USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 699 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 59 GLN : amide:sc= -4.07 K(o=-11,f=-12!) USER MOD Set 1.2: A 61 TYR OH : rot 180:sc= -0.859 USER MOD Set 1.3: A 64 GLN : amide:sc= -5.59! K(o=-11!,f=-8.5) USER MOD Set 2.1: A 40 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 8 GLN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Set 3.2: A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -100:sc= -0.871 USER MOD Single : A 5 ASN : amide:sc= -1.25 K(o=-1.2,f=-0.18) USER MOD Single : A 11 HIS : no HD1:sc= -0.04 X(o=-0.04,f=-0.0068) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.537 K(o=-0.54,f=-1.1!) USER MOD Single : A 24 SER OG : rot 180:sc= 0.194 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.0239 X(o=-0.024,f=-0.44) USER MOD Single : A 38 ASN : amide:sc= -5.77! C(o=-5.8!,f=-3.3!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -1.17 K(o=-1.2,f=-2.1!) USER MOD Single : A 57 SER OG : rot -86:sc= -0.332 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 63 HIS : no HD1:sc= -0.0132 X(o=-0.013,f=-0.29) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 136:sc= 0.679 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 13:sc= 0.736! USER MOD Single : A 75 SER OG : rot 152:sc= -0.0742 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0437 USER MOD Single : A 77 SER OG : rot 65:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.0535 X(o=-0.054,f=-0.21) USER MOD Single : A 85 HIS : no HE2:sc= 0.0103 K(o=0.01,f=-2.9!) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 87 HIS : no HD1:sc= -0.34 X(o=-0.34,f=-0.16) USER MOD Single : A 88 HIS : no HD1:sc= -0.186 K(o=-0.19,f=-0.76) USER MOD Single : A 89 HIS : no HE2:sc= -0.382 K(o=-0.38,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.245 -40.872 3.519 1.00 0.00 N ATOM 2 CA MET A 1 -8.890 -40.164 4.654 1.00 0.00 C ATOM 3 C MET A 1 -8.159 -38.866 4.980 1.00 0.00 C ATOM 4 O MET A 1 -8.732 -37.780 4.884 1.00 0.00 O ATOM 5 CB MET A 1 -8.887 -41.090 5.872 1.00 0.00 C ATOM 6 CG MET A 1 -9.762 -40.598 7.012 1.00 0.00 C ATOM 7 SD MET A 1 -9.090 -41.012 8.633 1.00 0.00 S ATOM 8 CE MET A 1 -9.989 -42.518 8.998 1.00 0.00 C ATOM 0 H1 MET A 1 -8.763 -41.751 3.319 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.259 -40.262 2.676 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.260 -41.099 3.766 1.00 0.00 H new ATOM 0 HA MET A 1 -9.913 -39.906 4.380 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.226 -42.080 5.566 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.864 -41.200 6.232 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.877 -39.517 6.936 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.757 -41.032 6.914 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.682 -42.898 9.973 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.059 -42.309 9.010 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.774 -43.265 8.234 1.00 0.00 H new ATOM 20 N ARG A 2 -6.891 -38.989 5.365 1.00 0.00 N ATOM 21 CA ARG A 2 -6.074 -37.829 5.706 1.00 0.00 C ATOM 22 C ARG A 2 -6.703 -37.032 6.844 1.00 0.00 C ATOM 23 O ARG A 2 -7.594 -37.521 7.539 1.00 0.00 O ATOM 24 CB ARG A 2 -5.888 -36.933 4.479 1.00 0.00 C ATOM 25 CG ARG A 2 -4.489 -36.352 4.354 1.00 0.00 C ATOM 26 CD ARG A 2 -4.120 -36.101 2.900 1.00 0.00 C ATOM 27 NE ARG A 2 -5.275 -35.692 2.104 1.00 0.00 N ATOM 28 CZ ARG A 2 -5.630 -36.279 0.965 1.00 0.00 C ATOM 29 NH1 ARG A 2 -4.921 -37.293 0.487 1.00 0.00 N ATOM 30 NH2 ARG A 2 -6.695 -35.849 0.300 1.00 0.00 N ATOM 0 H ARG A 2 -6.407 -39.883 5.448 1.00 0.00 H new ATOM 0 HA ARG A 2 -5.099 -38.188 6.037 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.114 -37.509 3.582 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.609 -36.116 4.524 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.430 -35.418 4.912 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.768 -37.036 4.801 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.353 -35.328 2.849 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -3.689 -37.007 2.474 1.00 0.00 H new ATOM 0 HE ARG A 2 -5.840 -34.913 2.441 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -4.100 -37.625 0.994 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -5.197 -37.741 -0.387 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.242 -35.068 0.663 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -6.967 -36.300 -0.574 1.00 0.00 H new ATOM 44 N GLY A 3 -6.233 -35.802 7.029 1.00 0.00 N ATOM 45 CA GLY A 3 -6.759 -34.957 8.084 1.00 0.00 C ATOM 46 C GLY A 3 -5.807 -33.840 8.461 1.00 0.00 C ATOM 47 O GLY A 3 -5.161 -33.893 9.507 1.00 0.00 O ATOM 0 H GLY A 3 -5.497 -35.376 6.466 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -7.708 -34.528 7.763 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -6.966 -35.566 8.964 1.00 0.00 H new ATOM 51 N SER A 4 -5.721 -32.826 7.606 1.00 0.00 N ATOM 52 CA SER A 4 -4.841 -31.689 7.852 1.00 0.00 C ATOM 53 C SER A 4 -5.435 -30.759 8.904 1.00 0.00 C ATOM 54 O SER A 4 -6.515 -31.017 9.436 1.00 0.00 O ATOM 55 CB SER A 4 -4.597 -30.917 6.553 1.00 0.00 C ATOM 56 OG SER A 4 -5.618 -29.961 6.327 1.00 0.00 O ATOM 0 H SER A 4 -6.250 -32.768 6.736 1.00 0.00 H new ATOM 0 HA SER A 4 -3.891 -32.071 8.225 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.630 -30.416 6.600 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.555 -31.613 5.715 1.00 0.00 H new ATOM 0 HG SER A 4 -6.261 -30.316 5.678 1.00 0.00 H new ATOM 62 N ASN A 5 -4.722 -29.676 9.198 1.00 0.00 N ATOM 63 CA ASN A 5 -5.177 -28.705 10.187 1.00 0.00 C ATOM 64 C ASN A 5 -5.831 -27.505 9.506 1.00 0.00 C ATOM 65 O ASN A 5 -5.522 -26.355 9.821 1.00 0.00 O ATOM 66 CB ASN A 5 -4.002 -28.244 11.054 1.00 0.00 C ATOM 67 CG ASN A 5 -2.890 -27.618 10.237 1.00 0.00 C ATOM 68 OD1 ASN A 5 -2.750 -26.396 10.192 1.00 0.00 O ATOM 69 ND2 ASN A 5 -2.091 -28.454 9.584 1.00 0.00 N ATOM 0 H ASN A 5 -3.827 -29.449 8.765 1.00 0.00 H new ATOM 0 HA ASN A 5 -5.920 -29.186 10.824 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.358 -27.523 11.790 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.607 -29.096 11.608 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -1.325 -28.090 9.017 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -2.243 -29.460 9.649 1.00 0.00 H new ATOM 76 N ALA A 6 -6.735 -27.784 8.569 1.00 0.00 N ATOM 77 CA ALA A 6 -7.438 -26.735 7.835 1.00 0.00 C ATOM 78 C ALA A 6 -6.460 -25.844 7.072 1.00 0.00 C ATOM 79 O ALA A 6 -5.881 -24.917 7.639 1.00 0.00 O ATOM 80 CB ALA A 6 -8.286 -25.899 8.785 1.00 0.00 C ATOM 0 H ALA A 6 -6.998 -28.732 8.300 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.093 -27.215 7.108 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.803 -25.122 8.223 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.018 -26.539 9.278 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -7.644 -25.438 9.535 1.00 0.00 H new ATOM 86 N PRO A 7 -6.260 -26.111 5.767 1.00 0.00 N ATOM 87 CA PRO A 7 -5.346 -25.324 4.933 1.00 0.00 C ATOM 88 C PRO A 7 -5.876 -23.920 4.659 1.00 0.00 C ATOM 89 O PRO A 7 -7.053 -23.741 4.339 1.00 0.00 O ATOM 90 CB PRO A 7 -5.265 -26.129 3.634 1.00 0.00 C ATOM 91 CG PRO A 7 -6.546 -26.888 3.577 1.00 0.00 C ATOM 92 CD PRO A 7 -6.910 -27.196 5.003 1.00 0.00 C ATOM 0 HA PRO A 7 -4.381 -25.174 5.417 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.154 -25.475 2.769 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -4.407 -26.801 3.638 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.326 -26.300 3.094 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -6.431 -27.804 2.997 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.990 -27.199 5.150 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -6.544 -28.176 5.308 1.00 0.00 H new ATOM 100 N GLN A 8 -5.001 -22.927 4.786 1.00 0.00 N ATOM 101 CA GLN A 8 -5.379 -21.537 4.551 1.00 0.00 C ATOM 102 C GLN A 8 -4.373 -20.847 3.633 1.00 0.00 C ATOM 103 O GLN A 8 -3.163 -20.940 3.847 1.00 0.00 O ATOM 104 CB GLN A 8 -5.481 -20.780 5.877 1.00 0.00 C ATOM 105 CG GLN A 8 -4.415 -21.170 6.887 1.00 0.00 C ATOM 106 CD GLN A 8 -3.556 -19.993 7.311 1.00 0.00 C ATOM 107 OE1 GLN A 8 -4.068 -18.963 7.750 1.00 0.00 O ATOM 108 NE2 GLN A 8 -2.244 -20.142 7.180 1.00 0.00 N ATOM 0 H GLN A 8 -4.025 -23.059 5.050 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.354 -21.530 4.063 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.409 -19.710 5.681 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -6.464 -20.959 6.312 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.893 -21.602 7.766 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.779 -21.944 6.458 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -1.864 -21.014 6.811 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -1.615 -19.385 7.448 1.00 0.00 H new ATOM 117 N PRO A 9 -4.857 -20.141 2.594 1.00 0.00 N ATOM 118 CA PRO A 9 -3.988 -19.437 1.649 1.00 0.00 C ATOM 119 C PRO A 9 -3.385 -18.173 2.251 1.00 0.00 C ATOM 120 O PRO A 9 -3.869 -17.066 2.012 1.00 0.00 O ATOM 121 CB PRO A 9 -4.930 -19.085 0.498 1.00 0.00 C ATOM 122 CG PRO A 9 -6.275 -18.980 1.130 1.00 0.00 C ATOM 123 CD PRO A 9 -6.286 -19.976 2.259 1.00 0.00 C ATOM 0 HA PRO A 9 -3.134 -20.044 1.348 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.641 -18.148 0.022 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.915 -19.853 -0.276 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -6.454 -17.970 1.500 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.062 -19.200 0.409 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.857 -19.609 3.111 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.738 -20.920 1.956 1.00 0.00 H new ATOM 131 N SER A 10 -2.322 -18.344 3.032 1.00 0.00 N ATOM 132 CA SER A 10 -1.651 -17.217 3.666 1.00 0.00 C ATOM 133 C SER A 10 -1.034 -16.297 2.618 1.00 0.00 C ATOM 134 O SER A 10 -0.841 -15.107 2.860 1.00 0.00 O ATOM 135 CB SER A 10 -0.568 -17.714 4.624 1.00 0.00 C ATOM 136 OG SER A 10 -0.844 -17.319 5.957 1.00 0.00 O ATOM 0 H SER A 10 -1.908 -19.253 3.240 1.00 0.00 H new ATOM 0 HA SER A 10 -2.394 -16.653 4.230 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.501 -18.801 4.570 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.401 -17.320 4.318 1.00 0.00 H new ATOM 0 HG SER A 10 -0.137 -17.651 6.549 1.00 0.00 H new ATOM 142 N HIS A 11 -0.730 -16.866 1.453 1.00 0.00 N ATOM 143 CA HIS A 11 -0.133 -16.114 0.353 1.00 0.00 C ATOM 144 C HIS A 11 1.202 -15.497 0.768 1.00 0.00 C ATOM 145 O HIS A 11 2.257 -16.099 0.569 1.00 0.00 O ATOM 146 CB HIS A 11 -1.092 -15.025 -0.135 1.00 0.00 C ATOM 147 CG HIS A 11 -1.739 -15.345 -1.448 1.00 0.00 C ATOM 148 ND1 HIS A 11 -3.104 -15.400 -1.579 1.00 0.00 N ATOM 149 CD2 HIS A 11 -1.165 -15.616 -2.645 1.00 0.00 C ATOM 150 