USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 833 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 70 MET CE :methyl -143:sc= -0.825 (180deg=-1.42) USER MOD Set 1.2: A 78 ASN : amide:sc= -0.904 X(o=-1.7,f=-1.8) USER MOD Set 2.1: A 62 LYS NZ :NH3+ -169:sc= 1.01 (180deg=0) USER MOD Set 2.2: A 94 CYS SG : rot 122:sc= -0.356 USER MOD Set 3.1: A 11 TYR OH : rot -29:sc= -0.512 USER MOD Set 3.2: A 15 HIS : no HD1:sc= -0.311 K(o=-0.82,f=-2) USER MOD Set 4.1: A 1 MET N :NH3+ 174:sc= 1.22 (180deg=0) USER MOD Set 4.2: A 44 GLN : amide:sc= 0.68 K(o=1.9,f=-4.9) USER MOD Single : A 1 MET CE :methyl -164:sc= 0 (180deg=-0.408) USER MOD Single : A 3 ASN : amide:sc= -0.05 X(o=-0.05,f=-0.37) USER MOD Single : A 9 CYS SG : rot -93:sc= -0.183 USER MOD Single : A 10 GLN : amide:sc= -0.053 K(o=-0.053,f=-2!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 177:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0171 K(o=-0.017,f=-0.95) USER MOD Single : A 29 HIS : no HD1:sc= -0.591 K(o=-0.59,f=-1.2) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -24:sc= 0.446 USER MOD Single : A 39 HIS : no HD1:sc= -0.402 X(o=-0.4,f=-0.019) USER MOD Single : A 43 GLN : amide:sc= -0.0513 K(o=-0.051,f=-1.6!) USER MOD Single : A 48 SER OG : rot 180:sc= -0.337 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.386 X(o=-0.39,f=-0.26) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.318 X(o=-0.32,f=-0.19) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -49:sc= 1.08 USER MOD Single : A 68 THR OG1 : rot -66:sc= -1.15 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.395 USER MOD Single : A 84 GLN : amide:sc= -0.416 K(o=-0.42,f=-1.7) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 80:sc= 0.289 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 167:sc= -0.127 (180deg=-0.259) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.0963 USER MOD Single : A 100 SER OG : rot 180:sc= 0.0201 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.879 1.032 -0.122 1.00 0.00 N ATOM 2 CA MET A 1 1.810 0.629 -1.170 1.00 0.00 C ATOM 3 C MET A 1 1.190 -0.438 -2.067 1.00 0.00 C ATOM 4 O MET A 1 1.231 -1.627 -1.752 1.00 0.00 O ATOM 5 CB MET A 1 3.108 0.103 -0.554 1.00 0.00 C ATOM 6 CG MET A 1 4.360 0.716 -1.159 1.00 0.00 C ATOM 7 SD MET A 1 4.879 2.218 -0.307 1.00 0.00 S ATOM 8 CE MET A 1 6.358 2.635 -1.226 1.00 0.00 C ATOM 0 H1 MET A 1 1.356 1.682 0.535 1.00 0.00 H new ATOM 0 H2 MET A 1 0.061 1.511 -0.550 1.00 0.00 H new ATOM 0 H3 MET A 1 0.555 0.191 0.397 1.00 0.00 H new ATOM 0 HA MET A 1 2.034 1.505 -1.779 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.098 0.301 0.518 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.147 -0.979 -0.678 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.169 -0.014 -1.127 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.178 0.943 -2.209 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.946 3.358 -0.661 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.950 1.735 -1.390 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.079 3.066 -2.187 1.00 0.00 H new ATOM 18 N ASP A 2 0.616 -0.004 -3.184 1.00 0.00 N ATOM 19 CA ASP A 2 -0.012 -0.923 -4.127 1.00 0.00 C ATOM 20 C ASP A 2 1.037 -1.616 -4.991 1.00 0.00 C ATOM 21 O ASP A 2 2.091 -1.050 -5.279 1.00 0.00 O ATOM 22 CB ASP A 2 -1.007 -0.174 -5.015 1.00 0.00 C ATOM 23 CG ASP A 2 -0.397 1.056 -5.659 1.00 0.00 C ATOM 24 OD1 ASP A 2 -0.068 2.010 -4.923 1.00 0.00 O ATOM 25 OD2 ASP A 2 -0.249 1.064 -6.898 1.00 0.00 O ATOM 0 H ASP A 2 0.573 0.977 -3.459 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.546 -1.682 -3.556 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.372 -0.845 -5.793 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.870 0.122 -4.419 1.00 0.00 H new ATOM 30 N ASN A 3 0.741 -2.846 -5.399 1.00 0.00 N ATOM 31 CA ASN A 3 1.659 -3.618 -6.228 1.00 0.00 C ATOM 32 C ASN A 3 2.063 -2.830 -7.471 1.00 0.00 C ATOM 33 O ASN A 3 3.145 -3.033 -8.023 1.00 0.00 O ATOM 34 CB ASN A 3 1.017 -4.944 -6.639 1.00 0.00 C ATOM 35 CG ASN A 3 -0.141 -4.753 -7.600 1.00 0.00 C ATOM 36 OD1 ASN A 3 0.055 -4.642 -8.810 1.00 0.00 O ATOM 37 ND2 ASN A 3 -1.355 -4.714 -7.063 1.00 0.00 N ATOM 0 H ASN A 3 -0.127 -3.329 -5.169 1.00 0.00 H new ATOM 0 HA ASN A 3 2.554 -3.822 -5.641 1.00 0.00 H new ATOM 0 HB2 ASN A 3 1.770 -5.580 -7.104 1.00 0.00 H new ATOM 0 HB3 ASN A 3 0.665 -5.465 -5.749 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -2.173 -4.588 -7.660 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -1.470 -4.810 -6.054 1.00 0.00 H new ATOM 44 N ARG A 4 1.187 -1.930 -7.905 1.00 0.00 N ATOM 45 CA ARG A 4 1.452 -1.112 -9.082 1.00 0.00 C ATOM 46 C ARG A 4 2.582 -0.122 -8.813 1.00 0.00 C ATOM 47 O ARG A 4 3.530 -0.020 -9.592 1.00 0.00 O ATOM 48 CB ARG A 4 0.188 -0.358 -9.501 1.00 0.00 C ATOM 49 CG ARG A 4 -0.449 -0.896 -10.771 1.00 0.00 C ATOM 50 CD ARG A 4 -1.938 -0.590 -10.821 1.00 0.00 C ATOM 51 NE ARG A 4 -2.203 0.845 -10.766 1.00 0.00 N ATOM 52 CZ ARG A 4 -3.424 1.366 -10.723 1.00 0.00 C ATOM 53 NH1 ARG A 4 -4.487 0.573 -10.728 1.00 0.00 N ATOM 54 NH2 ARG A 4 -3.585 2.682 -10.674 1.00 0.00 N ATOM 0 H ARG A 4 0.288 -1.749 -7.459 1.00 0.00 H new ATOM 0 HA ARG A 4 1.757 -1.774 -9.892 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -0.539 -0.407 -8.691 1.00 0.00 H new ATOM 0 HB3 ARG A 4 0.434 0.694 -9.645 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.043 -0.458 -11.640 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -0.296 -1.974 -10.828 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -2.362 -1.002 -11.736 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.438 -1.083 -9.987 1.00 0.00 H new ATOM 0 HE ARG A 4 -1.407 1.482 -10.760 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.368 -0.439 -10.765 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -5.424 0.975 -10.695 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -2.770 3.296 -10.669 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.524 3.080 -10.641 1.00 0.00 H new ATOM 68 N VAL A 5 2.473 0.607 -7.707 1.00 0.00 N ATOM 69 CA VAL A 5 3.485 1.588 -7.334 1.00 0.00 C ATOM 70 C VAL A 5 4.779 0.907 -6.903 1.00 0.00 C ATOM 71 O VAL A 5 5.873 1.378 -7.211 1.00 0.00 O ATOM 72 CB VAL A 5 2.992 2.498 -6.194 1.00 0.00 C ATOM 73 CG1 VAL A 5 4.125 3.372 -5.680 1.00 0.00 C ATOM 74 CG2 VAL A 5 1.820 3.349 -6.660 1.00 0.00 C ATOM 0 H VAL A 5 1.693 0.537 -7.053 1.00 0.00 H new ATOM 0 HA VAL A 5 3.676 2.197 -8.218 1.00 0.00 H new ATOM 0 HB VAL A 5 2.650 1.868 -5.373 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.757 4.008 -4.875 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.930 2.740 -5.305 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.501 3.995 -6.492 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.485 3.986 -5.841 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.133 3.971 -7.499 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.002 2.701 -6.974 1.00 0.00 H new ATOM 84 N ARG A 6 4.645 -0.206 -6.188 1.00 0.00 N ATOM 85 CA ARG A 6 5.804 -0.952 -5.714 1.00 0.00 C ATOM 86 C ARG A 6 6.732 -1.311 -6.871 1.00 0.00 C ATOM 87 O ARG A 6 7.952 -1.211 -6.755 1.00 0.00 O ATOM 88 CB ARG A 6 5.357 -2.225 -4.992 1.00 0.00 C ATOM 89 CG ARG A 6 6.359 -2.726 -3.964 1.00 0.00 C ATOM 90 CD ARG A 6 6.040 -2.200 -2.573 1.00 0.00 C ATOM 91 NE ARG A 6 6.714 -2.968 -1.530 1.00 0.00 N ATOM 92 CZ ARG A 6 6.317 -4.170 -1.128 1.00 0.00 C ATOM 93 NH1 ARG A 6 5.254 -4.739 -1.680 1.00 0.00 N ATOM 94 NH2 ARG A 6 6.983 -4.806 -0.173 1.00 0.00 N ATOM 0 H ARG A 6 3.746 -0.610 -5.925 1.00 0.00 H new ATOM 0 HA ARG A 6 6.351 -0.318 -5.016 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.405 -2.036 -4.497 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.183 -3.009 -5.729 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.355 -3.816 -3.952 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.363 -2.414 -4.251 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.339 -1.154 -2.504 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.963 -2.235 -2.410 1.00 0.00 H new ATOM 0 HE ARG A 6 7.536 -2.559 -1.085 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.740 -4.254 -2.415 1.00 0.00 H new ATOM 0 HH12 ARG A 6 4.951 -5.662 -1.370 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.801 -4.372 0.254 1.00 0.00 H new ATOM 0 HH22 ARG A 6 6.677 -5.729 0.134 1.00 0.00 H new ATOM 108 N GLU A 7 6.142 -1.729 -7.987 1.00 0.00 N ATOM 109 CA GLU A 7 6.917 -2.103 -9.165 1.00 0.00 C ATOM 110 C GLU A 7 7.697 -0.909 -9.705 1.00 0.00 C ATOM 111 O GLU A 7 8.888 -1.013 -10.000 1.00 0.00 O ATOM 112 CB GLU A 7 5.995 -2.659 -10.253 1.00 0.00 C ATOM 113 CG GLU A 7 5.961 -4.177 -10.305 1.00 0.00 C ATOM 114 CD GLU A 7 7.342 -4.787 -10.450 1.00 0.00 C ATOM 115 OE1 GLU A 7 7.977 -4.576 -11.504 1.00 0.00 O ATOM 116 OE2 GLU A 7 7.787 -5.475 -9.507 1.00 0.00 O ATOM 0 H GLU A 7 5.132 -1.817 -8.100 1.00 0.00 H new ATOM 0 HA GLU A 7 7.628 -2.875 -8.871 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.984 -2.287 -10.086 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.319 -2.278 -11.221 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.493 -4.558 -9.397 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.338 -4.494 -11.141 1.00 0.00 H new ATOM 123 N ALA A 8 7.017 0.226 -9.833 1.00 0.00 N ATOM 124 CA ALA A 8 7.646 1.441 -10.336 1.00 0.00 C ATOM 125 C ALA A 8 8.830 1.847 -9.465 1.00 0.00 C ATOM 126 O ALA A 8 9.835 2.355 -9.965 1.00 0.00 O ATOM 127 CB ALA A 8 6.630 2.571 -10.409 1.00 0.00 C ATOM 0 H ALA A 8 6.030 0.329 -9.595 1.00 0.00 H new ATOM 0 HA ALA A 8 8.019 1.238 -11.340 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.114 3.472 -10.786 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.818 2.288 -11.079 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.229 2.764 -9.414 1.00 0.00 H new ATOM 133 N CYS A 9 8.705 1.622 -8.162 1.00 0.00 N ATOM 134 CA CYS A 9 9.765 1.966 -7.221 1.00 0.00 C ATOM 135 C CYS A 9 11.054 1.226 -7.560 1.00 0.00 C ATOM 136 O CYS A 9 12.149 1.769 -7.415 1.00 0.00 O ATOM 137 CB CYS A 9 9.333 1.636 -5.791 1.00 0.00 C ATOM 138 SG CYS A 9 8.241 2.870 -5.047 1.00 0.00 S ATOM 0 H CYS A 9 7.880 1.203 -7.733 1.00 0.00 H new ATOM 0 HA CYS A 9 9.952 3.037 -7.298 1.00 0.00 H new ATOM 0 HB2 CYS A 9 8.827 0.671 -5.789 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.222 1.531 -5.169 1.00 0.00 H new ATOM 0 HG CYS A 9 8.951 3.734 -4.385 1.00 0.00 H new ATOM 144 N GLN A 10 10.916 -0.018 -8.009 1.00 0.00 N ATOM 145 CA GLN A 10 12.071 -0.833 -8.366 1.00 0.00 C ATOM 146 C GLN A 10 12.812 -0.236 -9.558 1.00 0.00 C ATOM 147 O GLN A 10 14.040 -0.283 -9.624 1.00 0.00 O ATOM 148 CB GLN A 10 11.632 -2.263 -8.687 1.00 0.00 C ATOM 149 CG GLN A 10 11.204 -3.057 -7.463 1.00 0.00 C ATOM 150 CD GLN A 10 12.370 -3.736 -6.771 1.00 0.00 C ATOM 151 OE1 GLN A 10 13.493 -3.735 -7.276 1.00 0.00 O ATOM 152 NE2 GLN A 10 12.110 -4.319 -5.607 1.00 0.00 N ATOM 0 H GLN A 10 10.017 -0.483 -8.134 1.00 0.00 H new ATOM 0 HA GLN A 10 12.749 -0.851 -7.513 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.805 -2.230 -9.396 1.00 0.00 H new ATOM 0 HB3 GLN A 10 12.453 -2.784 -9.179 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.706 -2.391 -6.758 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.474 -3.810 -7.760 1.00 0.00 H new ATOM 0 HE21 GLN A 10 11.165 -4.296 -5.225 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.856 -4.790 -5.095 1.00 0.00 H new ATOM 161 N TYR A 11 12.057 0.324 -10.496 1.00 0.00 N ATOM 162 CA TYR A 11 12.643 0.928 -11.688 1.00 0.00 C ATOM 163 C TYR A 11 13.433 2.183 -11.330 1.00 0.00 C ATOM 164 O TYR A 11 14.520 2.416 -11.859 1.00 0.00 O ATOM 165 CB TYR A 11 11.549 1.272 -12.700 1.00 0.00 C ATOM 166 CG TYR A 11 12.028 2.150 -13.834 1.00 0.00 C ATOM 167 CD1 TYR A 11 12.711 1.609 -14.917 1.00 0.00 C ATOM 168 CD2 TYR A 11 11.797 3.520 -13.823 1.00 0.00 C ATOM 169 CE1 TYR A 11 13.151 2.407 -15.955 1.00 0.00 C ATOM 170 CE2 TYR A 11 12.233 4.326 -14.857 1.00 0.00 C ATOM 171 CZ TYR A 11 12.909 3.765 -15.921 1.00 0.00 C ATOM 172 OH TYR A 11 13.345 4.563 -16.953 1.00 0.00 O ATOM 0 H TYR A 11 11.039 0.373 -10.455 1.00 0.00 H new ATOM 0 HA TYR A 11 13.327 0.205 -12.133 1.00 0.00 H new ATOM 0 HB2 TYR A 11 11.144 0.348 -13.113 1.00 0.00 H new ATOM 0 HB3 TYR A 11 10.732 1.775 -12.182 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.901 0.546 -14.947 