USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 561 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 Single : A 1 MET CE :methyl -133:sc= -0.119 (180deg=-2.2!) USER MOD Single : A 1 MET N :NH3+ 131:sc= 0.0687 (180deg=-0.00248) USER MOD Single : A 3 HIS : no HD1:sc= -0.464 X(o=-0.46,f=-0.03) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-2e-05) USER MOD Single : A 5 HIS : no HD1:sc= -0.0173 X(o=-0.017,f=-0.0069) USER MOD Single : A 6 HIS :FLIP no HE2:sc= 0.445 F(o=-1.5!,f=0.45) USER MOD Single : A 7 HIS : no HD1:sc= -0.0449 X(o=-0.045,f=-0.0098) USER MOD Single : A 8 HIS : no HD1:sc= -0.372 X(o=-0.37,f=-0.38) USER MOD Single : A 9 MET CE :methyl -172:sc= -1.92! (180deg=-2.28!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00609 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 23:sc= 0.849 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -165:sc= 1.21 (180deg=1.05) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.248 F(o=-1.7!,f=-0.25) USER MOD Single : A 37 TYR OH : rot -152:sc= 0.122 USER MOD Single : A 52 THR OG1 : rot 102:sc= 1.22 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0232 USER MOD Single : A 70 LYS NZ :NH3+ -153:sc= 1.38 (180deg=1.23) USER MOD Single : A 71 SER OG : rot -35:sc= 0.028 USER MOD Single : A 75 MET CE :methyl -137:sc= -0.259 (180deg=-0.523) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.249 -4.570 -38.632 1.00 31.30 N ATOM 2 CA MET A 1 17.782 -3.348 -37.935 1.00 72.52 C ATOM 3 C MET A 1 18.921 -2.349 -37.795 1.00 2.31 C ATOM 4 O MET A 1 20.094 -2.724 -37.809 1.00 21.11 O ATOM 5 CB MET A 1 17.227 -3.688 -36.546 1.00 15.01 C ATOM 6 CG MET A 1 18.243 -4.344 -35.624 1.00 41.33 C ATOM 7 SD MET A 1 17.675 -4.452 -33.916 1.00 13.42 S ATOM 8 CE MET A 1 17.657 -2.720 -33.455 1.00 42.20 C ATOM 0 H1 MET A 1 17.953 -5.410 -38.095 1.00 31.30 H new ATOM 0 H2 MET A 1 17.836 -4.605 -39.586 1.00 31.30 H new ATOM 0 H3 MET A 1 19.286 -4.553 -38.705 1.00 31.30 H new ATOM 0 HA MET A 1 16.985 -2.906 -38.533 1.00 72.52 H new ATOM 0 HB2 MET A 1 16.861 -2.774 -36.077 1.00 15.01 H new ATOM 0 HB3 MET A 1 16.371 -4.353 -36.660 1.00 15.01 H new ATOM 0 HG2 MET A 1 18.466 -5.346 -35.991 1.00 41.33 H new ATOM 0 HG3 MET A 1 19.174 -3.778 -35.657 1.00 41.33 H new ATOM 0 HE1 MET A 1 18.142 -2.596 -32.487 1.00 42.20 H new ATOM 0 HE2 MET A 1 18.191 -2.138 -34.206 1.00 42.20 H new ATOM 0 HE3 MET A 1 16.626 -2.371 -33.392 1.00 42.20 H new ATOM 20 N ALA A 2 18.570 -1.080 -37.658 1.00 10.32 N ATOM 21 CA ALA A 2 19.558 -0.026 -37.492 1.00 3.40 C ATOM 22 C ALA A 2 20.069 0.023 -36.057 1.00 70.52 C ATOM 23 O ALA A 2 19.366 0.463 -35.146 1.00 10.15 O ATOM 24 CB ALA A 2 18.972 1.320 -37.895 1.00 22.50 C ATOM 0 H ALA A 2 17.603 -0.754 -37.659 1.00 10.32 H new ATOM 0 HA ALA A 2 20.403 -0.248 -38.144 1.00 3.40 H new ATOM 0 HB1 ALA A 2 19.724 2.098 -37.765 1.00 22.50 H new ATOM 0 HB2 ALA A 2 18.664 1.284 -38.940 1.00 22.50 H new ATOM 0 HB3 ALA A 2 18.108 1.543 -37.269 1.00 22.50 H new ATOM 30 N HIS A 3 21.288 -0.461 -35.862 1.00 53.21 N ATOM 31 CA HIS A 3 21.952 -0.410 -34.565 1.00 4.03 C ATOM 32 C HIS A 3 23.445 -0.613 -34.766 1.00 34.44 C ATOM 33 O HIS A 3 23.862 -1.112 -35.811 1.00 33.52 O ATOM 34 CB HIS A 3 21.382 -1.467 -33.595 1.00 44.24 C ATOM 35 CG HIS A 3 21.707 -2.901 -33.931 1.00 2.52 C ATOM 36 ND1 HIS A 3 21.975 -3.848 -32.968 1.00 60.13 N ATOM 37 CD2 HIS A 3 21.775 -3.552 -35.119 1.00 22.45 C ATOM 38 CE1 HIS A 3 22.197 -5.014 -33.545 1.00 13.11 C ATOM 39 NE2 HIS A 3 22.081 -4.863 -34.849 1.00 63.14 N ATOM 0 H HIS A 3 21.844 -0.899 -36.596 1.00 53.21 H new ATOM 0 HA HIS A 3 21.772 0.566 -34.115 1.00 4.03 H new ATOM 0 HB2 HIS A 3 21.755 -1.254 -32.593 1.00 44.24 H new ATOM 0 HB3 HIS A 3 20.298 -1.357 -33.562 1.00 44.24 H new ATOM 0 HD2 HIS A 3 21.618 -3.119 -36.096 1.00 22.45 H new ATOM 0 HE1 HIS A 3 22.434 -5.936 -33.035 1.00 13.11 H new ATOM 0 HE2 HIS A 3 22.199 -5.600 -35.544 1.00 63.14 H new ATOM 48 N HIS A 4 24.247 -0.219 -33.791 1.00 3.12 N ATOM 49 CA HIS A 4 25.691 -0.354 -33.912 1.00 2.34 C ATOM 50 C HIS A 4 26.260 -1.157 -32.758 1.00 22.31 C ATOM 51 O HIS A 4 26.246 -0.706 -31.613 1.00 14.33 O ATOM 52 CB HIS A 4 26.367 1.019 -33.968 1.00 24.23 C ATOM 53 CG HIS A 4 25.987 1.831 -35.169 1.00 13.20 C ATOM 54 ND1 HIS A 4 25.289 3.015 -35.086 1.00 50.01 N ATOM 55 CD2 HIS A 4 26.216 1.625 -36.487 1.00 64.52 C ATOM 56 CE1 HIS A 4 25.104 3.502 -36.300 1.00 62.12 C ATOM 57 NE2 HIS A 4 25.656 2.677 -37.169 1.00 64.34 N ATOM 0 H HIS A 4 23.928 0.193 -32.914 1.00 3.12 H new ATOM 0 HA HIS A 4 25.893 -0.884 -34.843 1.00 2.34 H new ATOM 0 HB2 HIS A 4 26.110 1.577 -33.068 1.00 24.23 H new ATOM 0 HB3 HIS A 4 27.448 0.882 -33.961 1.00 24.23 H new ATOM 0 HD2 HIS A 4 26.742 0.788 -36.922 1.00 64.52 H new ATOM 0 HE1 HIS A 4 24.588 4.420 -36.540 1.00 62.12 H new ATOM 0 HE2 HIS A 4 25.665 2.800 -38.181 1.00 64.34 H new ATOM 66 N HIS A 5 26.743 -2.351 -33.057 1.00 11.22 N ATOM 67 CA HIS A 5 27.400 -3.168 -32.050 1.00 51.02 C ATOM 68 C HIS A 5 28.764 -2.573 -31.717 1.00 15.22 C ATOM 69 O HIS A 5 29.662 -2.542 -32.558 1.00 31.41 O ATOM 70 CB HIS A 5 27.560 -4.610 -32.541 1.00 14.33 C ATOM 71 CG HIS A 5 27.825 -5.599 -31.439 1.00 25.22 C ATOM 72 ND1 HIS A 5 26.943 -6.606 -31.115 1.00 62.55 N ATOM 73 CD2 HIS A 5 28.873 -5.735 -30.591 1.00 13.52 C ATOM 74 CE1 HIS A 5 27.432 -7.315 -30.117 1.00 1.11 C ATOM 75 NE2 HIS A 5 28.600 -6.808 -29.781 1.00 70.04 N ATOM 0 H HIS A 5 26.693 -2.775 -33.983 1.00 11.22 H new ATOM 0 HA HIS A 5 26.782 -3.180 -31.152 1.00 51.02 H new ATOM 0 HB2 HIS A 5 26.656 -4.906 -33.073 1.00 14.33 H new ATOM 0 HB3 HIS A 5 28.379 -4.651 -33.259 1.00 14.33 H new ATOM 0 HD2 HIS A 5 29.757 -5.115 -30.559 1.00 13.52 H new ATOM 0 HE1 HIS A 5 26.956 -8.167 -29.654 1.00 1.11 H new ATOM 0 HE2 HIS A 5 29.205 -7.157 -29.038 1.00 70.04 H new ATOM 84 N HIS A 6 28.901 -2.079 -30.500 1.00 73.23 N ATOM 85 CA HIS A 6 30.163 -1.518 -30.039 1.00 30.02 C ATOM 86 C HIS A 6 30.467 -2.026 -28.639 1.00 42.35 C ATOM 87 O HIS A 6 29.556 -2.221 -27.836 1.00 41.24 O ATOM 88 CB HIS A 6 30.134 0.019 -30.072 1.00 52.32 C ATOM 89 CG HIS A 6 29.078 0.653 -29.214 1.00 62.40 C ATOM 90 ND1 HIS A 6 27.729 0.672 -29.334 1.00 74.32 N flip ATOM 91 CD2 HIS A 6 29.368 1.395 -28.094 1.00 25.11 C flip ATOM 92 CE1 HIS A 6 27.235 1.416 -28.294 1.00 72.21 C flip ATOM 93 NE2 HIS A 6 28.247 1.838 -27.558 1.00 42.30 N flip ATOM 0 H HIS A 6 28.152 -2.054 -29.808 1.00 73.23 H new ATOM 0 HA HIS A 6 30.956 -1.842 -30.713 1.00 30.02 H new ATOM 0 HB2 HIS A 6 31.109 0.392 -29.758 1.00 52.32 H new ATOM 0 HB3 HIS A 6 29.986 0.342 -31.102 1.00 52.32 H new ATOM 0 HD1 HIS A 6 27.181 0.216 -30.064 1.00 74.32 H new ATOM 0 HD2 HIS A 6 30.360 1.586 -27.712 1.00 25.11 H new ATOM 0 HE1 HIS A 6 26.191 1.623 -28.108 1.00 72.21 H new ATOM 102 N HIS A 7 31.738 -2.258 -28.362 1.00 22.21 N ATOM 103 CA HIS A 7 32.143 -2.854 -27.097 1.00 3.01 C ATOM 104 C HIS A 7 32.136 -1.837 -25.964 1.00 11.01 C ATOM 105 O HIS A 7 31.362 -1.972 -25.017 1.00 50.15 O ATOM 106 CB HIS A 7 33.526 -3.496 -27.221 1.00 43.11 C ATOM 107 CG HIS A 7 33.518 -4.799 -27.956 1.00 3.12 C ATOM 108 ND1 HIS A 7 34.415 -5.110 -28.953 1.00 22.13 N ATOM 109 CD2 HIS A 7 32.730 -5.888 -27.809 1.00 55.14 C ATOM 110 CE1 HIS A 7 34.176 -6.333 -29.388 1.00 52.14 C ATOM 111 NE2 HIS A 7 33.159 -6.829 -28.710 1.00 13.41 N ATOM 0 H HIS A 7 32.509 -2.043 -28.995 1.00 22.21 H new ATOM 0 HA HIS A 7 31.413 -3.627 -26.855 1.00 3.01 H new ATOM 0 HB2 HIS A 7 34.194 -2.804 -27.733 1.00 43.11 H new ATOM 0 HB3 HIS A 7 33.935 -3.654 -26.223 1.00 43.11 H new ATOM 0 HD2 HIS A 7 31.913 -5.997 -27.111 1.00 55.14 H new ATOM 0 HE1 HIS A 7 34.722 -6.842 -30.168 1.00 52.14 H new ATOM 0 HE2 HIS A 7 32.758 -7.758 -28.835 1.00 13.41 H new ATOM 120 N HIS A 8 32.998 -0.826 -26.066 1.00 3.44 N ATOM 121 CA HIS A 8 33.177 0.152 -24.993 1.00 33.42 C ATOM 122 C HIS A 8 33.581 -0.578 -23.711 1.00 54.50 C ATOM 123 O HIS A 8 33.209 -0.199 -22.600 1.00 3.14 O ATOM 124 CB HIS A 8 31.892 0.976 -24.790 1.00 20.13 C ATOM 125 CG HIS A 8 32.031 2.101 -23.806 1.00 3.21 C ATOM 126 ND1 HIS A 8 31.208 2.245 -22.710 1.00 41.13 N ATOM 127 CD2 HIS A 8 32.903 3.137 -23.755 1.00 21.14 C ATOM 128 CE1 HIS A 8 31.566 3.314 -22.029 1.00 24.41 C ATOM 129 NE2 HIS A 8 32.592 3.874 -22.640 1.00 30.32 N ATOM 0 H HIS A 8 33.585 -0.662 -26.884 1.00 3.44 H new ATOM 0 HA HIS A 8 33.969 0.850 -25.263 1.00 33.42 H new ATOM 0 HB2 HIS A 8 31.581 1.385 -25.751 1.00 20.13 H new ATOM 0 HB3 HIS A 8 31.097 0.311 -24.454 1.00 20.13 H new ATOM 0 HD2 HIS A 8 33.695 3.344 -24.460 1.00 21.14 H new ATOM 0 HE1 HIS A 8 31.099 3.672 -21.123 1.00 24.41 H new ATOM 0 HE2 HIS A 8 33.076 4.718 -22.333 1.00 30.32 H new ATOM 138 N MET A 9 34.380 -1.621 -23.881 1.00 71.00 N ATOM 139 