CE1 HIS A 11 -3.333 -15.700 -2.845 1.00 0.00 C ATOM 151 NE2 HIS A 11 -2.188 -15.841 -3.530 1.00 0.00 N ATOM 0 H HIS A 11 -0.889 -17.852 1.247 1.00 0.00 H new ATOM 0 HA HIS A 11 0.054 -16.809 -0.465 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -1.867 -14.871 0.616 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -0.547 -14.086 -0.227 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.107 -15.648 -2.860 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -4.317 -15.817 -3.274 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -2.096 -16.071 -4.519 1.00 0.00 H new ATOM 159 N ILE A 12 1.151 -14.297 1.342 1.00 0.00 N ATOM 160 CA ILE A 12 2.361 -13.611 1.779 1.00 0.00 C ATOM 161 C ILE A 12 2.553 -13.733 3.284 1.00 0.00 C ATOM 162 O ILE A 12 1.594 -13.935 4.031 1.00 0.00 O ATOM 163 CB ILE A 12 2.335 -12.110 1.405 1.00 0.00 C ATOM 164 CG1 ILE A 12 3.750 -11.624 1.099 1.00 0.00 C ATOM 165 CG2 ILE A 12 1.728 -11.280 2.528 1.00 0.00 C ATOM 166 CD1 ILE A 12 4.129 -11.753 -0.359 1.00 0.00 C ATOM 0 H ILE A 12 0.287 -13.782 1.514 1.00 0.00 H new ATOM 0 HA ILE A 12 3.191 -14.094 1.264 1.00 0.00 H new ATOM 0 HB ILE A 12 1.714 -11.988 0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.840 -10.580 1.399 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.459 -12.191 1.702 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.721 -10.229 2.241 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.707 -11.612 2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.321 -11.405 3.434 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.146 -11.389 -0.504 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.071 -12.799 -0.659 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.443 -11.163 -0.967 1.00 0.00 H new ATOM 178 N SER A 13 3.794 -13.573 3.724 1.00 0.00 N ATOM 179 CA SER A 13 4.107 -13.627 5.143 1.00 0.00 C ATOM 180 C SER A 13 3.807 -12.272 5.768 1.00 0.00 C ATOM 181 O SER A 13 3.415 -12.179 6.931 1.00 0.00 O ATOM 182 CB SER A 13 5.575 -13.999 5.357 1.00 0.00 C ATOM 183 OG SER A 13 5.907 -13.999 6.734 1.00 0.00 O ATOM 0 H SER A 13 4.598 -13.405 3.119 1.00 0.00 H new ATOM 0 HA SER A 13 3.494 -14.393 5.619 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.769 -14.984 4.933 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.213 -13.293 4.826 1.00 0.00 H new ATOM 0 HG SER A 13 6.850 -14.241 6.843 1.00 0.00 H new ATOM 189 N LYS A 14 3.984 -11.225 4.964 1.00 0.00 N ATOM 190 CA LYS A 14 3.728 -9.858 5.399 1.00 0.00 C ATOM 191 C LYS A 14 3.916 -8.872 4.245 1.00 0.00 C ATOM 192 O LYS A 14 4.810 -9.038 3.416 1.00 0.00 O ATOM 193 CB LYS A 14 4.661 -9.486 6.552 1.00 0.00 C ATOM 194 CG LYS A 14 6.127 -9.759 6.258 1.00 0.00 C ATOM 195 CD LYS A 14 7.029 -9.159 7.324 1.00 0.00 C ATOM 196 CE LYS A 14 8.137 -8.323 6.706 1.00 0.00 C ATOM 197 NZ LYS A 14 8.705 -7.348 7.677 1.00 0.00 N ATOM 0 H LYS A 14 4.307 -11.302 3.999 1.00 0.00 H new ATOM 0 HA LYS A 14 2.694 -9.801 5.739 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.536 -8.428 6.783 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.367 -10.044 7.441 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.294 -10.835 6.202 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.387 -9.345 5.284 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.437 -8.540 7.998 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.465 -9.957 7.925 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.929 -8.980 6.346 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.748 -7.788 5.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.458 -6.798 7.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.955 -6.705 8.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.100 -7.860 8.492 1.00 0.00 H new ATOM 211 N TYR A 15 3.084 -7.834 4.216 1.00 0.00 N ATOM 212 CA TYR A 15 3.172 -6.801 3.187 1.00 0.00 C ATOM 213 C TYR A 15 3.718 -5.519 3.803 1.00 0.00 C ATOM 214 O TYR A 15 3.395 -5.195 4.942 1.00 0.00 O ATOM 215 CB TYR A 15 1.794 -6.515 2.569 1.00 0.00 C ATOM 216 CG TYR A 15 1.306 -7.568 1.593 1.00 0.00 C ATOM 217 CD1 TYR A 15 2.039 -7.876 0.455 1.00 0.00 C ATOM 218 CD2 TYR A 15 0.104 -8.242 1.803 1.00 0.00 C ATOM 219 CE1 TYR A 15 1.593 -8.825 -0.446 1.00 0.00 C ATOM 220 CE2 TYR A 15 -0.346 -9.192 0.907 1.00 0.00 C ATOM 221 CZ TYR A 15 0.401 -9.480 -0.215 1.00 0.00 C ATOM 222 OH TYR A 15 -0.046 -10.424 -1.111 1.00 0.00 O ATOM 0 H TYR A 15 2.338 -7.686 4.896 1.00 0.00 H new ATOM 0 HA TYR A 15 3.838 -7.157 2.401 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.064 -6.418 3.372 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.833 -5.554 2.056 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.973 -7.366 0.271 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.485 -8.018 2.680 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.175 -9.053 -1.327 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.279 -9.707 1.085 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.900 -10.791 -0.800 1.00 0.00 H new ATOM 232 N ILE A 16 4.536 -4.785 3.061 1.00 0.00 N ATOM 233 CA ILE A 16 5.091 -3.545 3.578 1.00 0.00 C ATOM 234 C ILE A 16 4.576 -2.353 2.786 1.00 0.00 C ATOM 235 O ILE A 16 4.746 -2.276 1.568 1.00 0.00 O ATOM 236 CB ILE A 16 6.640 -3.556 3.574 1.00 0.00 C ATOM 237 CG1 ILE A 16 7.170 -3.921 4.964 1.00 0.00 C ATOM 238 CG2 ILE A 16 7.200 -2.206 3.137 1.00 0.00 C ATOM 239 CD1 ILE A 16 6.826 -2.903 6.034 1.00 0.00 C ATOM 0 H ILE A 16 4.826 -5.023 2.113 1.00 0.00 H new ATOM 0 HA ILE A 16 4.762 -3.455 4.613 1.00 0.00 H new ATOM 0 HB ILE A 16 6.970 -4.308 2.857 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.766 -4.891 5.254 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.253 -4.030 4.913 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.289 -2.244 3.144 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.852 -1.976 2.130 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.860 -1.431 3.824 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.234 -3.229 6.991 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.254 -1.936 5.767 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.743 -2.811 6.114 1.00 0.00 H new ATOM 251 N LEU A 17 3.954 -1.423 3.493 1.00 0.00 N ATOM 252 CA LEU A 17 3.422 -0.224 2.874 1.00 0.00 C ATOM 253 C LEU A 17 4.247 0.978 3.298 1.00 0.00 C ATOM 254 O LEU A 17 4.276 1.338 4.475 1.00 0.00 O ATOM 255 CB LEU A 17 1.959 -0.027 3.271 1.00 0.00 C ATOM 256 CG LEU A 17 1.083 0.632 2.206 1.00 0.00 C ATOM 257 CD1 LEU A 17 0.385 -0.422 1.361 1.00 0.00 C ATOM 258 CD2 LEU A 17 0.065 1.560 2.853 1.00 0.00 C ATOM 0 H LEU A 17 3.806 -1.478 4.501 1.00 0.00 H new ATOM 0 HA LEU A 17 3.475 -0.329 1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.532 -0.998 3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.922 0.579 4.176 1.00 0.00 H new ATOM 0 HG LEU A 17 1.723 1.225 1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.234 0.066 0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.131 -1.046 0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.243 -1.043 2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.550 2.021 2.080 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.570 0.988 3.530 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.585 2.337 3.413 1.00 0.00 H new ATOM 270 N ARG A 18 4.929 1.588 2.340 1.00 0.00 N ATOM 271 CA ARG A 18 5.767 2.740 2.628 1.00 0.00 C ATOM 272 C ARG A 18 5.353 3.938 1.792 1.00 0.00 C ATOM 273 O ARG A 18 5.222 3.836 0.576 1.00 0.00 O ATOM 274 CB ARG A 18 7.237 2.405 2.371 1.00 0.00 C ATOM 275 CG ARG A 18 7.454 0.992 1.856 1.00 0.00 C ATOM 276 CD ARG A 18 8.846 0.480 2.185 1.00 0.00 C ATOM 277 NE ARG A 18 9.234 0.785 3.560 1.00 0.00 N ATOM 278 CZ ARG A 18 10.372 1.389 3.888 1.00 0.00 C ATOM 279 NH1 ARG A 18 11.223 1.768 2.944 1.00 0.00 N ATOM 280 NH2 ARG A 18 10.659 1.617 5.163 1.00 0.00 N ATOM 0 H ARG A 18 4.918 1.305 1.360 1.00 0.00 H new ATOM 0 HA ARG A 18 5.639 2.995 3.680 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.642 3.113 1.648 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.799 2.537 3.296 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.709 0.327 2.293 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.305 0.971 0.776 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.881 -0.598 2.030 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.567 0.924 1.499 1.00 0.00 H new ATOM 0 HE ARG A 18 8.596 0.520 4.310 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.005 1.596 1.962 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.095 2.231 3.200 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.006 1.329 5.892 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.532 2.080 5.414 1.00 0.00 H new ATOM 294 N TRP A 19 5.159 5.075 2.451 1.00 0.00 N ATOM 295 CA TRP A 19 4.769 6.297 1.763 1.00 0.00 C ATOM 296 C TRP A 19 5.295 7.525 2.501 1.00 0.00 C ATOM 297 O TRP A 19 5.449 7.504 3.724 1.00 0.00 O ATOM 298 CB TRP A 19 3.246 6.367 1.605 1.00 0.00 C ATOM 299 CG TRP A 19 2.521 6.799 2.843 1.00 0.00 C ATOM 300 CD1 TRP A 19 2.087 8.059 3.137 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.141 5.974 3.950 1.00 0.00 C ATOM 302 NE1 TRP A 19 1.462 8.069 4.361 1.00 0.00 N ATOM 303 CE2 TRP A 19 1.481 6.801 4.879 1.00 0.00 C ATOM 304 CE3 TRP A 19 2.292 4.615 4.246 1.00 0.00 C ATOM 305 CZ2 TRP A 19 0.975 6.314 6.081 1.00 0.00 C ATOM 306 CZ3 TRP A 19 1.788 4.134 5.439 1.00 0.00 C ATOM 307 CH2 TRP A 19 1.137 4.980 6.344 1.00 0.00 C ATOM 0 H TRP A 19 5.266 5.174 3.461 1.00 0.00 H new ATOM 0 HA TRP A 19 5.213 6.284 0.768 1.00 0.00 H new ATOM 0 HB2 TRP A 19 3.007 7.058 0.797 1.00 0.00 H new ATOM 0 HB3 TRP A 19 2.877 5.386 1.305 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.216 8.922 2.501 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.051 8.887 4.810 1.00 0.00 H new ATOM 0 HE3 TRP A 19 2.793 3.954 3.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.473 6.965 6.