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.268 3.962 -12.992 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.681 1.971 -16.788 1.00 0.00 H new ATOM 0 HE2 TYR A 11 12.046 5.389 -14.833 1.00 0.00 H new ATOM 0 HH TYR A 11 14.148 4.169 -17.355 1.00 0.00 H new ATOM 182 N ILE A 12 12.879 2.986 -10.428 1.00 0.00 N ATOM 183 CA ILE A 12 13.532 4.216 -9.998 1.00 0.00 C ATOM 184 C ILE A 12 14.879 3.924 -9.347 1.00 0.00 C ATOM 185 O ILE A 12 15.837 4.680 -9.513 1.00 0.00 O ATOM 186 CB ILE A 12 12.654 5.002 -9.006 1.00 0.00 C ATOM 187 CG1 ILE A 12 11.303 5.337 -9.640 1.00 0.00 C ATOM 188 CG2 ILE A 12 13.365 6.271 -8.560 1.00 0.00 C ATOM 189 CD1 ILE A 12 10.282 5.854 -8.651 1.00 0.00 C ATOM 0 H ILE A 12 11.980 2.807 -9.981 1.00 0.00 H new ATOM 0 HA ILE A 12 13.687 4.821 -10.892 1.00 0.00 H new ATOM 0 HB ILE A 12 12.477 4.380 -8.129 1.00 0.00 H new ATOM 0 HG12 ILE A 12 11.452 6.084 -10.420 1.00 0.00 H new ATOM 0 HG13 ILE A 12 10.907 4.445 -10.125 1.00 0.00 H new ATOM 0 HG21 ILE A 12 12.732 6.816 -7.859 1.00 0.00 H new ATOM 0 HG22 ILE A 12 14.304 6.010 -8.073 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.569 6.898 -9.428 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.349 6.071 -9.171 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.104 5.100 -7.884 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.657 6.765 -8.184 1.00 0.00 H new ATOM 201 N SER A 13 14.947 2.823 -8.607 1.00 0.00 N ATOM 202 CA SER A 13 16.177 2.431 -7.929 1.00 0.00 C ATOM 203 C SER A 13 17.320 2.270 -8.927 1.00 0.00 C ATOM 204 O SER A 13 18.475 2.563 -8.617 1.00 0.00 O ATOM 205 CB SER A 13 15.967 1.125 -7.160 1.00 0.00 C ATOM 206 OG SER A 13 17.207 0.528 -6.822 1.00 0.00 O ATOM 0 H SER A 13 14.164 2.186 -8.461 1.00 0.00 H new ATOM 0 HA SER A 13 16.442 3.220 -7.225 1.00 0.00 H new ATOM 0 HB2 SER A 13 15.395 1.321 -6.253 1.00 0.00 H new ATOM 0 HB3 SER A 13 15.380 0.434 -7.764 1.00 0.00 H new ATOM 0 HG SER A 13 17.046 -0.304 -6.330 1.00 0.00 H new ATOM 212 N ASP A 14 16.988 1.801 -10.125 1.00 0.00 N ATOM 213 CA ASP A 14 17.985 1.602 -11.170 1.00 0.00 C ATOM 214 C ASP A 14 18.550 2.937 -11.645 1.00 0.00 C ATOM 215 O ASP A 14 19.727 3.037 -11.991 1.00 0.00 O ATOM 216 CB ASP A 14 17.374 0.844 -12.349 1.00 0.00 C ATOM 217 CG ASP A 14 18.417 0.399 -13.355 1.00 0.00 C ATOM 218 OD1 ASP A 14 19.097 1.274 -13.932 1.00 0.00 O ATOM 219 OD2 ASP A 14 18.555 -0.824 -13.565 1.00 0.00 O ATOM 0 H ASP A 14 16.037 1.552 -10.396 1.00 0.00 H new ATOM 0 HA ASP A 14 18.801 1.012 -10.752 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.837 -0.028 -11.977 1.00 0.00 H new ATOM 0 HB3 ASP A 14 16.642 1.481 -12.846 1.00 0.00 H new ATOM 224 N HIS A 15 17.701 3.960 -11.660 1.00 0.00 N ATOM 225 CA HIS A 15 18.115 5.290 -12.094 1.00 0.00 C ATOM 226 C HIS A 15 18.549 6.139 -10.903 1.00 0.00 C ATOM 227 O HIS A 15 18.619 7.366 -10.994 1.00 0.00 O ATOM 228 CB HIS A 15 16.976 5.983 -12.842 1.00 0.00 C ATOM 229 CG HIS A 15 16.643 5.341 -14.153 1.00 0.00 C ATOM 230 ND1 HIS A 15 16.761 5.994 -15.362 1.00 0.00 N ATOM 231 CD2 HIS A 15 16.194 4.097 -14.441 1.00 0.00 C ATOM 232 CE1 HIS A 15 16.398 5.179 -16.337 1.00 0.00 C ATOM 233 NE2 HIS A 15 16.050 4.022 -15.805 1.00 0.00 N ATOM 0 H HIS A 15 16.723 3.894 -11.377 1.00 0.00 H new ATOM 0 HA HIS A 15 18.965 5.178 -12.767 1.00 0.00 H new ATOM 0 HB2 HIS A 15 16.087 5.985 -12.212 1.00 0.00 H new ATOM 0 HB3 HIS A 15 17.247 7.025 -13.015 1.00 0.00 H new ATOM 0 HD2 HIS A 15 15.987 3.310 -13.731 1.00 0.00 H new ATOM 0 HE1 HIS A 15 16.388 5.419 -17.390 1.00 0.00 H new ATOM 0 HE2 HIS A 15 15.727 3.205 -16.323 1.00 0.00 H new ATOM 241 N LEU A 16 18.838 5.480 -9.786 1.00 0.00 N ATOM 242 CA LEU A 16 19.264 6.175 -8.576 1.00 0.00 C ATOM 243 C LEU A 16 20.555 6.950 -8.820 1.00 0.00 C ATOM 244 O LEU A 16 20.784 7.998 -8.215 1.00 0.00 O ATOM 245 CB LEU A 16 19.463 5.176 -7.435 1.00 0.00 C ATOM 246 CG LEU A 16 19.634 5.777 -6.039 1.00 0.00 C ATOM 247 CD1 LEU A 16 18.286 5.910 -5.347 1.00 0.00 C ATOM 248 CD2 LEU A 16 20.583 4.928 -5.205 1.00 0.00 C ATOM 0 H LEU A 16 18.785 4.466 -9.693 1.00 0.00 H new ATOM 0 HA LEU A 16 18.484 6.884 -8.299 1.00 0.00 H new ATOM 0 HB2 LEU A 16 18.607 4.501 -7.416 1.00 0.00 H new ATOM 0 HB3 LEU A 16 20.341 4.570 -7.658 1.00 0.00 H new ATOM 0 HG LEU A 16 20.066 6.772 -6.143 1.00 0.00 H new ATOM 0 HD11 LEU A 16 18.427 6.339 -4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.638 6.560 -5.935 1.00 0.00 H new ATOM 0 HD13 LEU A 16 17.826 4.926 -5.255 1.00 0.00 H new ATOM 0 HD21 LEU A 16 20.693 5.371 -4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 16 20.180 3.920 -5.109 1.00 0.00 H new ATOM 0 HD23 LEU A 16 21.557 4.885 -5.693 1.00 0.00 H new ATOM 260 N ALA A 17 21.393 6.430 -9.710 1.00 0.00 N ATOM 261 CA ALA A 17 22.658 7.076 -10.036 1.00 0.00 C ATOM 262 C ALA A 17 22.514 7.982 -11.255 1.00 0.00 C ATOM 263 O ALA A 17 23.320 8.889 -11.465 1.00 0.00 O ATOM 264 CB ALA A 17 23.737 6.031 -10.278 1.00 0.00 C ATOM 0 H ALA A 17 21.219 5.563 -10.218 1.00 0.00 H new ATOM 0 HA ALA A 17 22.950 7.695 -9.188 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.677 6.528 -10.521 1.00 0.00 H new ATOM 0 HB2 ALA A 17 23.867 5.427 -9.380 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.442 5.388 -11.107 1.00 0.00 H new ATOM 270 N ASP A 18 21.484 7.730 -12.055 1.00 0.00 N ATOM 271 CA ASP A 18 21.234 8.523 -13.252 1.00 0.00 C ATOM 272 C ASP A 18 20.926 9.973 -12.889 1.00 0.00 C ATOM 273 O ASP A 18 20.294 10.247 -11.869 1.00 0.00 O ATOM 274 CB ASP A 18 20.074 7.928 -14.052 1.00 0.00 C ATOM 275 CG ASP A 18 20.178 8.228 -15.534 1.00 0.00 C ATOM 276 OD1 ASP A 18 20.859 9.211 -15.894 1.00 0.00 O ATOM 277 OD2 ASP A 18 19.580 7.479 -16.334 1.00 0.00 O ATOM 0 H ASP A 18 20.809 6.982 -11.896 1.00 0.00 H new ATOM 0 HA ASP A 18 22.135 8.504 -13.865 1.00 0.00 H new ATOM 0 HB2 ASP A 18 20.050 6.848 -13.904 1.00 0.00 H new ATOM 0 HB3 ASP A 18 19.133 8.323 -13.670 1.00 0.00 H new ATOM 282 N SER A 19 21.378 10.897 -13.731 1.00 0.00 N ATOM 283 CA SER A 19 21.156 12.319 -13.496 1.00 0.00 C ATOM 284 C SER A 19 19.810 12.759 -14.064 1.00 0.00 C ATOM 285 O SER A 19 19.006 13.382 -13.373 1.00 0.00 O ATOM 286 CB SER A 19 22.281 13.143 -14.124 1.00 0.00 C ATOM 287 OG SER A 19 23.438 13.133 -13.306 1.00 0.00 O ATOM 0 H SER A 19 21.900 10.686 -14.582 1.00 0.00 H new ATOM 0 HA SER A 19 21.150 12.488 -12.419 1.00 0.00 H new ATOM 0 HB2 SER A 19 22.524 12.742 -15.108 1.00 0.00 H new ATOM 0 HB3 SER A 19 21.945 14.169 -14.272 1.00 0.00 H new ATOM 0 HG SER A 19 24.143 13.665 -13.730 1.00 0.00 H new ATOM 293 N ASN A 20 19.573 12.429 -15.330 1.00 0.00 N ATOM 294 CA ASN A 20 18.325 12.791 -15.993 1.00 0.00 C ATOM 295 C ASN A 20 17.254 11.731 -15.752 1.00 0.00 C ATOM 296 O ASN A 20 17.246 10.683 -16.398 1.00 0.00 O ATOM 297 CB ASN A 20 18.554 12.968 -17.495 1.00 0.00 C ATOM 298 CG ASN A 20 19.416 14.175 -17.810 1.00 0.00 C ATOM 299 OD1 ASN A 20 18.931 15.306 -17.845 1.00 0.00 O ATOM 300 ND2 ASN A 20 20.702 13.939 -18.042 1.00 0.00 N ATOM 0 H ASN A 20 20.228 11.912 -15.917 1.00 0.00 H new ATOM 0 HA ASN A 20 17.979 13.735 -15.571 1.00 0.00 H new ATOM 0 HB2 ASN A 20 19.028 12.072 -17.896 1.00 0.00 H new ATOM 0 HB3 ASN A 20 17.592 13.071 -17.997 1.00 0.00 H new ATOM 0 HD21 ASN A 20 21.331 14.712 -18.260 1.00 0.00 H new ATOM 0 HD22 ASN A 20 21.061 12.985 -18.002 1.00 0.00 H new ATOM 307 N PHE A 21 16.352 12.011 -14.817 1.00 0.00 N ATOM 308 CA PHE A 21 15.276 11.082 -14.490 1.00 0.00 C ATOM 309 C PHE A 21 14.063 11.318 -15.384 1.00 0.00 C ATOM 310 O PHE A 21 13.670 12.460 -15.626 1.00 0.00 O ATOM 311 CB PHE A 21 14.877 11.228 -13.020 1.00 0.00 C ATOM 312 CG PHE A 21 13.614 10.497 -12.667 1.00 0.00 C ATOM 313 CD1 PHE A 21 13.554 9.114 -12.739 1.00 0.00 C ATOM 314 CD2 PHE A 21 12.486 11.192 -12.262 1.00 0.00 C ATOM 315 CE1 PHE A 21 12.392 8.440 -12.415 1.00 0.00 C ATOM 316 CE2 PHE A 21 11.321 10.523 -11.936 1.00 0.00 C ATOM 317 CZ PHE A 21 11.275 9.145 -12.012 1.00 0.00 C ATOM 0 H PHE A 21 16.345 12.873 -14.272 1.00 0.00 H new ATOM 0 HA PHE A 21 15.640 10.069 -14.662 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.689 10.859 -12.393 1.00 0.00 H new ATOM 0 HB3 PHE A 21 14.752 12.286 -12.789 1.00 0.00 H new ATOM 0 HD1 PHE A 21 14.425 8.557 -13.052 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.517 12.270 -12.200 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.357 7.362 -12.477 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.449 11.077 -11.622 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.367 8.619 -11.757 1.00 0.00 H new ATOM 327 N ASP A 22 13.474 10.232 -15.872 1.00 0.00 N ATOM 328 CA ASP A 22 12.305 10.320 -16.739 1.00 0.00 C ATOM 329 C ASP A 22 11.088 9.681 -16.076 1.00 0.00 C ATOM 330 O ASP A 22 10.890 8.468 -16.157 1.00 0.00 O ATOM 331 CB ASP A 22 12.586 9.640 -18.080 1.00 0.00 C ATOM 332 CG ASP A 22 12.096 10.460 -19.258 1.00 0.00 C ATOM 333 OD1 ASP A 22 10.890 10.781 -19.296 1.00 0.00 O ATOM 334 OD2 ASP A 22 12.918 10.779 -20.142 1.00 0.00 O ATOM 0 H ASP A 22 13.787 9.280 -15.682 1.00 0.00 H new ATOM 0 HA ASP A 22 12.090 11.374 -16.913 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.658 9.470 -18.180 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.105 8.662 -18.096 1.00 0.00 H new ATOM 339 N ILE A 23 10.277 10.505 -15.421 1.00 0.00 N ATOM 340 CA ILE A 23 9.080 10.020 -14.745 1.00 0.00 C ATOM 341 C ILE A 23 8.160 9.286 -15.714 1.00 0.00 C ATOM 342 O ILE A 23 7.353 8.451 -15.308 1.00 0.00 O ATOM 343 CB ILE A 23 8.299 11.173 -14.087 1.00 0.00 C ATOM 344 CG1 ILE A 23 7.213 10.620 -13.162 1.00 0.00 C ATOM 345 CG2 ILE A 23 7.689 12.074 -15.150 1.00 0.00 C ATOM 346 CD1 ILE A 23 7.760 9.843 -11.985 1.00 0.00 C ATOM 0 H ILE A 23 10.427 11.511 -15.344 1.00 0.00 H new ATOM 0 HA ILE A 23 9.413 9.329 -13.971 1.00 0.00 H new ATOM 0 HB ILE A 23 8.991 11.766 -13.489 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.607 11.447 -12.791 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.551 9.973 -13.738 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.140 12.884 -14.669 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.481 12.491 -15.772 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.008 11.493 -15.772 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.934 9.481 -11.373 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.342 8.995 -12.347 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.399 10.492 -11.386 1.00 0.00 H new ATOM 358 N ALA A 24 8.289 9.603 -16.998 1.00 0.00 N ATOM 359 CA ALA A 24 7.472 8.971 -18.027 1.00 0.00 C ATOM 360 C ALA A 24 7.700 7.464 -18.060 1.00 0.00 C ATOM 361 O ALA A 24 6.751 6.684 -18.138 1.00 0.00 O ATOM 362 CB ALA A 24 7.771 9.582 -19.388 1.00 0.00 C ATOM 0 H ALA A 24 8.952 10.294 -17.351 1.00 0.00 H new ATOM 0 HA ALA A 24 6.424 9.148 -17.784 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.154 9.100 -20.147 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.550 10.649 -19.364 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.824 9.435 -19.630 1.00 0.00 H new ATOM 368 N SER A 25 8.966 7.060 -18.001 1.00 0.00 N ATOM 369 CA SER A 25 9.319 5.645 -18.029 1.00 0.00 C ATOM 370 C SER A 25 8.767 4.923 -16.804 1.00 0.00 C ATOM 371 O SER A 25 8.467 3.730 -16.854 1.00 0.00 O ATOM 372 CB SER A 25 10.838 5.479 -18.093 1.00 0.00 C ATOM 373 OG SER A 25 11.381 6.164 -19.208 1.00 0.00 O ATOM 0 H SER A 25 9.763 7.692 -17.934 1.00 0.00 H new ATOM 0 HA SER A 25 8.874 5.202 -18.920 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.287 5.859 -17.175 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.089 4.420 -18.156 1.00 0.00 H new ATOM 0 HG SER A 25 12.358 6.088 -19.194 1.00 0.00 H new ATOM 379 N VAL A 26 8.636 5.656 -15.702 1.00 0.00 N ATOM 380 CA VAL A 26 8.119 5.087 -14.463 1.00 0.00 C ATOM 381 C VAL A 26 6.660 4.672 -14.615 1.00 0.00 C ATOM 382 O VAL A 26 6.282 3.556 -14.262 1.00 0.00 O ATOM 383 CB VAL A 26 8.239 6.084 -13.295 1.00 0.00 C ATOM 384 CG1 VAL A 26 7.678 5.480 -12.017 1.00 0.00 C ATOM 385 CG2 VAL A 26 9.687 6.508 -13.103 1.00 0.00 C ATOM 0 H VAL A 26 8.881 6.644 -15.642 1.00 0.00 H new ATOM 0 HA VAL A 26 8.723 4.206 -14.243 1.00 0.00 H new ATOM 0 HB VAL A 26 7.654 6.971 -13.536 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.772 6.199 -11.203 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.627 5.232 -12.163 