68 0.034 -13.242 -3.836 1.00 71.12 C ATOM 1095 O ILE A 68 0.020 -12.042 -3.578 1.00 55.41 O ATOM 1096 CB ILE A 68 2.103 -14.495 -2.954 1.00 33.42 C ATOM 1097 CG1 ILE A 68 2.483 -15.193 -4.266 1.00 13.11 C ATOM 1098 CG2 ILE A 68 2.627 -15.359 -1.805 1.00 13.44 C ATOM 1099 CD1 ILE A 68 2.808 -14.227 -5.412 1.00 33.44 C ATOM 0 H ILE A 68 0.285 -16.287 -2.923 1.00 1.22 H new ATOM 0 HA ILE A 68 0.508 -13.728 -1.813 1.00 12.50 H new ATOM 0 HB ILE A 68 2.560 -13.506 -2.959 1.00 33.42 H new ATOM 0 HG12 ILE A 68 3.346 -15.834 -4.088 1.00 13.11 H new ATOM 0 HG13 ILE A 68 1.662 -15.842 -4.572 1.00 13.11 H new ATOM 0 HG21 ILE A 68 3.692 -15.543 -1.945 1.00 13.44 H new ATOM 0 HG22 ILE A 68 2.469 -14.841 -0.859 1.00 13.44 H new ATOM 0 HG23 ILE A 68 2.093 -16.309 -1.792 1.00 13.44 H new ATOM 0 HD11 ILE A 68 3.067 -14.796 -6.305 1.00 33.44 H new ATOM 0 HD12 ILE A 68 1.939 -13.603 -5.619 1.00 33.44 H new ATOM 0 HD13 ILE A 68 3.649 -13.595 -5.128 1.00 33.44 H new ATOM 1111 N LYS A 69 -0.444 -13.723 -4.992 1.00 64.12 N ATOM 1112 CA LYS A 69 -0.931 -12.872 -6.078 1.00 12.30 C ATOM 1113 C LYS A 69 -2.302 -12.293 -5.744 1.00 53.31 C ATOM 1114 O LYS A 69 -2.512 -11.090 -5.915 1.00 62.25 O ATOM 1115 CB LYS A 69 -0.946 -13.693 -7.376 1.00 34.45 C ATOM 1116 CG LYS A 69 -1.285 -12.870 -8.628 1.00 41.45 C ATOM 1117 CD LYS A 69 -1.088 -13.758 -9.866 1.00 30.22 C ATOM 1118 CE LYS A 69 -1.475 -13.091 -11.188 1.00 41.34 C ATOM 1119 NZ LYS A 69 -0.667 -11.896 -11.508 1.00 65.32 N1+ ATOM 0 H LYS A 69 -0.502 -14.720 -5.198 1.00 64.12 H new ATOM 0 HA LYS A 69 -0.265 -12.020 -6.212 1.00 12.30 H new ATOM 0 HB2 LYS A 69 0.031 -14.158 -7.512 1.00 34.45 H new ATOM 0 HB3 LYS A 69 -1.672 -14.500 -7.276 1.00 34.45 H new ATOM 0 HG2 LYS A 69 -2.313 -12.512 -8.579 1.00 41.45 H new ATOM 0 HG3 LYS A 69 -0.644 -11.990 -8.687 1.00 41.45 H new ATOM 0 HD2 LYS A 69 -0.042 -14.062 -9.918 1.00 30.22 H new ATOM 0 HD3 LYS A 69 -1.678 -14.666 -9.745 1.00 30.22 H new ATOM 0 HE2 LYS A 69 -1.371 -13.816 -11.995 1.00 41.34 H new ATOM 0 HE3 LYS A 69 -2.527 -12.808 -11.148 1.00 41.34 H new ATOM 0 HZ1 LYS A 69 -0.983 -11.496 -12.415 1.00 65.32 H new ATOM 0 HZ2 LYS A 69 -0.784 -11.186 -10.757 1.00 65.32 H new ATOM 0 HZ3 LYS A 69 0.336 -12.163 -11.578 1.00 65.32 H new ATOM 1133 N GLN A 70 -3.230 -13.123 -5.263 1.00 15.42 N ATOM 1134 CA GLN A 70 -4.568 -12.695 -4.897 1.00 72.22 C ATOM 1135 C GLN A 70 -4.451 -11.657 -3.788 1.00 73.44 C ATOM 1136 O GLN A 70 -4.972 -10.555 -3.942 1.00 2.02 O ATOM 1137 CB GLN A 70 -5.405 -13.907 -4.469 1.00 55.12 C ATOM 1138 CG GLN A 70 -6.891 -13.613 -4.238 1.00 63.14 C ATOM 1139 CD GLN A 70 -7.681 -13.396 -5.519 1.00 25.15 C ATOM 1140 OE1 GLN A 70 -7.742 -12.177 -6.026 1.00 54.22 O flip ATOM 1141 NE2 GLN A 70 -8.280 -14.319 -6.052 1.00 61.54 N flip ATOM 0 H GLN A 70 -3.065 -14.119 -5.118 1.00 15.42 H new ATOM 0 HA GLN A 70 -5.078 -12.241 -5.747 1.00 72.22 H new ATOM 0 HB2 GLN A 70 -5.316 -14.680 -5.233 1.00 55.12 H new ATOM 0 HB3 GLN A 70 -4.983 -14.316 -3.551 1.00 55.12 H new ATOM 0 HG2 GLN A 70 -7.334 -14.442 -3.685 1.00 63.14 H new ATOM 0 HG3 GLN A 70 -6.983 -12.726 -3.611 1.00 63.14 H new ATOM 0 HE21 GLN A 70 -8.228 -15.257 -5.655 1.00 61.54 H new ATOM 0 HE22 GLN A 70 -8.831 -14.151 -6.894 1.00 61.54 H new ATOM 1150 N TRP A 71 -3.743 -11.969 -2.697 1.00 63.41 N ATOM 1151 CA TRP A 71 -3.563 -11.039 -1.598 1.00 1.41 C ATOM 1152 C TRP A 71 -2.807 -9.795 -2.027 1.00 43.13 C ATOM 1153 O TRP A 71 -3.153 -8.709 -1.562 1.00 3.23 O ATOM 1154 CB TRP A 71 -2.879 -11.711 -0.412 1.00 34.40 C ATOM 1155 CG TRP A 71 -3.758 -12.655 0.335 1.00 43.52 C ATOM 1156 CD1 TRP A 71 -3.552 -13.976 0.508 1.00 51.30 C ATOM 1157 CD2 TRP A 71 -4.993 -12.347 1.037 1.00 15.24 C ATOM 1158 NE1 TRP A 71 -4.587 -14.519 1.241 1.00 63.04 N ATOM 1159 CE2 TRP A 71 -5.513 -13.557 1.578 1.00 61.24 C ATOM 1160 CE3 TRP A 71 -5.724 -11.159 1.261 1.00 64.35 C ATOM 1161 CZ2 TRP A 71 -6.732 -13.596 2.261 1.00 11.21 C ATOM 1162 CZ3 TRP A 71 -6.959 -11.187 1.930 1.00 70.25 C ATOM 1163 CH2 TRP A 71 -7.468 -12.410 2.405 1.00 10.30 C ATOM 0 H TRP A 71 -3.285 -12.870 -2.560 1.00 63.41 H new ATOM 0 HA TRP A 71 -4.557 -10.723 -1.281 1.00 1.41 H new ATOM 0 HB2 TRP A 71 -2.002 -12.251 -0.769 1.00 34.40 H new ATOM 0 HB3 TRP A 71 -2.523 -10.942 0.273 1.00 34.40 H new ATOM 0 HD1 TRP A 71 -2.704 -14.527 0.129 1.00 51.30 H new ATOM 0 HE1 TRP A 71 -4.657 -15.503 1.499 1.00 63.04 H new ATOM 0 HE3 TRP A 71 -5.328 -10.216 0.913 1.00 64.35 H new ATOM 0 HZ2 TRP A 71 -7.101 -14.524 2.671 1.00 11.21 H new ATOM 0 HZ3 TRP A 71 -7.516 -10.274 2.079 1.00 70.25 H new ATOM 0 HH2 TRP A 71 -8.435 -12.436 2.885 1.00 10.30 H new ATOM 1174 N ARG A 72 -1.819 -9.922 -2.927 1.00 1.43 N ATOM 1175 CA ARG A 72 -1.059 -8.782 -3.429 1.00 44.24 C ATOM 1176 C ARG A 72 -2.045 -7.750 -3.952 1.00 25.40 C ATOM 1177 O ARG A 72 -2.040 -6.609 -3.491 1.00 72.43 O ATOM 1178 CB ARG A 72 -0.021 -9.211 -4.481 1.00 20.22 C ATOM 1179 CG ARG A 72 0.542 -8.072 -5.344 1.00 24.51 C ATOM 1180 CD ARG A 72 1.705 -8.575 -6.214 1.00 4.10 C ATOM 1181 NE ARG A 72 3.012 -8.156 -5.688 1.00 14.41 N ATOM 1182 CZ ARG A 72 3.801 -8.761 -4.792 1.00 35.32 C ATOM 1183 NH1 ARG A 72 3.491 -9.928 -4.234 1.00 54.04 N1+ ATOM 1184 NH2 ARG A 72 4.927 -8.161 -4.444 1.00 74.24 N ATOM 0 H ARG A 72 -1.531 -10.817 -3.322 1.00 