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 1.898 3.086 5.677 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.755 4.573 7.268 1.00 0.00 H new ATOM 318 N ARG A 20 5.582 8.588 1.751 1.00 0.00 N ATOM 319 CA ARG A 20 6.101 9.814 2.344 1.00 0.00 C ATOM 320 C ARG A 20 5.754 11.031 1.484 1.00 0.00 C ATOM 321 O ARG A 20 5.707 10.943 0.258 1.00 0.00 O ATOM 322 CB ARG A 20 7.621 9.704 2.533 1.00 0.00 C ATOM 323 CG ARG A 20 8.441 10.516 1.538 1.00 0.00 C ATOM 324 CD ARG A 20 8.516 9.832 0.183 1.00 0.00 C ATOM 325 NE ARG A 20 9.814 10.025 -0.457 1.00 0.00 N ATOM 326 CZ ARG A 20 10.032 10.898 -1.435 1.00 0.00 C ATOM 327 NH1 ARG A 20 9.043 11.658 -1.885 1.00 0.00 N ATOM 328 NH2 ARG A 20 11.242 11.013 -1.967 1.00 0.00 N ATOM 0 H ARG A 20 5.464 8.623 0.738 1.00 0.00 H new ATOM 0 HA ARG A 20 5.632 9.949 3.319 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.873 10.028 3.543 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.910 8.656 2.453 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.998 11.505 1.423 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.448 10.661 1.929 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.327 8.765 0.305 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.731 10.223 -0.464 1.00 0.00 H new ATOM 0 HE ARG A 20 10.598 9.458 -0.135 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.110 11.574 -1.480 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.215 12.327 -2.636 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.007 10.431 -1.625 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.407 11.684 -2.718 1.00 0.00 H new ATOM 342 N PRO A 21 5.497 12.184 2.126 1.00 0.00 N ATOM 343 CA PRO A 21 5.148 13.424 1.421 1.00 0.00 C ATOM 344 C PRO A 21 6.232 13.868 0.448 1.00 0.00 C ATOM 345 O PRO A 21 7.317 14.286 0.855 1.00 0.00 O ATOM 346 CB PRO A 21 4.992 14.446 2.551 1.00 0.00 C ATOM 347 CG PRO A 21 4.700 13.622 3.753 1.00 0.00 C ATOM 348 CD PRO A 21 5.513 12.376 3.586 1.00 0.00 C ATOM 0 HA PRO A 21 4.253 13.303 0.810 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.900 15.035 2.683 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.184 15.148 2.344 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.972 14.150 4.667 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.637 13.391 3.823 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.526 12.497 3.969 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.072 11.529 4.112 1.00 0.00 H new ATOM 356 N LYS A 22 5.927 13.771 -0.839 1.00 0.00 N ATOM 357 CA LYS A 22 6.864 14.159 -1.887 1.00 0.00 C ATOM 358 C LYS A 22 7.156 15.657 -1.836 1.00 0.00 C ATOM 359 O LYS A 22 8.165 16.120 -2.368 1.00 0.00 O ATOM 360 CB LYS A 22 6.295 13.776 -3.251 1.00 0.00 C ATOM 361 CG LYS A 22 6.238 12.273 -3.473 1.00 0.00 C ATOM 362 CD LYS A 22 6.746 11.882 -4.850 1.00 0.00 C ATOM 363 CE LYS A 22 8.258 12.007 -4.948 1.00 0.00 C ATOM 364 NZ LYS A 22 8.677 12.706 -6.195 1.00 0.00 N ATOM 0 H LYS A 22 5.032 13.425 -1.185 1.00 0.00 H new ATOM 0 HA LYS A 22 7.803 13.630 -1.726 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.291 14.190 -3.349 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.904 14.230 -4.033 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.834 11.771 -2.711 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.211 11.927 -3.354 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.451 10.856 -5.069 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.279 12.516 -5.604 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.634 12.552 -4.082 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.707 11.014 -4.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.715 12.771 -6.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.340 12.173 -7.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.269 13.663 -6.210 1.00 0.00 H new ATOM 378 N ASN A 23 6.270 16.407 -1.185 1.00 0.00 N ATOM 379 CA ASN A 23 6.438 17.850 -1.058 1.00 0.00 C ATOM 380 C ASN A 23 7.583 18.173 -0.105 1.00 0.00 C ATOM 381 O ASN A 23 8.115 19.283 -0.106 1.00 0.00 O ATOM 382 CB ASN A 23 5.146 18.497 -0.555 1.00 0.00 C ATOM 383 CG ASN A 23 4.423 19.269 -1.642 1.00 0.00 C ATOM 384 OD1 ASN A 23 5.049 19.850 -2.529 1.00 0.00 O ATOM 385 ND2 ASN A 23 3.097 19.280 -1.576 1.00 0.00 N ATOM 0 H ASN A 23 5.430 16.039 -0.738 1.00 0.00 H new ATOM 0 HA ASN A 23 6.675 18.253 -2.043 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.485 17.724 -0.162 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.378 19.169 0.271 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.556 19.784 -2.278 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.620 18.784 -0.823 1.00 0.00 H new ATOM 392 N SER A 24 7.958 17.188 0.705 1.00 0.00 N ATOM 393 CA SER A 24 9.042 17.353 1.666 1.00 0.00 C ATOM 394 C SER A 24 10.186 16.393 1.355 1.00 0.00 C ATOM 395 O SER A 24 10.273 15.855 0.251 1.00 0.00 O ATOM 396 CB SER A 24 8.529 17.117 3.087 1.00 0.00 C ATOM 397 OG SER A 24 9.362 17.752 4.042 1.00 0.00 O ATOM 0 H SER A 24 7.525 16.264 0.714 1.00 0.00 H new ATOM 0 HA SER A 24 9.417 18.374 1.591 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.511 17.497 3.177 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.489 16.047 3.289 1.00 0.00 H new ATOM 0 HG SER A 24 9.012 17.588 4.942 1.00 0.00 H new ATOM 403 N VAL A 25 11.061 16.181 2.334 1.00 0.00 N ATOM 404 CA VAL A 25 12.198 15.284 2.159 1.00 0.00 C ATOM 405 C VAL A 25 12.161 14.137 3.163 1.00 0.00 C ATOM 406 O VAL A 25 12.088 14.358 4.372 1.00 0.00 O ATOM 407 CB VAL A 25 13.538 16.022 2.302 1.00 0.00 C ATOM 408 CG1 VAL A 25 14.415 15.772 1.086 1.00 0.00 C ATOM 409 CG2 VAL A 25 13.323 17.513 2.521 1.00 0.00 C ATOM 0 H VAL A 25 11.004 16.617 3.254 1.00 0.00 H new ATOM 0 HA VAL A 25 12.119 14.886 1.147 1.00 0.00 H new ATOM 0 HB VAL A 25 14.050 15.630 3.181 1.00 0.00 H new ATOM 0 HG11 VAL A 25 15.360 16.302 1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 25 14.608 14.703 0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 25 13.907 16.131 0.191 1.00 0.00 H new ATOM 0 HG21 VAL A 25 14.289 18.009 2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.784 17.932 1.671 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.742 17.667 3.430 1.00 0.00 H new ATOM 419 N GLY A 26 12.219 12.912 2.650 1.00 0.00 N ATOM 420 CA GLY A 26 12.199 11.745 3.508 1.00 0.00 C ATOM 421 C GLY A 26 10.913 11.626 4.303 1.00 0.00 C ATOM 422 O GLY A 26 9.834 11.936 3.798 1.00 0.00 O ATOM 0 H GLY A 26 12.280 12.708 1.652 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.330 10.850 2.900 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.044 11.790 4.195 1.00 0.00 H new ATOM 426 N ARG A 27 11.032 11.174 5.549 1.00 0.00 N ATOM 427 CA ARG A 27 9.877 11.009 6.427 1.00 0.00 C ATOM 428 C ARG A 27 8.908 9.969 5.872 1.00 0.00 C ATOM 429 O ARG A 27 7.742 10.264 5.606 1.00 0.00 O ATOM 430 CB ARG A 27 9.159 12.344 6.624 1.00 0.00 C ATOM 431 CG ARG A 27 9.125 12.809 8.071 1.00 0.00 C ATOM 432 CD ARG A 27 10.147 13.902 8.329 1.00 0.00 C ATOM 433 NE ARG A 27 10.858 13.702 9.589 1.00 0.00 N ATOM 434 CZ ARG A 27 10.599 14.387 10.698 1.00 0.00 C ATOM 435 NH1 ARG A 27 9.646 15.309 10.705 1.00 0.00 N ATOM 436 NH2 ARG A 27 11.294 14.152 11.803 1.00 0.00 N ATOM 0 H ARG A 27 11.922 10.914 5.975 1.00 0.00 H new ATOM 0 HA ARG A 27 10.239 10.657 7.393 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.651 13.105 6.018 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.137 12.255 6.256 1.00 0.00 H new ATOM 0 HG2 ARG A 27 8.128 13.178 8.312 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.321 11.964 8.731 1.00 0.00 H new ATOM 0 HD2 ARG A 27 10.864 13.928 7.509 1.00 0.00 H new ATOM 0 HD3 ARG A 27 9.646 14.870 8.345 1.00 0.00 H new ATOM 0 HE ARG A 27 11.595 12.997 9.620 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.109 15.494 9.858 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.450 15.833 11.558 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.029 13.445 11.803 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.094 14.679 12.653 1.00 0.00 H new ATOM 450 N TRP A 28 9.406 8.752 5.708 1.00 0.00 N ATOM 451 CA TRP A 28 8.599 7.650 5.194 1.00 0.00 C ATOM 452 C TRP A 28 7.661 7.116 6.275 1.00 0.00 C ATOM 453 O TRP A 28 7.730 7.530 7.432 1.00 0.00 O ATOM 454 CB TRP A 28 9.498 6.509 4.707 1.00 0.00 C ATOM 455 CG TRP A 28 10.109 6.732 3.354 1.00 0.00 C ATOM 456 CD1 TRP A 28 11.398 7.095 3.089 1.00 0.00 C ATOM 457 CD2 TRP A 28 9.464 6.588 2.081 1.00 0.00 C ATOM 458 NE1 TRP A 28 11.596 7.186 1.732 1.00 0.00 N ATOM 459 CE2 TRP A 28 10.424 6.879 1.092 1.00 0.00 C ATOM 460 CE3 TRP A 28 8.170 6.241 1.680 1.00 0.00 C ATOM 461 CZ2 TRP A 28 10.130 6.832 -0.269 1.00 0.00 C ATOM 462 CZ3 TRP A 28 7.879 6.196 0.327 1.00 0.00 C ATOM 463 CH2 TRP A 28 8.855 6.489 -0.632 1.00 0.00 C ATOM 0 H TRP A 28 10.370 8.500 5.924 1.00 0.00 H new ATOM 0 HA TRP A 28 8.009 8.031 4.361 1.00 0.00 H new ATOM 0 HB2 TRP A 28 10.298 6.358 5.432 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.914 5.589 4.681 1.00 0.00 H new ATOM 0 HD1 TRP A 28 12.153 7.283 3.838 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.472 7.440 1.276 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.411 6.012 2.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 10.881 7.058 -1.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.882 5.930 0.007 1.00 0.00 H new ATOM 0 HH2 TRP A 28 8.597 6.444 -1.680 1.00 0.00 H new ATOM 474 N LYS A 29 6.800 6.179 5.889 1.00 0.00 N ATOM 475 CA LYS A 29 5.860 5.559 6.818 1.00 0.00 C ATOM 476 C LYS A 29 5.719 4.083 6.476 1.00 0.00 C ATOM 477 O LYS A 29 5.558 3.733 5.313 1.00 0.00 O ATOM 478 CB LYS A 29 4.498 6.250 6.750 1.00 0.00 C ATOM 479 CG LYS A 29 4.408 7.500 7.611 1.00 0.00 C ATOM 480 CD LYS A 29 3.283 7.398 8.629 1.00 0.00 C ATOM 481 CE LYS A 29 3.193 8.648 9.488 1.00 0.00 C ATOM 482 NZ LYS A 29 1.781 9.058 9.728 1.00 0.00 N ATOM 0 H LYS A 29 6.734 5.830 4.933 1.00 0.00 H new ATOM 0 HA LYS A 29 6.241 5.664 7.834 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.286 6.516 5.714 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.727 5.546 7.063 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.355 7.655 8.128 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.246 8.370 6.975 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.336 7.242 8.112 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.445 6.529 9.266 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.686 8.468 10.443 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.729 9.462 9.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.764 9.914 10.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.317 9.255 8.