USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 517 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 67 ASN : amide:sc= -3! K(o=-3.4!,f=-1.3) USER MOD Set 1.2: A 72 MET CE :methyl 166:sc= -0.359 (180deg=-0.592) USER MOD Single : A 11 THR OG1 : rot -102:sc= 2.26 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 133:sc= 0.0686 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -5.24! C(o=-5.2!,f=-4.5!) USER MOD Single : A 31 ASN : amide:sc= -0.226 K(o=-0.23,f=-2.5!) USER MOD Single : A 33 SER OG : rot 100:sc= 0.957 USER MOD Single : A 35 LYS NZ :NH3+ -161:sc= 0.716 (180deg=0.489) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -123:sc= -0.68 (180deg=-1.75) USER MOD Single : A 48 HIS : no HD1:sc= -1.62 X(o=-1.6,f=-1.4) USER MOD Single : A 57 ASN : amide:sc= -0.0107 X(o=-0.011,f=-0.011) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 148:sc= 2.05 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -4.11! K(o=-4.1!,f=-1.5) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 10 -11.127 6.207 -4.079 1.00 1.46 N ATOM 2 CA GLY A 10 -10.803 6.005 -2.645 1.00 1.08 C ATOM 3 C GLY A 10 -11.375 4.707 -2.111 1.00 0.90 C ATOM 4 O GLY A 10 -12.486 4.320 -2.471 1.00 1.21 O ATOM 0 HA2 GLY A 10 -9.721 6.005 -2.514 1.00 1.08 H new ATOM 0 HA3 GLY A 10 -11.194 6.840 -2.064 1.00 1.08 H new ATOM 8 N THR A 11 -10.620 4.026 -1.259 1.00 0.72 N ATOM 9 CA THR A 11 -11.046 2.759 -0.716 1.00 0.56 C ATOM 10 C THR A 11 -11.271 2.855 0.782 1.00 0.60 C ATOM 11 O THR A 11 -11.561 3.920 1.323 1.00 1.21 O ATOM 12 CB THR A 11 -10.002 1.668 -0.969 1.00 0.62 C ATOM 13 OG1 THR A 11 -8.978 2.154 -1.839 1.00 0.87 O ATOM 14 CG2 THR A 11 -10.638 0.433 -1.563 1.00 0.53 C ATOM 0 H THR A 11 -9.706 4.339 -0.932 1.00 0.72 H new ATOM 0 HA THR A 11 -11.979 2.501 -1.217 1.00 0.56 H new ATOM 0 HB THR A 11 -9.559 1.398 -0.010 1.00 0.62 H new ATOM 0 HG1 THR A 11 -9.130 1.814 -2.745 1.00 0.87 H new ATOM 0 HG21 THR A 11 -9.873 -0.325 -1.732 1.00 0.53 H new ATOM 0 HG22 THR A 11 -11.389 0.044 -0.875 1.00 0.53 H new ATOM 0 HG23 THR A 11 -11.112 0.688 -2.511 1.00 0.53 H new ATOM 22 N TYR A 12 -11.095 1.724 1.436 1.00 0.44 N ATOM 23 CA TYR A 12 -11.428 1.563 2.838 1.00 0.37 C ATOM 24 C TYR A 12 -10.354 0.750 3.535 1.00 0.37 C ATOM 25 O TYR A 12 -9.223 0.645 3.061 1.00 0.41 O ATOM 26 CB TYR A 12 -12.729 0.788 2.965 1.00 0.41 C ATOM 27 CG TYR A 12 -13.654 0.922 1.783 1.00 0.47 C ATOM 28 CD1 TYR A 12 -14.330 2.110 1.556 1.00 0.56 C ATOM 29 CD2 TYR A 12 -13.863 -0.131 0.906 1.00 0.57 C ATOM 30 CE1 TYR A 12 -15.188 2.245 0.493 1.00 0.64 C ATOM 31 CE2 TYR A 12 -14.723 -0.004 -0.159 1.00 0.67 C ATOM 32 CZ TYR A 12 -15.323 1.152 -0.416 1.00 0.66 C ATOM 33 OH TYR A 12 -16.245 1.317 -1.431 1.00 0.79 O ATOM 0 H TYR A 12 -10.713 0.882 1.005 1.00 0.44 H new ATOM 0 HA TYR A 12 -11.514 2.553 3.287 1.00 0.37 H new ATOM 0 HB2 TYR A 12 -12.496 -0.267 3.110 1.00 0.41 H new ATOM 0 HB3 TYR A 12 -13.252 1.125 3.860 1.00 0.41 H new ATOM 0 HD1 TYR A 12 -14.179 2.943 2.226 1.00 0.56 H new ATOM 0 HD2 TYR A 12 -13.343 -1.065 1.062 1.00 0.57 H new ATOM 0 HE1 TYR A 12 -15.748 3.157 0.348 1.00 0.64 H new ATOM 0 HE2 TYR A 12 -14.913 -0.856 -0.795 1.00 0.67 H new ATOM 0 HH TYR A 12 -16.258 0.515 -1.995 1.00 0.79 H new ATOM 43 N ARG A 13 -10.750 0.145 4.643 1.00 0.38 N ATOM 44 CA ARG A 13 -9.943 -0.825 5.349 1.00 0.40 C ATOM 45 C ARG A 13 -10.885 -1.661 6.200 1.00 0.54 C ATOM 46 O ARG A 13 -12.086 -1.396 6.216 1.00 0.76 O ATOM 47 CB ARG A 13 -8.920 -0.137 6.239 1.00 0.49 C ATOM 48 CG ARG A 13 -7.577 -0.842 6.296 1.00 0.61 C ATOM 49 CD ARG A 13 -6.760 -0.357 7.464 1.00 0.36 C ATOM 50 NE ARG A 13 -7.377 -0.694 8.747 1.00 0.97 N ATOM 51 CZ ARG A 13 -7.445 0.140 9.786 1.00 0.99 C ATOM 52 NH1 ARG A 13 -6.946 1.370 9.696 1.00 1.29 N ATOM 53 NH2 ARG A 13 -8.010 -0.258 10.915 1.00 1.67 N ATOM 0 H ARG A 13 -11.655 0.320 5.080 1.00 0.38 H new ATOM 0 HA ARG A 13 -9.397 -1.445 4.638 1.00 0.40 H new ATOM 0 HB2 ARG A 13 -8.769 0.882 5.881 1.00 0.49 H new ATOM 0 HB3 ARG A 13 -9.323 -0.064 7.249 1.00 0.49 H new ATOM 0 HG2 ARG A 13 -7.731 -1.918 6.377 1.00 0.61 H new ATOM 0 HG3 ARG A 13 -7.031 -0.667 5.369 1.00 0.61 H new ATOM 0 HD2 ARG A 13 -5.763 -0.796 7.415 1.00 0.36 H new ATOM 0 HD3 ARG A 13 -6.636 0.724 7.395 1.00 0.36 H new ATOM 0 HE ARG A 13 -7.780 -1.625 8.854 1.00 0.97 H new ATOM 0 HH11 ARG A 13 -6.508 1.681 8.829 1.00 1.29 H new ATOM 0 HH12 ARG A 13 -7.001 2.003 10.494 1.00 1.29 H new ATOM 0 HH21 ARG A 13 -8.392 -1.201 10.989 1.00 1.67 H new ATOM 0 HH22 ARG A 13 -8.063 0.378 11.711 1.00 1.67 H new ATOM 67 N GLY A 14 -10.373 -2.666 6.888 1.00 0.54 N ATOM 68 CA GLY A 14 -11.211 -3.369 7.844 1.00 0.68 C ATOM 69 C GLY A 14 -12.012 -4.496 7.240 1.00 0.77 C ATOM 70 O GLY A 14 -11.854 -5.663 7.596 1.00 1.39 O ATOM 0 H GLY A 14 -9.414 -3.006 6.809 1.00 0.54 H new ATOM 0 HA2 GLY A 14 -10.582 -3.769 8.639 1.00 0.68 H new ATOM 0 HA3 GLY A 14 -11.895 -2.657 8.306 1.00 0.68 H new ATOM 74 N ARG A 15 -12.875 -4.106 6.328 1.00 0.70 N ATOM 75 CA ARG A 15 -13.842 -4.975 5.656 1.00 0.80 C ATOM 76 C ARG A 15 -13.197 -6.033 4.755 1.00 0.91 C ATOM 77 O ARG A 15 -13.798 -6.446 3.764 1.00 1.43 O ATOM 78 CB ARG A 15 -14.710 -4.065 4.802 1.00 0.84 C ATOM 79 CG ARG A 15 -13.869 -3.138 3.946 1.00 0.83 C ATOM 80 CD ARG A 15 -14.559 -1.823 3.701 1.00 0.65 C ATOM 81 NE ARG A 15 -15.859 -1.989 3.064 1.00 0.82 N ATOM 82 CZ ARG A 15 -16.844 -1.102 3.142 1.00 1.18 C ATOM 83 NH1 ARG A 15 -16.707 -0.005 3.876 1.00 1.85 N ATOM 84 NH2 ARG A 15 -17.970 -1.316 2.480 1.00 1.29 N ATOM 0 H ARG A 15 -12.932 -3.137 6.015 1.00 0.70 H new ATOM 0 HA ARG A 15 -14.402 -5.525 6.413 1.00 0.80 H new ATOM 0 HB2 ARG A 15 -15.353 -4.669 4.162 1.00 0.84 H new ATOM 0 HB3 ARG A 15 -15.363 -3.475 5.445 1.00 0.84 H new ATOM 0 HG2 ARG A 15 -12.911 -2.960 4.436 1.00 0.83 H new ATOM 0 HG3 ARG A 15 -13.655 -3.619 2.992 1.00 0.83 H new ATOM 0 HD2 ARG A 15 -14.686 -1.300 4.649 1.00 0.65 H new ATOM 0 HD3 ARG A 15 -13.927 -1.195 3.073 1.00 0.65 H new ATOM 0 HE ARG A 15 -16.022 -2.839 2.525 1.00 0.82 H new ATOM 0 HH11 ARG A 15 -15.840 0.162 4.386 1.00 1.85 H new ATOM 0 HH12 ARG A 15 -17.469 0.671 3.930 1.00 1.85 H new ATOM 0 HH21 ARG A 15 -18.077 -2.158 1.914 1.00 1.29 H new ATOM 0 HH22 ARG A 15 -18.731 -0.639 2.535 1.00 1.29 H new ATOM 98 N GLY A 16 -11.984 -6.458 5.075 1.00 0.78 N ATOM 99 CA GLY A 16 -11.248 -7.335 4.182 1.00 0.88 C ATOM 100 C GLY A 16 -10.648 -6.561 3.025 1.00 0.76 C ATOM 101 O GLY A 16 -9.561 -6.885 2.558 1.00 1.05 O ATOM 0 H GLY A 16 -11.495 -6.213 5.936 1.00 0.78 H new ATOM 0 HA2 GLY A 16 -10.456 -7.840 4.735 1.00 0.88 H new ATOM 0 HA3 GLY A 16 -11.913 -8.109 3.799 1.00 0.88 H new ATOM 105 N VAL A 17 -11.386 -5.519 2.604 1.00 0.43 N ATOM 106 CA VAL A 17 -11.003 -4.558 1.558 1.00 0.29 C ATOM 107 C VAL A 17 -10.427 -5.187 0.310 1.00 0.25 C ATOM 108 O VAL A 17 -9.353 -5.784 0.303 1.00 0.33 O ATOM 109 CB VAL A 17 -10.090 -3.415 2.055 1.00 0.23 C ATOM 110 CG1 VAL A 17 -10.931 -2.187 2.296 1.00 0.27 C ATOM 111 CG2 VAL A 17 -9.319 -3.809 3.309 1.00 0.26 C ATOM 0 H VAL A 17 -12.304 -5.316 3.001 1.00 0.43 H new ATOM 0 HA VAL A 17 -11.959 -4.115 1.280 1.00 0.29 H new ATOM 0 HB VAL A 17 -9.345 -3.202 1.289 1.00 0.23 H new ATOM 0 HG11 VAL A 17 -10.296 -1.374 2.647 1.00 0.27 H new ATOM 0 HG12 VAL A 17 -11.418 -1.891 1.367 1.00 0.27 H new ATOM 0 HG13 VAL A 17 -11.688 -2.407 3.049 1.00 0.27 H new ATOM 0 HG21 VAL A 17 -8.689 -2.977 3.625 1.00 0.26 