CA MET A 9 34.761 -2.487 -22.774 1.00 3.32 C ATOM 140 C MET A 9 36.121 -2.077 -22.224 1.00 71.25 C ATOM 141 O MET A 9 36.853 -2.894 -21.659 1.00 3.00 O ATOM 142 CB MET A 9 34.789 -3.946 -23.237 1.00 33.25 C ATOM 143 CG MET A 9 34.533 -4.948 -22.119 1.00 73.22 C ATOM 144 SD MET A 9 32.782 -5.370 -21.921 1.00 11.15 S ATOM 145 CE MET A 9 32.040 -3.764 -21.627 1.00 20.10 C ATOM 0 H MET A 9 34.779 -1.890 -24.780 1.00 71.00 H new ATOM 0 HA MET A 9 34.024 -2.386 -21.978 1.00 3.32 H new ATOM 0 HB2 MET A 9 34.040 -4.085 -24.016 1.00 33.25 H new ATOM 0 HB3 MET A 9 35.759 -4.157 -23.687 1.00 33.25 H new ATOM 0 HG2 MET A 9 35.098 -5.858 -22.320 1.00 73.22 H new ATOM 0 HG3 MET A 9 34.909 -4.539 -21.181 1.00 73.22 H new ATOM 0 HE1 MET A 9 30.994 -3.892 -21.349 1.00 20.10 H new ATOM 0 HE2 MET A 9 32.571 -3.260 -20.820 1.00 20.10 H new ATOM 0 HE3 MET A 9 32.103 -3.163 -22.534 1.00 20.10 H new ATOM 155 N GLY A 10 36.446 -0.803 -22.386 1.00 22.52 N ATOM 156 CA GLY A 10 37.722 -0.292 -21.940 1.00 14.40 C ATOM 157 C GLY A 10 37.795 -0.116 -20.437 1.00 40.33 C ATOM 158 O GLY A 10 37.625 0.990 -19.923 1.00 35.12 O ATOM 0 H GLY A 10 35.840 -0.109 -22.823 1.00 22.52 H new ATOM 0 HA2 GLY A 10 38.512 -0.972 -22.260 1.00 14.40 H new ATOM 0 HA3 GLY A 10 37.912 0.667 -22.422 1.00 14.40 H new ATOM 162 N THR A 11 38.024 -1.208 -19.730 1.00 52.10 N ATOM 163 CA THR A 11 38.266 -1.151 -18.302 1.00 35.34 C ATOM 164 C THR A 11 39.775 -1.192 -18.059 1.00 51.44 C ATOM 165 O THR A 11 40.546 -1.371 -19.004 1.00 73.30 O ATOM 166 CB THR A 11 37.557 -2.312 -17.562 1.00 31.41 C ATOM 167 OG1 THR A 11 37.564 -2.080 -16.145 1.00 20.30 O ATOM 168 CG2 THR A 11 38.217 -3.651 -17.863 1.00 11.31 C ATOM 0 H THR A 11 38.047 -2.148 -20.125 1.00 52.10 H new ATOM 0 HA THR A 11 37.854 -0.223 -17.906 1.00 35.34 H new ATOM 0 HB THR A 11 36.528 -2.349 -17.920 1.00 31.41 H new ATOM 0 HG1 THR A 11 37.111 -2.821 -15.690 1.00 20.30 H new ATOM 0 HG21 THR A 11 37.694 -4.443 -17.327 1.00 11.31 H new ATOM 0 HG22 THR A 11 38.172 -3.846 -18.934 1.00 11.31 H new ATOM 0 HG23 THR A 11 39.259 -3.623 -17.543 1.00 11.31 H new ATOM 176 N LEU A 12 40.204 -1.027 -16.820 1.00 52.30 N ATOM 177 CA LEU A 12 41.627 -0.963 -16.526 1.00 23.41 C ATOM 178 C LEU A 12 42.017 -2.004 -15.484 1.00 40.33 C ATOM 179 O LEU A 12 41.279 -2.252 -14.526 1.00 4.22 O ATOM 180 CB LEU A 12 42.040 0.445 -16.056 1.00 5.45 C ATOM 181 CG LEU A 12 41.596 0.851 -14.641 1.00 25.55 C ATOM 182 CD1 LEU A 12 42.274 2.147 -14.229 1.00 14.02 C ATOM 183 CD2 LEU A 12 40.084 1.008 -14.560 1.00 1.13 C ATOM 0 H LEU A 12 39.595 -0.935 -16.007 1.00 52.30 H new ATOM 0 HA LEU A 12 42.161 -1.182 -17.451 1.00 23.41 H new ATOM 0 HB2 LEU A 12 43.126 0.517 -16.107 1.00 5.45 H new ATOM 0 HB3 LEU A 12 41.639 1.172 -16.762 1.00 5.45 H new ATOM 0 HG LEU A 12 41.893 0.056 -13.957 1.00 25.55 H new ATOM 0 HD11 LEU A 12 41.951 2.423 -13.225 1.00 14.02 H new ATOM 0 HD12 LEU A 12 43.355 2.011 -14.238 1.00 14.02 H new ATOM 0 HD13 LEU A 12 42.002 2.938 -14.928 1.00 14.02 H new ATOM 0 HD21 LEU A 12 39.802 1.295 -13.547 1.00 1.13 H new ATOM 0 HD22 LEU A 12 39.760 1.779 -15.259 1.00 1.13 H new ATOM 0 HD23 LEU A 12 39.606 0.062 -14.815 1.00 1.13 H new ATOM 195 N GLU A 13 43.167 -2.626 -15.695 1.00 74.14 N ATOM 196 CA GLU A 13 43.720 -3.580 -14.754 1.00 34.10 C ATOM 197 C GLU A 13 44.323 -2.827 -13.569 1.00 14.22 C ATOM 198 O GLU A 13 45.543 -2.700 -13.442 1.00 21.12 O ATOM 199 CB GLU A 13 44.779 -4.453 -15.437 1.00 11.23 C ATOM 200 CG GLU A 13 44.298 -5.122 -16.722 1.00 71.31 C ATOM 201 CD GLU A 13 44.571 -4.300 -17.976 1.00 62.32 C ATOM 202 OE1 GLU A 13 44.218 -3.103 -18.011 1.00 45.51 O ATOM 203 OE2 GLU A 13 45.126 -4.860 -18.943 1.00 5.31 O ATOM 0 H GLU A 13 43.741 -2.481 -16.525 1.00 74.14 H new ATOM 0 HA GLU A 13 42.927 -4.235 -14.394 1.00 34.10 H new ATOM 0 HB2 GLU A 13 45.650 -3.839 -15.664 1.00 11.23 H new ATOM 0 HB3 GLU A 13 45.105 -5.224 -14.739 1.00 11.23 H new ATOM 0 HG2 GLU A 13 44.784 -6.092 -16.821 1.00 71.31 H new ATOM 0 HG3 GLU A 13 43.227 -5.309 -16.646 1.00 71.31 H new ATOM 210 N ALA A 14 43.443 -2.320 -12.722 1.00 24.43 N ATOM 211 CA ALA A 14 43.808 -1.417 -11.635 1.00 51.55 C ATOM 212 C ALA A 14 44.436 -2.141 -10.448 1.00 31.55 C ATOM 213 O ALA A 14 44.878 -1.493 -9.500 1.00 43.41 O ATOM 214 CB ALA A 14 42.587 -0.634 -11.183 1.00 50.05 C ATOM 0 H ALA A 14 42.445 -2.524 -12.767 1.00 24.43 H new ATOM 0 HA ALA A 14 44.565 -0.736 -12.025 1.00 51.55 H new ATOM 0 HB1 ALA A 14 42.866 0.038 -10.372 1.00 50.05 H new ATOM 0 HB2 ALA A 14 42.198 -0.052 -12.019 1.00 50.05 H new ATOM 0 HB3 ALA A 14 41.820 -1.325 -10.834 1.00 50.05 H new ATOM 220 N GLN A 15 44.440 -3.475 -10.501 1.00 33.24 N ATOM 221 CA GLN A 15 44.915 -4.318 -9.395 1.00 64.21 C ATOM 222 C GLN A 15 46.171 -3.757 -8.735 1.00 43.12 C ATOM 223 O GLN A 15 46.167 -3.444 -7.543 1.00 24.22 O ATOM 224 CB GLN A 15 45.224 -5.734 -9.886 1.00 51.11 C ATOM 225 CG GLN A 15 44.090 -6.399 -10.648 1.00 1.33 C ATOM 226 CD GLN A 15 44.411 -7.834 -11.012 1.00 51.10 C ATOM 227 OE1 GLN A 15 45.003 -8.105 -12.057 1.00 41.24 O ATOM 228 NE2 GLN A 15 44.008 -8.763 -10.165 1.00 50.14 N ATOM 0 H GLN A 15 44.115 -4.004 -11.310 1.00 33.24 H new ATOM 0 HA GLN A 15 44.110 -4.336 -8.660 1.00 64.21 H new ATOM 0 HB2 GLN A 15 46.104 -5.698 -10.528 1.00 51.11 H new ATOM 0 HB3 GLN A 15 45.481 -6.355 -9.027 1.00 51.11 H new ATOM 0 HG2 GLN A 15 43.184 -6.373 -10.043 1.00 1.33 H new ATOM 0 HG3 GLN A 15 43.883 -5.833 -11.556 1.00 1.33 H new ATOM 0 HE21 GLN A 15 43.520 -8.496 -9.310 1.00 50.14 H new ATOM 0 HE22 GLN A 15 44.184 -9.747 -10.366 1.00 50.14 H new ATOM 237 N THR A 16 47.237 -3.620 -9.529 1.00 41.03 N ATOM 238 CA THR A 16 48.551 -3.201 -9.033 1.00 65.25 C ATOM 239 C THR A 16 48.953 -4.008 -7.796 1.00 71.02 C ATOM 240 O THR A 16 49.573 -3.494 -6.868 1.00 60.01 O ATOM 241 CB THR A 16 48.617 -1.677 -8.736 1.00 60.03 C ATOM 242 OG1 THR A 16 47.511 -1.252 -7.925 1.00 34.23 O ATOM 243 CG2 THR A 16 48.630 -0.874 -10.030 1.00 13.02 C ATOM 0 H THR A 16 47.213 -3.796 -10.533 1.00 41.03 H new ATOM 0 HA THR A 16 49.265 -3.403 -9.831 1.00 65.25 H new ATOM 0 HB THR A 16 49.542 -1.496 -8.189 1.00 60.03 H new ATOM 0 HG1 THR A 16 47.155 -2.019 -7.429 1.00 34.23 H new ATOM 0 HG21 THR A 16 48.676 0.190 -9.798 1.00 13.02 H new ATOM 0 HG22 THR A 16 49.500 -1.154 -10.623 1.00 13.02 H new ATOM 0 HG23 THR A 16 47.722 -1.082 -10.597 1.00 13.02 H new ATOM 251 N GLN A 17 48.628 -5.296 -7.822 1.00 22.33 N ATOM 252 CA GLN A 17 48.862 -6.175 -6.684 1.00 61.30 C ATOM 253 C GLN A 17 50.295 -6.709 -6.715 1.00 25.31 C ATOM 254 O GLN A 17 50.717 -7.471 -5.843 1.00 50.42 O ATOM 255 CB GLN A 17 47.853 -7.329 -6.717 1.00 15.34 C ATOM 256 CG GLN A 17 47.855 -8.205 -5.474 1.00 22.51 C ATOM 257 CD GLN A 17 46.862 -9.347 -5.567 1.00 60.11 C ATOM 258 OE1 GLN A 17 47.191 -10.438 -6.035 1.00 34.14 O ATOM 259 NE2 GLN A 17 45.643 -9.104 -5.121 1.00 40.42 N ATOM 0 H GLN A 17 48.199 -5.756 -8.625 1.00 22.33 H new ATOM 0 HA GLN A 17 48.729 -5.615 -5.759 1.00 61.30 H new ATOM 0 HB2 GLN A 17 46.853 -6.917 -6.854 1.00 15.34 H new ATOM 0 HB3 GLN A 17 48.062 -7.953 -7.586 1.00 15.34 H new ATOM 0 HG2 GLN A 17 48.855 -8.609 -5.320 1.00 22.51 H new ATOM 0 HG3 GLN A 17 47.621 -7.594 -4.602 1.00 22.51 H new ATOM 0 HE21 GLN A 17 45.413 -8.186 -4.741 1.00 40.42 H new ATOM 0 HE22 GLN A 17 44.932 -9.834 -5.156 1.00 40.42 H new ATOM 268 N GLY A 18 51.043 -6.282 -7.723 1.00 54.52 N ATOM 269 CA GLY A 18 52.392 -6.771 -7.918 1.00 41.03 C ATOM 270 C GLY A 18 53.416 -6.068 -7.045 1.00 22.24 C ATOM 271 O GLY A 18 53.088 -5.575 -5.965 1.00 20.24 O ATOM 0 H GLY A 18 50.735 -5.599 -8.415 1.00 54.52 H new ATOM 0 HA2 GLY A 18 52.418 -7.840 -7.708 1.00 41.03 H new ATOM 0 HA3 GLY A 18 52.669 -6.645 -8.965 1.00 41.03 H new ATOM 275 N PRO A 19 54.672 -6.006 -7.505 1.00 33.34 N ATOM 276 CA PRO A 19 55.783 -5.447 -6.727 1.00 31.13 C ATOM 277 C PRO A 19 55.703 -3.933 -6.546 1.00 41.42 C ATOM 278 O PRO A 19 55.254 -3.201 -7.434 1.00 3.40 O ATOM 279 CB PRO A 19 57.013 -5.808 -7.561 1.00 70.14 C ATOM 280 CG PRO A 19 56.505 -5.935 -8.952 1.00 72.05 C ATOM 281 CD PRO A 19 55.111 -6.480 -8.830 1.00 70.34 C ATOM 0 HA PRO A 19 55.789 -5.844 -5.712 1.00 31.13 H new ATOM 0 HB2 PRO A 19 57.780 -5.037 -7.489 1.00 70.14 H new ATOM 0 HB3 PRO A 19 57.464 -6.739 -7.218 1.00 70.14 H new ATOM 0 HG2 PRO A 19 56.505 -4.969 -9.458 1.00 72.05 H new ATOM 0 HG3 PRO A 19 57.136 -6.602 -9.539 1.00 72.05 H new ATOM 0 HD2 PRO A 19 54.464 -6.108 -9.624 1.00 70.34 H new ATOM 0 HD3 PRO A 19 55.098 -7.568 -8.892 1.00 70.34 H new ATOM 289 N GLY A 20 56.136 -3.476 -5.382 1.00 42.43 N ATOM 290 CA GLY A 20 56.258 -2.059 -5.129 1.00 42.52 C ATOM 291 C GLY A 20 57.710 -1.659 -4.997 1.00 34.14 C ATOM 292 O GLY A 20 58.165 -0.700 -5.622 1.00 3.12 O ATOM 0 H GLY A 20 56.408 -4.071 -4.600 1.00 42.43 H new ATOM 0 HA2 GLY A 20 55.795 -1.499 -5.941 1.00 42.52 H new ATOM 0 HA3 GLY A 20 55.721 -1.801 -4.216 1.00 42.52 H new ATOM 296 N SER A 21 58.443 -2.413 -4.190 1.00 51.21 N ATOM 297 CA SER A 21 59.869 -2.199 -4.032 1.00 11.04 C ATOM 298 C SER A 21 60.644 -3.156 -4.929 1.00 35.04 C ATOM 299 O SER A 21 60.655 -4.367 -4.702 1.00 4.22 O ATOM 300 CB SER A 21 60.273 -2.389 -2.571 1.00 32.11 C ATOM 301 OG SER A 21 59.582 -1.475 -1.734 1.00 22.41 O ATOM 0 H SER A 21 58.069 -3.181 -3.633 1.00 51.21 H new ATOM 0 HA SER A 21 60.107 -1.177 -4.326 1.00 11.04 H new ATOM 0 HB2 SER A 21 60.056 -3.411 -2.259 1.00 32.11 H new ATOM 0 HB3 SER A 21 61.348 -2.245 -2.465 1.00 32.11 H new ATOM 0 HG SER A 21 59.854 -1.614 -0.803 1.00 22.41 H new ATOM 307 N MET A 22 61.269 -2.601 -5.960 1.00 30.13 N ATOM 308 CA MET A 22 62.017 -3.393 -6.929 1.00 60.01 C ATOM 309 C MET A 22 63.192 -4.116 -6.267 1.00 54.52 C ATOM 310 O MET A 22 63.464 -5.273 -6.580 1.00 74.13 O ATOM 311 CB MET A 22 62.487 -2.501 -8.088 1.00 14.21 C ATOM 312 CG MET A 22 63.182 -1.222 -7.642 1.00 23.45 C ATOM 313 SD MET A 22 63.368 -0.017 -8.972 1.00 44.33 S ATOM 314 CE MET A 22 64.126 1.348 -8.090 1.00 14.41 C ATOM 0 H MET A 22 61.272 -1.598 -6.147 1.00 30.13 H new ATOM 0 HA MET A 22 61.356 -4.160 -7.333 1.00 60.01 H new ATOM 0 HB2 MET A 22 63.168 -3.072 -8.719 1.00 14.21 H new ATOM 0 HB3 MET A 22 61.626 -2.239 -8.704 1.00 14.21 H new ATOM 0 HG2 MET A 22 62.614 -0.771 -6.828 1.00 23.45 H new ATOM 0 HG3 MET A 22 64.166 -1.470 -7.244 1.00 23.45 H new ATOM 0 HE1 MET A 22 64.304 2.173 -8.780 1.00 14.41 H new ATOM 0 HE2 MET A 22 63.462 1.679 -7.292 1.00 14.41 H new ATOM 0 HE3 MET A 22 65.074 1.023 -7.661 1.00 14.41 H new ATOM 324 N ASN A 23 63.884 -3.428 -5.355 1.00 63.33 N ATOM 325 CA ASN A 23 64.959 -4.035 -4.554 1.00 1.44 C ATOM 326 C ASN A 23 66.074 -4.624 -5.427 1.00 61.42 C ATOM 327 O ASN A 23 66.861 -5.450 -4.960 1.00 22.33 O ATOM 328 CB ASN A 23 64.391 -5.124 -3.635 1.00 31.12 C ATOM 329 CG ASN A 23 63.482 -4.568 -2.556 1.00 65.24 C ATOM 330 OD1 ASN A 23 63.681 -3.455 -2.068 1.00 53.02 O ATOM 331 ND2 ASN A 23 62.481 -5.340 -2.169 1.00 62.12 N ATOM 0 H ASN A 23 63.720 -2.443 -5.149 1.00 63.33 H new ATOM 0 HA ASN A 23 65.396 -3.238 -3.952 1.00 1.44 H new ATOM 0 HB2 ASN A 23 63.836 -5.846 -4.235 1.00 31.12 H new ATOM 0 HB3 ASN A 23 65.214 -5.664 -3.167 1.00 31.12 H new ATOM 0 HD21 ASN A 23 61.841 -5.019 -1.442 1.00 62.12 H new ATOM 0 HD22 ASN A 23 62.349 -6.256 -2.597 1.00 62.12 H new ATOM 338 N ASP A 24 66.131 -4.188 -6.684 1.00 62.13 N ATOM 339 CA ASP A 24 67.144 -4.644 -7.645 1.00 23.32 C ATOM 340 C ASP A 24 66.955 -6.123 -8.012 1.00 42.10 C ATOM 341 O ASP A 24 67.812 -6.739 -8.651 1.00 73.01 O ATOM 342 CB ASP A 24 68.563 -4.384 -7.110 1.00 15.43 C ATOM 343 CG ASP A 24 69.644 -4.665 -8.137 1.00 21.21 C ATOM 344 OD1 ASP A 24 69.601 -4.073 -9.231 1.00 44.21 O ATOM 345 OD2 ASP A 24 70.551 -5.474 -7.845 1.00 24.33 O ATOM 0 H ASP A 24 65.477 -3.507 -7.069 1.00 62.13 H new ATOM 0 HA ASP A 24 67.013 -4.065 -8.559 1.00 23.32 H new ATOM 0 HB2 ASP A 24 68.639 -3.346 -6.786 1.00 15.43 H new ATOM 0 HB3 ASP A 24 68.734 -5.006 -6.231 1.00 15.43 H new ATOM 350 N TYR A 25 65.815 -6.684 -7.627 1.00 42.41 N ATOM 351 CA TYR A 25 65.461 -8.039 -8.032 1.00 12.14 C ATOM 352 C TYR A 25 64.918 -8.011 -9.452 1.00 32.30 C ATOM 353 O TYR A 25 64.328 -7.017 -9.869 1.00 32.03 O ATOM 354 CB TYR A 25 64.432 -8.647 -7.081 1.00 42.40 C ATOM 355 CG TYR A 25 65.007 -9.146 -5.773 1.00 42.33 C ATOM 356 CD1 TYR A 25 65.132 -8.301 -4.680 1.00 5.11 C ATOM 357 CD2 TYR A 25 65.404 -10.470 -5.627 1.00 12.22 C ATOM 358 CE1 TYR A 25 65.641 -8.755 -3.480 1.00 35.34 C ATOM 359 CE2 TYR A 25 65.911 -10.935 -4.426 1.00 74.12 C ATOM 360 CZ TYR A 25 66.026 -10.073 -3.356 1.00 72.10 C ATOM 361 OH TYR A 25 66.522 -10.531 -2.154 1.00 54.31 O ATOM 0 H TYR A 25 65.122 -6.224 -7.037 1.00 42.41 H new ATOM 0 HA TYR A 25 66.354 -8.662 -7.994 1.00 12.14 H new ATOM 0 HB2 TYR A 25 63.668 -7.900 -6.866 1.00 42.40 H new ATOM 0 HB3 TYR A 25 63.935 -9.476 -7.585 1.00 42.40 H new ATOM 0 HD1 TYR A 25 64.826 -7.269 -4.770 1.00 5.11 H new ATOM 0 HD2 TYR A 25 65.315 -11.147 -6.464 1.00 12.22 H new ATOM 0 HE1 TYR A 25 65.737 -8.081 -2.642 1.00 35.34 H new ATOM 0 HE2 TYR A 25 66.215 -11.967 -4.328 1.00 74.12 H new ATOM 0 HH TYR A 25 66.746 -11.482 -2.233 1.00 54.31 H new ATOM 371 N LYS A 26 65.116 -9.086 -10.195 1.00 31.42 N ATOM 372 CA LYS A 26 64.794 -9.074 -11.609 1.00 10.43 C ATOM 373 C LYS A 26 63.380 -9.567 -11.885 1.00 64.22 C ATOM 374 O LYS A 26 62.765 -10.278 -11.070 1.00 33.23 O ATOM 375 CB LYS A 26 65.817 -9.887 -12.409 1.00 44.31 C ATOM 376 CG LYS A 26 67.098 -9.120 -12.729 1.00 40.14 C ATOM 377 CD LYS A 26 67.868 -8.740 -11.472 1.00 14.02 C ATOM 378 CE LYS A 26 69.024 -7.806 -11.788 1.00 14.41 C ATOM 379 NZ LYS A 26 69.773 -7.414 -10.565 1.00 2.34 N ATOM 0 H LYS A 26 65.494 -9.967 -9.847 1.00 31.42 H new ATOM 0 HA LYS A 26 64.841 -8.035 -11.936 1.00 10.43 H new ATOM 0 HB2 LYS A 26 66.073 -10.785 -11.847 1.00 44.31 H new ATOM 0 HB3 LYS A 26 65.358 -10.214 -13.342 1.00 44.31 H new ATOM 0 HG2 LYS A 26 67.733 -9.729 -13.372 1.00 40.14 H new ATOM 0 HG3 LYS A 26 66.850 -8.218 -13.288 1.00 40.14 H new ATOM 0 HD2 LYS A 26 67.194 -8.260 -10.763 1.00 14.02 H new ATOM 0 HD3 LYS A 26 68.248 -9.641 -10.991 1.00 14.02 H new ATOM 0 HE2 LYS A 26 69.703 -8.293 -12.488 1.00 14.41 H new ATOM 0 HE3 LYS A 26 68.643 -6.912 -12.282 1.00 14.41 H new ATOM 0 HZ1 LYS A 26 70.379 -6.596 -10.776 1.00 2.34 H new ATOM 0 HZ2 LYS A 26 69.101 -7.162 -9.812 1.00 2.34 H new ATOM 0 HZ3 LYS A 26 70.364 -8.210 -10.250 1.00 2.34 H new ATOM 393 N LEU A 27 62.877 -9.148 -13.039 1.00 10.35 N ATOM 394 CA LEU A 27 61.561 -9.534 -13.508 1.00 63.42 C ATOM 395 C LEU A 27 61.694 -10.520 -14.661 1.00 12.52 C ATOM 396 O LEU A 27 62.245 -10.191 -15.708 1.00 23.11 O ATOM 397 CB LEU A 27 60.789 -8.302 -13.988 1.00 14.35 C ATOM 398 CG LEU A 27 60.710 -7.143 -12.992 1.00 74.43 C ATOM 399 CD1 LEU A 27 60.060 -5.933 -13.639 1.00 23.04 C ATOM 400 CD2 LEU A 27 59.940 -7.553 -11.751 1.00 64.32 C ATOM 0 H LEU A 27 63.377 -8.528 -13.676 1.00 10.35 H new ATOM 0 HA LEU A 27 61.020 -10.001 -12.685 1.00 63.42 H new ATOM 0 HB2 LEU A 27 61.253 -7.939 -14.905 1.00 14.35 H new ATOM 0 HB3 LEU A 27 59.775 -8.608 -14.244 1.00 14.35 H new ATOM 0 HG LEU A 27 61.725 -6.878 -12.695 1.00 74.43 H new ATOM 0 HD11 LEU A 27 60.011 -5.117 -12.918 1.00 23.04 H new ATOM 0 HD12 LEU A 27 60.650 -5.621 -14.501 1.00 23.04 H new ATOM 0 HD13 LEU A 27 59.052 -6.191 -13.963 1.00 23.04 H new ATOM 0 HD21 LEU A 27 59.896 -6.714 -11.056 1.00 64.32 H new ATOM 0 HD22 LEU A 27 58.928 -7.846 -12.031 1.00 64.32 H new ATOM 0 HD23 LEU A 27 60.442 -8.394 -11.273 1.00 64.32 H new ATOM 412 N PHE A 28 61.211 -11.729 -14.468 1.00 1.00 N ATOM 413 CA PHE A 28 61.236 -12.721 -15.526 1.00 50.25 C ATOM 414 C PHE A 28 59.864 -12.839 -16.159 1.00 32.34 C ATOM 415 O PHE A 28 58.906 -13.281 -15.526 1.00 14.13 O ATOM 416 CB PHE A 28 61.722 -14.071 -15.005 1.00 13.43 C ATOM 417 CG PHE A 28 63.199 -14.086 -14.748 1.00 40.13 C ATOM 418 CD1 PHE A 28 63.708 -13.675 -13.529 1.00 13.32 C ATOM 419 CD2 PHE A 28 64.079 -14.500 -15.737 1.00 54.21 C ATOM 420 CE1 PHE A 28 65.068 -13.677 -13.297 1.00 53.31 C ATOM 421 CE2 PHE A 28 65.439 -14.501 -15.513 1.00 45.12 C ATOM 422 CZ PHE A 28 65.935 -14.090 -14.291 1.00 30.44 C ATOM 0 H PHE A 28 60.797 -12.049 -13.592 1.00 1.00 H new ATOM 0 HA PHE A 28 61.942 -12.395 -16.290 1.00 50.25 H new ATOM 0 HB2 PHE A 28 61.193 -14.314 -14.083 1.00 13.43 H new ATOM 0 HB3 PHE A 28 61.474 -14.847 -15.729 1.00 13.43 H new ATOM 0 HD1 PHE A 28 63.034 -13.349 -12.751 1.00 13.32 H new ATOM 0 HD2 PHE A 28 63.695 -14.825 -16.693 1.00 54.21 H new ATOM 0 HE1 PHE A 28 65.454 -13.357 -12.341 1.00 53.31 H new ATOM 0 HE2 PHE A 28 66.115 -14.822 -16.291 1.00 45.12 H new ATOM 0 HZ PHE A 28 67.000 -14.091 -14.112 1.00 30.44 H new ATOM 432 N ARG A 29 59.776 -12.428 -17.409 1.00 72.21 N ATOM 433 CA ARG A 29 58.500 -12.370 -18.098 1.00 15.21 C ATOM 434 C ARG A 29 58.377 -13.488 -19.120 1.00 74.30 C ATOM 435 O ARG A 29 59.265 -13.692 -19.944 1.00 12.12 O ATOM 436 CB ARG A 29 58.328 -11.006 -18.770 1.00 53.45 C ATOM 437 CG ARG A 29 57.042 -10.868 -19.568 1.00 41.44 C ATOM 438 CD ARG A 29 56.820 -9.432 -20.019 1.00 1.41 C ATOM 439 NE ARG A 29 57.973 -8.888 -20.728 1.00 42.11 N ATOM 440 CZ ARG A 29 58.438 -7.651 -20.554 1.00 34.34 C ATOM 441 NH1 ARG A 29 57.893 -6.839 -19.654 1.00 14.43 N ATOM 442 NH2 ARG A 29 59.466 -7.233 -21.275 1.00 21.35 N ATOM 0 H ARG A 29 60.574 -12.129 -17.970 1.00 72.21 H new ATOM 0 HA ARG A 29 57.707 -12.504 -17.362 1.00 15.21 H new ATOM 0 HB2 ARG A 29 