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.233 4.576 -11.768 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.753 7.212 -12.274 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.297 5.631 -12.884 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.050 6.984 -14.014 1.00 0.00 H new ATOM 395 N ALA A 27 5.845 5.579 -15.144 1.00 0.00 N ATOM 396 CA ALA A 27 4.427 5.306 -15.345 1.00 0.00 C ATOM 397 C ALA A 27 4.220 4.244 -16.420 1.00 0.00 C ATOM 398 O ALA A 27 3.381 3.356 -16.273 1.00 0.00 O ATOM 399 CB ALA A 27 3.691 6.585 -15.715 1.00 0.00 C ATOM 0 H ALA A 27 6.142 6.508 -15.441 1.00 0.00 H new ATOM 0 HA ALA A 27 4.019 4.923 -14.409 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.633 6.367 -15.862 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.803 7.314 -14.913 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.109 6.992 -16.636 1.00 0.00 H new ATOM 405 N GLN A 28 4.988 4.344 -17.500 1.00 0.00 N ATOM 406 CA GLN A 28 4.886 3.392 -18.600 1.00 0.00 C ATOM 407 C GLN A 28 5.234 1.982 -18.133 1.00 0.00 C ATOM 408 O GLN A 28 4.628 1.005 -18.574 1.00 0.00 O ATOM 409 CB GLN A 28 5.811 3.805 -19.747 1.00 0.00 C ATOM 410 CG GLN A 28 5.780 2.848 -20.927 1.00 0.00 C ATOM 411 CD GLN A 28 4.448 2.856 -21.650 1.00 0.00 C ATOM 412 OE1 GLN A 28 3.700 3.832 -21.589 1.00 0.00 O ATOM 413 NE2 GLN A 28 4.143 1.764 -22.342 1.00 0.00 N ATOM 0 H GLN A 28 5.687 5.074 -17.637 1.00 0.00 H new ATOM 0 HA GLN A 28 3.855 3.394 -18.955 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.529 4.801 -20.090 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.832 3.874 -19.372 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.571 3.115 -21.628 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.993 1.838 -20.576 1.00 0.00 H new ATOM 0 HE21 GLN A 28 4.792 0.978 -22.366 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.260 1.712 -22.850 1.00 0.00 H new ATOM 422 N HIS A 29 6.213 1.884 -17.240 1.00 0.00 N ATOM 423 CA HIS A 29 6.641 0.593 -16.714 1.00 0.00 C ATOM 424 C HIS A 29 5.476 -0.137 -16.053 1.00 0.00 C ATOM 425 O HIS A 29 5.383 -1.363 -16.115 1.00 0.00 O ATOM 426 CB HIS A 29 7.778 0.780 -15.708 1.00 0.00 C ATOM 427 CG HIS A 29 8.102 -0.460 -14.933 1.00 0.00 C ATOM 428 ND1 HIS A 29 8.075 -1.722 -15.487 1.00 0.00 N ATOM 429 CD2 HIS A 29 8.462 -0.626 -13.639 1.00 0.00 C ATOM 430 CE1 HIS A 29 8.403 -2.611 -14.566 1.00 0.00 C ATOM 431 NE2 HIS A 29 8.644 -1.972 -13.436 1.00 0.00 N ATOM 0 H HIS A 29 6.725 2.683 -16.865 1.00 0.00 H new ATOM 0 HA HIS A 29 6.999 -0.011 -17.548 1.00 0.00 H new ATOM 0 HB2 HIS A 29 8.671 1.111 -16.239 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.509 1.574 -15.011 1.00 0.00 H new ATOM 0 HD2 HIS A 29 8.584 0.155 -12.903 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.464 -3.679 -14.713 1.00 0.00 H new ATOM 0 HE2 HIS A 29 8.920 -2.407 -12.556 1.00 0.00 H new ATOM 439 N VAL A 30 4.590 0.624 -15.419 1.00 0.00 N ATOM 440 CA VAL A 30 3.431 0.049 -14.746 1.00 0.00 C ATOM 441 C VAL A 30 2.191 0.122 -15.630 1.00 0.00 C ATOM 442 O VAL A 30 1.064 0.020 -15.145 1.00 0.00 O ATOM 443 CB VAL A 30 3.142 0.767 -13.415 1.00 0.00 C ATOM 444 CG1 VAL A 30 4.297 0.577 -12.443 1.00 0.00 C ATOM 445 CG2 VAL A 30 2.873 2.245 -13.654 1.00 0.00 C ATOM 0 H VAL A 30 4.652 1.640 -15.357 1.00 0.00 H new ATOM 0 HA VAL A 30 3.668 -0.995 -14.543 1.00 0.00 H new ATOM 0 HB VAL A 30 2.249 0.326 -12.971 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.074 1.092 -11.508 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.437 -0.486 -12.248 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.208 0.989 -12.876 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.671 2.737 -12.702 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.745 2.703 -14.121 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.010 2.356 -14.310 1.00 0.00 H new ATOM 455 N CYS A 31 2.407 0.298 -16.929 1.00 0.00 N ATOM 456 CA CYS A 31 1.306 0.385 -17.882 1.00 0.00 C ATOM 457 C CYS A 31 0.277 1.416 -17.431 1.00 0.00 C ATOM 458 O CYS A 31 -0.927 1.228 -17.613 1.00 0.00 O ATOM 459 CB CYS A 31 0.638 -0.981 -18.047 1.00 0.00 C ATOM 460 SG CYS A 31 1.778 -2.311 -18.497 1.00 0.00 S ATOM 0 H CYS A 31 3.334 0.383 -17.346 1.00 0.00 H new ATOM 0 HA CYS A 31 1.713 0.701 -18.842 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.139 -1.245 -17.114 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.135 -0.905 -18.812 1.00 0.00 H new ATOM 0 HG CYS A 31 1.120 -3.426 -18.611 1.00 0.00 H new ATOM 466 N LEU A 32 0.757 2.505 -16.842 1.00 0.00 N ATOM 467 CA LEU A 32 -0.121 3.567 -16.363 1.00 0.00 C ATOM 468 C LEU A 32 0.435 4.940 -16.729 1.00 0.00 C ATOM 469 O LEU A 32 1.607 5.072 -17.079 1.00 0.00 O ATOM 470 CB LEU A 32 -0.299 3.464 -14.847 1.00 0.00 C ATOM 471 CG LEU A 32 -1.450 4.274 -14.250 1.00 0.00 C ATOM 472 CD1 LEU A 32 -2.769 3.889 -14.903 1.00 0.00 C ATOM 473 CD2 LEU A 32 -1.520 4.071 -12.744 1.00 0.00 C ATOM 0 H LEU A 32 1.750 2.676 -16.684 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.091 3.448 -16.845 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.447 2.415 -14.589 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.628 3.782 -14.370 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.265 5.330 -14.446 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.577 4.476 -14.465 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.716 4.086 -15.974 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.961 2.829 -14.738 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.345 4.655 -12.336 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.680 3.015 -12.526 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.585 4.397 -12.289 1.00 0.00 H new ATOM 485 N SER A 33 -0.414 5.959 -16.642 1.00 0.00 N ATOM 486 CA SER A 33 -0.008 7.321 -16.965 1.00 0.00 C ATOM 487 C SER A 33 0.791 7.936 -15.820 1.00 0.00 C ATOM 488 O SER A 33 0.719 7.496 -14.673 1.00 0.00 O ATOM 489 CB SER A 33 -1.236 8.184 -17.266 1.00 0.00 C ATOM 490 OG SER A 33 -1.602 8.091 -18.632 1.00 0.00 O ATOM 0 H SER A 33 -1.387 5.867 -16.351 1.00 0.00 H new ATOM 0 HA SER A 33 0.628 7.284 -17.850 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.070 7.866 -16.640 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.025 9.223 -17.013 1.00 0.00 H new ATOM 0 HG SER A 33 -2.390 8.650 -18.798 1.00 0.00 H new ATOM 496 N PRO A 34 1.571 8.979 -16.138 1.00 0.00 N ATOM 497 CA PRO A 34 2.399 9.678 -15.151 1.00 0.00 C ATOM 498 C PRO A 34 1.565 10.480 -14.158 1.00 0.00 C ATOM 499 O PRO A 34 1.873 10.526 -12.967 1.00 0.00 O ATOM 500 CB PRO A 34 3.258 10.614 -16.006 1.00 0.00 C ATOM 501 CG PRO A 34 2.458 10.837 -17.243 1.00 0.00 C ATOM 502 CD PRO A 34 1.706 9.557 -17.486 1.00 0.00 C ATOM 0 HA PRO A 34 2.978 8.984 -14.541 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.457 11.552 -15.488 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.225 10.166 -16.235 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.772 11.675 -17.118 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.104 11.077 -18.088 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.734 9.743 -17.943 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.251 8.892 -18.156 1.00 0.00 H new ATOM 510 N SER A 35 0.506 11.111 -14.656 1.00 0.00 N ATOM 511 CA SER A 35 -0.372 11.914 -13.812 1.00 0.00 C ATOM 512 C SER A 35 -1.132 11.034 -12.825 1.00 0.00 C ATOM 513 O SER A 35 -1.208 11.339 -11.635 1.00 0.00 O ATOM 514 CB SER A 35 -1.359 12.704 -14.673 1.00 0.00 C ATOM 515 OG SER A 35 -0.692 13.700 -15.431 1.00 0.00 O ATOM 0 H SER A 35 0.235 11.082 -15.639 1.00 0.00 H new ATOM 0 HA SER A 35 0.247 12.612 -13.247 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.886 12.025 -15.343 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.110 13.170 -14.036 1.00 0.00 H new ATOM 0 HG SER A 35 -1.345 14.190 -15.974 1.00 0.00 H new ATOM 521 N ARG A 36 -1.692 9.939 -13.329 1.00 0.00 N ATOM 522 CA ARG A 36 -2.448 9.014 -12.493 1.00 0.00 C ATOM 523 C ARG A 36 -1.527 8.288 -11.516 1.00 0.00 C ATOM 524 O ARG A 36 -1.872 8.092 -10.350 1.00 0.00 O ATOM 525 CB ARG A 36 -3.190 7.998 -13.362 1.00 0.00 C ATOM 526 CG ARG A 36 -4.445 8.555 -14.014 1.00 0.00 C ATOM 527 CD ARG A 36 -5.580 8.694 -13.011 1.00 0.00 C ATOM 528 NE ARG A 36 -6.819 9.137 -13.643 1.00 0.00 N ATOM 529 CZ ARG A 36 -8.017 9.003 -13.086 1.00 0.00 C ATOM 530 NH1 ARG A 36 -8.137 8.442 -11.890 1.00 0.00 N ATOM 531 NH2 ARG A 36 -9.099 9.431 -13.724 1.00 0.00 N ATOM 0 H ARG A 36 -1.636 9.671 -14.312 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.174 9.591 -11.921 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.517 7.637 -14.139 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.460 7.138 -12.750 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.226 9.528 -14.454 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.755 7.899 -14.827 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.747 7.736 -12.518 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.294 9.406 -12.236 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.761 9.573 -14.563 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.308 8.112 -11.396 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.058 8.340 -11.464 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.011 9.864 -14.644 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.019 9.327 -13.295 1.00 0.00 H new ATOM 545 N LEU A 37 -0.356 7.890 -12.000 1.00 0.00 N ATOM 546 CA LEU A 37 0.615 7.184 -11.171 1.00 0.00 C ATOM 547 C LEU A 37 1.197 8.110 -10.107 1.00 0.00 C ATOM 548 O LEU A 37 1.324 7.731 -8.943 1.00 0.00 O ATOM 549 CB LEU A 37 1.739 6.616 -12.038 1.00 0.00 C ATOM 550 CG LEU A 37 2.901 5.963 -11.289 1.00 0.00 C ATOM 551 CD1 LEU A 37 2.591 4.504 -10.990 1.00 0.00 C ATOM 552 CD2 LEU A 37 4.188 6.084 -12.091 1.00 0.00 C ATOM 0 H LEU A 37 -0.056 8.044 -12.962 1.00 0.00 H new ATOM 0 HA LEU A 37 0.100 6.363 -10.671 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.310 5.878 -12.716 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.138 7.422 -12.654 1.00 0.00 H new ATOM 0 HG LEU A 37 3.037 6.485 -10.342 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.429 4.056 -10.457 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.694 4.441 -10.374 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.427 3.968 -11.925 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.004 5.614 -11.542 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.065 5.588 -13.054 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.419 7.137 -12.252 1.00 0.00 H new ATOM 564 N SER A 38 1.546 9.326 -10.515 1.00 0.00 N ATOM 565 CA SER A 38 2.116 10.306 -9.597 1.00 0.00 C ATOM 566 C SER A 38 1.147 10.611 -8.459 1.00 0.00 C ATOM 567 O SER A 38 1.551 10.749 -7.304 1.00 0.00 O ATOM 568 CB SER A 38 2.465 11.594 -10.345 1.00 0.00 C ATOM 569 OG SER A 38 1.308 12.180 -10.917 1.00 0.00 O ATOM 0 H SER A 38 1.444 9.656 -11.475 1.00 0.00 H new ATOM 0 HA SER A 38 3.027 9.884 -9.172 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.934 12.301 -9.660 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.192 11.378 -11.128 1.00 0.00 H new ATOM 0 HG SER A 38 0.625 11.491 -11.051 1.00 0.00 H new ATOM 575 N HIS A 39 -0.135 10.716 -8.794 1.00 0.00 N ATOM 576 CA HIS A 39 -1.163 11.006 -7.800 1.00 0.00 C ATOM 577 C HIS A 39 -1.190 9.931 -6.718 1.00 0.00 C ATOM 578 O HIS A 39 -1.196 10.237 -5.525 1.00 0.00 O ATOM 579 CB HIS A 39 -2.535 11.107 -8.469 1.00 0.00 C ATOM 580 CG HIS A 39 -3.636 11.475 -7.524 1.00 0.00 C ATOM 581 ND1 HIS A 39 -4.214 12.727 -7.493 1.00 0.00 N ATOM 582 CD2 HIS A 39 -4.268 10.747 -6.573 1.00 0.00 C ATOM 583 CE1 HIS A 39 -5.152 12.754 -6.563 1.00 0.00 C ATOM 584 NE2 HIS A 39 -5.205 11.565 -5.990 1.00 0.00 N ATOM 0 H HIS A 39 -0.487 10.605 -9.745 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.923 11.961 -7.333 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -2.488 11.849 -9.266 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.773 10.152 -8.937 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.072 9.716 -6.320 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.770 13.604 -6.314 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -5.839 11.298 -5.237 1.00 0.00 H new ATOM 592 N LEU A 40 -1.209 8.672 -7.141 1.00 0.00 N ATOM 593 CA LEU A 40 -1.236 7.551 -6.208 1.00 0.00 C ATOM 594 C LEU A 40 0.109 7.395 -5.505 1.00 