H new ATOM 0 HG22 VAL A 17 -10.021 -4.056 4.105 1.00 0.26 H new ATOM 0 HG23 VAL A 17 -8.694 -4.676 3.095 1.00 0.26 H new ATOM 121 N ALA A 18 -11.147 -4.991 -0.767 1.00 0.25 N ATOM 122 CA ALA A 18 -10.771 -5.558 -2.041 1.00 0.27 C ATOM 123 C ALA A 18 -9.699 -4.710 -2.684 1.00 0.23 C ATOM 124 O ALA A 18 -8.911 -5.201 -3.497 1.00 0.25 O ATOM 125 CB ALA A 18 -11.979 -5.692 -2.957 1.00 0.35 C ATOM 0 H ALA A 18 -12.004 -4.438 -0.787 1.00 0.25 H new ATOM 0 HA ALA A 18 -10.373 -6.559 -1.873 1.00 0.27 H new ATOM 0 HB1 ALA A 18 -11.668 -6.121 -3.909 1.00 0.35 H new ATOM 0 HB2 ALA A 18 -12.719 -6.342 -2.490 1.00 0.35 H new ATOM 0 HB3 ALA A 18 -12.417 -4.709 -3.128 1.00 0.35 H new ATOM 131 N LEU A 19 -9.675 -3.428 -2.298 1.00 0.21 N ATOM 132 CA LEU A 19 -8.686 -2.488 -2.793 1.00 0.20 C ATOM 133 C LEU A 19 -8.809 -2.386 -4.313 1.00 0.25 C ATOM 134 O LEU A 19 -9.773 -2.901 -4.885 1.00 0.49 O ATOM 135 CB LEU A 19 -7.309 -2.962 -2.313 1.00 0.20 C ATOM 136 CG LEU A 19 -6.083 -2.166 -2.732 1.00 0.28 C ATOM 137 CD1 LEU A 19 -6.220 -0.721 -2.336 1.00 0.99 C ATOM 138 CD2 LEU A 19 -4.854 -2.762 -2.092 1.00 1.14 C ATOM 0 H LEU A 19 -10.340 -3.024 -1.638 1.00 0.21 H new ATOM 0 HA LEU A 19 -8.840 -1.480 -2.407 1.00 0.20 H new ATOM 0 HB2 LEU A 19 -7.329 -2.991 -1.224 1.00 0.20 H new ATOM 0 HB3 LEU A 19 -7.172 -3.987 -2.657 1.00 0.20 H new ATOM 0 HG LEU A 19 -5.990 -2.213 -3.817 1.00 0.28 H new ATOM 0 HD11 LEU A 19 -5.331 -0.173 -2.647 1.00 0.99 H new ATOM 0 HD12 LEU A 19 -7.098 -0.293 -2.820 1.00 0.99 H new ATOM 0 HD13 LEU A 19 -6.331 -0.649 -1.254 1.00 0.99 H new ATOM 0 HD21 LEU A 19 -3.975 -2.192 -2.392 1.00 1.14 H new ATOM 0 HD22 LEU A 19 -4.956 -2.728 -1.007 1.00 1.14 H new ATOM 0 HD23 LEU A 19 -4.742 -3.797 -2.414 1.00 1.14 H new ATOM 150 N THR A 20 -7.902 -1.705 -4.978 1.00 0.37 N ATOM 151 CA THR A 20 -7.965 -1.666 -6.417 1.00 0.37 C ATOM 152 C THR A 20 -7.223 -2.871 -6.992 1.00 0.35 C ATOM 153 O THR A 20 -6.655 -3.669 -6.236 1.00 0.44 O ATOM 154 CB THR A 20 -7.411 -0.346 -6.998 1.00 0.48 C ATOM 155 OG1 THR A 20 -7.642 -0.288 -8.409 1.00 0.88 O ATOM 156 CG2 THR A 20 -5.926 -0.196 -6.712 1.00 0.45 C ATOM 0 H THR A 20 -7.132 -1.184 -4.557 1.00 0.37 H new ATOM 0 HA THR A 20 -9.014 -1.711 -6.708 1.00 0.37 H new ATOM 0 HB THR A 20 -7.937 0.476 -6.513 1.00 0.48 H new ATOM 0 HG1 THR A 20 -8.013 0.588 -8.644 1.00 0.88 H new ATOM 0 HG21 THR A 20 -5.567 0.743 -7.134 1.00 0.45 H new ATOM 0 HG22 THR A 20 -5.761 -0.196 -5.635 1.00 0.45 H new ATOM 0 HG23 THR A 20 -5.383 -1.027 -7.162 1.00 0.45 H new ATOM 164 N ASP A 21 -7.221 -3.008 -8.305 1.00 0.35 N ATOM 165 CA ASP A 21 -6.646 -4.186 -8.947 1.00 0.37 C ATOM 166 C ASP A 21 -5.147 -4.265 -8.717 1.00 0.32 C ATOM 167 O ASP A 21 -4.631 -5.299 -8.283 1.00 0.37 O ATOM 168 CB ASP A 21 -6.938 -4.196 -10.448 1.00 0.44 C ATOM 169 CG ASP A 21 -8.375 -4.554 -10.759 1.00 1.28 C ATOM 170 OD1 ASP A 21 -9.224 -3.638 -10.813 1.00 2.15 O ATOM 171 OD2 ASP A 21 -8.661 -5.754 -10.956 1.00 1.65 O ATOM 0 H ASP A 21 -7.610 -2.321 -8.951 1.00 0.35 H new ATOM 0 HA ASP A 21 -7.115 -5.059 -8.492 1.00 0.37 H new ATOM 0 HB2 ASP A 21 -6.714 -3.214 -10.865 1.00 0.44 H new ATOM 0 HB3 ASP A 21 -6.275 -4.909 -10.939 1.00 0.44 H new ATOM 176 N ASP A 22 -4.456 -3.170 -8.995 1.00 0.29 N ATOM 177 CA ASP A 22 -3.003 -3.136 -8.873 1.00 0.28 C ATOM 178 C ASP A 22 -2.571 -3.267 -7.420 1.00 0.22 C ATOM 179 O ASP A 22 -1.949 -4.253 -7.048 1.00 0.22 O ATOM 180 CB ASP A 22 -2.438 -1.836 -9.455 1.00 0.38 C ATOM 181 CG ASP A 22 -2.621 -1.725 -10.953 1.00 1.06 C ATOM 182 OD1 ASP A 22 -1.755 -2.225 -11.704 1.00 1.01 O ATOM 183 OD2 ASP A 22 -3.630 -1.136 -11.394 1.00 2.05 O ATOM 0 H ASP A 22 -4.875 -2.294 -9.306 1.00 0.29 H new ATOM 0 HA ASP A 22 -2.610 -3.982 -9.436 1.00 0.28 H new ATOM 0 HB2 ASP A 22 -2.924 -0.988 -8.972 1.00 0.38 H new ATOM 0 HB3 ASP A 22 -1.376 -1.771 -9.219 1.00 0.38 H new ATOM 188 N GLU A 23 -2.952 -2.283 -6.610 1.00 0.23 N ATOM 189 CA GLU A 23 -2.513 -2.185 -5.213 1.00 0.24 C ATOM 190 C GLU A 23 -2.595 -3.509 -4.450 1.00 0.17 C ATOM 191 O GLU A 23 -1.644 -3.895 -3.781 1.00 0.17 O ATOM 192 CB GLU A 23 -3.333 -1.132 -4.464 1.00 0.34 C ATOM 193 CG GLU A 23 -2.780 0.290 -4.557 1.00 0.60 C ATOM 194 CD GLU A 23 -2.417 0.722 -5.965 1.00 1.17 C ATOM 195 OE1 GLU A 23 -1.285 0.447 -6.402 1.00 1.66 O ATOM 196 OE2 GLU A 23 -3.276 1.318 -6.642 1.00 2.01 O ATOM 0 H GLU A 23 -3.574 -1.529 -6.900 1.00 0.23 H new ATOM 0 HA GLU A 23 -1.463 -1.897 -5.256 1.00 0.24 H new ATOM 0 HB2 GLU A 23 -4.351 -1.138 -4.854 1.00 0.34 H new ATOM 0 HB3 GLU A 23 -3.393 -1.417 -3.413 1.00 0.34 H new ATOM 0 HG2 GLU A 23 -3.519 0.983 -4.155 1.00 0.60 H new ATOM 0 HG3 GLU A 23 -1.895 0.366 -3.925 1.00 0.60 H new ATOM 203 N TYR A 24 -3.727 -4.192 -4.533 1.00 0.13 N ATOM 204 CA TYR A 24 -3.951 -5.404 -3.741 1.00 0.12 C ATOM 205 C TYR A 24 -2.998 -6.518 -4.181 1.00 0.12 C ATOM 206 O TYR A 24 -2.300 -7.119 -3.366 1.00 0.14 O ATOM 207 CB TYR A 24 -5.418 -5.822 -3.887 1.00 0.12 C ATOM 208 CG TYR A 24 -5.908 -6.843 -2.874 1.00 0.11 C ATOM 209 CD1 TYR A 24 -5.743 -8.225 -3.068 1.00 0.15 C ATOM 210 CD2 TYR A 24 -6.512 -6.419 -1.696 1.00 0.11 C ATOM 211 CE1 TYR A 24 -6.177 -9.124 -2.112 1.00 0.17 C ATOM 212 CE2 TYR A 24 -6.938 -7.319 -0.742 1.00 0.14 C ATOM 213 CZ TYR A 24 -6.842 -8.759 -1.082 1.00 0.15 C ATOM 214 OH TYR A 24 -7.186 -9.566 -0.001 1.00 0.22 O ATOM 0 H TYR A 24 -4.506 -3.933 -5.138 1.00 0.13 H new ATOM 0 HA TYR A 24 -3.744 -5.207 -2.689 1.00 0.12 H new ATOM 0 HB2 TYR A 24 -6.041 -4.931 -3.811 1.00 0.12 H new ATOM 0 HB3 TYR A 24 -5.565 -6.229 -4.888 1.00 0.12 H new ATOM 0 HD1 TYR A 24 -5.274 -8.587 -3.971 1.00 0.15 H new ATOM 0 HD2 TYR A 24 -6.651 -5.362 -1.524 1.00 0.11 H new ATOM 0 HE1 TYR A 24 -5.947 -10.171 -2.239 1.00 0.17 H new ATOM 0 HE2 TYR A 24 -7.325 -6.989 0.211 1.00 0.14 H new ATOM 0 HH TYR A 24 -7.694 -9.040 0.652 1.00 0.22 H new ATOM 224 N ASP A 25 -3.000 -6.785 -5.471 1.00 0.14 N ATOM 225 CA ASP A 25 -2.049 -7.725 -6.073 1.00 0.18 C ATOM 226 C ASP A 25 -0.606 -7.330 -5.721 1.00 0.16 C ATOM 227 O ASP A 25 0.221 -8.168 -5.334 1.00 0.17 O ATOM 228 CB ASP A 25 -2.237 -7.767 -7.590 1.00 0.25 C ATOM 229 CG ASP A 25 -1.478 -8.908 -8.237 1.00 1.04 C ATOM 230 OD1 ASP A 25 -1.773 -10.078 -7.924 1.00 1.80 O ATOM 231 OD2 ASP A 25 -0.564 -8.636 -9.045 1.00 1.58 O ATOM 0 H ASP A 25 -3.651 -6.366 -6.135 1.00 0.14 H new ATOM 0 HA ASP A 25 -2.240 -8.720 -5.670 1.00 0.18 H new ATOM 0 HB2 ASP A 25 -3.298 -7.865 -7.819 1.00 0.25 H new ATOM 0 HB3 ASP A 25 -1.904 -6.823 -8.021 1.00 0.25 H new ATOM 236 N GLU A 26 -0.327 -6.041 -5.818 1.00 0.15 N ATOM 237 CA GLU A 26 0.993 -5.500 -5.520 1.00 0.15 C ATOM 238 C GLU A 26 1.321 -5.592 -4.022 1.00 0.12 C ATOM 239 O GLU A 26 2.489 -5.642 -3.638 1.00 0.12 O ATOM 240 CB GLU A 26 1.071 -4.049 -5.988 1.00 0.22 C ATOM 241 CG GLU A 26 1.032 -3.875 -7.506 1.00 0.50 C ATOM 242 CD GLU A 26 2.247 -4.448 -8.213 1.00 0.65 C ATOM 243 OE1 GLU A 26 3.257 -3.725 -8.353 1.00 0.59 O ATOM 244 OE2 GLU A 26 2.210 -5.635 -8.608 1.00 1.27 O ATOM 0 H GLU A 26 -1.008 -5.338 -6.105 1.00 0.15 H new ATOM 0 HA GLU A 26 1.731 -6.098 -6.054 1.00 0.15 H new ATOM 0 HB2 GLU A 26 0.243 -3.493 -5.549 1.00 0.22 H new ATOM 0 HB3 GLU A 26 1.991 -3.605 -5.607 1.00 0.22 H new ATOM 0 HG2 GLU A 26 0.135 -4.355 -7.896 1.00 0.50 H new ATOM 0 HG3 GLU A 26 0.952 -2.813 -7.740 1.00 0.50 H new ATOM 251 N TRP A 27 0.292 -5.607 -3.178 1.00 0.11 N ATOM 252 CA TRP A 27 