USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 793 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 47 THR OG1 : rot 180:sc= 0.925 USER MOD Set 1.2: A 56 THR OG1 : rot 103:sc= 1.09 USER MOD Set 2.1: A 52 THR OG1 : rot 180:sc= 0.727 USER MOD Set 2.2: A 54 THR OG1 : rot 104:sc= 0.755 USER MOD Set 3.1: A 5 GLN : amide:sc= 0 K(o=1.7,f=0.95) USER MOD Set 3.2: A 7 LYS NZ :NH3+ 136:sc= 1.72 (180deg=0.38) USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0905 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.27 X(o=-0.27,f=-0.077) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -2.2! C(o=-2.2!,f=-6.9!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 172:sc= -0.0125 (180deg=-0.126) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -170:sc= -0.546 USER MOD Single : A 31 LYS NZ :NH3+ 172:sc= 1.25 (180deg=1.12) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.122 K(o=-0.12,f=-0.63) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 40 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 48 TYR OH : rot 35:sc= 0.413 USER MOD Single : A 53 LYS NZ :NH3+ 134:sc= 1.33 (180deg=0.85) USER MOD Single : A 55 TYR OH : rot 30:sc= -1.93! USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0.23 K(o=0.23,f=-2!) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 1.17 K(o=1.2,f=-4.1!) USER MOD Single : A 81 MET CE :methyl -161:sc= -0.401 (180deg=-1.24!) USER MOD Single : A 82 LYS NZ :NH3+ -156:sc= 0.516 (180deg=0.205) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 154:sc= 1.09 USER MOD Single : A 85 SER OG : rot 63:sc= 1.28 USER MOD Single : A 90 TYR OH : rot 30:sc= 0 USER MOD Single : A 94 HIS : no HE2:sc= -0.0324 K(o=-0.032,f=-0.78) USER MOD Single : A 95 ASN :FLIP amide:sc= -1.65 F(o=-2.3!,f=-1.7) USER MOD Single : A 96 THR OG1 : rot -74:sc= 1.18 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 45:sc= 0.103 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000303) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -42.175 4.817 -1.647 1.00 4.75 N ATOM 2 CA GLY A 1 -41.657 5.796 -0.664 1.00 3.82 C ATOM 3 C GLY A 1 -40.360 6.425 -1.117 1.00 2.64 C ATOM 4 O GLY A 1 -39.791 6.018 -2.131 1.00 2.97 O ATOM 0 H1 GLY A 1 -43.155 5.061 -1.897 1.00 4.75 H new ATOM 0 H2 GLY A 1 -41.584 4.838 -2.503 1.00 4.75 H new ATOM 0 H3 GLY A 1 -42.151 3.863 -1.233 1.00 4.75 H new ATOM 0 HA2 GLY A 1 -42.401 6.576 -0.504 1.00 3.82 H new ATOM 0 HA3 GLY A 1 -41.503 5.300 0.294 1.00 3.82 H new ATOM 10 N SER A 2 -39.884 7.418 -0.372 1.00 1.83 N ATOM 11 CA SER A 2 -38.635 8.089 -0.701 1.00 1.07 C ATOM 12 C SER A 2 -37.438 7.211 -0.346 1.00 0.80 C ATOM 13 O SER A 2 -36.893 7.295 0.752 1.00 0.96 O ATOM 14 CB SER A 2 -38.542 9.428 0.035 1.00 1.95 C ATOM 15 OG SER A 2 -39.668 10.239 -0.253 1.00 2.45 O ATOM 0 H SER A 2 -40.346 7.775 0.464 1.00 1.83 H new ATOM 0 HA SER A 2 -38.620 8.274 -1.775 1.00 1.07 H new ATOM 0 HB2 SER A 2 -38.478 9.254 1.109 1.00 1.95 H new ATOM 0 HB3 SER A 2 -37.630 9.947 -0.259 1.00 1.95 H new ATOM 0 HG SER A 2 -39.590 11.089 0.228 1.00 2.45 H new ATOM 21 N HIS A 3 -37.121 6.289 -1.234 1.00 0.62 N ATOM 22 CA HIS A 3 -35.989 5.400 -1.048 1.00 0.44 C ATOM 23 C HIS A 3 -35.002 5.566 -2.200 1.00 0.40 C ATOM 24 O HIS A 3 -35.412 5.831 -3.326 1.00 0.53 O ATOM 25 CB HIS A 3 -36.460 3.944 -1.001 1.00 0.55 C ATOM 26 CG HIS A 3 -36.499 3.348 0.367 1.00 1.04 C ATOM 27 ND1 HIS A 3 -37.344 2.316 0.710 1.00 1.55 N ATOM 28 CD2 HIS A 3 -35.756 3.606 1.466 1.00 1.91 C ATOM 29 CE1 HIS A 3 -37.124 1.972 1.965 1.00 2.22 C ATOM 30 NE2 HIS A 3 -36.161 2.739 2.448 1.00 2.50 N ATOM 0 H HIS A 3 -37.637 6.135 -2.100 1.00 0.62 H new ATOM 0 HA HIS A 3 -35.502 5.654 -0.106 1.00 0.44 H new ATOM 0 HB2 HIS A 3 -37.457 3.884 -1.438 1.00 0.55 H new ATOM 0 HB3 HIS A 3 -35.801 3.342 -1.627 1.00 0.55 H new ATOM 0 HD2 HIS A 3 -34.985 4.357 1.555 1.00 1.91 H new ATOM 0 HE1 HIS A 3 -37.643 1.195 2.506 1.00 2.22 H new ATOM 0 HE2 HIS A 3 -35.782 2.693 3.394 1.00 2.50 H new ATOM 39 N MET A 4 -33.714 5.412 -1.924 1.00 0.38 N ATOM 40 CA MET A 4 -32.699 5.477 -2.964 1.00 0.41 C ATOM 41 C MET A 4 -31.923 4.170 -2.955 1.00 0.37 C ATOM 42 O MET A 4 -31.612 3.641 -1.883 1.00 0.43 O ATOM 43 CB MET A 4 -31.745 6.664 -2.750 1.00 0.54 C ATOM 44 CG MET A 4 -32.429 8.020 -2.781 1.00 1.29 C ATOM 45 SD MET A 4 -33.166 8.396 -4.387 1.00 1.92 S ATOM 46 CE MET A 4 -33.773 10.054 -4.096 1.00 2.06 C ATOM 0 H MET A 4 -33.348 5.241 -0.987 1.00 0.38 H new ATOM 0 HA MET A 4 -33.185 5.626 -3.928 1.00 0.41 H new ATOM 0 HB2 MET A 4 -31.242 6.544 -1.790 1.00 0.54 H new ATOM 0 HB3 MET A 4 -30.973 6.640 -3.520 1.00 0.54 H new ATOM 0 HG2 MET A 4 -33.204 8.048 -2.015 1.00 1.29 H new ATOM 0 HG3 MET A 4 -31.704 8.794 -2.529 1.00 1.29 H new ATOM 0 HE1 MET A 4 -34.257 10.428 -4.998 1.00 2.06 H new ATOM 0 HE2 MET A 4 -34.493 10.040 -3.278 1.00 2.06 H new ATOM 0 HE3 MET A 4 -32.940 10.706 -3.835 1.00 2.06 H new ATOM 56 N GLN A 5 -31.674 3.608 -4.126 1.00 0.34 N ATOM 57 CA GLN A 5 -30.952 2.351 -4.205 1.00 0.33 C ATOM 58 C GLN A 5 -29.451 2.603 -4.195 1.00 0.29 C ATOM 59 O GLN A 5 -28.858 2.919 -5.232 1.00 0.49 O ATOM 60 CB GLN A 5 -31.338 1.581 -5.466 1.00 0.44 C ATOM 61 CG GLN A 5 -30.699 0.207 -5.548 1.00 0.53 C ATOM 62 CD GLN A 5 -30.882 -0.435 -6.901 1.00 1.07 C ATOM 63 OE1 GLN A 5 -30.046 -0.287 -7.792 1.00 1.90 O ATOM 64 NE2 GLN A 5 -31.983 -1.140 -7.065 1.00 1.53 N ATOM 0 H GLN A 5 -31.958 3.997 -5.025 1.00 0.34 H new ATOM 0 HA GLN A 5 -31.220 1.751 -3.335 1.00 0.33 H new ATOM 0 HB2 GLN A 5 -32.422 1.473 -5.500 1.00 0.44 H new ATOM 0 HB3 GLN A 5 -31.048 2.162 -6.341 1.00 0.44 H new ATOM 0 HG2 GLN A 5 -29.634 0.291 -5.330 1.00 0.53 H new ATOM 0 HG3 GLN A 5 -31.131 -0.437 -4.782 1.00 0.53 H new ATOM 0 HE21 GLN A 5 -32.647 -1.235 -6.297 1.00 1.53 H new ATOM 0 HE22 GLN A 5 -32.171 -1.591 -7.960 1.00 1.53 H new ATOM 73 N TYR A 6 -28.839 2.443 -3.037 1.00 0.20 N ATOM 74 CA TYR A 6 -27.400 2.636 -2.922 1.00 0.21 C ATOM 75 C TYR A 6 -26.702 1.305 -3.143 1.00 0.23 C ATOM 76 O TYR A 6 -27.161 0.269 -2.656 1.00 0.30 O ATOM 77 CB TYR A 6 -26.995 3.239 -1.555 1.00 0.28 C ATOM 78 CG TYR A 6 -27.468 4.661 -1.371 1.00 0.28 C ATOM 79 CD1 TYR A 6 -26.703 5.728 -1.813 1.00 0.79 C ATOM 80 CD2 TYR A 6 -28.677 4.934 -0.740 1.00 0.78 C ATOM 81 CE1 TYR A 6 -27.125 7.027 -1.632 1.00 0.82 C ATOM 82 CE2 TYR A 6 -29.107 6.233 -0.559 1.00 0.83 C ATOM 83 CZ TYR A 6 -28.353 7.273 -1.058 1.00 0.43 C ATOM 84 OH TYR A 6 -28.739 8.574 -0.826 1.00 0.53 O ATOM 0 H TYR A 6 -29.307 2.183 -2.169 1.00 0.20 H new ATOM 0 HA TYR A 6 -27.091 3.352 -3.684 1.00 0.21 H new ATOM 0 HB2 TYR A 6 -27.404 2.620 -0.756 1.00 0.28 H new ATOM 0 HB3 TYR A 6 -25.910 3.208 -1.458 1.00 0.28 H new ATOM 0 HD1 TYR A 6 -25.761 5.539 -2.307 1.00 0.79 H new ATOM 0 HD2 TYR A 6 -29.289 4.117 -0.386 1.00 0.78 H new ATOM 0 HE1 TYR A 6 -26.496 7.849 -1.939 1.00 0.82 H new ATOM 0 HE2 TYR A 6 -30.027 6.433 -0.030 1.00 0.83 H new ATOM 0 HH TYR A 6 -29.630 8.583 -0.418 1.00 0.53 H new ATOM 94 N LYS A 7 -25.640 1.330 -3.924 1.00 0.26 N ATOM 95 CA LYS A 7 -24.900 0.130 -4.248 1.00 0.30 C ATOM 96 C LYS A 7 -23.464 0.252 -3.773 1.00 0.23 C ATOM 97 O LYS A 7 -22.901 1.345 -3.730 1.00 0.31 O ATOM 98 CB LYS A 7 -24.971 -0.140 -5.760 1.00 0.50 C ATOM 99 CG LYS A 7 -24.840 1.114 -6.607 1.00 0.98 C ATOM 100 CD LYS A 7 -25.335 0.889 -8.028 1.00 1.30 C ATOM 101 CE LYS A 7 -26.855 0.808 -8.084 1.00 1.94 C ATOM 102 NZ LYS A 7 -27.504 2.102 -7.727 1.00 2.57 N ATOM 0 H LYS A 7 -25.268 2.179 -4.349 1.00 0.26 H new ATOM 0 HA LYS A 7 -25.349 -0.719 -3.732 1.00 0.30 H new ATOM 0 HB2 LYS A 7 -24.180 -0.838 -6.034 1.00 0.50 H new ATOM 0 HB3 LYS A 7 -25.919 -0.627 -5.990 1.00 0.50 H new ATOM 0 HG2 LYS A 7 -25.407 1.924 -6.148 1.00 0.98 H new ATOM 0 HG3 LYS A 7 -23.797 1.429 -6.631 1.00 0.98 H new ATOM 0 HD2 LYS A 7 -24.989 1.701 -8.668 1.00 1.30 H new ATOM 0 HD3 LYS A 7 -24.906 -0.032 -8.422 1.00 1.30 H new ATOM 0 HE2 LYS A 7 -27.164 0.513 -9.087 1.00 1.94 H new ATOM 0 HE3 LYS A 7 -27.201 0.031 -7.403 1.00 1.94 H new ATOM 0 HZ1 LYS A 7 -28.276 2.299 -8.396 1.00 2.57 H new ATOM 0 HZ2 LYS A 7 -27.888 2.043 -6.762 1.00 2.57 H new ATOM 0 HZ3 LYS A 7 -26.801 2.867 -7.774 1.00 2.57 H new ATOM 116 N LEU A 8 -22.888 -0.874 -3.412 1.00 0.22 N ATOM 117 CA LEU A 8 -21.537 -0.898 -2.871 1.00 0.20 C ATOM 118 C LEU A 8 -20.691 -1.903 -3.629 1.00 0.17 C ATOM 119 O LEU A 8 -21.179 -2.968 -4.011 1.00 0.25 O ATOM 120 CB LEU A 8 -21.559 -1.283 -1.386 1.00 0.28 C ATOM 121 CG LEU A 8 -20.247 -1.101 -0.625 1.00 0.28 C ATOM 122 CD1 LEU A 8 -19.949 0.372 -0.343 1.00 0.30 C ATOM 123 CD2 LEU A 8 -20.323 -1.875 0.666 1.00 0.33 C ATOM 0 H LEU A 8 -23.332 -1.790 -3.482 1.00 0.22 H new ATOM 0 HA LEU A 8 -21.109 0.099 -2.978 1.00 0.20 H new ATOM 0 HB2 LEU A 8 -22.328 -0.692 -0.890 1.00 0.28 H new ATOM 0 HB3 LEU A 8 -21.859 -2.328 -1.307 1.00 0.28 H new ATOM 0 HG LEU A 8 -19.433 -1.478 -1.244 1.00 0.28 H new ATOM 0 HD11 LEU A 8 -19.007 0.455 0.200 1.00 0.30 H new ATOM 0 HD12 LEU A 8 -19.874 0.915 -1.285 1.00 0.30 H new ATOM 0 HD13 LEU A 8 -20.753 0.797 0.258 1.00 0.30 H new ATOM 0 HD21 LEU A 8 -19.392 -1.753 1.219 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -21.153 -1.501 1.266 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -20.480 -2.931 0.448 1.00 0.33 H new ATOM 135 N ILE A 9 -19.444 -1.546 -3.875 1.00 0.15 N ATOM 136 CA ILE A 9 -18.518 -2.441 -4.529 1.00 0.14 C ATOM 137 C ILE A 9 -17.339 -2.675 -3.608 1.00 0.13 C ATOM 138 O ILE A 9 -16.719 -1.719 -3.129 1.00 0.17 O ATOM 139 CB ILE A 9 -18.032 -1.896 -5.898 1.00 0.20 C ATOM 140 CG1 ILE A 9 -19.218 -1.740 -6.876 1.00 0.26 C ATOM 141 CG2 ILE A 9 -16.981 -2.832 -6.491 1.00 0.26 C ATOM 142 CD1 ILE A 9 -18.825 -1.088 -8.192 1.00 0.62 C ATOM 0 H ILE A 9 -19.051 -0.637 -3.629 1.00 0.15 H new ATOM 0 HA ILE A 9 -19.035 -3.378 -4.734 1.00 0.14 H new ATOM 0 HB ILE A 9 -17.585 -0.914 -5.740 1.00 0.20 H new ATOM 0 HG12 ILE A 9 -19.646 -2.722 -7.078 1.00 0.26 H new ATOM 0 HG13 ILE A 9 -19.997 -1.144 -6.401 1.00 0.26 H new ATOM 0 HG21 ILE A 9 -16.646 -2.441 -7.452 1.00 0.26 H new ATOM 0 HG22 ILE A 9 -16.131 -2.902 -5.812 1.00 0.26 H new ATOM 0 HG23 ILE A 9 -17.414 -3.822 -6.633 1.00 0.26 H new ATOM 0 HD11 ILE A 9 -19.702 -1.007 -8.834 1.00 0.62 H new ATOM 0 HD12 ILE A 9 -18.423 -0.093 -8.000 1.00 0.62 H new ATOM 0 HD13 ILE A 9 -18.067 -1.695 -8.687 1.00 0.62 H new ATOM 154 N LEU A 10 -17.097 -3.931 -3.272 1.00 0.12 N ATOM 155 CA LEU A 10 -15.993 -4.253 -2.393 1.00 0.13 C ATOM 156 C LEU A 10 -14.756 -4.502 -3.213 1.00 0.15 C ATOM 157 O LEU A 10 -14.577 -5.588 -3.770 1.00 0.25 O ATOM 158 CB LEU A 10 -16.265 -5.472 -1.494 1.00 0.14 C ATOM 159 CG LEU A 10 -17.491 -5.418 -0.563 1.00 0.16 C ATOM 160 CD1 LEU A 10 -17.737 -4.025 -0.023 1.00 0.17 C ATOM 161 CD2 LEU A 10 -18.733 -5.963 -1.251 1.00 0.19 C ATOM 0 H LEU A 10 -17.643 -4.732 -3.591 1.00 0.12 H new ATOM 0 HA LEU A 10 -15.856 -3.397 -1.732 1.00 0.13 H new ATOM 0 HB2 LEU A 10 -16.371 -6.346 -2.137 1.00 0.14 H new ATOM 0 HB3 LEU A 10 -15.382 -5.636 -0.876 1.00 0.14 H new ATOM 0 HG LEU A 10 -17.268 -6.059 0.290 1.00 0.16 H new ATOM 0 HD11 LEU A 10 -18.611 -4.036 0.628 1.00 0.17 H new ATOM 0 HD12 LEU A 10 -16.866 -3.696 0.544 1.00 0.17 H new ATOM 0 HD13 LEU A 10 -17.911 -3.339 -0.852 1.00 0.17 H new ATOM 0 HD21 LEU A 10 -19.580 -5.911 -0.567 1.00 0.19 H new ATOM 0 HD22 LEU A 10 -18.947 -5.369 -2.140 1.00 0.19 H new ATOM 0 HD23 LEU A 10 -18.563 -7.000 -1.540 1.00 0.19 H new ATOM 173 N ASN A 11 -13.951 -3.471 -3.376 1.00 0.15 N ATOM 174 CA ASN A 11 -12.735 -3.618 -4.130 1.00 0.18 C ATOM 175 C ASN A 11 -11.647 -4.107 -3.185 1.00 0.20 C ATOM 176 O ASN A 11 -10.890 -3.317 -2.622 1.00 0.24 O ATOM 177 CB ASN A 11 -12.296 -2.290 -4.786 1.00 0.24 C ATOM 178 CG ASN A 11 -13.407 -1.541 -5.520 1.00 1.01 C ATOM 179 