0.00 C ATOM 595 O LEU A 40 0.173 6.964 -4.354 1.00 0.00 O ATOM 596 CB LEU A 40 -1.594 6.258 -6.943 1.00 0.00 C ATOM 597 CG LEU A 40 -2.933 6.254 -7.680 1.00 0.00 C ATOM 598 CD1 LEU A 40 -3.199 4.889 -8.296 1.00 0.00 C ATOM 599 CD2 LEU A 40 -4.062 6.643 -6.736 1.00 0.00 C ATOM 0 H LEU A 40 -1.206 8.402 -8.125 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.997 7.755 -5.455 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.805 6.043 -7.663 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.597 5.442 -6.220 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.886 6.990 -8.483 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.157 4.905 -8.817 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.405 4.648 -9.003 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.226 4.134 -7.510 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.008 6.635 -7.277 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.109 5.931 -5.912 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.878 7.642 -6.341 1.00 0.00 H new ATOM 611 N PHE A 41 1.181 7.750 -6.205 1.00 0.00 N ATOM 612 CA PHE A 41 2.525 7.650 -5.648 1.00 0.00 C ATOM 613 C PHE A 41 2.653 8.493 -4.382 1.00 0.00 C ATOM 614 O PHE A 41 3.114 8.011 -3.347 1.00 0.00 O ATOM 615 CB PHE A 41 3.562 8.099 -6.679 1.00 0.00 C ATOM 616 CG PHE A 41 4.773 7.212 -6.737 1.00 0.00 C ATOM 617 CD1 PHE A 41 5.856 7.441 -5.904 1.00 0.00 C ATOM 618 CD2 PHE A 41 4.827 6.148 -7.623 1.00 0.00 C ATOM 619 CE1 PHE A 41 6.972 6.627 -5.956 1.00 0.00 C ATOM 620 CE2 PHE A 41 5.940 5.330 -7.679 1.00 0.00 C ATOM 621 CZ PHE A 41 7.013 5.569 -6.843 1.00 0.00 C ATOM 0 H PHE A 41 1.145 8.109 -7.159 1.00 0.00 H new ATOM 0 HA PHE A 41 2.707 6.607 -5.390 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.095 8.128 -7.663 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.877 9.116 -6.446 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.828 8.265 -5.206 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.990 5.956 -8.277 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.811 6.818 -5.304 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.970 4.505 -8.376 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.883 4.930 -6.883 1.00 0.00 H new ATOM 631 N ARG A 42 2.242 9.753 -4.474 1.00 0.00 N ATOM 632 CA ARG A 42 2.312 10.664 -3.337 1.00 0.00 C ATOM 633 C ARG A 42 1.322 10.254 -2.250 1.00 0.00 C ATOM 634 O ARG A 42 1.517 10.558 -1.074 1.00 0.00 O ATOM 635 CB ARG A 42 2.026 12.098 -3.787 1.00 0.00 C ATOM 636 CG ARG A 42 2.094 13.115 -2.660 1.00 0.00 C ATOM 637 CD ARG A 42 0.706 13.564 -2.230 1.00 0.00 C ATOM 638 NE ARG A 42 0.689 14.963 -1.811 1.00 0.00 N ATOM 639 CZ ARG A 42 -0.425 15.640 -1.556 1.00 0.00 C ATOM 640 NH1 ARG A 42 -1.606 15.050 -1.678 1.00 0.00 N ATOM 641 NH2 ARG A 42 -0.359 16.910 -1.179 1.00 0.00 N ATOM 0 H ARG A 42 1.857 10.167 -5.323 1.00 0.00 H new ATOM 0 HA ARG A 42 3.320 10.614 -2.925 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.742 12.377 -4.560 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.036 12.137 -4.241 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.617 12.681 -1.808 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.673 13.980 -2.983 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.008 13.424 -3.055 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.360 12.936 -1.410 1.00 0.00 H new ATOM 0 HE ARG A 42 1.581 15.447 -1.709 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.661 14.074 -1.968 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.460 15.572 -1.481 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.548 17.368 -1.085 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.215 17.429 -0.983 1.00 0.00 H new ATOM 655 N GLN A 43 0.261 9.563 -2.654 1.00 0.00 N ATOM 656 CA GLN A 43 -0.759 9.113 -1.714 1.00 0.00 C ATOM 657 C GLN A 43 -0.288 7.882 -0.947 1.00 0.00 C ATOM 658 O GLN A 43 -0.514 7.766 0.257 1.00 0.00 O ATOM 659 CB GLN A 43 -2.061 8.800 -2.453 1.00 0.00 C ATOM 660 CG GLN A 43 -2.913 10.028 -2.731 1.00 0.00 C ATOM 661 CD GLN A 43 -3.893 10.323 -1.613 1.00 0.00 C ATOM 662 OE1 GLN A 43 -3.881 9.666 -0.571 1.00 0.00 O ATOM 663 NE2 GLN A 43 -4.750 11.316 -1.823 1.00 0.00 N ATOM 0 H GLN A 43 0.085 9.303 -3.624 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.938 9.917 -1.000 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.824 8.311 -3.398 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.642 8.091 -1.864 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.263 10.891 -2.877 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -3.462 9.882 -3.661 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.725 11.834 -2.701 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -5.433 11.560 -1.106 1.00 0.00 H new ATOM 672 N GLN A 44 0.368 6.966 -1.652 1.00 0.00 N ATOM 673 CA GLN A 44 0.870 5.743 -1.037 1.00 0.00 C ATOM 674 C GLN A 44 2.198 5.995 -0.330 1.00 0.00 C ATOM 675 O GLN A 44 2.447 5.464 0.753 1.00 0.00 O ATOM 676 CB GLN A 44 1.041 4.649 -2.092 1.00 0.00 C ATOM 677 CG GLN A 44 -0.231 4.351 -2.870 1.00 0.00 C ATOM 678 CD GLN A 44 -1.058 3.250 -2.237 1.00 0.00 C ATOM 679 OE1 GLN A 44 -0.876 2.915 -1.067 1.00 0.00 O ATOM 680 NE2 GLN A 44 -1.975 2.680 -3.010 1.00 0.00 N ATOM 0 H GLN A 44 0.564 7.048 -2.650 1.00 0.00 H new ATOM 0 HA GLN A 44 0.141 5.413 -0.297 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.823 4.948 -2.790 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.381 3.735 -1.604 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.832 5.258 -2.938 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.030 4.064 -3.889 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.092 2.989 -3.975 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.562 1.933 -2.639 1.00 0.00 H new ATOM 689 N LEU A 45 3.047 6.809 -0.948 1.00 0.00 N ATOM 690 CA LEU A 45 4.350 7.131 -0.378 1.00 0.00 C ATOM 691 C LEU A 45 4.255 8.340 0.548 1.00 0.00 C ATOM 692 O LEU A 45 5.148 8.586 1.358 1.00 0.00 O ATOM 693 CB LEU A 45 5.362 7.406 -1.492 1.00 0.00 C ATOM 694 CG LEU A 45 6.681 6.638 -1.404 1.00 0.00 C ATOM 695 CD1 LEU A 45 7.346 6.560 -2.769 1.00 0.00 C ATOM 696 CD2 LEU A 45 7.612 7.290 -0.392 1.00 0.00 C ATOM 0 H LEU A 45 2.856 7.258 -1.844 1.00 0.00 H new ATOM 0 HA LEU A 45 4.686 6.274 0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.892 7.174 -2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.585 8.473 -1.498 1.00 0.00 H new ATOM 0 HG LEU A 45 6.466 5.623 -1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.283 6.010 -2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.685 6.047 -3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.548 7.567 -3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.546 6.730 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.820 8.316 -0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.138 7.292 0.590 1.00 0.00 H new ATOM 708 N GLY A 46 3.165 9.091 0.422 1.00 0.00 N ATOM 709 CA GLY A 46 2.973 10.264 1.255 1.00 0.00 C ATOM 710 C GLY A 46 3.965 11.367 0.942 1.00 0.00 C ATOM 711 O GLY A 46 4.036 12.368 1.655 1.00 0.00 O ATOM 0 H GLY A 46 2.412 8.908 -0.241 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.960 10.641 1.118 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.068 9.981 2.303 1.00 0.00 H new ATOM 715 N ILE A 47 4.734 11.183 -0.126 1.00 0.00 N ATOM 716 CA ILE A 47 5.727 12.170 -0.531 1.00 0.00 C ATOM 717 C ILE A 47 5.930 12.158 -2.042 1.00 0.00 C ATOM 718 O ILE A 47 5.388 11.304 -2.745 1.00 0.00 O ATOM 719 CB ILE A 47 7.081 11.922 0.159 1.00 0.00 C ATOM 720 CG1 ILE A 47 7.704 10.618 -0.344 1.00 0.00 C ATOM 721 CG2 ILE A 47 6.906 11.884 1.670 1.00 0.00 C ATOM 722 CD1 ILE A 47 9.043 10.305 0.287 1.00 0.00 C ATOM 0 H ILE A 47 4.688 10.360 -0.726 1.00 0.00 H new ATOM 0 HA ILE A 47 5.346 13.144 -0.226 1.00 0.00 H new ATOM 0 HB ILE A 47 7.754 12.743 -0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.017 9.796 -0.145 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.826 10.677 -1.426 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.872 11.708 2.144 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.502 12.836 2.013 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.219 11.081 1.937 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.425 9.367 -0.116 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.746 11.108 0.066 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.924 10.214 1.367 1.00 0.00 H new ATOM 734 N SER A 48 6.715 13.110 -2.536 1.00 0.00 N ATOM 735 CA SER A 48 6.988 13.210 -3.965 1.00 0.00 C ATOM 736 C SER A 48 8.017 12.169 -4.396 1.00 0.00 C ATOM 737 O SER A 48 8.917 11.816 -3.633 1.00 0.00 O ATOM 738 CB SER A 48 7.489 14.613 -4.313 1.00 0.00 C ATOM 739 OG SER A 48 8.380 15.096 -3.322 1.00 0.00 O ATOM 0 H SER A 48 7.173 13.823 -1.968 1.00 0.00 H new ATOM 0 HA SER A 48 6.058 13.020 -4.501 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.991 14.594 -5.280 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.642 15.292 -4.407 1.00 0.00 H new ATOM 0 HG SER A 48 8.688 15.993 -3.568 1.00 0.00 H new ATOM 745 N VAL A 49 7.877 11.681 -5.624 1.00 0.00 N ATOM 746 CA VAL A 49 8.794 10.681 -6.158 1.00 0.00 C ATOM 747 C VAL A 49 10.241 11.149 -6.050 1.00 0.00 C ATOM 748 O VAL A 49 11.124 10.384 -5.658 1.00 0.00 O ATOM 749 CB VAL A 49 8.479 10.361 -7.632 1.00 0.00 C ATOM 750 CG1 VAL A 49 9.342 9.209 -8.125 1.00 0.00 C ATOM 751 CG2 VAL A 49 7.001 10.042 -7.803 1.00 0.00 C ATOM 0 H VAL A 49 7.137 11.962 -6.268 1.00 0.00 H new ATOM 0 HA VAL A 49 8.661 9.779 -5.561 1.00 0.00 H new ATOM 0 HB VAL A 49 8.710 11.240 -8.234 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.105 8.997 -9.168 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.394 9.480 -8.039 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.145 8.323 -7.521 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.796 9.818 -8.850 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.742 9.179 -7.190 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.405 10.900 -7.492 1.00 0.00 H new ATOM 761 N LEU A 50 10.477 12.408 -6.398 1.00 0.00 N ATOM 762 CA LEU A 50 11.818 12.980 -6.339 1.00 0.00 C ATOM 763 C LEU A 50 12.348 12.979 -4.909 1.00 0.00 C ATOM 764 O LEU A 50 13.545 12.805 -4.680 1.00 0.00 O ATOM 765 CB LEU A 50 11.811 14.406 -6.892 1.00 0.00 C ATOM 766 CG LEU A 50 11.153 14.592 -8.260 1.00 0.00 C ATOM 767 CD1 LEU A 50 10.331 15.871 -8.286 1.00 0.00 C ATOM 768 CD2 LEU A 50 12.205 14.609 -9.360 1.00 0.00 C ATOM 0 H LEU A 50 9.758 13.053 -6.724 1.00 0.00 H new ATOM 0 HA LEU A 50 12.476 12.363 -6.951 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.301 15.050 -6.175 1.00 0.00 H new ATOM 0 HB3 LEU A 50 12.842 14.754 -6.956 1.00 0.00 H new ATOM 0 HG LEU A 50 10.484 13.750 -8.438 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.870 15.987 -9.267 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.554 15.820 -7.524 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.979 16.724 -8.086 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.719 14.742 -10.326 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.899 15.431 -9.187 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.751 13.666 -9.356 1.00 0.00 H new ATOM 780 N SER A 51 11.448 13.174 -3.950 1.00 0.00 N ATOM 781 CA SER A 51 11.825 13.197 -2.542 1.00 0.00 C ATOM 782 C SER A 51 12.158 11.794 -2.045 1.00 0.00 C ATOM 783 O SER A 51 13.141 11.593 -1.331 1.00 0.00 O ATOM 784 CB SER A 51 10.696 13.794 -1.700 1.00 0.00 C ATOM 785 OG SER A 51 11.101 13.969 -0.353 1.00 0.00 O ATOM 0 H SER A 51 10.453 13.318 -4.123 1.00 0.00 H new ATOM 0 HA SER A 51 12.714 13.820 -2.440 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.394 14.754 -2.120 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.825 13.140 -1.739 1.00 0.00 H new ATOM 0 HG SER A 51 10.362 14.353 0.163 1.00 0.00 H new ATOM 791 N TRP A 52 11.333 10.826 -2.428 1.00 0.00 N ATOM 792 CA TRP A 52 11.539 9.441 -2.021 1.00 0.00 C ATOM 793 C TRP A 52 12.903 8.936 -2.480 1.00 0.00 C ATOM 794 O TRP A 52 13.590 8.225 -1.747 1.00 0.00 O ATOM 795 CB TRP A 52 10.434 8.551 -2.592 1.00 0.00 C ATOM 796 CG TRP A 52 10.671 7.089 -2.364 1.00 0.00 C ATOM 797 CD1 TRP A 52 10.661 6.434 -1.166 1.00 0.00 C ATOM 798 CD2 TRP A 52 10.956 6.101 -3.361 1.00 0.00 C ATOM 799 NE1 TRP A 52 10.923 5.098 -1.358 1.00 0.00 N ATOM 800 CE2 TRP A 52 11.107 4.869 -2.696 1.00 0.00 C ATOM 801 CE3 TRP A 52 11.097 6.138 -4.751 1.00 0.00 C ATOM 802 CZ2 TRP A 52 11.392 3.687 -3.374 1.00 0.00 C ATOM 803 CZ3 TRP A 52 11.380 4.964 -5.423 1.00 0.00 C ATOM 804 CH2 TRP A 52 11.524 3.752 -4.735 1.00 0.00 C ATOM 0 H TRP A 52 10.515 10.975 -3.020 1.00 0.00 H new ATOM 0 HA TRP A 52 11.504 9.399 -0.932 1.00 0.00 H new ATOM 0 HB2 TRP A 52 9.482 8.832 -2.141 1.00 0.00 H new ATOM 0 HB3 TRP A 52 10.346 8.735 -3.663 1.00 0.00 H new ATOM 0 HD1 TRP A 52 10.475 6.897 -0.208 1.00 0.00 H new ATOM 0 HE1 TRP A 52 10.972 4.392 -0.623 1.00 0.00 H new ATOM 0 HE3 TRP A 52 10.987 7.067 -5.