0.472 -5.799 -1.739 1.00 0.10 C ATOM 253 C TRP A 27 1.101 -7.149 -1.463 1.00 0.10 C ATOM 254 O TRP A 27 1.951 -7.287 -0.578 1.00 0.11 O ATOM 255 CB TRP A 27 -0.872 -5.683 -1.008 1.00 0.10 C ATOM 256 CG TRP A 27 -0.986 -6.523 0.239 1.00 0.10 C ATOM 257 CD1 TRP A 27 -0.359 -6.334 1.444 1.00 0.10 C ATOM 258 CD2 TRP A 27 -1.794 -7.695 0.393 1.00 0.12 C ATOM 259 NE1 TRP A 27 -0.742 -7.309 2.331 1.00 0.11 N ATOM 260 CE2 TRP A 27 -1.621 -8.151 1.709 1.00 0.12 C ATOM 261 CE3 TRP A 27 -2.652 -8.399 -0.455 1.00 0.13 C ATOM 262 CZ2 TRP A 27 -2.274 -9.272 2.198 1.00 0.15 C ATOM 263 CZ3 TRP A 27 -3.300 -9.518 0.032 1.00 0.16 C ATOM 264 CH2 TRP A 27 -3.110 -9.942 1.350 1.00 0.16 C ATOM 0 H TRP A 27 -0.679 -5.488 -3.466 1.00 0.11 H new ATOM 0 HA TRP A 27 1.137 -5.019 -1.369 1.00 0.10 H new ATOM 0 HB2 TRP A 27 -1.037 -4.639 -0.742 1.00 0.10 H new ATOM 0 HB3 TRP A 27 -1.669 -5.967 -1.695 1.00 0.10 H new ATOM 0 HD1 TRP A 27 0.334 -5.535 1.663 1.00 0.10 H new ATOM 0 HE1 TRP A 27 -0.423 -7.392 3.296 1.00 0.11 H new ATOM 0 HE3 TRP A 27 -2.806 -8.074 -1.473 1.00 0.13 H new ATOM 0 HZ2 TRP A 27 -2.127 -9.604 3.215 1.00 0.15 H new ATOM 0 HZ3 TRP A 27 -3.963 -10.073 -0.615 1.00 0.16 H new ATOM 0 HH2 TRP A 27 -3.634 -10.817 1.705 1.00 0.16 H new ATOM 275 N ARG A 28 0.689 -8.138 -2.234 1.00 0.12 N ATOM 276 CA ARG A 28 1.229 -9.474 -2.099 1.00 0.13 C ATOM 277 C ARG A 28 2.719 -9.455 -2.437 1.00 0.13 C ATOM 278 O ARG A 28 3.506 -10.234 -1.895 1.00 0.15 O ATOM 279 CB ARG A 28 0.465 -10.445 -3.001 1.00 0.16 C ATOM 280 CG ARG A 28 -1.042 -10.379 -2.805 1.00 0.19 C ATOM 281 CD ARG A 28 -1.744 -11.571 -3.433 1.00 0.53 C ATOM 282 NE ARG A 28 -1.619 -11.588 -4.889 1.00 1.32 N ATOM 283 CZ ARG A 28 -1.704 -12.692 -5.629 1.00 1.90 C ATOM 284 NH1 ARG A 28 -1.888 -13.872 -5.046 1.00 1.88 N ATOM 285 NH2 ARG A 28 -1.611 -12.612 -6.952 1.00 2.63 N ATOM 0 H ARG A 28 -0.019 -8.039 -2.961 1.00 0.12 H new ATOM 0 HA ARG A 28 1.112 -9.816 -1.071 1.00 0.13 H new ATOM 0 HB2 ARG A 28 0.700 -10.226 -4.043 1.00 0.16 H new ATOM 0 HB3 ARG A 28 0.807 -11.461 -2.804 1.00 0.16 H new ATOM 0 HG2 ARG A 28 -1.269 -10.343 -1.739 1.00 0.19 H new ATOM 0 HG3 ARG A 28 -1.426 -9.458 -3.244 1.00 0.19 H new ATOM 0 HD2 ARG A 28 -1.327 -12.491 -3.025 1.00 0.53 H new ATOM 0 HD3 ARG A 28 -2.800 -11.552 -3.162 1.00 0.53 H new ATOM 0 HE ARG A 28 -1.457 -10.702 -5.367 1.00 1.32 H new ATOM 0 HH11 ARG A 28 -1.964 -13.933 -4.031 1.00 1.88 H new ATOM 0 HH12 ARG A 28 -1.953 -14.717 -5.614 1.00 1.88 H new ATOM 0 HH21 ARG A 28 -1.475 -11.706 -7.400 1.00 2.63 H new ATOM 0 HH22 ARG A 28 -1.676 -13.457 -7.520 1.00 2.63 H new ATOM 299 N GLU A 29 3.104 -8.538 -3.323 1.00 0.13 N ATOM 300 CA GLU A 29 4.517 -8.302 -3.610 1.00 0.14 C ATOM 301 C GLU A 29 5.180 -7.523 -2.471 1.00 0.12 C ATOM 302 O GLU A 29 6.320 -7.798 -2.107 1.00 0.13 O ATOM 303 CB GLU A 29 4.693 -7.547 -4.927 1.00 0.17 C ATOM 304 CG GLU A 29 6.148 -7.335 -5.309 1.00 0.22 C ATOM 305 CD GLU A 29 6.308 -6.682 -6.662 1.00 0.62 C ATOM 306 OE1 GLU A 29 5.855 -7.268 -7.668 1.00 0.84 O ATOM 307 OE2 GLU A 29 6.871 -5.568 -6.724 1.00 0.97 O ATOM 0 H GLU A 29 2.461 -7.949 -3.852 1.00 0.13 H new ATOM 0 HA GLU A 29 5.001 -9.274 -3.701 1.00 0.14 H new ATOM 0 HB2 GLU A 29 4.192 -8.098 -5.723 1.00 0.17 H new ATOM 0 HB3 GLU A 29 4.200 -6.578 -4.851 1.00 0.17 H new ATOM 0 HG2 GLU A 29 6.631 -6.717 -4.553 1.00 0.22 H new ATOM 0 HG3 GLU A 29 6.662 -8.296 -5.311 1.00 0.22 H new ATOM 314 N HIS A 30 4.465 -6.534 -1.928 1.00 0.12 N ATOM 315 CA HIS A 30 4.937 -5.783 -0.757 1.00 0.11 C ATOM 316 C HIS A 30 5.359 -6.741 0.350 1.00 0.12 C ATOM 317 O HIS A 30 6.384 -6.530 1.004 1.00 0.13 O ATOM 318 CB HIS A 30 3.838 -4.827 -0.248 1.00 0.11 C ATOM 319 CG HIS A 30 4.196 -4.040 0.992 1.00 0.11 C ATOM 320 ND1 HIS A 30 3.256 -3.614 1.906 1.00 0.11 N ATOM 321 CD2 HIS A 30 5.384 -3.573 1.448 1.00 0.14 C ATOM 322 CE1 HIS A 30 3.851 -2.919 2.863 1.00 0.11 C ATOM 323 NE2 HIS A 30 5.141 -2.883 2.608 1.00 0.13 N ATOM 0 H HIS A 30 3.556 -6.233 -2.280 1.00 0.12 H new ATOM 0 HA HIS A 30 5.801 -5.189 -1.053 1.00 0.11 H new ATOM 0 HB2 HIS A 30 3.590 -4.126 -1.045 1.00 0.11 H new ATOM 0 HB3 HIS A 30 2.939 -5.408 -0.044 1.00 0.11 H new ATOM 0 HD2 HIS A 30 6.348 -3.718 0.982 1.00 0.14 H new ATOM 0 HE1 HIS A 30 3.361 -2.460 3.709 1.00 0.11 H new ATOM 0 HE2 HIS A 30 5.846 -2.418 3.180 1.00 0.13 H new ATOM 332 N ASN A 31 4.553 -7.773 0.555 1.00 0.14 N ATOM 333 CA ASN A 31 4.863 -8.826 1.512 1.00 0.17 C ATOM 334 C ASN A 31 6.242 -9.414 1.222 1.00 0.16 C ATOM 335 O ASN A 31 7.132 -9.402 2.076 1.00 0.18 O ATOM 336 CB ASN A 31 3.784 -9.915 1.439 1.00 0.23 C ATOM 337 CG ASN A 31 3.841 -10.896 2.595 1.00 0.88 C ATOM 338 OD1 ASN A 31 4.902 -11.178 3.141 1.00 1.78 O ATOM 339 ND2 ASN A 31 2.690 -11.422 2.975 1.00 1.54 N ATOM 0 H ASN A 31 3.668 -7.904 0.064 1.00 0.14 H new ATOM 0 HA ASN A 31 4.877 -8.408 2.519 1.00 0.17 H new ATOM 0 HB2 ASN A 31 2.802 -9.443 1.421 1.00 0.23 H new ATOM 0 HB3 ASN A 31 3.892 -10.462 0.502 1.00 0.23 H new ATOM 0 HD21 ASN A 31 2.664 -12.088 3.748 1.00 1.54 H new ATOM 0 HD22 ASN A 31 1.828 -11.162 2.496 1.00 1.54 H new ATOM 346 N ALA A 32 6.404 -9.894 0.002 1.00 0.17 N ATOM 347 CA ALA A 32 7.660 -10.477 -0.453 1.00 0.18 C ATOM 348 C ALA A 32 8.831 -9.502 -0.328 1.00 0.16 C ATOM 349 O ALA A 32 9.809 -9.775 0.372 1.00 0.19 O ATOM 350 CB ALA A 32 7.521 -10.926 -1.892 1.00 0.19 C ATOM 0 H ALA A 32 5.669 -9.892 -0.705 1.00 0.17 H new ATOM 0 HA ALA A 32 7.876 -11.331 0.189 1.00 0.18 H new ATOM 0 HB1 ALA A 32 8.461 -11.361 -2.230 1.00 0.19 H new ATOM 0 HB2 ALA A 32 6.729 -11.671 -1.966 1.00 0.19 H new ATOM 0 HB3 ALA A 32 7.272 -10.069 -2.518 1.00 0.19 H new ATOM 356 N SER A 33 8.720 -8.369 -1.011 1.00 0.13 N ATOM 357 CA SER A 33 9.826 -7.425 -1.147 1.00 0.14 C ATOM 358 C SER A 33 10.335 -6.897 0.199 1.00 0.18 C ATOM 359 O SER A 33 11.542 -6.755 0.386 1.00 0.27 O ATOM 360 CB SER A 33 9.408 -6.258 -2.047 1.00 0.13 C ATOM 361 OG SER A 33 10.472 -5.344 -2.235 1.00 0.17 O ATOM 0 H SER A 33 7.865 -8.078 -1.485 1.00 0.13 H new ATOM 0 HA SER A 33 10.653 -7.970 -1.602 1.00 0.14 H new ATOM 0 HB2 SER A 33 9.080 -6.641 -3.013 1.00 0.13 H new ATOM 0 HB3 SER A 33 8.557 -5.741 -1.604 1.00 0.13 H new ATOM 0 HG SER A 33 10.896 -5.510 -3.103 1.00 0.17 H new ATOM 367 N ARG A 34 9.436 -6.616 1.135 1.00 0.19 N ATOM 368 CA ARG A 34 9.847 -6.028 2.408 1.00 0.23 C ATOM 369 C ARG A 34 10.079 -7.091 3.482 1.00 0.26 C ATOM 370 O ARG A 34 10.479 -6.773 4.605 1.00 0.31 O ATOM 371 CB ARG A 34 8.839 -4.977 2.864 1.00 0.22 C ATOM 372 CG ARG A 34 8.820 -3.741 1.968 1.00 0.23 C ATOM 373 CD ARG A 34 10.157 -3.013 1.957 1.00 0.27 C ATOM 374 NE ARG A 34 10.504 -2.454 3.262 1.00 0.34 N ATOM 375 CZ ARG A 34 11.657 -1.838 3.525 1.00 0.71 C ATOM 376 NH1 ARG A 34 12.589 -1.724 2.584 1.00 1.04 N ATOM 377 NH2 ARG A 34 11.874 -1.337 4.733 1.00 0.86 N ATOM 0 H ARG A 34 8.434 -6.782 1.042 1.00 0.19 H new ATOM 0 HA ARG A 34 10.805 -5.532 2.250 1.00 0.23 H new ATOM 0 HB2 ARG A 34 7.843 -5.420 2.883 1.00 0.22 H new ATOM 0 HB3 ARG A 34 9.073 -4.675 3.885 1.00 0.22 H new ATOM 0 HG2 ARG A 34 8.562 -4.036 0.951 1.00 0.23 H new ATOM 0 HG3 ARG A 34 8.041 -3.060 2.310 1.00 0.23 H new ATOM 0 HD2 ARG A 34 10.940 -3.703 1.642 1.00 0.27 H new ATOM 0 HD3 ARG A 34 10.124 -2.211 1.220 1.00 0.27 H new ATOM 0 HE ARG A 34 9.823 -2.540 4.017 1.00 0.34 H new ATOM 0 HH11 ARG A 34 12.424 -2.109 1.654 1.00 1.04 H new ATOM 0 HH12 ARG A 34 13.469 -1.252 