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.275 8.291 10.216 1.00 0.00 H new ATOM 496 N GLU A 30 5.805 3.214 7.477 1.00 0.00 N ATOM 497 CA GLU A 30 5.713 1.779 7.227 1.00 0.00 C ATOM 498 C GLU A 30 4.541 1.136 7.959 1.00 0.00 C ATOM 499 O GLU A 30 4.305 1.394 9.140 1.00 0.00 O ATOM 500 CB GLU A 30 7.015 1.083 7.634 1.00 0.00 C ATOM 501 CG GLU A 30 8.067 2.024 8.201 1.00 0.00 C ATOM 502 CD GLU A 30 7.761 2.451 9.624 1.00 0.00 C ATOM 503 OE1 GLU A 30 7.393 1.580 10.440 1.00 0.00 O ATOM 504 OE2 GLU A 30 7.891 3.658 9.921 1.00 0.00 O ATOM 0 H GLU A 30 5.936 3.472 8.455 1.00 0.00 H new ATOM 0 HA GLU A 30 5.545 1.654 6.157 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.789 0.317 8.376 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.429 0.572 6.765 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.040 1.534 8.174 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.138 2.908 7.567 1.00 0.00 H new ATOM 511 N ALA A 31 3.826 0.281 7.237 1.00 0.00 N ATOM 512 CA ALA A 31 2.682 -0.439 7.781 1.00 0.00 C ATOM 513 C ALA A 31 2.669 -1.865 7.241 1.00 0.00 C ATOM 514 O ALA A 31 2.463 -2.080 6.046 1.00 0.00 O ATOM 515 CB ALA A 31 1.387 0.281 7.431 1.00 0.00 C ATOM 0 H ALA A 31 4.023 0.068 6.259 1.00 0.00 H new ATOM 0 HA ALA A 31 2.766 -0.475 8.867 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.542 -0.269 7.844 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.405 1.287 7.850 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.286 0.341 6.347 1.00 0.00 H new ATOM 521 N THR A 32 2.912 -2.839 8.115 1.00 0.00 N ATOM 522 CA THR A 32 2.948 -4.237 7.698 1.00 0.00 C ATOM 523 C THR A 32 1.573 -4.892 7.752 1.00 0.00 C ATOM 524 O THR A 32 0.853 -4.780 8.744 1.00 0.00 O ATOM 525 CB THR A 32 3.924 -5.067 8.551 1.00 0.00 C ATOM 526 OG1 THR A 32 5.224 -4.465 8.534 1.00 0.00 O ATOM 527 CG2 THR A 32 4.012 -6.495 8.029 1.00 0.00 C ATOM 0 H THR A 32 3.086 -2.687 9.109 1.00 0.00 H new ATOM 0 HA THR A 32 3.294 -4.224 6.664 1.00 0.00 H new ATOM 0 HB THR A 32 3.551 -5.092 9.575 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.839 -4.998 9.080 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.707 -7.065 8.645 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.026 -6.959 8.069 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.366 -6.484 6.998 1.00 0.00 H new ATOM 535 N ILE A 33 1.231 -5.590 6.674 1.00 0.00 N ATOM 536 CA ILE A 33 -0.041 -6.289 6.572 1.00 0.00 C ATOM 537 C ILE A 33 0.153 -7.642 5.886 1.00 0.00 C ATOM 538 O ILE A 33 0.353 -7.703 4.678 1.00 0.00 O ATOM 539 CB ILE A 33 -1.059 -5.455 5.771 1.00 0.00 C ATOM 540 CG1 ILE A 33 -0.327 -4.530 4.792 1.00 0.00 C ATOM 541 CG2 ILE A 33 -1.943 -4.651 6.712 1.00 0.00 C ATOM 542 CD1 ILE A 33 -1.246 -3.793 3.844 1.00 0.00 C ATOM 0 H ILE A 33 1.826 -5.686 5.851 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.423 -6.443 7.581 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.696 -6.130 5.199 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.253 -3.802 5.359 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.382 -5.120 4.211 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.657 -4.067 6.131 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.482 -5.329 7.373 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.324 -3.979 7.307 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.655 -3.159 3.183 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.808 -4.513 3.249 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.939 -3.175 4.415 1.00 0.00 H new ATOM 554 N PRO A 34 0.110 -8.752 6.643 1.00 0.00 N ATOM 555 CA PRO A 34 0.300 -10.098 6.083 1.00 0.00 C ATOM 556 C PRO A 34 -0.703 -10.449 4.988 1.00 0.00 C ATOM 557 O PRO A 34 -1.567 -9.646 4.635 1.00 0.00 O ATOM 558 CB PRO A 34 0.118 -11.026 7.287 1.00 0.00 C ATOM 559 CG PRO A 34 -0.566 -10.200 8.325 1.00 0.00 C ATOM 560 CD PRO A 34 -0.104 -8.791 8.097 1.00 0.00 C ATOM 0 HA PRO A 34 1.273 -10.183 5.600 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.479 -11.899 7.023 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.078 -11.394 7.648 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.649 -10.276 8.233 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.306 -10.539 9.328 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.850 -8.064 8.416 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.811 -8.571 8.647 1.00 0.00 H new ATOM 568 N GLY A 35 -0.572 -11.663 4.454 1.00 0.00 N ATOM 569 CA GLY A 35 -1.460 -12.121 3.400 1.00 0.00 C ATOM 570 C GLY A 35 -2.887 -12.272 3.879 1.00 0.00 C ATOM 571 O GLY A 35 -3.287 -13.343 4.336 1.00 0.00 O ATOM 0 H GLY A 35 0.138 -12.339 4.736 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.430 -11.415 2.570 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.104 -13.078 3.018 1.00 0.00 H new ATOM 575 N HIS A 36 -3.647 -11.191 3.778 1.00 0.00 N ATOM 576 CA HIS A 36 -5.038 -11.177 4.207 1.00 0.00 C ATOM 577 C HIS A 36 -5.641 -9.805 3.961 1.00 0.00 C ATOM 578 O HIS A 36 -6.657 -9.666 3.281 1.00 0.00 O ATOM 579 CB HIS A 36 -5.129 -11.516 5.693 1.00 0.00 C ATOM 580 CG HIS A 36 -5.875 -12.783 5.974 1.00 0.00 C ATOM 581 ND1 HIS A 36 -5.230 -13.915 6.411 1.00 0.00 N ATOM 582 CD2 HIS A 36 -7.200 -13.044 5.863 1.00 0.00 C ATOM 583 CE1 HIS A 36 -6.168 -14.833 6.555 1.00 0.00 C ATOM 584 NE2 HIS A 36 -7.380 -14.352 6.235 1.00 0.00 N ATOM 0 H HIS A 36 -3.319 -10.303 3.398 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.591 -11.922 3.634 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.121 -11.599 6.100 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.617 -10.693 6.216 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -7.967 -12.354 5.543 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -5.984 -15.844 6.888 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -8.264 -14.861 6.263 1.00 0.00 H new ATOM 592 N LEU A 37 -4.990 -8.794 4.519 1.00 0.00 N ATOM 593 CA LEU A 37 -5.431 -7.417 4.367 1.00 0.00 C ATOM 594 C LEU A 37 -4.988 -6.881 3.012 1.00 0.00 C ATOM 595 O LEU A 37 -5.308 -5.750 2.645 1.00 0.00 O ATOM 596 CB LEU A 37 -4.880 -6.522 5.493 1.00 0.00 C ATOM 597 CG LEU A 37 -4.475 -7.222 6.804 1.00 0.00 C ATOM 598 CD1 LEU A 37 -5.523 -8.231 7.254 1.00 0.00 C ATOM 599 CD2 LEU A 37 -3.118 -7.892 6.661 1.00 0.00 C ATOM 0 H LEU A 37 -4.149 -8.904 5.085 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.519 -7.401 4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.009 -5.991 5.109 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.633 -5.770 5.728 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.406 -6.453 7.574 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.199 -8.702 8.182 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.472 -7.721 7.418 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.649 -8.993 6.485 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.852 -8.380 7.599 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.161 -8.635 5.865 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.366 -7.142 6.417 1.00 0.00 H new ATOM 611 N ASN A 38 -4.244 -7.714 2.278 1.00 0.00 N ATOM 612 CA ASN A 38 -3.733 -7.356 0.955 1.00 0.00 C ATOM 613 C ASN A 38 -3.203 -5.920 0.942 1.00 0.00 C ATOM 614 O ASN A 38 -2.349 -5.569 1.754 1.00 0.00 O ATOM 615 CB ASN A 38 -4.818 -7.566 -0.116 1.00 0.00 C ATOM 616 CG ASN A 38 -6.115 -6.833 0.191 1.00 0.00 C ATOM 617 OD1 ASN A 38 -6.924 -7.294 0.996 1.00 0.00 O ATOM 618 ND2 ASN A 38 -6.322 -5.691 -0.456 1.00 0.00 N ATOM 0 H ASN A 38 -3.981 -8.651 2.584 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.897 -8.014 0.719 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.437 -7.229 -1.080 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.025 -8.632 -0.210 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.178 -5.161 -0.293 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.625 -5.345 -1.115 1.00 0.00 H new ATOM 625 N SER A 39 -3.703 -5.092 0.028 1.00 0.00 N ATOM 626 CA SER A 39 -3.265 -3.704 -0.064 1.00 0.00 C ATOM 627 C SER A 39 -4.100 -2.807 0.843 1.00 0.00 C ATOM 628 O SER A 39 -5.308 -2.668 0.651 1.00 0.00 O ATOM 629 CB SER A 39 -3.358 -3.213 -1.509 1.00 0.00 C ATOM 630 OG SER A 39 -2.929 -4.212 -2.417 1.00 0.00 O ATOM 0 H SER A 39 -4.410 -5.358 -0.657 1.00 0.00 H new ATOM 0 HA SER A 39 -2.227 -3.656 0.264 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.386 -2.930 -1.734 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.747 -2.319 -1.632 1.00 0.00 H new ATOM 0 HG SER A 39 -3.000 -3.873 -3.334 1.00 0.00 H new ATOM 636 N TYR A 40 -3.449 -2.194 1.827 1.00 0.00 N ATOM 637 CA TYR A 40 -4.136 -1.304 2.756 1.00 0.00 C ATOM 638 C TYR A 40 -4.261 0.092 2.156 1.00 0.00 C ATOM 639 O TYR A 40 -3.271 0.684 1.726 1.00 0.00 O ATOM 640 CB TYR A 40 -3.386 -1.243 4.092 1.00 0.00 C ATOM 641 CG TYR A 40 -3.774 -0.065 4.959 1.00 0.00 C ATOM 642 CD1 TYR A 40 -4.981 -0.053 5.646 1.00 0.00 C ATOM 643 CD2 TYR A 40 -2.932 1.033 5.091 1.00 0.00 C ATOM 644 CE1 TYR A 40 -5.340 1.021 6.438 1.00 0.00 C ATOM 645 CE2 TYR A 40 -3.284 2.110 5.882 1.00 0.00 C ATOM 646 CZ TYR A 40 -4.488 2.099 6.553 1.00 0.00 C ATOM 647 OH TYR A 40 -4.842 3.169 7.342 1.00 0.00 O ATOM 0 H TYR A 40 -2.449 -2.297 2.001 1.00 0.00 H new ATOM 0 HA TYR A 40 -5.136 -1.697 2.937 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.571 -2.165 4.644 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.315 -1.199 3.895 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.650 -0.897 5.560 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -1.988 1.045 4.567 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -6.283 1.016 6.964 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.619 2.956 5.974 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.132 3.844 7.316 1.00 0.00 H new ATOM 657 N THR A 41 -5.485 0.607 2.126 1.00 0.00 N ATOM 658 CA THR A 41 -5.741 1.930 1.571 1.00 0.00 C ATOM 659 C THR A 41 -5.821 2.987 2.666 1.00 0.00 C ATOM 660 O THR A 41 -6.274 2.713 3.777 1.00 0.00 O ATOM 661 CB THR A 41 -7.050 1.956 0.761 1.00 0.00 C ATOM 662 OG1 THR A 41 -7.283 3.274 0.249 1.00 0.00 O ATOM 663 CG2 THR A 41 -8.228 1.527 1.623 1.00 0.00 C ATOM 0 H THR A 41 -6.314 0.129 2.479 1.00 0.00 H new ATOM 0 HA THR A 41 -4.904 2.157 0.911 1.00 0.00 H new ATOM 0 HB THR A 41 -6.952 1.256 -0.069 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.116 3.282 -0.266 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.142 1.553 1.029 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.062 0.514 1.988 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.326 2.206 2.470 1.00 0.00 H new ATOM 671 N ILE A 42 -5.388 4.198 2.336 1.00 0.00 N ATOM 672 CA ILE A 42 -5.417 5.306 3.276 1.00 0.00 C ATOM 673 C ILE A 42 -6.529 6.276 2.900 1.00 0.00 C ATOM 674 O ILE A 42 -6.672 6.653 1.737 1.00 0.00 O ATOM 675 CB ILE A 42 -4.065 6.043 3.323 1.00 0.00 C ATOM 676 CG1 ILE A 42 -2.921 5.034 3.441 1.00 0.00 C ATOM 677 CG2 ILE A 42 -4.035 7.020 4.488 1.00 0.00 C ATOM 678 CD1 ILE A 42 -1.773 5.307 2.496 1.00 0.00 C ATOM 0 H ILE A 42 -5.011 4.436 1.419 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.609 4.900 4.269 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.940 6.607 2.398 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.547 5.040 4.465 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.309 4.034 3.249 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.073 7.533 4.508 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.834 7.752 4.370 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.176 6.477 5.422 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.999 4.552 2.636 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.132 5.272 1.467 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.359 6.294 2.702 1.00 0.00 H new ATOM 690 N LYS A 43 -7.333 6.643 3.886 1.00 0.00 N ATOM 691 CA LYS A 43 -8.467 7.535 3.668 1.00 0.00 C ATOM 692 C LYS A 43 -8.047 8.924 3.176 1.00 0.00 C ATOM 693 O LYS A 43 -7.610 9.078 2.036 1.00 0.00 O ATOM 694 CB LYS A 43 -9.292 7.646 4.949 1.00 0.00 C ATOM 695 CG LYS A 43 -8.455 7.635 6.217 1.00 0.00 C ATOM 696 CD LYS A 43 -9.122 6.824 7.316 1.00 0.00 C ATOM 697 CE LYS A 43 -8.981 5.329 7.069 1.00 0.00 C ATOM 698 NZ LYS A 43 -8.119 4.676 8.092 1.00 0.00 N ATOM 0 H LYS A 43 -7.222 6.336 4.852 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.075 7.098 2.876 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.875 8.567 4.917 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.002 6.820 4.986 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.471 7.218 6.001 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.300 8.658 6.561 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.678 7.078 8.278 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.178 7.086 7.373 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.967 4.865 7.076 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.558 5.163 6.