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 11.505 2.752 -2.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 11.492 4.981 -6.497 1.00 0.00 H new ATOM 0 HH2 TRP A 52 11.743 2.851 -5.289 1.00 0.00 H new ATOM 815 N ARG A 53 13.289 9.309 -3.696 1.00 0.00 N ATOM 816 CA ARG A 53 14.571 8.892 -4.251 1.00 0.00 C ATOM 817 C ARG A 53 15.726 9.403 -3.395 1.00 0.00 C ATOM 818 O ARG A 53 16.646 8.655 -3.068 1.00 0.00 O ATOM 819 CB ARG A 53 14.719 9.404 -5.685 1.00 0.00 C ATOM 820 CG ARG A 53 15.447 8.436 -6.604 1.00 0.00 C ATOM 821 CD ARG A 53 15.732 9.063 -7.960 1.00 0.00 C ATOM 822 NE ARG A 53 14.516 9.556 -8.602 1.00 0.00 N ATOM 823 CZ ARG A 53 14.069 10.801 -8.473 1.00 0.00 C ATOM 824 NH1 ARG A 53 14.736 11.674 -7.730 1.00 0.00 N ATOM 825 NH2 ARG A 53 12.954 11.174 -9.088 1.00 0.00 N ATOM 0 H ARG A 53 12.733 9.899 -4.315 1.00 0.00 H new ATOM 0 HA ARG A 53 14.600 7.802 -4.256 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.729 9.606 -6.094 1.00 0.00 H new ATOM 0 HB3 ARG A 53 15.257 10.352 -5.670 1.00 0.00 H new ATOM 0 HG2 ARG A 53 16.384 8.127 -6.140 1.00 0.00 H new ATOM 0 HG3 ARG A 53 14.846 7.537 -6.737 1.00 0.00 H new ATOM 0 HD2 ARG A 53 16.437 9.886 -7.838 1.00 0.00 H new ATOM 0 HD3 ARG A 53 16.210 8.327 -8.606 1.00 0.00 H new ATOM 0 HE ARG A 53 13.981 8.909 -9.181 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.594 11.390 -7.256 1.00 0.00 H new ATOM 0 HH12 ARG A 53 14.391 12.629 -7.632 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.439 10.505 -9.660 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.612 12.130 -8.988 1.00 0.00 H new ATOM 839 N GLU A 54 15.670 10.682 -3.037 1.00 0.00 N ATOM 840 CA GLU A 54 16.713 11.293 -2.221 1.00 0.00 C ATOM 841 C GLU A 54 16.736 10.682 -0.822 1.00 0.00 C ATOM 842 O GLU A 54 17.798 10.349 -0.296 1.00 0.00 O ATOM 843 CB GLU A 54 16.497 12.805 -2.125 1.00 0.00 C ATOM 844 CG GLU A 54 17.560 13.521 -1.309 1.00 0.00 C ATOM 845 CD GLU A 54 17.260 14.996 -1.127 1.00 0.00 C ATOM 846 OE1 GLU A 54 16.066 15.356 -1.062 1.00 0.00 O ATOM 847 OE2 GLU A 54 18.221 15.790 -1.049 1.00 0.00 O ATOM 0 H GLU A 54 14.914 11.315 -3.299 1.00 0.00 H new ATOM 0 HA GLU A 54 17.673 11.100 -2.700 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.478 13.225 -3.130 1.00 0.00 H new ATOM 0 HB3 GLU A 54 15.520 12.997 -1.681 1.00 0.00 H new ATOM 0 HG2 GLU A 54 17.642 13.047 -0.331 1.00 0.00 H new ATOM 0 HG3 GLU A 54 18.527 13.408 -1.800 1.00 0.00 H new ATOM 854 N ASP A 55 15.557 10.538 -0.227 1.00 0.00 N ATOM 855 CA ASP A 55 15.441 9.968 1.110 1.00 0.00 C ATOM 856 C ASP A 55 15.955 8.531 1.135 1.00 0.00 C ATOM 857 O ASP A 55 16.613 8.114 2.087 1.00 0.00 O ATOM 858 CB ASP A 55 13.986 10.010 1.581 1.00 0.00 C ATOM 859 CG ASP A 55 13.688 11.230 2.430 1.00 0.00 C ATOM 860 OD1 ASP A 55 14.425 12.232 2.310 1.00 0.00 O ATOM 861 OD2 ASP A 55 12.718 11.184 3.214 1.00 0.00 O ATOM 0 H ASP A 55 14.669 10.808 -0.649 1.00 0.00 H new ATOM 0 HA ASP A 55 16.052 10.565 1.787 1.00 0.00 H new ATOM 0 HB2 ASP A 55 13.326 10.004 0.714 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.766 9.109 2.154 1.00 0.00 H new ATOM 866 N GLN A 56 15.648 7.781 0.082 1.00 0.00 N ATOM 867 CA GLN A 56 16.078 6.391 -0.016 1.00 0.00 C ATOM 868 C GLN A 56 17.591 6.299 -0.186 1.00 0.00 C ATOM 869 O GLN A 56 18.228 5.377 0.323 1.00 0.00 O ATOM 870 CB GLN A 56 15.378 5.700 -1.188 1.00 0.00 C ATOM 871 CG GLN A 56 14.018 5.122 -0.830 1.00 0.00 C ATOM 872 CD GLN A 56 14.102 4.057 0.245 1.00 0.00 C ATOM 873 OE1 GLN A 56 13.387 4.111 1.246 1.00 0.00 O ATOM 874 NE2 GLN A 56 14.978 3.079 0.044 1.00 0.00 N ATOM 0 H GLN A 56 15.104 8.112 -0.715 1.00 0.00 H new ATOM 0 HA GLN A 56 15.804 5.886 0.911 1.00 0.00 H new ATOM 0 HB2 GLN A 56 15.257 6.416 -2.001 1.00 0.00 H new ATOM 0 HB3 GLN A 56 16.017 4.899 -1.561 1.00 0.00 H new ATOM 0 HG2 GLN A 56 13.364 5.925 -0.490 1.00 0.00 H new ATOM 0 HG3 GLN A 56 13.562 4.696 -1.724 1.00 0.00 H new ATOM 0 HE21 GLN A 56 15.551 3.073 -0.800 1.00 0.00 H new ATOM 0 HE22 GLN A 56 15.078 2.334 0.734 1.00 0.00 H new ATOM 883 N ARG A 57 18.159 7.261 -0.906 1.00 0.00 N ATOM 884 CA ARG A 57 19.597 7.288 -1.144 1.00 0.00 C ATOM 885 C ARG A 57 20.366 7.341 0.173 1.00 0.00 C ATOM 886 O ARG A 57 21.347 6.620 0.359 1.00 0.00 O ATOM 887 CB ARG A 57 19.969 8.491 -2.013 1.00 0.00 C ATOM 888 CG ARG A 57 19.728 8.269 -3.497 1.00 0.00 C ATOM 889 CD ARG A 57 19.781 9.576 -4.272 1.00 0.00 C ATOM 890 NE ARG A 57 19.365 9.406 -5.661 1.00 0.00 N ATOM 891 CZ ARG A 57 19.353 10.392 -6.551 1.00 0.00 C ATOM 892 NH1 ARG A 57 19.733 11.613 -6.198 1.00 0.00 N ATOM 893 NH2 ARG A 57 18.962 10.159 -7.797 1.00 0.00 N ATOM 0 H ARG A 57 17.646 8.031 -1.334 1.00 0.00 H new ATOM 0 HA ARG A 57 19.870 6.372 -1.667 1.00 0.00 H new ATOM 0 HB2 ARG A 57 19.393 9.357 -1.686 1.00 0.00 H new ATOM 0 HB3 ARG A 57 21.021 8.730 -1.856 1.00 0.00 H new ATOM 0 HG2 ARG A 57 20.477 7.582 -3.889 1.00 0.00 H new ATOM 0 HG3 ARG A 57 18.756 7.798 -3.642 1.00 0.00 H new ATOM 0 HD2 ARG A 57 19.137 10.311 -3.788 1.00 0.00 H new ATOM 0 HD3 ARG A 57 20.796 9.973 -4.244 1.00 0.00 H new ATOM 0 HE ARG A 57 19.067 8.479 -5.965 1.00 0.00 H new ATOM 0 HH11 ARG A 57 20.035 11.796 -5.241 1.00 0.00 H new ATOM 0 HH12 ARG A 57 19.723 12.368 -6.883 1.00 0.00 H new ATOM 0 HH21 ARG A 57 18.670 9.221 -8.073 1.00 0.00 H new ATOM 0 HH22 ARG A 57 18.953 10.917 -8.479 1.00 0.00 H new ATOM 907 N ILE A 58 19.914 8.198 1.082 1.00 0.00 N ATOM 908 CA ILE A 58 20.559 8.344 2.381 1.00 0.00 C ATOM 909 C ILE A 58 20.454 7.058 3.194 1.00 0.00 C ATOM 910 O ILE A 58 21.403 6.660 3.870 1.00 0.00 O ATOM 911 CB ILE A 58 19.941 9.500 3.189 1.00 0.00 C ATOM 912 CG1 ILE A 58 19.895 10.775 2.343 1.00 0.00 C ATOM 913 CG2 ILE A 58 20.733 9.735 4.467 1.00 0.00 C ATOM 914 CD1 ILE A 58 21.252 11.218 1.843 1.00 0.00 C ATOM 0 H ILE A 58 19.104 8.802 0.943 1.00 0.00 H new ATOM 0 HA ILE A 58 21.609 8.566 2.189 1.00 0.00 H new ATOM 0 HB ILE A 58 18.921 9.229 3.461 1.00 0.00 H new ATOM 0 HG12 ILE A 58 19.238 10.611 1.489 1.00 0.00 H new ATOM 0 HG13 ILE A 58 19.455 11.578 2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 58 20.284 10.555 5.028 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.720 8.830 5.075 1.00 0.00 H new ATOM 0 HG23 ILE A 58 21.763 9.988 4.215 1.00 0.00 H new ATOM 0 HD11 ILE A 58 21.143 12.127 1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 58 21.906 11.414 2.692 1.00 0.00 H new ATOM 0 HD13 ILE A 58 21.686 10.432 1.224 1.00 0.00 H new ATOM 926 N SER A 59 19.296 6.411 3.121 1.00 0.00 N ATOM 927 CA SER A 59 19.066 5.170 3.851 1.00 0.00 C ATOM 928 C SER A 59 20.111 4.121 3.482 1.00 0.00 C ATOM 929 O SER A 59 20.637 3.422 4.348 1.00 0.00 O ATOM 930 CB SER A 59 17.663 4.633 3.560 1.00 0.00 C ATOM 931 OG SER A 59 17.398 3.463 4.314 1.00 0.00 O ATOM 0 H SER A 59 18.502 6.726 2.564 1.00 0.00 H new ATOM 0 HA SER A 59 19.151 5.384 4.916 1.00 0.00 H new ATOM 0 HB2 SER A 59 16.922 5.397 3.796 1.00 0.00 H new ATOM 0 HB3 SER A 59 17.568 4.413 2.497 1.00 0.00 H new ATOM 0 HG SER A 59 16.495 3.141 4.111 1.00 0.00 H new ATOM 937 N GLN A 60 20.405 4.017 2.190 1.00 0.00 N ATOM 938 CA GLN A 60 21.386 3.053 1.706 1.00 0.00 C ATOM 939 C GLN A 60 22.799 3.467 2.104 1.00 0.00 C ATOM 940 O GLN A 60 23.629 2.626 2.448 1.00 0.00 O ATOM 941 CB GLN A 60 21.291 2.918 0.185 1.00 0.00 C ATOM 942 CG GLN A 60 22.039 1.714 -0.366 1.00 0.00 C ATOM 943 CD GLN A 60 21.504 0.400 0.167 1.00 0.00 C ATOM 944 OE1 GLN A 60 20.542 -0.154 -0.367 1.00 0.00 O ATOM 945 NE2 GLN A 60 22.125 -0.107 1.225 1.00 0.00 N ATOM 0 H GLN A 60 19.978 4.588 1.460 1.00 0.00 H new ATOM 0 HA GLN A 60 21.167 2.089 2.164 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.242 2.845 -0.100 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.685 3.823 -0.277 1.00 0.00 H new ATOM 0 HG2 GLN A 60 21.970 1.715 -1.454 1.00 0.00 H new ATOM 0 HG3 GLN A 60 23.096 1.801 -0.113 1.00 0.00 H new ATOM 0 HE21 GLN A 60 22.918 0.386 1.635 1.00 0.00 H new ATOM 0 HE22 GLN A 60 21.809 -0.989 1.627 1.00 0.00 H new ATOM 954 N ALA A 61 23.065 4.768 2.054 1.00 0.00 N ATOM 955 CA ALA A 61 24.377 5.294 2.411 1.00 0.00 C ATOM 956 C ALA A 61 24.741 4.932 3.847 1.00 0.00 C ATOM 957 O ALA A 61 25.856 4.489 4.124 1.00 0.00 O ATOM 958 CB ALA A 61 24.411 6.803 2.220 1.00 0.00 C ATOM 0 H ALA A 61 22.389 5.477 1.770 1.00 0.00 H new ATOM 0 HA ALA A 61 25.115 4.839 1.751 1.00 0.00 H new ATOM 0 HB1 ALA A 61 25.397 7.182 2.490 1.00 0.00 H new ATOM 0 HB2 ALA A 61 24.204 7.042 1.177 1.00 0.00 H new ATOM 0 HB3 ALA A 61 23.657 7.267 2.856 1.00 0.00 H new ATOM 964 N LYS A 62 23.794 5.124 4.759 1.00 0.00 N ATOM 965 CA LYS A 62 24.014 4.818 6.168 1.00 0.00 C ATOM 966 C LYS A 62 24.073 3.311 6.394 1.00 0.00 C ATOM 967 O LYS A 62 24.802 2.832 7.264 1.00 0.00 O ATOM 968 CB LYS A 62 22.902 5.430 7.023 1.00 0.00 C ATOM 969 CG LYS A 62 21.521 4.883 6.707 1.00 0.00 C ATOM 970 CD LYS A 62 20.476 5.414 7.674 1.00 0.00 C ATOM 971 CE LYS A 62 20.227 6.900 7.465 1.00 0.00 C ATOM 972 NZ LYS A 62 18.935 7.335 8.065 1.00 0.00 N ATOM 0 H LYS A 62 22.866 5.490 4.547 1.00 0.00 H new ATOM 0 HA LYS A 62 24.970 5.250 6.463 1.00 0.00 H new ATOM 0 HB2 LYS A 62 23.123 5.250 8.075 1.00 0.00 H new ATOM 0 HB3 LYS A 62 22.897 6.510 6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 62 21.246 5.154 5.688 1.00 0.00 H new ATOM 0 HG3 LYS A 62 21.541 3.794 6.753 1.00 0.00 H new ATOM 0 HD2 LYS A 62 19.544 4.866 7.541 1.00 0.00 H new ATOM 0 HD3 LYS A 62 20.805 5.240 8.698 1.00 0.00 H new ATOM 0 HE2 LYS A 62 21.043 7.471 7.907 1.00 0.00 H new ATOM 0 HE3 LYS A 62 20.225 7.121 6.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.711 8.299 7.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 18.178 6.687 7.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 19.012 7.323 9.102 1.00 0.00 H new ATOM 986 N LEU A 63 23.304 2.568 5.606 1.00 0.00 N ATOM 987 CA LEU A 63 23.271 1.114 5.719 1.00 0.00 C ATOM 988 C LEU A 63 24.599 0.504 5.285 1.00 0.00 C ATOM 989 O LEU A 63 25.182 -0.315 5.998 1.00 0.00 O ATOM 990 CB LEU A 63 22.132 0.543 4.873 1.00 0.00 C ATOM 991 CG LEU A 63 21.554 -0.793 5.340 1.00 0.00 C ATOM 992 CD1 LEU A 63 22.614 -1.882 5.288 1.00 0.00 C ATOM 993 CD2 LEU A 63 20.986 -0.666 6.746 1.00 0.00 C ATOM 0 H LEU A 63 22.695 2.948 4.882 1.00 0.00 H new ATOM 0 HA LEU A 63 23.101 0.859 6.765 1.00 0.00 H new ATOM 0 HB2 LEU A 63 21.325 1.275 4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 63 22.490 0.424 3.850 1.00 0.00 H new ATOM 0 HG LEU A 63 20.744 -1.071 4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 63 22.183 -2.825 5.624 1.00 0.00 H new ATOM 0 HD12 LEU A 63 22.973 -1.991 4.265 1.00 0.00 H new ATOM 0 HD13 LEU A 63 23.446 -1.611 5.938 1.00 0.00 H new ATOM 0 HD21 LEU A 63 20.579 -1.626 7.062 1.00 0.00 H new ATOM 0 HD22 LEU A 63 21.777 -0.364 7.432 1.00 0.00 H new ATOM 0 HD23 LEU A 63 20.194 0.083 6.752 1.00 0.00 H new ATOM 1005 N LEU A 64 25.075 0.908 4.112 1.00 0.00 N ATOM 1006 CA LEU A 64 26.336 0.402 3.582 1.00 0.00 C ATOM 1007 C LEU A 64 27.517 0.931 4.390 1.00 0.00 C ATOM 1008 O LEU A 64 28.493 0.217 4.625 1.00 0.00 O ATOM 1009 CB LEU A 64 26.491 0.799 2.113 1.00 0.00 C ATOM 1010 CG LEU A 64 26.876 2.255 1.847 1.00 0.00 C ATOM 1011 CD1 LEU A 64 28.389 2.407 1.805 1.00 0.00 C ATOM 1012 CD2 LEU A 64 26.252 2.743 0.548 1.00 0.00 C ATOM 0 H LEU A 64 24.606 1.585 3.510 1.00 0.00 H new ATOM 0 HA LEU A 64 26.324 -0.685 3.659 1.00 0.00 H new ATOM 0 HB2 LEU A 64 27.247 0.156 1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 64 25.551 0.594 1.601 1.00 0.00 H new ATOM 0 HG LEU A 64 26.492 2.868 2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 64 28.645 3.449 1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 64 28.812 2.098 2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 