2.792 1.00 1.04 H new ATOM 0 HH21 ARG A 34 11.160 -1.424 5.457 1.00 0.86 H new ATOM 0 HH22 ARG A 34 12.754 -0.865 4.939 1.00 0.86 H new ATOM 391 N LYS A 35 9.809 -8.352 3.132 1.00 0.26 N ATOM 392 CA LYS A 35 10.122 -9.502 3.992 1.00 0.30 C ATOM 393 C LYS A 35 9.308 -9.469 5.278 1.00 0.34 C ATOM 394 O LYS A 35 9.684 -10.061 6.289 1.00 0.58 O ATOM 395 CB LYS A 35 11.617 -9.590 4.330 1.00 0.33 C ATOM 396 CG LYS A 35 12.505 -10.004 3.165 1.00 0.54 C ATOM 397 CD LYS A 35 12.833 -8.832 2.261 1.00 1.10 C ATOM 398 CE LYS A 35 13.722 -9.248 1.104 1.00 0.95 C ATOM 399 NZ LYS A 35 14.145 -8.082 0.287 1.00 1.27 N ATOM 0 H LYS A 35 9.369 -8.606 2.248 1.00 0.26 H new ATOM 0 HA LYS A 35 9.853 -10.391 3.421 1.00 0.30 H new ATOM 0 HB2 LYS A 35 11.951 -8.620 4.698 1.00 0.33 H new ATOM 0 HB3 LYS A 35 11.751 -10.303 5.144 1.00 0.33 H new ATOM 0 HG2 LYS A 35 13.429 -10.437 3.549 1.00 0.54 H new ATOM 0 HG3 LYS A 35 12.006 -10.781 2.586 1.00 0.54 H new ATOM 0 HD2 LYS A 35 11.910 -8.401 1.874 1.00 1.10 H new ATOM 0 HD3 LYS A 35 13.330 -8.053 2.840 1.00 1.10 H new ATOM 0 HE2 LYS A 35 14.603 -9.761 1.489 1.00 0.95 H new ATOM 0 HE3 LYS A 35 13.189 -9.960 0.473 1.00 0.95 H new ATOM 0 HZ1 LYS A 35 14.466 -8.410 -0.646 1.00 1.27 H new ATOM 0 HZ2 LYS A 35 13.342 -7.432 0.168 1.00 1.27 H new ATOM 0 HZ3 LYS A 35 14.924 -7.587 0.766 1.00 1.27 H new ATOM 413 N LEU A 36 8.197 -8.764 5.234 1.00 0.26 N ATOM 414 CA LEU A 36 7.288 -8.694 6.357 1.00 0.31 C ATOM 415 C LEU A 36 6.222 -9.770 6.213 1.00 0.34 C ATOM 416 O LEU A 36 6.386 -10.724 5.452 1.00 0.36 O ATOM 417 CB LEU A 36 6.663 -7.287 6.432 1.00 0.32 C ATOM 418 CG LEU A 36 6.669 -6.512 5.119 1.00 0.26 C ATOM 419 CD1 LEU A 36 5.736 -7.161 4.128 1.00 0.26 C ATOM 420 CD2 LEU A 36 6.283 -5.066 5.339 1.00 0.30 C ATOM 0 H LEU A 36 7.900 -8.225 4.421 1.00 0.26 H new ATOM 0 HA LEU A 36 7.828 -8.872 7.287 1.00 0.31 H new ATOM 0 HB2 LEU A 36 5.633 -7.380 6.777 1.00 0.32 H new ATOM 0 HB3 LEU A 36 7.199 -6.706 7.182 1.00 0.32 H new ATOM 0 HG LEU A 36 7.682 -6.532 4.716 1.00 0.26 H new ATOM 0 HD11 LEU A 36 5.749 -6.599 3.194 1.00 0.26 H new ATOM 0 HD12 LEU A 36 6.060 -8.185 3.940 1.00 0.26 H new ATOM 0 HD13 LEU A 36 4.724 -7.169 4.533 1.00 0.26 H new ATOM 0 HD21 LEU A 36 6.296 -4.537 4.386 1.00 0.30 H new ATOM 0 HD22 LEU A 36 5.282 -5.018 5.768 1.00 0.30 H new ATOM 0 HD23 LEU A 36 6.993 -4.600 6.022 1.00 0.30 H new ATOM 432 N ASP A 37 5.152 -9.617 6.952 1.00 0.41 N ATOM 433 CA ASP A 37 4.040 -10.549 6.909 1.00 0.47 C ATOM 434 C ASP A 37 2.776 -9.763 7.181 1.00 0.51 C ATOM 435 O ASP A 37 1.924 -10.143 7.980 1.00 1.00 O ATOM 436 CB ASP A 37 4.229 -11.671 7.936 1.00 0.54 C ATOM 437 CG ASP A 37 3.196 -12.773 7.795 1.00 0.68 C ATOM 438 OD1 ASP A 37 3.132 -13.398 6.716 1.00 0.73 O ATOM 439 OD2 ASP A 37 2.458 -13.033 8.769 1.00 0.85 O ATOM 0 H ASP A 37 5.022 -8.843 7.603 1.00 0.41 H new ATOM 0 HA ASP A 37 3.980 -11.027 5.931 1.00 0.47 H new ATOM 0 HB2 ASP A 37 5.226 -12.097 7.824 1.00 0.54 H new ATOM 0 HB3 ASP A 37 4.173 -11.252 8.941 1.00 0.54 H new ATOM 444 N LEU A 38 2.696 -8.633 6.509 1.00 0.26 N ATOM 445 CA LEU A 38 1.631 -7.677 6.724 1.00 0.26 C ATOM 446 C LEU A 38 0.329 -8.185 6.120 1.00 0.26 C ATOM 447 O LEU A 38 0.337 -8.993 5.188 1.00 0.32 O ATOM 448 CB LEU A 38 2.022 -6.331 6.097 1.00 0.32 C ATOM 449 CG LEU A 38 1.532 -6.090 4.681 1.00 0.25 C ATOM 450 CD1 LEU A 38 1.587 -4.613 4.382 1.00 0.26 C ATOM 451 CD2 LEU A 38 2.364 -6.873 3.676 1.00 0.34 C ATOM 0 H LEU A 38 3.370 -8.352 5.797 1.00 0.26 H new ATOM 0 HA LEU A 38 1.479 -7.545 7.795 1.00 0.26 H new ATOM 0 HB2 LEU A 38 1.641 -5.532 6.733 1.00 0.32 H new ATOM 0 HB3 LEU A 38 3.109 -6.252 6.103 1.00 0.32 H new ATOM 0 HG LEU A 38 0.502 -6.438 4.597 1.00 0.25 H new ATOM 0 HD11 LEU A 38 1.236 -4.434 3.366 1.00 0.26 H new ATOM 0 HD12 LEU A 38 0.951 -4.075 5.085 1.00 0.26 H new ATOM 0 HD13 LEU A 38 2.614 -4.260 4.479 1.00 0.26 H new ATOM 0 HD21 LEU A 38 1.992 -6.683 2.669 1.00 0.34 H new ATOM 0 HD22 LEU A 38 3.406 -6.560 3.743 1.00 0.34 H new ATOM 0 HD23 LEU A 38 2.291 -7.938 3.895 1.00 0.34 H new ATOM 463 N SER A 39 -0.781 -7.712 6.647 1.00 0.22 N ATOM 464 CA SER A 39 -2.075 -8.021 6.080 1.00 0.21 C ATOM 465 C SER A 39 -2.554 -6.803 5.306 1.00 0.17 C ATOM 466 O SER A 39 -2.104 -5.688 5.576 1.00 0.25 O ATOM 467 CB SER A 39 -3.065 -8.410 7.174 1.00 0.29 C ATOM 468 OG SER A 39 -2.537 -9.443 7.994 1.00 0.64 O ATOM 0 H SER A 39 -0.812 -7.110 7.470 1.00 0.22 H new ATOM 0 HA SER A 39 -1.997 -8.874 5.406 1.00 0.21 H new ATOM 0 HB2 SER A 39 -3.298 -7.538 7.786 1.00 0.29 H new ATOM 0 HB3 SER A 39 -4.000 -8.741 6.722 1.00 0.29 H new ATOM 0 HG SER A 39 -3.188 -9.674 8.689 1.00 0.64 H new ATOM 474 N VAL A 40 -3.426 -7.023 4.331 1.00 0.18 N ATOM 475 CA VAL A 40 -3.817 -5.985 3.389 1.00 0.15 C ATOM 476 C VAL A 40 -4.168 -4.654 4.043 1.00 0.15 C ATOM 477 O VAL A 40 -3.736 -3.622 3.555 1.00 0.13 O ATOM 478 CB VAL A 40 -4.971 -6.459 2.475 1.00 0.17 C ATOM 479 CG1 VAL A 40 -6.341 -5.959 2.931 1.00 0.19 C ATOM 480 CG2 VAL A 40 -4.685 -6.040 1.057 1.00 0.17 C ATOM 0 H VAL A 40 -3.880 -7.922 4.172 1.00 0.18 H new ATOM 0 HA VAL A 40 -2.931 -5.802 2.781 1.00 0.15 H new ATOM 0 HB VAL A 40 -5.018 -7.546 2.537 1.00 0.17 H new ATOM 0 HG11 VAL A 40 -7.108 -6.326 2.249 1.00 0.19 H new ATOM 0 HG12 VAL A 40 -6.546 -6.325 3.937 1.00 0.19 H new ATOM 0 HG13 VAL A 40 -6.348 -4.869 2.933 1.00 0.19 H new ATOM 0 HG21 VAL A 40 -5.496 -6.372 0.409 1.00 0.17 H new ATOM 0 HG22 VAL A 40 -4.603 -4.954 1.008 1.00 0.17 H new ATOM 0 HG23 VAL A 40 -3.749 -6.490 0.726 1.00 0.17 H new ATOM 490 N GLU A 41 -4.921 -4.670 5.141 1.00 0.17 N ATOM 491 CA GLU A 41 -5.331 -3.427 5.790 1.00 0.17 C ATOM 492 C GLU A 41 -4.134 -2.498 5.987 1.00 0.14 C ATOM 493 O GLU A 41 -4.181 -1.328 5.613 1.00 0.14 O ATOM 494 CB GLU A 41 -5.967 -3.697 7.146 1.00 0.24 C ATOM 495 CG GLU A 41 -7.193 -4.585 7.101 1.00 0.30 C ATOM 496 CD GLU A 41 -7.909 -4.599 8.431 1.00 0.46 C ATOM 497 OE1 GLU A 41 -8.294 -3.508 8.903 1.00 0.82 O ATOM 498 OE2 GLU A 41 -8.086 -5.687 9.012 1.00 0.65 O ATOM 0 H GLU A 41 -5.256 -5.519 5.596 1.00 0.17 H new ATOM 0 HA GLU A 41 -6.063 -2.951 5.138 1.00 0.17 H new ATOM 0 HB2 GLU A 41 -5.224 -4.159 7.796 1.00 0.24 H new ATOM 0 HB3 GLU A 41 -6.241 -2.745 7.601 1.00 0.24 H new ATOM 0 HG2 GLU A 41 -7.871 -4.233 6.324 1.00 0.30 H new ATOM 0 HG3 GLU A 41 -6.900 -5.600 6.832 1.00 0.30 H new ATOM 505 N ASP A 42 -3.067 -3.035 6.573 1.00 0.15 N ATOM 506 CA ASP A 42 -1.841 -2.280 6.803 1.00 0.16 C ATOM 507 C ASP A 42 -1.252 -1.747 5.503 1.00 0.13 C ATOM 508 O ASP A 42 -0.747 -0.624 5.468 1.00 0.16 O ATOM 509 CB ASP A 42 -0.810 -3.143 7.528 1.00 0.23 C ATOM 510 CG ASP A 42 -1.127 -3.316 8.999 1.00 0.43 C ATOM 511 OD1 ASP A 42 -1.898 -4.240 9.343 1.00 0.57 O ATOM 512 OD2 ASP A 42 -0.617 -2.522 9.819 1.00 0.66 O ATOM 0 H ASP A 42 -3.029 -4.000 6.900 1.00 0.15 H new ATOM 0 HA ASP A 42 -2.098 -1.425 7.429 1.00 0.16 H new ATOM 0 HB2 ASP A 42 -0.763 -4.123 7.053 1.00 0.23 H new ATOM 0 HB3 ASP A 42 0.176 -2.690 7.423 1.00 0.23 H new ATOM 517 N PHE A 43 -1.320 -2.541 4.435 1.00 0.11 N ATOM 518 CA PHE A 43 -0.873 -2.073 3.126 1.00 0.10 C ATOM 519 C PHE A 43 -1.695 -0.875 2.731 1.00 0.08 C ATOM 520 O PHE A 43 -1.170 0.165 2.334 1.00 0.09 O ATOM 521 CB PHE A 43 -1.026 -3.148 2.038 1.00 0.12 C ATOM 522 CG PHE A 43 -0.720 -2.639 0.635 1.00 0.11 C ATOM 523 CD1 PHE A 43 -1.722 -2.096 -0.153 1.00 0.20 C ATOM 524 CD2 PHE A 43 0.566 -2.726 0.087 