1.43 H new ATOM 0 HA ARG A 72 -0.476 -8.333 -2.624 1.00 44.24 H new ATOM 0 HB2 ARG A 72 0.807 -9.703 -3.972 1.00 20.22 H new ATOM 0 HB3 ARG A 72 -0.477 -9.952 -5.138 1.00 20.22 H new ATOM 0 HG2 ARG A 72 -0.246 -7.667 -5.979 1.00 24.51 H new ATOM 0 HG3 ARG A 72 0.885 -7.259 -4.704 1.00 24.51 H new ATOM 0 HD2 ARG A 72 1.670 -9.663 -6.271 1.00 4.10 H new ATOM 0 HD3 ARG A 72 1.586 -8.198 -7.230 1.00 4.10 H new ATOM 0 HE ARG A 72 3.370 -7.276 -6.060 1.00 14.41 H new ATOM 0 HH11 ARG A 72 2.621 -10.398 -4.485 1.00 54.04 H new ATOM 0 HH12 ARG A 72 4.123 -10.353 -3.555 1.00 54.04 H new ATOM 0 HH21 ARG A 72 5.174 -7.261 -4.856 1.00 74.24 H new ATOM 0 HH22 ARG A 72 5.548 -8.598 -3.763 1.00 74.24 H new ATOM 1198 N LYS A 73 -2.895 -8.136 -4.913 1.00 64.24 N ATOM 1199 CA LYS A 73 -3.862 -7.182 -5.438 1.00 2.53 C ATOM 1200 C LYS A 73 -4.940 -6.861 -4.408 1.00 1.23 C ATOM 1201 O LYS A 73 -5.381 -5.724 -4.392 1.00 55.21 O ATOM 1202 CB LYS A 73 -4.416 -7.588 -6.811 1.00 34.23 C ATOM 1203 CG LYS A 73 -5.441 -8.731 -6.826 1.00 63.11 C ATOM 1204 CD LYS A 73 -5.854 -9.000 -8.278 1.00 42.23 C ATOM 1205 CE LYS A 73 -6.955 -10.053 -8.400 1.00 22.32 C ATOM 1206 NZ LYS A 73 -8.305 -9.505 -8.143 1.00 41.12 N1+ ATOM 0 H LYS A 73 -2.930 -9.068 -5.326 1.00 64.24 H new ATOM 0 HA LYS A 73 -3.331 -6.249 -5.624 1.00 2.53 H new ATOM 0 HB2 LYS A 73 -4.876 -6.711 -7.266 1.00 34.23 H new ATOM 0 HB3 LYS A 73 -3.578 -7.873 -7.446 1.00 34.23 H new ATOM 0 HG2 LYS A 73 -5.012 -9.629 -6.382 1.00 63.11 H new ATOM 0 HG3 LYS A 73 -6.313 -8.465 -6.228 1.00 63.11 H new ATOM 0 HD2 LYS A 73 -6.197 -8.070 -8.731 1.00 42.23 H new ATOM 0 HD3 LYS A 73 -4.982 -9.327 -8.844 1.00 42.23 H new ATOM 0 HE2 LYS A 73 -6.928 -10.486 -9.400 1.00 22.32 H new ATOM 0 HE3 LYS A 73 -6.757 -10.862 -7.697 1.00 22.32 H new ATOM 0 HZ1 LYS A 73 -9.011 -10.262 -8.239 1.00 41.12 H new ATOM 0 HZ2 LYS A 73 -8.344 -9.116 -7.179 1.00 41.12 H new ATOM 0 HZ3 LYS A 73 -8.510 -8.751 -8.829 1.00 41.12 H new ATOM 1220 N ASN A 74 -5.347 -7.786 -3.529 1.00 53.23 N ATOM 1221 CA ASN A 74 -6.399 -7.531 -2.546 1.00 31.13 C ATOM 1222 C ASN A 74 -6.042 -6.327 -1.686 1.00 50.53 C ATOM 1223 O ASN A 74 -6.835 -5.397 -1.580 1.00 74.44 O ATOM 1224 CB ASN A 74 -6.656 -8.723 -1.606 1.00 21.11 C ATOM 1225 CG ASN A 74 -7.349 -9.920 -2.237 1.00 15.34 C ATOM 1226 OD1 ASN A 74 -8.012 -9.804 -3.266 1.00 63.22 O ATOM 1227 ND2 ASN A 74 -7.230 -11.092 -1.631 1.00 4.44 N ATOM 0 H ASN A 74 -4.956 -8.727 -3.482 1.00 53.23 H new ATOM 0 HA ASN A 74 -7.305 -7.350 -3.125 1.00 31.13 H new ATOM 0 HB2 ASN A 74 -5.701 -9.053 -1.197 1.00 21.11 H new ATOM 0 HB3 ASN A 74 -7.260 -8.377 -0.767 1.00 21.11 H new ATOM 0 HD21 ASN A 74 -7.692 -11.915 -2.017 1.00 4.44 H new ATOM 0 HD22 ASN A 74 -6.676 -11.171 -0.778 1.00 4.44 H new ATOM 1234 N LEU A 75 -4.868 -6.363 -1.051 1.00 65.10 N ATOM 1235 CA LEU A 75 -4.418 -5.313 -0.142 1.00 4.53 C ATOM 1236 C LEU A 75 -4.249 -3.984 -0.891 1.00 24.52 C ATOM 1237 O LEU A 75 -4.690 -2.940 -0.396 1.00 41.55 O ATOM 1238 CB LEU A 75 -3.155 -5.768 0.614 1.00 10.04 C ATOM 1239 CG LEU A 75 -3.367 -7.017 1.511 1.00 13.31 C ATOM 1240 CD1 LEU A 75 -2.074 -7.402 2.239 1.00 32.35 C ATOM 1241 CD2 LEU A 75 -4.467 -6.841 2.569 1.00 54.21 C ATOM 0 H LEU A 75 -4.201 -7.127 -1.156 1.00 65.10 H new ATOM 0 HA LEU A 75 -5.179 -5.131 0.617 1.00 4.53 H new ATOM 0 HB2 LEU A 75 -2.369 -5.984 -0.110 1.00 10.04 H new ATOM 0 HB3 LEU A 75 -2.800 -4.945 1.234 1.00 10.04 H new ATOM 0 HG LEU A 75 -3.678 -7.803 0.822 1.00 13.31 H new ATOM 0 HD11 LEU A 75 -2.253 -8.280 2.859 1.00 32.35 H new ATOM 0 HD12 LEU A 75 -1.298 -7.627 1.508 1.00 32.35 H new ATOM 0 HD13 LEU A 75 -1.750 -6.573 2.868 1.00 32.35 H new ATOM 0 HD21 LEU A 75 -4.556 -7.755 3.156 1.00 54.21 H new ATOM 0 HD22 LEU A 75 -4.210 -6.011 3.227 1.00 54.21 H new ATOM 0 HD23 LEU A 75 -5.416 -6.632 2.076 1.00 54.21 H new ATOM 1253 N TRP A 76 -3.688 -4.015 -2.106 1.00 13.51 N ATOM 1254 CA TRP A 76 -3.644 -2.830 -2.954 1.00 2.42 C ATOM 1255 C TRP A 76 -5.053 -2.273 -3.198 1.00 30.11 C ATOM 1256 O TRP A 76 -5.267 -1.091 -2.938 1.00 22.05 O ATOM 1257 CB TRP A 76 -2.879 -3.104 -4.260 1.00 34.53 C ATOM 1258 CG TRP A 76 -1.381 -3.041 -4.143 1.00 52.32 C ATOM 1259 CD1 TRP A 76 -0.495 -4.015 -4.461 1.00 3.24 C ATOM 1260 CD2 TRP A 76 -0.571 -1.930 -3.657 1.00 74.43 C ATOM 1261 NE1 TRP A 76 0.791 -3.588 -4.188 1.00 61.30 N ATOM 1262 CE2 TRP A 76 0.805 -2.300 -3.696 1.00 73.42 C ATOM 1263 CE3 TRP A 76 -0.869 -0.642 -3.169 1.00 24.41 C ATOM 1264 CZ2 TRP A 76 1.826 -1.437 -3.262 1.00 54.25 C ATOM 1265 CZ3 TRP A 76 0.140 0.228 -2.724 1.00 54.41 C ATOM 1266 CH2 TRP A 76 1.482 -0.175 -2.753 1.00 33.11 C ATOM 0 H TRP A 76 -3.262 -4.846 -2.517 1.00 13.51 H new ATOM 0 HA TRP A 76 -3.087 -2.055 -2.428 1.00 2.42 H new ATOM 0 HB2 TRP A 76 -3.159 -4.091 -4.627 1.00 34.53 H new ATOM 0 HB3 TRP A 76 -3.201 -2.382 -5.010 1.00 34.53 H new ATOM 0 HD1 TRP A 76 -0.755 -4.981 -4.867 1.00 3.24 H new ATOM 0 HE1 TRP A 76 1.626 -4.155 -4.333 1.00 61.30 H new ATOM 0 HE3 TRP A 76 -1.898 -0.316 -3.136 1.00 24.41 H new ATOM 0 HZ2 TRP A 76 2.861 -1.741 -3.319 1.00 54.25 H new ATOM 0 HZ3 TRP A 76 -0.119 1.211 -2.358 1.00 54.41 H new ATOM 0 HH2 TRP A 76 2.252 0.486 -2.383 1.00 33.11 H new ATOM 1277 N ILE A 77 -6.000 -3.095 -3.663 1.00 1.43 N ATOM 1278 CA ILE A 77 -7.377 -2.704 -3.971 1.00 32.02 C ATOM 1279 C ILE A 77 -8.019 -2.071 -2.739 1.00 35.11 C ATOM 1280 O ILE A 77 -8.632 -1.005 -2.850 1.00 41.01 O ATOM 1281 CB ILE A 77 -8.180 -3.902 -4.539 1.00 24.14 C ATOM 1282 CG1 ILE A 77 -7.638 -4.193 -5.953 1.00 65.31 C ATOM 1283 CG2 ILE A 77 -9.695 -3.620 -4.613 1.00 5.42 C ATOM 1284 CD1 ILE A 77 -8.078 -5.535 -6.547 1.00 32.44 C ATOM 0 H ILE A 77 -5.821 -4.083 -3.841 1.00 1.43 H new ATOM 0 HA ILE A 77 -7.379 -1.949 -4.757 1.00 32.02 H new ATOM 0 HB ILE A 77 -8.055 -4.756 -3.873 1.00 24.14 H new ATOM 0 HG12 ILE A 77 -7.958 -3.394 -6.621 1.00 65.31 H new ATOM 0 HG13 ILE A 77 -6.549 -4.165 -5.922 1.00 65.31 H new ATOM 0 HG21 ILE A 77 -10.208 -4.492 -5.018 1.00 5.42 H new ATOM 0 HG22 ILE A 77 -10.075 -3.407 -3.614 1.00 5.42 H new ATOM 0 HG23 ILE A 77 -9.874 -2.761 -5.260 1.00 5.42 H new ATOM 0 HD11 ILE A 77 -7.648 -5.651 -7.542 1.00 32.44 H new ATOM 0 HD12 ILE A 77 -7.734 -6.347 -5.906 1.00 32.44 H new ATOM 0 HD13 ILE A 77 -9.165 -5.563 -6.616 1.00 32.44 H new ATOM 1296 N PHE A 78 -7.854 -2.727 -1.589 1.00 63.05 N ATOM 1297 CA PHE A 78 -8.348 -2.275 -0.294 1.00 71.52 C ATOM 1298 C PHE A 78 -7.902 -0.838 -0.034 1.00 63.24 C ATOM 1299 O PHE A 78 -8.755 0.004 0.254 1.00 12.03 O ATOM 1300 CB PHE A 78 -7.895 -3.222 0.832 1.00 45.03 C ATOM 1301 CG PHE A 78 -8.389 -2.849 2.221 1.00 51.35 C ATOM 1302 CD1 PHE A 78 -9.686 -3.208 2.636 1.00 11.10 C ATOM 1303 CD2 PHE A 78 -7.541 -2.167 3.117 1.00 64.41 C ATOM 1304 CE1 PHE A 78 -10.134 -2.885 3.928 1.00 12.10 C ATOM 1305 CE2 PHE A 78 -7.985 -1.854 4.414 1.00 14.45 C ATOM 1306 CZ PHE A 78 -9.281 -2.211 4.818 1.00 25.55 C ATOM 0 H PHE A 78 -7.356 -3.616 -1.535 1.00 63.05 H new ATOM 0 HA PHE A 78 -9.438 -2.294 -0.310 1.00 71.52 H new ATOM 0 HB2 PHE A 78 -8.238 -4.230 0.599 1.00 45.03 H new ATOM 0 HB3 PHE A 78 -6.805 -3.251 0.846 1.00 45.03 H new ATOM 0 HD1 PHE A 78 -10.340 -3.735 1.957 1.00 11.10 H new ATOM 0 HD2 PHE A 78 -6.546 -1.884 2.806 1.00 64.41 H new ATOM 0 HE1 PHE A 78 -11.133 -3.155 4.237 1.00 12.10 H new ATOM 0 HE2 PHE A 78 -7.329 -1.339 5.100 1.00 14.45 H new ATOM 0 HZ PHE A 78 -9.623 -1.968 5.813 1.00 25.55 H new ATOM 1316 N VAL A 79 -6.600 -0.547 -0.131 1.00 42.13 N ATOM 1317 CA VAL A 79 -6.131 0.816 0.140 1.00 72.11 C ATOM 1318 C VAL A 79 -6.589 1.790 -0.946 1.00 63.14 C ATOM 1319 O VAL A 79 -6.996 2.894 -0.598 1.00 61.34 O ATOM 1320 CB VAL A 79 -4.610 0.871 0.361 1.00 54.40 C ATOM 1321 CG1 VAL A 79 -4.139 2.285 0.737 1.00 35.12 C ATOM 1322 CG2 VAL A 79 -4.226 -0.066 1.511 1.00 22.13 C ATOM 0 H VAL A 79 -5.872 -1.214 -0.387 1.00 42.13 H new ATOM 0 HA VAL A 79 -6.591 1.135 1.075 1.00 72.11 H new ATOM 0 HB VAL A 79 -4.136 0.572 -0.574 1.00 54.40 H new ATOM 0 HG11 VAL A 79 -3.059 2.282 0.885 1.00 35.12 H new ATOM 0 HG12 VAL A 79 -4.393 2.978 -0.065 1.00 35.12 H new ATOM 0 HG13 VAL A 79 -4.630 2.599 1.658 1.00 35.12 H new ATOM 0 HG21 VAL A 79 -3.148 -0.027 1.668 1.00 22.13 H new ATOM 0 HG22 VAL A 79 -4.737 0.247 2.422 1.00 22.13 H new ATOM 0 HG23 VAL A 79 -4.520 -1.086 1.263 1.00 22.13 H new ATOM 1332 N SER A 80 -6.590 1.407 -2.224 1.00 34.12 N ATOM 1333 CA SER A 80 -7.006 2.325 -3.296 1.00 61.41 C ATOM 1334 C SER A 80 -8.459 2.798 -3.198 1.00 21.53 C ATOM 1335 O SER A 80 -8.837 3.720 -3.913 1.00 43.34 O ATOM 1336 CB SER A 80 -6.767 1.742 -4.686 1.00 54.34 C ATOM 1337 OG SER A 80 -6.996 0.356 -4.756 1.00 43.03 O ATOM 0 H SER A 80 -6.312 0.479 -2.544 1.00 34.12 H new ATOM 0 HA SER A 80 -6.369 3.197 -3.148 1.00 61.41 H new ATOM 0 HB2 SER A 80 -7.417 2.247 -5.401 1.00 54.34 H new ATOM 0 HB3 SER A 80 -5.740 1.949 -4.987 1.00 54.34 H new ATOM 0 HG SER A 80 -7.664 0.101 -4.086 1.00 43.03 H new ATOM 1343 N LYS A 81 -9.289 2.172 -2.362 1.00 14.35 N ATOM 1344 CA LYS A 81 -10.619 2.683 -2.061 1.00 53.15 C ATOM 1345 C LYS A 81 -10.535 3.802 -1.029 1.00 44.31 C ATOM 1346 O LYS A 81 -11.220 4.809 -1.190 1.00 0.54 O ATOM 1347 CB LYS A 81 -11.497 1.528 -1.590 1.00 41.41 C ATOM 1348 CG LYS A 81 -12.025 0.733 -2.796 1.00 35.41 C ATOM 1349 CD LYS A 81 -12.257 -0.732 -2.420 1.00 70.23 C ATOM 1350 CE LYS A 81 -13.227 -1.460 -3.376 1.00 21.01 C ATOM 1351 NZ LYS A 81 -12.934 -1.268 -4.820 1.00 70.41 N1+ ATOM 0 H LYS A 81 -9.057 1.304 -1.880 1.00 14.35 H new ATOM 0 HA LYS A 81 -11.070 3.113 -2.955 1.00 53.15 H new ATOM 0 HB2 LYS A 81 -10.925 0.871 -0.935 1.00 41.41 H new ATOM 0 HB3 LYS A 81 -12.333 1.912 -1.005 1.00 41.41 H new ATOM 0 HG2 LYS A 81 -12.957 1.175 -3.149 1.00 35.41 H new ATOM 0 HG3 LYS A 81 -11.312 0.794 -3.618 1.00 35.41 H new ATOM 0 HD2 LYS A 81 -11.301 -1.255 -2.416 1.00 70.23 H new ATOM 0 HD3 LYS A 81 -12.652 -0.782 -1.405 1.00 70.23 H new ATOM 0 HE2 LYS A 81 -13.204 -2.527 -3.153 1.00 21.01 H new ATOM 0 HE3 LYS A 81 -14.241 -1.115 -3.176 1.00 21.01 H new ATOM 0 HZ1 LYS A 81 -13.589 -1.843 -5.387 1.00 70.41 H new ATOM 0 HZ2 LYS A 81 -13.051 -0.265 -5.068 1.00 70.41 H new ATOM 0 HZ3 LYS A 81 -11.956 -1.561 -5.018 1.00 70.41 H new ATOM 1365 N PHE A 82 -9.710 3.632 0.003 1.00 71.53 N ATOM 1366 CA PHE A 82 -9.414 4.701 0.949 1.00 3.11 C ATOM 1367 C PHE A 82 -8.862 5.947 0.257 1.00 61.04 C ATOM 1368 O PHE A 82 -9.402 7.025 0.504 1.00 45.15 O ATOM 1369 CB PHE A 82 -8.480 4.242 2.074 1.00 72.45 C ATOM 1370 CG PHE A 82 -9.207 3.463 3.144 1.00 40.53 C ATOM 1371 CD1 PHE A 82 -9.354 2.070 3.031 1.00 61.03 C