OD1 ASN A 11 -14.571 -1.584 -5.144 1.00 1.96 O ATOM 180 ND2 ASN A 11 -13.039 -0.814 -6.562 1.00 1.33 N ATOM 0 H ASN A 11 -14.118 -2.538 -3.000 1.00 0.15 H new ATOM 0 HA ASN A 11 -12.907 -4.333 -4.935 1.00 0.18 H new ATOM 0 HB2 ASN A 11 -11.885 -1.638 -4.015 1.00 0.24 H new ATOM 0 HB3 ASN A 11 -11.490 -2.498 -5.490 1.00 0.24 H new ATOM 0 HD21 ASN A 11 -13.733 -0.270 -7.075 1.00 1.33 H new ATOM 0 HD22 ASN A 11 -12.061 -0.797 -6.853 1.00 1.33 H new ATOM 187 N GLY A 12 -11.602 -5.410 -2.985 1.00 0.21 N ATOM 188 CA GLY A 12 -10.582 -5.983 -2.134 1.00 0.26 C ATOM 189 C GLY A 12 -9.961 -7.216 -2.762 1.00 0.39 C ATOM 190 O GLY A 12 -10.666 -8.106 -3.218 1.00 0.91 O ATOM 0 H GLY A 12 -12.251 -6.082 -3.394 1.00 0.21 H new ATOM 0 HA2 GLY A 12 -9.807 -5.241 -1.944 1.00 0.26 H new ATOM 0 HA3 GLY A 12 -11.017 -6.245 -1.169 1.00 0.26 H new ATOM 194 N LYS A 13 -8.642 -7.245 -2.790 1.00 0.44 N ATOM 195 CA LYS A 13 -7.868 -8.323 -3.404 1.00 0.56 C ATOM 196 C LYS A 13 -8.305 -9.715 -2.933 1.00 0.66 C ATOM 197 O LYS A 13 -8.227 -10.685 -3.689 1.00 0.89 O ATOM 198 CB LYS A 13 -6.380 -8.111 -3.089 1.00 0.76 C ATOM 199 CG LYS A 13 -5.860 -6.739 -3.497 1.00 1.17 C ATOM 200 CD LYS A 13 -4.461 -6.468 -2.946 1.00 1.63 C ATOM 201 CE LYS A 13 -4.443 -6.465 -1.417 1.00 2.41 C ATOM 202 NZ LYS A 13 -3.112 -6.086 -0.863 1.00 3.26 N ATOM 0 H LYS A 13 -8.063 -6.511 -2.382 1.00 0.44 H new ATOM 0 HA LYS A 13 -8.046 -8.285 -4.479 1.00 0.56 H new ATOM 0 HB2 LYS A 13 -6.221 -8.247 -2.019 1.00 0.76 H new ATOM 0 HB3 LYS A 13 -5.796 -8.878 -3.599 1.00 0.76 H new ATOM 0 HG2 LYS A 13 -5.841 -6.668 -4.584 1.00 1.17 H new ATOM 0 HG3 LYS A 13 -6.545 -5.971 -3.139 1.00 1.17 H new ATOM 0 HD2 LYS A 13 -3.771 -7.227 -3.316 1.00 1.63 H new ATOM 0 HD3 LYS A 13 -4.105 -5.506 -3.315 1.00 1.63 H new ATOM 0 HE2 LYS A 13 -5.197 -5.770 -1.049 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -4.717 -7.455 -1.052 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -3.152 -6.099 0.176 1.00 3.26 H new ATOM 0 HZ2 LYS A 13 -2.394 -6.764 -1.190 1.00 3.26 H new ATOM 0 HZ3 LYS A 13 -2.860 -5.131 -1.188 1.00 3.26 H new ATOM 216 N THR A 14 -8.781 -9.815 -1.700 1.00 0.76 N ATOM 217 CA THR A 14 -9.183 -11.109 -1.159 1.00 1.06 C ATOM 218 C THR A 14 -10.590 -11.492 -1.628 1.00 0.93 C ATOM 219 O THR A 14 -10.831 -12.649 -1.984 1.00 1.20 O ATOM 220 CB THR A 14 -9.102 -11.125 0.383 1.00 1.44 C ATOM 221 OG1 THR A 14 -7.779 -10.755 0.789 1.00 1.93 O ATOM 222 CG2 THR A 14 -9.435 -12.504 0.934 1.00 1.86 C ATOM 0 H THR A 14 -8.898 -9.028 -1.061 1.00 0.76 H new ATOM 0 HA THR A 14 -8.483 -11.852 -1.540 1.00 1.06 H new ATOM 0 HB THR A 14 -9.829 -10.415 0.777 1.00 1.44 H new ATOM 0 HG1 THR A 14 -7.723 -10.762 1.767 1.00 1.93 H new ATOM 0 HG21 THR A 14 -9.370 -12.486 2.022 1.00 1.86 H new ATOM 0 HG22 THR A 14 -10.446 -12.781 0.635 1.00 1.86 H new ATOM 0 HG23 THR A 14 -8.728 -13.234 0.540 1.00 1.86 H new ATOM 230 N LEU A 15 -11.512 -10.536 -1.644 1.00 0.64 N ATOM 231 CA LEU A 15 -12.836 -10.770 -2.103 1.00 0.66 C ATOM 232 C LEU A 15 -13.363 -9.521 -2.810 1.00 0.49 C ATOM 233 O LEU A 15 -13.254 -8.407 -2.302 1.00 0.55 O ATOM 234 CB LEU A 15 -13.750 -11.197 -0.923 1.00 0.92 C ATOM 235 CG LEU A 15 -14.048 -10.182 0.196 1.00 1.07 C ATOM 236 CD1 LEU A 15 -12.834 -9.350 0.514 1.00 1.80 C ATOM 237 CD2 LEU A 15 -15.240 -9.307 -0.170 1.00 1.35 C ATOM 0 H LEU A 15 -11.341 -9.580 -1.333 1.00 0.64 H new ATOM 0 HA LEU A 15 -12.834 -11.589 -2.822 1.00 0.66 H new ATOM 0 HB2 LEU A 15 -14.705 -11.512 -1.344 1.00 0.92 H new ATOM 0 HB3 LEU A 15 -13.300 -12.075 -0.460 1.00 0.92 H new ATOM 0 HG LEU A 15 -14.307 -10.739 1.096 1.00 1.07 H new ATOM 0 HD11 LEU A 15 -13.075 -8.643 1.308 1.00 1.80 H new ATOM 0 HD12 LEU A 15 -12.023 -10.000 0.842 1.00 1.80 H new ATOM 0 HD13 LEU A 15 -12.524 -8.804 -0.377 1.00 1.80 H new ATOM 0 HD21 LEU A 15 -15.432 -8.598 0.635 1.00 1.35 H new ATOM 0 HD22 LEU A 15 -15.023 -8.762 -1.089 1.00 1.35 H new ATOM 0 HD23 LEU A 15 -16.119 -9.934 -0.319 1.00 1.35 H new ATOM 249 N LYS A 16 -13.817 -9.707 -4.026 1.00 0.42 N ATOM 250 CA LYS A 16 -14.362 -8.614 -4.812 1.00 0.37 C ATOM 251 C LYS A 16 -15.801 -8.942 -5.190 1.00 0.43 C ATOM 252 O LYS A 16 -16.095 -10.062 -5.600 1.00 0.58 O ATOM 253 CB LYS A 16 -13.534 -8.376 -6.086 1.00 0.45 C ATOM 254 CG LYS A 16 -12.023 -8.247 -5.869 1.00 0.43 C ATOM 255 CD LYS A 16 -11.301 -9.575 -5.901 1.00 1.03 C ATOM 256 CE LYS A 16 -11.558 -10.341 -7.193 1.00 1.81 C ATOM 257 NZ LYS A 16 -11.241 -9.524 -8.402 1.00 2.49 N ATOM 0 H LYS A 16 -13.822 -10.610 -4.500 1.00 0.42 H new ATOM 0 HA LYS A 16 -14.327 -7.704 -4.213 1.00 0.37 H new ATOM 0 HB2 LYS A 16 -13.716 -9.199 -6.777 1.00 0.45 H new ATOM 0 HB3 LYS A 16 -13.894 -7.468 -6.569 1.00 0.45 H new ATOM 0 HG2 LYS A 16 -11.606 -7.596 -6.637 1.00 0.43 H new ATOM 0 HG3 LYS A 16 -11.840 -7.764 -4.909 1.00 0.43 H new ATOM 0 HD2 LYS A 16 -10.230 -9.407 -5.788 1.00 1.03 H new ATOM 0 HD3 LYS A 16 -11.620 -10.180 -5.053 1.00 1.03 H new ATOM 0 HE2 LYS A 16 -10.956 -11.249 -7.202 1.00 1.81 H new ATOM 0 HE3 LYS A 16 -12.602 -10.651 -7.229 1.00 1.81 H new ATOM 0 HZ1 LYS A 16 -11.299 -10.123 -9.251 1.00 2.49 H new ATOM 0 HZ2 LYS A 16 -11.923 -8.743 -8.482 1.00 2.49 H new ATOM 0 HZ3 LYS A 16 -10.280 -9.137 -8.317 1.00 2.49 H new ATOM 271 N GLY A 17 -16.690 -7.972 -5.056 1.00 0.33 N ATOM 272 CA GLY A 17 -18.090 -8.208 -5.348 1.00 0.39 C ATOM 273 C GLY A 17 -18.941 -6.981 -5.115 1.00 0.26 C ATOM 274 O GLY A 17 -18.416 -5.899 -4.850 1.00 0.23 O ATOM 0 H GLY A 17 -16.469 -7.024 -4.750 1.00 0.33 H new ATOM 0 HA2 GLY A 17 -18.193 -8.527 -6.385 1.00 0.39 H new ATOM 0 HA3 GLY A 17 -18.456 -9.024 -4.725 1.00 0.39 H new ATOM 278 N GLU A 18 -20.252 -7.157 -5.184 1.00 0.28 N ATOM 279 CA GLU A 18 -21.186 -6.049 -5.016 1.00 0.23 C ATOM 280 C GLU A 18 -22.270 -6.390 -4.008 1.00 0.29 C ATOM 281 O GLU A 18 -22.383 -7.531 -3.558 1.00 0.49 O ATOM 282 CB GLU A 18 -21.856 -5.697 -6.348 1.00 0.46 C ATOM 283 CG GLU A 18 -20.893 -5.307 -7.452 1.00 0.70 C ATOM 284 CD GLU A 18 -21.528 -5.417 -8.820 1.00 1.17 C ATOM 285 OE1 GLU A 18 -22.215 -4.457 -9.228 1.00 1.69 O ATOM 286 OE2 GLU A 18 -21.323 -6.440 -9.508 1.00 1.69 O ATOM 0 H GLU A 18 -20.696 -8.059 -5.356 1.00 0.28 H new ATOM 0 HA GLU A 18 -20.610 -5.198 -4.654 1.00 0.23 H new ATOM 0 HB2 GLU A 18 -22.444 -6.552 -6.681 1.00 0.46 H new ATOM 0 HB3 GLU A 18 -22.553 -4.875 -6.184 1.00 0.46 H new ATOM 0 HG2 GLU A 18 -20.552 -4.284 -7.291 1.00 0.70 H new ATOM 0 HG3 GLU A 18 -20.012 -5.947 -7.408 1.00 0.70 H new ATOM 293 N THR A 19 -23.052 -5.380 -3.663 1.00 0.22 N ATOM 294 CA THR A 19 -24.176 -5.531 -2.760 1.00 0.32 C ATOM 295 C THR A 19 -25.023 -4.259 -2.810 1.00 0.29 C ATOM 296 O THR A 19 -24.529 -3.201 -3.211 1.00 0.31 O ATOM 297 CB THR A 19 -23.709 -5.832 -1.312 1.00 0.44 C ATOM 298 OG1 THR A 19 -24.832 -6.169 -0.483 1.00 0.58 O ATOM 299 CG2 THR A 19 -22.975 -4.637 -0.710 1.00 0.45 C ATOM 0 H THR A 19 -22.922 -4.428 -4.005 1.00 0.22 H new ATOM 0 HA THR A 19 -24.776 -6.383 -3.079 1.00 0.32 H new ATOM 0 HB THR A 19 -23.023 -6.678 -1.355 1.00 0.44 H new ATOM 0 HG1 THR A 19 -24.522 -6.358 0.427 1.00 0.58 H new ATOM 0 HG21 THR A 19 -22.660 -4.877 0.305 1.00 0.45 H new ATOM 0 HG22 THR A 19 -22.100 -4.405 -1.316 1.00 0.45 H new ATOM 0 HG23 THR A 19 -23.641 -3.774 -0.688 1.00 0.45 H new ATOM 307 N THR A 20 -26.302 -4.369 -2.479 1.00 0.27 N ATOM 308 CA THR A 20 -27.215 -3.234 -2.557 1.00 0.24 C ATOM 309 C THR A 20 -28.053 -3.104 -1.287 1.00 0.25 C ATOM 310 O THR A 20 -28.181 -4.054 -0.514 1.00 0.31 O ATOM 311 CB THR A 20 -28.159 -3.372 -3.776 1.00 0.30 C ATOM 312 OG1 THR A 20 -28.720 -4.692 -3.809 1.00 0.38 O ATOM 313 CG2 THR A 20 -27.431 -3.102 -5.092 1.00 0.32 C ATOM 0 H THR A 20 -26.733 -5.234 -2.153 1.00 0.27 H new ATOM 0 HA THR A 20 -26.605 -2.338 -2.669 1.00 0.24 H new ATOM 0 HB THR A 20 -28.949 -2.629 -3.666 1.00 0.30 H new ATOM 0 HG1 THR A 20 -29.318 -4.774 -4.581 1.00 0.38 H new ATOM 0 HG21 THR A 20 -28.129 -3.209 -5.922 1.00 0.32 H new ATOM 0 HG22 THR A 20 -27.029 -2.089 -5.084 1.00 0.32 H new ATOM 0 HG23 THR A 20 -26.615 -3.815 -5.209 1.00 0.32 H new ATOM 321 N THR A 21 -28.585 -1.911 -1.062 1.00 0.23 N ATOM 322 CA THR A 21 -29.458 -1.654 0.077 1.00 0.26 C ATOM 323 C THR A 21 -30.282 -0.403 -0.199 1.00 0.25 C ATOM 324 O THR A 21 -29.907 0.422 -1.043 1.00 0.26 O ATOM 325 CB THR A 21 -28.658 -1.483 1.400 1.00 0.31 C ATOM 326 OG1 THR A 21 -29.522 -1.686 2.527 1.00 0.38 O ATOM 327 CG2 THR A 21 -28.028 -0.084 1.503 1.00 0.28 C ATOM 0 H THR A 21 -28.426 -1.099 -1.658 1.00 0.23 H new ATOM 0 HA THR A 21 -30.112 -2.517 0.205 1.00 0.26 H new ATOM 0 HB THR A 21 -27.860 -2.226 1.398 1.00 0.31 H new ATOM 0 HG1 THR A 21 -29.010 -1.578 3.355 1.00 0.38 H new ATOM 0 HG21 THR A 21 -27.477 -0.001 2.440 1.00 0.28 H new ATOM 0 HG22 THR A 21 -27.347 0.071 0.666 1.00 0.28 H new ATOM 0 HG23 THR A 21 -28.813 0.672 1.476 1.00 0.28 H new ATOM 335 N GLU A 22 -31.430 -0.290 0.449 1.00 0.31 N ATOM 336 CA GLU A 22 -32.282 0.873 0.267 1.00 0.36 C ATOM 337 C GLU A 22 -32.124 1.833 1.445 1.00 0.36 C ATOM 338 O GLU A 22 -32.148 1.421 2.600 1.00 0.58 O ATOM 339 CB GLU A 22 -33.765 0.469 0.073 1.00 0.51 C ATOM 340 CG GLU A 22 -34.159 -0.873 0.686 1.00 1.16 C ATOM 341 CD GLU A 22 -34.029 -0.909 2.196 1.00 1.77 C ATOM 342 OE1 GLU A 22 -33.149 -1.646 2.696 1.00 2.26 O ATOM 343 OE2 GLU A 22 -34.799 -0.200 2.880 1.00 2.24 O ATOM 0 H GLU A 22 -31.792 -0.985 1.102 1.00 0.31 H new ATOM 0 HA GLU A 22 -31.966 1.384 -0.643 1.00 0.36 H new ATOM 0 HB2 GLU A 22 -34.396 1.246 0.504 1.00 0.51 H new ATOM 0 HB3 GLU A 22 -33.980 0.440 -0.995 1.00 0.51 H new ATOM 0 HG2 GLU A 22 -35.189 -1.100 0.412 1.00 1.16 H new ATOM 0 HG3 GLU A 22 -33.535 -1.657 0.257 1.00 1.16 H new ATOM 350 N ALA A 23 -31.895 3.106 1.154 1.00 0.26 N ATOM 351 CA ALA A 23 -31.743 4.102 2.210 1.00 0.28 C ATOM 352 C ALA A 23 -32.359 5.423 1.767 1.00 0.31 C ATOM 353 O ALA A 23 -32.531 5.655 0.571 1.00 0.38 O ATOM 354 CB ALA A 23 -30.269 4.291 2.565 1.00 0.32 C ATOM 0 H ALA A 23 -31.811 3.473 0.206 1.00 0.26 H new ATOM 0 HA ALA A 23 -32.263 3.750 3.101 1.00 0.28 H new ATOM 0 HB1 ALA A 23 -30.178 5.037 3.354 1.00 0.32 H new ATOM 0 HB2 ALA A 23 -29.854 3.344 2.911 1.00 0.32 H new ATOM 0 HB3 ALA A 23 -29.723 4.626 1.683 1.00 0.32 H new ATOM 360 N VAL A 24 -32.727 6.274 2.717 1.00 0.35 N ATOM 361 CA VAL A 24 -33.326 7.563 2.386 1.00 0.45 C ATOM 362 C VAL A 24 -32.277 8.677 2.341 1.00 0.49 C ATOM 363 O VAL A 24 -32.595 9.826 2.036 1.00 0.74 O ATOM 364 CB VAL A 24 -34.423 7.947 3.398 1.00 0.56 C ATOM 365 CG1 VAL A 24 -35.537 6.918 3.405 1.00 1.05 C ATOM 366 CG2 VAL A 24 -33.842 8.081 4.788 1.00 1.09 C ATOM 0 H VAL A 24 -32.623 6.098 3.716 1.00 0.35 H new ATOM 0 HA VAL A 24 -33.771 7.455 1.397 1.00 0.45 H new ATOM 0 HB VAL A 24 -34.837 8.908 3.092 1.00 0.56 H new ATOM 0 HG11 VAL A 24 -36.299 7.211 4.127 1.00 1.05 H new ATOM 0 HG12 VAL A 24 -35.982 6.857 2.412 1.00 1.05 H new ATOM 0 HG13 VAL A 24 -35.131 5.945 3.681 1.00 1.05 H new ATOM 0 HG21 VAL A 24 -34.632 8.353 5.488 1.00 1.09 H new ATOM 0 HG22 VAL A 24 -33.400 7.132 5.091 1.00 1.09 H new ATOM 0 HG23 VAL A 24 -33.075 8.855 4.789 1.00 1.09 H new ATOM 376 N ASP A 25 -31.028 8.327 2.627 1.00 0.39 N ATOM 377 CA ASP A 25 -29.940 9.299 2.640 1.00 0.45 C ATOM 378 C ASP A 25 -28.609 8.611 2.368 1.00 0.39 C ATOM 379 O ASP A 25 -28.463 7.413 2.606 1.00 0.35 O ATOM 380 CB ASP A 25 -29.885 10.037 3.982 1.00 0.54 C ATOM 381 CG ASP A 25 -28.631 10.868 4.144 1.00 1.25 C ATOM 382 OD1 ASP A 25 -28.474 11.843 3.384 1.00 1.51 O ATOM 383 OD2 ASP A 25 -27.824 10.580 5.058 1.00 2.13 O ATOM 0 H ASP A 25 -30.743 7.374 2.854 1.00 0.39 H new ATOM 0 HA ASP A 25 -30.128 10.028 1.852 1.00 0.45 H new ATOM 0 HB2 ASP A 25 -30.758 10.684 4.072 1.00 0.54 H new ATOM 0 HB3 ASP A 25 -29.941 9.311 