1.00 0.11 C ATOM 525 CE1 PHE A 43 -1.453 -1.651 -1.437 1.00 0.23 C ATOM 526 CE2 PHE A 43 0.825 -2.292 -1.188 1.00 0.13 C ATOM 527 CZ PHE A 43 -0.148 -1.663 -1.912 1.00 0.17 C ATOM 0 H PHE A 43 -1.675 -3.497 4.450 1.00 0.11 H new ATOM 0 HA PHE A 43 0.185 -1.824 3.208 1.00 0.10 H new ATOM 0 HB2 PHE A 43 -0.362 -3.982 2.266 1.00 0.12 H new ATOM 0 HB3 PHE A 43 -2.045 -3.535 2.062 1.00 0.12 H new ATOM 0 HD1 PHE A 43 -2.725 -2.019 0.239 1.00 0.20 H new ATOM 0 HD2 PHE A 43 1.368 -3.142 0.679 1.00 0.11 H new ATOM 0 HE1 PHE A 43 -2.255 -1.296 -2.067 1.00 0.23 H new ATOM 0 HE2 PHE A 43 1.802 -2.448 -1.621 1.00 0.13 H new ATOM 0 HZ PHE A 43 0.096 -1.179 -2.846 1.00 0.17 H new ATOM 537 N LEU A 44 -3.000 -1.056 2.844 1.00 0.09 N ATOM 538 CA LEU A 44 -3.966 -0.072 2.408 1.00 0.11 C ATOM 539 C LEU A 44 -3.766 1.224 3.170 1.00 0.11 C ATOM 540 O LEU A 44 -3.965 2.299 2.620 1.00 0.14 O ATOM 541 CB LEU A 44 -5.406 -0.604 2.589 1.00 0.13 C ATOM 542 CG LEU A 44 -5.656 -2.031 2.108 1.00 0.14 C ATOM 543 CD1 LEU A 44 -7.066 -2.194 1.616 1.00 0.17 C ATOM 544 CD2 LEU A 44 -4.709 -2.424 1.019 1.00 0.15 C ATOM 0 H LEU A 44 -3.418 -1.896 3.244 1.00 0.09 H new ATOM 0 HA LEU A 44 -3.814 0.124 1.347 1.00 0.11 H new ATOM 0 HB2 LEU A 44 -5.663 -0.548 3.647 1.00 0.13 H new ATOM 0 HB3 LEU A 44 -6.088 0.062 2.060 1.00 0.13 H new ATOM 0 HG LEU A 44 -5.492 -2.684 2.965 1.00 0.14 H new ATOM 0 HD11 LEU A 44 -7.218 -3.220 1.279 1.00 0.17 H new ATOM 0 HD12 LEU A 44 -7.762 -1.971 2.425 1.00 0.17 H new ATOM 0 HD13 LEU A 44 -7.243 -1.510 0.786 1.00 0.17 H new ATOM 0 HD21 LEU A 44 -4.920 -3.446 0.705 1.00 0.15 H new ATOM 0 HD22 LEU A 44 -4.831 -1.751 0.170 1.00 0.15 H new ATOM 0 HD23 LEU A 44 -3.685 -2.362 1.387 1.00 0.15 H new ATOM 556 N MET A 45 -3.349 1.105 4.419 1.00 0.12 N ATOM 557 CA MET A 45 -3.008 2.271 5.230 1.00 0.14 C ATOM 558 C MET A 45 -1.801 2.994 4.643 1.00 0.11 C ATOM 559 O MET A 45 -1.871 4.181 4.336 1.00 0.12 O ATOM 560 CB MET A 45 -2.705 1.866 6.675 1.00 0.20 C ATOM 561 CG MET A 45 -3.865 1.177 7.363 1.00 0.32 C ATOM 562 SD MET A 45 -3.519 0.749 9.082 1.00 0.55 S ATOM 563 CE MET A 45 -3.382 2.375 9.819 1.00 1.27 C ATOM 0 H MET A 45 -3.237 0.212 4.898 1.00 0.12 H new ATOM 0 HA MET A 45 -3.868 2.940 5.226 1.00 0.14 H new ATOM 0 HB2 MET A 45 -1.840 1.202 6.685 1.00 0.20 H new ATOM 0 HB3 MET A 45 -2.431 2.755 7.244 1.00 0.20 H new ATOM 0 HG2 MET A 45 -4.739 1.827 7.326 1.00 0.32 H new ATOM 0 HG3 MET A 45 -4.119 0.270 6.813 1.00 0.32 H new ATOM 0 HE1 MET A 45 -2.408 2.476 10.298 1.00 1.27 H new ATOM 0 HE2 MET A 45 -3.487 3.135 9.045 1.00 1.27 H new ATOM 0 HE3 MET A 45 -4.168 2.504 10.563 1.00 1.27 H new ATOM 573 N LEU A 46 -0.698 2.264 4.500 1.00 0.10 N ATOM 574 CA LEU A 46 0.537 2.806 3.926 1.00 0.11 C ATOM 575 C LEU A 46 0.281 3.517 2.599 1.00 0.12 C ATOM 576 O LEU A 46 0.600 4.697 2.442 1.00 0.14 O ATOM 577 CB LEU A 46 1.558 1.687 3.698 1.00 0.12 C ATOM 578 CG LEU A 46 1.875 0.816 4.912 1.00 0.12 C ATOM 579 CD1 LEU A 46 3.044 -0.101 4.623 1.00 0.14 C ATOM 580 CD2 LEU A 46 2.170 1.678 6.118 1.00 0.12 C ATOM 0 H LEU A 46 -0.632 1.284 4.776 1.00 0.10 H new ATOM 0 HA LEU A 46 0.929 3.530 4.640 1.00 0.11 H new ATOM 0 HB2 LEU A 46 1.190 1.043 2.899 1.00 0.12 H new ATOM 0 HB3 LEU A 46 2.486 2.135 3.344 1.00 0.12 H new ATOM 0 HG LEU A 46 1.001 0.201 5.128 1.00 0.12 H new ATOM 0 HD11 LEU A 46 3.253 -0.712 5.501 1.00 0.14 H new ATOM 0 HD12 LEU A 46 2.799 -0.748 3.780 1.00 0.14 H new ATOM 0 HD13 LEU A 46 3.923 0.496 4.379 1.00 0.14 H new ATOM 0 HD21 LEU A 46 2.394 1.042 6.974 1.00 0.12 H new ATOM 0 HD22 LEU A 46 3.027 2.317 5.907 1.00 0.12 H new ATOM 0 HD23 LEU A 46 1.302 2.298 6.344 1.00 0.12 H new ATOM 592 N ARG A 47 -0.304 2.790 1.655 1.00 0.12 N ATOM 593 CA ARG A 47 -0.567 3.328 0.325 1.00 0.15 C ATOM 594 C ARG A 47 -1.510 4.526 0.403 1.00 0.15 C ATOM 595 O ARG A 47 -1.317 5.524 -0.295 1.00 0.20 O ATOM 596 CB ARG A 47 -1.135 2.239 -0.594 1.00 0.25 C ATOM 597 CG ARG A 47 -2.352 1.545 -0.041 1.00 0.91 C ATOM 598 CD ARG A 47 -3.570 1.770 -0.907 1.00 0.40 C ATOM 599 NE ARG A 47 -4.799 1.594 -0.138 1.00 1.16 N ATOM 600 CZ ARG A 47 -6.017 1.858 -0.589 1.00 1.30 C ATOM 601 NH1 ARG A 47 -6.201 2.357 -1.799 1.00 1.51 N ATOM 602 NH2 ARG A 47 -7.065 1.630 0.184 1.00 2.08 N ATOM 0 H ARG A 47 -0.606 1.825 1.786 1.00 0.12 H new ATOM 0 HA ARG A 47 0.376 3.671 -0.100 1.00 0.15 H new ATOM 0 HB2 ARG A 47 -1.389 2.685 -1.555 1.00 0.25 H new ATOM 0 HB3 ARG A 47 -0.360 1.496 -0.782 1.00 0.25 H new ATOM 0 HG2 ARG A 47 -2.156 0.476 0.039 1.00 0.91 H new ATOM 0 HG3 ARG A 47 -2.551 1.909 0.967 1.00 0.91 H new ATOM 0 HD2 ARG A 47 -3.541 2.775 -1.328 1.00 0.40 H new ATOM 0 HD3 ARG A 47 -3.558 1.073 -1.745 1.00 0.40 H new ATOM 0 HE ARG A 47 -4.714 1.242 0.816 1.00 1.16 H new ATOM 0 HH11 ARG A 47 -5.399 2.544 -2.401 1.00 1.51 H new ATOM 0 HH12 ARG A 47 -7.145 2.555 -2.131 1.00 1.51 H new ATOM 0 HH21 ARG A 47 -6.934 1.253 1.123 1.00 2.08 H new ATOM 0 HH22 ARG A 47 -8.005 1.831 -0.158 1.00 2.08 H new ATOM 616 N HIS A 48 -2.547 4.393 1.227 1.00 0.14 N ATOM 617 CA HIS A 48 -3.442 5.496 1.539 1.00 0.15 C ATOM 618 C HIS A 48 -2.660 6.742 1.890 1.00 0.17 C ATOM 619 O HIS A 48 -2.643 7.692 1.124 1.00 0.20 O ATOM 620 CB HIS A 48 -4.348 5.126 2.714 1.00 0.18 C ATOM 621 CG HIS A 48 -5.776 4.902 2.346 1.00 0.21 C ATOM 622 ND1 HIS A 48 -6.816 5.008 3.240 1.00 0.41 N ATOM 623 CD2 HIS A 48 -6.317 4.505 1.187 1.00 0.21 C ATOM 624 CE1 HIS A 48 -7.943 4.674 2.640 1.00 0.47 C ATOM 625 NE2 HIS A 48 -7.672 4.354 1.384 1.00 0.31 N ATOM 0 H HIS A 48 -2.787 3.519 1.694 1.00 0.14 H new ATOM 0 HA HIS A 48 -4.049 5.694 0.656 1.00 0.15 H new ATOM 0 HB2 HIS A 48 -3.961 4.222 3.185 1.00 0.18 H new ATOM 0 HB3 HIS A 48 -4.298 5.920 3.459 1.00 0.18 H new ATOM 0 HD2 HIS A 48 -5.786 4.334 0.263 1.00 0.21 H new ATOM 0 HE1 HIS A 48 -8.922 4.663 3.097 1.00 0.47 H new ATOM 0 HE2 HIS A 48 -8.349 4.049 0.684 1.00 0.31 H new ATOM 634 N ARG A 49 -1.921 6.685 2.985 1.00 0.17 N ATOM 635 CA ARG A 49 -1.322 7.881 3.546 1.00 0.18 C ATOM 636 C ARG A 49 -0.396 8.540 2.534 1.00 0.22 C ATOM 637 O ARG A 49 -0.414 9.758 2.354 1.00 0.28 O ATOM 638 CB ARG A 49 -0.544 7.541 4.797 1.00 0.16 C ATOM 639 CG ARG A 49 -1.340 6.761 5.819 1.00 0.17 C ATOM 640 CD ARG A 49 -0.646 6.820 7.149 1.00 0.17 C ATOM 641 NE ARG A 49 -0.566 5.521 7.815 1.00 0.29 N ATOM 642 CZ ARG A 49 -0.861 5.328 9.100 1.00 0.52 C ATOM 643 NH1 ARG A 49 -1.446 6.288 9.807 1.00 0.69 N ATOM 644 NH2 ARG A 49 -0.600 4.164 9.672 1.00 0.68 N ATOM 0 H ARG A 49 -1.723 5.827 3.500 1.00 0.17 H new ATOM 0 HA ARG A 49 -2.123 8.576 3.799 1.00 0.18 H new ATOM 0 HB2 ARG A 49 0.338 6.963 4.519 1.00 0.16 H new ATOM 0 HB3 ARG A 49 -0.189 8.464 5.255 1.00 0.16 H new ATOM 0 HG2 ARG A 49 -2.346 7.173 5.903 1.00 0.17 H new ATOM 0 HG3 ARG A 49 -1.446 5.725 5.498 1.00 0.17 H new ATOM 0 HD2 ARG A 49 0.361 7.212 7.009 1.00 0.17 H new ATOM 0 HD3 ARG A 49 -1.173 7.521 7.796 1.00 0.17 H new ATOM 0 HE ARG A 49 -0.267 4.716 7.264 1.00 0.29 H new ATOM 0 HH11 ARG A 49 -1.672 7.180 9.367 1.00 0.69 H new ATOM 0 HH12 ARG A 49 -1.669 6.133 10.790 1.00 0.69 H new ATOM 0 HH21 ARG A 49 -0.173 3.414 9.129 1.00 0.68 H new ATOM 0 HH22 ARG A 49 -0.826 4.017 10.656 1.00 0.68 H new ATOM 658 N ALA A 50 0.387 7.705 1.865 1.00 0.24 N ATOM 659 CA ALA A 50 1.351 8.160 0.875 1.00 0.31 C ATOM 660 C ALA A 50 0.681 8.951 -0.246 1.00 0.35 C ATOM 661 O ALA A 50 1.166 10.014 -0.634 1.00 0.42 O ATOM 662 CB ALA A 50 2.122 