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.048 3.659 7.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.170 5.101 8.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.536 4.812 9.035 1.00 0.00 H new ATOM 712 N GLY A 44 -8.221 9.937 4.024 1.00 0.00 N ATOM 713 CA GLY A 44 -7.894 11.299 3.637 1.00 0.00 C ATOM 714 C GLY A 44 -6.421 11.640 3.753 1.00 0.00 C ATOM 715 O GLY A 44 -5.752 11.248 4.709 1.00 0.00 O ATOM 0 H GLY A 44 -8.583 9.838 4.972 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.213 11.459 2.607 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.465 11.989 4.258 1.00 0.00 H new ATOM 719 N LEU A 45 -5.929 12.390 2.770 1.00 0.00 N ATOM 720 CA LEU A 45 -4.537 12.820 2.739 1.00 0.00 C ATOM 721 C LEU A 45 -4.446 14.337 2.575 1.00 0.00 C ATOM 722 O LEU A 45 -3.355 14.895 2.467 1.00 0.00 O ATOM 723 CB LEU A 45 -3.787 12.129 1.597 1.00 0.00 C ATOM 724 CG LEU A 45 -3.459 10.649 1.825 1.00 0.00 C ATOM 725 CD1 LEU A 45 -2.889 10.428 3.219 1.00 0.00 C ATOM 726 CD2 LEU A 45 -4.690 9.785 1.607 1.00 0.00 C ATOM 0 H LEU A 45 -6.482 12.715 1.977 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.075 12.540 3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.383 12.216 0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.856 12.667 1.419 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.702 10.356 1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.664 9.370 3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.976 11.011 3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.619 10.744 3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.434 8.739 1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.472 10.083 2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.048 9.912 0.585 1.00 0.00 H new ATOM 738 N LYS A 46 -5.607 14.993 2.566 1.00 0.00 N ATOM 739 CA LYS A 46 -5.689 16.441 2.428 1.00 0.00 C ATOM 740 C LYS A 46 -5.129 16.926 1.088 1.00 0.00 C ATOM 741 O LYS A 46 -4.289 16.265 0.476 1.00 0.00 O ATOM 742 CB LYS A 46 -4.953 17.111 3.578 1.00 0.00 C ATOM 743 CG LYS A 46 -5.873 17.636 4.666 1.00 0.00 C ATOM 744 CD LYS A 46 -5.204 17.587 6.031 1.00 0.00 C ATOM 745 CE LYS A 46 -5.530 16.294 6.762 1.00 0.00 C ATOM 746 NZ LYS A 46 -5.258 16.396 8.223 1.00 0.00 N ATOM 0 H LYS A 46 -6.513 14.533 2.654 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.743 16.716 2.456 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.256 16.397 4.017 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.359 17.937 3.186 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.161 18.662 4.437 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.789 17.045 4.687 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.124 17.677 5.912 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.531 18.437 6.629 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.579 16.043 6.605 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.941 15.480 6.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.493 15.494 8.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.252 16.610 8.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.839 17.156 8.632 1.00 0.00 H new ATOM 760 N PRO A 47 -5.598 18.099 0.614 1.00 0.00 N ATOM 761 CA PRO A 47 -5.152 18.677 -0.657 1.00 0.00 C ATOM 762 C PRO A 47 -3.793 19.356 -0.544 1.00 0.00 C ATOM 763 O PRO A 47 -3.387 19.782 0.537 1.00 0.00 O ATOM 764 CB PRO A 47 -6.235 19.709 -0.963 1.00 0.00 C ATOM 765 CG PRO A 47 -6.716 20.152 0.376 1.00 0.00 C ATOM 766 CD PRO A 47 -6.609 18.950 1.279 1.00 0.00 C ATOM 0 HA PRO A 47 -5.025 17.919 -1.430 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.836 20.545 -1.538 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.043 19.274 -1.551 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.112 20.977 0.753 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.745 20.508 0.322 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.296 19.231 2.285 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.565 18.435 1.375 1.00 0.00 H new ATOM 774 N GLY A 48 -3.093 19.454 -1.670 1.00 0.00 N ATOM 775 CA GLY A 48 -1.785 20.081 -1.680 1.00 0.00 C ATOM 776 C GLY A 48 -0.731 19.215 -1.025 1.00 0.00 C ATOM 777 O GLY A 48 0.424 19.621 -0.897 1.00 0.00 O ATOM 0 H GLY A 48 -3.409 19.110 -2.577 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.492 20.291 -2.709 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.839 21.039 -1.162 1.00 0.00 H new ATOM 781 N VAL A 49 -1.128 18.016 -0.613 1.00 0.00 N ATOM 782 CA VAL A 49 -0.208 17.087 0.029 1.00 0.00 C ATOM 783 C VAL A 49 -0.059 15.813 -0.787 1.00 0.00 C ATOM 784 O VAL A 49 -0.998 15.025 -0.898 1.00 0.00 O ATOM 785 CB VAL A 49 -0.668 16.697 1.448 1.00 0.00 C ATOM 786 CG1 VAL A 49 0.521 16.644 2.392 1.00 0.00 C ATOM 787 CG2 VAL A 49 -1.733 17.651 1.969 1.00 0.00 C ATOM 0 H VAL A 49 -2.081 17.666 -0.713 1.00 0.00 H new ATOM 0 HA VAL A 49 0.747 17.607 0.095 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.116 15.705 1.397 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.181 16.367 3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.237 15.904 2.034 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.999 17.623 2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.035 17.347 2.971 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.330 18.663 2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.598 17.627 1.307 1.00 0.00 H new ATOM 797 N VAL A 50 1.129 15.603 -1.340 1.00 0.00 N ATOM 798 CA VAL A 50 1.390 14.406 -2.123 1.00 0.00 C ATOM 799 C VAL A 50 1.898 13.293 -1.235 1.00 0.00 C ATOM 800 O VAL A 50 2.579 13.536 -0.240 1.00 0.00 O ATOM 801 CB VAL A 50 2.404 14.641 -3.258 1.00 0.00 C ATOM 802 CG1 VAL A 50 3.092 13.340 -3.642 1.00 0.00 C ATOM 803 CG2 VAL A 50 1.707 15.210 -4.463 1.00 0.00 C ATOM 0 H VAL A 50 1.920 16.242 -1.261 1.00 0.00 H new ATOM 0 HA VAL A 50 0.439 14.126 -2.577 1.00 0.00 H new ATOM 0 HB VAL A 50 3.155 15.347 -2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.804 13.528 -4.445 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.619 12.938 -2.777 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.346 12.620 -3.979 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.433 15.373 -5.260 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.943 14.512 -4.805 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.240 16.159 -4.199 1.00 0.00 H new ATOM 813 N TYR A 51 1.570 12.072 -1.609 1.00 0.00 N ATOM 814 CA TYR A 51 2.008 10.917 -0.846 1.00 0.00 C ATOM 815 C TYR A 51 2.444 9.797 -1.774 1.00 0.00 C ATOM 816 O TYR A 51 1.615 9.108 -2.369 1.00 0.00 O ATOM 817 CB TYR A 51 0.901 10.446 0.095 1.00 0.00 C ATOM 818 CG TYR A 51 0.788 11.294 1.343 1.00 0.00 C ATOM 819 CD1 TYR A 51 1.799 11.296 2.297 1.00 0.00 C ATOM 820 CD2 TYR A 51 -0.323 12.096 1.565 1.00 0.00 C ATOM 821 CE1 TYR A 51 1.704 12.071 3.436 1.00 0.00 C ATOM 822 CE2 TYR A 51 -0.426 12.875 2.702 1.00 0.00 C ATOM 823 CZ TYR A 51 0.590 12.859 3.635 1.00 0.00 C ATOM 824 OH TYR A 51 0.492 13.633 4.768 1.00 0.00 O ATOM 0 H TYR A 51 1.006 11.853 -2.430 1.00 0.00 H new ATOM 0 HA TYR A 51 2.867 11.208 -0.241 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.051 10.461 -0.436 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.090 9.411 0.381 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.674 10.681 2.145 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.120 12.112 0.837 1.00 0.00 H new ATOM 0 HE1 TYR A 51 2.498 12.060 4.168 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.298 13.493 2.859 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.354 14.128 4.754 1.00 0.00 H new ATOM 834 N GLU A 52 3.756 9.613 -1.886 1.00 0.00 N ATOM 835 CA GLU A 52 4.299 8.567 -2.735 1.00 0.00 C ATOM 836 C GLU A 52 4.456 7.302 -1.922 1.00 0.00 C ATOM 837 O GLU A 52 5.040 7.327 -0.843 1.00 0.00 O ATOM 838 CB GLU A 52 5.649 8.992 -3.315 1.00 0.00 C ATOM 839 CG GLU A 52 6.281 7.948 -4.222 1.00 0.00 C ATOM 840 CD GLU A 52 7.794 7.929 -4.122 1.00 0.00 C ATOM 841 OE1 GLU A 52 8.393 9.015 -3.980 1.00 0.00 O ATOM 842 OE2 GLU A 52 8.379 6.827 -4.184 1.00 0.00 O ATOM 0 H GLU A 52 4.457 10.173 -1.401 1.00 0.00 H new ATOM 0 HA GLU A 52 3.615 8.387 -3.564 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.518 9.917 -3.877 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.334 9.211 -2.496 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.891 6.963 -3.964 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.991 8.145 -5.254 1.00 0.00 H new ATOM 849 N GLY A 53 3.927 6.206 -2.431 1.00 0.00 N ATOM 850 CA GLY A 53 4.015 4.959 -1.709 1.00 0.00 C ATOM 851 C GLY A 53 4.240 3.766 -2.603 1.00 0.00 C ATOM 852 O GLY A 53 3.770 3.726 -3.730 1.00 0.00 O ATOM 0 H GLY A 53 3.441 6.156 -3.326 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.829 5.022 -0.987 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.097 4.811 -1.141 1.00 0.00 H new ATOM 856 N GLN A 54 4.951 2.783 -2.084 1.00 0.00 N ATOM 857 CA GLN A 54 5.229 1.570 -2.824 1.00 0.00 C ATOM 858 C GLN A 54 4.974 0.360 -1.936 1.00 0.00 C ATOM 859 O GLN A 54 5.299 0.374 -0.748 1.00 0.00 O ATOM 860 CB GLN A 54 6.663 1.577 -3.352 1.00 0.00 C ATOM 861 CG GLN A 54 7.718 1.600 -2.271 1.00 0.00 C ATOM 862 CD GLN A 54 8.000 2.998 -1.754 1.00 0.00 C ATOM 863 OE1 GLN A 54 7.734 3.990 -2.433 1.00 0.00 O ATOM 864 NE2 GLN A 54 8.545 3.083 -0.546 1.00 0.00 N ATOM 0 H GLN A 54 5.349 2.803 -1.145 1.00 0.00 H new ATOM 0 HA GLN A 54 4.563 1.515 -3.685 1.00 0.00 H new ATOM 0 HB2 GLN A 54 6.814 0.695 -3.974 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.798 2.447 -3.995 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.396 0.969 -1.442 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.640 1.169 -2.661 