ATOM 1372 CD2 PHE A 82 -9.773 4.144 4.237 1.00 43.53 C ATOM 1373 CE1 PHE A 82 -10.082 1.359 3.996 1.00 43.31 C ATOM 1374 CE2 PHE A 82 -10.489 3.431 5.211 1.00 11.10 C ATOM 1375 CZ PHE A 82 -10.655 2.041 5.085 1.00 61.24 C ATOM 0 H PHE A 82 -9.232 2.754 0.204 1.00 71.53 H new ATOM 0 HA PHE A 82 -10.366 4.971 1.405 1.00 3.11 H new ATOM 0 HB2 PHE A 82 -7.686 3.624 1.654 1.00 72.45 H new ATOM 0 HB3 PHE A 82 -8.002 5.112 2.524 1.00 72.45 H new ATOM 0 HD1 PHE A 82 -8.906 1.546 2.200 1.00 61.03 H new ATOM 0 HD2 PHE A 82 -9.657 5.214 4.327 1.00 43.53 H new ATOM 0 HE1 PHE A 82 -10.203 0.290 3.903 1.00 43.31 H new ATOM 0 HE2 PHE A 82 -10.913 3.951 6.058 1.00 11.10 H new ATOM 0 HZ PHE A 82 -11.223 1.496 5.825 1.00 61.24 H new ATOM 1385 N THR A 83 -7.797 5.832 -0.540 1.00 61.12 N ATOM 1386 CA THR A 83 -7.234 6.973 -1.266 1.00 12.22 C ATOM 1387 C THR A 83 -8.021 7.183 -2.568 1.00 51.24 C ATOM 1388 O THR A 83 -8.884 6.375 -2.895 1.00 21.11 O ATOM 1389 CB THR A 83 -5.709 6.784 -1.441 1.00 21.14 C ATOM 1390 OG1 THR A 83 -5.098 7.832 -2.166 1.00 14.11 O ATOM 1391 CG2 THR A 83 -5.319 5.494 -2.157 1.00 21.44 C ATOM 0 H THR A 83 -7.304 4.953 -0.700 1.00 61.12 H new ATOM 0 HA THR A 83 -7.342 7.899 -0.702 1.00 12.22 H new ATOM 0 HB THR A 83 -5.355 6.762 -0.410 1.00 21.14 H new ATOM 0 HG1 THR A 83 -4.769 8.512 -1.542 1.00 14.11 H new ATOM 0 HG21 THR A 83 -4.234 5.437 -2.239 1.00 21.44 H new ATOM 0 HG22 THR A 83 -5.685 4.638 -1.590 1.00 21.44 H new ATOM 0 HG23 THR A 83 -5.760 5.484 -3.154 1.00 21.44 H new ATOM 1399 N GLU A 84 -7.742 8.247 -3.324 1.00 33.14 N ATOM 1400 CA GLU A 84 -8.162 8.338 -4.721 1.00 74.01 C ATOM 1401 C GLU A 84 -7.209 7.547 -5.630 1.00 43.32 C ATOM 1402 O GLU A 84 -7.563 7.229 -6.769 1.00 63.43 O ATOM 1403 CB GLU A 84 -8.197 9.805 -5.174 1.00 14.25 C ATOM 1404 CG GLU A 84 -9.193 10.655 -4.376 1.00 22.52 C ATOM 1405 CD GLU A 84 -9.420 12.009 -5.049 1.00 53.53 C ATOM 1406 OE1 GLU A 84 -8.446 12.737 -5.353 1.00 3.33 O ATOM 1407 OE2 GLU A 84 -10.593 12.371 -5.304 1.00 15.35 O1- ATOM 0 H GLU A 84 -7.225 9.060 -2.989 1.00 33.14 H new ATOM 0 HA GLU A 84 -9.162 7.911 -4.799 1.00 74.01 H new ATOM 0 HB2 GLU A 84 -7.200 10.234 -5.074 1.00 14.25 H new ATOM 0 HB3 GLU A 84 -8.458 9.847 -6.232 1.00 14.25 H new ATOM 0 HG2 GLU A 84 -10.141 10.125 -4.289 1.00 22.52 H new ATOM 0 HG3 GLU A 84 -8.818 10.806 -3.364 1.00 22.52 H new ATOM 1414 N PHE A 85 -5.990 7.241 -5.168 1.00 73.53 N ATOM 1415 CA PHE A 85 -5.004 6.576 -5.998 1.00 60.43 C ATOM 1416 C PHE A 85 -5.303 5.084 -6.157 1.00 31.05 C ATOM 1417 O PHE A 85 -5.005 4.270 -5.281 1.00 71.34 O ATOM 1418 CB PHE A 85 -3.578 6.789 -5.504 1.00 20.01 C ATOM 1419 CG PHE A 85 -3.000 8.175 -5.687 1.00 53.30 C ATOM 1420 CD1 PHE A 85 -2.741 8.655 -6.982 1.00 1.42 C ATOM 1421 CD2 PHE A 85 -2.535 8.888 -4.569 1.00 44.43 C ATOM 1422 CE1 PHE A 85 -1.929 9.784 -7.164 1.00 70.20 C ATOM 1423 CE2 PHE A 85 -1.704 10.005 -4.747 1.00 63.20 C ATOM 1424 CZ PHE A 85 -1.380 10.431 -6.045 1.00 71.12 C ATOM 0 H PHE A 85 -5.672 7.448 -4.221 1.00 73.53 H new ATOM 0 HA PHE A 85 -5.079 7.043 -6.980 1.00 60.43 H new ATOM 0 HB2 PHE A 85 -3.544 6.543 -4.443 1.00 20.01 H new ATOM 0 HB3 PHE A 85 -2.930 6.079 -6.017 1.00 20.01 H new ATOM 0 HD1 PHE A 85 -3.168 8.154 -7.838 1.00 1.42 H new ATOM 0 HD2 PHE A 85 -2.817 8.577 -3.574 1.00 44.43 H new ATOM 0 HE1 PHE A 85 -1.727 10.154 -8.159 1.00 70.20 H new ATOM 0 HE2 PHE A 85 -1.316 10.534 -3.889 1.00 63.20 H new ATOM 0 HZ PHE A 85 -0.704 11.262 -6.184 1.00 71.12 H new ATOM 1434 N ASP A 86 -5.831 4.741 -7.332 1.00 63.21 N ATOM 1435 CA ASP A 86 -6.139 3.385 -7.790 1.00 42.44 C ATOM 1436 C ASP A 86 -4.987 2.402 -7.605 1.00 50.23 C ATOM 1437 O ASP A 86 -3.823 2.794 -7.566 1.00 3.02 O ATOM 1438 CB ASP A 86 -6.446 3.394 -9.289 1.00 35.42 C ATOM 1439 CG ASP A 86 -7.287 2.187 -9.678 1.00 61.50 C ATOM 1440 OD1 ASP A 86 -8.475 2.129 -9.306 1.00 23.14 O1- ATOM 1441 OD2 ASP A 86 -6.716 1.244 -10.282 1.00 54.44 O ATOM 0 H ASP A 86 -6.070 5.444 -8.032 1.00 63.21 H new ATOM 0 HA ASP A 86 -6.987 3.066 -7.185 1.00 42.44 H new ATOM 0 HB2 ASP A 86 -6.975 4.310 -9.550 1.00 35.42 H new ATOM 0 HB3 ASP A 86 -5.515 3.391 -9.855 1.00 35.42 H new ATOM 1446 N ALA A 87 -5.280 1.108 -7.694 1.00 34.50 N ATOM 1447 CA ALA A 87 -4.279 0.043 -7.748 1.00 54.34 C ATOM 1448 C ALA A 87 -3.313 0.199 -8.934 1.00 42.15 C ATOM 1449 O ALA A 87 -2.180 -0.290 -8.882 1.00 54.10 O ATOM 1450 CB ALA A 87 -4.983 -1.319 -7.772 1.00 13.05 C ATOM 0 H ALA A 87 -6.239 0.762 -7.731 1.00 34.50 H new ATOM 0 HA ALA A 87 -3.663 0.113 -6.851 1.00 54.34 H new ATOM 0 HB1 ALA A 87 -4.238 -2.113 -7.812 1.00 13.05 H new ATOM 0 HB2 ALA A 87 -5.586 -1.433 -6.871 1.00 13.05 H new ATOM 0 HB3 ALA A 87 -5.626 -1.381 -8.650 1.00 13.05 H new ATOM 1456 N ARG A 88 -3.717 0.890 -10.010 1.00 54.42 N ATOM 1457 CA ARG A 88 -2.816 1.215 -11.119 1.00 71.23 C ATOM 1458 C ARG A 88 -1.936 2.442 -10.826 1.00 35.22 C ATOM 1459 O ARG A 88 -0.942 2.642 -11.528 1.00 74.21 O ATOM 1460 CB ARG A 88 -3.638 1.401 -12.404 1.00 33.21 C ATOM 1461 CG ARG A 88 -2.823 1.090 -13.674 1.00 42.33 C ATOM 1462 CD ARG A 88 -3.430 1.746 -14.924 1.00 12.42 C ATOM 1463 NE ARG A 88 -4.017 0.800 -15.888 1.00 52.53 N ATOM 1464 CZ ARG A 88 -3.332 0.069 -16.778 1.00 51.53 C ATOM 1465 NH1 ARG A 88 -2.032 -0.169 -16.620 1.00 3.04 N1+ ATOM 