6.978 0.303 1.00 0.34 C ATOM 0 H ALA A 50 0.371 6.693 1.994 1.00 0.24 H new ATOM 0 HA ALA A 50 2.049 8.829 1.378 1.00 0.31 H new ATOM 0 HB1 ALA A 50 2.839 7.335 -0.436 1.00 0.34 H new ATOM 0 HB2 ALA A 50 2.653 6.467 1.106 1.00 0.34 H new ATOM 0 HB3 ALA A 50 1.427 6.285 -0.171 1.00 0.34 H new ATOM 668 N ALA A 51 -0.419 8.433 -0.780 1.00 0.34 N ATOM 669 CA ALA A 51 -1.118 9.112 -1.862 1.00 0.43 C ATOM 670 C ALA A 51 -2.034 10.217 -1.351 1.00 0.41 C ATOM 671 O ALA A 51 -2.182 11.252 -1.999 1.00 0.47 O ATOM 672 CB ALA A 51 -1.921 8.118 -2.679 1.00 0.52 C ATOM 0 H ALA A 51 -0.842 7.553 -0.484 1.00 0.34 H new ATOM 0 HA ALA A 51 -0.358 9.575 -2.492 1.00 0.43 H new ATOM 0 HB1 ALA A 51 -2.437 8.641 -3.484 1.00 0.52 H new ATOM 0 HB2 ALA A 51 -1.251 7.371 -3.104 1.00 0.52 H new ATOM 0 HB3 ALA A 51 -2.653 7.627 -2.038 1.00 0.52 H new ATOM 678 N LEU A 52 -2.657 9.997 -0.197 1.00 0.36 N ATOM 679 CA LEU A 52 -3.606 10.965 0.332 1.00 0.39 C ATOM 680 C LEU A 52 -2.855 12.198 0.825 1.00 0.40 C ATOM 681 O LEU A 52 -2.865 13.234 0.159 1.00 0.46 O ATOM 682 CB LEU A 52 -4.466 10.358 1.447 1.00 0.39 C ATOM 683 CG LEU A 52 -5.020 8.960 1.156 1.00 0.36 C ATOM 684 CD1 LEU A 52 -5.827 8.443 2.328 1.00 0.39 C ATOM 685 CD2 LEU A 52 -5.847 8.952 -0.112 1.00 0.43 C ATOM 0 H LEU A 52 -2.523 9.168 0.382 1.00 0.36 H new ATOM 0 HA LEU A 52 -4.286 11.259 -0.468 1.00 0.39 H new ATOM 0 HB2 LEU A 52 -3.871 10.313 2.359 1.00 0.39 H new ATOM 0 HB3 LEU A 52 -5.302 11.029 1.645 1.00 0.39 H new ATOM 0 HG LEU A 52 -4.172 8.291 1.007 1.00 0.36 H new ATOM 0 HD11 LEU A 52 -6.209 7.449 2.096 1.00 0.39 H new ATOM 0 HD12 LEU A 52 -5.192 8.390 3.212 1.00 0.39 H new ATOM 0 HD13 LEU A 52 -6.662 9.117 2.521 1.00 0.39 H new ATOM 0 HD21 LEU A 52 -6.227 7.946 -0.292 1.00 0.43 H new ATOM 0 HD22 LEU A 52 -6.684 9.642 -0.005 1.00 0.43 H new ATOM 0 HD23 LEU A 52 -5.227 9.262 -0.953 1.00 0.43 H new ATOM 697 N GLY A 53 -2.205 12.101 1.982 1.00 0.36 N ATOM 698 CA GLY A 53 -1.314 13.165 2.409 1.00 0.37 C ATOM 699 C GLY A 53 -0.680 12.906 3.769 1.00 0.36 C ATOM 700 O GLY A 53 0.089 13.730 4.265 1.00 0.55 O ATOM 0 H GLY A 53 -2.278 11.313 2.625 1.00 0.36 H new ATOM 0 HA2 GLY A 53 -0.526 13.291 1.666 1.00 0.37 H new ATOM 0 HA3 GLY A 53 -1.869 14.102 2.447 1.00 0.37 H new ATOM 704 N ALA A 54 -0.985 11.759 4.371 1.00 0.30 N ATOM 705 CA ALA A 54 -0.487 11.441 5.702 1.00 0.27 C ATOM 706 C ALA A 54 0.944 10.913 5.647 1.00 0.23 C ATOM 707 O ALA A 54 1.257 9.994 4.896 1.00 0.24 O ATOM 708 CB ALA A 54 -1.411 10.451 6.392 1.00 0.29 C ATOM 0 H ALA A 54 -1.574 11.037 3.957 1.00 0.30 H new ATOM 0 HA ALA A 54 -0.472 12.360 6.287 1.00 0.27 H new ATOM 0 HB1 ALA A 54 -1.024 10.224 7.386 1.00 0.29 H new ATOM 0 HB2 ALA A 54 -2.407 10.884 6.481 1.00 0.29 H new ATOM 0 HB3 ALA A 54 -1.465 9.534 5.805 1.00 0.29 H new ATOM 714 N ASP A 55 1.803 11.510 6.454 1.00 0.24 N ATOM 715 CA ASP A 55 3.228 11.204 6.430 1.00 0.24 C ATOM 716 C ASP A 55 3.664 10.424 7.664 1.00 0.21 C ATOM 717 O ASP A 55 4.746 10.652 8.210 1.00 0.25 O ATOM 718 CB ASP A 55 4.047 12.495 6.305 1.00 0.33 C ATOM 719 CG ASP A 55 3.867 13.429 7.491 1.00 1.21 C ATOM 720 OD1 ASP A 55 2.763 13.984 7.659 1.00 1.37 O ATOM 721 OD2 ASP A 55 4.830 13.601 8.276 1.00 1.93 O ATOM 0 H ASP A 55 1.538 12.216 7.141 1.00 0.24 H new ATOM 0 HA ASP A 55 3.412 10.574 5.560 1.00 0.24 H new ATOM 0 HB2 ASP A 55 5.102 12.241 6.206 1.00 0.33 H new ATOM 0 HB3 ASP A 55 3.758 13.016 5.392 1.00 0.33 H new ATOM 726 N ASP A 56 2.829 9.495 8.095 1.00 0.19 N ATOM 727 CA ASP A 56 3.211 8.591 9.174 1.00 0.22 C ATOM 728 C ASP A 56 4.279 7.635 8.651 1.00 0.17 C ATOM 729 O ASP A 56 4.058 6.956 7.656 1.00 0.21 O ATOM 730 CB ASP A 56 2.004 7.812 9.696 1.00 0.30 C ATOM 731 CG ASP A 56 2.248 7.222 11.074 1.00 0.65 C ATOM 732 OD1 ASP A 56 3.426 7.036 11.445 1.00 0.93 O ATOM 733 OD2 ASP A 56 1.269 6.923 11.788 1.00 0.86 O ATOM 0 H ASP A 56 1.892 9.345 7.722 1.00 0.19 H new ATOM 0 HA ASP A 56 3.606 9.172 10.007 1.00 0.22 H new ATOM 0 HB2 ASP A 56 1.138 8.472 9.735 1.00 0.30 H new ATOM 0 HB3 ASP A 56 1.763 7.010 8.998 1.00 0.30 H new ATOM 738 N ASN A 57 5.445 7.644 9.294 1.00 0.23 N ATOM 739 CA ASN A 57 6.645 6.948 8.819 1.00 0.20 C ATOM 740 C ASN A 57 6.420 5.578 8.162 1.00 0.17 C ATOM 741 O ASN A 57 7.069 5.287 7.166 1.00 0.18 O ATOM 742 CB ASN A 57 7.674 6.815 9.933 1.00 0.25 C ATOM 743 CG ASN A 57 7.210 5.965 11.099 1.00 0.35 C ATOM 744 OD1 ASN A 57 6.566 6.457 12.023 1.00 0.70 O ATOM 745 ND2 ASN A 57 7.557 4.690 11.079 1.00 0.47 N ATOM 0 H ASN A 57 5.588 8.142 10.173 1.00 0.23 H new ATOM 0 HA ASN A 57 7.013 7.591 8.019 1.00 0.20 H new ATOM 0 HB2 ASN A 57 8.587 6.383 9.522 1.00 0.25 H new ATOM 0 HB3 ASN A 57 7.929 7.809 10.300 1.00 0.25 H new ATOM 0 HD21 ASN A 57 7.290 4.077 11.849 1.00 0.47 H new ATOM 0 HD22 ASN A 57 8.092 4.319 10.294 1.00 0.47 H new ATOM 752 N ASP A 58 5.533 4.738 8.683 1.00 0.18 N ATOM 753 CA ASP A 58 5.303 3.423 8.060 1.00 0.19 C ATOM 754 C ASP A 58 4.843 3.599 6.619 1.00 0.16 C ATOM 755 O ASP A 58 5.221 2.839 5.724 1.00 0.19 O ATOM 756 CB ASP A 58 4.288 2.592 8.857 1.00 0.22 C ATOM 757 CG ASP A 58 3.090 3.393 9.319 1.00 1.28 C ATOM 758 OD1 ASP A 58 3.214 4.088 10.345 1.00 1.35 O ATOM 759 OD2 ASP A 58 2.021 3.312 8.679 1.00 2.31 O ATOM 0 H ASP A 58 4.971 4.928 9.513 1.00 0.18 H new ATOM 0 HA ASP A 58 6.247 2.877 8.065 1.00 0.19 H new ATOM 0 HB2 ASP A 58 3.945 1.761 8.240 1.00 0.22 H new ATOM 0 HB3 ASP A 58 4.785 2.160 9.726 1.00 0.22 H new ATOM 764 N ALA A 59 4.057 4.631 6.417 1.00 0.13 N ATOM 765 CA ALA A 59 3.578 4.996 5.098 1.00 0.11 C ATOM 766 C ALA A 59 4.670 5.654 4.271 1.00 0.12 C ATOM 767 O ALA A 59 4.726 5.472 3.055 1.00 0.13 O ATOM 768 CB ALA A 59 2.392 5.918 5.205 1.00 0.10 C ATOM 0 H ALA A 59 3.729 5.245 7.163 1.00 0.13 H new ATOM 0 HA ALA A 59 3.276 4.078 4.593 1.00 0.11 H new ATOM 0 HB1 ALA A 59 2.045 6.182 4.206 1.00 0.10 H new ATOM 0 HB2 ALA A 59 1.590 5.417 5.747 1.00 0.10 H new ATOM 0 HB3 ALA A 59 2.682 6.823 5.739 1.00 0.10 H new ATOM 774 N VAL A 60 5.552 6.412 4.917 1.00 0.14 N ATOM 775 CA VAL A 60 6.578 7.127 4.175 1.00 0.17 C ATOM 776 C VAL A 60 7.663 6.166 3.717 1.00 0.18 C ATOM 777 O VAL A 60 8.217 6.317 2.633 1.00 0.20 O ATOM 778 CB VAL A 60 7.216 8.294 4.966 1.00 0.21 C ATOM 779 CG1 VAL A 60 6.151 9.107 5.674 1.00 0.22 C ATOM 780 CG2 VAL A 60 8.286 7.813 5.934 1.00 0.25 C ATOM 0 H VAL A 60 5.576 6.544 5.928 1.00 0.14 H new ATOM 0 HA VAL A 60 6.076 7.569 3.315 1.00 0.17 H new ATOM 0 HB VAL A 60 7.716 8.942 4.246 1.00 0.21 H new ATOM 0 HG11 VAL A 60 6.621 9.922 6.224 1.00 0.22 H new ATOM 0 HG12 VAL A 60 5.458 9.517 4.939 1.00 0.22 H new ATOM 0 HG13 VAL A 60 5.607 8.467 6.369 1.00 0.22 H new ATOM 0 HG21 VAL A 60 8.705 8.667 6.466 1.00 0.25 H new ATOM 0 HG22 VAL A 60 7.844 7.120 6.650 1.00 0.25 H new ATOM 0 HG23 VAL A 60 9.077 7.307 5.380 1.00 0.25 H new ATOM 790 N LYS A 61 7.960 5.175 4.553 1.00 0.19 N ATOM 791 CA LYS A 61 8.899 4.136 4.199 1.00 0.22 C ATOM 792 C LYS A 61 8.302 3.235 3.130 1.00 0.20 C ATOM 793 O LYS A 61 9.015 2.691 2.287 1.00 0.28 O ATOM 794 CB LYS A 61 9.243 3.353 5.450 1.00 0.29 C ATOM 795 CG LYS A 61 9.871 4.224 6.526 1.00 0.37 C ATOM 796 CD LYS A 61 9.630 3.655 7.912 1.00 0.49 C ATOM 797 CE LYS A 61 9.882 2.163 7.948 1.00 1.13 C ATOM 798 NZ LYS A 61 11.326 1.828 7.832 1.00 1.71 N ATOM 0 H LYS A 61 7.556 5.077 5.485 1.00 0.19 H new ATOM 0 HA LYS A 61 9.810 4.572 3.789 1.00 0.22 H new ATOM 0 HB2 LYS A 61 8.339 2.889 