4.793 1.00 0.54 H new ATOM 388 N ALA A 26 -27.642 9.388 1.905 1.00 0.44 N ATOM 389 CA ALA A 26 -26.329 8.867 1.550 1.00 0.46 C ATOM 390 C ALA A 26 -25.475 8.612 2.790 1.00 0.38 C ATOM 391 O ALA A 26 -24.868 7.548 2.923 1.00 0.37 O ATOM 392 CB ALA A 26 -25.625 9.835 0.607 1.00 0.59 C ATOM 0 H ALA A 26 -27.743 10.393 1.765 1.00 0.44 H new ATOM 0 HA ALA A 26 -26.468 7.911 1.045 1.00 0.46 H new ATOM 0 HB1 ALA A 26 -24.644 9.439 0.346 1.00 0.59 H new ATOM 0 HB2 ALA A 26 -26.220 9.958 -0.298 1.00 0.59 H new ATOM 0 HB3 ALA A 26 -25.508 10.801 1.098 1.00 0.59 H new ATOM 398 N ALA A 27 -25.505 9.543 3.740 1.00 0.39 N ATOM 399 CA ALA A 27 -24.700 9.420 4.953 1.00 0.38 C ATOM 400 C ALA A 27 -25.207 8.266 5.802 1.00 0.31 C ATOM 401 O ALA A 27 -24.445 7.605 6.506 1.00 0.32 O ATOM 402 CB ALA A 27 -24.725 10.722 5.749 1.00 0.48 C ATOM 0 H ALA A 27 -26.075 10.387 3.694 1.00 0.39 H new ATOM 0 HA ALA A 27 -23.668 9.216 4.667 1.00 0.38 H new ATOM 0 HB1 ALA A 27 -24.120 10.610 6.649 1.00 0.48 H new ATOM 0 HB2 ALA A 27 -24.321 11.530 5.138 1.00 0.48 H new ATOM 0 HB3 ALA A 27 -25.752 10.957 6.029 1.00 0.48 H new ATOM 408 N THR A 28 -26.505 8.023 5.697 1.00 0.31 N ATOM 409 CA THR A 28 -27.152 6.932 6.412 1.00 0.30 C ATOM 410 C THR A 28 -26.784 5.582 5.788 1.00 0.24 C ATOM 411 O THR A 28 -26.686 4.570 6.486 1.00 0.28 O ATOM 412 CB THR A 28 -28.688 7.109 6.409 1.00 0.36 C ATOM 413 OG1 THR A 28 -29.019 8.465 6.746 1.00 0.46 O ATOM 414 CG2 THR A 28 -29.342 6.169 7.415 1.00 0.45 C ATOM 0 H THR A 28 -27.138 8.574 5.116 1.00 0.31 H new ATOM 0 HA THR A 28 -26.798 6.952 7.443 1.00 0.30 H new ATOM 0 HB THR A 28 -29.059 6.872 5.412 1.00 0.36 H new ATOM 0 HG1 THR A 28 -29.984 8.538 6.898 1.00 0.46 H new ATOM 0 HG21 THR A 28 -30.423 6.311 7.396 1.00 0.45 H new ATOM 0 HG22 THR A 28 -29.107 5.137 7.155 1.00 0.45 H new ATOM 0 HG23 THR A 28 -28.965 6.386 8.414 1.00 0.45 H new ATOM 422 N ALA A 29 -26.496 5.589 4.487 1.00 0.21 N ATOM 423 CA ALA A 29 -26.140 4.363 3.779 1.00 0.22 C ATOM 424 C ALA A 29 -24.721 3.970 4.144 1.00 0.21 C ATOM 425 O ALA A 29 -24.408 2.790 4.308 1.00 0.25 O ATOM 426 CB ALA A 29 -26.272 4.556 2.275 1.00 0.28 C ATOM 0 H ALA A 29 -26.502 6.427 3.905 1.00 0.21 H new ATOM 0 HA ALA A 29 -26.822 3.566 4.075 1.00 0.22 H new ATOM 0 HB1 ALA A 29 -26.002 3.631 1.764 1.00 0.28 H new ATOM 0 HB2 ALA A 29 -27.301 4.819 2.031 1.00 0.28 H new ATOM 0 HB3 ALA A 29 -25.607 5.357 1.951 1.00 0.28 H new ATOM 432 N GLU A 30 -23.877 4.991 4.274 1.00 0.19 N ATOM 433 CA GLU A 30 -22.496 4.825 4.696 1.00 0.20 C ATOM 434 C GLU A 30 -22.431 3.993 5.974 1.00 0.20 C ATOM 435 O GLU A 30 -21.891 2.892 5.979 1.00 0.23 O ATOM 436 CB GLU A 30 -21.881 6.199 4.975 1.00 0.24 C ATOM 437 CG GLU A 30 -20.388 6.156 5.222 1.00 0.35 C ATOM 438 CD GLU A 30 -19.912 7.321 6.069 1.00 0.50 C ATOM 439 OE1 GLU A 30 -19.705 7.128 7.292 1.00 1.14 O ATOM 440 OE2 GLU A 30 -19.764 8.431 5.530 1.00 1.29 O ATOM 0 H GLU A 30 -24.137 5.960 4.088 1.00 0.19 H new ATOM 0 HA GLU A 30 -21.946 4.318 3.903 1.00 0.20 H new ATOM 0 HB2 GLU A 30 -22.082 6.856 4.129 1.00 0.24 H new ATOM 0 HB3 GLU A 30 -22.372 6.638 5.844 1.00 0.24 H new ATOM 0 HG2 GLU A 30 -20.131 5.220 5.718 1.00 0.35 H new ATOM 0 HG3 GLU A 30 -19.863 6.166 4.267 1.00 0.35 H new ATOM 447 N LYS A 31 -23.078 4.507 7.021 1.00 0.20 N ATOM 448 CA LYS A 31 -23.083 3.892 8.347 1.00 0.24 C ATOM 449 C LYS A 31 -23.436 2.400 8.301 1.00 0.22 C ATOM 450 O LYS A 31 -22.745 1.579 8.901 1.00 0.26 O ATOM 451 CB LYS A 31 -24.060 4.639 9.271 1.00 0.29 C ATOM 452 CG LYS A 31 -23.890 6.152 9.259 1.00 0.39 C ATOM 453 CD LYS A 31 -22.439 6.567 9.417 1.00 1.10 C ATOM 454 CE LYS A 31 -22.292 8.076 9.386 1.00 1.86 C ATOM 455 NZ LYS A 31 -20.867 8.487 9.336 1.00 2.42 N ATOM 0 H LYS A 31 -23.618 5.371 6.971 1.00 0.20 H new ATOM 0 HA LYS A 31 -22.070 3.970 8.742 1.00 0.24 H new ATOM 0 HB2 LYS A 31 -25.081 4.396 8.976 1.00 0.29 H new ATOM 0 HB3 LYS A 31 -23.928 4.277 10.291 1.00 0.29 H new ATOM 0 HG2 LYS A 31 -24.281 6.552 8.324 1.00 0.39 H new ATOM 0 HG3 LYS A 31 -24.481 6.589 10.064 1.00 0.39 H new ATOM 0 HD2 LYS A 31 -22.048 6.181 10.358 1.00 1.10 H new ATOM 0 HD3 LYS A 31 -21.843 6.125 8.619 1.00 1.10 H new ATOM 0 HE2 LYS A 31 -22.817 8.475 8.518 1.00 1.86 H new ATOM 0 HE3 LYS A 31 -22.764 8.506 10.269 1.00 1.86 H new ATOM 0 HZ1 LYS A 31 -20.807 9.513 9.180 1.00 2.42 H new ATOM 0 HZ2 LYS A 31 -20.404 8.246 10.236 1.00 2.42 H new ATOM 0 HZ3 LYS A 31 -20.389 7.990 8.557 1.00 2.42 H new ATOM 469 N VAL A 32 -24.449 2.044 7.517 1.00 0.20 N ATOM 470 CA VAL A 32 -24.899 0.657 7.443 1.00 0.22 C ATOM 471 C VAL A 32 -23.899 -0.206 6.676 1.00 0.18 C ATOM 472 O VAL A 32 -23.508 -1.279 7.138 1.00 0.20 O ATOM 473 CB VAL A 32 -26.287 0.552 6.777 1.00 0.25 C ATOM 474 CG1 VAL A 32 -26.756 -0.895 6.734 1.00 0.30 C ATOM 475 CG2 VAL A 32 -27.297 1.428 7.503 1.00 0.29 C ATOM 0 H VAL A 32 -24.971 2.692 6.927 1.00 0.20 H new ATOM 0 HA VAL A 32 -24.972 0.290 8.467 1.00 0.22 H new ATOM 0 HB VAL A 32 -26.202 0.910 5.751 1.00 0.25 H new ATOM 0 HG11 VAL A 32 -27.736 -0.946 6.261 1.00 0.30 H new ATOM 0 HG12 VAL A 32 -26.045 -1.491 6.161 1.00 0.30 H new ATOM 0 HG13 VAL A 32 -26.823 -1.286 7.749 1.00 0.30 H new ATOM 0 HG21 VAL A 32 -28.269 1.340 7.018 1.00 0.29 H new ATOM 0 HG22 VAL A 32 -27.378 1.106 8.541 1.00 0.29 H new ATOM 0 HG23 VAL A 32 -26.968 2.467 7.470 1.00 0.29 H new ATOM 485 N PHE A 33 -23.450 0.283 5.530 1.00 0.16 N ATOM 486 CA PHE A 33 -22.497 -0.463 4.712 1.00 0.15 C ATOM 487 C PHE A 33 -21.123 -0.548 5.375 1.00 0.15 C ATOM 488 O PHE A 33 -20.326 -1.420 5.036 1.00 0.17 O ATOM 489 CB PHE A 33 -22.343 0.149 3.317 1.00 0.17 C ATOM 490 CG PHE A 33 -23.304 -0.384 2.293 1.00 0.17 C ATOM 491 CD1 PHE A 33 -23.646 -1.728 2.278 1.00 1.09 C ATOM 492 CD2 PHE A 33 -23.849 0.452 1.328 1.00 1.01 C ATOM 493 CE1 PHE A 33 -24.513 -2.224 1.325 1.00 1.11 C ATOM 494 CE2 PHE A 33 -24.719 -0.042 0.375 1.00 1.02 C ATOM 495 CZ PHE A 33 -25.050 -1.383 0.374 1.00 0.29 C ATOM 0 H PHE A 33 -23.726 1.186 5.145 1.00 0.16 H new ATOM 0 HA PHE A 33 -22.906 -1.469 4.615 1.00 0.15 H new ATOM 0 HB2 PHE A 33 -22.473 1.229 3.391 1.00 0.17 H new ATOM 0 HB3 PHE A 33 -21.325 -0.026 2.968 1.00 0.17 H new ATOM 0 HD1 PHE A 33 -23.230 -2.394 3.020 1.00 1.09 H new ATOM 0 HD2 PHE A 33 -23.590 1.500 1.322 1.00 1.01 H new ATOM 0 HE1 PHE A 33 -24.771 -3.273 1.325 1.00 1.11 H new ATOM 0 HE2 PHE A 33 -25.140 0.619 -0.368 1.00 1.02 H new ATOM 0 HZ PHE A 33 -25.729 -1.772 -0.371 1.00 0.29 H new ATOM 505 N LYS A 34 -20.841 0.345 6.314 1.00 0.16 N ATOM 506 CA LYS A 34 -19.567 0.332 7.001 1.00 0.20 C ATOM 507 C LYS A 34 -19.509 -0.840 7.963 1.00 0.20 C ATOM 508 O LYS A 34 -18.506 -1.546 8.025 1.00 0.22 O ATOM 509 CB LYS A 34 -19.339 1.660 7.728 1.00 0.29 C ATOM 510 CG LYS A 34 -19.041 2.816 6.784 1.00 0.43 C ATOM 511 CD LYS A 34 -18.319 3.952 7.491 1.00 0.38 C ATOM 512 CE LYS A 34 -16.888 3.565 7.825 1.00 0.46 C ATOM 513 NZ LYS A 34 -16.136 4.683 8.457 1.00 1.09 N ATOM 0 H LYS A 34 -21.478 1.083 6.613 1.00 0.16 H new ATOM 0 HA LYS A 34 -18.768 0.212 6.270 1.00 0.20 H new ATOM 0 HB2 LYS A 34 -20.223 1.900 8.319 1.00 0.29 H new ATOM 0 HB3 LYS A 34 -18.510 1.547 8.427 1.00 0.29 H new ATOM 0 HG2 LYS A 34 -18.432 2.459 5.954 1.00 0.43 H new ATOM 0 HG3 LYS A 34 -19.973 3.187 6.359 1.00 0.43 H new ATOM 0 HD2 LYS A 34 -18.321 4.839 6.857 1.00 0.38 H new ATOM 0 HD3 LYS A 34 -18.852 4.213 8.406 1.00 0.38 H new ATOM 0 HE2 LYS A 34 -16.893 2.707 8.497 1.00 0.46 H new ATOM 0 HE3 LYS A 34 -16.376 3.254 6.915 1.00 0.46 H new ATOM 0 HZ1 LYS A 34 -15.166 4.374 8.667 1.00 1.09 H new ATOM 0 HZ2 LYS A 34 -16.108 5.494 7.806 1.00 1.09 H new ATOM 0 HZ3 LYS A 34 -16.609 4.964 9.340 1.00 1.09 H new ATOM 527 N GLN A 35 -20.607 -1.068 8.679 1.00 0.21 N ATOM 528 CA GLN A 35 -20.718 -2.227 9.554 1.00 0.24 C ATOM 529 C GLN A 35 -20.745 -3.492 8.694 1.00 0.21 C ATOM 530 O GLN A 35 -20.258 -4.549 9.097 1.00 0.24 O ATOM 531 CB GLN A 35 -21.984 -2.139 10.420 1.00 0.32 C ATOM 532 CG GLN A 35 -22.095 -3.250 11.457 1.00 0.43 C ATOM 533 CD GLN A 35 -20.986 -3.212 12.491 1.00 1.28 C ATOM 534 OE1 GLN A 35 -20.479 -2.146 12.845 1.00 2.20 O ATOM 535 NE2 GLN A 35 -20.594 -4.380 12.976 1.00 1.82 N ATOM 0 H GLN A 35 -21.430 -0.466 8.669 1.00 0.21 H new ATOM 0 HA GLN A 35 -19.860 -2.256 10.226 1.00 0.24 H new ATOM 0 HB2 GLN A 35 -21.999 -1.176 10.930 1.00 0.32 H new ATOM 0 HB3 GLN A 35 -22.860 -2.170 9.772 1.00 0.32 H new ATOM 0 HG2 GLN A 35 -23.058 -3.172 11.962 1.00 0.43 H new ATOM 0 HG3 GLN A 35 -22.078 -4.215 10.950 1.00 0.43 H new ATOM 0 HE21 GLN A 35 -21.040 -5.240 12.657 1.00 1.82 H new ATOM 0 HE22 GLN A 35 -19.846 -4.420 13.669 1.00 1.82 H new ATOM 544 N TYR A 36 -21.282 -3.350 7.484 1.00 0.19 N ATOM 545 CA TYR A 36 -21.339 -4.447 6.529 1.00 0.18 C ATOM 546 C TYR A 36 -19.933 -4.812 6.054 1.00 0.17 C ATOM 547 O TYR A 36 -19.535 -5.978 6.092 1.00 0.19 O ATOM 548 CB TYR A 36 -22.219 -4.063 5.330 1.00 0.19 C ATOM 549 CG TYR A 36 -22.083 -5.001 4.150 1.00 0.21 C ATOM 550 CD1 TYR A 36 -21.238 -4.710 3.091 1.00 1.21 C ATOM 551 CD2 TYR A 36 -22.816 -6.179 4.100 1.00 1.11 C ATOM 552 CE1 TYR A 36 -21.128 -5.568 2.012 1.00 1.24 C ATOM 553 CE2 TYR A 36 -22.714 -7.039 3.033 1.00 1.12 C ATOM 554 CZ TYR A 36 -21.800 -6.714 1.982 1.00 0.34 C ATOM 555 OH TYR A 36 -21.767 -7.588 0.916 1.00 0.42 O ATOM 0 H TYR A 36 -21.686 -2.478 7.143 1.00 0.19 H new ATOM 0 HA TYR A 36 -21.777 -5.314 7.023 1.00 0.18 H new ATOM 0 HB2 TYR A 36 -23.261 -4.042 5.648 1.00 0.19 H new ATOM 0 HB3 TYR A 36 -21.962 -3.053 5.011 1.00 0.19 H new ATOM 0 HD1 TYR A 36 -20.657 -3.800 3.109 1.00 1.21 H new ATOM 0 HD2 TYR A 36 -23.480 -6.424 4.916 1.00 1.11 H new ATOM 0 HE1 TYR A 36 -20.488 -5.303 1.183 1.00 1.24 H new ATOM 0 HE2 TYR A 36 -23.310 -7.939 2.989 1.00 1.12 H new ATOM 0 HH TYR A 36 -22.333 -8.364 1.111 1.00 0.42 H new ATOM 565 N ALA A 37 -19.190 -3.811 5.585 1.00 0.15 N ATOM 566 CA ALA A 37 -17.829 -4.020 5.104 1.00 0.16 C ATOM 567 C ALA A 37 -16.942 -4.479 6.252 1.00 0.18 C ATOM 568 O ALA A 37 -16.074 -5.334 6.081 1.00 0.22 O ATOM 569 CB ALA A 37 -17.282 -2.743 4.478 1.00 0.17 C ATOM 0 H ALA A 37 -19.511 -2.844 5.529 1.00 0.15 H new ATOM 0 HA ALA A 37 -17.839 -4.794 4.337 1.00 0.16 H new ATOM 0 HB1 ALA A 37 -16.266 -2.917 4.125 1.00 0.17 H new ATOM 0 HB2 ALA A 37 -17.913 -2.450 3.639 1.00 0.17 H new ATOM 0 HB3 ALA A 37 -17.276 -1.947 5.222 1.00 0.17 H new ATOM 575 N ASN A 38 -17.213 -3.926 7.431 1.00 0.20 N ATOM 576 CA ASN A 38 -16.498 -4.291 8.656 1.00 0.26 C ATOM 577 C ASN A 38 -16.600 -5.789 8.912 1.00 0.28 C ATOM 578 O ASN A 38 -15.601 -6.457 9.185 1.00 0.36 O ATOM 579 CB ASN A 38 -17.083 -3.534 9.867 1.00 0.31 C ATOM 580 CG ASN A 38 -16.429 -3.933 11.186 1.00 0.44 C ATOM 581 OD1 ASN A 38 -15.422 -3.350 11.599 1.00 1.03 O ATOM 582 ND2 ASN A 38 -17.002 -4.923 11.866 1.00 1.39 N ATOM 0 H ASN A 38 -17.931 -3.215 7.567 1.00 0.20 H new ATOM 0 HA ASN A 38 -15.451 -4.018 8.526 1.00 0.26 H new ATOM 0 HB2 ASN A 38 -16.958 -2.462 9.714 1.00 0.31 H new ATOM 0 HB3 ASN A 38 -18.155 -3.725 9.926 1.00 0.31 H new ATOM 0 HD21 ASN A 38 -16.610 -5.222 12.759 1.00 1.39 H new ATOM 0 HD22 ASN A 38 -17.833 -5.382 11.495 1.00 1.39 H new ATOM 589 N ASP A 39 -17.810 -6.313 8.758 1.00 0.30 N ATOM 590 CA ASP A 39 -18.084 -7.721 9.024 1.00 0.38 C ATOM 591 C ASP A 39 -17.506 -8.602 7.922 1.00 0.33 C ATOM 592 O ASP A 39 -17.252 -9.787 8.128 1.00 0.41 O ATOM 593 CB ASP A 39 -19.597 -7.948 9.138 1.00 0.53 C ATOM 594 CG ASP A 39 -19.946 -9.213 9.894 1.00 1.14 C ATOM 595 OD1 ASP A 39 -20.200 -10.253 9.254 1.00 1.78 O ATOM 596 OD2 ASP A 39 -19.986 -9.162 11.142 1.00 1.77 O ATOM 0 H ASP A 39 -18.623 -5.780 8.448 1.00 0.30 H new ATOM 0 HA ASP A 39 -17.608 -7.993 9.966 1.00 0.38 H new ATOM 0 HB2 ASP A 39 -20.051 -7.094 9.640 1.00 0.53 H new ATOM 0 