1466 NH2 ARG A 88 -3.952 -0.408 -17.845 1.00 13.42 N ATOM 0 H ARG A 88 -4.669 1.235 -10.133 1.00 54.42 H new ATOM 0 HA ARG A 88 -2.126 0.382 -11.252 1.00 71.23 H new ATOM 0 HB2 ARG A 88 -4.513 0.752 -12.369 1.00 33.21 H new ATOM 0 HB3 ARG A 88 -4.004 2.427 -12.453 1.00 33.21 H new ATOM 0 HG2 ARG A 88 -1.799 1.440 -13.542 1.00 42.33 H new ATOM 0 HG3 ARG A 88 -2.775 0.011 -13.818 1.00 42.33 H new ATOM 0 HD2 ARG A 88 -4.201 2.451 -14.611 1.00 12.42 H new ATOM 0 HD3 ARG A 88 -2.655 2.324 -15.428 1.00 12.42 H new ATOM 0 HE ARG A 88 -5.031 0.692 -15.877 1.00 52.53 H new ATOM 0 HH11 ARG A 88 -1.539 0.207 -15.810 1.00 3.04 H new ATOM 0 HH12 ARG A 88 -1.528 -0.728 -17.309 1.00 3.04 H new ATOM 0 HH21 ARG A 88 -4.944 -0.218 -17.986 1.00 13.42 H new ATOM 0 HH22 ARG A 88 -3.438 -0.965 -18.527 1.00 13.42 H new ATOM 1480 N LYS A 89 -2.275 3.282 -9.841 1.00 15.10 N ATOM 1481 CA LYS A 89 -1.450 4.418 -9.425 1.00 14.14 C ATOM 1482 C LYS A 89 -0.547 4.009 -8.248 1.00 2.34 C ATOM 1483 O LYS A 89 0.680 4.090 -8.356 1.00 51.34 O ATOM 1484 CB LYS A 89 -2.319 5.639 -9.052 1.00 41.42 C ATOM 1485 CG LYS A 89 -3.079 6.351 -10.192 1.00 43.13 C ATOM 1486 CD LYS A 89 -4.401 5.702 -10.595 1.00 64.32 C ATOM 1487 CE LYS A 89 -5.275 6.600 -11.487 1.00 13.54 C ATOM 1488 NZ LYS A 89 -6.010 7.656 -10.752 1.00 75.22 N1+ ATOM 0 H LYS A 89 -3.139 3.190 -9.306 1.00 15.10 H new ATOM 0 HA LYS A 89 -0.822 4.710 -10.266 1.00 14.14 H new ATOM 0 HB2 LYS A 89 -3.050 5.317 -8.311 1.00 41.42 H new ATOM 0 HB3 LYS A 89 -1.676 6.373 -8.567 1.00 41.42 H new ATOM 0 HG2 LYS A 89 -3.275 7.380 -9.890 1.00 43.13 H new ATOM 0 HG3 LYS A 89 -2.432 6.394 -11.068 1.00 43.13 H new ATOM 0 HD2 LYS A 89 -4.194 4.770 -11.122 1.00 64.32 H new ATOM 0 HD3 LYS A 89 -4.959 5.443 -9.695 1.00 64.32 H new ATOM 0 HE2 LYS A 89 -4.643 7.070 -12.240 1.00 13.54 H new ATOM 0 HE3 LYS A 89 -5.993 5.976 -12.018 1.00 13.54 H new ATOM 0 HZ1 LYS A 89 -6.574 8.217 -11.422 1.00 75.22 H new ATOM 0 HZ2 LYS A 89 -6.640 7.217 -10.051 1.00 75.22 H new ATOM 0 HZ3 LYS A 89 -5.332 8.277 -10.266 1.00 75.22 H new ATOM 1502 N LEU A 90 -1.132 3.528 -7.146 1.00 2.34 N ATOM 1503 CA LEU A 90 -0.451 3.354 -5.862 1.00 62.33 C ATOM 1504 C LEU A 90 0.755 2.435 -5.963 1.00 70.22 C ATOM 1505 O LEU A 90 1.828 2.723 -5.435 1.00 13.11 O ATOM 1506 CB LEU A 90 -1.436 2.822 -4.807 1.00 42.24 C ATOM 1507 CG LEU A 90 -1.527 3.719 -3.564 1.00 14.23 C ATOM 1508 CD1 LEU A 90 -2.547 3.149 -2.576 1.00 34.32 C ATOM 1509 CD2 LEU A 90 -0.186 4.027 -2.883 1.00 43.35 C ATOM 0 H LEU A 90 -2.111 3.244 -7.123 1.00 2.34 H new ATOM 0 HA LEU A 90 -0.083 4.334 -5.558 1.00 62.33 H new ATOM 0 HB2 LEU A 90 -2.425 2.730 -5.255 1.00 42.24 H new ATOM 0 HB3 LEU A 90 -1.129 1.821 -4.504 1.00 42.24 H new ATOM 0 HG LEU A 90 -1.869 4.690 -3.923 1.00 14.23 H new ATOM 0 HD11 LEU A 90 -2.603 3.793 -1.699 1.00 34.32 H new ATOM 0 HD12 LEU A 90 -3.526 3.099 -3.052 1.00 34.32 H new ATOM 0 HD13 LEU A 90 -2.239 2.148 -2.272 1.00 34.32 H new ATOM 0 HD21 LEU A 90 -0.356 4.666 -2.017 1.00 43.35 H new ATOM 0 HD22 LEU A 90 0.281 3.096 -2.561 1.00 43.35 H new ATOM 0 HD23 LEU A 90 0.471 4.538 -3.587 1.00 43.35 H new ATOM 1521 N HIS A 91 0.583 1.334 -6.689 1.00 11.24 N ATOM 1522 CA HIS A 91 1.638 0.378 -6.956 1.00 44.30 C ATOM 1523 C HIS A 91 2.867 1.051 -7.602 1.00 65.40 C ATOM 1524 O HIS A 91 4.002 0.680 -7.287 1.00 62.10 O ATOM 1525 CB HIS A 91 1.038 -0.730 -7.832 1.00 74.21 C ATOM 1526 CG HIS A 91 1.993 -1.841 -8.160 1.00 23.33 C ATOM 1527 ND1 HIS A 91 2.119 -2.464 -9.379 1.00 12.20 N ATOM 1528 CD2 HIS A 91 2.882 -2.415 -7.300 1.00 63.15 C ATOM 1529 CE1 HIS A 91 3.101 -3.374 -9.269 1.00 30.45 C ATOM 1530 NE2 HIS A 91 3.601 -3.376 -8.019 1.00 10.32 N ATOM 0 H HIS A 91 -0.310 1.083 -7.112 1.00 11.24 H new ATOM 0 HA HIS A 91 2.010 -0.054 -6.027 1.00 44.30 H new ATOM 0 HB2 HIS A 91 0.171 -1.150 -7.323 1.00 74.21 H new ATOM 0 HB3 HIS A 91 0.679 -0.288 -8.762 1.00 74.21 H new ATOM 0 HD2 HIS A 91 3.008 -2.172 -6.255 1.00 63.15 H new ATOM 0 HE1 HIS A 91 3.441 -4.014 -10.070 1.00 30.45 H new ATOM 0 HE2 HIS A 91 4.356 -3.963 -7.665 1.00 10.32 H new ATOM 1538 N LYS A 92 2.668 2.031 -8.495 1.00 0.33 N ATOM 1539 CA LYS A 92 3.750 2.794 -9.117 1.00 62.41 C ATOM 1540 C LYS A 92 4.366 3.763 -8.117 1.00 4.02 C ATOM 1541 O LYS A 92 5.595 3.827 -8.058 1.00 61.24 O ATOM 1542 CB LYS A 92 3.266 3.560 -10.360 1.00 22.30 C ATOM 1543 CG LYS A 92 2.882 2.615 -11.502 1.00 2.40 C ATOM 1544 CD LYS A 92 2.375 3.397 -12.722 1.00 24.33 C ATOM 1545 CE LYS A 92 2.230 2.483 -13.945 1.00 65.23 C ATOM 1546 NZ LYS A 92 3.541 2.098 -14.516 1.00 43.32 N1+ ATOM 0 H LYS A 92 1.740 2.316 -8.806 1.00 0.33 H new ATOM 0 HA LYS A 92 4.508 2.079 -9.437 1.00 62.41 H new ATOM 0 HB2 LYS A 92 2.407 4.176 -10.095 1.00 22.30 H new ATOM 0 HB3 LYS A 92 4.051 4.237 -10.698 1.00 22.30 H new ATOM 0 HG2 LYS A 92 3.745 2.013 -11.786 1.00 2.40 H new ATOM 0 HG3 LYS A 92 2.110 1.925 -11.162 1.00 2.40 H new ATOM 0 HD2 LYS A 92 1.413 3.854 -12.490 1.00 24.33 H new ATOM 0 HD3 LYS A 92 3.067 4.208 -12.951 1.00 24.33 H new ATOM 0 HE2 LYS A 92 1.681 1.585 -13.662 1.00 65.23 H new ATOM 0 HE3 LYS A 92 1.639 2.990 -14.707 1.00 65.23 H new ATOM 0 HZ1 LYS A 92 3.396 1.625 -15.431 1.00 43.32 H new ATOM 0 HZ2 LYS A 92 4.123 2.949 -14.654 1.00 43.32 H new ATOM 0 HZ3 LYS A 92 4.026 1.449 -13.864 