5.844 1.00 0.29 H new ATOM 0 HB3 LYS A 61 9.930 2.546 5.193 1.00 0.29 H new ATOM 0 HG2 LYS A 61 10.943 4.309 6.348 1.00 0.37 H new ATOM 0 HG3 LYS A 61 9.458 5.231 6.468 1.00 0.37 H new ATOM 0 HD2 LYS A 61 10.282 4.153 8.630 1.00 0.49 H new ATOM 0 HD3 LYS A 61 8.604 3.860 8.218 1.00 0.49 H new ATOM 0 HE2 LYS A 61 9.491 1.754 8.879 1.00 1.13 H new ATOM 0 HE3 LYS A 61 9.335 1.685 7.135 1.00 1.13 H new ATOM 0 HZ1 LYS A 61 11.446 0.795 7.862 1.00 1.71 H new ATOM 0 HZ2 LYS A 61 11.696 2.194 6.932 1.00 1.71 H new ATOM 0 HZ3 LYS A 61 11.847 2.260 8.622 1.00 1.71 H new ATOM 812 N PHE A 62 6.983 3.090 3.172 1.00 0.14 N ATOM 813 CA PHE A 62 6.258 2.415 2.114 1.00 0.13 C ATOM 814 C PHE A 62 6.447 3.181 0.828 1.00 0.13 C ATOM 815 O PHE A 62 6.845 2.627 -0.183 1.00 0.15 O ATOM 816 CB PHE A 62 4.770 2.336 2.447 1.00 0.14 C ATOM 817 CG PHE A 62 3.945 1.697 1.367 1.00 0.14 C ATOM 818 CD1 PHE A 62 3.815 0.317 1.290 1.00 0.16 C ATOM 819 CD2 PHE A 62 3.301 2.479 0.429 1.00 0.15 C ATOM 820 CE1 PHE A 62 3.058 -0.264 0.296 1.00 0.18 C ATOM 821 CE2 PHE A 62 2.545 1.902 -0.567 1.00 0.16 C ATOM 822 CZ PHE A 62 2.419 0.506 -0.617 1.00 0.17 C ATOM 0 H PHE A 62 6.396 3.434 3.932 1.00 0.14 H new ATOM 0 HA PHE A 62 6.642 1.400 2.009 1.00 0.13 H new ATOM 0 HB2 PHE A 62 4.643 1.772 3.371 1.00 0.14 H new ATOM 0 HB3 PHE A 62 4.394 3.342 2.633 1.00 0.14 H new ATOM 0 HD1 PHE A 62 4.313 -0.308 2.017 1.00 0.16 H new ATOM 0 HD2 PHE A 62 3.391 3.554 0.477 1.00 0.15 H new ATOM 0 HE1 PHE A 62 2.974 -1.339 0.245 1.00 0.18 H new ATOM 0 HE2 PHE A 62 2.053 2.520 -1.304 1.00 0.16 H new ATOM 0 HZ PHE A 62 1.813 0.045 -1.383 1.00 0.17 H new ATOM 832 N ARG A 63 6.139 4.465 0.888 1.00 0.12 N ATOM 833 CA ARG A 63 6.343 5.375 -0.222 1.00 0.15 C ATOM 834 C ARG A 63 7.764 5.264 -0.772 1.00 0.14 C ATOM 835 O ARG A 63 7.956 4.955 -1.941 1.00 0.16 O ATOM 836 CB ARG A 63 6.037 6.797 0.277 1.00 0.21 C ATOM 837 CG ARG A 63 6.438 7.932 -0.651 1.00 0.42 C ATOM 838 CD ARG A 63 7.893 8.335 -0.453 1.00 0.39 C ATOM 839 NE ARG A 63 8.145 9.688 -0.918 1.00 0.76 N ATOM 840 CZ ARG A 63 9.105 10.480 -0.442 1.00 1.06 C ATOM 841 NH1 ARG A 63 9.898 10.065 0.541 1.00 1.44 N ATOM 842 NH2 ARG A 63 9.263 11.697 -0.941 1.00 1.37 N ATOM 0 H ARG A 63 5.738 4.907 1.715 1.00 0.12 H new ATOM 0 HA ARG A 63 5.676 5.122 -1.046 1.00 0.15 H new ATOM 0 HB2 ARG A 63 4.966 6.871 0.467 1.00 0.21 H new ATOM 0 HB3 ARG A 63 6.541 6.941 1.233 1.00 0.21 H new ATOM 0 HG2 ARG A 63 6.282 7.628 -1.686 1.00 0.42 H new ATOM 0 HG3 ARG A 63 5.794 8.793 -0.472 1.00 0.42 H new ATOM 0 HD2 ARG A 63 8.151 8.260 0.603 1.00 0.39 H new ATOM 0 HD3 ARG A 63 8.539 7.640 -0.989 1.00 0.39 H new ATOM 0 HE ARG A 63 7.547 10.056 -1.658 1.00 0.76 H new ATOM 0 HH11 ARG A 63 9.774 9.133 0.937 1.00 1.44 H new ATOM 0 HH12 ARG A 63 10.630 10.678 0.899 1.00 1.44 H new ATOM 0 HH21 ARG A 63 8.651 12.026 -1.688 1.00 1.37 H new ATOM 0 HH22 ARG A 63 9.997 12.305 -0.579 1.00 1.37 H new ATOM 856 N SER A 64 8.730 5.544 0.089 1.00 0.13 N ATOM 857 CA SER A 64 10.153 5.446 -0.241 1.00 0.16 C ATOM 858 C SER A 64 10.482 4.190 -1.064 1.00 0.17 C ATOM 859 O SER A 64 11.113 4.277 -2.119 1.00 0.28 O ATOM 860 CB SER A 64 10.985 5.457 1.047 1.00 0.21 C ATOM 861 OG SER A 64 12.376 5.503 0.769 1.00 1.30 O ATOM 0 H SER A 64 8.552 5.849 1.046 1.00 0.13 H new ATOM 0 HA SER A 64 10.403 6.310 -0.857 1.00 0.16 H new ATOM 0 HB2 SER A 64 10.706 6.318 1.654 1.00 0.21 H new ATOM 0 HB3 SER A 64 10.760 4.567 1.634 1.00 0.21 H new ATOM 0 HG SER A 64 12.878 5.510 1.611 1.00 1.30 H new ATOM 867 N TRP A 65 10.051 3.033 -0.580 1.00 0.13 N ATOM 868 CA TRP A 65 10.342 1.760 -1.234 1.00 0.14 C ATOM 869 C TRP A 65 9.455 1.529 -2.464 1.00 0.13 C ATOM 870 O TRP A 65 9.942 1.155 -3.532 1.00 0.15 O ATOM 871 CB TRP A 65 10.196 0.633 -0.200 1.00 0.17 C ATOM 872 CG TRP A 65 9.873 -0.709 -0.774 1.00 0.17 C ATOM 873 CD1 TRP A 65 10.737 -1.655 -1.229 1.00 0.20 C ATOM 874 CD2 TRP A 65 8.572 -1.248 -0.934 1.00 0.16 C ATOM 875 NE1 TRP A 65 10.037 -2.758 -1.666 1.00 0.19 N ATOM 876 CE2 TRP A 65 8.702 -2.523 -1.497 1.00 0.16 C ATOM 877 CE3 TRP A 65 7.312 -0.758 -0.650 1.00 0.19 C ATOM 878 CZ2 TRP A 65 7.600 -3.319 -1.784 1.00 0.17 C ATOM 879 CZ3 TRP A 65 6.217 -1.543 -0.932 1.00 0.23 C ATOM 880 CH2 TRP A 65 6.369 -2.813 -1.496 1.00 0.21 C ATOM 0 H TRP A 65 9.494 2.948 0.270 1.00 0.13 H new ATOM 0 HA TRP A 65 11.366 1.775 -1.608 1.00 0.14 H new ATOM 0 HB2 TRP A 65 11.124 0.556 0.366 1.00 0.17 H new ATOM 0 HB3 TRP A 65 9.413 0.908 0.507 1.00 0.17 H new ATOM 0 HD1 TRP A 65 11.812 -1.556 -1.245 1.00 0.20 H new ATOM 0 HE1 TRP A 65 10.447 -3.609 -2.052 1.00 0.19 H new ATOM 0 HE3 TRP A 65 7.188 0.223 -0.215 1.00 0.19 H new ATOM 0 HZ2 TRP A 65 7.715 -4.301 -2.219 1.00 0.17 H new ATOM 0 HZ3 TRP A 65 5.226 -1.172 -0.714 1.00 0.23 H new ATOM 0 HH2 TRP A 65 5.491 -3.406 -1.708 1.00 0.21 H new ATOM 891 N TRP A 66 8.169 1.790 -2.319 1.00 0.12 N ATOM 892 CA TRP A 66 7.186 1.474 -3.348 1.00 0.13 C ATOM 893 C TRP A 66 7.244 2.472 -4.493 1.00 0.12 C ATOM 894 O TRP A 66 7.397 2.087 -5.645 1.00 0.19 O ATOM 895 CB TRP A 66 5.790 1.457 -2.731 1.00 0.16 C ATOM 896 CG TRP A 66 4.740 0.871 -3.613 1.00 0.19 C ATOM 897 CD1 TRP A 66 3.610 1.483 -4.047 1.00 0.23 C ATOM 898 CD2 TRP A 66 4.715 -0.447 -4.167 1.00 0.24 C ATOM 899 NE1 TRP A 66 2.883 0.631 -4.825 1.00 0.26 N ATOM 900 CE2 TRP A 66 3.539 -0.553 -4.915 1.00 0.27 C ATOM 901 CE3 TRP A 66 5.568 -1.545 -4.105 1.00 0.30 C ATOM 902 CZ2 TRP A 66 3.190 -1.698 -5.592 1.00 0.34 C ATOM 903 CZ3 TRP A 66 5.223 -2.696 -4.782 1.00 0.38 C ATOM 904 CH2 TRP A 66 4.044 -2.766 -5.520 1.00 0.39 C ATOM 0 H TRP A 66 7.773 2.227 -1.487 1.00 0.12 H new ATOM 0 HA TRP A 66 7.417 0.490 -3.755 1.00 0.13 H new ATOM 0 HB2 TRP A 66 5.823 0.892 -1.800 1.00 0.16 H new ATOM 0 HB3 TRP A 66 5.506 2.478 -2.475 1.00 0.16 H new ATOM 0 HD1 TRP A 66 3.327 2.498 -3.811 1.00 0.23 H new ATOM 0 HE1 TRP A 66 1.990 0.849 -5.268 1.00 0.26 H new ATOM 0 HE3 TRP A 66 6.485 -1.497 -3.536 1.00 0.30 H new ATOM 0 HZ2 TRP A 66 2.274 -1.753 -6.161 1.00 0.34 H new ATOM 0 HZ3 TRP A 66 5.876 -3.555 -4.739 1.00 0.38 H new ATOM 0 HH2 TRP A 66 3.799 -3.678 -6.044 1.00 0.39 H new ATOM 915 N ASN A 67 7.048 3.746 -4.192 1.00 0.17 N ATOM 916 CA ASN A 67 7.237 4.812 -5.180 1.00 0.17 C ATOM 917 C ASN A 67 8.616 4.818 -5.841 1.00 0.18 C ATOM 918 O ASN A 67 8.878 5.634 -6.720 1.00 0.22 O ATOM 919 CB ASN A 67 6.982 6.174 -4.558 1.00 0.20 C ATOM 920 CG ASN A 67 5.510 6.435 -4.376 1.00 0.23 C ATOM 921 OD1 ASN A 67 4.842 6.960 -5.262 1.00 0.31 O ATOM 922 ND2 ASN A 67 4.990 6.062 -3.225 1.00 0.38 N ATOM 0 H ASN A 67 6.757 4.074 -3.271 1.00 0.17 H new ATOM 0 HA ASN A 67 6.509 4.603 -5.964 1.00 0.17 H new ATOM 0 HB2 ASN A 67 7.484 6.233 -3.593 1.00 0.20 H new ATOM 0 HB3 ASN A 67 7.414 6.950 -5.190 1.00 0.20 H new ATOM 0 HD21 ASN A 67 3.997 6.206 -3.044 1.00 0.38 H new ATOM 0 HD22 ASN A 67 5.581 5.629 -2.515 1.00 0.38 H new ATOM 929 N SER A 68 9.503 3.948 -5.415 1.00 0.18 N ATOM 930 CA SER A 68 10.778 3.813 -6.090 1.00 0.22 C ATOM 931 C SER A 68 10.686 2.745 -7.179 1.00 0.22 C ATOM 932 O SER A 68 11.498 2.708 -8.105 1.00 0.24 O ATOM 933 CB SER A 68 11.884 3.473 -5.091 1.00 0.25 C ATOM 934 OG SER A 68 13.163 3.494 -5.706 1.00 0.85 O ATOM 0 H SER A 68 9.370 3.329 -4.615 1.00 0.18 H new ATOM 0 HA SER A 68 11.027 4.765 -6.558 1.00 0.22 H new ATOM 0 HB2 SER A 68 11.863 4.186 -4.267 1.00 0.25 H new ATOM 0 HB3 SER A 68 11.700 2.487 -4.664 1.00 0.25 H new