58.354 -10.230 -18.005 1.00 53.45 H new ATOM 0 HB3 ARG A 29 59.175 -10.829 -19.432 1.00 53.45 H new ATOM 0 HG2 ARG A 29 57.080 -11.523 -20.439 1.00 41.44 H new ATOM 0 HG3 ARG A 29 56.198 -11.195 -18.960 1.00 41.44 H new ATOM 0 HD2 ARG A 29 55.945 -9.389 -20.667 1.00 1.41 H new ATOM 0 HD3 ARG A 29 56.604 -8.810 -19.150 1.00 1.41 H new ATOM 0 HE ARG A 29 58.452 -9.490 -21.397 1.00 42.11 H new ATOM 0 HH11 ARG A 29 57.109 -7.160 -19.086 1.00 14.43 H new ATOM 0 HH12 ARG A 29 58.259 -5.895 -19.531 1.00 14.43 H new ATOM 0 HH21 ARG A 29 59.897 -7.856 -21.958 1.00 21.35 H new ATOM 0 HH22 ARG A 29 59.828 -6.288 -21.148 1.00 21.35 H new ATOM 456 N CYS A 30 57.277 -14.217 -19.046 1.00 53.14 N ATOM 457 CA CYS A 30 57.011 -15.296 -19.976 1.00 13.35 C ATOM 458 C CYS A 30 56.636 -14.729 -21.335 1.00 23.11 C ATOM 459 O CYS A 30 55.640 -14.023 -21.464 1.00 13.32 O ATOM 460 CB CYS A 30 55.878 -16.177 -19.450 1.00 24.13 C ATOM 461 SG CYS A 30 55.663 -17.726 -20.355 1.00 1.33 S ATOM 0 H CYS A 30 56.549 -14.078 -18.345 1.00 53.14 H new ATOM 0 HA CYS A 30 57.911 -15.902 -20.078 1.00 13.35 H new ATOM 0 HB2 CYS A 30 56.067 -16.405 -18.401 1.00 24.13 H new ATOM 0 HB3 CYS A 30 54.946 -15.613 -19.490 1.00 24.13 H new ATOM 466 N ILE A 31 57.419 -15.057 -22.350 1.00 13.20 N ATOM 467 CA ILE A 31 57.212 -14.513 -23.686 1.00 62.43 C ATOM 468 C ILE A 31 56.115 -15.279 -24.414 1.00 64.12 C ATOM 469 O ILE A 31 55.757 -14.952 -25.544 1.00 21.10 O ATOM 470 CB ILE A 31 58.509 -14.536 -24.528 1.00 61.10 C ATOM 471 CG1 ILE A 31 59.019 -15.975 -24.698 1.00 2.21 C ATOM 472 CG2 ILE A 31 59.573 -13.659 -23.880 1.00 12.21 C ATOM 473 CD1 ILE A 31 60.290 -16.083 -25.513 1.00 74.30 C ATOM 0 H ILE A 31 58.207 -15.700 -22.275 1.00 13.20 H new ATOM 0 HA ILE A 31 56.908 -13.474 -23.563 1.00 62.43 H new ATOM 0 HB ILE A 31 58.288 -14.137 -25.518 1.00 61.10 H new ATOM 0 HG12 ILE A 31 59.193 -16.407 -23.713 1.00 2.21 H new ATOM 0 HG13 ILE A 31 58.241 -16.572 -25.175 1.00 2.21 H new ATOM 0 HG21 ILE A 31 60.481 -13.684 -24.482 1.00 12.21 H new ATOM 0 HG22 ILE A 31 59.209 -12.634 -23.814 1.00 12.21 H new ATOM 0 HG23 ILE A 31 59.791 -14.031 -22.879 1.00 12.21 H new ATOM 0 HD11 ILE A 31 60.586 -17.129 -25.588 1.00 74.30 H new ATOM 0 HD12 ILE A 31 60.117 -15.682 -26.512 1.00 74.30 H new ATOM 0 HD13 ILE A 31 61.083 -15.515 -25.027 1.00 74.30 H new ATOM 485 N GLN A 32 55.581 -16.302 -23.757 1.00 51.33 N ATOM 486 CA GLN A 32 54.486 -17.078 -24.319 1.00 23.44 C ATOM 487 C GLN A 32 53.150 -16.407 -24.040 1.00 13.04 C ATOM 488 O GLN A 32 52.137 -16.746 -24.652 1.00 35.13 O ATOM 489 CB GLN A 32 54.471 -18.499 -23.747 1.00 55.24 C ATOM 490 CG GLN A 32 55.676 -19.338 -24.137 1.00 33.15 C ATOM 491 CD GLN A 32 55.866 -19.424 -25.636 1.00 11.55 C ATOM 492 OE1 GLN A 32 56.685 -18.537 -26.165 1.00 42.33 O flip ATOM 493 NE2 GLN A 32 55.307 -20.296 -26.302 1.00 22.30 N flip ATOM 0 H GLN A 32 55.889 -16.612 -22.835 1.00 51.33 H new ATOM 0 HA GLN A 32 54.641 -17.132 -25.397 1.00 23.44 H new ATOM 0 HB2 GLN A 32 54.419 -18.441 -22.660 1.00 55.24 H new ATOM 0 HB3 GLN A 32 53.566 -19.005 -24.083 1.00 55.24 H new ATOM 0 HG2 GLN A 32 56.572 -18.912 -23.685 1.00 33.15 H new ATOM 0 HG3 GLN A 32 55.561 -20.343 -23.731 1.00 33.15 H new ATOM 0 HE21 GLN A 32 54.681 -20.961 -25.848 1.00 22.30 H new ATOM 0 HE22 GLN A 32 55.470 -20.353 -27.307 1.00 22.30 H new ATOM 502 N CYS A 33 53.147 -15.457 -23.113 1.00 2.20 N ATOM 503 CA CYS A 33 51.908 -14.790 -22.729 1.00 22.24 C ATOM 504 C CYS A 33 52.159 -13.375 -22.223 1.00 72.42 C ATOM 505 O CYS A 33 51.617 -12.410 -22.760 1.00 22.31 O ATOM 506 CB CYS A 33 51.173 -15.616 -21.668 1.00 41.11 C ATOM 507 SG CYS A 33 52.206 -16.137 -20.273 1.00 25.30 S ATOM 0 H CYS A 33 53.978 -15.133 -22.618 1.00 2.20 H new ATOM 0 HA CYS A 33 51.283 -14.711 -23.619 1.00 22.24 H new ATOM 0 HB2 CYS A 33 50.336 -15.031 -21.286 1.00 41.11 H new ATOM 0 HB3 CYS A 33 50.752 -16.502 -22.143 1.00 41.11 H new ATOM 512 N GLY A 34 52.998 -13.251 -21.205 1.00 75.22 N ATOM 513 CA GLY A 34 53.248 -11.952 -20.613 1.00 61.15 C ATOM 514 C GLY A 34 53.292 -11.998 -19.098 1.00 41.20 C ATOM 515 O GLY A 34 53.349 -10.956 -18.448 1.00 65.41 O ATOM 0 H GLY A 34 53.509 -14.024 -20.779 1.00 75.22 H new ATOM 0 HA2 GLY A 34 54.194 -11.562 -20.988 1.00 61.15 H new ATOM 0 HA3 GLY A 34 52.470 -11.257 -20.929 1.00 61.15 H new ATOM 519 N PHE A 35 53.254 -13.204 -18.534 1.00 44.34 N ATOM 520 CA PHE A 35 53.359 -13.385 -17.090 1.00 63.14 C ATOM 521 C PHE A 35 54.706 -12.877 -16.586 1.00 62.11 C ATOM 522 O PHE A 35 55.752 -13.419 -16.945 1.00 22.11 O ATOM 523 CB PHE A 35 53.189 -14.865 -16.732 1.00 51.10 C ATOM 524 CG PHE A 35 53.415 -15.174 -15.276 1.00 71.33 C ATOM 525 CD1 PHE A 35 52.442 -14.892 -14.332 1.00 34.34 C ATOM 526 CD2 PHE A 35 54.605 -15.751 -14.854 1.00 75.13 C ATOM 527 CE1 PHE A 35 52.649 -15.176 -12.997 1.00 61.43 C ATOM 528 CE2 PHE A 35 54.817 -16.035 -13.520 1.00 63.43 C ATOM 529 CZ PHE A 35 53.838 -15.747 -12.590 1.00 22.21 C ATOM 0 H PHE A 35 53.151 -14.073 -19.059 1.00 44.34 H new ATOM 0 HA PHE A 35 52.568 -12.810 -16.609 1.00 63.14 H new ATOM 0 HB2 PHE A 35 52.183 -15.181 -17.008 1.00 51.10 H new ATOM 0 HB3 PHE A 35 53.884 -15.455 -17.330 1.00 51.10 H new ATOM 0 HD1 PHE A 35 51.510 -14.444 -14.644 1.00 34.34 H new ATOM 0 HD2 PHE A 35 55.373 -15.980 -15.577 1.00 75.13 H new ATOM 0 HE1 PHE A 35 51.881 -14.952 -12.271 1.00 61.43 H new ATOM 0 HE2 PHE A 35 55.748 -16.482 -13.204 1.00 63.43 H new ATOM 0 HZ PHE A 35 54.002 -15.968 -11.546 1.00 22.21 H new ATOM 539 N GLU A 36 54.675 -11.835 -15.771 1.00 21.30 N ATOM 540 CA GLU A 36 55.886 -11.248 -15.234 1.00 35.33 C ATOM 541 C GLU A 36 56.113 -11.679 -13.793 1.00 44.03 C ATOM 542 O GLU A 36 55.312 -11.386 -12.905 1.00 52.25 O ATOM 543 CB GLU A 36 55.805 -9.730 -15.339 1.00 30.54 C ATOM 544 CG GLU A 36 55.889 -9.243 -16.772 1.00 13.22 C ATOM 545 CD GLU A 36 55.653 -7.755 -16.923 1.00 51.45 C ATOM 546 OE1 GLU A 36 54.484 -7.325 -16.882 1.00 35.32 O ATOM 547 OE2 GLU A 36 56.638 -7.015 -17.120 1.00 54.43 O ATOM 0 H GLU A 36 53.816 -11.377 -15.467 1.00 21.30 H new ATOM 0 HA GLU A 36 56.736 -11.602 -15.818 1.00 35.33 H new ATOM 0 HB2 GLU A 36 54.870 -9.388 -14.896 1.00 30.54 H new ATOM 0 HB3 GLU A 36 56.614 -9.285 -14.759 1.00 30.54 H new ATOM 0 HG2 GLU A 36 56.872 -9.489 -17.173 1.00 13.22 H new ATOM 0 HG3 GLU A 36 55.156 -9.781 -17.373 1.00 13.22 H new ATOM 554 N TYR A 37 57.202 -12.397 -13.582 1.00 71.04 N ATOM 555 CA TYR A 37 57.585 -12.862 -12.255 1.00 2.31 C ATOM 556 C TYR A 37 58.656 -11.960 -11.652 1.00 2.10 C ATOM 557 O TYR A 37 59.716 -11.767 -12.241 1.00 33.24 O ATOM 558 CB TYR A 37 58.095 -14.308 -12.327 1.00 64.22 C ATOM 559 CG TYR A 37 58.830 -14.767 -11.079 1.00 22.51 C ATOM 560 CD1 TYR A 37 58.139 -15.125 -9.927 1.00 13.05 C ATOM 561 CD2 TYR A 37 60.219 -14.835 -11.056 1.00 34.02 C ATOM 562 CE1 TYR A 37 58.813 -15.534 -8.789 1.00 32.50 C ATOM 563 CE2 TYR A 37 60.898 -15.242 -9.924 1.00 42.11 C ATOM 564 CZ TYR A 37 60.193 -15.592 -8.794 1.00 3.33 C ATOM 565 OH TYR A 37 60.871 -15.999 -7.665 1.00 35.44 O ATOM 0 H TYR A 37 57.846 -12.675 -14.322 1.00 71.04 H new ATOM 0 HA TYR A 37 56.704 -12.826 -11.614 1.00 2.31 H new ATOM 0 HB2 TYR A 37 57.249 -14.972 -12.503 1.00 64.22 H new ATOM 0 HB3 TYR A 37 58.761 -14.405 -13.185 1.00 64.22 H new ATOM 0 HD1 TYR A 37 57.060 -15.083 -9.920 1.00 13.05 H new ATOM 0 HD2 TYR A 37 60.777 -14.564 -11.940 1.00 34.02 H new ATOM 0 HE1 TYR A 37 58.262 -15.807 -7.901 1.00 32.50 H new ATOM 0 HE2 TYR A 37 61.977 -15.286 -9.925 1.00 42.11 H new ATOM 0 HH TYR A 37 61.759 -15.584 -7.649 1.00 35.44 H new ATOM 575 N ASP A 38 58.369 -11.410 -10.484 1.00 70.50 N ATOM 576 CA ASP A 38 59.340 -10.602 -9.754 1.00 10.30 C ATOM 577 C ASP A 38 60.026 -11.450 -8.691 1.00 4.53 C ATOM 578 O ASP A 38 59.352 -12.094 -7.881 1.00 73.13 O ATOM 579 CB ASP A 38 58.651 -9.398 -9.101 1.00 64.12 C ATOM 580 CG ASP A 38 59.538 -8.684 -8.095 1.00 45.13 C ATOM 581 OD1 ASP A 38 60.758 -8.591 -8.325 1.00 30.54 O ATOM 582 OD2 ASP A 38 59.013 -8.242 -7.053 1.00 51.42 O ATOM 0 H ASP A 38 57.468 -11.507 -10.017 1.00 70.50 H new ATOM 0 HA ASP A 38 60.089 -10.236 -10.456 1.00 10.30 H new ATOM 0 HB2 ASP A 38 58.349 -8.694 -9.876 1.00 64.12 H new ATOM 0 HB3 ASP A 38 57.741 -9.732 -8.603 1.00 64.12 H new ATOM 587 N GLU A 39 61.357 -11.462 -8.700 1.00 21.24 N ATOM 588 CA GLU A 39 62.113 -12.235 -7.714 1.00 73.35 C ATOM 589 C GLU A 39 61.886 -11.702 -6.295 1.00 61.05 C ATOM 590 O GLU A 39 61.973 -12.454 -5.317 1.00 14.23 O ATOM 591 CB GLU A 39 63.608 -12.219 -8.039 1.00 3.15 C ATOM 592 CG GLU A 39 63.973 -12.923 -9.332 1.00 2.32 C ATOM 593 CD GLU A 39 65.471 -12.994 -9.547 1.00 31.30 C ATOM 594 OE1 GLU A 39 66.102 -11.929 -9.756 1.00 42.02 O ATOM 595 OE2 GLU A 