HB3 ASP A 39 -20.029 -7.997 8.138 1.00 0.53 H new ATOM 601 N ASN A 40 -17.244 -7.997 6.768 1.00 0.28 N ATOM 602 CA ASN A 40 -16.702 -8.724 5.626 1.00 0.34 C ATOM 603 C ASN A 40 -15.183 -8.686 5.630 1.00 0.32 C ATOM 604 O ASN A 40 -14.533 -9.422 4.888 1.00 0.46 O ATOM 605 CB ASN A 40 -17.237 -8.147 4.310 1.00 0.42 C ATOM 606 CG ASN A 40 -18.562 -8.757 3.889 1.00 0.92 C ATOM 607 OD1 ASN A 40 -18.591 -9.772 3.193 1.00 1.78 O ATOM 608 ND2 ASN A 40 -19.666 -8.138 4.287 1.00 0.78 N ATOM 0 H ASN A 40 -17.399 -7.003 6.599 1.00 0.28 H new ATOM 0 HA ASN A 40 -17.024 -9.762 5.710 1.00 0.34 H new ATOM 0 HB2 ASN A 40 -17.357 -7.069 4.415 1.00 0.42 H new ATOM 0 HB3 ASN A 40 -16.501 -8.311 3.522 1.00 0.42 H new ATOM 0 HD21 ASN A 40 -20.580 -8.501 4.017 1.00 0.78 H new ATOM 0 HD22 ASN A 40 -19.601 -7.299 4.863 1.00 0.78 H new ATOM 615 N GLY A 41 -14.629 -7.831 6.478 1.00 0.25 N ATOM 616 CA GLY A 41 -13.191 -7.714 6.598 1.00 0.33 C ATOM 617 C GLY A 41 -12.603 -6.661 5.674 1.00 0.28 C ATOM 618 O GLY A 41 -11.385 -6.580 5.523 1.00 0.37 O ATOM 0 H GLY A 41 -15.157 -7.210 7.091 1.00 0.25 H new ATOM 0 HA2 GLY A 41 -12.937 -7.468 7.629 1.00 0.33 H new ATOM 0 HA3 GLY A 41 -12.734 -8.679 6.378 1.00 0.33 H new ATOM 622 N VAL A 42 -13.462 -5.837 5.082 1.00 0.23 N ATOM 623 CA VAL A 42 -13.017 -4.804 4.165 1.00 0.26 C ATOM 624 C VAL A 42 -12.950 -3.448 4.863 1.00 0.36 C ATOM 625 O VAL A 42 -13.914 -3.015 5.504 1.00 0.46 O ATOM 626 CB VAL A 42 -13.953 -4.709 2.940 1.00 0.28 C ATOM 627 CG1 VAL A 42 -13.417 -3.699 1.934 1.00 0.35 C ATOM 628 CG2 VAL A 42 -14.107 -6.074 2.296 1.00 0.29 C ATOM 0 H VAL A 42 -14.472 -5.868 5.224 1.00 0.23 H new ATOM 0 HA VAL A 42 -12.018 -5.078 3.825 1.00 0.26 H new ATOM 0 HB VAL A 42 -14.933 -4.368 3.274 1.00 0.28 H new ATOM 0 HG11 VAL A 42 -14.090 -3.646 1.078 1.00 0.35 H new ATOM 0 HG12 VAL A 42 -13.350 -2.718 2.404 1.00 0.35 H new ATOM 0 HG13 VAL A 42 -12.427 -4.009 1.599 1.00 0.35 H new ATOM 0 HG21 VAL A 42 -14.769 -5.997 1.433 1.00 0.29 H new ATOM 0 HG22 VAL A 42 -13.131 -6.436 1.973 1.00 0.29 H new ATOM 0 HG23 VAL A 42 -14.532 -6.771 3.018 1.00 0.29 H new ATOM 638 N ASP A 43 -11.817 -2.790 4.716 1.00 0.42 N ATOM 639 CA ASP A 43 -11.584 -1.480 5.316 1.00 0.55 C ATOM 640 C ASP A 43 -10.614 -0.683 4.443 1.00 0.47 C ATOM 641 O ASP A 43 -9.396 -0.881 4.511 1.00 0.68 O ATOM 642 CB ASP A 43 -11.018 -1.621 6.735 1.00 0.80 C ATOM 643 CG ASP A 43 -10.815 -0.280 7.417 1.00 1.29 C ATOM 644 OD1 ASP A 43 -11.704 0.593 7.313 1.00 1.86 O ATOM 645 OD2 ASP A 43 -9.772 -0.107 8.089 1.00 1.80 O ATOM 0 H ASP A 43 -11.027 -3.145 4.177 1.00 0.42 H new ATOM 0 HA ASP A 43 -12.535 -0.952 5.380 1.00 0.55 H new ATOM 0 HB2 ASP A 43 -11.695 -2.230 7.334 1.00 0.80 H new ATOM 0 HB3 ASP A 43 -10.066 -2.151 6.692 1.00 0.80 H new ATOM 650 N GLY A 44 -11.153 0.210 3.619 1.00 0.43 N ATOM 651 CA GLY A 44 -10.340 0.959 2.686 1.00 0.37 C ATOM 652 C GLY A 44 -10.937 2.317 2.373 1.00 0.34 C ATOM 653 O GLY A 44 -11.833 2.775 3.083 1.00 0.38 O ATOM 0 H GLY A 44 -12.149 0.428 3.583 1.00 0.43 H new ATOM 0 HA2 GLY A 44 -9.340 1.090 3.100 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -10.231 0.390 1.763 1.00 0.37 H new ATOM 657 N GLU A 45 -10.392 2.973 1.352 1.00 0.34 N ATOM 658 CA GLU A 45 -10.845 4.303 0.934 1.00 0.35 C ATOM 659 C GLU A 45 -12.350 4.308 0.663 1.00 0.29 C ATOM 660 O GLU A 45 -12.911 3.306 0.212 1.00 0.43 O ATOM 661 CB GLU A 45 -10.106 4.731 -0.339 1.00 0.45 C ATOM 662 CG GLU A 45 -8.624 4.386 -0.341 1.00 1.27 C ATOM 663 CD GLU A 45 -7.797 5.321 0.511 1.00 2.01 C ATOM 664 OE1 GLU A 45 -7.993 5.326 1.745 1.00 2.79 O ATOM 665 OE2 GLU A 45 -6.954 6.051 -0.039 1.00 2.57 O ATOM 0 H GLU A 45 -9.626 2.602 0.790 1.00 0.34 H new ATOM 0 HA GLU A 45 -10.629 5.002 1.742 1.00 0.35 H new ATOM 0 HB2 GLU A 45 -10.580 4.257 -1.198 1.00 0.45 H new ATOM 0 HB3 GLU A 45 -10.218 5.808 -0.467 1.00 0.45 H new ATOM 0 HG2 GLU A 45 -8.494 3.365 0.019 1.00 1.27 H new ATOM 0 HG3 GLU A 45 -8.252 4.413 -1.365 1.00 1.27 H new ATOM 672 N TRP A 46 -12.979 5.454 0.870 1.00 0.22 N ATOM 673 CA TRP A 46 -14.424 5.589 0.684 1.00 0.24 C ATOM 674 C TRP A 46 -14.758 6.736 -0.259 1.00 0.28 C ATOM 675 O TRP A 46 -14.532 7.903 0.067 1.00 0.41 O ATOM 676 CB TRP A 46 -15.129 5.813 2.036 1.00 0.31 C ATOM 677 CG TRP A 46 -15.554 4.538 2.704 1.00 0.29 C ATOM 678 CD1 TRP A 46 -14.734 3.656 3.347 1.00 0.32 C ATOM 679 CD2 TRP A 46 -16.889 3.997 2.812 1.00 0.28 C ATOM 680 NE1 TRP A 46 -15.457 2.601 3.831 1.00 0.34 N ATOM 681 CE2 TRP A 46 -16.778 2.785 3.522 1.00 0.31 C ATOM 682 CE3 TRP A 46 -18.166 4.405 2.378 1.00 0.29 C ATOM 683 CZ2 TRP A 46 -17.876 1.984 3.803 1.00 0.35 C ATOM 684 CZ3 TRP A 46 -19.258 3.605 2.674 1.00 0.32 C ATOM 685 CH2 TRP A 46 -19.105 2.405 3.376 1.00 0.35 C ATOM 0 H TRP A 46 -12.513 6.311 1.168 1.00 0.22 H new ATOM 0 HA TRP A 46 -14.782 4.660 0.241 1.00 0.24 H new ATOM 0 HB2 TRP A 46 -14.459 6.357 2.701 1.00 0.31 H new ATOM 0 HB3 TRP A 46 -16.005 6.443 1.881 1.00 0.31 H new ATOM 0 HD1 TRP A 46 -13.666 3.775 3.458 1.00 0.32 H new ATOM 0 HE1 TRP A 46 -15.074 1.805 4.340 1.00 0.34 H new ATOM 0 HE3 TRP A 46 -18.291 5.324 1.825 1.00 0.29 H new ATOM 0 HZ2 TRP A 46 -17.763 1.056 4.343 1.00 0.35 H new ATOM 0 HZ3 TRP A 46 -20.244 3.913 2.357 1.00 0.32 H new ATOM 0 HH2 TRP A 46 -19.974 1.799 3.585 1.00 0.35 H new ATOM 696 N THR A 47 -15.289 6.405 -1.426 1.00 0.29 N ATOM 697 CA THR A 47 -15.695 7.408 -2.395 1.00 0.35 C ATOM 698 C THR A 47 -17.131 7.164 -2.860 1.00 0.31 C ATOM 699 O THR A 47 -17.620 6.034 -2.812 1.00 0.28 O ATOM 700 CB THR A 47 -14.743 7.437 -3.607 1.00 0.43 C ATOM 701 OG1 THR A 47 -14.243 6.116 -3.876 1.00 0.53 O ATOM 702 CG2 THR A 47 -13.586 8.389 -3.349 1.00 0.63 C ATOM 0 H THR A 47 -15.449 5.443 -1.725 1.00 0.29 H new ATOM 0 HA THR A 47 -15.646 8.378 -1.901 1.00 0.35 H new ATOM 0 HB THR A 47 -15.298 7.789 -4.476 1.00 0.43 H new ATOM 0 HG1 THR A 47 -13.641 6.145 -4.649 1.00 0.53 H new ATOM 0 HG21 THR A 47 -12.923 8.398 -4.214 1.00 0.63 H new ATOM 0 HG22 THR A 47 -13.973 9.394 -3.177 1.00 0.63 H new ATOM 0 HG23 THR A 47 -13.032 8.059 -2.470 1.00 0.63 H new ATOM 710 N TYR A 48 -17.808 8.221 -3.290 1.00 0.38 N ATOM 711 CA TYR A 48 -19.193 8.107 -3.722 1.00 0.37 C ATOM 712 C TYR A 48 -19.433 8.866 -5.025 1.00 0.42 C ATOM 713 O TYR A 48 -18.779 9.874 -5.295 1.00 0.51 O ATOM 714 CB TYR A 48 -20.124 8.630 -2.613 1.00 0.41 C ATOM 715 CG TYR A 48 -21.577 8.817 -3.012 1.00 0.44 C ATOM 716 CD1 TYR A 48 -22.156 10.080 -3.003 1.00 1.14 C ATOM 717 CD2 TYR A 48 -22.373 7.735 -3.384 1.00 1.15 C ATOM 718 CE1 TYR A 48 -23.480 10.264 -3.353 1.00 1.18 C ATOM 719 CE2 TYR A 48 -23.697 7.913 -3.735 1.00 1.18 C ATOM 720 CZ TYR A 48 -24.246 9.179 -3.718 1.00 0.61 C ATOM 721 OH TYR A 48 -25.568 9.359 -4.069 1.00 0.70 O ATOM 0 H TYR A 48 -17.422 9.163 -3.348 1.00 0.38 H new ATOM 0 HA TYR A 48 -19.411 7.056 -3.910 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -20.083 7.938 -1.772 1.00 0.41 H new ATOM 0 HB3 TYR A 48 -19.737 9.585 -2.259 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -21.560 10.934 -2.717 1.00 1.14 H new ATOM 0 HD2 TYR A 48 -21.948 6.742 -3.398 1.00 1.15 H new ATOM 0 HE1 TYR A 48 -23.912 11.254 -3.340 1.00 1.18 H new ATOM 0 HE2 TYR A 48 -24.300 7.064 -4.022 1.00 1.18 H new ATOM 0 HH TYR A 48 -25.669 10.215 -4.536 1.00 0.70 H new ATOM 731 N ASP A 49 -20.374 8.374 -5.823 1.00 0.42 N ATOM 732 CA ASP A 49 -20.766 9.054 -7.067 1.00 0.51 C ATOM 733 C ASP A 49 -22.287 9.178 -7.071 1.00 0.53 C ATOM 734 O ASP A 49 -22.985 8.192 -6.817 1.00 0.55 O ATOM 735 CB ASP A 49 -20.270 8.327 -8.340 1.00 0.57 C ATOM 736 CG ASP A 49 -20.602 9.111 -9.588 1.00 1.22 C ATOM 737 OD1 ASP A 49 -19.850 10.049 -9.927 1.00 2.07 O ATOM 738 OD2 ASP A 49 -21.624 8.797 -10.229 1.00 1.52 O ATOM 0 H ASP A 49 -20.883 7.509 -5.638 1.00 0.42 H new ATOM 0 HA ASP A 49 -20.293 10.036 -7.091 1.00 0.51 H new ATOM 0 HB2 ASP A 49 -19.192 8.177 -8.279 1.00 0.57 H new ATOM 0 HB3 ASP A 49 -20.726 7.339 -8.397 1.00 0.57 H new ATOM 743 N ASP A 50 -22.802 10.371 -7.358 1.00 0.68 N ATOM 744 CA ASP A 50 -24.239 10.635 -7.209 1.00 0.76 C ATOM 745 C ASP A 50 -25.011 10.269 -8.470 1.00 0.73 C ATOM 746 O ASP A 50 -26.241 10.203 -8.456 1.00 0.84 O ATOM 747 CB ASP A 50 -24.481 12.114 -6.837 1.00 1.00 C ATOM 748 CG ASP A 50 -25.931 12.413 -6.505 1.00 1.56 C ATOM 749 OD1 ASP A 50 -26.481 13.387 -7.060 1.00 2.28 O ATOM 750 OD2 ASP A 50 -26.521 11.684 -5.678 1.00 2.15 O ATOM 0 H ASP A 50 -22.256 11.165 -7.692 1.00 0.68 H new ATOM 0 HA ASP A 50 -24.609 10.004 -6.401 1.00 0.76 H new ATOM 0 HB2 ASP A 50 -23.857 12.374 -5.982 1.00 1.00 H new ATOM 0 HB3 ASP A 50 -24.166 12.748 -7.666 1.00 1.00 H new ATOM 755 N ALA A 51 -24.298 9.961 -9.542 1.00 0.70 N ATOM 756 CA ALA A 51 -24.949 9.612 -10.792 1.00 0.78 C ATOM 757 C ALA A 51 -25.512 8.192 -10.754 1.00 0.75 C ATOM 758 O ALA A 51 -26.537 7.912 -11.372 1.00 0.91 O ATOM 759 CB ALA A 51 -23.990 9.776 -11.957 1.00 0.91 C ATOM 0 H ALA A 51 -23.279 9.946 -9.571 1.00 0.70 H new ATOM 0 HA ALA A 51 -25.787 10.296 -10.931 1.00 0.78 H new ATOM 0 HB1 ALA A 51 -24.496 9.510 -12.885 1.00 0.91 H new ATOM 0 HB2 ALA A 51 -23.656 10.812 -12.010 1.00 0.91 H new ATOM 0 HB3 ALA A 51 -23.128 9.124 -11.814 1.00 0.91 H new ATOM 765 N THR A 52 -24.841 7.288 -10.042 1.00 0.63 N ATOM 766 CA THR A 52 -25.301 5.905 -9.958 1.00 0.65 C ATOM 767 C THR A 52 -25.563 5.448 -8.519 1.00 0.55 C ATOM 768 O THR A 52 -25.891 4.278 -8.293 1.00 0.62 O ATOM 769 CB THR A 52 -24.277 4.957 -10.605 1.00 0.74 C ATOM 770 OG1 THR A 52 -22.961 5.262 -10.117 1.00 1.06 O ATOM 771 CG2 THR A 52 -24.306 5.076 -12.124 1.00 1.19 C ATOM 0 H THR A 52 -23.987 7.486 -9.521 1.00 0.63 H new ATOM 0 HA THR A 52 -26.248 5.867 -10.497 1.00 0.65 H new ATOM 0 HB THR A 52 -24.538 3.933 -10.338 1.00 0.74 H new ATOM 0 HG1 THR A 52 -22.311 4.656 -10.529 1.00 1.06 H new ATOM 0 HG21 THR A 52 -23.573 4.395 -12.556 1.00 1.19 H new ATOM 0 HG22 THR A 52 -25.300 4.819 -12.490 1.00 1.19 H new ATOM 0 HG23 THR A 52 -24.066 6.099 -12.413 1.00 1.19 H new ATOM 779 N LYS A 53 -25.453 6.372 -7.555 1.00 0.47 N ATOM 780 CA LYS A 53 -25.652 6.038 -6.129 1.00 0.46 C ATOM 781 C LYS A 53 -24.753 4.873 -5.721 1.00 0.39 C ATOM 782 O LYS A 53 -25.207 3.901 -5.114 1.00 0.49 O ATOM 783 CB LYS A 53 -27.119 5.676 -5.842 1.00 0.59 C ATOM 784 CG LYS A 53 -27.975 6.844 -5.365 1.00 0.81 C ATOM 785 CD LYS A 53 -27.932 8.026 -6.317 1.00 0.87 C ATOM 786 CE LYS A 53 -28.804 9.163 -5.810 1.00 1.57 C ATOM 787 NZ LYS A 53 -28.705 10.370 -6.669 1.00 2.08 N ATOM 0 H LYS A 53 -25.229 7.352 -7.730 1.00 0.47 H new ATOM 0 HA LYS A 53 -25.389 6.920 -5.545 1.00 0.46 H new ATOM 0 HB2 LYS A 53 -27.562 5.263 -6.748 1.00 0.59 H new ATOM 0 HB3 LYS A 53 -27.145 4.890 -5.087 1.00 0.59 H new ATOM 0 HG2 LYS A 53 -29.007 6.511 -5.251 1.00 0.81 H new ATOM 0 HG3 LYS A 53 -27.633 7.162 -4.380 1.00 0.81 H new ATOM 0 HD2 LYS A 53 -26.904 8.372 -6.427 1.00 0.87 H new ATOM 0 HD3 LYS A 53 -28.271 7.715 -7.305 1.00 0.87 H new ATOM 0 HE2 LYS A 53 -29.842 8.832 -5.769 1.00 1.57 H new ATOM 0 HE3 LYS A 53 -28.510 9.418 -4.792 1.00 1.57 H new ATOM 0 HZ1 LYS A 53 -29.658 10.741 -6.857 1.00 2.08 H new ATOM 0 HZ2 LYS A 53 -28.140 11.096 -6.184 1.00 2.08 H new ATOM 0 HZ3 LYS A 53 -28.247 10.119 -7.569 1.00 2.08 H new ATOM 801 N THR A 54 -23.480 4.972 -6.050 1.00 0.34 N ATOM 802 CA THR A 54 -22.549 3.895 -5.768 1.00 0.31 C ATOM 803 C THR A 54 -21.459 4.332 -4.790 1.00 0.28 C ATOM 804 O THR A 54 -20.802 5.354 -4.995 1.00 0.35 O ATOM 805 CB THR A 54 -21.876 3.389 -7.064 1.00 0.38 C ATOM 806 OG1 THR A 54 -22.862 3.232 -8.098 1.00 0.51 O ATOM 807 CG2 THR A 54 -21.159 2.054 -6.826 1.00 0.41 C ATOM 0 H THR A 54 -23.067 5.783 -6.511 1.00 0.34 H new ATOM 0 HA THR A 54 -23.131 3.091 -5.317 1.00 0.31 H new ATOM 0 HB THR A 54 -21.136 4.127 -7.374 