64 28.795 1.783 1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 64 26.537 3.781 0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 64 26.605 2.127 -0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 64 25.167 2.671 0.616 1.00 0.00 H new ATOM 1024 N LEU A 65 27.421 2.186 4.815 1.00 0.00 N ATOM 1025 CA LEU A 65 28.481 2.811 5.600 1.00 0.00 C ATOM 1026 C LEU A 65 28.782 1.998 6.854 1.00 0.00 C ATOM 1027 O LEU A 65 29.906 2.002 7.354 1.00 0.00 O ATOM 1028 CB LEU A 65 28.083 4.237 5.986 1.00 0.00 C ATOM 1029 CG LEU A 65 28.484 5.336 5.001 1.00 0.00 C ATOM 1030 CD1 LEU A 65 27.753 6.631 5.320 1.00 0.00 C ATOM 1031 CD2 LEU A 65 29.990 5.551 5.027 1.00 0.00 C ATOM 0 H LEU A 65 26.621 2.791 4.630 1.00 0.00 H new ATOM 0 HA LEU A 65 29.382 2.845 4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 65 27.001 4.269 6.114 1.00 0.00 H new ATOM 0 HB3 LEU A 65 28.526 4.467 6.955 1.00 0.00 H new ATOM 0 HG LEU A 65 28.199 5.020 3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 65 28.051 7.402 4.609 1.00 0.00 H new ATOM 0 HD12 LEU A 65 26.677 6.469 5.250 1.00 0.00 H new ATOM 0 HD13 LEU A 65 28.006 6.952 6.330 1.00 0.00 H new ATOM 0 HD21 LEU A 65 30.258 6.336 4.320 1.00 0.00 H new ATOM 0 HD22 LEU A 65 30.298 5.845 6.030 1.00 0.00 H new ATOM 0 HD23 LEU A 65 30.494 4.626 4.749 1.00 0.00 H new ATOM 1043 N SER A 66 27.769 1.298 7.357 1.00 0.00 N ATOM 1044 CA SER A 66 27.925 0.480 8.554 1.00 0.00 C ATOM 1045 C SER A 66 28.730 -0.780 8.250 1.00 0.00 C ATOM 1046 O SER A 66 29.461 -1.285 9.103 1.00 0.00 O ATOM 1047 CB SER A 66 26.555 0.100 9.119 1.00 0.00 C ATOM 1048 OG SER A 66 26.046 1.124 9.955 1.00 0.00 O ATOM 0 H SER A 66 26.832 1.281 6.954 1.00 0.00 H new ATOM 0 HA SER A 66 28.467 1.066 9.297 1.00 0.00 H new ATOM 0 HB2 SER A 66 25.859 -0.085 8.301 1.00 0.00 H new ATOM 0 HB3 SER A 66 26.636 -0.828 9.684 1.00 0.00 H new ATOM 0 HG SER A 66 25.169 0.857 10.302 1.00 0.00 H new ATOM 1054 N THR A 67 28.591 -1.283 7.028 1.00 0.00 N ATOM 1055 CA THR A 67 29.303 -2.484 6.610 1.00 0.00 C ATOM 1056 C THR A 67 30.514 -2.135 5.752 1.00 0.00 C ATOM 1057 O THR A 67 31.172 -3.017 5.199 1.00 0.00 O ATOM 1058 CB THR A 67 28.385 -3.435 5.819 1.00 0.00 C ATOM 1059 OG1 THR A 67 29.116 -4.598 5.414 1.00 0.00 O ATOM 1060 CG2 THR A 67 27.811 -2.739 4.595 1.00 0.00 C ATOM 0 H THR A 67 27.991 -0.877 6.310 1.00 0.00 H new ATOM 0 HA THR A 67 29.637 -2.985 7.518 1.00 0.00 H new ATOM 0 HB THR A 67 27.561 -3.732 6.468 1.00 0.00 H new ATOM 0 HG1 THR A 67 29.962 -4.325 5.002 1.00 0.00 H new ATOM 0 HG21 THR A 67 27.166 -3.430 4.052 1.00 0.00 H new ATOM 0 HG22 THR A 67 27.231 -1.871 4.909 1.00 0.00 H new ATOM 0 HG23 THR A 67 28.624 -2.416 3.945 1.00 0.00 H new ATOM 1068 N THR A 68 30.805 -0.842 5.645 1.00 0.00 N ATOM 1069 CA THR A 68 31.937 -0.376 4.855 1.00 0.00 C ATOM 1070 C THR A 68 32.758 0.652 5.623 1.00 0.00 C ATOM 1071 O THR A 68 32.273 1.260 6.578 1.00 0.00 O ATOM 1072 CB THR A 68 31.474 0.244 3.523 1.00 0.00 C ATOM 1073 OG1 THR A 68 30.709 1.428 3.773 1.00 0.00 O ATOM 1074 CG2 THR A 68 30.639 -0.747 2.726 1.00 0.00 C ATOM 0 H THR A 68 30.271 -0.099 6.096 1.00 0.00 H new ATOM 0 HA THR A 68 32.557 -1.248 4.646 1.00 0.00 H new ATOM 0 HB THR A 68 32.359 0.500 2.940 1.00 0.00 H new ATOM 0 HG1 THR A 68 29.873 1.188 4.224 1.00 0.00 H new ATOM 0 HG21 THR A 68 30.324 -0.287 1.790 1.00 0.00 H new ATOM 0 HG22 THR A 68 31.234 -1.635 2.512 1.00 0.00 H new ATOM 0 HG23 THR A 68 29.760 -1.031 3.305 1.00 0.00 H new ATOM 1082 N ARG A 69 34.003 0.844 5.200 1.00 0.00 N ATOM 1083 CA ARG A 69 34.892 1.800 5.850 1.00 0.00 C ATOM 1084 C ARG A 69 35.392 2.841 4.853 1.00 0.00 C ATOM 1085 O ARG A 69 36.390 3.520 5.097 1.00 0.00 O ATOM 1086 CB ARG A 69 36.080 1.074 6.484 1.00 0.00 C ATOM 1087 CG ARG A 69 36.969 0.363 5.476 1.00 0.00 C ATOM 1088 CD ARG A 69 36.514 -1.069 5.246 1.00 0.00 C ATOM 1089 NE ARG A 69 37.185 -2.007 6.143 1.00 0.00 N ATOM 1090 CZ ARG A 69 38.478 -2.301 6.066 1.00 0.00 C ATOM 1091 NH1 ARG A 69 39.236 -1.733 5.138 1.00 0.00 N ATOM 1092 NH2 ARG A 69 39.015 -3.164 6.918 1.00 0.00 N ATOM 0 H ARG A 69 34.419 0.350 4.410 1.00 0.00 H new ATOM 0 HA ARG A 69 34.328 2.310 6.631 1.00 0.00 H new ATOM 0 HB2 ARG A 69 36.680 1.794 7.040 1.00 0.00 H new ATOM 0 HB3 ARG A 69 35.707 0.346 7.204 1.00 0.00 H new ATOM 0 HG2 ARG A 69 36.956 0.906 4.531 1.00 0.00 H new ATOM 0 HG3 ARG A 69 37.999 0.366 5.832 1.00 0.00 H new ATOM 0 HD2 ARG A 69 35.436 -1.135 5.393 1.00 0.00 H new ATOM 0 HD3 ARG A 69 36.713 -1.351 4.212 1.00 0.00 H new ATOM 0 HE ARG A 69 36.630 -2.461 6.868 1.00 0.00 H new ATOM 0 HH11 ARG A 69 38.826 -1.069 4.481 1.00 0.00 H new ATOM 0 HH12 ARG A 69 40.229 -1.960 5.081 1.00 0.00 H new ATOM 0 HH21 ARG A 69 38.435 -3.603 7.633 1.00 0.00 H new ATOM 0 HH22 ARG A 69 40.008 -3.389 6.858 1.00 0.00 H new ATOM 1106 N MET A 70 34.692 2.962 3.729 1.00 0.00 N ATOM 1107 CA MET A 70 35.065 3.921 2.696 1.00 0.00 C ATOM 1108 C MET A 70 34.800 5.350 3.160 1.00 0.00 C ATOM 1109 O MET A 70 33.971 5.600 4.036 1.00 0.00 O ATOM 1110 CB MET A 70 34.293 3.639 1.406 1.00 0.00 C ATOM 1111 CG MET A 70 34.773 2.400 0.669 1.00 0.00 C ATOM 1112 SD MET A 70 33.724 1.978 -0.736 1.00 0.00 S ATOM 1113 CE MET A 70 32.144 1.751 0.076 1.00 0.00 C ATOM 0 H MET A 70 33.864 2.408 3.511 1.00 0.00 H new ATOM 0 HA MET A 70 36.132 3.813 2.503 1.00 0.00 H new ATOM 0 HB2 MET A 70 33.235 3.524 1.643 1.00 0.00 H new ATOM 0 HB3 MET A 70 34.379 4.501 0.745 1.00 0.00 H new ATOM 0 HG2 MET A 70 35.793 2.562 0.320 1.00 0.00 H new ATOM 0 HG3 MET A 70 34.802 1.559 1.361 1.00 0.00 H new ATOM 0 HE1 MET A 70 31.606 0.930 -0.398 1.00 0.00 H new ATOM 0 HE2 MET A 70 32.306 1.518 1.129 1.00 0.00 H new ATOM 0 HE3 MET A 70 31.557 2.666 -0.007 1.00 0.00 H new ATOM 1123 N PRO A 71 35.518 6.311 2.561 1.00 0.00 N ATOM 1124 CA PRO A 71 35.377 7.731 2.897 1.00 0.00 C ATOM 1125 C PRO A 71 34.042 8.306 2.436 1.00 0.00 C ATOM 1126 O PRO A 71 33.350 7.707 1.612 1.00 0.00 O ATOM 1127 CB PRO A 71 36.533 8.391 2.141 1.00 0.00 C ATOM 1128 CG PRO A 71 36.816 7.471 1.004 1.00 0.00 C ATOM 1129 CD PRO A 71 36.524 6.085 1.509 1.00 0.00 C ATOM 0 HA PRO A 71 35.402 7.899 3.974 1.00 0.00 H new ATOM 0 HB2 PRO A 71 36.259 9.385 1.787 1.00 0.00 H new ATOM 0 HB3 PRO A 71 37.407 8.511 2.781 1.00 0.00 H new ATOM 0 HG2 PRO A 71 36.193 7.712 0.143 1.00 0.00 H new ATOM 0 HG3 PRO A 71 37.853 7.558 0.681 1.00 0.00 H new ATOM 0 HD2 PRO A 71 36.140 5.441 0.717 1.00 0.00 H new ATOM 0 HD3 PRO A 71 37.419 5.605 1.905 1.00 0.00 H new ATOM 1137 N ILE A 72 33.688 9.469 2.971 1.00 0.00 N ATOM 1138 CA ILE A 72 32.436 10.124 2.613 1.00 0.00 C ATOM 1139 C ILE A 72 32.379 10.420 1.118 1.00 0.00 C ATOM 1140 O ILE A 72 31.305 10.426 0.517 1.00 0.00 O ATOM 1141 CB ILE A 72 32.246 11.439 3.393 1.00 0.00 C ATOM 1142 CG1 ILE A 72 32.339 11.182 4.898 1.00 0.00 C ATOM 1143 CG2 ILE A 72 30.909 12.075 3.040 1.00 0.00 C ATOM 1144 CD1 ILE A 72 32.428 12.447 5.722 1.00 0.00 C ATOM 0 H ILE A 72 34.250 9.977 3.654 1.00 0.00 H new ATOM 0 HA ILE A 72 31.633 9.436 2.876 1.00 0.00 H new ATOM 0 HB ILE A 72 33.041 12.130 3.112 1.00 0.00 H new ATOM 0 HG12 ILE A 72 31.466 10.612 5.216 1.00 0.00 H new ATOM 0 HG13 ILE A 72 33.214 10.564 5.100 1.00 0.00 H new ATOM 0 HG21 ILE A 72 30.789 13.003 3.599 1.00 0.00 H new ATOM 0 HG22 ILE A 72 30.878 12.288 1.971 1.00 0.00 H new ATOM 0 HG23 ILE A 72 30.101 11.390 3.297 1.00 0.00 H new ATOM 0 HD11 ILE A 72 32.491 12.189 6.779 1.00 0.00 H new ATOM 0 HD12 ILE A 72 33.316 13.009 5.432 1.00 0.00 H new ATOM 0 HD13 ILE A 72 31.541 13.057 5.550 1.00 0.00 H new ATOM 1156 N ALA A 73 33.543 10.664 0.524 1.00 0.00 N ATOM 1157 CA ALA A 73 33.626 10.957 -0.902 1.00 0.00 C ATOM 1158 C ALA A 73 33.207 9.750 -1.735 1.00 0.00 C ATOM 1159 O ALA A 73 32.421 9.874 -2.675 1.00 0.00 O ATOM 1160 CB ALA A 73 35.037 11.391 -1.270 1.00 0.00 C ATOM 0 H ALA A 73 34.441 10.665 1.008 1.00 0.00 H new ATOM 0 HA ALA A 73 32.938 11.773 -1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 73 35.085 11.607 -2.337 1.00 0.00 H new ATOM 0 HB2 ALA A 73 35.301 12.286 -0.707 1.00 0.00 H new ATOM 0 HB3 ALA A 73 35.738 10.592 -1.030 1.00 0.00 H new ATOM 1166 N THR A 74 33.739 8.583 -1.386 1.00 0.00 N ATOM 1167 CA THR A 74 33.422 7.354 -2.104 1.00 0.00 C ATOM 1168 C THR A 74 31.963 6.962 -1.905 1.00 0.00 C ATOM 1169 O THR A 74 31.246 6.690 -2.868 1.00 0.00 O ATOM 1170 CB THR A 74 34.321 6.189 -1.647 1.00 0.00 C ATOM 1171 OG1 THR A 74 35.699 6.529 -1.842 1.00 0.00 O ATOM 1172 CG2 THR A 74 33.993 4.919 -2.417 1.00 0.00 C ATOM 0 H THR A 74 34.391 8.463 -0.611 1.00 0.00 H new ATOM 0 HA THR A 74 33.602 7.550 -3.161 1.00 0.00 H new ATOM 0 HB THR A 74 34.137 6.010 -0.588 1.00 0.00 H new ATOM 0 HG1 THR A 74 36.264 5.785 -1.548 1.00 0.00 H new ATOM 0 HG21 THR A 74 34.640 4.110 -2.077 1.00 0.00 H new ATOM 0 HG22 THR A 74 32.952 4.647 -2.244 1.00 0.00 H new ATOM 0 HG23 THR A 74 34.152 5.088 -3.482 1.00 0.00 H new ATOM 1180 N VAL A 75 31.528 6.935 -0.649 1.00 0.00 N ATOM 1181 CA VAL A 75 30.152 6.578 -0.324 1.00 0.00 C ATOM 1182 C VAL A 75 29.163 7.481 -1.053 1.00 0.00 C ATOM 1183 O VAL A 75 28.133 7.022 -1.544 1.00 0.00 O ATOM 1184 CB VAL A 75 29.891 6.668 1.191 1.00 0.00 C ATOM 1185 CG1 VAL A 75 28.451 6.297 1.509 1.00 0.00 C ATOM 1186 CG2 VAL A 75 30.860 5.775 1.952 1.00 0.00 C ATOM 0 H VAL A 75 32.109 7.156 0.160 1.00 0.00 H new ATOM 0 HA VAL A 75 30.008 5.548 -0.649 1.00 0.00 H new ATOM 0 HB VAL A 75 30.054 7.698 1.509 1.00 0.00 H new ATOM 0 HG11 VAL A 75 28.286 6.367 2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 75 27.777 6.981 0.994 1.00 0.00 H new ATOM 0 HG13 VAL A 75 28.256 5.277 1.177 1.00 0.00 H new ATOM 0 HG21 VAL A 75 30.662 5.851 3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 75 30.731 4.741 1.631 1.00 0.00 H new ATOM 0 HG23 VAL A 75 31.883 6.092 1.750 1.00 0.00 H new ATOM 1196 N GLY A 76 29.484 8.769 -1.120 1.00 0.00 N ATOM 1197 CA GLY A 76 28.614 9.717 -1.791 1.00 0.00 C ATOM 1198 C GLY A 76 28.335 9.330 -3.230 1.00 0.00 C ATOM 1199 O GLY A 76 27.253 9.598 -3.753 1.00 0.00 O ATOM 0 H GLY A 76 30.331 9.173 -0.721 1.00 0.00 H new ATOM 0 HA2 GLY A 76 27.672 9.788 -1.248 1.00 0.00 H new ATOM 0 HA3 GLY A 76 29.072 10.706 -1.766 1.00 0.00 H new ATOM 1203 N ARG A 77 29.313 8.699 -3.871 1.00 0.00 N ATOM 1204 CA ARG A 77 29.168 8.277 -5.259 1.00 0.00 C ATOM 1205 C ARG A 77 28.187 7.114 -5.375 1.00 0.00 C ATOM 1206 O ARG A 77 27.475 6.986 -6.370 1.00 0.00 O ATOM 1207 CB ARG A 77 30.526 7.871 -5.836 1.00 0.00 C ATOM 1208 CG ARG A 77 30.708 8.257 -7.295 1.00 0.00 C ATOM 1209 CD ARG A 77 31.605 7.269 -8.024 1.00 0.00 C ATOM 1210 NE ARG A 77 32.028 7.773 -9.328 1.00 0.00 N ATOM 1211 CZ ARG A 77 32.974 7.202 -10.065 1.00 0.00 C ATOM 1212 NH1 ARG A 77 33.592 6.113 -9.629 1.00 0.00 N ATOM 1213 NH2 ARG A 77 33.303 7.720 -11.242 1.00 0.00 N ATOM 0 H ARG A 77 30.214 8.469 -3.452 1.00 0.00 H new ATOM 0 HA ARG A 77 28.775 9.119 -5.829 1.00 0.00 H new ATOM 0 HB2 ARG A 77 31.316 8.335 -5.245 1.00 0.00 H new ATOM 0 HB3 ARG A 77 30.646 6.792 -5.737 1.00 0.00 H new ATOM 0 HG2 ARG A 77 29.736 8.298 -7.786 1.00 0.00 H new ATOM 0 HG3 ARG A 77 31.139 9.256 -7.357 1.00 0.00 H new ATOM 0 HD2 ARG A 77 32.484 7.059 -7.414 1.00 0.00 H new ATOM 0 HD3 ARG A 77 31.075 6.326 -8.155 1.00 0.00 H new ATOM 0 HE ARG A 77 31.572 8.609 -9.693 1.00 0.00 H new ATOM 0 HH11 ARG A 77 33.341 5.712 -8.725 1.00 0.00 H new ATOM 0 HH12 ARG A 77 34.318 5.677 -10.197 1.00 0.00 H new ATOM 0 HH21 ARG A 77 32.829 8.557 -11.581 1.00 0.00 H new ATOM 0 HH22 ARG A 77 34.030 7.281 -11.807 1.00 0.00 H new ATOM 1227 N ASN A 78 28.156 6.269 -4.349 1.00 0.00 N ATOM 1228 CA ASN A 78 27.263 5.116 -4.336 1.00 0.00 C ATOM 1229 C ASN A 78 25.805 5.556 -4.430 1.00 0.00 C ATOM 1230 O ASN A 78 24.967 4.849 -4.991 1.00 0.00 O ATOM 1231 CB ASN A 78 27.478 4.293 -3.064 1.00 0.00 C ATOM 1232 CG ASN A 78 28.822 3.590 -3.050 1.00 0.00 C ATOM 1233 OD1 ASN A 78 29.297 3.116 -4.082 1.00 0.00 O ATOM 1234 ND2 ASN A 78 29.441 3.521 -1.878 1.00 0.00 N ATOM 0 H ASN A 78 28.738 6.361 -3.517 1.00 0.00 H new ATOM 0 HA ASN A 78 27.494 4.499 -5.204 1.00 0.00 H new ATOM 0 HB2 ASN A 78 27.404 4.947 -2.195 1.00 0.00 H new ATOM 0 HB3 ASN A 78 26.683 3.553 -2.975 1.00 0.00 H new ATOM 0 HD21 ASN A 78 30.348 3.061 -1.807 1.00 0.00 H new ATOM 0 HD22 ASN A 78 29.009 3.928 -1.048 1.00 0.00 H new ATOM 1241 N VAL A 79 25.509 6.728 -3.878 1.00 0.00 N ATOM 1242 CA VAL A 79 