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.749 2.235 -0.018 1.00 0.00 H new ATOM 0 HE22 GLN A 54 8.760 3.997 -0.146 1.00 0.00 H new ATOM 873 N LEU A 55 4.369 -0.672 -2.504 1.00 0.00 N ATOM 874 CA LEU A 55 4.051 -1.869 -1.738 1.00 0.00 C ATOM 875 C LEU A 55 5.067 -2.974 -1.977 1.00 0.00 C ATOM 876 O LEU A 55 5.090 -3.597 -3.038 1.00 0.00 O ATOM 877 CB LEU A 55 2.650 -2.371 -2.089 1.00 0.00 C ATOM 878 CG LEU A 55 1.795 -2.787 -0.892 1.00 0.00 C ATOM 879 CD1 LEU A 55 0.385 -3.130 -1.338 1.00 0.00 C ATOM 880 CD2 LEU A 55 2.426 -3.966 -0.166 1.00 0.00 C ATOM 0 H LEU A 55 4.090 -0.706 -3.484 1.00 0.00 H new ATOM 0 HA LEU A 55 4.085 -1.599 -0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.126 -1.587 -2.636 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.744 -3.222 -2.763 1.00 0.00 H new ATOM 0 HG LEU A 55 1.743 -1.946 -0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.209 -3.424 -0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.069 -2.259 -1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.419 -3.954 -2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.802 -4.247 0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.511 -4.811 -0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.418 -3.686 0.189 1.00 0.00 H new ATOM 892 N ILE A 56 5.895 -3.223 -0.969 1.00 0.00 N ATOM 893 CA ILE A 56 6.903 -4.264 -1.054 1.00 0.00 C ATOM 894 C ILE A 56 6.443 -5.503 -0.295 1.00 0.00 C ATOM 895 O ILE A 56 6.297 -5.477 0.928 1.00 0.00 O ATOM 896 CB ILE A 56 8.256 -3.786 -0.487 1.00 0.00 C ATOM 897 CG1 ILE A 56 8.756 -2.562 -1.260 1.00 0.00 C ATOM 898 CG2 ILE A 56 9.283 -4.907 -0.545 1.00 0.00 C ATOM 899 CD1 ILE A 56 8.299 -1.241 -0.676 1.00 0.00 C ATOM 0 H ILE A 56 5.885 -2.716 -0.084 1.00 0.00 H new ATOM 0 HA ILE A 56 7.039 -4.508 -2.108 1.00 0.00 H new ATOM 0 HB ILE A 56 8.113 -3.503 0.556 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.846 -2.580 -1.285 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.412 -2.631 -2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.231 -4.553 -0.141 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.931 -5.754 0.045 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.423 -5.219 -1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.693 -0.422 -1.277 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.210 -1.200 -0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.665 -1.149 0.347 1.00 0.00 H new ATOM 911 N SER A 57 6.211 -6.586 -1.028 1.00 0.00 N ATOM 912 CA SER A 57 5.761 -7.834 -0.428 1.00 0.00 C ATOM 913 C SER A 57 6.943 -8.678 0.028 1.00 0.00 C ATOM 914 O SER A 57 7.941 -8.804 -0.676 1.00 0.00 O ATOM 915 CB SER A 57 4.903 -8.622 -1.415 1.00 0.00 C ATOM 916 OG SER A 57 4.106 -7.756 -2.204 1.00 0.00 O ATOM 0 H SER A 57 6.328 -6.624 -2.041 1.00 0.00 H new ATOM 0 HA SER A 57 5.158 -7.588 0.446 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.544 -9.221 -2.062 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.262 -9.316 -0.871 1.00 0.00 H new ATOM 0 HG SER A 57 3.269 -7.562 -1.733 1.00 0.00 H new ATOM 922 N ILE A 58 6.817 -9.239 1.220 1.00 0.00 N ATOM 923 CA ILE A 58 7.860 -10.079 1.801 1.00 0.00 C ATOM 924 C ILE A 58 7.371 -11.503 2.061 1.00 0.00 C ATOM 925 O ILE A 58 6.307 -11.703 2.653 1.00 0.00 O ATOM 926 CB ILE A 58 8.396 -9.484 3.114 1.00 0.00 C ATOM 927 CG1 ILE A 58 8.838 -8.040 2.888 1.00 0.00 C ATOM 928 CG2 ILE A 58 9.550 -10.322 3.639 1.00 0.00 C ATOM 929 CD1 ILE A 58 7.841 -7.018 3.385 1.00 0.00 C ATOM 0 H ILE A 58 5.994 -9.128 1.812 1.00 0.00 H new ATOM 0 HA ILE A 58 8.665 -10.115 1.067 1.00 0.00 H new ATOM 0 HB ILE A 58 7.601 -9.492 3.859 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.792 -7.878 3.389 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.007 -7.883 1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.920 -9.890 4.569 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.206 -11.340 3.824 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.353 -10.338 2.902 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.221 -6.015 3.191 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.892 -7.153 2.866 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.690 -7.148 4.457 1.00 0.00 H new ATOM 941 N GLN A 59 8.164 -12.491 1.647 1.00 0.00 N ATOM 942 CA GLN A 59 7.817 -13.891 1.871 1.00 0.00 C ATOM 943 C GLN A 59 8.441 -14.387 3.176 1.00 0.00 C ATOM 944 O GLN A 59 9.046 -13.609 3.914 1.00 0.00 O ATOM 945 CB GLN A 59 8.262 -14.771 0.693 1.00 0.00 C ATOM 946 CG GLN A 59 7.549 -16.117 0.650 1.00 0.00 C ATOM 947 CD GLN A 59 7.574 -16.774 -0.716 1.00 0.00 C ATOM 948 OE1 GLN A 59 7.929 -16.156 -1.716 1.00 0.00 O ATOM 949 NE2 GLN A 59 7.193 -18.044 -0.762 1.00 0.00 N ATOM 0 H GLN A 59 9.047 -12.347 1.157 1.00 0.00 H new ATOM 0 HA GLN A 59 6.732 -13.963 1.949 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.078 -14.239 -0.240 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.337 -14.938 0.758 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.012 -16.787 1.375 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.513 -15.980 0.959 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.905 -18.521 0.092 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.188 -18.543 -1.652 1.00 0.00 H new ATOM 958 N GLN A 60 8.279 -15.674 3.464 1.00 0.00 N ATOM 959 CA GLN A 60 8.812 -16.260 4.691 1.00 0.00 C ATOM 960 C GLN A 60 10.332 -16.124 4.768 1.00 0.00 C ATOM 961 O GLN A 60 10.894 -16.039 5.860 1.00 0.00 O ATOM 962 CB GLN A 60 8.420 -17.738 4.795 1.00 0.00 C ATOM 963 CG GLN A 60 7.138 -18.090 4.057 1.00 0.00 C ATOM 964 CD GLN A 60 6.788 -19.561 4.164 1.00 0.00 C ATOM 965 OE1 GLN A 60 6.729 -20.120 5.260 1.00 0.00 O ATOM 966 NE2 GLN A 60 6.554 -20.199 3.022 1.00 0.00 N ATOM 0 H GLN A 60 7.782 -16.333 2.864 1.00 0.00 H new ATOM 0 HA GLN A 60 8.379 -15.711 5.527 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.233 -18.348 4.401 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.306 -18.000 5.847 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.317 -17.495 4.458 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.243 -17.821 3.006 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.614 -19.697 2.136 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.315 -21.190 3.031 1.00 0.00 H new ATOM 975 N TYR A 61 10.999 -16.102 3.614 1.00 0.00 N ATOM 976 CA TYR A 61 12.455 -15.976 3.592 1.00 0.00 C ATOM 977 C TYR A 61 12.884 -14.548 3.260 1.00 0.00 C ATOM 978 O TYR A 61 14.069 -14.279 3.064 1.00 0.00 O ATOM 979 CB TYR A 61 13.085 -16.957 2.597 1.00 0.00 C ATOM 980 CG TYR A 61 12.167 -17.400 1.480 1.00 0.00 C ATOM 981 CD1 TYR A 61 11.758 -16.512 0.493 1.00 0.00 C ATOM 982 CD2 TYR A 61 11.722 -18.714 1.405 1.00 0.00 C ATOM 983 CE1 TYR A 61 10.929 -16.921 -0.536 1.00 0.00 C ATOM 984 CE2 TYR A 61 10.893 -19.131 0.381 1.00 0.00 C ATOM 985 CZ TYR A 61 10.501 -18.231 -0.587 1.00 0.00 C ATOM 986 OH TYR A 61 9.679 -18.643 -1.610 1.00 0.00 O ATOM 0 H TYR A 61 10.562 -16.169 2.695 1.00 0.00 H new ATOM 0 HA TYR A 61 12.812 -16.221 4.592 1.00 0.00 H new ATOM 0 HB2 TYR A 61 13.969 -16.493 2.160 1.00 0.00 H new ATOM 0 HB3 TYR A 61 13.424 -17.838 3.142 1.00 0.00 H new ATOM 0 HD1 TYR A 61 12.093 -15.486 0.530 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.029 -19.422 2.160 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.619 -16.218 -1.295 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.554 -20.156 0.339 1.00 0.00 H new ATOM 0 HH TYR A 61 9.470 -19.594 -1.499 1.00 0.00 H new ATOM 996 N GLY A 62 11.919 -13.635 3.211 1.00 0.00 N ATOM 997 CA GLY A 62 12.230 -12.247 2.917 1.00 0.00 C ATOM 998 C GLY A 62 12.095 -11.906 1.444 1.00 0.00 C ATOM 999 O GLY A 62 12.340 -12.751 0.583 1.00 0.00 O ATOM 0 H GLY A 62 10.930 -13.830 3.369 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.568 -11.602 3.495 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.248 -12.032 3.242 1.00 0.00 H new ATOM 1003 N HIS A 63 11.708 -10.660 1.162 1.00 0.00 N ATOM 1004 CA HIS A 63 11.541 -10.189 -0.214 1.00 0.00 C ATOM 1005 C HIS A 63 10.421 -10.939 -0.923 1.00 0.00 C ATOM 1006 O HIS A 63 10.080 -12.057 -0.542 1.00 0.00 O ATOM 1007 CB HIS A 63 12.845 -10.362 -0.993 1.00 0.00 C ATOM 1008 CG HIS A 63 14.001 -9.618 -0.399 1.00 0.00 C ATOM 1009 ND1 HIS A 63 13.810 -8.594 0.496 1.00 0.00 N ATOM 1010 CD2 HIS A 63 15.330 -9.785 -0.605 1.00 0.00 C ATOM 1011 CE1 HIS A 63 15.017 -8.161 0.814 1.00 0.00 C ATOM 1012 NE2 HIS A 63 15.970 -8.852 0.171 1.00 0.00 N ATOM 0 H HIS A 63 11.504 -9.957 1.872 1.00 0.00 H new ATOM 0 HA HIS A 63 11.277 -9.132 -0.174 1.00 0.00 H new ATOM 0 HB2 HIS A 63 13.092 -11.423 -1.041 1.00 0.00 H new ATOM 0 HB3 HIS A 63 12.694 -10.024 -2.018 1.00 0.00 H new ATOM 0 HD2 HIS A 63 15.795 -10.512 -1.254 1.00 0.00 H new ATOM 0 HE1 HIS A 63 15.212 -7.353 1.504 1.00 0.00 H new ATOM 0 HE2 HIS A 63 16.977 -8.711 0.245 1.00 0.00 H new ATOM 1020 N GLN A 64 9.859 -10.324 -1.968 1.00 0.00 N ATOM 1021 CA GLN A 64 8.787 -10.956 -2.732 1.00 0.00 C ATOM 1022 C GLN A 64 8.312 -10.087 -3.893 1.00 0.00 C ATOM 1023 O GLN A 64 8.313 -10.527 -5.043 1.00 0.00 O ATOM 1024 CB GLN A 64 7.596 -11.291 -1.830 1.00 0.00 C ATOM 1025 CG GLN A 64 7.187 -12.755 -1.859 1.00 0.00 C ATOM 1026 CD GLN A 64 8.124 -13.614 -2.687 1.00 0.00 C ATOM 1027 OE1 GLN A 64 7.839 -13.930 -3.841 1.00 0.00 O ATOM 1028 NE2 GLN A 64 9.251 -13.996 -2.097 1.00 0.00 N ATOM 0 H GLN A 64 10.128 -9.398 -2.300 1.00 0.00 H new ATOM 0 HA GLN A 64 9.203 -11.875 -3.144 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.841 -11.014 -0.805 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.744 -10.681 -2.130 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.157 -13.139 -0.839 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.177 -12.837 -2.261 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.447 -13.710 -1.138 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.921 -14.575 -2.603 1.00 0.00 H new ATOM 1037 N GLU A 65 7.871 -8.868 -3.591 1.00 0.00 N ATOM 1038 CA GLU A 65 7.357 -7.975 -4.625 1.00 0.00 C ATOM 1039 C GLU A 65 7.693 -6.511 -4.349 1.00 0.00 C ATOM 1040 O GLU A 65 7.684 -6.069 -3.204 1.00 0.00 O ATOM 1041 CB GLU A 65 5.840 -8.136 -4.711 1.00 0.00 C ATOM 1042 CG GLU A 65 5.289 -7.993 -6.120 1.00 0.00 C ATOM 1043 CD GLU A 65 3.832 -7.570 -6.138 1.00 0.00 C ATOM 1044 OE1 GLU A 65 3.045 -8.115 -5.336 1.00 0.00 O ATOM 1045 OE2 GLU A 65 3.479 -6.693 -6.955 1.00 0.00 O ATOM 0 H GLU A 65 7.859 -8.479 -2.648 1.00 0.00 H new ATOM 0 HA GLU A 65 7.833 -8.248 -5.567 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.565 -9.116 -4.321 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.368 -7.393 -4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.883 -7.260 -6.665 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.394 -8.942 -6.645 1.00 