1.00 0.38 H new ATOM 0 HG1 THR A 54 -22.791 3.974 -8.734 1.00 0.51 H new ATOM 0 HG21 THR A 54 -20.694 1.720 -7.754 1.00 0.41 H new ATOM 0 HG22 THR A 54 -20.392 2.184 -6.062 1.00 0.41 H new ATOM 0 HG23 THR A 54 -21.880 1.308 -6.493 1.00 0.41 H new ATOM 815 N TYR A 55 -21.331 3.597 -3.696 1.00 0.21 N ATOM 816 CA TYR A 55 -20.244 3.814 -2.754 1.00 0.21 C ATOM 817 C TYR A 55 -19.142 2.806 -3.037 1.00 0.21 C ATOM 818 O TYR A 55 -19.418 1.640 -3.322 1.00 0.24 O ATOM 819 CB TYR A 55 -20.700 3.707 -1.286 1.00 0.24 C ATOM 820 CG TYR A 55 -21.254 4.994 -0.720 1.00 0.30 C ATOM 821 CD1 TYR A 55 -20.428 5.935 -0.121 1.00 1.14 C ATOM 822 CD2 TYR A 55 -22.616 5.268 -0.796 1.00 1.06 C ATOM 823 CE1 TYR A 55 -20.945 7.114 0.389 1.00 1.19 C ATOM 824 CE2 TYR A 55 -23.137 6.443 -0.290 1.00 1.12 C ATOM 825 CZ TYR A 55 -22.251 7.363 0.347 1.00 0.56 C ATOM 826 OH TYR A 55 -22.819 8.530 0.805 1.00 0.70 O ATOM 0 H TYR A 55 -21.968 2.843 -3.438 1.00 0.21 H new ATOM 0 HA TYR A 55 -19.877 4.831 -2.891 1.00 0.21 H new ATOM 0 HB2 TYR A 55 -21.461 2.930 -1.208 1.00 0.24 H new ATOM 0 HB3 TYR A 55 -19.855 3.388 -0.676 1.00 0.24 H new ATOM 0 HD1 TYR A 55 -19.367 5.745 -0.052 1.00 1.14 H new ATOM 0 HD2 TYR A 55 -23.277 4.550 -1.258 1.00 1.06 H new ATOM 0 HE1 TYR A 55 -20.278 7.842 0.827 1.00 1.19 H new ATOM 0 HE2 TYR A 55 -24.191 6.661 -0.375 1.00 1.12 H new ATOM 0 HH TYR A 55 -22.181 9.267 0.703 1.00 0.70 H new ATOM 836 N THR A 56 -17.905 3.263 -3.021 1.00 0.24 N ATOM 837 CA THR A 56 -16.777 2.396 -3.315 1.00 0.29 C ATOM 838 C THR A 56 -15.849 2.274 -2.119 1.00 0.25 C ATOM 839 O THR A 56 -15.422 3.282 -1.555 1.00 0.28 O ATOM 840 CB THR A 56 -15.976 2.933 -4.528 1.00 0.38 C ATOM 841 OG1 THR A 56 -16.234 4.337 -4.686 1.00 0.96 O ATOM 842 CG2 THR A 56 -16.341 2.198 -5.819 1.00 0.74 C ATOM 0 H THR A 56 -17.654 4.228 -2.808 1.00 0.24 H new ATOM 0 HA THR A 56 -17.178 1.411 -3.551 1.00 0.29 H new ATOM 0 HB THR A 56 -14.917 2.763 -4.334 1.00 0.38 H new ATOM 0 HG1 THR A 56 -15.470 4.850 -4.350 1.00 0.96 H new ATOM 0 HG21 THR A 56 -15.758 2.604 -6.646 1.00 0.74 H new ATOM 0 HG22 THR A 56 -16.122 1.136 -5.707 1.00 0.74 H new ATOM 0 HG23 THR A 56 -17.403 2.330 -6.025 1.00 0.74 H new ATOM 850 N VAL A 57 -15.558 1.038 -1.725 1.00 0.24 N ATOM 851 CA VAL A 57 -14.626 0.788 -0.638 1.00 0.23 C ATOM 852 C VAL A 57 -13.476 -0.074 -1.167 1.00 0.24 C ATOM 853 O VAL A 57 -13.650 -1.242 -1.520 1.00 0.30 O ATOM 854 CB VAL A 57 -15.300 0.149 0.630 1.00 0.25 C ATOM 855 CG1 VAL A 57 -15.873 -1.245 0.369 1.00 0.28 C ATOM 856 CG2 VAL A 57 -14.307 0.109 1.785 1.00 0.27 C ATOM 0 H VAL A 57 -15.955 0.197 -2.144 1.00 0.24 H new ATOM 0 HA VAL A 57 -14.242 1.748 -0.293 1.00 0.23 H new ATOM 0 HB VAL A 57 -16.145 0.785 0.893 1.00 0.25 H new ATOM 0 HG11 VAL A 57 -16.324 -1.630 1.284 1.00 0.28 H new ATOM 0 HG12 VAL A 57 -16.631 -1.186 -0.412 1.00 0.28 H new ATOM 0 HG13 VAL A 57 -15.073 -1.913 0.049 1.00 0.28 H new ATOM 0 HG21 VAL A 57 -14.783 -0.335 2.659 1.00 0.27 H new ATOM 0 HG22 VAL A 57 -13.441 -0.489 1.500 1.00 0.27 H new ATOM 0 HG23 VAL A 57 -13.985 1.123 2.023 1.00 0.27 H new ATOM 866 N THR A 58 -12.343 0.577 -1.394 1.00 0.26 N ATOM 867 CA THR A 58 -11.177 -0.087 -1.960 1.00 0.30 C ATOM 868 C THR A 58 -10.128 -0.376 -0.892 1.00 0.32 C ATOM 869 O THR A 58 -9.713 0.521 -0.158 1.00 0.36 O ATOM 870 CB THR A 58 -10.550 0.772 -3.079 1.00 0.40 C ATOM 871 OG1 THR A 58 -11.566 1.150 -4.014 1.00 0.41 O ATOM 872 CG2 THR A 58 -9.450 0.015 -3.809 1.00 0.52 C ATOM 0 H THR A 58 -12.207 1.568 -1.194 1.00 0.26 H new ATOM 0 HA THR A 58 -11.515 -1.035 -2.380 1.00 0.30 H new ATOM 0 HB THR A 58 -10.109 1.658 -2.621 1.00 0.40 H new ATOM 0 HG1 THR A 58 -11.170 1.697 -4.724 1.00 0.41 H new ATOM 0 HG21 THR A 58 -9.030 0.648 -4.590 1.00 0.52 H new ATOM 0 HG22 THR A 58 -8.666 -0.259 -3.103 1.00 0.52 H new ATOM 0 HG23 THR A 58 -9.865 -0.887 -4.257 1.00 0.52 H new ATOM 880 N GLU A 59 -9.675 -1.620 -0.850 1.00 0.35 N ATOM 881 CA GLU A 59 -8.663 -2.041 0.126 1.00 0.42 C ATOM 882 C GLU A 59 -7.353 -1.277 -0.109 1.00 0.53 C ATOM 883 O GLU A 59 -6.986 -1.013 -1.256 1.00 0.75 O ATOM 884 CB GLU A 59 -8.390 -3.555 0.047 1.00 0.44 C ATOM 885 CG GLU A 59 -9.456 -4.424 0.694 1.00 0.78 C ATOM 886 CD GLU A 59 -9.413 -4.333 2.205 1.00 1.79 C ATOM 887 OE1 GLU A 59 -8.539 -4.974 2.815 1.00 2.34 O ATOM 888 OE2 GLU A 59 -10.267 -3.632 2.784 1.00 2.56 O ATOM 0 H GLU A 59 -9.988 -2.361 -1.478 1.00 0.35 H new ATOM 0 HA GLU A 59 -9.053 -1.815 1.119 1.00 0.42 H new ATOM 0 HB2 GLU A 59 -8.294 -3.840 -1.001 1.00 0.44 H new ATOM 0 HB3 GLU A 59 -7.432 -3.764 0.523 1.00 0.44 H new ATOM 0 HG2 GLU A 59 -10.440 -4.117 0.339 1.00 0.78 H new ATOM 0 HG3 GLU A 59 -9.315 -5.461 0.388 1.00 0.78 H new ATOM 895 N GLY A 60 -6.641 -0.931 0.967 1.00 0.79 N ATOM 896 CA GLY A 60 -5.406 -0.178 0.828 1.00 0.91 C ATOM 897 C GLY A 60 -4.182 -1.048 1.015 1.00 1.48 C ATOM 898 O GLY A 60 -4.272 -2.275 0.978 1.00 2.32 O ATOM 0 H GLY A 60 -6.899 -1.159 1.927 1.00 0.79 H new ATOM 0 HA2 GLY A 60 -5.374 0.285 -0.158 1.00 0.91 H new ATOM 0 HA3 GLY A 60 -5.391 0.630 1.560 1.00 0.91 H new ATOM 902 N SER A 61 -3.035 -0.420 1.215 1.00 1.79 N ATOM 903 CA SER A 61 -1.791 -1.146 1.412 1.00 2.75 C ATOM 904 C SER A 61 -1.214 -0.853 2.793 1.00 2.84 C ATOM 905 O SER A 61 -0.927 0.298 3.119 1.00 3.18 O ATOM 906 CB SER A 61 -0.787 -0.771 0.324 1.00 3.69 C ATOM 907 OG SER A 61 -1.321 -1.024 -0.966 1.00 4.41 O ATOM 0 H SER A 61 -2.940 0.595 1.245 1.00 1.79 H new ATOM 0 HA SER A 61 -1.996 -2.214 1.346 1.00 2.75 H new ATOM 0 HB2 SER A 61 -0.525 0.283 0.413 1.00 3.69 H new ATOM 0 HB3 SER A 61 0.132 -1.341 0.460 1.00 3.69 H new ATOM 0 HG SER A 61 -0.662 -0.775 -1.647 1.00 4.41 H new ATOM 913 N GLY A 62 -1.086 -1.892 3.612 1.00 3.15 N ATOM 914 CA GLY A 62 -0.559 -1.725 4.950 1.00 3.63 C ATOM 915 C GLY A 62 0.279 -2.913 5.383 1.00 4.11 C ATOM 916 O GLY A 62 0.511 -3.832 4.594 1.00 4.49 O ATOM 0 H GLY A 62 -1.340 -2.850 3.370 1.00 3.15 H new ATOM 0 HA2 GLY A 62 0.047 -0.820 4.991 1.00 3.63 H new ATOM 0 HA3 GLY A 62 -1.383 -1.588 5.650 1.00 3.63 H new ATOM 920 N GLY A 63 0.712 -2.917 6.634 1.00 4.57 N ATOM 921 CA GLY A 63 1.526 -4.012 7.126 1.00 5.36 C ATOM 922 C GLY A 63 0.694 -5.155 7.671 1.00 5.56 C ATOM 923 O GLY A 63 1.160 -6.296 7.744 1.00 6.24 O ATOM 0 H GLY A 63 0.516 -2.185 7.317 1.00 4.57 H new ATOM 0 HA2 GLY A 63 2.159 -4.381 6.319 1.00 5.36 H new ATOM 0 HA3 GLY A 63 2.189 -3.644 7.909 1.00 5.36 H new ATOM 927 N ALA A 64 -0.528 -4.846 8.088 1.00 5.28 N ATOM 928 CA ALA A 64 -1.430 -5.857 8.618 1.00 5.82 C ATOM 929 C ALA A 64 -1.803 -6.856 7.536 1.00 6.16 C ATOM 930 O ALA A 64 -2.056 -6.478 6.390 1.00 6.23 O ATOM 931 CB ALA A 64 -2.674 -5.208 9.200 1.00 6.29 C ATOM 0 H ALA A 64 -0.916 -3.903 8.069 1.00 5.28 H new ATOM 0 HA ALA A 64 -0.918 -6.392 9.417 1.00 5.82 H new ATOM 0 HB1 ALA A 64 -3.337 -5.979 9.592 1.00 6.29 H new ATOM 0 HB2 ALA A 64 -2.388 -4.531 10.006 1.00 6.29 H new ATOM 0 HB3 ALA A 64 -3.190 -4.647 8.421 1.00 6.29 H new ATOM 937 N GLY A 65 -1.809 -8.125 7.902 1.00 6.75 N ATOM 938 CA GLY A 65 -2.122 -9.172 6.956 1.00 7.43 C ATOM 939 C GLY A 65 -1.045 -10.233 6.923 1.00 8.04 C ATOM 940 O GLY A 65 -1.334 -11.418 6.765 1.00 8.41 O ATOM 0 H GLY A 65 -1.601 -8.451 8.846 1.00 6.75 H new ATOM 0 HA2 GLY A 65 -3.076 -9.629 7.221 1.00 7.43 H new ATOM 0 HA3 GLY A 65 -2.240 -8.741 5.962 1.00 7.43 H new ATOM 944 N GLY A 66 0.204 -9.800 7.060 1.00 8.36 N ATOM 945 CA GLY A 66 1.309 -10.741 7.086 1.00 9.12 C ATOM 946 C GLY A 66 1.378 -11.471 8.412 1.00 9.70 C ATOM 947 O GLY A 66 1.582 -12.685 8.453 1.00 10.44 O ATOM 0 H GLY A 66 0.470 -8.820 7.153 1.00 8.36 H new ATOM 0 HA2 GLY A 66 1.195 -11.462 6.277 1.00 9.12 H new ATOM 0 HA3 GLY A 66 2.245 -10.211 6.911 1.00 9.12 H new ATOM 951 N GLN A 67 1.145 -10.714 9.490 1.00 9.54 N ATOM 952 CA GLN A 67 1.111 -11.238 10.862 1.00 10.26 C ATOM 953 C GLN A 67 2.472 -11.768 11.311 1.00 10.54 C ATOM 954 O GLN A 67 3.408 -11.889 10.519 1.00 10.70 O ATOM 955 CB GLN A 67 0.043 -12.334 10.999 1.00 10.71 C ATOM 956 CG GLN A 67 -1.327 -11.912 10.488 1.00 11.09 C ATOM 957 CD GLN A 67 -1.844 -10.646 11.141 1.00 11.64 C ATOM 958 OE1 GLN A 67 -1.587 -9.536 10.665 1.00 11.68 O ATOM 959 NE2 GLN A 67 -2.585 -10.798 12.228 1.00 12.25 N ATOM 0 H GLN A 67 0.973 -9.710 9.435 1.00 9.54 H new ATOM 0 HA GLN A 67 0.852 -10.404 11.515 1.00 10.26 H new ATOM 0 HB2 GLN A 67 0.369 -13.219 10.453 1.00 10.71 H new ATOM 0 HB3 GLN A 67 -0.041 -12.620 12.048 1.00 10.71 H new ATOM 0 HG2 GLN A 67 -1.275 -11.762 9.410 1.00 11.09 H new ATOM 0 HG3 GLN A 67 -2.038 -12.720 10.663 1.00 11.09 H new ATOM 0 HE21 GLN A 67 -2.774 -11.733 12.590 1.00 12.25 H new ATOM 0 HE22 GLN A 67 -2.966 -9.980 12.704 1.00 12.25 H new ATOM 968 N GLY A 68 2.588 -12.021 12.604 1.00 10.79 N ATOM 969 CA GLY A 68 3.820 -12.540 13.158 1.00 11.26 C ATOM 970 C GLY A 68 3.629 -13.061 14.568 1.00 11.69 C ATOM 971 O GLY A 68 4.168 -14.116 14.928 1.00 11.72 O ATOM 0 H GLY A 68 1.844 -11.875 13.286 1.00 10.79 H new ATOM 0 HA2 GLY A 68 4.195 -13.342 12.522 1.00 11.26 H new ATOM 0 HA3 GLY A 68 4.576 -11.755 13.160 1.00 11.26 H new ATOM 975 N MET A 69 2.833 -12.327 15.352 1.00 12.22 N ATOM 976 CA MET A 69 2.525 -12.681 16.740 1.00 12.82 C ATOM 977 C MET A 69 3.773 -12.674 17.613 1.00 13.10 C ATOM 978 O MET A 69 4.814 -12.150 17.220 1.00 13.24 O ATOM 979 CB MET A 69 1.826 -14.041 16.826 1.00 13.26 C ATOM 980 CG MET A 69 0.422 -14.039 16.246 1.00 13.52 C ATOM 981 SD MET A 69 -0.644 -12.806 17.022 1.00 14.03 S ATOM 982 CE MET A 69 -2.203 -13.140 16.205 1.00 14.29 C ATOM 0 H MET A 69 2.383 -11.467 15.040 1.00 12.22 H new ATOM 0 HA MET A 69 1.844 -11.918 17.118 1.00 12.82 H new ATOM 0 HB2 MET A 69 2.427 -14.783 16.300 1.00 13.26 H new ATOM 0 HB3 MET A 69 1.779 -14.351 17.870 1.00 13.26 H new ATOM 0 HG2 MET A 69 0.475 -13.846 15.175 1.00 13.52 H new ATOM 0 HG3 MET A 69 -0.021 -15.027 16.370 1.00 13.52 H new ATOM 0 HE1 MET A 69 -2.964 -12.456 16.580 1.00 14.29 H new ATOM 0 HE2 MET A 69 -2.088 -13.001 15.130 1.00 14.29 H new ATOM 0 HE3 MET A 69 -2.507 -14.167 16.407 1.00 14.29 H new ATOM 992 N ILE A 70 3.632 -13.229 18.814 1.00 13.36 N ATOM 993 CA ILE A 70 4.704 -13.273 19.800 1.00 13.79 C ATOM 994 C ILE A 70 4.922 -11.873 20.358 1.00 14.28 C ATOM 995 O ILE A 70 5.908 -11.195 20.073 1.00 14.51 O ATOM 996 CB ILE A 70 6.026 -13.880 19.252 1.00 13.60 C ATOM 997 CG1 ILE A 70 5.773 -15.320 18.801 1.00 13.34 C ATOM 998 CG2 ILE A 70 7.144 -13.841 20.309 1.00 14.13 C ATOM 999 CD1 ILE A 70 7.020 -16.047 18.339 1.00 13.69 C ATOM 0 H ILE A 70 2.765 -13.663 19.131 1.00 13.36 H new ATOM 0 HA ILE A 70 4.393 -13.947 20.599 1.00 13.79 H new ATOM 0 HB ILE A 70 6.356 -13.281 18.403 1.00 13.60 H new ATOM 0 HG12 ILE A 70 5.325 -15.875 19.625 1.00 13.34 H new ATOM 0 HG13 ILE A 70 5.046 -15.314 17.989 1.00 13.34 H new ATOM 0 HG21 ILE A 70 8.054 -14.273 19.892 1.00 14.13 H new ATOM 0 HG22 ILE A 70 7.333 -12.808 20.600 1.00 14.13 H new ATOM 0 HG23 ILE A 70 6.838 -14.414 21.184 1.00 14.13 H new ATOM 0 HD11 ILE A 70 6.759 -17.061 18.036 1.00 13.69 H new ATOM 0 HD12 ILE A 70 7.458 -15.517 17.493 1.00 13.69 H new ATOM 0 HD13 ILE A 70 7.741 -16.087 19.155 1.00 13.69 H new ATOM 1011 N GLN A 71 3.878 -11.395 21.012 1.00 14.61 N ATOM 1012 CA GLN A 71 3.868 -10.092 21.643 1.00 15.25 C ATOM 1013 C GLN A 71 3.750 -10.277 23.147 1.00 16.12 C ATOM 1014 O GLN A 71 3.381 -9.362 23.887 1.00 16.80 O ATOM 1015 CB GLN A 71 2.708 -9.240 21.103 1.00 15.18 C ATOM 1016 CG GLN A 71 1.321 -9.858 21.276 1.00 15.42 C ATOM 1017 CD GLN A 71 1.024 -10.978 20.287 1.00 15.46 C ATOM 1018 OE1 GLN A 71 1.286 -12.152 20.553 1.00 15.61 O ATOM 1019 NE2 GLN A 71 0.478 -10.624 19.135 1.00 15.48 N ATOM 0 H GLN A 71 3.004 -11.909 21.120 1.00 14.61 H new ATOM 0 HA GLN A 71 4.796 -9.567 21.416 1.00 15.25 