24.154 7.264 -3.901 1.00 0.00 C ATOM 1243 C VAL A 79 23.942 8.172 -5.107 1.00 0.00 C ATOM 1244 O VAL A 79 22.864 8.737 -5.291 1.00 0.00 O ATOM 1245 CB VAL A 79 23.841 8.054 -2.616 1.00 0.00 C ATOM 1246 CG1 VAL A 79 23.721 7.114 -1.427 1.00 0.00 C ATOM 1247 CG2 VAL A 79 24.908 9.110 -2.368 1.00 0.00 C ATOM 0 H VAL A 79 26.190 7.325 -3.409 1.00 0.00 H new ATOM 0 HA VAL A 79 23.478 6.412 -3.969 1.00 0.00 H new ATOM 0 HB VAL A 79 22.884 8.560 -2.744 1.00 0.00 H new ATOM 0 HG11 VAL A 79 23.500 7.690 -0.529 1.00 0.00 H new ATOM 0 HG12 VAL A 79 22.917 6.400 -1.607 1.00 0.00 H new ATOM 0 HG13 VAL A 79 24.660 6.577 -1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 79 24.672 9.659 -1.456 1.00 0.00 H new ATOM 0 HG22 VAL A 79 25.879 8.627 -2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 79 24.938 9.801 -3.210 1.00 0.00 H new ATOM 1257 N GLY A 80 24.978 8.307 -5.929 1.00 0.00 N ATOM 1258 CA GLY A 80 24.885 9.147 -7.109 1.00 0.00 C ATOM 1259 C GLY A 80 25.330 10.572 -6.842 1.00 0.00 C ATOM 1260 O GLY A 80 25.295 11.418 -7.736 1.00 0.00 O ATOM 0 H GLY A 80 25.880 7.850 -5.799 1.00 0.00 H new ATOM 0 HA2 GLY A 80 25.497 8.721 -7.904 1.00 0.00 H new ATOM 0 HA3 GLY A 80 23.856 9.152 -7.468 1.00 0.00 H new ATOM 1264 N PHE A 81 25.747 10.839 -5.609 1.00 0.00 N ATOM 1265 CA PHE A 81 26.198 12.172 -5.227 1.00 0.00 C ATOM 1266 C PHE A 81 27.705 12.313 -5.420 1.00 0.00 C ATOM 1267 O PHE A 81 28.492 11.619 -4.776 1.00 0.00 O ATOM 1268 CB PHE A 81 25.830 12.459 -3.769 1.00 0.00 C ATOM 1269 CG PHE A 81 24.352 12.596 -3.540 1.00 0.00 C ATOM 1270 CD1 PHE A 81 23.547 13.221 -4.478 1.00 0.00 C ATOM 1271 CD2 PHE A 81 23.768 12.100 -2.385 1.00 0.00 C ATOM 1272 CE1 PHE A 81 22.186 13.348 -4.271 1.00 0.00 C ATOM 1273 CE2 PHE A 81 22.408 12.224 -2.172 1.00 0.00 C ATOM 1274 CZ PHE A 81 21.616 12.850 -3.116 1.00 0.00 C ATOM 0 H PHE A 81 25.782 10.150 -4.857 1.00 0.00 H new ATOM 0 HA PHE A 81 25.698 12.896 -5.871 1.00 0.00 H new ATOM 0 HB2 PHE A 81 26.214 11.655 -3.141 1.00 0.00 H new ATOM 0 HB3 PHE A 81 26.325 13.376 -3.451 1.00 0.00 H new ATOM 0 HD1 PHE A 81 23.988 13.614 -5.382 1.00 0.00 H new ATOM 0 HD2 PHE A 81 24.382 11.611 -1.643 1.00 0.00 H new ATOM 0 HE1 PHE A 81 21.570 13.836 -5.011 1.00 0.00 H new ATOM 0 HE2 PHE A 81 21.965 11.832 -1.269 1.00 0.00 H new ATOM 0 HZ PHE A 81 20.553 12.949 -2.951 1.00 0.00 H new ATOM 1284 N ASP A 82 28.099 13.216 -6.311 1.00 0.00 N ATOM 1285 CA ASP A 82 29.511 13.449 -6.590 1.00 0.00 C ATOM 1286 C ASP A 82 30.121 14.388 -5.554 1.00 0.00 C ATOM 1287 O ASP A 82 31.305 14.287 -5.231 1.00 0.00 O ATOM 1288 CB ASP A 82 29.686 14.034 -7.992 1.00 0.00 C ATOM 1289 CG ASP A 82 29.073 15.415 -8.124 1.00 0.00 C ATOM 1290 OD1 ASP A 82 27.837 15.531 -7.988 1.00 0.00 O ATOM 1291 OD2 ASP A 82 29.830 16.379 -8.363 1.00 0.00 O ATOM 0 H ASP A 82 27.460 13.799 -6.852 1.00 0.00 H new ATOM 0 HA ASP A 82 30.030 12.492 -6.537 1.00 0.00 H new ATOM 0 HB2 ASP A 82 30.748 14.087 -8.230 1.00 0.00 H new ATOM 0 HB3 ASP A 82 29.229 13.365 -8.721 1.00 0.00 H new ATOM 1296 N ASP A 83 29.306 15.301 -5.037 1.00 0.00 N ATOM 1297 CA ASP A 83 29.766 16.258 -4.038 1.00 0.00 C ATOM 1298 C ASP A 83 29.673 15.666 -2.635 1.00 0.00 C ATOM 1299 O ASP A 83 28.589 15.314 -2.171 1.00 0.00 O ATOM 1300 CB ASP A 83 28.943 17.545 -4.117 1.00 0.00 C ATOM 1301 CG ASP A 83 29.361 18.430 -5.275 1.00 0.00 C ATOM 1302 OD1 ASP A 83 30.438 19.056 -5.184 1.00 0.00 O ATOM 1303 OD2 ASP A 83 28.613 18.494 -6.272 1.00 0.00 O ATOM 0 H ASP A 83 28.324 15.398 -5.293 1.00 0.00 H new ATOM 0 HA ASP A 83 30.810 16.490 -4.247 1.00 0.00 H new ATOM 0 HB2 ASP A 83 27.888 17.292 -4.219 1.00 0.00 H new ATOM 0 HB3 ASP A 83 29.049 18.098 -3.184 1.00 0.00 H new ATOM 1308 N GLN A 84 30.816 15.558 -1.967 1.00 0.00 N ATOM 1309 CA GLN A 84 30.863 15.006 -0.618 1.00 0.00 C ATOM 1310 C GLN A 84 30.060 15.868 0.351 1.00 0.00 C ATOM 1311 O GLN A 84 29.403 15.354 1.257 1.00 0.00 O ATOM 1312 CB GLN A 84 32.312 14.895 -0.140 1.00 0.00 C ATOM 1313 CG GLN A 84 32.449 14.309 1.256 1.00 0.00 C ATOM 1314 CD GLN A 84 33.777 14.648 1.904 1.00 0.00 C ATOM 1315 OE1 GLN A 84 34.559 13.760 2.244 1.00 0.00 O ATOM 1316 NE2 GLN A 84 34.039 15.938 2.078 1.00 0.00 N ATOM 0 H GLN A 84 31.722 15.845 -2.337 1.00 0.00 H new ATOM 0 HA GLN A 84 30.419 14.011 -0.644 1.00 0.00 H new ATOM 0 HB2 GLN A 84 32.871 14.275 -0.841 1.00 0.00 H new ATOM 0 HB3 GLN A 84 32.768 15.885 -0.156 1.00 0.00 H new ATOM 0 HG2 GLN A 84 31.638 14.680 1.883 1.00 0.00 H new ATOM 0 HG3 GLN A 84 32.341 13.226 1.203 1.00 0.00 H new ATOM 0 HE21 GLN A 84 33.362 16.641 1.781 1.00 0.00 H new ATOM 0 HE22 GLN A 84 34.918 16.226 2.509 1.00 0.00 H new ATOM 1325 N LEU A 85 30.118 17.180 0.154 1.00 0.00 N ATOM 1326 CA LEU A 85 29.396 18.114 1.011 1.00 0.00 C ATOM 1327 C LEU A 85 27.889 17.982 0.813 1.00 0.00 C ATOM 1328 O LEU A 85 27.111 18.165 1.750 1.00 0.00 O ATOM 1329 CB LEU A 85 29.836 19.550 0.719 1.00 0.00 C ATOM 1330 CG LEU A 85 31.221 19.945 1.231 1.00 0.00 C ATOM 1331 CD1 LEU A 85 31.674 21.249 0.594 1.00 0.00 C ATOM 1332 CD2 LEU A 85 31.215 20.064 2.748 1.00 0.00 C ATOM 0 H LEU A 85 30.657 17.621 -0.591 1.00 0.00 H new ATOM 0 HA LEU A 85 29.630 17.872 2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 85 29.812 19.704 -0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 85 29.103 20.229 1.154 1.00 0.00 H new ATOM 0 HG LEU A 85 31.927 19.163 0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 85 32.662 21.514 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 85 31.719 21.129 -0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.967 22.040 0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 85 32.209 20.346 3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 85 30.496 20.825 3.050 1.00 0.00 H new ATOM 0 HD23 LEU A 85 30.936 19.106 3.187 1.00 0.00 H new ATOM 1344 N TYR A 86 27.485 17.661 -0.411 1.00 0.00 N ATOM 1345 CA TYR A 86 26.071 17.504 -0.732 1.00 0.00 C ATOM 1346 C TYR A 86 25.440 16.403 0.114 1.00 0.00 C ATOM 1347 O TYR A 86 24.369 16.586 0.694 1.00 0.00 O ATOM 1348 CB TYR A 86 25.897 17.186 -2.218 1.00 0.00 C ATOM 1349 CG TYR A 86 24.458 17.230 -2.682 1.00 0.00 C ATOM 1350 CD1 TYR A 86 23.569 16.215 -2.351 1.00 0.00 C ATOM 1351 CD2 TYR A 86 23.988 18.288 -3.450 1.00 0.00 C ATOM 1352 CE1 TYR A 86 22.254 16.252 -2.773 1.00 0.00 C ATOM 1353 CE2 TYR A 86 22.675 18.333 -3.876 1.00 0.00 C ATOM 1354 CZ TYR A 86 21.812 17.313 -3.535 1.00 0.00 C ATOM 1355 OH TYR A 86 20.502 17.353 -3.957 1.00 0.00 O ATOM 0 H TYR A 86 28.116 17.504 -1.197 1.00 0.00 H new ATOM 0 HA TYR A 86 25.566 18.443 -0.507 1.00 0.00 H new ATOM 0 HB2 TYR A 86 26.481 17.896 -2.804 1.00 0.00 H new ATOM 0 HB3 TYR A 86 26.305 16.195 -2.419 1.00 0.00 H new ATOM 0 HD1 TYR A 86 23.912 15.383 -1.754 1.00 0.00 H new ATOM 0 HD2 TYR A 86 24.661 19.089 -3.718 1.00 0.00 H new ATOM 0 HE1 TYR A 86 21.576 15.454 -2.508 1.00 0.00 H new ATOM 0 HE2 TYR A 86 22.326 19.163 -4.473 1.00 0.00 H new ATOM 0 HH TYR A 86 20.352 18.167 -4.482 1.00 0.00 H new ATOM 1365 N PHE A 87 26.111 15.258 0.179 1.00 0.00 N ATOM 1366 CA PHE A 87 25.617 14.125 0.953 1.00 0.00 C ATOM 1367 C PHE A 87 25.615 14.445 2.445 1.00 0.00 C ATOM 1368 O PHE A 87 24.712 14.039 3.177 1.00 0.00 O ATOM 1369 CB PHE A 87 26.474 12.886 0.687 1.00 0.00 C ATOM 1370 CG PHE A 87 26.155 11.731 1.593 1.00 0.00 C ATOM 1371 CD1 PHE A 87 24.947 11.061 1.484 1.00 0.00 C ATOM 1372 CD2 PHE A 87 27.063 11.316 2.554 1.00 0.00 C ATOM 1373 CE1 PHE A 87 24.651 9.997 2.316 1.00 0.00 C ATOM 1374 CE2 PHE A 87 26.772 10.253 3.388 1.00 0.00 C ATOM 1375 CZ PHE A 87 25.564 9.593 3.270 1.00 0.00 C ATOM 0 H PHE A 87 26.998 15.090 -0.295 1.00 0.00 H new ATOM 0 HA PHE A 87 24.592 13.923 0.641 1.00 0.00 H new ATOM 0 HB2 PHE A 87 26.336 12.574 -0.348 1.00 0.00 H new ATOM 0 HB3 PHE A 87 27.525 13.149 0.803 1.00 0.00 H new ATOM 0 HD1 PHE A 87 24.228 11.373 0.741 1.00 0.00 H new ATOM 0 HD2 PHE A 87 28.008 11.829 2.652 1.00 0.00 H new ATOM 0 HE1 PHE A 87 23.706 9.482 2.220 1.00 0.00 H new ATOM 0 HE2 PHE A 87 27.489 9.938 4.132 1.00 0.00 H new ATOM 0 HZ PHE A 87 25.334 8.763 3.922 1.00 0.00 H new ATOM 1385 N SER A 88 26.633 15.175 2.889 1.00 0.00 N ATOM 1386 CA SER A 88 26.752 15.547 4.294 1.00 0.00 C ATOM 1387 C SER A 88 25.619 16.482 4.707 1.00 0.00 C ATOM 1388 O SER A 88 25.105 16.397 5.822 1.00 0.00 O ATOM 1389 CB SER A 88 28.102 16.218 4.553 1.00 0.00 C ATOM 1390 OG SER A 88 29.172 15.316 4.328 1.00 0.00 O ATOM 0 H SER A 88 27.387 15.521 2.296 1.00 0.00 H new ATOM 0 HA SER A 88 26.685 14.638 4.892 1.00 0.00 H new ATOM 0 HB2 SER A 88 28.211 17.086 3.902 1.00 0.00 H new ATOM 0 HB3 SER A 88 28.139 16.583 5.580 1.00 0.00 H new ATOM 0 HG SER A 88 29.352 15.255 3.367 1.00 0.00 H new ATOM 1396 N ARG A 89 25.236 17.373 3.799 1.00 0.00 N ATOM 1397 CA ARG A 89 24.165 18.325 4.068 1.00 0.00 C ATOM 1398 C ARG A 89 22.838 17.604 4.283 1.00 0.00 C ATOM 1399 O ARG A 89 22.140 17.847 5.268 1.00 0.00 O ATOM 1400 CB ARG A 89 24.036 19.320 2.912 1.00 0.00 C ATOM 1401 CG ARG A 89 25.052 20.449 2.964 1.00 0.00 C ATOM 1402 CD ARG A 89 24.951 21.345 1.740 1.00 0.00 C ATOM 1403 NE ARG A 89 23.636 21.969 1.625 1.00 0.00 N ATOM 1404 CZ ARG A 89 23.329 22.872 0.700 1.00 0.00 C ATOM 1405 NH1 ARG A 89 24.238 23.253 -0.187 1.00 0.00 N ATOM 1406 NH2 ARG A 89 22.110 23.394 0.660 1.00 0.00 N ATOM 0 H ARG A 89 25.651 17.456 2.871 1.00 0.00 H new ATOM 0 HA ARG A 89 24.416 18.868 4.979 1.00 0.00 H new ATOM 0 HB2 ARG A 89 24.148 18.785 1.969 1.00 0.00 H new ATOM 0 HB3 ARG A 89 23.032 19.745 2.920 1.00 0.00 H new ATOM 0 HG2 ARG A 89 24.893 21.042 3.865 1.00 0.00 H new ATOM 0 HG3 ARG A 89 26.057 20.033 3.030 1.00 0.00 H new ATOM 0 HD2 ARG A 89 25.716 22.119 1.794 1.00 0.00 H new ATOM 0 HD3 ARG A 89 25.153 20.758 0.844 1.00 0.00 H new ATOM 0 HE ARG A 89 22.913 21.697 2.291 1.00 0.00 H new ATOM 0 HH11 ARG A 89 25.176 22.853 -0.160 1.00 0.00 H new ATOM 0 HH12 ARG A 89 23.999 23.946 -0.896 1.00 0.00 H new ATOM 0 HH21 ARG A 89 21.408 23.102 1.340 1.00 0.00 H new ATOM 0 HH22 ARG A 89 21.875 24.087 -0.050 1.00 0.00 H new ATOM 1420 N VAL A 90 22.495 16.717 3.355 1.00 0.00 N ATOM 1421 CA VAL A 90 21.252 15.960 3.443 1.00 0.00 C ATOM 1422 C VAL A 90 21.310 14.937 4.572 1.00 0.00 C ATOM 1423 O VAL A 90 20.351 14.774 5.327 1.00 0.00 O ATOM 1424 CB VAL A 90 20.943 15.232 2.121 1.00 0.00 C ATOM 1425 CG1 VAL A 90 19.647 14.443 2.236 1.00 0.00 C ATOM 1426 CG2 VAL A 90 20.873 16.224 0.970 1.00 0.00 C ATOM 0 H VAL A 90 23.061 16.505 2.533 1.00 0.00 H new ATOM 0 HA VAL A 90 20.458 16.678 3.648 1.00 0.00 H new ATOM 0 HB VAL A 90 21.751 14.530 1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 90 19.445 13.936 1.293 1.00 0.00 H new ATOM 0 HG12 VAL A 90 19.740 13.705 3.033 1.00 0.00 H new ATOM 0 HG13 VAL A 90 18.826 15.123 2.465 1.00 0.00 H new ATOM 0 HG21 VAL A 90 20.654 15.692 0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 90 20.086 16.953 1.165 1.00 0.00 H new ATOM 0 HG23 VAL A 90 21.829 16.739 0.875 1.00 0.00 H new ATOM 1436 N PHE A 91 22.442 14.251 4.683 1.00 0.00 N ATOM 1437 CA PHE A 91 22.626 13.242 5.721 1.00 0.00 C ATOM 1438 C PHE A 91 22.593 13.877 7.108 1.00 0.00 C ATOM 1439 O PHE A 91 22.083 13.288 8.061 1.00 0.00 O ATOM 1440 CB PHE A 91 23.952 12.506 5.516 1.00 0.00 C ATOM 1441 CG PHE A 91 24.242 11.487 6.581 1.00 0.00 C ATOM 1442 CD1 PHE A 91 24.853 11.859 7.767 1.00 0.00 C ATOM 1443 CD2 PHE A 91 23.902 10.156 6.396 1.00 0.00 C ATOM 1444 CE1 PHE A 91 25.122 10.923 8.748 1.00 0.00 C ATOM 1445 CE2 PHE A 91 24.167 9.216 7.373 1.00 0.00 C ATOM 1446 CZ PHE A 91 24.777 9.600 8.551 1.00 0.00 C ATOM 0 H PHE A 91 23.246 14.375 4.068 1.00 0.00 H new ATOM 0 HA PHE A 91 21.806 12.527 5.648 1.00 0.00 H new ATOM 0 HB2 PHE A 91 23.937 12.011 4.545 1.00 0.00 H new ATOM 0 HB3 PHE A 91 24.763 13.234 5.491 1.00 0.00 H new ATOM 0 HD1 PHE A 91 25.122 12.893 7.927 1.00 0.00 H new ATOM 0 HD2 PHE A 91 23.424 9.850 5.477 1.00 0.00 H new ATOM 0 HE1 PHE A 91 25.601 11.226 9.667 1.00 0.00 H new ATOM 0 HE2 PHE A 91 23.897 8.182 7.216 1.00 0.00 H new ATOM 0 HZ PHE A 91 24.984 8.867 9.317 1.00 0.00 H new ATOM 1456 N LYS A 92 23.141 15.083 7.213 1.00 0.00 N ATOM 1457 CA LYS A 92 23.175 15.800 8.482 1.00 0.00 C ATOM 1458 C LYS A 92 21.766 16.001 9.031 1.00 0.00 C ATOM 1459 O LYS A 92 21.505 15.749 10.208 1.00 0.00 O ATOM 1460 CB LYS A 92 23.864 17.156 8.308 1.00 0.00 C ATOM 1461 CG LYS A 92 23.832 18.019 9.557 1.00 0.00 C ATOM 1462 CD LYS A 92 24.425 19.395 9.298 1.00 0.00 C ATOM 1463 CE LYS A 92 24.248 20.312 10.499 1.00 0.00 C ATOM 1464 NZ LYS A 92 25.324 20.117 11.509 1.00 0.00 N ATOM 0 H LYS A 92 23.568 15.584 6.434 1.00 0.00 H new ATOM 0 HA LYS A 92 23.742 15.200 9.194 1.00 0.00 H new ATOM 0 HB2 LYS A 92 24.901 16.992 8.016 1.00 0.00 H new ATOM 0 HB3 LYS A 92 23.385 17.696 7.491 1.00 0.00 H new ATOM 0 HG2 LYS A 92 22.803 18.124 9.902 1.00 0.00 H new ATOM 0 HG3 LYS A 92 24.387 17.527 10.355 1.00 0.00 H new ATOM 0 HD2 LYS A 92 25.486 19.298 9.066 1.00 0.00 H new ATOM 0 HD3 LYS A 92 23.947 19.840 8.425 1.00 0.00 H new ATOM 0 HE2 LYS A 92 24.246 21.350 10.166 1.00 0.00 H new ATOM 0 HE3 LYS A 92 23.279 20.123 10.