0.00 H new ATOM 1052 N VAL A 66 7.963 -5.757 -5.414 1.00 0.00 N ATOM 1053 CA VAL A 66 8.266 -4.334 -5.289 1.00 0.00 C ATOM 1054 C VAL A 66 7.515 -3.523 -6.342 1.00 0.00 C ATOM 1055 O VAL A 66 7.781 -3.651 -7.538 1.00 0.00 O ATOM 1056 CB VAL A 66 9.772 -4.038 -5.419 1.00 0.00 C ATOM 1057 CG1 VAL A 66 10.024 -2.539 -5.310 1.00 0.00 C ATOM 1058 CG2 VAL A 66 10.563 -4.797 -4.365 1.00 0.00 C ATOM 0 H VAL A 66 7.978 -6.108 -6.371 1.00 0.00 H new ATOM 0 HA VAL A 66 7.943 -4.042 -4.290 1.00 0.00 H new ATOM 0 HB VAL A 66 10.109 -4.375 -6.399 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.092 -2.342 -5.403 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.489 -2.021 -6.106 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.672 -2.180 -4.343 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.624 -4.573 -4.475 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.230 -4.495 -3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 66 10.403 -5.868 -4.491 1.00 0.00 H new ATOM 1068 N THR A 67 6.589 -2.684 -5.894 1.00 0.00 N ATOM 1069 CA THR A 67 5.815 -1.846 -6.803 1.00 0.00 C ATOM 1070 C THR A 67 5.680 -0.432 -6.253 1.00 0.00 C ATOM 1071 O THR A 67 5.148 -0.232 -5.164 1.00 0.00 O ATOM 1072 CB THR A 67 4.410 -2.430 -7.048 1.00 0.00 C ATOM 1073 OG1 THR A 67 4.513 -3.714 -7.678 1.00 0.00 O ATOM 1074 CG2 THR A 67 3.576 -1.502 -7.922 1.00 0.00 C ATOM 0 H THR A 67 6.356 -2.565 -4.908 1.00 0.00 H new ATOM 0 HA THR A 67 6.354 -1.817 -7.750 1.00 0.00 H new ATOM 0 HB THR A 67 3.917 -2.535 -6.082 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.615 -4.078 -7.828 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.590 -1.939 -8.079 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.471 -0.535 -7.429 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.070 -1.367 -8.884 1.00 0.00 H new ATOM 1082 N ARG A 68 6.164 0.546 -7.014 1.00 0.00 N ATOM 1083 CA ARG A 68 6.101 1.944 -6.603 1.00 0.00 C ATOM 1084 C ARG A 68 4.912 2.650 -7.248 1.00 0.00 C ATOM 1085 O ARG A 68 4.687 2.526 -8.452 1.00 0.00 O ATOM 1086 CB ARG A 68 7.398 2.657 -6.977 1.00 0.00 C ATOM 1087 CG ARG A 68 8.634 2.012 -6.376 1.00 0.00 C ATOM 1088 CD ARG A 68 9.866 2.254 -7.233 1.00 0.00 C ATOM 1089 NE ARG A 68 9.855 3.578 -7.852 1.00 0.00 N ATOM 1090 CZ ARG A 68 10.719 4.542 -7.551 1.00 0.00 C ATOM 1091 NH1 ARG A 68 11.662 4.333 -6.642 1.00 0.00 N ATOM 1092 NH2 ARG A 68 10.642 5.718 -8.160 1.00 0.00 N ATOM 0 H ARG A 68 6.605 0.394 -7.921 1.00 0.00 H new ATOM 0 HA ARG A 68 5.972 1.977 -5.521 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.496 2.672 -8.062 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.342 3.695 -6.648 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.803 2.410 -5.375 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.470 0.940 -6.269 1.00 0.00 H new ATOM 0 HD2 ARG A 68 10.760 2.149 -6.619 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.922 1.492 -8.010 1.00 0.00 H new ATOM 0 HE ARG A 68 9.143 3.773 -8.556 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.726 3.430 -6.172 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.323 5.075 -6.413 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.919 5.883 -8.860 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.306 6.457 -7.928 1.00 0.00 H new ATOM 1106 N PHE A 69 4.149 3.387 -6.444 1.00 0.00 N ATOM 1107 CA PHE A 69 2.978 4.104 -6.953 1.00 0.00 C ATOM 1108 C PHE A 69 2.700 5.393 -6.171 1.00 0.00 C ATOM 1109 O PHE A 69 2.654 5.395 -4.945 1.00 0.00 O ATOM 1110 CB PHE A 69 1.748 3.189 -6.916 1.00 0.00 C ATOM 1111 CG PHE A 69 1.355 2.734 -5.535 1.00 0.00 C ATOM 1112 CD1 PHE A 69 2.097 1.770 -4.864 1.00 0.00 C ATOM 1113 CD2 PHE A 69 0.236 3.263 -4.912 1.00 0.00 C ATOM 1114 CE1 PHE A 69 1.728 1.349 -3.600 1.00 0.00 C ATOM 1115 CE2 PHE A 69 -0.135 2.846 -3.647 1.00 0.00 C ATOM 1116 CZ PHE A 69 0.613 1.887 -2.991 1.00 0.00 C ATOM 0 H PHE A 69 4.317 3.504 -5.445 1.00 0.00 H new ATOM 0 HA PHE A 69 3.193 4.391 -7.983 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.906 3.714 -7.366 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.944 2.312 -7.533 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.971 1.345 -5.335 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.354 4.011 -5.421 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.313 0.599 -3.089 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -1.008 3.269 -3.172 1.00 0.00 H new ATOM 0 HZ PHE A 69 0.325 1.559 -2.003 1.00 0.00 H new ATOM 1126 N ASP A 70 2.496 6.490 -6.897 1.00 0.00 N ATOM 1127 CA ASP A 70 2.205 7.780 -6.273 1.00 0.00 C ATOM 1128 C ASP A 70 0.698 8.004 -6.216 1.00 0.00 C ATOM 1129 O ASP A 70 -0.021 7.629 -7.143 1.00 0.00 O ATOM 1130 CB ASP A 70 2.875 8.913 -7.053 1.00 0.00 C ATOM 1131 CG ASP A 70 4.352 8.662 -7.288 1.00 0.00 C ATOM 1132 OD1 ASP A 70 4.684 7.694 -8.005 1.00 0.00 O ATOM 1133 OD2 ASP A 70 5.177 9.432 -6.753 1.00 0.00 O ATOM 0 H ASP A 70 2.527 6.512 -7.916 1.00 0.00 H new ATOM 0 HA ASP A 70 2.602 7.774 -5.258 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.373 9.035 -8.013 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.751 9.848 -6.507 1.00 0.00 H new ATOM 1138 N PHE A 71 0.214 8.592 -5.123 1.00 0.00 N ATOM 1139 CA PHE A 71 -1.219 8.821 -4.977 1.00 0.00 C ATOM 1140 C PHE A 71 -1.531 10.018 -4.082 1.00 0.00 C ATOM 1141 O PHE A 71 -0.702 10.457 -3.282 1.00 0.00 O ATOM 1142 CB PHE A 71 -1.882 7.567 -4.408 1.00 0.00 C ATOM 1143 CG PHE A 71 -1.466 7.260 -2.998 1.00 0.00 C ATOM 1144 CD1 PHE A 71 -0.273 6.600 -2.741 1.00 0.00 C ATOM 1145 CD2 PHE A 71 -2.264 7.633 -1.928 1.00 0.00 C ATOM 1146 CE1 PHE A 71 0.115 6.318 -1.445 1.00 0.00 C ATOM 1147 CE2 PHE A 71 -1.881 7.353 -0.629 1.00 0.00 C ATOM 1148 CZ PHE A 71 -0.690 6.695 -0.388 1.00 0.00 C ATOM 0 H PHE A 71 0.783 8.913 -4.339 1.00 0.00 H new ATOM 0 HA PHE A 71 -1.616 9.044 -5.967 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.964 7.691 -4.441 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.639 6.716 -5.044 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.360 6.303 -3.564 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.195 8.148 -2.111 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.046 5.804 -1.259 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.512 7.648 0.196 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.389 6.476 0.626 1.00 0.00 H new ATOM 1158 N THR A 72 -2.755 10.522 -4.223 1.00 0.00 N ATOM 1159 CA THR A 72 -3.239 11.649 -3.439 1.00 0.00 C ATOM 1160 C THR A 72 -4.742 11.512 -3.208 1.00 0.00 C ATOM 1161 O THR A 72 -5.395 10.685 -3.844 1.00 0.00 O ATOM 1162 CB THR A 72 -2.940 12.993 -4.127 1.00 0.00 C ATOM 1163 OG1 THR A 72 -3.005 12.841 -5.551 1.00 0.00 O ATOM 1164 CG2 THR A 72 -1.562 13.503 -3.727 1.00 0.00 C ATOM 0 H THR A 72 -3.438 10.157 -4.887 1.00 0.00 H new ATOM 0 HA THR A 72 -2.715 11.638 -2.483 1.00 0.00 H new ATOM 0 HB THR A 72 -3.689 13.718 -3.808 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.496 13.596 -5.938 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.368 14.454 -4.223 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.525 13.643 -2.647 1.00 0.00 H new ATOM 0 HG23 THR A 72 -0.805 12.777 -4.025 1.00 0.00 H new ATOM 1172 N THR A 73 -5.290 12.309 -2.298 1.00 0.00 N ATOM 1173 CA THR A 73 -6.718 12.247 -2.002 1.00 0.00 C ATOM 1174 C THR A 73 -7.500 13.309 -2.771 1.00 0.00 C ATOM 1175 O THR A 73 -8.537 13.017 -3.367 1.00 0.00 O ATOM 1176 CB THR A 73 -6.988 12.417 -0.498 1.00 0.00 C ATOM 1177 OG1 THR A 73 -8.397 12.353 -0.242 1.00 0.00 O ATOM 1178 CG2 THR A 73 -6.437 13.741 0.003 1.00 0.00 C ATOM 0 H THR A 73 -4.773 13.001 -1.756 1.00 0.00 H new ATOM 0 HA THR A 73 -7.056 11.260 -2.318 1.00 0.00 H new ATOM 0 HB THR A 73 -6.486 11.608 0.033 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.560 12.461 0.718 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.640 13.839 1.069 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.361 13.775 -0.166 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.915 14.560 -0.534 1.00 0.00 H new ATOM 1186 N THR A 74 -7.002 14.540 -2.749 1.00 0.00 N ATOM 1187 CA THR A 74 -7.657 15.645 -3.439 1.00 0.00 C ATOM 1188 C THR A 74 -6.639 16.495 -4.192 1.00 0.00 C ATOM 1189 O THR A 74 -6.997 17.444 -4.890 1.00 0.00 O ATOM 1190 CB THR A 74 -8.448 16.537 -2.454 1.00 0.00 C ATOM 1191 OG1 THR A 74 -8.596 17.857 -2.988 1.00 0.00 O ATOM 1192 CG2 THR A 74 -7.755 16.611 -1.098 1.00 0.00 C ATOM 0 H THR A 74 -6.145 14.798 -2.260 1.00 0.00 H new ATOM 0 HA THR A 74 -8.357 15.210 -4.152 1.00 0.00 H new ATOM 0 HB THR A 74 -9.432 16.088 -2.317 1.00 0.00 H new ATOM 0 HG1 THR A 74 -8.356 17.854 -3.938 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.335 17.245 -0.427 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.677 15.610 -0.674 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.757 17.031 -1.222 1.00 0.00 H new ATOM 1200 N SER A 75 -5.366 16.140 -4.050 1.00 0.00 N ATOM 1201 CA SER A 75 -4.289 16.863 -4.716 1.00 0.00 C ATOM 1202 C SER A 75 -4.025 16.285 -6.104 1.00 0.00 C ATOM 1203 O SER A 75 -4.493 15.194 -6.433 1.00 0.00 O ATOM 1204 CB SER A 75 -3.014 16.805 -3.872 1.00 0.00 C ATOM 1205 OG SER A 75 -3.316 16.554 -2.510 1.00 0.00 O ATOM 0 H SER A 75 -5.055 15.354 -3.479 1.00 0.00 H new ATOM 0 HA SER A 75 -4.594 17.903 -4.829 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.357 16.023 -4.252 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.472 17.747 -3.960 1.00 0.00 H new ATOM 0 HG SER A 75 -2.565 16.086 -2.089 1.00 0.00 H new ATOM 1211 N THR A 76 -3.275 17.026 -6.916 1.00 0.00 N ATOM 1212 CA THR A 76 -2.952 16.590 -8.270 1.00 0.00 C ATOM 1213 C THR A 76 -1.647 15.800 -8.304 1.00 0.00 C ATOM 1214 O THR A 76 -0.560 16.380 -8.291 1.00 0.00 O ATOM 1215 CB THR A 76 -2.835 17.788 -9.232 1.00 0.00 C ATOM 1216 OG1 THR A 76 -2.785 19.011 -8.490 1.00 0.00 O ATOM 1217 CG2 THR A 76 -4.010 17.824 -10.197 1.00 0.00 C ATOM 0 H THR A 76 -2.880 17.931 -6.659 1.00 0.00 H new ATOM 0 HA THR A 76 -3.770 15.946 -8.594 1.00 0.00 H new ATOM 0 HB THR A 76 -1.916 17.674 -9.806 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.709 19.767 -9.109 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.905 18.678 -10.866 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.028 16.905 -10.782 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.940 17.915 -9.635 1.00 0.00 H new ATOM 1225 N SER A 77 -1.764 14.476 -8.351 1.00 0.00 N ATOM 1226 CA SER A 77 -0.594 13.602 -8.391 1.00 0.00 C ATOM 1227 C SER A 77 -1.005 12.148 -8.596 1.00 0.00 C ATOM 1228 O SER A 77 -1.500 11.498 -7.674 1.00 0.00 O ATOM 1229 CB SER A 77 0.216 13.735 -7.100 1.00 0.00 C ATOM 1230 OG SER A 77 1.584 13.981 -7.379 1.00 0.00 O ATOM 0 H SER A 77 -2.657 13.984 -8.362 1.00 0.00 H new ATOM 0 HA SER A 77 0.025 13.909 -9.234 