39 66.024 -14.113 -9.513 1.00 61.24 O ATOM 0 H GLU A 39 61.931 -10.951 -9.371 1.00 21.24 H new ATOM 0 HA GLU A 39 61.751 -13.262 -7.760 1.00 73.35 H new ATOM 0 HB2 GLU A 39 63.945 -11.184 -8.095 1.00 3.15 H new ATOM 0 HB3 GLU A 39 64.151 -12.687 -7.218 1.00 3.15 H new ATOM 0 HG2 GLU A 39 63.562 -13.932 -9.322 1.00 2.32 H new ATOM 0 HG3 GLU A 39 63.513 -12.400 -10.170 1.00 2.32 H new ATOM 602 N ALA A 40 61.584 -10.413 -6.184 1.00 41.21 N ATOM 603 CA ALA A 40 61.398 -9.789 -4.880 1.00 41.44 C ATOM 604 C ALA A 40 60.035 -10.127 -4.286 1.00 73.14 C ATOM 605 O ALA A 40 59.908 -10.295 -3.076 1.00 63.31 O ATOM 606 CB ALA A 40 61.570 -8.281 -4.981 1.00 64.54 C ATOM 0 H ALA A 40 61.463 -9.783 -6.977 1.00 41.21 H new ATOM 0 HA ALA A 40 62.161 -10.188 -4.212 1.00 41.44 H new ATOM 0 HB1 ALA A 40 61.428 -7.832 -3.998 1.00 64.54 H new ATOM 0 HB2 ALA A 40 62.573 -8.053 -5.343 1.00 64.54 H new ATOM 0 HB3 ALA A 40 60.833 -7.876 -5.675 1.00 64.54 H new ATOM 612 N LEU A 41 59.024 -10.212 -5.140 1.00 35.01 N ATOM 613 CA LEU A 41 57.668 -10.524 -4.706 1.00 43.03 C ATOM 614 C LEU A 41 57.478 -12.030 -4.539 1.00 41.24 C ATOM 615 O LEU A 41 56.866 -12.489 -3.568 1.00 5.12 O ATOM 616 CB LEU A 41 56.655 -9.985 -5.722 1.00 54.42 C ATOM 617 CG LEU A 41 55.182 -10.186 -5.354 1.00 52.33 C ATOM 618 CD1 LEU A 41 54.820 -9.368 -4.128 1.00 54.05 C ATOM 619 CD2 LEU A 41 54.286 -9.812 -6.521 1.00 50.10 C ATOM 0 H LEU A 41 59.118 -10.068 -6.145 1.00 35.01 H new ATOM 0 HA LEU A 41 57.503 -10.047 -3.740 1.00 43.03 H new ATOM 0 HB2 LEU A 41 56.835 -8.919 -5.858 1.00 54.42 H new ATOM 0 HB3 LEU A 41 56.840 -10.465 -6.683 1.00 54.42 H new ATOM 0 HG LEU A 41 55.029 -11.240 -5.123 1.00 52.33 H new ATOM 0 HD11 LEU A 41 53.769 -9.525 -3.883 1.00 54.05 H new ATOM 0 HD12 LEU A 41 55.439 -9.680 -3.287 1.00 54.05 H new ATOM 0 HD13 LEU A 41 54.991 -8.311 -4.332 1.00 54.05 H new ATOM 0 HD21 LEU A 41 53.243 -9.961 -6.241 1.00 50.10 H new ATOM 0 HD22 LEU A 41 54.446 -8.766 -6.782 1.00 50.10 H new ATOM 0 HD23 LEU A 41 54.525 -10.440 -7.379 1.00 50.10 H new ATOM 631 N GLY A 42 58.008 -12.790 -5.488 1.00 60.35 N ATOM 632 CA GLY A 42 57.861 -14.229 -5.455 1.00 65.42 C ATOM 633 C GLY A 42 56.539 -14.678 -6.049 1.00 1.31 C ATOM 634 O GLY A 42 55.902 -13.936 -6.798 1.00 22.32 O ATOM 0 H GLY A 42 58.539 -12.433 -6.282 1.00 60.35 H new ATOM 0 HA2 GLY A 42 58.681 -14.690 -6.005 1.00 65.42 H new ATOM 0 HA3 GLY A 42 57.933 -14.577 -4.425 1.00 65.42 H new ATOM 638 N TRP A 43 56.120 -15.885 -5.712 1.00 34.01 N ATOM 639 CA TRP A 43 54.848 -16.417 -6.175 1.00 72.13 C ATOM 640 C TRP A 43 54.316 -17.405 -5.142 1.00 1.53 C ATOM 641 O TRP A 43 54.542 -18.614 -5.240 1.00 0.54 O ATOM 642 CB TRP A 43 55.000 -17.087 -7.547 1.00 22.21 C ATOM 643 CG TRP A 43 53.694 -17.467 -8.180 1.00 61.44 C ATOM 644 CD1 TRP A 43 53.193 -18.726 -8.331 1.00 62.34 C ATOM 645 CD2 TRP A 43 52.724 -16.583 -8.748 1.00 75.12 C ATOM 646 NE1 TRP A 43 51.973 -18.681 -8.952 1.00 5.33 N ATOM 647 CE2 TRP A 43 51.660 -17.375 -9.221 1.00 2.33 C ATOM 648 CE3 TRP A 43 52.649 -15.195 -8.904 1.00 21.30 C ATOM 649 CZ2 TRP A 43 50.537 -16.825 -9.838 1.00 1.21 C ATOM 650 CZ3 TRP A 43 51.534 -14.651 -9.515 1.00 45.00 C ATOM 651 CH2 TRP A 43 50.491 -15.465 -9.976 1.00 72.01 C ATOM 0 H TRP A 43 56.647 -16.521 -5.114 1.00 34.01 H new ATOM 0 HA TRP A 43 54.137 -15.599 -6.290 1.00 72.13 H new ATOM 0 HB2 TRP A 43 55.534 -16.411 -8.215 1.00 22.21 H new ATOM 0 HB3 TRP A 43 55.615 -17.980 -7.439 1.00 22.21 H new ATOM 0 HD1 TRP A 43 53.688 -19.630 -8.007 1.00 62.34 H new ATOM 0 HE1 TRP A 43 51.392 -19.489 -9.177 1.00 5.33 H new ATOM 0 HE3 TRP A 43 53.448 -14.559 -8.553 1.00 21.30 H new ATOM 0 HZ2 TRP A 43 49.732 -17.451 -10.194 1.00 1.21 H new ATOM 0 HZ3 TRP A 43 51.466 -13.580 -9.639 1.00 45.00 H new ATOM 0 HH2 TRP A 43 49.634 -15.010 -10.450 1.00 72.01 H new ATOM 662 N PRO A 44 53.610 -16.888 -4.124 1.00 45.41 N ATOM 663 CA PRO A 44 53.156 -17.682 -2.975 1.00 41.22 C ATOM 664 C PRO A 44 52.099 -18.701 -3.362 1.00 43.31 C ATOM 665 O PRO A 44 51.864 -19.673 -2.646 1.00 52.04 O ATOM 666 CB PRO A 44 52.558 -16.648 -2.009 1.00 1.41 C ATOM 667 CG PRO A 44 52.931 -15.308 -2.551 1.00 43.31 C ATOM 668 CD PRO A 44 53.185 -15.486 -4.019 1.00 12.02 C ATOM 0 HA PRO A 44 53.976 -18.255 -2.543 1.00 41.22 H new ATOM 0 HB2 PRO A 44 51.475 -16.755 -1.946 1.00 1.41 H new ATOM 0 HB3 PRO A 44 52.951 -16.784 -1.001 1.00 1.41 H new ATOM 0 HG2 PRO A 44 52.131 -14.587 -2.382 1.00 43.31 H new ATOM 0 HG3 PRO A 44 53.819 -14.922 -2.050 1.00 43.31 H new ATOM 0 HD2 PRO A 44 52.288 -15.293 -4.608 1.00 12.02 H new ATOM 0 HD3 PRO A 44 53.956 -14.805 -4.379 1.00 12.02 H new ATOM 676 N GLU A 45 51.464 -18.464 -4.499 1.00 52.10 N ATOM 677 CA GLU A 45 50.445 -19.366 -5.016 1.00 33.11 C ATOM 678 C GLU A 45 51.036 -20.750 -5.293 1.00 32.45 C ATOM 679 O GLU A 45 50.373 -21.773 -5.106 1.00 53.21 O ATOM 680 CB GLU A 45 49.833 -18.792 -6.297 1.00 63.41 C ATOM 681 CG GLU A 45 49.443 -17.323 -6.192 1.00 44.43 C ATOM 682 CD GLU A 45 48.519 -17.031 -5.024 1.00 32.53 C ATOM 683 OE1 GLU A 45 47.300 -17.259 -5.154 1.00 61.31 O ATOM 684 OE2 GLU A 45 49.011 -16.556 -3.978 1.00 63.33 O ATOM 0 H GLU A 45 51.638 -17.648 -5.086 1.00 52.10 H new ATOM 0 HA GLU A 45 49.664 -19.468 -4.263 1.00 33.11 H new ATOM 0 HB2 GLU A 45 50.546 -18.911 -7.113 1.00 63.41 H new ATOM 0 HB3 GLU A 45 48.949 -19.374 -6.558 1.00 63.41 H new ATOM 0 HG2 GLU A 45 50.346 -16.720 -6.092 1.00 44.43 H new ATOM 0 HG3 GLU A 45 48.956 -17.016 -7.118 1.00 44.43 H new ATOM 691 N ASP A 46 52.290 -20.777 -5.731 1.00 54.25 N ATOM 692 CA ASP A 46 52.970 -22.037 -6.022 1.00 30.40 C ATOM 693 C ASP A 46 53.874 -22.446 -4.864 1.00 61.32 C ATOM 694 O ASP A 46 54.194 -23.621 -4.692 1.00 73.23 O ATOM 695 CB ASP A 46 53.797 -21.914 -7.306 1.00 23.20 C ATOM 696 CG ASP A 46 54.429 -23.225 -7.727 1.00 70.52 C ATOM 697 OD1 ASP A 46 53.714 -24.071 -8.304 1.00 44.22 O ATOM 698 OD2 ASP A 46 55.642 -23.400 -7.514 1.00 44.11 O ATOM 0 H ASP A 46 52.856 -19.944 -5.892 1.00 54.25 H new ATOM 0 HA ASP A 46 52.210 -22.806 -6.159 1.00 30.40 H new ATOM 0 HB2 ASP A 46 53.158 -21.549 -8.110 1.00 23.20 H new ATOM 0 HB3 ASP A 46 54.580 -21.170 -7.158 1.00 23.20 H new ATOM 703 N GLY A 47 54.260 -21.469 -4.055 1.00 73.12 N ATOM 704 CA GLY A 47 55.128 -21.740 -2.927 1.00 12.11 C ATOM 705 C GLY A 47 56.434 -20.978 -3.014 1.00 64.11 C ATOM 706 O GLY A 47 57.271 -21.057 -2.112 1.00 22.42 O ATOM 0 H GLY A 47 53.987 -20.492 -4.160 1.00 73.12 H new ATOM 0 HA2 GLY A 47 54.615 -21.473 -2.003 1.00 12.11 H new ATOM 0 HA3 GLY A 47 55.336 -22.809 -2.879 1.00 12.11 H new ATOM 710 N ILE A 48 56.608 -20.239 -4.100 1.00 0.01 N ATOM 711 CA ILE A 48 57.819 -19.458 -4.311 1.00 25.24 C ATOM 712 C ILE A 48 57.809 -18.236 -3.397 1.00 62.01 C ATOM 713 O ILE A 48 56.977 -17.343 -3.552 1.00 62.43 O ATOM 714 CB ILE A 48 57.948 -19.002 -5.783 1.00 14.52 C ATOM 715 CG1 ILE A 48 57.873 -20.203 -6.733 1.00 71.30 C ATOM 716 CG2 ILE A 48 59.246 -18.232 -5.992 1.00 22.34 C ATOM 717 CD1 ILE A 48 58.974 -21.225 -6.526 1.00 43.03 C ATOM 0 H ILE A 48 55.923 -20.164 -4.852 1.00 0.01 H new ATOM 0 HA ILE A 48 58.674 -20.092 -4.075 1.00 25.24 H new ATOM 0 HB ILE A 48 57.114 -18.338 -6.009 1.00 14.52 H new ATOM 0 HG12 ILE A 48 56.908 -20.694 -6.606 1.00 71.30 H new ATOM 0 HG13 ILE A 48 57.915 -19.843 -7.761 1.00 71.30 H new ATOM 0 HG21 ILE A 48 59.320 -17.919 -7.034 1.00 22.34 H new ATOM 0 HG22 ILE A 48 59.255 -17.353 -5.347 1.00 22.34 H new ATOM 0 HG23 ILE A 48 60.093 -18.872 -5.745 1.00 22.34 H new ATOM 0 HD11 ILE A 48 58.850 -22.042 -7.236 1.00 43.03 H new ATOM 0 HD12 ILE A 48 59.944 -20.752 -6.683 1.00 43.03 H new ATOM 0 HD13 ILE A 48 58.921 -21.616 -5.510 1.00 43.03 H new ATOM 729 N ALA A 49 58.724 -18.202 -2.444 1.00 31.20 N ATOM 730 CA ALA A 49 58.743 -17.136 -1.454 1.00 5.11 C ATOM 731 C ALA A 49 59.474 -15.902 -1.971 1.00 32.55 C ATOM 732 O ALA A 49 60.371 -15.998 -2.819 1.00 44.13 O ATOM 733 CB ALA A 49 59.379 -17.621 -0.162 1.00 50.42 C ATOM 0 H ALA A 49 59.462 -18.897 -2.334 1.00 31.20 H new ATOM 0 HA ALA A 49 57.709 -16.853 -1.256 1.00 5.11 H new ATOM 0 HB1 ALA A 49 59.385 -16.811 0.567 1.00 50.42 H new ATOM 0 HB2 ALA A 49 58.806 -18.460 0.233 1.00 50.42 H new ATOM 0 HB3 ALA A 49 60.403 -17.940 -0.358 1.00 50.42 H new ATOM 739 N ALA A 50 59.081 -14.747 -1.456 1.00 43.33 N ATOM 740 CA ALA A 50 59.718 -13.488 -1.807 1.00 31.42 C ATOM 741 C ALA A 50 61.216 -13.559 -1.537 1.00 65.35 C ATOM 742 O ALA A 50 61.638 -13.841 -0.413 1.00 33.24 O ATOM 743 CB ALA A 50 59.088 -12.353 -1.015 1.00 12.13 C ATOM 0 H ALA A 50 58.316 -14.656 -0.787 1.00 43.33 H new ATOM 0 HA ALA A 50 59.570 -13.300 -2.870 1.00 31.42 H new ATOM 0 HB1 ALA A 50 59.569 -11.412 -1.282 1.00 12.13 H new ATOM 0 HB2 ALA A 50 58.024 -12.295 -1.246 1.00 12.13 H new ATOM 0 HB3 ALA A 50 59.218 -12.537 0.051 1.00 12.13 H new ATOM 749 N GLY A 51 62.018 -13.335 -2.570 1.00 23.11 N ATOM 750 CA GLY A 51 63.453 -13.412 -2.407 1.00 51.21 C ATOM 751 C GLY A 51 64.041 -14.653 -3.048 1.00 12.22 C ATOM 752 O GLY A 51 65.266 -14.815 -3.090 1.00 44.15 O ATOM 0 H GLY A 51 61.701 -13.103 -3.511 1.00 23.11 H new ATOM 0 HA2 GLY A 51 63.914 -12.527 -2.845 1.00 51.21 H new ATOM 0 HA3 GLY A 51 63.696 -13.405 -1.345 1.00 51.21 H new ATOM 756 N THR A 52 63.177 -15.545 -3.527 1.00 34.23 N ATOM 757 CA THR A 52 63.638 -16.724 -4.247 1.00 72.11 C ATOM 758 C THR A 52 64.205 -16.322 -5.603 1.00 32.45 C ATOM 759 O THR A 52 63.556 -15.616 -6.377 1.00 11.25 O ATOM 760 CB THR A 52 62.499 -17.750 -4.441 1.00 4.53 C ATOM 761 OG1 THR A 52 61.912 -18.077 -3.175 1.00 61.21 O ATOM 762 CG2 THR A 52 63.014 -19.024 -5.096 1.00 63.31 C ATOM 0 H THR A 52 62.164 -15.473 -3.430 1.00 34.23 H new ATOM 0 HA THR A 52 64.420 -17.193 -3.650 1.00 72.11 H new ATOM 0 HB THR A 52 61.750 -17.299 -5.092 1.00 4.53 H new ATOM 0 HG1 THR A 52 61.063 -17.597 -3.074 1.00 61.21 H new ATOM 0 HG21 THR A 52 62.191 -19.728 -5.220 1.00 63.31 H new ATOM 0 HG22 THR A 52 63.438 -18.786 -6.072 1.00 63.31 H new ATOM 0 HG23 THR A 52 63.782 -19.472 -4.466 1.00 63.31 H new ATOM 770 N ARG A 53 65.425 -16.766 -5.873 1.00 11.11 N ATOM 771 CA ARG A 53 66.107 -16.434 -7.109 1.00 1.42 C ATOM 772 C ARG A 53 65.663 -17.350 -8.234 1.00 24.11 C ATOM 773 O ARG A 53 65.232 -18.480 -7.994 1.00 33.21 O ATOM 774 CB ARG A 53 67.619 -16.560 -6.929 1.00 42.33 C ATOM 775 CG ARG A 53 68.258 -15.373 -6.234 1.00 70.11 C ATOM 776 CD ARG A 53 68.389 -14.195 -7.182 1.00 62.02 C ATOM 777 NE ARG A 53 69.151 -14.551 -8.382 1.00 73.44 N ATOM 778 CZ ARG A 53 69.414 -13.711 -9.377 1.00 34.42 C ATOM 779 NH1 ARG A 53 68.982 -12.458 -9.329 1.00 5.03 N ATOM 780 NH2 ARG A 53 70.099 -14.134 -10.428 1.00 20.33 N ATOM 0 H ARG A 53 65.964 -17.362 -5.244 1.00 11.11 H new ATOM 0 HA ARG A 53 65.852 -15.406 -7.366 1.00 1.42 H new ATOM 0 HB2 ARG A 53 67.832 -17.462 -6.355 1.00 42.33 H new ATOM 0 HB3 ARG A 53 68.082 -16.687 -7.908 1.00 42.33 H new ATOM 0 HG2 ARG A 53 67.657 -15.085 -5.371 1.00 70.11 H new ATOM 0 HG3 ARG A 53 69.242 -15.653 -5.858 1.00 70.11 H new ATOM 0 HD2 ARG A 53 67.397 -13.847 -7.470 1.00 62.02 H new ATOM 0 HD3 ARG A 53 68.881 -13.368 -6.670 1.00 62.02 H new ATOM 0 HE ARG A 53 69.502 -15.506 -8.458 1.00 73.44 H new ATOM 0 HH11 ARG A 53 68.444 -12.134 -8.525 1.00 5.03 H new ATOM 0 HH12 ARG A 53 69.187 -11.818 -10.096 1.00 5.03 H new ATOM 0 HH21 ARG A 53 70.422 -15.101 -10.471 1.00 20.33 H new ATOM 0 HH22 ARG A 53 70.304 -13.493 -11.195 1.00 20.33 H new ATOM 794 N TRP A 54 65.786 -16.861 -9.454 1.00 75.02 N ATOM 795 CA TRP A 54 65.530 -17.669 -10.638 1.00 4.51 C ATOM 796 C TRP A 54 66.480 -18.864 -10.663 1.00 51.50 C ATOM 797 O TRP A 54 66.181 -19.908 -11.246 1.00 53.22 O ATOM 798 CB TRP A 54 65.713 -16.813 -11.892 1.00 14.02 C ATOM 799 CG TRP A 54 65.137 -17.424 -13.133 1.00 2.34 C ATOM 800 CD1 TRP A 54 65.825 -17.906 -14.208 1.00 3.31 C ATOM 801 CD2 TRP A 54 63.749 -17.607 -13.428 1.00 24.15 C ATOM 802 NE1 TRP A 54 64.948 -18.370 -15.159 1.00 35.15 N ATOM 803 CE2 TRP A 54 63.667 -18.199 -14.701 1.00 51.34 C ATOM 804 CE3 TRP A 54 62.566 -17.325 -12.739 1.00 75.45 C ATOM 805 CZ2 TRP A 54 62.451 -18.516 -15.296 1.00 72.10 C ATOM 806 CZ3 TRP A 54 61.359 -17.640 -13.332 1.00 62.21 C ATOM 807 CH2 TRP A 54 61.310 -18.230 -14.598 1.00 44.10 C ATOM 0 H TRP A 54 66.064 -15.900 -9.654 1.00 75.02 H new ATOM 0 HA TRP A 54 64.505 -18.040 -10.612 1.00 4.51 H new ATOM 0 HB2 TRP A 54 65.248 -15.841 -11.728 1.00 14.02 H new ATOM 0 HB3 TRP A 54 66.777 -16.635 -12.047 1.00 14.02 H new ATOM 0 HD1 TRP A 54 66.901 -17.921 -14.298 1.00 3.31 H new ATOM 0 HE1 TRP A 54 65.208 -18.775 -16.058 1.00 35.15 H new ATOM 0 HE3 TRP A 54 62.595 -16.869 -11.760 1.00 75.45 H new ATOM 0 HZ2 TRP A 54 62.409 -18.972 -16.274 1.00 72.10 H new ATOM 0 HZ3 TRP A 54 60.438 -17.427 -12.809 1.00 62.21 H new ATOM 0 HH2 TRP A 54 60.351 -18.465 -15.035 1.00 44.10 H new ATOM 818 N ASP A 55 67.628 -18.689 -10.009 1.00 34.41 N ATOM 819 CA ASP A 55 68.626 -19.743 -9.869 1.00 13.53 C ATOM 820 C ASP A 55 68.096 -20.876 -9.000 1.00 43.20 C ATOM 821 O ASP A 55 68.361 -22.049 -9.263 1.00 13.14 O ATOM 822 CB ASP A 55 69.908 -19.197 -9.228 1.00 34.21 C ATOM 823 CG ASP A 55 70.475 -17.995 -9.951 1.00 1.12 C ATOM 824 OD1 ASP A 55 71.270 -18.178 -10.896 1.00 31.22 O ATOM 825 OD2 ASP A 55 70.135 -16.856 -9.568 1.00 31.21 O ATOM 0 H ASP A 55 67.890 -17.811 -9.562 1.00 34.41 H new ATOM 0 HA ASP A 55 68.846 -20.118 -10.869 1.00 13.53 H new ATOM 0 HB2 ASP A 55 69.701 -18.925 -8.193 1.00 34.21 H new ATOM 0 HB3 ASP A 55 70.659 -19.986 -9.206 1.00 34.21 H new ATOM 830 N ASP A 56 67.352 -20.512 -7.956 1.00 74.00 N ATOM 831 CA ASP A 56 66.824 -21.490 -7.007 1.00 13.50 C ATOM 832 C ASP A 56 65.667 -22.245 -7.637 1.00 35.01 C ATOM 833 O ASP A 56 65.459 -23.428 -7.369 1.00 73.34 O ATOM 834 CB ASP A 56 66.333 -20.815 -5.717 1.00 10.43 C ATOM 835 CG ASP A 56 67.392 -19.981 -5.021 1.00 24.32 C ATOM 836 OD1 ASP A 56 68.468 -20.522 -4.684 1.00 45.42 O ATOM 837 OD2 ASP A 56 67.136 -18.782 -4.774 1.00 73.21 O ATOM 0 H ASP A 56 67.101 -19.546 -7.746 1.00 74.00 H new ATOM 0 HA ASP A 56 67.632 -22.176 -6.755 1.00 13.50 H new ATOM 0 HB2 ASP A 56 65.480 -20.179 -5.953 1.00 10.43 H new ATOM 0 HB3 ASP A 56 65.978 -21.582 -5.029 1.00 10.43 H new ATOM 842 N ILE A 57 64.911 -21.543 -8.468 1.00 54.25 N ATOM 843 CA ILE A 57 63.776 -22.127 -9.162 1.00 24.31 C ATOM 844 C ILE A 57 64.233 -23.227 -10.122 1.00 43.24 C ATOM 845 O ILE A 57 65.046 -22.981 -11.014 1.00 14.33 O ATOM 846 CB ILE A 57 62.992 -21.049 -9.942 1.00 73.12 C ATOM 847 CG1 ILE A 57 62.416 -20.016 -8.971 1.00 25.30 C ATOM 848 CG2 ILE A 57 61.882 -21.680 -10.769 1.00 13.22 C ATOM 849 CD1 ILE A 57 61.650 -18.900 -9.646 1.00 14.05 C ATOM 0 H ILE A 57 65.067 -20.557 -8.679 1.00 54.25 H new ATOM 0 HA ILE A 57 63.119 -22.564 -8.410 1.00 24.31 H new ATOM 0 HB ILE A 57 63.678 -20.547 -10.625 1.00 73.12 H new ATOM 0 HG12 ILE A 57 61.756 -20.522 -8.267 1.00 25.30 H new ATOM 0 HG13 ILE A 57 63.231 -19.584 -8.390 1.00 25.30 H new ATOM 0 HG21 ILE A 57 61.344 -20.902 -11.310 1.00 13.22 H new ATOM 0 HG22 ILE A 57 62.314 -22.384 -11.481 1.00 13.22 H new ATOM 0 HG23 ILE A 57 61.192 -22.207 -10.110 1.00 13.22 H new ATOM 0 HD11 ILE A 57 61.273 -18.209 -8.892 1.00 14.05 H new ATOM 0 HD12 ILE A 57 62.311 -18.366 -10.329 1.00 14.05 H new ATOM 0 HD13 ILE A 57 60.813 -19.319 -10.204 1.00 14.05 H new ATOM 861 N PRO A 58 63.720 -24.455 -9.940 1.00 63.44 N ATOM 862 CA PRO A 58 64.085 -25.602 -10.776 1.00 3.44 C ATOM 863 C PRO A 58 63.578 -25.457 -12.207 1.00 51.00 C ATOM 864 O PRO A 58 62.535 -24.850 -12.452 1.00 45.01 O ATOM 865 CB PRO A 58 63.396 -26.795 -10.097 1.00 24.00 C ATOM 866 CG PRO A 58 62.941 -26.303 -8.764 1.00 73.11 C ATOM 867 CD PRO A 58 62.739 -24.824 -8.909 1.00 50.42 C ATOM 0 HA PRO A 58 65.167 -25.708 -10.854 1.00 3.44 H new ATOM 0 HB2 PRO A 58 62.553 -27.149 -10.691 1.00 24.00 H new ATOM 0 HB3 PRO A 58 64.084 -27.633 -9.989 1.00 24.00 H new ATOM 0 HG2 PRO A 58 62.016 -26.794 -8.463 1.00 73.11 H new ATOM 0 HG3 PRO A 58 63.682 -26.521 -7.995 1.00 73.11 H new ATOM 0 HD2 PRO A 58 61.721 -24.584 -9.216 1.00 50.42 H new ATOM 0 HD3 PRO A 58 62.921 -24.298 -7.972 1.00 50.42 H new ATOM 875 N ASP A 59 64.306 -26.040 -13.152 1.00 25.01 N ATOM 876 CA ASP A 59 63.911 -26.001 -14.557 1.00 41.44 C ATOM 877 C ASP A 59 62.702 -26.901 -14.789 1.00 34.41 C ATOM 878 O ASP A 59 62.105 -26.902 -15.867 1.00 72.22 O ATOM 879 CB ASP A 59 65.072 -26.417 -15.467 1.00 1.55 C ATOM 880 CG ASP A 59 65.454 -27.875 -15.318 1.00 42.44 C ATOM 881 OD1 ASP A 59 66.121 -28.222 -14.321 1.00 4.21 O ATOM 882 OD2 ASP A 59 65.089 -28.684 -16.201 1.00 11.32 O ATOM 0 H ASP A 59 65.173 -26.546 -12.972 1.00 25.01 H new ATOM 0 HA ASP A 59 63.639 -24.975 -14.807 1.00 41.44 H new ATOM 0 HB2 ASP A 59 64.799 -26.224 -16.504 1.00 1.55 H new ATOM 0 HB3 ASP A 59 65.940 -25.796 -15.245 1.00 1.55 H new ATOM 887 N ASP A 60 62.353 -27.667 -13.763 1.00 32.43 N ATOM 888 CA ASP A 60 61.153 -28.494 -13.777 1.00 54.13 C ATOM 889 C ASP A 60 59.932 -27.671 -13.381 1.00 24.24 C ATOM 890 O ASP A 60 58.815 -28.188 -13.322 1.00 12.35 O ATOM 891 CB ASP A 60 61.303 -29.678 -12.818 1.00 23.23 C ATOM 892 CG ASP A 60 62.239 -30.743 -13.341 1.00 23.22 C ATOM 893 OD1 ASP A 60 63.462 -30.634 -13.111 1.00 42.45 O ATOM 894 OD2 ASP A 60 61.755 -31.704 -13.973 1.00 70.35 O ATOM 0 H ASP A 60 62.892 -27.732 -12.900 1.00 32.43 H new ATOM 0 HA ASP A 60 61.017 -28.872 -14.790 1.00 54.13 H new ATOM 0 HB2 ASP A 60 61.672 -29.317 -11.858 1.00 23.23 H new ATOM 0 HB3 ASP