H new ATOM 0 HB2 GLN A 71 2.724 -8.272 21.604 1.00 15.18 H new ATOM 0 HB3 GLN A 71 2.877 -9.053 20.043 1.00 15.18 H new ATOM 0 HG2 GLN A 71 1.230 -10.247 22.290 1.00 15.42 H new ATOM 0 HG3 GLN A 71 0.568 -9.077 21.165 1.00 15.42 H new ATOM 0 HE21 GLN A 71 0.274 -9.642 18.948 1.00 15.48 H new ATOM 0 HE22 GLN A 71 0.261 -11.333 18.434 1.00 15.48 H new ATOM 1028 N GLU A 72 4.105 -11.476 23.587 1.00 16.21 N ATOM 1029 CA GLU A 72 4.044 -11.840 24.994 1.00 17.08 C ATOM 1030 C GLU A 72 5.276 -11.299 25.720 1.00 17.64 C ATOM 1031 O GLU A 72 6.192 -10.782 25.082 1.00 17.36 O ATOM 1032 CB GLU A 72 3.964 -13.366 25.139 1.00 17.12 C ATOM 1033 CG GLU A 72 2.816 -14.011 24.373 1.00 16.82 C ATOM 1034 CD GLU A 72 1.484 -13.332 24.623 1.00 16.87 C ATOM 1035 OE1 GLU A 72 1.048 -12.539 23.763 1.00 16.46 O ATOM 1036 OE2 GLU A 72 0.863 -13.593 25.671 1.00 17.42 O ATOM 0 H GLU A 72 4.443 -12.222 22.979 1.00 16.21 H new ATOM 0 HA GLU A 72 3.151 -11.402 25.441 1.00 17.08 H new ATOM 0 HB2 GLU A 72 4.903 -13.801 24.797 1.00 17.12 H new ATOM 0 HB3 GLU A 72 3.864 -13.614 26.196 1.00 17.12 H new ATOM 0 HG2 GLU A 72 3.037 -13.984 23.306 1.00 16.82 H new ATOM 0 HG3 GLU A 72 2.742 -15.061 24.656 1.00 16.82 H new ATOM 1043 N PRO A 73 5.296 -11.348 27.063 1.00 18.53 N ATOM 1044 CA PRO A 73 6.446 -10.881 27.846 1.00 19.22 C ATOM 1045 C PRO A 73 7.696 -11.735 27.627 1.00 19.49 C ATOM 1046 O PRO A 73 7.658 -12.738 26.904 1.00 19.26 O ATOM 1047 CB PRO A 73 5.974 -10.997 29.299 1.00 20.10 C ATOM 1048 CG PRO A 73 4.854 -11.988 29.255 1.00 20.05 C ATOM 1049 CD PRO A 73 4.187 -11.795 27.927 1.00 19.04 C ATOM 0 HA PRO A 73 6.737 -9.871 27.558 1.00 19.22 H new ATOM 0 HB2 PRO A 73 6.779 -11.337 29.951 1.00 20.10 H new ATOM 0 HB3 PRO A 73 5.637 -10.035 29.684 1.00 20.10 H new ATOM 0 HG2 PRO A 73 5.229 -13.006 29.359 1.00 20.05 H new ATOM 0 HG3 PRO A 73 4.152 -11.821 30.072 1.00 20.05 H new ATOM 0 HD2 PRO A 73 3.738 -12.719 27.562 1.00 19.04 H new ATOM 0 HD3 PRO A 73 3.391 -11.052 27.979 1.00 19.04 H new ATOM 1057 N ALA A 74 8.774 -11.359 28.320 1.00 20.11 N ATOM 1058 CA ALA A 74 10.071 -12.033 28.219 1.00 20.56 C ATOM 1059 C ALA A 74 10.729 -11.813 26.854 1.00 20.94 C ATOM 1060 O ALA A 74 10.058 -11.621 25.839 1.00 20.85 O ATOM 1061 CB ALA A 74 9.949 -13.523 28.527 1.00 20.34 C ATOM 0 H ALA A 74 8.771 -10.574 28.971 1.00 20.11 H new ATOM 0 HA ALA A 74 10.719 -11.582 28.970 1.00 20.56 H new ATOM 0 HB1 ALA A 74 10.929 -13.993 28.443 1.00 20.34 H new ATOM 0 HB2 ALA A 74 9.568 -13.655 29.540 1.00 20.34 H new ATOM 0 HB3 ALA A 74 9.263 -13.986 27.818 1.00 20.34 H new ATOM 1067 N LEU A 75 12.056 -11.788 26.851 1.00 21.47 N ATOM 1068 CA LEU A 75 12.821 -11.603 25.622 1.00 21.98 C ATOM 1069 C LEU A 75 13.343 -12.959 25.134 1.00 22.04 C ATOM 1070 O LEU A 75 13.494 -13.870 25.953 1.00 21.90 O ATOM 1071 CB LEU A 75 14.005 -10.647 25.846 1.00 22.62 C ATOM 1072 CG LEU A 75 13.659 -9.157 25.986 1.00 22.85 C ATOM 1073 CD1 LEU A 75 12.831 -8.677 24.802 1.00 22.94 C ATOM 1074 CD2 LEU A 75 12.942 -8.872 27.301 1.00 22.46 C ATOM 0 H LEU A 75 12.628 -11.894 27.689 1.00 21.47 H new ATOM 0 HA LEU A 75 12.163 -11.165 24.871 1.00 21.98 H new ATOM 0 HB2 LEU A 75 14.533 -10.962 26.746 1.00 22.62 H new ATOM 0 HB3 LEU A 75 14.699 -10.760 25.013 1.00 22.62 H new ATOM 0 HG LEU A 75 14.597 -8.601 25.994 1.00 22.85 H new ATOM 0 HD11 LEU A 75 12.599 -7.619 24.925 1.00 22.94 H new ATOM 0 HD12 LEU A 75 13.396 -8.820 23.881 1.00 22.94 H new ATOM 0 HD13 LEU A 75 11.904 -9.248 24.751 1.00 22.94 H new ATOM 0 HD21 LEU A 75 12.712 -7.809 27.367 1.00 22.46 H new ATOM 0 HD22 LEU A 75 12.017 -9.447 27.343 1.00 22.46 H new ATOM 0 HD23 LEU A 75 13.584 -9.157 28.135 1.00 22.46 H new ATOM 1086 N PRO A 76 13.556 -13.163 23.806 1.00 22.33 N ATOM 1087 CA PRO A 76 14.137 -14.418 23.310 1.00 22.55 C ATOM 1088 C PRO A 76 15.459 -14.748 24.009 1.00 23.16 C ATOM 1089 O PRO A 76 16.225 -13.850 24.360 1.00 23.54 O ATOM 1090 CB PRO A 76 14.377 -14.138 21.820 1.00 22.90 C ATOM 1091 CG PRO A 76 13.335 -13.140 21.460 1.00 22.69 C ATOM 1092 CD PRO A 76 13.152 -12.273 22.686 1.00 22.58 C ATOM 0 HA PRO A 76 13.487 -15.273 23.494 1.00 22.55 H new ATOM 0 HB2 PRO A 76 15.379 -13.747 21.645 1.00 22.90 H new ATOM 0 HB3 PRO A 76 14.281 -15.046 21.224 1.00 22.90 H new ATOM 0 HG2 PRO A 76 13.645 -12.543 20.602 1.00 22.69 H new ATOM 0 HG3 PRO A 76 12.401 -13.631 21.186 1.00 22.69 H new ATOM 0 HD2 PRO A 76 13.773 -11.378 22.641 1.00 22.58 H new ATOM 0 HD3 PRO A 76 12.120 -11.940 22.791 1.00 22.58 H new ATOM 1100 N PRO A 77 15.728 -16.044 24.215 1.00 23.33 N ATOM 1101 CA PRO A 77 16.931 -16.530 24.912 1.00 24.01 C ATOM 1102 C PRO A 77 18.220 -15.847 24.463 1.00 24.77 C ATOM 1103 O PRO A 77 18.548 -15.817 23.274 1.00 25.03 O ATOM 1104 CB PRO A 77 16.950 -18.011 24.531 1.00 24.14 C ATOM 1105 CG PRO A 77 15.509 -18.349 24.452 1.00 23.57 C ATOM 1106 CD PRO A 77 14.866 -17.159 23.783 1.00 23.01 C ATOM 0 HA PRO A 77 16.889 -16.329 25.982 1.00 24.01 H new ATOM 0 HB2 PRO A 77 17.457 -18.178 23.581 1.00 24.14 H new ATOM 0 HB3 PRO A 77 17.466 -18.614 25.278 1.00 24.14 H new ATOM 0 HG2 PRO A 77 15.348 -19.260 23.876 1.00 23.57 H new ATOM 0 HG3 PRO A 77 15.089 -18.520 25.443 1.00 23.57 H new ATOM 0 HD2 PRO A 77 14.851 -17.263 22.698 1.00 23.01 H new ATOM 0 HD3 PRO A 77 13.834 -17.022 24.105 1.00 23.01 H new ATOM 1114 N GLY A 78 18.950 -15.304 25.430 1.00 25.21 N ATOM 1115 CA GLY A 78 20.211 -14.646 25.132 1.00 26.01 C ATOM 1116 C GLY A 78 20.076 -13.202 24.655 1.00 25.92 C ATOM 1117 O GLY A 78 21.079 -12.501 24.542 1.00 26.59 O ATOM 0 H GLY A 78 18.692 -15.307 26.417 1.00 25.21 H new ATOM 0 HA2 GLY A 78 20.835 -14.663 26.026 1.00 26.01 H new ATOM 0 HA3 GLY A 78 20.734 -15.220 24.367 1.00 26.01 H new ATOM 1121 N TRP A 79 18.868 -12.753 24.349 1.00 25.19 N ATOM 1122 CA TRP A 79 18.676 -11.381 23.872 1.00 25.16 C ATOM 1123 C TRP A 79 18.291 -10.449 25.024 1.00 24.97 C ATOM 1124 O TRP A 79 17.450 -10.803 25.851 1.00 24.43 O ATOM 1125 CB TRP A 79 17.590 -11.338 22.790 1.00 24.58 C ATOM 1126 CG TRP A 79 18.006 -11.979 21.495 1.00 24.92 C ATOM 1127 CD1 TRP A 79 18.062 -13.315 21.214 1.00 24.92 C ATOM 1128 CD2 TRP A 79 18.417 -11.307 20.296 1.00 25.44 C ATOM 1129 NE1 TRP A 79 18.492 -13.511 19.923 1.00 25.41 N ATOM 1130 CE2 TRP A 79 18.714 -12.294 19.339 1.00 25.73 C ATOM 1131 CE3 TRP A 79 18.571 -9.964 19.944 1.00 25.76 C ATOM 1132 CZ2 TRP A 79 19.145 -11.981 18.051 1.00 26.32 C ATOM 1133 CZ3 TRP A 79 18.996 -9.652 18.664 1.00 26.34 C ATOM 1134 CH2 TRP A 79 19.281 -10.657 17.732 1.00 26.61 C ATOM 0 H TRP A 79 18.013 -13.305 24.419 1.00 25.19 H new ATOM 0 HA TRP A 79 19.620 -11.040 23.448 1.00 25.16 H new ATOM 0 HB2 TRP A 79 16.697 -11.839 23.163 1.00 24.58 H new ATOM 0 HB3 TRP A 79 17.318 -10.300 22.601 1.00 24.58 H new ATOM 0 HD1 TRP A 79 17.805 -14.103 21.906 1.00 24.92 H new ATOM 0 HE1 TRP A 79 18.624 -14.417 19.473 1.00 25.41 H new ATOM 0 HE3 TRP A 79 18.362 -9.182 20.659 1.00 25.76 H new ATOM 0 HZ2 TRP A 79 19.364 -12.755 17.331 1.00 26.32 H new ATOM 0 HZ3 TRP A 79 19.110 -8.616 18.380 1.00 26.34 H new ATOM 0 HH2 TRP A 79 19.615 -10.382 16.742 1.00 26.61 H new ATOM 1145 N GLU A 80 18.909 -9.270 25.095 1.00 25.51 N ATOM 1146 CA GLU A 80 18.579 -8.304 26.139 1.00 25.50 C ATOM 1147 C GLU A 80 18.001 -7.042 25.502 1.00 25.52 C ATOM 1148 O GLU A 80 18.307 -6.720 24.352 1.00 25.91 O ATOM 1149 CB GLU A 80 19.818 -7.955 26.986 1.00 26.28 C ATOM 1150 CG GLU A 80 19.501 -7.110 28.218 1.00 26.33 C ATOM 1151 CD GLU A 80 20.729 -6.722 29.019 1.00 26.69 C ATOM 1152 OE1 GLU A 80 20.914 -7.258 30.126 1.00 26.95 O ATOM 1153 OE2 GLU A 80 21.539 -5.908 28.529 1.00 26.80 O ATOM 0 H GLU A 80 19.635 -8.964 24.447 1.00 25.51 H new ATOM 0 HA GLU A 80 17.837 -8.749 26.802 1.00 25.50 H new ATOM 0 HB2 GLU A 80 20.301 -8.879 27.304 1.00 26.28 H new ATOM 0 HB3 GLU A 80 20.534 -7.419 26.363 1.00 26.28 H new ATOM 0 HG2 GLU A 80 18.981 -6.205 27.904 1.00 26.33 H new ATOM 0 HG3 GLU A 80 18.817 -7.663 28.862 1.00 26.33 H new ATOM 1160 N MET A 81 17.173 -6.330 26.252 1.00 25.18 N ATOM 1161 CA MET A 81 16.546 -5.117 25.753 1.00 25.27 C ATOM 1162 C MET A 81 16.624 -4.030 26.823 1.00 25.77 C ATOM 1163 O MET A 81 16.373 -4.306 27.999 1.00 25.60 O ATOM 1164 CB MET A 81 15.090 -5.406 25.355 1.00 24.50 C ATOM 1165 CG MET A 81 14.400 -4.268 24.606 1.00 24.68 C ATOM 1166 SD MET A 81 13.827 -2.940 25.683 1.00 24.52 S ATOM 1167 CE MET A 81 12.700 -3.833 26.757 1.00 24.27 C ATOM 0 H MET A 81 16.920 -6.573 27.210 1.00 25.18 H new ATOM 0 HA MET A 81 17.072 -4.766 24.865 1.00 25.27 H new ATOM 0 HB2 MET A 81 15.068 -6.300 24.732 1.00 24.50 H new ATOM 0 HB3 MET A 81 14.518 -5.631 26.255 1.00 24.50 H new ATOM 0 HG2 MET A 81 15.091 -3.856 23.871 1.00 24.68 H new ATOM 0 HG3 MET A 81 13.550 -4.670 24.054 1.00 24.68 H new ATOM 0 HE1 MET A 81 12.024 -3.128 27.241 1.00 24.27 H new ATOM 0 HE2 MET A 81 12.121 -4.544 26.167 1.00 24.27 H new ATOM 0 HE3 MET A 81 13.269 -4.370 27.516 1.00 24.27 H new ATOM 1177 N LYS A 82 16.991 -2.812 26.419 1.00 26.46 N ATOM 1178 CA LYS A 82 17.148 -1.702 27.349 1.00 27.08 C ATOM 1179 C LYS A 82 17.119 -0.390 26.564 1.00 27.55 C ATOM 1180 O LYS A 82 17.263 -0.401 25.340 1.00 27.58 O ATOM 1181 CB LYS A 82 18.433 -1.855 28.222 1.00 27.79 C ATOM 1182 CG LYS A 82 19.628 -2.489 27.519 1.00 27.45 C ATOM 1183 CD LYS A 82 20.831 -2.559 28.443 1.00 28.23 C ATOM 1184 CE LYS A 82 22.063 -3.060 27.706 1.00 28.14 C ATOM 1185 NZ LYS A 82 23.118 -3.528 28.640 1.00 28.22 N ATOM 0 H LYS A 82 17.185 -2.573 25.447 1.00 26.46 H new ATOM 0 HA LYS A 82 16.318 -1.700 28.055 1.00 27.08 H new ATOM 0 HB2 LYS A 82 18.726 -0.869 28.583 1.00 27.79 H new ATOM 0 HB3 LYS A 82 18.188 -2.455 29.098 1.00 27.79 H new ATOM 0 HG2 LYS A 82 19.366 -3.492 27.182 1.00 27.45 H new ATOM 0 HG3 LYS A 82 19.881 -1.910 26.631 1.00 27.45 H new ATOM 0 HD2 LYS A 82 21.030 -1.572 28.860 1.00 28.23 H new ATOM 0 HD3 LYS A 82 20.611 -3.221 29.281 1.00 28.23 H new ATOM 0 HE2 LYS A 82 21.780 -3.876 27.040 1.00 28.14 H new ATOM 0 HE3 LYS A 82 22.461 -2.261 27.080 1.00 28.14 H new ATOM 0 HZ1 LYS A 82 24.045 -3.474 28.172 1.00 28.22 H new ATOM 0 HZ2 LYS A 82 23.123 -2.926 29.488 1.00 28.22 H new ATOM 0 HZ3 LYS A 82 22.926 -4.512 28.916 1.00 28.22 H new ATOM 1199 N TYR A 83 16.815 0.716 27.237 1.00 27.96 N ATOM 1200 CA TYR A 83 16.685 2.014 26.562 1.00 28.50 C ATOM 1201 C TYR A 83 17.914 2.893 26.796 1.00 29.50 C ATOM 1202 O TYR A 83 18.672 2.682 27.748 1.00 29.77 O ATOM 1203 CB TYR A 83 15.421 2.746 27.057 1.00 28.32 C ATOM 1204 CG TYR A 83 14.146 1.966 26.829 1.00 27.47 C ATOM 1205 CD1 TYR A 83 13.492 2.003 25.602 1.00 27.19 C ATOM 1206 CD2 TYR A 83 13.593 1.198 27.840 1.00 27.03 C ATOM 1207 CE1 TYR A 83 12.324 1.301 25.395 1.00 26.48 C ATOM 1208 CE2 TYR A 83 12.423 0.491 27.638 1.00 26.32 C ATOM 1209 CZ TYR A 83 11.815 0.516 26.405 1.00 26.04 C ATOM 1210 OH TYR A 83 10.626 -0.148 26.214 1.00 25.39 O ATOM 0 H TYR A 83 16.654 0.745 28.244 1.00 27.96 H new ATOM 0 HA TYR A 83 16.602 1.824 25.492 1.00 28.50 H new ATOM 0 HB2 TYR A 83 15.525 2.955 28.122 1.00 28.32 H new ATOM 0 HB3 TYR A 83 15.345 3.708 26.550 1.00 28.32 H new ATOM 0 HD1 TYR A 83 13.907 2.592 24.797 1.00 27.19 H new ATOM 0 HD2 TYR A 83 14.084 1.151 28.801 1.00 27.03 H new ATOM 0 HE1 TYR A 83 11.811 1.366 24.447 1.00 26.48 H new ATOM 0 HE2 TYR A 83 11.988 -0.079 28.446 1.00 26.32 H new ATOM 0 HH TYR A 83 10.404 -0.659 27.020 1.00 25.39 H new ATOM 1220 N THR A 84 18.133 3.849 25.896 1.00 30.09 N ATOM 1221 CA THR A 84 19.239 4.791 26.026 1.00 31.09 C ATOM 1222 C THR A 84 18.823 5.936 26.960 1.00 31.47 C ATOM 1223 O THR A 84 17.719 5.928 27.506 1.00 30.98 O ATOM 1224 CB THR A 84 19.666 5.380 24.652 1.00 31.69 C ATOM 1225 OG1 THR A 84 18.669 6.297 24.181 1.00 31.75 O ATOM 1226 CG2 THR A 