1.00 43.32 H new ATOM 1560 N LEU A 93 3.545 4.485 -7.341 1.00 63.33 N ATOM 1561 CA LEU A 93 3.995 5.369 -6.258 1.00 20.11 C ATOM 1562 C LEU A 93 4.993 4.618 -5.365 1.00 43.43 C ATOM 1563 O LEU A 93 6.131 5.078 -5.187 1.00 62.13 O ATOM 1564 CB LEU A 93 2.806 5.893 -5.422 1.00 1.11 C ATOM 1565 CG LEU A 93 2.382 7.361 -5.623 1.00 52.21 C ATOM 1566 CD1 LEU A 93 3.412 8.376 -5.123 1.00 23.33 C ATOM 1567 CD2 LEU A 93 1.975 7.671 -7.067 1.00 24.41 C ATOM 0 H LEU A 93 2.531 4.470 -7.451 1.00 63.33 H new ATOM 0 HA LEU A 93 4.486 6.235 -6.702 1.00 20.11 H new ATOM 0 HB2 LEU A 93 1.943 5.262 -5.634 1.00 1.11 H new ATOM 0 HB3 LEU A 93 3.050 5.755 -4.369 1.00 1.11 H new ATOM 0 HG LEU A 93 1.498 7.473 -4.995 1.00 52.21 H new ATOM 0 HD11 LEU A 93 3.042 9.386 -5.299 1.00 23.33 H new ATOM 0 HD12 LEU A 93 3.577 8.231 -4.055 1.00 23.33 H new ATOM 0 HD13 LEU A 93 4.351 8.235 -5.658 1.00 23.33 H new ATOM 0 HD21 LEU A 93 1.687 8.719 -7.147 1.00 24.41 H new ATOM 0 HD22 LEU A 93 2.816 7.474 -7.732 1.00 24.41 H new ATOM 0 HD23 LEU A 93 1.133 7.040 -7.351 1.00 24.41 H new ATOM 1579 N TYR A 94 4.597 3.457 -4.838 1.00 62.42 N ATOM 1580 CA TYR A 94 5.436 2.632 -3.982 1.00 42.52 C ATOM 1581 C TYR A 94 6.687 2.176 -4.719 1.00 73.20 C ATOM 1582 O TYR A 94 7.785 2.376 -4.198 1.00 63.02 O ATOM 1583 CB TYR A 94 4.654 1.434 -3.444 1.00 5.32 C ATOM 1584 CG TYR A 94 5.469 0.561 -2.508 1.00 33.45 C ATOM 1585 CD1 TYR A 94 6.030 1.105 -1.333 1.00 12.54 C ATOM 1586 CD2 TYR A 94 5.678 -0.794 -2.818 1.00 3.30 C ATOM 1587 CE1 TYR A 94 6.805 0.304 -0.472 1.00 73.21 C ATOM 1588 CE2 TYR A 94 6.453 -1.596 -1.967 1.00 21.21 C ATOM 1589 CZ TYR A 94 7.030 -1.058 -0.797 1.00 54.02 C ATOM 1590 OH TYR A 94 7.801 -1.872 -0.026 1.00 52.45 O ATOM 0 H TYR A 94 3.670 3.063 -4.999 1.00 62.42 H new ATOM 0 HA TYR A 94 5.749 3.240 -3.133 1.00 42.52 H new ATOM 0 HB2 TYR A 94 3.769 1.792 -2.918 1.00 5.32 H new ATOM 0 HB3 TYR A 94 4.305 0.830 -4.282 1.00 5.32 H new ATOM 0 HD1 TYR A 94 5.864 2.145 -1.092 1.00 12.54 H new ATOM 0 HD2 TYR A 94 5.242 -1.217 -3.711 1.00 3.30 H new ATOM 0 HE1 TYR A 94 7.225 0.724 0.430 1.00 73.21 H new ATOM 0 HE2 TYR A 94 6.610 -2.637 -2.210 1.00 21.21 H new ATOM 0 HH TYR A 94 7.828 -2.768 -0.422 1.00 52.45 H new ATOM 1600 N LYS A 95 6.551 1.633 -5.944 1.00 41.45 N ATOM 1601 CA LYS A 95 7.726 1.250 -6.732 1.00 54.30 C ATOM 1602 C LYS A 95 8.715 2.410 -6.861 1.00 22.23 C ATOM 1603 O LYS A 95 9.912 2.173 -6.777 1.00 35.23 O ATOM 1604 CB LYS A 95 7.351 0.680 -8.114 1.00 32.21 C ATOM 1605 CG LYS A 95 7.181 -0.850 -8.075 1.00 61.25 C ATOM 1606 CD LYS A 95 6.879 -1.427 -9.469 1.00 54.15 C ATOM 1607 CE LYS A 95 6.911 -2.965 -9.501 1.00 22.41 C ATOM 1608 NZ LYS A 95 8.279 -3.534 -9.481 1.00 12.11 N1+ ATOM 0 H LYS A 95 5.655 1.454 -6.398 1.00 41.45 H new ATOM 0 HA LYS A 95 8.219 0.447 -6.184 1.00 54.30 H new ATOM 0 HB2 LYS A 95 6.424 1.140 -8.458 1.00 32.21 H new ATOM 0 HB3 LYS A 95 8.124 0.941 -8.837 1.00 32.21 H new ATOM 0 HG2 LYS A 95 8.089 -1.307 -7.682 1.00 61.25 H new ATOM 0 HG3 LYS A 95 6.372 -1.109 -7.392 1.00 61.25 H new ATOM 0 HD2 LYS A 95 5.897 -1.082 -9.794 1.00 54.15 H new ATOM 0 HD3 LYS A 95 7.606 -1.039 -10.183 1.00 54.15 H new ATOM 0 HE2 LYS A 95 6.355 -3.349 -8.646 1.00 22.41 H new ATOM 0 HE3 LYS A 95 6.396 -3.312 -10.397 1.00 22.41 H new ATOM 0 HZ1 LYS A 95 8.224 -4.572 -9.504 1.00 12.11 H new ATOM 0 HZ2 LYS A 95 8.807 -3.197 -10.311 1.00 12.11 H new ATOM 0 HZ3 LYS A 95 8.768 -3.233 -8.614 1.00 12.11 H new ATOM 1622 N HIS A 96 8.265 3.654 -7.057 1.00 2.14 N ATOM 1623 CA HIS A 96 9.200 4.756 -7.292 1.00 2.00 C ATOM 1624 C HIS A 96 9.952 5.009 -5.986 1.00 64.43 C ATOM 1625 O HIS A 96 11.170 5.174 -5.970 1.00 42.32 O ATOM 1626 CB HIS A 96 8.483 6.033 -7.769 1.00 24.51 C ATOM 1627 CG HIS A 96 8.152 7.145 -6.797 1.00 14.41 C ATOM 1628 ND1 HIS A 96 9.065 7.908 -6.102 1.00 42.35 N ATOM 1629 CD2 HIS A 96 6.931 7.741 -6.630 1.00 62.44 C ATOM 1630 CE1 HIS A 96 8.401 8.885 -5.471 1.00 43.34 C ATOM 1631 NE2 HIS A 96 7.085 8.808 -5.737 1.00 62.31 N ATOM 0 H HIS A 96 7.280 3.919 -7.058 1.00 2.14 H new ATOM 0 HA HIS A 96 9.891 4.483 -8.089 1.00 2.00 H new ATOM 0 HB2 HIS A 96 9.096 6.469 -8.558 1.00 24.51 H new ATOM 0 HB3 HIS A 96 7.546 5.721 -8.230 1.00 24.51 H new ATOM 0 HD1 HIS A 96 10.073 7.755 -6.073 1.00 42.35 H new ATOM 0 HD2 HIS A 96 6.009 7.440 -7.105 1.00 62.44 H new ATOM 0 HE1 HIS A 96 8.858 9.630 -4.837 1.00 43.34 H new ATOM 1639 N ALA A 97 9.185 5.070 -4.895 1.00 74.32 N ATOM 1640 CA ALA A 97 9.736 5.320 -3.569 1.00 62.11 C ATOM 1641 C ALA A 97 10.811 4.293 -3.208 1.00 21.45 C ATOM 1642 O ALA A 97 11.923 4.690 -2.854 1.00 62.01 O ATOM 1643 CB ALA A 97 8.639 5.354 -2.504 1.00 12.11 C ATOM 0 H ALA A 97 8.172 4.948 -4.909 1.00 74.32 H new ATOM 0 HA ALA A 97 10.206 6.303 -3.596 1.00 62.11 H new ATOM 0 HB1 ALA A 97 9.085 5.542 -1.528 1.00 12.11 H new ATOM 0 HB2 ALA A 97 7.929 6.148 -2.738 1.00 12.11 H new ATOM 0 HB3 ALA A 97 8.119 4.396 -2.486 1.00 12.11 H new ATOM 1649 N ILE A 98 10.483 2.997 -3.296 1.00 4.01 N ATOM 1650 CA ILE A 98 11.435 1.947 -2.918 1.00 65.43 C ATOM 1651 C ILE A 98 12.623 1.935 -3.888 1.00 70.52 C ATOM 1652 O ILE A 98 13.765 1.833 -3.446 1.00 31.14 O ATOM 1653 CB ILE A 98 10.741 0.576 -2.756 1.00 34.23 C ATOM 1654 CG1 ILE A 98 11.682 -0.398 -2.011 1.00 72.03 C ATOM 1655 CG2 