A 60 60.323 -30.119 -12.638 1.00 23.23 H new ATOM 899 N TRP A 61 60.156 -26.394 -13.094 1.00 5.24 N ATOM 900 CA TRP A 61 59.078 -25.487 -12.728 1.00 42.43 C ATOM 901 C TRP A 61 58.541 -24.783 -13.970 1.00 33.21 C ATOM 902 O TRP A 61 59.282 -24.089 -14.670 1.00 22.24 O ATOM 903 CB TRP A 61 59.588 -24.460 -11.713 1.00 54.42 C ATOM 904 CG TRP A 61 58.542 -23.517 -11.198 1.00 53.20 C ATOM 905 CD1 TRP A 61 57.632 -23.764 -10.214 1.00 30.52 C ATOM 906 CD2 TRP A 61 58.314 -22.167 -11.622 1.00 34.02 C ATOM 907 NE1 TRP A 61 56.854 -22.658 -9.998 1.00 41.04 N ATOM 908 CE2 TRP A 61 57.250 -21.664 -10.850 1.00 14.21 C ATOM 909 CE3 TRP A 61 58.903 -21.336 -12.578 1.00 1.13 C ATOM 910 CZ2 TRP A 61 56.766 -20.368 -11.001 1.00 62.32 C ATOM 911 CZ3 TRP A 61 58.421 -20.048 -12.726 1.00 12.43 C ATOM 912 CH2 TRP A 61 57.361 -19.576 -11.943 1.00 25.01 C ATOM 0 H TRP A 61 61.080 -25.963 -13.108 1.00 5.24 H new ATOM 0 HA TRP A 61 58.268 -26.059 -12.276 1.00 42.43 H new ATOM 0 HB2 TRP A 61 60.027 -24.991 -10.868 1.00 54.42 H new ATOM 0 HB3 TRP A 61 60.387 -23.879 -12.174 1.00 54.42 H new ATOM 0 HD1 TRP A 61 57.538 -24.698 -9.681 1.00 30.52 H new ATOM 0 HE1 TRP A 61 56.102 -22.587 -9.313 1.00 41.04 H new ATOM 0 HE3 TRP A 61 59.719 -21.692 -13.190 1.00 1.13 H new ATOM 0 HZ2 TRP A 61 55.950 -20.001 -10.396 1.00 62.32 H new ATOM 0 HZ3 TRP A 61 58.871 -19.395 -13.459 1.00 12.43 H new ATOM 0 HH2 TRP A 61 57.006 -18.566 -12.086 1.00 25.01 H new ATOM 923 N SER A 62 57.263 -24.980 -14.248 1.00 54.20 N ATOM 924 CA SER A 62 56.626 -24.349 -15.390 1.00 3.30 C ATOM 925 C SER A 62 55.906 -23.074 -14.973 1.00 13.23 C ATOM 926 O SER A 62 55.546 -22.904 -13.807 1.00 63.43 O ATOM 927 CB SER A 62 55.640 -25.320 -16.044 1.00 63.43 C ATOM 928 OG SER A 62 54.934 -26.065 -15.064 1.00 64.32 O ATOM 0 H SER A 62 56.645 -25.574 -13.696 1.00 54.20 H new ATOM 0 HA SER A 62 57.399 -24.085 -16.112 1.00 3.30 H new ATOM 0 HB2 SER A 62 54.934 -24.766 -16.663 1.00 63.43 H new ATOM 0 HB3 SER A 62 56.178 -26.000 -16.705 1.00 63.43 H new ATOM 0 HG SER A 62 54.309 -26.677 -15.506 1.00 64.32 H new ATOM 934 N CYS A 63 55.714 -22.181 -15.935 1.00 24.15 N ATOM 935 CA CYS A 63 54.970 -20.949 -15.721 1.00 63.43 C ATOM 936 C CYS A 63 53.557 -21.258 -15.232 1.00 24.51 C ATOM 937 O CYS A 63 52.795 -21.932 -15.918 1.00 44.14 O ATOM 938 CB CYS A 63 54.908 -20.152 -17.027 1.00 63.12 C ATOM 939 SG CYS A 63 53.918 -18.640 -16.945 1.00 13.20 S ATOM 0 H CYS A 63 56.070 -22.291 -16.885 1.00 24.15 H new ATOM 0 HA CYS A 63 55.479 -20.357 -14.960 1.00 63.43 H new ATOM 0 HB2 CYS A 63 55.923 -19.889 -17.325 1.00 63.12 H new ATOM 0 HB3 CYS A 63 54.502 -20.794 -17.809 1.00 63.12 H new ATOM 944 N PRO A 64 53.189 -20.763 -14.043 1.00 12.23 N ATOM 945 CA PRO A 64 51.858 -20.994 -13.458 1.00 52.51 C ATOM 946 C PRO A 64 50.729 -20.377 -14.287 1.00 52.22 C ATOM 947 O PRO A 64 49.547 -20.631 -14.039 1.00 21.33 O ATOM 948 CB PRO A 64 51.945 -20.311 -12.087 1.00 2.43 C ATOM 949 CG PRO A 64 53.066 -19.341 -12.203 1.00 63.34 C ATOM 950 CD PRO A 64 54.044 -19.953 -13.160 1.00 75.23 C ATOM 0 HA PRO A 64 51.622 -22.057 -13.410 1.00 52.51 H new ATOM 0 HB2 PRO A 64 51.012 -19.806 -11.839 1.00 2.43 H new ATOM 0 HB3 PRO A 64 52.134 -21.038 -11.297 1.00 2.43 H new ATOM 0 HG2 PRO A 64 52.712 -18.378 -12.570 1.00 63.34 H new ATOM 0 HG3 PRO A 64 53.529 -19.162 -11.233 1.00 63.34 H new ATOM 0 HD2 PRO A 64 54.592 -19.193 -13.717 1.00 75.23 H new ATOM 0 HD3 PRO A 64 54.784 -20.565 -12.644 1.00 75.23 H new ATOM 958 N ASP A 65 51.099 -19.567 -15.268 1.00 62.43 N ATOM 959 CA ASP A 65 50.129 -18.896 -16.123 1.00 4.14 C ATOM 960 C ASP A 65 49.715 -19.785 -17.295 1.00 73.14 C ATOM 961 O ASP A 65 48.534 -20.089 -17.467 1.00 75.43 O ATOM 962 CB ASP A 65 50.714 -17.581 -16.639 1.00 75.11 C ATOM 963 CG ASP A 65 49.774 -16.846 -17.573 1.00 74.01 C ATOM 964 OD1 ASP A 65 48.935 -16.067 -17.081 1.00 12.44 O ATOM 965 OD2 ASP A 65 49.889 -17.034 -18.799 1.00 62.34 O ATOM 0 H ASP A 65 52.071 -19.357 -15.493 1.00 62.43 H new ATOM 0 HA ASP A 65 49.238 -18.687 -15.530 1.00 4.14 H new ATOM 0 HB2 ASP A 65 50.953 -16.938 -15.792 1.00 75.11 H new ATOM 0 HB3 ASP A 65 51.650 -17.784 -17.159 1.00 75.11 H new ATOM 970 N CYS A 66 50.688 -20.210 -18.089 1.00 24.23 N ATOM 971 CA CYS A 66 50.404 -20.999 -19.286 1.00 44.35 C ATOM 972 C CYS A 66 51.042 -22.387 -19.220 1.00 61.50 C ATOM 973 O CYS A 66 50.549 -23.337 -19.826 1.00 33.10 O ATOM 974 CB CYS A 66 50.905 -20.250 -20.517 1.00 11.53 C ATOM 975 SG CYS A 66 52.620 -19.695 -20.379 1.00 2.42 S ATOM 0 H CYS A 66 51.678 -20.024 -17.929 1.00 24.23 H new ATOM 0 HA CYS A 66 49.325 -21.140 -19.349 1.00 44.35 H new ATOM 0 HB2 CYS A 66 50.810 -20.897 -21.389 1.00 11.53 H new ATOM 0 HB3 CYS A 66 50.265 -19.385 -20.691 1.00 11.53 H new ATOM 980 N GLY A 67 52.130 -22.505 -18.474 1.00 11.35 N ATOM 981 CA GLY A 67 52.836 -23.770 -18.385 1.00 2.21 C ATOM 982 C GLY A 67 54.107 -23.788 -19.208 1.00 45.15 C ATOM 983 O GLY A 67 54.747 -24.831 -19.341 1.00 12.15 O ATOM 0 H GLY A 67 52.539 -21.747 -17.927 1.00 11.35 H new ATOM 0 HA2 GLY A 67 53.080 -23.973 -17.342 1.00 2.21 H new ATOM 0 HA3 GLY A 67 52.179 -24.573 -18.720 1.00 2.21 H new ATOM 987 N ALA A 68 54.469 -22.642 -19.774 1.00 3.21 N ATOM 988 CA ALA A 68 55.716 -22.523 -20.521 1.00 51.33 C ATOM 989 C ALA A 68 56.906 -22.724 -19.592 1.00 24.02 C ATOM 990 O ALA A 68 56.809 -22.474 -18.391 1.00 24.41 O ATOM 991 CB ALA A 68 55.796 -21.172 -21.212 1.00 22.41 C ATOM 0 H ALA A 68 53.919 -21.784 -19.730 1.00 3.21 H new ATOM 0 HA ALA A 68 55.740 -23.298 -21.287 1.00 51.33 H new ATOM 0 HB1 ALA A 68 56.733 -21.101 -21.764 1.00 22.41 H new ATOM 0 HB2 ALA A 68 54.959 -21.066 -21.902 1.00 22.41 H new ATOM 0 HB3 ALA A 68 55.754 -20.379 -20.466 1.00 22.41 H new ATOM 997 N ALA A 69 58.019 -23.176 -20.144 1.00 63.43 N ATOM 998 CA ALA A 69 59.189 -23.490 -19.342 1.00 14.25 C ATOM 999 C ALA A 69 60.008 -22.239 -19.052 1.00 45.14 C ATOM 1000 O ALA A 69 59.732 -21.169 -19.594 1.00 64.45 O ATOM 1001 CB ALA A 69 60.041 -24.531 -20.048 1.00 43.25 C ATOM 0 H ALA A 69 58.137 -23.334 -21.145 1.00 63.43 H new ATOM 0 HA ALA A 69 58.851 -23.896 -18.389 1.00 14.25 H new ATOM 0 HB1 ALA A 69 60.915 -24.759 -19.439 1.00 43.25 H new ATOM 0 HB2 ALA A 69 59.456 -25.439 -20.198 1.00 43.25 H new ATOM 0 HB3 ALA A 69 60.363 -24.143 -21.014 1.00 43.25 H new ATOM 1007 N LYS A 70 61.017 -22.384 -18.200 1.00 44.04 N ATOM 1008 CA LYS A 70 61.915 -21.276 -17.868 1.00 2.40 C ATOM 1009 C LYS A 70 62.573 -20.706 -19.123 1.00 33.52 C ATOM 1010 O LYS A 70 62.844 -19.506 -19.209 1.00 53.10 O ATOM 1011 CB LYS A 70 62.992 -21.737 -16.881 1.00 2.20 C ATOM 1012 CG LYS A 70 62.447 -22.145 -15.521 1.00 4.42 C ATOM 1013 CD LYS A 70 63.553 -22.632 -14.593 1.00 65.43 C ATOM 1014 CE LYS A 70 64.637 -21.583 -14.402 1.00 20.30 C ATOM 1015 NZ LYS A 70 65.693 -22.028 -13.454 1.00 61.24 N ATOM 0 H LYS A 70 61.237 -23.259 -17.724 1.00 44.04 H new ATOM 0 HA LYS A 70 61.318 -20.491 -17.404 1.00 2.40 H new ATOM 0 HB2 LYS A 70 63.531 -22.580 -17.314 1.00 2.20 H new ATOM 0 HB3 LYS A 70 63.715 -20.933 -16.745 1.00 2.20 H new ATOM 0 HG2 LYS A 70 61.936 -21.297 -15.065 1.00 4.42 H new ATOM 0 HG3 LYS A 70 61.705 -22.933 -15.648 1.00 4.42 H new ATOM 0 HD2 LYS A 70 63.126 -22.893 -13.625 1.00 65.43 H new ATOM 0 HD3 LYS A 70 63.995 -23.541 -15.001 1.00 65.43 H new ATOM 0 HE2 LYS A 70 65.091 -21.353 -15.366 1.00 20.30 H new ATOM 0 HE3 LYS A 70 64.187 -20.661 -14.034 1.00 20.30 H new ATOM 0 HZ1 LYS A 70 66.128 -21.197 -13.004 1.00 61.24 H new ATOM 0 HZ2 LYS A 70 65.270 -22.635 -12.723 1.00 61.24 H new ATOM 0 HZ3 LYS A 70 66.420 -22.563 -13.970 1.00 61.24 H new ATOM 1029 N SER A 71 62.797 -21.569 -20.106 1.00 24.44 N ATOM 1030 CA SER A 71 63.428 -21.173 -21.359 1.00 74.02 C ATOM 1031 C SER A 71 62.535 -20.205 -22.139 1.00 74.23 C ATOM 1032 O SER A 71 62.973 -19.557 -23.090 1.00 30.43 O ATOM 1033 CB SER A 71 63.726 -22.416 -22.203 1.00 35.23 C ATOM 1034 OG SER A 71 64.558 -22.104 -23.306 1.00 35.24 O ATOM 0 H SER A 71 62.548 -22.557 -20.058 1.00 24.44 H new ATOM 0 HA SER A 71 64.362 -20.660 -21.130 1.00 74.02 H new ATOM 0 HB2 SER A 71 64.209 -23.171 -21.583 1.00 35.23 H new ATOM 0 HB3 SER A 71 62.791 -22.847 -22.561 1.00 35.23 H new ATOM 0 HG SER A 71 64.331 -21.213 -23.645 1.00 35.24 H new ATOM 1040 N ASP A 72 61.279 -20.101 -21.727 1.00 22.41 N ATOM 1041 CA ASP A 72 60.329 -19.215 -22.384 1.00 53.55 C ATOM 1042 C ASP A 72 60.169 -17.917 -21.602 1.00 72.53 C ATOM 1043 O ASP A 72 59.241 -17.143 -21.843 1.00 51.33 O ATOM 1044 CB ASP A 72 58.971 -19.901 -22.541 1.00 31.01 C ATOM 1045 CG ASP A 72 59.038 -21.120 -23.434 1.00 15.41 C ATOM 1046 OD1 ASP A 72 59.036 -20.953 -24.672 1.00 14.24 O ATOM 1047 OD2 ASP A 72 59.094 -22.253 -22.905 1.00 20.11 