84 19.852 4.288 23.612 1.00 31.35 C ATOM 0 H THR A 84 17.556 3.991 25.067 1.00 30.09 H new ATOM 0 HA THR A 84 20.091 4.250 26.438 1.00 31.09 H new ATOM 0 HB THR A 84 20.616 5.894 24.797 1.00 31.69 H new ATOM 0 HG1 THR A 84 19.083 6.949 23.577 1.00 31.75 H new ATOM 0 HG21 THR A 84 20.150 4.735 22.664 1.00 31.35 H new ATOM 0 HG22 THR A 84 20.625 3.596 23.946 1.00 31.35 H new ATOM 0 HG23 THR A 84 18.914 3.748 23.479 1.00 31.35 H new ATOM 1234 N SER A 85 19.660 6.959 27.069 1.00 32.40 N ATOM 1235 CA SER A 85 19.372 8.095 27.937 1.00 32.91 C ATOM 1236 C SER A 85 18.473 9.128 27.246 1.00 33.07 C ATOM 1237 O SER A 85 18.294 10.243 27.740 1.00 33.44 O ATOM 1238 CB SER A 85 20.685 8.736 28.386 1.00 33.91 C ATOM 1239 OG SER A 85 21.619 8.762 27.322 1.00 34.32 O ATOM 0 H SER A 85 20.545 7.026 26.567 1.00 32.40 H new ATOM 0 HA SER A 85 18.827 7.731 28.808 1.00 32.91 H new ATOM 0 HB2 SER A 85 20.498 9.751 28.738 1.00 33.91 H new ATOM 0 HB3 SER A 85 21.099 8.179 29.226 1.00 33.91 H new ATOM 0 HG SER A 85 21.270 9.317 26.594 1.00 34.32 H new ATOM 1245 N GLU A 86 17.900 8.741 26.109 1.00 32.82 N ATOM 1246 CA GLU A 86 16.990 9.619 25.360 1.00 33.03 C ATOM 1247 C GLU A 86 15.629 8.942 25.224 1.00 32.13 C ATOM 1248 O GLU A 86 14.693 9.509 24.665 1.00 32.23 O ATOM 1249 CB GLU A 86 17.535 9.936 23.948 1.00 33.61 C ATOM 1250 CG GLU A 86 18.974 10.421 23.922 1.00 34.45 C ATOM 1251 CD GLU A 86 19.961 9.276 23.986 1.00 34.93 C ATOM 1252 OE1 GLU A 86 19.919 8.399 23.095 1.00 34.87 O ATOM 1253 OE2 GLU A 86 20.777 9.239 24.928 1.00 35.43 O ATOM 0 H GLU A 86 18.047 7.826 25.682 1.00 32.82 H new ATOM 0 HA GLU A 86 16.901 10.555 25.911 1.00 33.03 H new ATOM 0 HB2 GLU A 86 17.456 9.040 23.332 1.00 33.61 H new ATOM 0 HB3 GLU A 86 16.901 10.695 23.490 1.00 33.61 H new ATOM 0 HG2 GLU A 86 19.146 10.997 23.013 1.00 34.45 H new ATOM 0 HG3 GLU A 86 19.145 11.094 24.762 1.00 34.45 H new ATOM 1260 N GLY A 87 15.529 7.727 25.755 1.00 31.30 N ATOM 1261 CA GLY A 87 14.298 6.962 25.634 1.00 30.42 C ATOM 1262 C GLY A 87 14.277 6.097 24.384 1.00 30.02 C ATOM 1263 O GLY A 87 13.259 5.481 24.062 1.00 29.44 O ATOM 0 H GLY A 87 16.277 7.258 26.266 1.00 31.30 H new ATOM 0 HA2 GLY A 87 14.178 6.329 26.513 1.00 30.42 H new ATOM 0 HA3 GLY A 87 13.449 7.645 25.615 1.00 30.42 H new ATOM 1267 N VAL A 88 15.397 6.056 23.675 1.00 30.40 N ATOM 1268 CA VAL A 88 15.502 5.270 22.451 1.00 30.17 C ATOM 1269 C VAL A 88 15.699 3.790 22.780 1.00 29.38 C ATOM 1270 O VAL A 88 16.444 3.442 23.699 1.00 29.40 O ATOM 1271 CB VAL A 88 16.662 5.773 21.556 1.00 31.05 C ATOM 1272 CG1 VAL A 88 16.823 4.909 20.317 1.00 30.89 C ATOM 1273 CG2 VAL A 88 16.438 7.222 21.150 1.00 31.86 C ATOM 0 H VAL A 88 16.248 6.559 23.926 1.00 30.40 H new ATOM 0 HA VAL A 88 14.570 5.391 21.899 1.00 30.17 H new ATOM 0 HB VAL A 88 17.579 5.705 22.142 1.00 31.05 H new ATOM 0 HG11 VAL A 88 17.645 5.290 19.712 1.00 30.89 H new ATOM 0 HG12 VAL A 88 17.037 3.882 20.615 1.00 30.89 H new ATOM 0 HG13 VAL A 88 15.902 4.933 19.734 1.00 30.89 H new ATOM 0 HG21 VAL A 88 17.264 7.556 20.522 1.00 31.86 H new ATOM 0 HG22 VAL A 88 15.504 7.304 20.595 1.00 31.86 H new ATOM 0 HG23 VAL A 88 16.386 7.846 22.042 1.00 31.86 H new ATOM 1283 N ARG A 89 15.016 2.931 22.032 1.00 28.74 N ATOM 1284 CA ARG A 89 15.060 1.493 22.265 1.00 27.99 C ATOM 1285 C ARG A 89 16.175 0.847 21.456 1.00 28.23 C ATOM 1286 O ARG A 89 16.326 1.128 20.266 1.00 28.54 O ATOM 1287 CB ARG A 89 13.725 0.873 21.861 1.00 27.21 C ATOM 1288 CG ARG A 89 13.359 -0.374 22.634 1.00 26.48 C ATOM 1289 CD ARG A 89 11.925 -0.753 22.331 1.00 25.83 C ATOM 1290 NE ARG A 89 11.401 -1.775 23.232 1.00 25.29 N ATOM 1291 CZ ARG A 89 10.372 -2.564 22.932 1.00 24.70 C ATOM 1292 NH1 ARG A 89 9.907 -2.606 21.688 1.00 24.55 N ATOM 1293 NH2 ARG A 89 9.846 -3.356 23.856 1.00 24.34 N ATOM 0 H ARG A 89 14.420 3.209 21.252 1.00 28.74 H new ATOM 0 HA ARG A 89 15.251 1.320 23.324 1.00 27.99 H new ATOM 0 HB2 ARG A 89 12.938 1.614 21.996 1.00 27.21 H new ATOM 0 HB3 ARG A 89 13.756 0.632 20.799 1.00 27.21 H new ATOM 0 HG2 ARG A 89 14.027 -1.192 22.364 1.00 26.48 H new ATOM 0 HG3 ARG A 89 13.483 -0.201 23.703 1.00 26.48 H new ATOM 0 HD2 ARG A 89 11.299 0.137 22.397 1.00 25.83 H new ATOM 0 HD3 ARG A 89 11.860 -1.114 21.305 1.00 25.83 H new ATOM 0 HE ARG A 89 11.848 -1.891 24.141 1.00 25.29 H new ATOM 0 HH11 ARG A 89 10.339 -2.033 20.963 1.00 24.55 H new ATOM 0 HH12 ARG A 89 9.118 -3.211 21.458 1.00 24.55 H new ATOM 0 HH21 ARG A 89 10.230 -3.362 24.801 1.00 24.34 H new ATOM 0 HH22 ARG A 89 9.057 -3.959 23.622 1.00 24.34 H new ATOM 1307 N TYR A 90 16.960 -0.006 22.102 1.00 28.18 N ATOM 1308 CA TYR A 90 18.013 -0.737 21.416 1.00 28.46 C ATOM 1309 C TYR A 90 18.065 -2.176 21.930 1.00 27.80 C ATOM 1310 O TYR A 90 17.611 -2.456 23.041 1.00 27.31 O ATOM 1311 CB TYR A 90 19.377 -0.047 21.584 1.00 29.43 C ATOM 1312 CG TYR A 90 19.935 -0.018 22.993 1.00 29.57 C ATOM 1313 CD1 TYR A 90 19.565 0.975 23.891 1.00 29.65 C ATOM 1314 CD2 TYR A 90 20.868 -0.958 23.409 1.00 29.70 C ATOM 1315 CE1 TYR A 90 20.109 1.030 25.157 1.00 29.86 C ATOM 1316 CE2 TYR A 90 21.407 -0.910 24.681 1.00 29.91 C ATOM 1317 CZ TYR A 90 21.026 0.087 25.547 1.00 30.05 C ATOM 1318 OH TYR A 90 21.579 0.149 26.802 1.00 30.27 O ATOM 0 H TYR A 90 16.886 -0.207 23.099 1.00 28.18 H new ATOM 0 HA TYR A 90 17.784 -0.749 20.350 1.00 28.46 H new ATOM 0 HB2 TYR A 90 20.098 -0.549 20.939 1.00 29.43 H new ATOM 0 HB3 TYR A 90 19.290 0.979 21.227 1.00 29.43 H new ATOM 0 HD1 TYR A 90 18.839 1.717 23.593 1.00 29.65 H new ATOM 0 HD2 TYR A 90 21.177 -1.738 22.729 1.00 29.70 H new ATOM 0 HE1 TYR A 90 19.814 1.813 25.840 1.00 29.86 H new ATOM 0 HE2 TYR A 90 22.125 -1.654 24.993 1.00 29.91 H new ATOM 0 HH TYR A 90 20.938 0.555 27.422 1.00 30.27 H new ATOM 1328 N PHE A 91 18.583 -3.093 21.120 1.00 27.84 N ATOM 1329 CA PHE A 91 18.675 -4.485 21.512 1.00 27.29 C ATOM 1330 C PHE A 91 20.137 -4.886 21.660 1.00 27.91 C ATOM 1331 O PHE A 91 21.016 -4.330 20.994 1.00 28.69 O ATOM 1332 CB PHE A 91 17.962 -5.391 20.503 1.00 26.81 C ATOM 1333 CG PHE A 91 16.476 -5.509 20.731 1.00 26.08 C ATOM 1334 CD1 PHE A 91 15.919 -6.735 21.063 1.00 25.34 C ATOM 1335 CD2 PHE A 91 15.638 -4.404 20.633 1.00 26.22 C ATOM 1336 CE1 PHE A 91 14.563 -6.859 21.295 1.00 24.76 C ATOM 1337 CE2 PHE A 91 14.279 -4.526 20.863 1.00 25.66 C ATOM 1338 CZ PHE A 91 13.741 -5.754 21.196 1.00 24.89 C ATOM 0 H PHE A 91 18.945 -2.892 20.188 1.00 27.84 H new ATOM 0 HA PHE A 91 18.177 -4.608 22.474 1.00 27.29 H new ATOM 0 HB2 PHE A 91 18.136 -5.007 19.498 1.00 26.81 H new ATOM 0 HB3 PHE A 91 18.406 -6.385 20.545 1.00 26.81 H new ATOM 0 HD1 PHE A 91 16.554 -7.605 21.141 1.00 25.34 H new ATOM 0 HD2 PHE A 91 16.052 -3.441 20.375 1.00 26.22 H new ATOM 0 HE1 PHE A 91 14.145 -7.821 21.554 1.00 24.76 H new ATOM 0 HE2 PHE A 91 13.638 -3.660 20.782 1.00 25.66 H new ATOM 0 HZ PHE A 91 12.681 -5.849 21.378 1.00 24.89 H new ATOM 1348 N VAL A 92 20.391 -5.860 22.519 1.00 27.61 N ATOM 1349 CA VAL A 92 21.754 -6.275 22.822 1.00 28.23 C ATOM 1350 C VAL A 92 21.988 -7.736 22.454 1.00 27.94 C ATOM 1351 O VAL A 92 21.204 -8.607 22.840 1.00 27.26 O ATOM 1352 CB VAL A 92 22.052 -6.104 24.331 1.00 28.37 C ATOM 1353 CG1 VAL A 92 23.525 -6.313 24.635 1.00 29.13 C ATOM 1354 CG2 VAL A 92 21.610 -4.739 24.817 1.00 28.67 C ATOM 0 H VAL A 92 19.671 -6.380 23.020 1.00 27.61 H new ATOM 0 HA VAL A 92 22.417 -5.643 22.231 1.00 28.23 H new ATOM 0 HB VAL A 92 21.484 -6.868 24.862 1.00 28.37 H new ATOM 0 HG11 VAL A 92 23.698 -6.185 25.704 1.00 29.13 H new ATOM 0 HG12 VAL A 92 23.819 -7.320 24.338 1.00 29.13 H new ATOM 0 HG13 VAL A 92 24.118 -5.584 24.082 1.00 29.13 H new ATOM 0 HG21 VAL A 92 21.830 -4.643 25.880 1.00 28.67 H new ATOM 0 HG22 VAL A 92 22.144 -3.966 24.265 1.00 28.67 H new ATOM 0 HG23 VAL A 92 20.538 -4.625 24.656 1.00 28.67 H new ATOM 1364 N ASP A 93 23.046 -8.008 21.691 1.00 28.50 N ATOM 1365 CA ASP A 93 23.417 -9.388 21.401 1.00 28.42 C ATOM 1366 C ASP A 93 24.453 -9.828 22.428 1.00 28.86 C ATOM 1367 O ASP A 93 25.445 -9.127 22.644 1.00 29.70 O ATOM 1368 CB ASP A 93 23.988 -9.561 19.989 1.00 29.01 C ATOM 1369 CG ASP A 93 24.374 -11.004 19.743 1.00 28.68 C ATOM 1370 OD1 ASP A 93 23.486 -11.805 19.394 1.00 28.33 O ATOM 1371 OD2 ASP A 93 25.571 -11.332 19.850 1.00 28.82 O ATOM 0 H ASP A 93 23.651 -7.303 21.270 1.00 28.50 H new ATOM 0 HA ASP A 93 22.518 -10.002 21.455 1.00 28.42 H new ATOM 0 HB2 ASP A 93 23.250 -9.246 19.251 1.00 29.01 H new ATOM 0 HB3 ASP A 93 24.860 -8.919 19.862 1.00 29.01 H new ATOM 1376 N HIS A 94 24.247 -10.976 23.062 1.00 28.36 N ATOM 1377 CA HIS A 94 25.127 -11.393 24.139 1.00 28.81 C ATOM 1378 C HIS A 94 26.392 -12.081 23.625 1.00 29.31 C ATOM 1379 O HIS A 94 27.395 -12.129 24.329 1.00 29.90 O ATOM 1380 CB HIS A 94 24.379 -12.333 25.097 1.00 28.18 C ATOM 1381 CG HIS A 94 24.209 -13.743 24.592 1.00 28.49 C ATOM 1382 ND1 HIS A 94 23.271 -14.108 23.647 1.00 28.32 N ATOM 1383 CD2 HIS A 94 24.881 -14.882 24.900 1.00 29.05 C ATOM 1384 CE1 HIS A 94 23.371 -15.402 23.402 1.00 28.75 C ATOM 1385 NE2 HIS A 94 24.339 -15.889 24.145 1.00 29.20 N ATOM 0 H HIS A 94 23.489 -11.625 22.851 1.00 28.36 H new ATOM 0 HA HIS A 94 25.436 -10.491 24.668 1.00 28.81 H new ATOM 0 HB2 HIS A 94 24.915 -12.364 26.046 1.00 28.18 H new ATOM 0 HB3 HIS A 94 23.394 -11.913 25.300 1.00 28.18 H new ATOM 0 HD1 HIS A 94 22.603 -13.476 23.206 1.00 28.32 H new ATOM 0 HD2 HIS A 94 25.691 -14.977 25.608 1.00 29.05 H new ATOM 0 HE1 HIS A 94 22.761 -15.964 22.710 1.00 28.75 H new ATOM 1394 N ASN A 95 26.344 -12.628 22.412 1.00 29.17 N ATOM 1395 CA ASN A 95 27.468 -13.402 21.894 1.00 29.71 C ATOM 1396 C ASN A 95 28.552 -12.495 21.309 1.00 30.73 C ATOM 1397 O ASN A 95 29.741 -12.759 21.472 1.00 31.42 O ATOM 1398 CB ASN A 95 26.960 -14.429 20.849 1.00 29.28 C ATOM 1399 CG ASN A 95 27.471 -14.186 19.440 1.00 29.19 C ATOM 1400 OD1 ASN A 95 26.751 -13.379 18.680 1.00 29.80 O flip ATOM 1401 ND2 ASN A 95 28.506 -14.716 19.043 1.00 28.49 N flip ATOM 0 H ASN A 95 25.549 -12.551 21.777 1.00 29.17 H new ATOM 0 HA ASN A 95 27.926 -13.945 22.721 1.00 29.71 H new ATOM 0 HB2 ASN A 95 27.258 -15.429 21.164 1.00 29.28 H new ATOM 0 HB3 ASN A 95 25.870 -14.410 20.837 1.00 29.28 H new ATOM 0 HD21 ASN A 95 29.033 -15.333 19.661 1.00 28.49 H new ATOM 0 HD22 ASN A 95 28.838 -14.539 18.095 1.00 28.49 H new ATOM 1408 N THR A 96 28.153 -11.417 20.661 1.00 30.87 N ATOM 1409 CA THR A 96 29.111 -10.496 20.066 1.00 31.86 C ATOM 1410 C THR A 96 29.370 -9.297 20.974 1.00 32.23 C ATOM 1411 O THR A 96 30.389 -8.611 20.836 1.00 33.14 O ATOM 1412 CB THR A 96 28.609 -9.984 18.702 1.00 31.96 C ATOM 1413 OG1 THR A 96 27.240 -9.576 18.807 1.00 31.19 O ATOM 1414 CG2 THR A 96 28.744 -11.047 17.622 1.00 32.02 C ATOM 0 H THR A 96 27.176 -11.155 20.532 1.00 30.87 H new ATOM 0 HA THR A 96 30.040 -11.050 19.931 1.00 31.86 H new ATOM 0 HB THR A 96 29.227 -9.132 18.418 1.00 31.96 H new ATOM 0 HG1 THR A 96 26.666 -10.368 18.861 1.00 31.19 H new ATOM 0 HG21 THR A 96 28.380 -10.651 16.674 1.00 32.02 H new ATOM 0 HG22 THR A 96 29.792 -11.330 17.519 1.00 32.02 H new ATOM 0 HG23 THR A 96 28.157 -11.923 17.898 1.00 32.02 H new ATOM 1422 N ARG A 97 28.471 -9.093 21.934 1.00 31.56 N ATOM 1423 CA ARG A 97 28.523 -7.931 22.819 1.00 31.87 C ATOM 1424 C ARG A 97 28.487 -6.652 21.998 1.00 32.27 C ATOM 1425 O ARG A 97 29.490 -5.962 21.820 1.00 33.03 O ATOM 1426 CB ARG A 97 29.741 -7.966 23.740 1.00 32.70 C ATOM 1427 CG ARG A 97 29.539 -8.867 24.939 1.00 32.43 C ATOM 1428 CD ARG A 97 30.629 -8.652 25.972 1.00 33.36 C ATOM 1429 NE ARG A 97 30.329 -9.306 27.247 1.00 33.97 N ATOM 1430 CZ ARG A 97 30.955 -9.027 28.396 1.00 34.73 C ATOM 1431 NH1 ARG A 97 31.933 -8.124 28.424 1.00 35.00 N ATOM 1432 NH2 ARG A 97 30.599 -9.647 29.516 1.00 