ILE A 98 10.257 -0.037 -4.078 1.00 12.03 C ATOM 1656 CD1 ILE A 98 10.956 -1.576 -1.353 1.00 25.45 C ATOM 0 H ILE A 98 9.579 2.655 -3.621 1.00 4.01 H new ATOM 0 HA ILE A 98 11.841 2.172 -1.932 1.00 65.43 H new ATOM 0 HB ILE A 98 9.839 0.749 -2.169 1.00 34.23 H new ATOM 0 HG12 ILE A 98 12.420 -0.785 -2.714 1.00 72.03 H new ATOM 0 HG13 ILE A 98 12.229 0.153 -1.246 1.00 72.03 H new ATOM 0 HG21 ILE A 98 9.781 -0.998 -3.881 1.00 12.03 H new ATOM 0 HG22 ILE A 98 9.539 0.634 -4.549 1.00 12.03 H new ATOM 0 HG23 ILE A 98 11.107 -0.183 -4.744 1.00 12.03 H new ATOM 0 HD11 ILE A 98 11.681 -2.215 -0.850 1.00 25.45 H new ATOM 0 HD12 ILE A 98 10.237 -1.200 -0.625 1.00 25.45 H new ATOM 0 HD13 ILE A 98 10.432 -2.152 -2.116 1.00 25.45 H new ATOM 1668 N LYS A 99 12.396 2.175 -5.184 1.00 65.44 N ATOM 1669 CA LYS A 99 13.472 2.328 -6.161 1.00 2.32 C ATOM 1670 C LYS A 99 14.441 3.426 -5.751 1.00 44.52 C ATOM 1671 O LYS A 99 15.640 3.257 -5.927 1.00 12.43 O ATOM 1672 CB LYS A 99 12.936 2.622 -7.566 1.00 70.12 C ATOM 1673 CG LYS A 99 12.522 1.372 -8.350 1.00 70.31 C ATOM 1674 CD LYS A 99 11.951 1.730 -9.732 1.00 52.12 C ATOM 1675 CE LYS A 99 13.021 1.881 -10.829 1.00 11.33 C ATOM 1676 NZ LYS A 99 13.805 3.136 -10.761 1.00 60.11 N1+ ATOM 0 H LYS A 99 11.461 2.268 -5.582 1.00 65.44 H new ATOM 0 HA LYS A 99 14.001 1.375 -6.186 1.00 2.32 H new ATOM 0 HB2 LYS A 99 12.077 3.288 -7.484 1.00 70.12 H new ATOM 0 HB3 LYS A 99 13.700 3.156 -8.131 1.00 70.12 H new ATOM 0 HG2 LYS A 99 13.384 0.716 -8.471 1.00 70.31 H new ATOM 0 HG3 LYS A 99 11.777 0.816 -7.781 1.00 70.31 H new ATOM 0 HD2 LYS A 99 11.243 0.958 -10.033 1.00 52.12 H new ATOM 0 HD3 LYS A 99 11.392 2.662 -9.653 1.00 52.12 H new ATOM 0 HE2 LYS A 99 13.707 1.036 -10.767 1.00 11.33 H new ATOM 0 HE3 LYS A 99 12.534 1.825 -11.803 1.00 11.33 H new ATOM 0 HZ1 LYS A 99 14.189 3.357 -11.702 1.00 60.11 H new ATOM 0 HZ2 LYS A 99 13.190 3.913 -10.447 1.00 60.11 H new ATOM 0 HZ3 LYS A 99 14.588 3.020 -10.086 1.00 60.11 H new ATOM 1690 N LYS A 100 13.975 4.535 -5.165 1.00 42.13 N ATOM 1691 CA LYS A 100 14.905 5.574 -4.715 1.00 4.50 C ATOM 1692 C LYS A 100 15.924 5.056 -3.693 1.00 64.53 C ATOM 1693 O LYS A 100 16.992 5.645 -3.556 1.00 65.31 O ATOM 1694 CB LYS A 100 14.124 6.777 -4.167 1.00 23.44 C ATOM 1695 CG LYS A 100 14.999 8.042 -4.090 1.00 42.32 C ATOM 1696 CD LYS A 100 15.542 8.368 -2.687 1.00 74.15 C ATOM 1697 CE LYS A 100 16.586 9.479 -2.843 1.00 14.21 C ATOM 1698 NZ LYS A 100 17.093 9.965 -1.547 1.00 55.41 N1+ ATOM 0 H LYS A 100 12.989 4.733 -4.995 1.00 42.13 H new ATOM 0 HA LYS A 100 15.484 5.893 -5.582 1.00 4.50 H new ATOM 0 HB2 LYS A 100 13.261 6.971 -4.804 1.00 23.44 H new ATOM 0 HB3 LYS A 100 13.741 6.540 -3.175 1.00 23.44 H new ATOM 0 HG2 LYS A 100 15.841 7.926 -4.772 1.00 42.32 H new ATOM 0 HG3 LYS A 100 14.416 8.892 -4.445 1.00 42.32 H new ATOM 0 HD2 LYS A 100 14.735 8.690 -2.029 1.00 74.15 H new ATOM 0 HD3 LYS A 100 15.989 7.483 -2.234 1.00 74.15 H new ATOM 0 HE2 LYS A 100 17.420 9.108 -3.439 1.00 14.21 H new ATOM 0 HE3 LYS A 100 16.146 10.311 -3.392 1.00 14.21 H new ATOM 0 HZ1 LYS A 100 17.795 10.715 -1.708 1.00 55.41 H new ATOM 0 HZ2 LYS A 100 16.304 10.345 -0.986 1.00 55.41 H new ATOM 0 HZ3 LYS A 100 17.538 9.179 -1.031 1.00 55.41 H new ATOM 1712 N ARG A 101 15.599 4.006 -2.934 1.00 13.00 N ATOM 1713 CA ARG A 101 16.513 3.401 -1.968 1.00 21.24 C ATOM 1714 C ARG A 101 17.298 2.245 -2.571 1.00 32.44 C ATOM 1715 O ARG A 101 18.485 2.105 -2.270 1.00 41.23 O ATOM 1716 CB ARG A 101 15.746 2.887 -0.743 1.00 43.10 C ATOM 1717 CG ARG A 101 14.835 3.904 -0.051 1.00 13.42 C ATOM 1718 CD ARG A 101 15.545 5.219 0.302 1.00 31.55 C ATOM 1719 NE ARG A 101 14.976 5.771 1.533 1.00 14.22 N ATOM 1720 CZ ARG A 101 15.314 6.883 2.181 1.00 32.10 C ATOM 1721 NH1 ARG A 101 16.294 7.668 1.740 1.00 32.33 N1+ ATOM 1722 NH2 ARG A 101 14.627 7.183 3.272 1.00 74.22 N ATOM 0 H ARG A 101 14.687 3.550 -2.975 1.00 13.00 H new ATOM 0 HA ARG A 101 17.213 4.182 -1.671 1.00 21.24 H new ATOM 0 HB2 ARG A 101 15.140 2.034 -1.049 1.00 43.10 H new ATOM 0 HB3 ARG A 101 16.468 2.520 -0.014 1.00 43.10 H new ATOM 0 HG2 ARG A 101 13.986 4.121 -0.700 1.00 13.42 H new ATOM 0 HG3 ARG A 101 14.434 3.460 0.860 1.00 13.42 H new ATOM 0 HD2 ARG A 101 16.613 5.044 0.430 1.00 31.55 H new ATOM 0 HD3 ARG A 101 15.435 5.934 -0.514 1.00 31.55 H new ATOM 0 HE ARG A 101 14.218 5.230 1.950 1.00 14.22 H new ATOM 0 HH11 ARG A 101 16.802 7.422 0.890 1.00 32.33 H new ATOM 0 HH12 ARG A 101 16.537 8.516 2.252 1.00 32.33 H new ATOM 0 HH21 ARG A 101 13.873 6.571 3.584 1.00 74.22 H new ATOM 0 HH22 ARG A 101 14.852 8.026 3.800 1.00 74.22 H new ATOM 1736 N GLN A 102 16.642 1.371 -3.326 1.00 34.41 N ATOM 1737 CA GLN A 102 17.257 0.175 -3.873 1.00 70.10 C ATOM 1738 C GLN A 102 18.151 0.545 -5.063 1.00 61.44 C ATOM 1739 O GLN A 102 17.843 1.430 -5.854 1.00 72.53 O ATOM 1740 CB GLN A 102 16.167 -0.837 -4.254 1.00 2.55 C ATOM 1741 CG GLN A 102 15.705 -1.703 -3.073 1.00 72.35 C ATOM 1742 CD GLN A 102 14.767 -2.817 -3.542 1.00 41.42 C ATOM 1743 OE1 GLN A 102 13.774 -2.563 -4.227 1.00 50.15 O ATOM 1744 NE2 GLN A 102 15.046 -4.068 -3.216 1.00 20.33 N ATOM 0 H GLN A 102 15.659 1.477 -3.576 1.00 34.41 H new ATOM 0 HA GLN A 102 17.894 -0.295 -3.124 1.00 70.10 H new ATOM 0 HB2 GLN A 102 15.309 -0.301 -4.661 1.00 2.55 H