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 25.168 20.760 12.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 25.310 19.133 11.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 26.247 20.322 11.076 1.00 0.00 H new ATOM 1478 N LYS A 93 20.860 16.456 8.172 1.00 0.00 N ATOM 1479 CA LYS A 93 19.477 16.688 8.569 1.00 0.00 C ATOM 1480 C LYS A 93 18.719 15.371 8.697 1.00 0.00 C ATOM 1481 O LYS A 93 17.734 15.280 9.431 1.00 0.00 O ATOM 1482 CB LYS A 93 18.778 17.594 7.552 1.00 0.00 C ATOM 1483 CG LYS A 93 18.067 16.833 6.447 1.00 0.00 C ATOM 1484 CD LYS A 93 17.961 17.661 5.178 1.00 0.00 C ATOM 1485 CE LYS A 93 17.331 16.866 4.044 1.00 0.00 C ATOM 1486 NZ LYS A 93 17.666 17.441 2.712 1.00 0.00 N ATOM 0 H LYS A 93 21.060 16.672 7.195 1.00 0.00 H new ATOM 0 HA LYS A 93 19.482 17.180 9.542 1.00 0.00 H new ATOM 0 HB2 LYS A 93 18.055 18.221 8.073 1.00 0.00 H new ATOM 0 HB3 LYS A 93 19.515 18.262 7.106 1.00 0.00 H new ATOM 0 HG2 LYS A 93 18.606 15.909 6.236 1.00 0.00 H new ATOM 0 HG3 LYS A 93 17.069 16.551 6.783 1.00 0.00 H new ATOM 0 HD2 LYS A 93 17.365 18.553 5.373 1.00 0.00 H new ATOM 0 HD3 LYS A 93 18.953 17.999 4.879 1.00 0.00 H new ATOM 0 HE2 LYS A 93 17.674 15.833 4.090 1.00 0.00 H new ATOM 0 HE3 LYS A 93 16.248 16.848 4.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 17.411 16.762 1.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 17.135 18.324 2.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 18.686 17.639 2.666 1.00 0.00 H new ATOM 1500 N CYS A 94 19.185 14.354 7.982 1.00 0.00 N ATOM 1501 CA CYS A 94 18.551 13.040 8.016 1.00 0.00 C ATOM 1502 C CYS A 94 18.466 12.515 9.446 1.00 0.00 C ATOM 1503 O CYS A 94 17.405 12.081 9.898 1.00 0.00 O ATOM 1504 CB CYS A 94 19.326 12.053 7.143 1.00 0.00 C ATOM 1505 SG CYS A 94 18.534 10.437 6.973 1.00 0.00 S ATOM 0 H CYS A 94 20.000 14.413 7.371 1.00 0.00 H new ATOM 0 HA CYS A 94 17.539 13.142 7.624 1.00 0.00 H new ATOM 0 HB2 CYS A 94 19.458 12.487 6.152 1.00 0.00 H new ATOM 0 HB3 CYS A 94 20.321 11.915 7.565 1.00 0.00 H new ATOM 0 HG CYS A 94 18.318 10.190 5.715 1.00 0.00 H new ATOM 1511 N THR A 95 19.590 12.556 10.154 1.00 0.00 N ATOM 1512 CA THR A 95 19.644 12.082 11.531 1.00 0.00 C ATOM 1513 C THR A 95 19.820 13.241 12.505 1.00 0.00 C ATOM 1514 O THR A 95 19.720 13.066 13.718 1.00 0.00 O ATOM 1515 CB THR A 95 20.793 11.076 11.734 1.00 0.00 C ATOM 1516 OG1 THR A 95 22.052 11.758 11.704 1.00 0.00 O ATOM 1517 CG2 THR A 95 20.767 10.001 10.659 1.00 0.00 C ATOM 0 H THR A 95 20.476 12.913 9.796 1.00 0.00 H new ATOM 0 HA THR A 95 18.695 11.584 11.731 1.00 0.00 H new ATOM 0 HB THR A 95 20.662 10.599 12.705 1.00 0.00 H new ATOM 0 HG1 THR A 95 22.777 11.112 11.835 1.00 0.00 H new ATOM 0 HG21 THR A 95 21.587 9.302 10.823 1.00 0.00 H new ATOM 0 HG22 THR A 95 19.819 9.465 10.704 1.00 0.00 H new ATOM 0 HG23 THR A 95 20.876 10.464 9.678 1.00 0.00 H new ATOM 1525 N GLY A 96 20.083 14.428 11.965 1.00 0.00 N ATOM 1526 CA GLY A 96 20.269 15.599 12.801 1.00 0.00 C ATOM 1527 C GLY A 96 21.730 15.881 13.088 1.00 0.00 C ATOM 1528 O GLY A 96 22.067 16.904 13.683 1.00 0.00 O ATOM 0 H GLY A 96 20.170 14.599 10.963 1.00 0.00 H new ATOM 0 HA2 GLY A 96 19.824 16.465 12.311 1.00 0.00 H new ATOM 0 HA3 GLY A 96 19.738 15.458 13.742 1.00 0.00 H new ATOM 1532 N ALA A 97 22.601 14.971 12.665 1.00 0.00 N ATOM 1533 CA ALA A 97 24.034 15.127 12.879 1.00 0.00 C ATOM 1534 C ALA A 97 24.822 14.729 11.635 1.00 0.00 C ATOM 1535 O ALA A 97 24.414 13.841 10.888 1.00 0.00 O ATOM 1536 CB ALA A 97 24.482 14.301 14.076 1.00 0.00 C ATOM 0 H ALA A 97 22.339 14.118 12.172 1.00 0.00 H new ATOM 0 HA ALA A 97 24.233 16.179 13.082 1.00 0.00 H new ATOM 0 HB1 ALA A 97 25.555 14.427 14.224 1.00 0.00 H new ATOM 0 HB2 ALA A 97 23.951 14.635 14.967 1.00 0.00 H new ATOM 0 HB3 ALA A 97 24.262 13.249 13.895 1.00 0.00 H new ATOM 1542 N SER A 98 25.953 15.394 11.419 1.00 0.00 N ATOM 1543 CA SER A 98 26.796 15.113 10.263 1.00 0.00 C ATOM 1544 C SER A 98 27.374 13.703 10.342 1.00 0.00 C ATOM 1545 O SER A 98 27.399 13.073 11.399 1.00 0.00 O ATOM 1546 CB SER A 98 27.929 16.136 10.170 1.00 0.00 C ATOM 1547 OG SER A 98 28.154 16.763 11.421 1.00 0.00 O ATOM 0 H SER A 98 26.306 16.131 12.029 1.00 0.00 H new ATOM 0 HA SER A 98 26.178 15.184 9.368 1.00 0.00 H new ATOM 0 HB2 SER A 98 28.842 15.643 9.838 1.00 0.00 H new ATOM 0 HB3 SER A 98 27.683 16.889 9.421 1.00 0.00 H new ATOM 0 HG SER A 98 28.884 17.411 11.335 1.00 0.00 H new ATOM 1553 N PRO A 99 27.850 13.195 9.195 1.00 0.00 N ATOM 1554 CA PRO A 99 28.437 11.854 9.107 1.00 0.00 C ATOM 1555 C PRO A 99 29.781 11.763 9.821 1.00 0.00 C ATOM 1556 O PRO A 99 30.140 10.714 10.355 1.00 0.00 O ATOM 1557 CB PRO A 99 28.615 11.643 7.602 1.00 0.00 C ATOM 1558 CG PRO A 99 28.724 13.017 7.037 1.00 0.00 C ATOM 1559 CD PRO A 99 27.852 13.889 7.897 1.00 0.00 C ATOM 0 HA PRO A 99 27.810 11.102 9.585 1.00 0.00 H new ATOM 0 HB2 PRO A 99 29.507 11.055 7.388 1.00 0.00 H new ATOM 0 HB3 PRO A 99 27.769 11.105 7.175 1.00 0.00 H new ATOM 0 HG2 PRO A 99 29.757 13.364 7.051 1.00 0.00 H new ATOM 0 HG3 PRO A 99 28.394 13.039 5.998 1.00 0.00 H new ATOM 0 HD2 PRO A 99 28.253 14.899 7.982 1.00 0.00 H new ATOM 0 HD3 PRO A 99 26.846 13.979 7.488 1.00 0.00 H new ATOM 1567 N SER A 100 30.520 12.867 9.825 1.00 0.00 N ATOM 1568 CA SER A 100 31.827 12.910 10.470 1.00 0.00 C ATOM 1569 C SER A 100 31.691 12.778 11.984 1.00 0.00 C ATOM 1570 O SER A 100 32.544 12.188 12.645 1.00 0.00 O ATOM 1571 CB SER A 100 32.549 14.214 10.123 1.00 0.00 C ATOM 1572 OG SER A 100 31.677 15.325 10.239 1.00 0.00 O ATOM 0 H SER A 100 30.236 13.744 9.389 1.00 0.00 H new ATOM 0 HA SER A 100 32.414 12.069 10.101 1.00 0.00 H new ATOM 0 HB2 SER A 100 33.404 14.348 10.786 1.00 0.00 H new ATOM 0 HB3 SER A 100 32.939 14.158 9.107 1.00 0.00 H new ATOM 0 HG SER A 100 32.162 16.146 10.014 1.00 0.00 H new ATOM 1578 N GLU A 101 30.610 13.333 12.525 1.00 0.00 N ATOM 1579 CA GLU A 101 30.362 13.279 13.960 1.00 0.00 C ATOM 1580 C GLU A 101 29.901 11.886 14.380 1.00 0.00 C ATOM 1581 O GLU A 101 30.405 11.320 15.351 1.00 0.00 O ATOM 1582 CB GLU A 101 29.310 14.317 14.358 1.00 0.00 C ATOM 1583 CG GLU A 101 29.143 14.469 15.861 1.00 0.00 C ATOM 1584 CD GLU A 101 29.979 15.599 16.429 1.00 0.00 C ATOM 1585 OE1 GLU A 101 30.963 15.999 15.772 1.00 0.00 O ATOM 1586 OE2 GLU A 101 29.649 16.083 17.532 1.00 0.00 O ATOM 0 H GLU A 101 29.893 13.824 11.991 1.00 0.00 H new ATOM 0 HA GLU A 101 31.297 13.504 14.473 1.00 0.00 H new ATOM 0 HB2 GLU A 101 29.585 15.282 13.932 1.00 0.00 H new ATOM 0 HB3 GLU A 101 28.352 14.037 13.921 1.00 0.00 H new ATOM 0 HG2 GLU A 101 28.093 14.649 16.090 1.00 0.00 H new ATOM 0 HG3 GLU A 101 29.421 13.535 16.350 1.00 0.00 H new ATOM 1593 N PHE A 102 28.941 11.339 13.643 1.00 0.00 N ATOM 1594 CA PHE A 102 28.410 10.013 13.939 1.00 0.00 C ATOM 1595 C PHE A 102 29.518 8.964 13.903 1.00 0.00 C ATOM 1596 O PHE A 102 29.532 8.033 14.707 1.00 0.00 O ATOM 1597 CB PHE A 102 27.311 9.646 12.940 1.00 0.00 C ATOM 1598 CG PHE A 102 26.352 8.613 13.458 1.00 0.00 C ATOM 1599 CD1 PHE A 102 26.602 7.262 13.276 1.00 0.00 C ATOM 1600 CD2 PHE A 102 25.199 8.992 14.126 1.00 0.00 C ATOM 1601 CE1 PHE A 102 25.721 6.309 13.751 1.00 0.00 C ATOM 1602 CE2 PHE A 102 24.315 8.044 14.604 1.00 0.00 C ATOM 1603 CZ PHE A 102 24.575 6.701 14.416 1.00 0.00 C ATOM 0 H PHE A 102 28.514 11.793 12.836 1.00 0.00 H new ATOM 0 HA PHE A 102 27.986 10.034 14.943 1.00 0.00 H new ATOM 0 HB2 PHE A 102 26.756 10.546 12.676 1.00 0.00 H new ATOM 0 HB3 PHE A 102 27.772 9.276 12.024 1.00 0.00 H new ATOM 0 HD1 PHE A 102 27.496 6.950 12.757 1.00 0.00 H new ATOM 0 HD2 PHE A 102 24.989 10.041 14.275 1.00 0.00 H new ATOM 0 HE1 PHE A 102 25.928 5.259 13.603 1.00 0.00 H new ATOM 0 HE2 PHE A 102 23.421 8.353 15.125 1.00 0.00 H new ATOM 0 HZ PHE A 102 23.884 5.959 14.788 1.00 0.00 H new ATOM 1613 N ARG A 103 30.444 9.123 12.963 1.00 0.00 N ATOM 1614 CA ARG A 103 31.554 8.189 12.819 1.00 0.00 C ATOM 1615 C ARG A 103 32.394 8.142 14.093 1.00 0.00 C ATOM 1616 O ARG A 103 32.821 7.073 14.528 1.00 0.00 O ATOM 1617 CB ARG A 103 32.433 8.586 11.631 1.00 0.00 C ATOM 1618 CG ARG A 103 33.017 7.400 10.882 1.00 0.00 C ATOM 1619 CD ARG A 103 31.929 6.565 10.225 1.00 0.00 C ATOM 1620 NE ARG A 103 32.274 6.197 8.854 1.00 0.00 N ATOM 1621 CZ ARG A 103 32.248 7.049 7.835 1.00 0.00 C ATOM 1622 NH1 ARG A 103 31.894 8.311 8.032 1.00 0.00 N ATOM 1623 NH2 ARG A 103 32.576 6.638 6.617 1.00 0.00 N ATOM 0 H ARG A 103 30.447 9.890 12.290 1.00 0.00 H new ATOM 0 HA ARG A 103 31.140 7.197 12.640 1.00 0.00 H new ATOM 0 HB2 ARG A 103 31.844 9.187 10.939 1.00 0.00 H new ATOM 0 HB3 ARG A 103 33.248 9.217 11.987 1.00 0.00 H new ATOM 0 HG2 ARG A 103 33.713 7.755 10.122 1.00 0.00 H new ATOM 0 HG3 ARG A 103 33.588 6.778 11.572 1.00 0.00 H new ATOM 0 HD2 ARG A 103 31.761 5.662 10.812 1.00 0.00 H new ATOM 0 HD3 ARG A 103 30.993 7.124 10.226 1.00 0.00 H new ATOM 0 HE ARG A 103 32.550 5.233 8.669 1.00 0.00 H new ATOM 0 HH11 ARG A 103 31.641 8.630 8.967 1.00 0.00 H new ATOM 0 HH12 ARG A 103 31.875 8.964 7.248 1.00 0.00 H new ATOM 0 HH21 ARG A 103 32.848 5.667 6.462 1.00 0.00 H new ATOM 0 HH22 ARG A 103 32.556 7.293 5.835 1.00 0.00 H new ATOM 1637 N ALA A 104 32.625 9.309 14.686 1.00 0.00 N ATOM 1638 CA ALA A 104 33.412 9.401 15.909 1.00 0.00 C ATOM 1639 C ALA A 104 32.613 8.914 17.114 1.00 0.00 C ATOM 1640 O ALA A 104 33.180 8.438 18.096 1.00 0.00 O ATOM 1641 CB ALA A 104 33.881 10.832 16.129 1.00 0.00 C ATOM 0 H ALA A 104 32.278 10.203 14.339 1.00 0.00 H new ATOM 0 HA ALA A 104 34.284 8.757 15.799 1.00 0.00 H new ATOM 0 HB1 ALA A 104 34.468 10.886 17.046 1.00 0.00 H new ATOM 0 HB2 ALA A 104 34.496 11.147 15.286 1.00 0.00 H new ATOM 0 HB3 ALA A 104 33.016 11.490 16.213 1.00 0.00 H new ATOM 1647 N GLY A 105 31.291 9.038 17.030 1.00 0.00 N ATOM 1648 CA GLY A 105 30.436 8.607 18.121 1.00 0.00 C ATOM 1649 C GLY A 105 30.254 9.681 19.174 1.00 0.00 C ATOM 1650 O GLY A 105 29.746 9.412 20.263 1.00 0.00 O ATOM 0 H GLY A 105 30.798 9.429 16.227 1.00 0.00 H new ATOM 0 HA2 GLY A 105 29.461 8.323 17.724 1.00 0.00 H new ATOM 0 HA3 GLY A 105 30.863 7.718 18.584 1.00 0.00 H new ATOM 1654 N CYS A 106 30.670 10.900 18.852 1.00 0.00 N ATOM 1655 CA CYS A 106 30.553 12.019 19.780 1.00 0.00 C ATOM 1656 C CYS A 106 29.159 12.636 19.715 1.00 0.00 C ATOM 1657 O CYS A 106 28.630 12.882 18.631 1.00 0.00 O ATOM 1658 CB CYS A 106 31.609 13.081 19.468 1.00 0.00 C ATOM 1659 SG CYS A 106 31.901 14.249 20.817 1.00 0.00 S ATOM 0 H CYS A 106 31.092 11.139 17.955 1.00 0.00 H new ATOM 0 HA CYS A 106 30.717 11.640 20.789 1.00 0.00 H new ATOM 0 HB2 CYS A 106 32.547 12.584 19.222 1.00 0.00 H new ATOM 0 HB3 CYS A 106 31.301 13.636 18.582 1.00 0.00 H new ATOM 0 HG CYS A 106 32.811 15.106 20.460 1.00 0.00 H new ATOM 1665 N GLU A 107 28.571 12.881 20.881 1.00 0.00 N ATOM 1666 CA GLU A 107 27.237 13.467 20.955 1.00 0.00 C ATOM 1667 C GLU A 107 27.262 14.779 21.734 1.00 0.00 C ATOM 1668 O GLU A 107 27.843 14.859 22.816 1.00 0.00 O ATOM 1669 CB GLU A 107 26.262 12.488 21.613 1.00 0.00 C ATOM 1670 CG GLU A 107 24.804 12.787 21.311 1.00 0.00 C ATOM 1671 CD GLU A 107 23.894 11.609 21.600 1.00 0.00 C ATOM 1672 OE1 GLU A 107 24.296 10.728 22.389 1.00 0.00 O ATOM 1673 OE2 GLU A 107 22.781 11.567 21.036 1.00 0.00 O ATOM 0 H GLU A 107 28.996 12.683 21.787 1.00 0.00 H new ATOM 0 HA GLU A 107 26.902 13.674 19.939 1.00 0.00 H new ATOM 0 HB2 GLU A 107 26.494 11.477 21.278 1.00 0.00 H new ATOM 0 HB3 GLU A 107 26.412 12.509 22.692 1.00 0.00 H new ATOM 0 HG2 GLU A 107 24.482 13.643 21.904 1.00 0.00 H new ATOM 0 HG3 GLU A 107 24.705 13.069 20.263 1.00 0.00 H new TER 1680 GLU A 107