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.187 14.548 -6.496 1.00 0.00 H new ATOM 0 HB3 SER A 77 0.120 12.823 -6.511 1.00 0.00 H new ATOM 0 HG SER A 77 1.677 14.854 -7.815 1.00 0.00 H new ATOM 1236 N THR A 78 -0.794 11.643 -9.806 1.00 0.00 N ATOM 1237 CA THR A 78 -1.141 10.265 -10.133 1.00 0.00 C ATOM 1238 C THR A 78 -0.533 9.848 -11.470 1.00 0.00 C ATOM 1239 O THR A 78 -0.847 10.428 -12.510 1.00 0.00 O ATOM 1240 CB THR A 78 -2.668 10.069 -10.191 1.00 0.00 C ATOM 1241 OG1 THR A 78 -3.328 11.340 -10.187 1.00 0.00 O ATOM 1242 CG2 THR A 78 -3.153 9.238 -9.011 1.00 0.00 C ATOM 0 H THR A 78 -0.384 12.168 -10.578 1.00 0.00 H new ATOM 0 HA THR A 78 -0.733 9.638 -9.340 1.00 0.00 H new ATOM 0 HB THR A 78 -2.907 9.539 -11.113 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.298 11.205 -10.226 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.234 9.113 -9.074 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.673 8.260 -9.033 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.900 9.745 -8.080 1.00 0.00 H new ATOM 1250 N PRO A 79 0.352 8.832 -11.465 1.00 0.00 N ATOM 1251 CA PRO A 79 1.000 8.345 -12.689 1.00 0.00 C ATOM 1252 C PRO A 79 0.005 7.730 -13.666 1.00 0.00 C ATOM 1253 O PRO A 79 -1.013 7.170 -13.258 1.00 0.00 O ATOM 1254 CB PRO A 79 1.981 7.283 -12.183 1.00 0.00 C ATOM 1255 CG PRO A 79 1.435 6.856 -10.865 1.00 0.00 C ATOM 1256 CD PRO A 79 0.787 8.077 -10.275 1.00 0.00 C ATOM 0 HA PRO A 79 1.479 9.153 -13.241 1.00 0.00 H new ATOM 0 HB2 PRO A 79 2.046 6.443 -12.875 1.00 0.00 H new ATOM 0 HB3 PRO A 79 2.987 7.690 -12.081 1.00 0.00 H new ATOM 0 HG2 PRO A 79 0.712 6.049 -10.984 1.00 0.00 H new ATOM 0 HG3 PRO A 79 2.227 6.482 -10.216 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -0.054 7.817 -9.633 1.00 0.00 H new ATOM 0 HD3 PRO A 79 1.486 8.651 -9.667 1.00 0.00 H new ATOM 1264 N GLY A 80 0.305 7.839 -14.956 1.00 0.00 N ATOM 1265 CA GLY A 80 -0.573 7.290 -15.972 1.00 0.00 C ATOM 1266 C GLY A 80 0.072 6.160 -16.750 1.00 0.00 C ATOM 1267 O GLY A 80 -0.620 5.292 -17.282 1.00 0.00 O ATOM 0 H GLY A 80 1.142 8.298 -15.316 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.486 6.927 -15.500 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.864 8.082 -16.662 1.00 0.00 H new ATOM 1271 N SER A 81 1.399 6.170 -16.815 1.00 0.00 N ATOM 1272 CA SER A 81 2.137 5.138 -17.534 1.00 0.00 C ATOM 1273 C SER A 81 3.521 4.937 -16.924 1.00 0.00 C ATOM 1274 O SER A 81 4.538 5.109 -17.597 1.00 0.00 O ATOM 1275 CB SER A 81 2.263 5.508 -19.013 1.00 0.00 C ATOM 1276 OG SER A 81 1.929 6.868 -19.230 1.00 0.00 O ATOM 0 H SER A 81 1.986 6.881 -16.379 1.00 0.00 H new ATOM 0 HA SER A 81 1.584 4.202 -17.449 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.282 5.322 -19.352 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.608 4.870 -19.607 1.00 0.00 H new ATOM 0 HG SER A 81 2.019 7.079 -20.183 1.00 0.00 H new ATOM 1282 N ARG A 82 3.547 4.575 -15.642 1.00 0.00 N ATOM 1283 CA ARG A 82 4.797 4.347 -14.922 1.00 0.00 C ATOM 1284 C ARG A 82 5.605 5.636 -14.792 1.00 0.00 C ATOM 1285 O ARG A 82 5.444 6.567 -15.580 1.00 0.00 O ATOM 1286 CB ARG A 82 5.633 3.273 -15.625 1.00 0.00 C ATOM 1287 CG ARG A 82 5.590 1.919 -14.936 1.00 0.00 C ATOM 1288 CD ARG A 82 6.313 1.950 -13.599 1.00 0.00 C ATOM 1289 NE ARG A 82 6.265 0.659 -12.918 1.00 0.00 N ATOM 1290 CZ ARG A 82 7.336 -0.095 -12.694 1.00 0.00 C ATOM 1291 NH1 ARG A 82 8.533 0.305 -13.103 1.00 0.00 N ATOM 1292 NH2 ARG A 82 7.212 -1.253 -12.060 1.00 0.00 N ATOM 0 H ARG A 82 2.709 4.433 -15.078 1.00 0.00 H new ATOM 0 HA ARG A 82 4.544 4.001 -13.920 1.00 0.00 H new ATOM 0 HB2 ARG A 82 5.278 3.161 -16.649 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.668 3.610 -15.681 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.553 1.620 -14.783 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.046 1.167 -15.580 1.00 0.00 H new ATOM 0 HD2 ARG A 82 7.352 2.238 -13.756 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.864 2.712 -12.962 1.00 0.00 H new ATOM 0 HE ARG A 82 5.359 0.317 -12.597 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.634 1.195 -13.592 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.352 -0.277 -12.929 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.294 -1.566 -11.744 1.00 0.00 H new ATOM 0 HH22 ARG A 82 8.035 -1.831 -11.888 1.00 0.00 H new ATOM 1306 N SER A 83 6.475 5.680 -13.787 1.00 0.00 N ATOM 1307 CA SER A 83 7.311 6.850 -13.548 1.00 0.00 C ATOM 1308 C SER A 83 8.463 6.910 -14.546 1.00 0.00 C ATOM 1309 O SER A 83 8.796 5.912 -15.184 1.00 0.00 O ATOM 1310 CB SER A 83 7.860 6.827 -12.119 1.00 0.00 C ATOM 1311 OG SER A 83 7.846 8.123 -11.545 1.00 0.00 O ATOM 0 H SER A 83 6.619 4.918 -13.125 1.00 0.00 H new ATOM 0 HA SER A 83 6.694 7.739 -13.679 1.00 0.00 H new ATOM 0 HB2 SER A 83 7.264 6.149 -11.508 1.00 0.00 H new ATOM 0 HB3 SER A 83 8.879 6.439 -12.124 1.00 0.00 H new ATOM 0 HG SER A 83 8.200 8.080 -10.632 1.00 0.00 H new ATOM 1317 N HIS A 84 9.065 8.088 -14.678 1.00 0.00 N ATOM 1318 CA HIS A 84 10.178 8.277 -15.601 1.00 0.00 C ATOM 1319 C HIS A 84 11.400 7.481 -15.151 1.00 0.00 C ATOM 1320 O HIS A 84 12.045 7.823 -14.160 1.00 0.00 O ATOM 1321 CB HIS A 84 10.533 9.761 -15.711 1.00 0.00 C ATOM 1322 CG HIS A 84 11.397 10.082 -16.891 1.00 0.00 C ATOM 1323 ND1 HIS A 84 11.101 9.604 -18.144 1.00 0.00 N ATOM 1324 CD2 HIS A 84 12.528 10.826 -16.956 1.00 0.00 C ATOM 1325 CE1 HIS A 84 12.051 10.061 -18.940 1.00 0.00 C ATOM 1326 NE2 HIS A 84 12.939 10.807 -18.265 1.00 0.00 N ATOM 0 H HIS A 84 8.801 8.925 -14.158 1.00 0.00 H new ATOM 0 HA HIS A 84 9.870 7.912 -16.581 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.613 10.343 -15.775 1.00 0.00 H new ATOM 0 HB3 HIS A 84 11.045 10.073 -14.800 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.012 11.335 -16.136 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.106 9.860 -20.000 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.761 11.271 -18.651 1.00 0.00 H new ATOM 1334 N HIS A 85 11.712 6.419 -15.889 1.00 0.00 N ATOM 1335 CA HIS A 85 12.858 5.575 -15.568 1.00 0.00 C ATOM 1336 C HIS A 85 14.159 6.239 -16.008 1.00 0.00 C ATOM 1337 O HIS A 85 14.608 6.058 -17.141 1.00 0.00 O ATOM 1338 CB HIS A 85 12.718 4.206 -16.242 1.00 0.00 C ATOM 1339 CG HIS A 85 11.366 3.584 -16.073 1.00 0.00 C ATOM 1340 ND1 HIS A 85 10.320 3.907 -16.903 1.00 0.00 N ATOM 1341 CD2 HIS A 85 10.946 2.668 -15.167 1.00 0.00 C ATOM 1342 CE1 HIS A 85 9.293 3.184 -16.490 1.00 0.00 C ATOM 1343 NE2 HIS A 85 9.624 2.419 -15.439 1.00 0.00 N ATOM 0 H HIS A 85 11.188 6.123 -16.712 1.00 0.00 H new ATOM 0 HA HIS A 85 12.885 5.438 -14.487 1.00 0.00 H new ATOM 0 HB2 HIS A 85 12.928 4.312 -17.306 1.00 0.00 H new ATOM 0 HB3 HIS A 85 13.471 3.532 -15.834 1.00 0.00 H new ATOM 0 HD1 HIS A 85 10.333 4.569 -17.679 1.00 0.00 H new ATOM 0 HD2 HIS A 85 11.538 2.220 -14.382 1.00 0.00 H new ATOM 0 HE1 HIS A 85 8.312 3.206 -16.941 1.00 0.00 H new ATOM 1351 N HIS A 86 14.759 7.012 -15.107 1.00 0.00 N ATOM 1352 CA HIS A 86 16.008 7.707 -15.403 1.00 0.00 C ATOM 1353 C HIS A 86 17.150 6.718 -15.622 1.00 0.00 C ATOM 1354 O HIS A 86 17.557 6.470 -16.757 1.00 0.00 O ATOM 1355 CB HIS A 86 16.362 8.673 -14.270 1.00 0.00 C ATOM 1356 CG HIS A 86 17.478 9.613 -14.609 1.00 0.00 C ATOM 1357 ND1 HIS A 86 18.649 9.622 -13.892 1.00 0.00 N ATOM 1358 CD2 HIS A 86 17.552 10.546 -15.590 1.00 0.00 C ATOM 1359 CE1 HIS A 86 19.406 10.553 -14.445 1.00 0.00 C ATOM 1360 NE2 HIS A 86 18.783 11.140 -15.477 1.00 0.00 N ATOM 0 H HIS A 86 14.400 7.173 -14.166 1.00 0.00 H new ATOM 0 HA HIS A 86 15.866 8.274 -16.323 1.00 0.00 H new ATOM 0 HB2 HIS A 86 15.477 9.253 -14.008 1.00 0.00 H new ATOM 0 HB3 HIS A 86 16.639 8.098 -13.387 1.00 0.00 H new ATOM 0 HD2 HIS A 86 16.789 10.777 -16.319 1.00 0.00 H new ATOM 0 HE1 HIS A 86 20.400 10.809 -14.109 1.00 0.00 H new ATOM 0 HE2 HIS A 86 19.154 11.886 -16.066 1.00 0.00 H new ATOM 1368 N HIS A 87 17.666 6.157 -14.530 1.00 0.00 N ATOM 1369 CA HIS A 87 18.763 5.199 -14.610 1.00 0.00 C ATOM 1370 C HIS A 87 18.900 4.412 -13.311 1.00 0.00 C ATOM 1371 O HIS A 87 19.347 3.265 -13.314 1.00 0.00 O ATOM 1372 CB HIS A 87 20.076 5.924 -14.918 1.00 0.00 C ATOM 1373 CG HIS A 87 20.877 5.280 -16.007 1.00 0.00 C ATOM 1374 ND1 HIS A 87 22.249 5.356 -16.025 1.00 0.00 N ATOM 1375 CD2 HIS A 87 20.459 4.570 -17.083 1.00 0.00 C ATOM 1376 CE1 HIS A 87 22.634 4.695 -17.102 1.00 0.00 C ATOM 1377 NE2 HIS A 87 21.584 4.201 -17.776 1.00 0.00 N ATOM 0 H HIS A 87 17.342 6.350 -13.582 1.00 0.00 H new ATOM 0 HA HIS A 87 18.540 4.498 -15.415 1.00 0.00 H new ATOM 0 HB2 HIS A 87 19.855 6.953 -15.201 1.00 0.00 H new ATOM 0 HB3 HIS A 87 20.679 5.966 -14.011 1.00 0.00 H new ATOM 0 HD2 HIS A 87 19.437 4.339 -17.345 1.00 0.00 H new ATOM 0 HE1 HIS A 87 23.664 4.568 -17.402 1.00 0.00 H new ATOM 0 HE2 HIS A 87 21.616 3.656 -18.638 1.00 0.00 H new ATOM 1385 N HIS A 88 18.514 5.036 -12.204 1.00 0.00 N ATOM 1386 CA HIS A 88 18.596 4.397 -10.897 1.00 0.00 C ATOM 1387 C HIS A 88 17.210 4.241 -10.279 1.00 0.00 C ATOM 1388 O HIS A 88 16.661 5.188 -9.714 1.00 0.00 O ATOM 1389 CB HIS A 88 19.495 5.212 -9.965 1.00 0.00 C ATOM 1390 CG HIS A 88 20.089 4.409 -8.849 1.00 0.00 C ATOM 1391 ND1 HIS A 88 19.332 3.524 -8.121 1.00 0.00 N ATOM 1392 CD2 HIS A 88 21.360 4.397 -8.379 1.00 0.00 C ATOM 1393 CE1 HIS A 88 20.152 2.994 -7.231 1.00 0.00 C ATOM 1394 NE2 HIS A 88 21.392 3.493 -7.348 1.00 0.00 N ATOM 0 H HIS A 88 18.141 5.985 -12.186 1.00 0.00 H new ATOM 0 HA HIS A 88 19.027 3.405 -11.031 1.00 0.00 H new ATOM 0 HB2 HIS A 88 20.300 5.658 -10.549 1.00 0.00 H new ATOM 0 HB3 HIS A 88 18.916 6.033 -9.542 1.00 0.00 H new ATOM 0 HD2 HIS A 88 22.188 4.986 -8.746 1.00 0.00 H new ATOM 0 HE1 HIS A 88 19.861 2.253 -6.501 1.00 0.00 H new ATOM 0 HE2 HIS A 88 22.203 3.247 -6.780 1.00 0.00 H new ATOM 1402 N HIS A 89 16.650 3.040 -10.392 1.00 0.00 N ATOM 1403 CA HIS A 89 15.327 2.758 -9.846 1.00 0.00 C ATOM 1404 C HIS A 89 15.436 2.061 -8.493 1.00 0.00 C ATOM 1405 O HIS A 89 15.931 0.915 -8.458 1.00 0.00 O ATOM 1406 CB HIS A 89 14.521 1.893 -10.817 1.00 0.00 C ATOM 1407 CG HIS A 89 14.944 2.038 -12.247 1.00 0.00 C ATOM 1408 ND1 HIS A 89 15.723 1.089 -12.863 1.00 0.00 N ATOM 1409 CD2 HIS A 89 14.674 3.031 -13.129 1.00 0.00 C ATOM 1410 CE1 HIS A 89 15.909 1.520 -14.097 1.00 0.00 C ATOM 1411 NE2 HIS A 89 15.293 2.694 -14.306 1.00 0.00 N ATOM 1412 OXT HIS A 89 15.030 2.669 -7.481 1.00 0.00 O ATOM 0 H HIS A 89 17.092 2.247 -10.857 1.00 0.00 H new ATOM 0 HA HIS A 89 14.810 3.707 -9.706 1.00 0.00 H new ATOM 0 HB2 HIS A 89 14.616 0.848 -10.523 1.00 0.00 H new ATOM 0 HB3 HIS A 89 13.466 2.153 -10.731 1.00 0.00 H new ATOM 0 HD1 HIS A 89 16.084 0.228 -12.452 1.00 0.00 H new ATOM 0 HD2 HIS A 89 14.085 3.917 -12.941 1.00 0.00 H new ATOM 0 HE1 HIS A 89 16.485 0.994 -14.844 1.00 0.00 H new TER 1420 HIS A 89