new ATOM 0 HB3 GLN A 102 16.543 -1.485 -5.046 1.00 2.55 H new ATOM 0 HG2 GLN A 102 16.572 -2.138 -2.576 1.00 72.35 H new ATOM 0 HG3 GLN A 102 15.196 -1.080 -2.338 1.00 72.35 H new ATOM 0 HE21 GLN A 102 15.868 -4.276 -2.649 1.00 20.33 H new ATOM 0 HE22 GLN A 102 14.439 -4.825 -3.531 1.00 20.33 H new ATOM 1753 N GLU A 103 19.222 -0.213 -5.235 1.00 12.25 N ATOM 1754 CA GLU A 103 20.383 -0.032 -6.099 1.00 25.11 C ATOM 1755 C GLU A 103 20.091 -0.184 -7.608 1.00 60.21 C ATOM 1756 O GLU A 103 21.024 -0.239 -8.400 1.00 74.11 O ATOM 1757 CB GLU A 103 21.465 -1.044 -5.665 1.00 24.43 C ATOM 1758 CG GLU A 103 21.760 -1.069 -4.146 1.00 2.13 C ATOM 1759 CD GLU A 103 20.941 -2.111 -3.359 1.00 32.20 C ATOM 1760 OE1 GLU A 103 19.823 -2.486 -3.773 1.00 72.01 O ATOM 1761 OE2 GLU A 103 21.423 -2.624 -2.322 1.00 44.44 O1- ATOM 0 H GLU A 103 19.310 -1.080 -4.705 1.00 12.25 H new ATOM 0 HA GLU A 103 20.717 0.999 -5.978 1.00 25.11 H new ATOM 0 HB2 GLU A 103 21.155 -2.041 -5.977 1.00 24.43 H new ATOM 0 HB3 GLU A 103 22.389 -0.816 -6.196 1.00 24.43 H new ATOM 0 HG2 GLU A 103 22.821 -1.270 -3.997 1.00 2.13 H new ATOM 0 HG3 GLU A 103 21.561 -0.080 -3.733 1.00 2.13 H new ATOM 1768 N SER A 104 18.811 -0.226 -8.000 1.00 64.23 N ATOM 1769 CA SER A 104 18.228 -0.769 -9.235 1.00 2.21 C ATOM 1770 C SER A 104 18.164 -2.303 -9.166 1.00 64.02 C ATOM 1771 O SER A 104 19.088 -2.983 -9.619 1.00 13.35 O ATOM 1772 CB SER A 104 18.913 -0.285 -10.516 1.00 15.03 C ATOM 1773 OG SER A 104 18.976 1.136 -10.560 1.00 22.12 O ATOM 0 H SER A 104 18.083 0.159 -7.398 1.00 64.23 H new ATOM 0 HA SER A 104 17.214 -0.374 -9.296 1.00 2.21 H new ATOM 0 HB2 SER A 104 19.920 -0.698 -10.572 1.00 15.03 H new ATOM 0 HB3 SER A 104 18.368 -0.655 -11.385 1.00 15.03 H new ATOM 0 HG SER A 104 19.419 1.418 -11.387 1.00 22.12 H new ATOM 1779 N GLN A 105 17.061 -2.831 -8.623 1.00 14.34 N ATOM 1780 CA GLN A 105 16.809 -4.272 -8.624 1.00 24.32 C ATOM 1781 C GLN A 105 16.700 -4.694 -10.097 1.00 1.12 C ATOM 1782 O GLN A 105 15.909 -4.137 -10.873 1.00 74.43 O ATOM 1783 CB GLN A 105 15.594 -4.679 -7.750 1.00 3.52 C ATOM 1784 CG GLN A 105 14.238 -4.534 -8.461 1.00 44.01 C ATOM 1785 CD GLN A 105 13.012 -4.888 -7.621 1.00 2.34 C ATOM 1786 OE1 GLN A 105 12.601 -6.044 -7.556 1.00 35.04 O ATOM 1787 NE2 GLN A 105 12.299 -3.902 -7.093 1.00 3.01 N ATOM 0 H GLN A 105 16.329 -2.278 -8.177 1.00 14.34 H new ATOM 0 HA GLN A 105 17.629 -4.811 -8.149 1.00 24.32 H new ATOM 0 HB2 GLN A 105 15.718 -5.714 -7.433 1.00 3.52 H new ATOM 0 HB3 GLN A 105 15.587 -4.068 -6.848 1.00 3.52 H new ATOM 0 HG2 GLN A 105 14.136 -3.505 -8.804 1.00 44.01 H new ATOM 0 HG3 GLN A 105 14.244 -5.167 -9.348 1.00 44.01 H new ATOM 0 HE21 GLN A 105 12.639 -2.942 -7.146 1.00 3.01 H new ATOM 0 HE22 GLN A 105 11.411 -4.104 -6.634 1.00 3.01 H new ATOM 1796 N GLN A 106 17.544 -5.632 -10.489 1.00 52.33 N ATOM 1797 CA GLN A 106 17.669 -6.109 -11.857 1.00 11.21 C ATOM 1798 C GLN A 106 16.588 -7.169 -12.128 1.00 2.01 C ATOM 1799 O GLN A 106 15.717 -7.431 -11.289 1.00 54.13 O ATOM 1800 CB GLN A 106 19.114 -6.605 -12.063 1.00 23.02 C ATOM 1801 CG GLN A 106 19.680 -6.296 -13.462 1.00 32.41 C ATOM 1802 CD GLN A 106 21.211 -6.343 -13.493 1.00 50.04 C ATOM 1803 OE1 GLN A 106 21.815 -7.194 -14.142 1.00 40.21 O ATOM 1804 NE2 GLN A 106 21.877 -5.413 -12.824 1.00 32.23 N ATOM 0 H GLN A 106 18.182 -6.098 -9.844 1.00 52.33 H new ATOM 0 HA GLN A 106 17.497 -5.318 -12.587 1.00 11.21 H new ATOM 0 HB2 GLN A 106 19.757 -6.147 -11.311 1.00 23.02 H new ATOM 0 HB3 GLN A 106 19.147 -7.682 -11.897 1.00 23.02 H new ATOM 0 HG2 GLN A 106 19.282 -7.014 -14.179 1.00 32.41 H new ATOM 0 HG3 GLN A 106 19.342 -5.309 -13.778 1.00 32.41 H new ATOM 0 HE21 GLN A 106 21.370 -4.709 -12.287 1.00 32.23 H new ATOM 0 HE22 GLN A 106 22.897 -5.401 -12.846 1.00 32.23 H new ATOM 1813 N ASN A 107 16.608 -7.772 -13.317 1.00 32.25 N ATOM 1814 CA ASN A 107 15.640 -8.790 -13.725 1.00 60.35 C ATOM 1815 C ASN A 107 16.356 -10.122 -13.893 1.00 23.12 C ATOM 1816 O ASN A 107 17.571 -10.149 -14.067 1.00 75.20 O ATOM 1817 CB ASN A 107 14.957 -8.375 -15.037 1.00 44.30 C ATOM 1818 CG ASN A 107 14.109 -7.126 -14.854 1.00 2.23 C ATOM 1819 OD1 ASN A 107 13.330 -7.029 -13.907 1.00 42.51 O ATOM 1820 ND2 ASN A 107 14.221 -6.164 -15.738 1.00 50.11 N ATOM 0 H ASN A 107 17.305 -7.565 -14.032 1.00 32.25 H new ATOM 0 HA ASN A 107 14.871 -8.891 -12.959 1.00 60.35 H new ATOM 0 HB2 ASN A 107 15.713 -8.194 -15.800 1.00 44.30 H new ATOM 0 HB3 ASN A 107 14.331 -9.192 -15.396 1.00 44.30 H new ATOM 0 HD21 ASN A 107 13.657 -5.319 -15.646 1.00 50.11 H new ATOM 0 HD22 ASN A 107 14.872 -6.261 -16.517 1.00 50.11 H new ATOM 1827 N SER A 108 15.592 -11.215 -13.877 1.00 10.55 N ATOM 1828 CA SER A 108 15.988 -12.454 -14.522 1.00 41.44 C ATOM 1829 C SER A 108 15.427 -12.352 -15.932 1.00 63.20 C ATOM 1830 O SER A 108 16.146 -11.901 -16.836 1.00 75.32 O ATOM 1831 CB SER A 108 15.449 -13.667 -13.754 1.00 45.42 C ATOM 1832 OG SER A 108 15.867 -13.646 -12.397 1.00 34.25 O ATOM 0 H SER A 108 14.684 -11.260 -13.415 1.00 10.55 H new ATOM 0 HA SER A 108 17.069 -12.595 -14.542 1.00 41.44 H new ATOM 0 HB2 SER A 108 14.360 -13.675 -13.801 1.00 45.42 H new ATOM 0 HB3 SER A 108 15.796 -14.585 -14.229 1.00 45.42 H new ATOM 0 HG SER A 108 15.507 -14.430 -11.932 1.00 34.25 H new TER 1838 SER A 108