ATOM 0 HG SER A 68 13.849 3.274 -5.042 1.00 0.85 H new ATOM 940 N ARG A 69 9.690 1.876 -7.057 1.00 0.20 N ATOM 941 CA ARG A 69 9.499 0.779 -7.995 1.00 0.22 C ATOM 942 C ARG A 69 8.224 0.958 -8.819 1.00 0.24 C ATOM 943 O ARG A 69 8.264 1.062 -10.044 1.00 0.27 O ATOM 944 CB ARG A 69 9.472 -0.562 -7.247 1.00 0.22 C ATOM 945 CG ARG A 69 8.722 -0.544 -5.927 1.00 0.29 C ATOM 946 CD ARG A 69 8.708 -1.919 -5.278 1.00 0.22 C ATOM 947 NE ARG A 69 10.054 -2.461 -5.107 1.00 0.84 N ATOM 948 CZ ARG A 69 10.384 -3.734 -5.330 1.00 0.99 C ATOM 949 NH1 ARG A 69 9.465 -4.616 -5.720 1.00 0.97 N ATOM 950 NH2 ARG A 69 11.640 -4.125 -5.163 1.00 1.70 N ATOM 0 H ARG A 69 8.997 1.912 -6.310 1.00 0.20 H new ATOM 0 HA ARG A 69 10.341 0.782 -8.687 1.00 0.22 H new ATOM 0 HB2 ARG A 69 9.020 -1.313 -7.895 1.00 0.22 H new ATOM 0 HB3 ARG A 69 10.498 -0.878 -7.060 1.00 0.22 H new ATOM 0 HG2 ARG A 69 9.188 0.174 -5.252 1.00 0.29 H new ATOM 0 HG3 ARG A 69 7.698 -0.208 -6.093 1.00 0.29 H new ATOM 0 HD2 ARG A 69 8.217 -1.856 -4.307 1.00 0.22 H new ATOM 0 HD3 ARG A 69 8.118 -2.602 -5.889 1.00 0.22 H new ATOM 0 HE ARG A 69 10.789 -1.825 -4.797 1.00 0.84 H new ATOM 0 HH11 ARG A 69 8.498 -4.320 -5.851 1.00 0.97 H new ATOM 0 HH12 ARG A 69 9.729 -5.587 -5.888 1.00 0.97 H new ATOM 0 HH21 ARG A 69 12.348 -3.454 -4.865 1.00 1.70 H new ATOM 0 HH22 ARG A 69 11.898 -5.097 -5.332 1.00 1.70 H new ATOM 964 N THR A 70 7.108 1.002 -8.122 1.00 0.24 N ATOM 965 CA THR A 70 5.785 1.029 -8.740 1.00 0.26 C ATOM 966 C THR A 70 5.210 2.429 -8.818 1.00 0.25 C ATOM 967 O THR A 70 4.912 2.930 -9.902 1.00 0.29 O ATOM 968 CB THR A 70 4.825 0.196 -7.907 1.00 0.27 C ATOM 969 OG1 THR A 70 5.426 -1.066 -7.609 1.00 0.33 O ATOM 970 CG2 THR A 70 3.504 -0.009 -8.620 1.00 0.31 C ATOM 0 H THR A 70 7.086 1.020 -7.102 1.00 0.24 H new ATOM 0 HA THR A 70 5.901 0.637 -9.750 1.00 0.26 H new ATOM 0 HB THR A 70 4.619 0.733 -6.981 1.00 0.27 H new ATOM 0 HG1 THR A 70 5.113 -1.379 -6.735 1.00 0.33 H new ATOM 0 HG21 THR A 70 2.842 -0.609 -7.995 1.00 0.31 H new ATOM 0 HG22 THR A 70 3.041 0.959 -8.814 1.00 0.31 H new ATOM 0 HG23 THR A 70 3.677 -0.524 -9.565 1.00 0.31 H new ATOM 978 N LYS A 71 5.031 3.020 -7.632 1.00 0.24 N ATOM 979 CA LYS A 71 4.434 4.345 -7.462 1.00 0.27 C ATOM 980 C LYS A 71 2.910 4.283 -7.525 1.00 0.30 C ATOM 981 O LYS A 71 2.245 5.315 -7.553 1.00 0.52 O ATOM 982 CB LYS A 71 4.980 5.341 -8.467 1.00 0.32 C ATOM 983 CG LYS A 71 6.504 5.385 -8.500 1.00 0.35 C ATOM 984 CD LYS A 71 7.061 6.501 -9.367 1.00 0.46 C ATOM 985 CE LYS A 71 6.683 7.874 -8.832 1.00 0.93 C ATOM 986 NZ LYS A 71 7.284 8.969 -9.639 1.00 1.20 N ATOM 0 H LYS A 71 5.302 2.583 -6.751 1.00 0.24 H new ATOM 0 HA LYS A 71 4.713 4.696 -6.468 1.00 0.27 H new ATOM 0 HB2 LYS A 71 4.608 5.087 -9.460 1.00 0.32 H new ATOM 0 HB3 LYS A 71 4.599 6.334 -8.229 1.00 0.32 H new ATOM 0 HG2 LYS A 71 6.878 5.505 -7.483 1.00 0.35 H new ATOM 0 HG3 LYS A 71 6.879 4.430 -8.867 1.00 0.35 H new ATOM 0 HD2 LYS A 71 8.147 6.416 -9.416 1.00 0.46 H new ATOM 0 HD3 LYS A 71 6.687 6.392 -10.385 1.00 0.46 H new ATOM 0 HE2 LYS A 71 5.598 7.977 -8.831 1.00 0.93 H new ATOM 0 HE3 LYS A 71 7.012 7.963 -7.797 1.00 0.93 H new ATOM 0 HZ1 LYS A 71 7.002 9.888 -9.242 1.00 1.20 H new ATOM 0 HZ2 LYS A 71 8.321 8.886 -9.619 1.00 1.20 H new ATOM 0 HZ3 LYS A 71 6.950 8.900 -10.621 1.00 1.20 H new ATOM 1000 N MET A 72 2.390 3.044 -7.524 1.00 0.31 N ATOM 1001 CA MET A 72 0.955 2.722 -7.337 1.00 0.32 C ATOM 1002 C MET A 72 -0.014 3.597 -8.133 1.00 0.39 C ATOM 1003 O MET A 72 0.355 4.266 -9.099 1.00 0.72 O ATOM 1004 CB MET A 72 0.586 2.778 -5.848 1.00 0.35 C ATOM 1005 CG MET A 72 1.097 3.997 -5.120 1.00 0.40 C ATOM 1006 SD MET A 72 -0.031 5.403 -5.181 1.00 1.11 S ATOM 1007 CE MET A 72 0.978 6.670 -4.414 1.00 1.20 C ATOM 0 H MET A 72 2.967 2.213 -7.656 1.00 0.31 H new ATOM 0 HA MET A 72 0.840 1.713 -7.732 1.00 0.32 H new ATOM 0 HB2 MET A 72 -0.499 2.744 -5.755 1.00 0.35 H new ATOM 0 HB3 MET A 72 0.977 1.887 -5.356 1.00 0.35 H new ATOM 0 HG2 MET A 72 1.282 3.736 -4.078 1.00 0.40 H new ATOM 0 HG3 MET A 72 2.054 4.291 -5.550 1.00 0.40 H new ATOM 0 HE1 MET A 72 0.533 7.649 -4.596 1.00 1.20 H new ATOM 0 HE2 MET A 72 1.034 6.490 -3.340 1.00 1.20 H new ATOM 0 HE3 MET A 72 1.981 6.643 -4.839 1.00 1.20 H new ATOM 1017 N ALA A 73 -1.276 3.525 -7.727 1.00 0.48 N ATOM 1018 CA ALA A 73 -2.338 4.323 -8.296 1.00 0.56 C ATOM 1019 C ALA A 73 -3.358 4.651 -7.236 1.00 0.61 C ATOM 1020 O ALA A 73 -4.486 5.035 -7.531 1.00 0.93 O ATOM 1021 CB ALA A 73 -2.974 3.620 -9.480 1.00 0.67 C ATOM 0 H ALA A 73 -1.587 2.900 -6.983 1.00 0.48 H new ATOM 0 HA ALA A 73 -1.915 5.257 -8.666 1.00 0.56 H new ATOM 0 HB1 ALA A 73 -3.770 4.243 -9.888 1.00 0.67 H new ATOM 0 HB2 ALA A 73 -2.220 3.445 -10.247 1.00 0.67 H new ATOM 0 HB3 ALA A 73 -3.390 2.666 -9.156 1.00 0.67 H new ATOM 1027 N ASN A 74 -2.873 4.599 -6.008 1.00 0.64 N ATOM 1028 CA ASN A 74 -3.681 4.695 -4.790 1.00 0.74 C ATOM 1029 C ASN A 74 -4.874 3.738 -4.797 1.00 0.92 C ATOM 1030 O ASN A 74 -4.905 2.770 -4.038 1.00 1.68 O ATOM 1031 CB ASN A 74 -4.160 6.125 -4.567 1.00 0.89 C ATOM 1032 CG ASN A 74 -5.030 6.256 -3.325 1.00 1.48 C ATOM 1033 OD1 ASN A 74 -6.257 6.229 -3.403 1.00 2.37 O ATOM 1034 ND2 ASN A 74 -4.400 6.362 -2.164 1.00 1.58 N ATOM 0 H ASN A 74 -1.877 4.486 -5.818 1.00 0.64 H new ATOM 0 HA ASN A 74 -3.032 4.400 -3.965 1.00 0.74 H new ATOM 0 HB2 ASN A 74 -3.297 6.785 -4.475 1.00 0.89 H new ATOM 0 HB3 ASN A 74 -4.723 6.457 -5.439 1.00 0.89 H new ATOM 0 HD21 ASN A 74 -4.935 6.424 -1.298 1.00 1.58 H new ATOM 0 HD22 ASN A 74 -3.381 6.381 -2.137 1.00 1.58 H new ATOM 1041 N ASP A 75 -5.849 4.032 -5.640 1.00 0.91 N ATOM 1042 CA ASP A 75 -7.092 3.282 -5.708 1.00 0.98 C ATOM 1043 C ASP A 75 -7.572 3.203 -7.156 1.00 0.96 C ATOM 1044 O ASP A 75 -8.605 2.605 -7.454 1.00 1.14 O ATOM 1045 CB ASP A 75 -8.143 3.976 -4.829 1.00 1.22 C ATOM 1046 CG ASP A 75 -9.503 3.306 -4.852 1.00 1.84 C ATOM 1047 OD1 ASP A 75 -9.614 2.165 -4.354 1.00 2.38 O ATOM 1048 OD2 ASP A 75 -10.454 3.902 -5.395 1.00 2.37 O ATOM 0 H ASP A 75 -5.800 4.806 -6.303 1.00 0.91 H new ATOM 0 HA ASP A 75 -6.933 2.267 -5.344 1.00 0.98 H new ATOM 0 HB2 ASP A 75 -7.781 4.005 -3.801 1.00 1.22 H new ATOM 0 HB3 ASP A 75 -8.252 5.009 -5.158 1.00 1.22 H new ATOM 1053 N TYR A 76 -6.799 3.786 -8.071 1.00 0.81 N ATOM 1054 CA TYR A 76 -7.236 3.907 -9.448 1.00 0.88 C ATOM 1055 C TYR A 76 -6.650 2.794 -10.307 1.00 0.93 C ATOM 1056 O TYR A 76 -5.709 3.065 -11.083 1.00 1.47 O ATOM 1057 CB TYR A 76 -6.841 5.271 -9.994 1.00 0.91 C ATOM 1058 CG TYR A 76 -7.453 6.425 -9.232 1.00 1.02 C ATOM 1059 CD1 TYR A 76 -8.790 6.761 -9.401 1.00 1.27 C ATOM 1060 CD2 TYR A 76 -6.697 7.176 -8.344 1.00 1.01 C ATOM 1061 CE1 TYR A 76 -9.352 7.810 -8.705 1.00 1.47 C ATOM 1062 CE2 TYR A 76 -7.252 8.226 -7.646 1.00 1.23 C ATOM 1063 CZ TYR A 76 -8.581 8.540 -7.828 1.00 1.45 C ATOM 1064 OH TYR A 76 -9.140 9.586 -7.128 1.00 1.70 O ATOM 0 H TYR A 76 -5.876 4.177 -7.880 1.00 0.81 H new ATOM 0 HA TYR A 76 -8.321 3.812 -9.479 1.00 0.88 H new ATOM 0 HB2 TYR A 76 -5.755 5.364 -9.968 1.00 0.91 H new ATOM 0 HB3 TYR A 76 -7.142 5.336 -11.040 1.00 0.91 H new ATOM 0 HD1 TYR A 76 -9.399 6.192 -10.088 1.00 1.27 H new ATOM 0 HD2 TYR A 76 -5.655 6.933 -8.197 1.00 1.01 H new ATOM 0 HE1 TYR A 76 -10.393 8.058 -8.847 1.00 1.47 H new ATOM 0 HE2 TYR A 76 -6.648 8.800 -6.959 1.00 1.23 H new ATOM 0 HH TYR A 76 -8.460 9.995 -6.552 1.00 1.70 H new TER 1074 TYR A 76