35.29 N ATOM 0 H ARG A 97 27.691 -9.723 22.120 1.00 31.56 H new ATOM 0 HA ARG A 97 27.645 -7.959 23.464 1.00 31.87 H new ATOM 0 HB2 ARG A 97 30.609 -8.308 23.176 1.00 32.70 H new ATOM 0 HB3 ARG A 97 29.962 -6.955 24.083 1.00 32.70 H new ATOM 0 HG2 ARG A 97 28.565 -8.669 25.387 1.00 32.43 H new ATOM 0 HG3 ARG A 97 29.537 -9.909 24.619 1.00 32.43 H new ATOM 0 HD2 ARG A 97 31.573 -9.034 25.584 1.00 33.36 H new ATOM 0 HD3 ARG A 97 30.762 -7.583 26.138 1.00 33.36 H new ATOM 0 HE ARG A 97 29.598 -10.018 27.260 1.00 33.97 H new ATOM 0 HH11 ARG A 97 32.207 -7.642 27.568 1.00 35.00 H new ATOM 0 HH12 ARG A 97 32.408 -7.914 29.302 1.00 35.00 H new ATOM 0 HH21 ARG A 97 29.848 -10.337 29.500 1.00 35.29 H new ATOM 0 HH22 ARG A 97 31.077 -9.433 30.391 1.00 35.29 H new ATOM 1446 N THR A 98 27.325 -6.400 21.437 1.00 31.75 N ATOM 1447 CA THR A 98 27.114 -5.259 20.567 1.00 32.09 C ATOM 1448 C THR A 98 25.711 -4.697 20.786 1.00 31.35 C ATOM 1449 O THR A 98 24.886 -5.321 21.458 1.00 30.48 O ATOM 1450 CB THR A 98 27.289 -5.664 19.080 1.00 32.35 C ATOM 1451 OG1 THR A 98 27.548 -4.501 18.282 1.00 32.15 O ATOM 1452 CG2 THR A 98 26.042 -6.373 18.542 1.00 32.59 C ATOM 0 H THR A 98 26.497 -6.980 21.570 1.00 31.75 H new ATOM 0 HA THR A 98 27.855 -4.497 20.809 1.00 32.09 H new ATOM 0 HB THR A 98 28.132 -6.352 19.022 1.00 32.35 H new ATOM 0 HG1 THR A 98 27.659 -4.765 17.345 1.00 32.15 H new ATOM 0 HG21 THR A 98 26.199 -6.643 17.498 1.00 32.59 H new ATOM 0 HG22 THR A 98 25.856 -7.275 19.126 1.00 32.59 H new ATOM 0 HG23 THR A 98 25.183 -5.707 18.619 1.00 32.59 H new ATOM 1460 N THR A 99 25.443 -3.533 20.216 1.00 31.74 N ATOM 1461 CA THR A 99 24.135 -2.909 20.337 1.00 31.18 C ATOM 1462 C THR A 99 23.499 -2.754 18.946 1.00 31.15 C ATOM 1463 O THR A 99 24.096 -2.148 18.055 1.00 31.92 O ATOM 1464 CB THR A 99 24.259 -1.521 21.024 1.00 31.73 C ATOM 1465 OG1 THR A 99 25.320 -0.771 20.412 1.00 32.77 O ATOM 1466 CG2 THR A 99 24.556 -1.668 22.527 1.00 31.59 C ATOM 0 H THR A 99 26.115 -3.000 19.664 1.00 31.74 H new ATOM 0 HA THR A 99 23.498 -3.545 20.952 1.00 31.18 H new ATOM 0 HB THR A 99 23.309 -1.001 20.903 1.00 31.73 H new ATOM 0 HG1 THR A 99 25.253 -0.845 19.437 1.00 32.77 H new ATOM 0 HG21 THR A 99 24.637 -0.680 22.980 1.00 31.59 H new ATOM 0 HG22 THR A 99 23.748 -2.221 23.005 1.00 31.59 H new ATOM 0 HG23 THR A 99 25.494 -2.207 22.662 1.00 31.59 H new ATOM 1474 N THR A 100 22.307 -3.312 18.739 1.00 30.32 N ATOM 1475 CA THR A 100 21.674 -3.248 17.432 1.00 30.31 C ATOM 1476 C THR A 100 20.226 -2.777 17.566 1.00 29.79 C ATOM 1477 O THR A 100 19.638 -2.853 18.644 1.00 29.19 O ATOM 1478 CB THR A 100 21.729 -4.616 16.703 1.00 29.94 C ATOM 1479 OG1 THR A 100 21.308 -4.473 15.338 1.00 30.23 O ATOM 1480 CG2 THR A 100 20.851 -5.652 17.394 1.00 28.90 C ATOM 0 H THR A 100 21.770 -3.806 19.452 1.00 30.32 H new ATOM 0 HA THR A 100 22.229 -2.528 16.830 1.00 30.31 H new ATOM 0 HB THR A 100 22.763 -4.961 16.734 1.00 29.94 H new ATOM 0 HG1 THR A 100 21.349 -5.344 14.890 1.00 30.23 H new ATOM 0 HG21 THR A 100 20.913 -6.598 16.857 1.00 28.90 H new ATOM 0 HG22 THR A 100 21.193 -5.793 18.419 1.00 28.90 H new ATOM 0 HG23 THR A 100 19.817 -5.306 17.401 1.00 28.90 H new ATOM 1488 N PHE A 101 19.676 -2.251 16.485 1.00 30.11 N ATOM 1489 CA PHE A 101 18.309 -1.752 16.490 1.00 29.74 C ATOM 1490 C PHE A 101 17.385 -2.706 15.748 1.00 29.28 C ATOM 1491 O PHE A 101 17.385 -2.752 14.518 1.00 29.75 O ATOM 1492 CB PHE A 101 18.245 -0.362 15.859 1.00 30.55 C ATOM 1493 CG PHE A 101 18.945 0.688 16.670 1.00 30.86 C ATOM 1494 CD1 PHE A 101 20.301 0.928 16.505 1.00 30.67 C ATOM 1495 CD2 PHE A 101 18.244 1.434 17.601 1.00 31.41 C ATOM 1496 CE1 PHE A 101 20.941 1.898 17.255 1.00 31.03 C ATOM 1497 CE2 PHE A 101 18.875 2.403 18.351 1.00 31.76 C ATOM 1498 CZ PHE A 101 20.228 2.634 18.179 1.00 31.57 C ATOM 0 H PHE A 101 20.156 -2.158 15.590 1.00 30.11 H new ATOM 0 HA PHE A 101 17.977 -1.683 17.526 1.00 29.74 H new ATOM 0 HB2 PHE A 101 18.690 -0.401 14.865 1.00 30.55 H new ATOM 0 HB3 PHE A 101 17.201 -0.076 15.730 1.00 30.55 H new ATOM 0 HD1 PHE A 101 20.862 0.352 15.784 1.00 30.67 H new ATOM 0 HD2 PHE A 101 17.188 1.255 17.742 1.00 31.41 H new ATOM 0 HE1 PHE A 101 21.997 2.079 17.118 1.00 31.03 H new ATOM 0 HE2 PHE A 101 18.314 2.981 19.071 1.00 31.76 H new ATOM 0 HZ PHE A 101 20.726 3.390 18.768 1.00 31.57 H new ATOM 1508 N LYS A 102 16.634 -3.497 16.501 1.00 28.42 N ATOM 1509 CA LYS A 102 15.690 -4.435 15.913 1.00 27.96 C ATOM 1510 C LYS A 102 14.385 -4.412 16.699 1.00 27.32 C ATOM 1511 O LYS A 102 14.272 -5.056 17.742 1.00 26.80 O ATOM 1512 CB LYS A 102 16.287 -5.857 15.880 1.00 27.61 C ATOM 1513 CG LYS A 102 15.536 -6.837 14.976 1.00 27.94 C ATOM 1514 CD LYS A 102 14.262 -7.378 15.626 1.00 27.68 C ATOM 1515 CE LYS A 102 14.576 -8.322 16.777 1.00 27.51 C ATOM 1516 NZ LYS A 102 15.008 -9.661 16.296 1.00 27.73 N ATOM 0 H LYS A 102 16.660 -3.508 17.521 1.00 28.42 H new ATOM 0 HA LYS A 102 15.485 -4.135 14.885 1.00 27.96 H new ATOM 0 HB2 LYS A 102 17.323 -5.795 15.547 1.00 27.61 H new ATOM 0 HB3 LYS A 102 16.302 -6.255 16.894 1.00 27.61 H new ATOM 0 HG2 LYS A 102 15.279 -6.339 14.041 1.00 27.94 H new ATOM 0 HG3 LYS A 102 16.193 -7.670 14.724 1.00 27.94 H new ATOM 0 HD2 LYS A 102 13.658 -6.547 15.991 1.00 27.68 H new ATOM 0 HD3 LYS A 102 13.666 -7.901 14.878 1.00 27.68 H new ATOM 0 HE2 LYS A 102 15.361 -7.889 17.397 1.00 27.51 H new ATOM 0 HE3 LYS A 102 13.694 -8.430 17.408 1.00 27.51 H new ATOM 0 HZ1 LYS A 102 15.196 -10.279 17.111 1.00 27.73 H new ATOM 0 HZ2 LYS A 102 14.257 -10.079 15.711 1.00 27.73 H new ATOM 0 HZ3 LYS A 102 15.874 -9.563 15.729 1.00 27.73 H new ATOM 1530 N ASP A 103 13.438 -3.608 16.241 1.00 27.47 N ATOM 1531 CA ASP A 103 12.135 -3.509 16.890 1.00 26.99 C ATOM 1532 C ASP A 103 11.051 -3.903 15.891 1.00 26.66 C ATOM 1533 O ASP A 103 11.082 -3.468 14.736 1.00 27.04 O ATOM 1534 CB ASP A 103 11.889 -2.082 17.404 1.00 27.47 C ATOM 1535 CG ASP A 103 10.752 -1.999 18.410 1.00 27.51 C ATOM 1536 OD1 ASP A 103 9.611 -2.355 18.049 1.00 27.33 O ATOM 1537 OD2 ASP A 103 10.988 -1.575 19.558 1.00 27.82 O ATOM 0 H ASP A 103 13.546 -3.012 15.420 1.00 27.47 H new ATOM 0 HA ASP A 103 12.110 -4.183 17.746 1.00 26.99 H new ATOM 0 HB2 ASP A 103 12.802 -1.706 17.865 1.00 27.47 H new ATOM 0 HB3 ASP A 103 11.667 -1.431 16.559 1.00 27.47 H new ATOM 1542 N PRO A 104 10.120 -4.785 16.294 1.00 26.03 N ATOM 1543 CA PRO A 104 9.045 -5.259 15.416 1.00 25.74 C ATOM 1544 C PRO A 104 8.004 -4.181 15.121 1.00 26.01 C ATOM 1545 O PRO A 104 7.139 -4.376 14.266 1.00 25.99 O ATOM 1546 CB PRO A 104 8.392 -6.417 16.210 1.00 25.14 C ATOM 1547 CG PRO A 104 9.292 -6.676 17.378 1.00 25.07 C ATOM 1548 CD PRO A 104 10.045 -5.400 17.625 1.00 25.65 C ATOM 0 HA PRO A 104 9.437 -5.557 14.444 1.00 25.74 H new ATOM 0 HB2 PRO A 104 7.390 -6.146 16.542 1.00 25.14 H new ATOM 0 HB3 PRO A 104 8.292 -7.308 15.590 1.00 25.14 H new ATOM 0 HG2 PRO A 104 8.715 -6.962 18.257 1.00 25.07 H new ATOM 0 HG3 PRO A 104 9.977 -7.496 17.166 1.00 25.07 H new ATOM 0 HD2 PRO A 104 9.525 -4.758 18.335 1.00 25.65 H new ATOM 0 HD3 PRO A 104 11.036 -5.592 18.035 1.00 25.65 H new ATOM 1556 N ARG A 105 8.060 -3.074 15.853 1.00 26.35 N ATOM 1557 CA ARG A 105 7.126 -1.970 15.664 1.00 26.73 C ATOM 1558 C ARG A 105 7.483 -1.165 14.412 1.00 27.46 C ATOM 1559 O ARG A 105 8.517 -0.497 14.386 1.00 27.80 O ATOM 1560 CB ARG A 105 7.165 -1.050 16.884 1.00 26.76 C ATOM 1561 CG ARG A 105 5.856 -0.972 17.643 1.00 26.26 C ATOM 1562 CD ARG A 105 5.419 -2.327 18.186 1.00 25.68 C ATOM 1563 NE ARG A 105 4.145 -2.220 18.897 1.00 25.63 N ATOM 1564 CZ ARG A 105 3.494 -3.247 19.439 1.00 25.39 C ATOM 1565 NH1 ARG A 105 3.960 -4.484 19.310 1.00 25.18 N ATOM 1566 NH2 ARG A 105 2.362 -3.037 20.096 1.00 25.45 N ATOM 0 H ARG A 105 8.749 -2.917 16.589 1.00 26.35 H new ATOM 0 HA ARG A 105 6.125 -2.383 15.542 1.00 26.73 H new ATOM 0 HB2 ARG A 105 7.945 -1.396 17.562 1.00 26.76 H new ATOM 0 HB3 ARG A 105 7.445 -0.047 16.561 1.00 26.76 H new ATOM 0 HG2 ARG A 105 5.959 -0.269 18.469 1.00 26.26 H new ATOM 0 HG3 ARG A 105 5.080 -0.580 16.985 1.00 26.26 H new ATOM 0 HD2 ARG A 105 5.323 -3.038 17.365 1.00 25.68 H new ATOM 0 HD3 ARG A 105 6.183 -2.717 18.858 1.00 25.68 H new ATOM 0 HE ARG A 105 3.726 -1.294 18.984 1.00 25.63 H new ATOM 0 HH11 ARG A 105 4.823 -4.653 18.793 1.00 25.18 H new ATOM 0 HH12 ARG A 105 3.455 -5.265 19.728 1.00 25.18 H new ATOM 0 HH21 ARG A 105 1.992 -2.091 20.185 1.00 25.45 H new ATOM 0 HH22 ARG A 105 1.861 -3.822 20.512 1.00 25.45 H new ATOM 1580 N PRO A 106 6.669 -1.239 13.337 1.00 27.81 N ATOM 1581 CA PRO A 106 6.936 -0.473 12.121 1.00 28.58 C ATOM 1582 C PRO A 106 7.019 1.026 12.400 1.00 29.15 C ATOM 1583 O PRO A 106 6.073 1.621 12.911 1.00 29.20 O ATOM 1584 CB PRO A 106 5.731 -0.768 11.221 1.00 28.76 C ATOM 1585 CG PRO A 106 5.161 -2.046 11.732 1.00 28.29 C ATOM 1586 CD PRO A 106 5.491 -2.125 13.185 1.00 27.58 C ATOM 0 HA PRO A 106 7.891 -0.750 11.675 1.00 28.58 H new ATOM 0 HB2 PRO A 106 4.998 0.037 11.270 1.00 28.76 H new ATOM 0 HB3 PRO A 106 6.033 -0.861 10.178 1.00 28.76 H new ATOM 0 HG2 PRO A 106 4.082 -2.074 11.580 1.00 28.29 H new ATOM 0 HG3 PRO A 106 5.581 -2.897 11.195 1.00 28.29 H new ATOM 0 HD2 PRO A 106 4.657 -1.789 13.802 1.00 27.58 H new ATOM 0 HD3 PRO A 106 5.719 -3.147 13.487 1.00 27.58 H new ATOM 1594 N GLY A 107 8.174 1.614 12.120 1.00 29.63 N ATOM 1595 CA GLY A 107 8.357 3.044 12.300 1.00 30.26 C ATOM 1596 C GLY A 107 8.699 3.448 13.732 1.00 30.07 C ATOM 1597 O GLY A 107 9.514 4.351 13.918 1.00 30.61 O ATOM 0 H GLY A 107 8.996 1.122 11.768 1.00 29.63 H new ATOM 0 HA2 GLY A 107 9.152 3.385 11.637 1.00 30.26 H new ATOM 0 HA3 GLY A 107 7.445 3.558 11.996 1.00 30.26 H new ATOM 1601 N PHE A 108 8.117 2.748 14.733 1.00 29.36 N ATOM 1602 CA PHE A 108 8.314 3.051 16.184 1.00 29.20 C ATOM 1603 C PHE A 108 8.306 4.558 16.491 1.00 29.85 C ATOM 1604 O PHE A 108 8.793 4.993 17.539 1.00 30.10 O ATOM 1605 CB PHE A 108 9.604 2.388 16.735 1.00 29.02 C ATOM 1606 CG PHE A 108 10.864 2.676 15.958 1.00 28.90 C ATOM 1607 CD1 PHE A 108 11.641 3.782 16.264 1.00 29.07 C ATOM 1608 CD2 PHE A 108 11.281 1.834 14.930 1.00 28.70 C ATOM 1609 CE1 PHE A 108 12.803 4.045 15.564 1.00 29.04 C ATOM 1610 CE2 PHE A 108 12.441 2.098 14.228 1.00 28.68 C ATOM 1611 CZ PHE A 108 13.203 3.203 14.546 1.00 28.85 C ATOM 0 H PHE A 108 7.496 1.956 14.566 1.00 29.36 H new ATOM 0 HA PHE A 108 7.455 2.618 16.698 1.00 29.20 H new ATOM 0 HB2 PHE A 108 9.749 2.716 17.764 1.00 29.02 H new ATOM 0 HB3 PHE A 108 9.454 1.309 16.763 1.00 29.02 H new ATOM 0 HD1 PHE A 108 11.335 4.446 17.059 1.00 29.07 H new ATOM 0 HD2 PHE A 108 10.691 0.965 14.679 1.00 28.70 H new ATOM 0 HE1 PHE A 108 13.399 4.910 15.814 1.00 29.04 H new ATOM 0 HE2 PHE A 108 12.751 1.439 13.430 1.00 28.68 H new ATOM 0 HZ PHE A 108 14.111 3.409 13.999 1.00 28.85 H new ATOM 1621 N GLU A 109 7.605 5.308 15.652 1.00 30.16 N ATOM 1622 CA GLU A 109 7.506 6.757 15.769 1.00 30.84 C ATOM 1623 C GLU A 109 6.638 7.280 14.635 1.00 31.39 C ATOM 1624 O GLU A 109 5.438 7.529 14.863 1.00 31.70 O ATOM 1625 CB GLU A 109 8.895 7.410 15.713 1.00 30.99 C ATOM 1626 CG GLU A 109 8.881 8.932 15.802 1.00 31.54 C ATOM 1627 CD GLU A 109 8.416 9.438 17.149 1.00 31.75 C ATOM 1628 OE1 GLU A 109 9.274 9.828 17.964 1.00 32.01 O ATOM 1629 OE2 GLU A 109 7.192 9.451 17.398 1.00 31.74 O ATOM 1630 OXT GLU A 109 7.152 7.397 13.504 1.00 31.58 O ATOM 0 H GLU A 109 7.084 4.924 14.863 1.00 30.16 H new ATOM 0 HA GLU A 109 7.058 7.008 16.731 1.00 30.84 H new ATOM 0 HB2 GLU A 109 9.501 7.016 16.529 1.00 30.99 H new ATOM 0 HB3 GLU A 109 9.383 7.117 14.783 1.00 30.99 H new ATOM 0 HG2 GLU A 109 9.883 9.312 15.603 1.00 31.54 H new ATOM 0 HG3 GLU A 109 8.229 9.330 15.025 1.00 31.54 H new TER 1637 GLU A 109