O ATOM 0 H ASP A 72 60.894 -20.621 -20.939 1.00 22.41 H new ATOM 0 HA ASP A 72 60.720 -18.979 -23.374 1.00 53.55 H new ATOM 0 HB2 ASP A 72 58.600 -20.194 -21.559 1.00 31.01 H new ATOM 0 HB3 ASP A 72 58.254 -19.191 -22.954 1.00 31.01 H new ATOM 1052 N PHE A 73 61.068 -17.685 -20.655 1.00 54.42 N ATOM 1053 CA PHE A 73 61.063 -16.441 -19.896 1.00 32.03 C ATOM 1054 C PHE A 73 62.165 -15.501 -20.371 1.00 41.43 C ATOM 1055 O PHE A 73 63.211 -15.938 -20.865 1.00 33.41 O ATOM 1056 CB PHE A 73 61.231 -16.721 -18.400 1.00 12.00 C ATOM 1057 CG PHE A 73 59.983 -17.228 -17.730 1.00 5.31 C ATOM 1058 CD1 PHE A 73 59.627 -18.564 -17.810 1.00 13.51 C ATOM 1059 CD2 PHE A 73 59.172 -16.364 -17.015 1.00 71.52 C ATOM 1060 CE1 PHE A 73 58.484 -19.028 -17.190 1.00 43.50 C ATOM 1061 CE2 PHE A 73 58.028 -16.821 -16.391 1.00 75.12 C ATOM 1062 CZ PHE A 73 57.684 -18.154 -16.477 1.00 32.20 C ATOM 0 H PHE A 73 61.807 -18.338 -20.395 1.00 54.42 H new ATOM 0 HA PHE A 73 60.100 -15.958 -20.062 1.00 32.03 H new ATOM 0 HB2 PHE A 73 62.027 -17.453 -18.265 1.00 12.00 H new ATOM 0 HB3 PHE A 73 61.552 -15.806 -17.903 1.00 12.00 H new ATOM 0 HD1 PHE A 73 60.250 -19.251 -18.364 1.00 13.51 H new ATOM 0 HD2 PHE A 73 59.437 -15.319 -16.944 1.00 71.52 H new ATOM 0 HE1 PHE A 73 58.215 -20.072 -17.262 1.00 43.50 H new ATOM 0 HE2 PHE A 73 57.404 -16.136 -15.837 1.00 75.12 H new ATOM 0 HZ PHE A 73 56.791 -18.515 -15.988 1.00 32.20 H new ATOM 1072 N GLU A 74 61.918 -14.210 -20.239 1.00 11.30 N ATOM 1073 CA GLU A 74 62.915 -13.204 -20.550 1.00 71.52 C ATOM 1074 C GLU A 74 63.342 -12.491 -19.274 1.00 63.42 C ATOM 1075 O GLU A 74 62.549 -12.354 -18.335 1.00 24.10 O ATOM 1076 CB GLU A 74 62.369 -12.191 -21.558 1.00 55.11 C ATOM 1077 CG GLU A 74 61.227 -11.345 -21.018 1.00 15.31 C ATOM 1078 CD GLU A 74 60.877 -10.188 -21.927 1.00 10.03 C ATOM 1079 OE1 GLU A 74 61.730 -9.299 -22.115 1.00 22.12 O ATOM 1080 OE2 GLU A 74 59.745 -10.155 -22.456 1.00 33.13 O ATOM 0 H GLU A 74 61.027 -13.832 -19.916 1.00 11.30 H new ATOM 0 HA GLU A 74 63.779 -13.698 -20.995 1.00 71.52 H new ATOM 0 HB2 GLU A 74 63.179 -11.533 -21.873 1.00 55.11 H new ATOM 0 HB3 GLU A 74 62.027 -12.723 -22.445 1.00 55.11 H new ATOM 0 HG2 GLU A 74 60.347 -11.974 -20.882 1.00 15.31 H new ATOM 0 HG3 GLU A 74 61.499 -10.960 -20.035 1.00 15.31 H new ATOM 1087 N MET A 75 64.587 -12.042 -19.242 1.00 1.12 N ATOM 1088 CA MET A 75 65.123 -11.370 -18.071 1.00 0.12 C ATOM 1089 C MET A 75 64.986 -9.861 -18.213 1.00 41.40 C ATOM 1090 O MET A 75 65.716 -9.228 -18.979 1.00 64.03 O ATOM 1091 CB MET A 75 66.595 -11.738 -17.860 1.00 65.23 C ATOM 1092 CG MET A 75 67.201 -11.122 -16.607 1.00 22.24 C ATOM 1093 SD MET A 75 68.973 -11.428 -16.460 1.00 62.41 S ATOM 1094 CE MET A 75 69.015 -13.219 -16.425 1.00 41.21 C ATOM 0 H MET A 75 65.246 -12.132 -20.016 1.00 1.12 H new ATOM 0 HA MET A 75 64.551 -11.699 -17.203 1.00 0.12 H new ATOM 0 HB2 MET A 75 66.685 -12.823 -17.802 1.00 65.23 H new ATOM 0 HB3 MET A 75 67.170 -11.416 -18.728 1.00 65.23 H new ATOM 0 HG2 MET A 75 67.023 -10.047 -16.614 1.00 22.24 H new ATOM 0 HG3 MET A 75 66.694 -11.523 -15.729 1.00 22.24 H new ATOM 0 HE1 MET A 75 69.717 -13.552 -15.660 1.00 41.21 H new ATOM 0 HE2 MET A 75 68.020 -13.602 -16.196 1.00 41.21 H new ATOM 0 HE3 MET A 75 69.334 -13.595 -17.397 1.00 41.21 H new ATOM 1104 N VAL A 76 64.032 -9.297 -17.493 1.00 52.24 N ATOM 1105 CA VAL A 76 63.857 -7.858 -17.451 1.00 50.44 C ATOM 1106 C VAL A 76 64.625 -7.292 -16.267 1.00 33.40 C ATOM 1107 O VAL A 76 64.399 -7.688 -15.118 1.00 12.34 O ATOM 1108 CB VAL A 76 62.368 -7.462 -17.338 1.00 64.25 C ATOM 1109 CG1 VAL A 76 62.205 -5.949 -17.401 1.00 52.34 C ATOM 1110 CG2 VAL A 76 61.545 -8.137 -18.427 1.00 70.33 C ATOM 0 H VAL A 76 63.363 -9.819 -16.926 1.00 52.24 H new ATOM 0 HA VAL A 76 64.240 -7.446 -18.384 1.00 50.44 H new ATOM 0 HB VAL A 76 61.999 -7.804 -16.371 1.00 64.25 H new ATOM 0 HG11 VAL A 76 61.149 -5.693 -17.320 1.00 52.34 H new ATOM 0 HG12 VAL A 76 62.754 -5.489 -16.579 1.00 52.34 H new ATOM 0 HG13 VAL A 76 62.596 -5.580 -18.349 1.00 52.34 H new ATOM 0 HG21 VAL A 76 60.500 -7.844 -18.328 1.00 70.33 H new ATOM 0 HG22 VAL A 76 61.916 -7.832 -19.405 1.00 70.33 H new ATOM 0 HG23 VAL A 76 61.629 -9.219 -18.328 1.00 70.33 H new ATOM 1120 N GLU A 77 65.549 -6.392 -16.552 1.00 25.34 N ATOM 1121 CA GLU A 77 66.380 -5.806 -15.516 1.00 50.32 C ATOM 1122 C GLU A 77 65.691 -4.599 -14.898 1.00 51.53 C ATOM 1123 O GLU A 77 64.726 -4.067 -15.448 1.00 55.40 O ATOM 1124 CB GLU A 77 67.748 -5.403 -16.077 1.00 32.32 C ATOM 1125 CG GLU A 77 67.680 -4.370 -17.191 1.00 72.11 C ATOM 1126 CD GLU A 77 69.049 -4.010 -17.730 1.00 61.31 C ATOM 1127 OE1 GLU A 77 69.536 -4.718 -18.638 1.00 51.53 O ATOM 1128 OE2 GLU A 77 69.649 -3.030 -17.244 1.00 13.44 O ATOM 0 H GLU A 77 65.743 -6.051 -17.493 1.00 25.34 H new ATOM 0 HA GLU A 77 66.533 -6.557 -14.741 1.00 50.32 H new ATOM 0 HB2 GLU A 77 68.360 -5.008 -15.266 1.00 32.32 H new ATOM 0 HB3 GLU A 77 68.252 -6.294 -16.452 1.00 32.32 H new ATOM 0 HG2 GLU A 77 67.063 -4.755 -18.003 1.00 72.11 H new ATOM 0 HG3 GLU A 77 67.191 -3.470 -16.819 1.00 72.11 H new ATOM 1135 N VAL A 78 66.187 -4.180 -13.747 1.00 64.41 N ATOM 1136 CA VAL A 78 65.650 -3.020 -13.063 1.00 73.43 C ATOM 1137 C VAL A 78 66.285 -1.749 -13.606 1.00 32.33 C ATOM 1138 O VAL A 78 67.509 -1.622 -13.625 1.00 52.51 O ATOM 1139 CB VAL A 78 65.895 -3.110 -11.543 1.00 24.21 C ATOM 1140 CG1 VAL A 78 65.455 -1.835 -10.840 1.00 72.12 C ATOM 1141 CG2 VAL A 78 65.166 -4.310 -10.966 1.00 43.13 C ATOM 0 H VAL A 78 66.965 -4.630 -13.265 1.00 64.41 H new ATOM 0 HA VAL A 78 64.575 -2.994 -13.241 1.00 73.43 H new ATOM 0 HB VAL A 78 66.965 -3.232 -11.378 1.00 24.21 H new ATOM 0 HG11 VAL A 78 65.640 -1.927 -9.770 1.00 72.12 H new ATOM 0 HG12 VAL A 78 66.019 -0.989 -11.234 1.00 72.12 H new ATOM 0 HG13 VAL A 78 64.391 -1.673 -11.012 1.00 72.12 H new ATOM 0 HG21 VAL A 78 65.346 -4.363 -9.892 1.00 43.13 H new ATOM 0 HG22 VAL A 78 64.096 -4.209 -11.150 1.00 43.13 H new ATOM 0 HG23 VAL A 78 65.531 -5.221 -11.441 1.00 43.13 H new ATOM 1151 N ALA A 79 65.452 -0.823 -14.054 1.00 3.33 N ATOM 1152 CA ALA A 79 65.935 0.442 -14.582 1.00 60.23 C ATOM 1153 C ALA A 79 66.458 1.329 -13.460 1.00 2.51 C ATOM 1154 O ALA A 79 65.686 2.006 -12.775 1.00 1.25 O ATOM 1155 CB ALA A 79 64.836 1.151 -15.357 1.00 62.23 C ATOM 0 H ALA A 79 64.437 -0.924 -14.062 1.00 3.33 H new ATOM 0 HA ALA A 79 66.759 0.235 -15.265 1.00 60.23 H new ATOM 0 HB1 ALA A 79 65.216 2.096 -15.745 1.00 62.23 H new ATOM 0 HB2 ALA A 79 64.512 0.522 -16.186 1.00 62.23 H new ATOM 0 HB3 ALA A 79 63.991 1.344 -14.696 1.00 62.23 H new ATOM 1161 N ARG A 80 67.766 1.290 -13.256 1.00 22.14 N ATOM 1162 CA ARG A 80 68.407 2.100 -12.232 1.00 25.32 C ATOM 1163 C ARG A 80 68.481 3.550 -12.685 1.00 22.14 C ATOM 1164 O ARG A 80 69.244 3.891 -13.591 1.00 44.31 O ATOM 1165 CB ARG A 80 69.811 1.567 -11.929 1.00 24.44 C ATOM 1166 CG ARG A 80 69.823 0.144 -11.386 1.00 42.52 C ATOM 1167 CD ARG A 80 69.228 0.064 -9.991 1.00 0.12 C ATOM 1168 NE ARG A 80 70.088 0.690 -8.988 1.00 11.41 N ATOM 1169 CZ ARG A 80 69.724 0.917 -7.727 1.00 65.24 C ATOM 1170 NH1 ARG A 80 68.498 0.607 -7.315 1.00 52.54 N ATOM 1171 NH2 ARG A 80 70.588 1.451 -6.874 1.00 43.23 N ATOM 0 H ARG A 80 68.407 0.703 -13.789 1.00 22.14 H new ATOM 0 HA ARG A 80 67.812 2.045 -11.320 1.00 25.32 H new ATOM 0 HB2 ARG A 80 70.408 1.604 -12.840 1.00 24.44 H new ATOM 0 HB3 ARG A 80 70.292 2.226 -11.206 1.00 24.44 H new ATOM 0 HG2 ARG A 80 69.262 -0.505 -12.058 1.00 42.52 H new ATOM 0 HG3 ARG A 80 70.847 -0.228 -11.365 1.00 42.52 H new ATOM 0 HD2 ARG A 80 68.252 0.550 -9.985 1.00 0.12 H new ATOM 0 HD3 ARG A 80 69.065 -0.981 -9.727 1.00 0.12 H new ATOM 0 HE ARG A 80 71.027 0.971 -9.272 1.00 11.41 H new ATOM 0 HH11 ARG A 80 67.831 0.193 -7.966 1.00 52.54 H new ATOM 0 HH12 ARG A 80 68.225 0.783 -6.348 1.00 52.54 H new ATOM 0 HH21 ARG A 80 71.531 1.688 -7.184 1.00 43.23 H new ATOM 0 HH22 ARG A 80 70.310 1.625 -5.908 1.00 43.23 H new ATOM 1185 N SER A 81 67.680 4.392 -12.059 1.00 71.12 N ATOM 1186 CA SER A 81 67.602 5.790 -12.432 1.00 65.15 C ATOM 1187 C SER A 81 68.568 6.617 -11.590 1.00 70.11 C ATOM 1188 O SER A 81 69.684 6.901 -12.071 1.00 75.42 O ATOM 1189 CB SER A 81 66.165 6.287 -12.265 1.00 34.45 C ATOM 1190 OG SER A 81 65.258 5.431 -12.945 1.00 1.20 O ATOM 1191 OXT SER A 81 68.220 6.954 -10.440 1.00 0.00 O ATOM 0 H SER A 81 67.071 4.128 -11.285 1.00 71.12 H new ATOM 0 HA SER A 81 67.889 5.901 -13.478 1.00 65.15 H new ATOM 0 HB2 SER A 81 65.910 6.329 -11.206 1.00 34.45 H new ATOM 0 HB3 SER A 81 66.078 7.301 -12.654 1.00 34.45 H new ATOM 0 HG SER A 81 64.344 5.763 -12.826 1.00 1.20 H new TER 1197 SER A 81 HETATM 1198 ZN ZN A 82 53.553 -17.818 -19.185 1.00 11.12 ZN