USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 827 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 68 THR OG1 : rot -51:sc= 1.26 USER MOD Set 1.2: A 70 MET CE :methyl -172:sc= -0.621 (180deg=-0.84) USER MOD Single : A 1 MET CE :methyl -153:sc= 0 (180deg=-0.0339) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 CYS SG : rot 82:sc= 0.708 USER MOD Single : A 10 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.54) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.0647 X(o=-0.065,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.044 X(o=-0.044,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.2) USER MOD Single : A 29 HIS : no HD1:sc= -1.41 X(o=-1.4,f=-1.7) 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 87:sc= 0.982 USER MOD Single : A 39 HIS : no HD1:sc= -0.336 X(o=-0.34,f=-0.014) USER MOD Single : A 43 GLN : amide:sc= -0.155 K(o=-0.16,f=-2!) USER MOD Single : A 44 GLN : amide:sc= -0.577 K(o=-0.58,f=-1.4) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.904 K(o=-0.9,f=-0.094) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -159:sc= -0.0104 (180deg=-0.635) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -38:sc= 0.0458 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.713 USER MOD Single : A 78 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.2!) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -47:sc= 0.777 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 160:sc= -0.0658 (180deg=-0.481) USER MOD Single : A 94 CYS SG : rot -25:sc= -3.16! USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.156 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.603 -1.042 1.092 1.00 0.00 N ATOM 2 CA MET A 1 2.385 -0.774 -0.109 1.00 0.00 C ATOM 3 C MET A 1 1.891 -1.620 -1.279 1.00 0.00 C ATOM 4 O MET A 1 1.907 -2.850 -1.218 1.00 0.00 O ATOM 5 CB MET A 1 3.867 -1.054 0.148 1.00 0.00 C ATOM 6 CG MET A 1 4.801 -0.233 -0.725 1.00 0.00 C ATOM 7 SD MET A 1 4.886 1.495 -0.217 1.00 0.00 S ATOM 8 CE MET A 1 6.107 2.126 -1.366 1.00 0.00 C ATOM 0 H1 MET A 1 1.957 -0.456 1.875 1.00 0.00 H new ATOM 0 H2 MET A 1 0.604 -0.815 0.914 1.00 0.00 H new ATOM 0 H3 MET A 1 1.690 -2.047 1.346 1.00 0.00 H new ATOM 0 HA MET A 1 2.261 0.278 -0.366 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.090 -0.851 1.195 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.063 -2.113 -0.020 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.800 -0.667 -0.690 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.466 -0.287 -1.761 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.618 2.980 -0.921 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.833 1.345 -1.590 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.613 2.438 -2.287 1.00 0.00 H new ATOM 18 N ASP A 2 1.453 -0.954 -2.341 1.00 0.00 N ATOM 19 CA ASP A 2 0.955 -1.645 -3.525 1.00 0.00 C ATOM 20 C ASP A 2 2.110 -2.155 -4.382 1.00 0.00 C ATOM 21 O ASP A 2 3.160 -1.521 -4.466 1.00 0.00 O ATOM 22 CB ASP A 2 0.065 -0.713 -4.349 1.00 0.00 C ATOM 23 CG ASP A 2 0.828 0.473 -4.906 1.00 0.00 C ATOM 24 OD1 ASP A 2 1.572 1.114 -4.135 1.00 0.00 O ATOM 25 OD2 ASP A 2 0.679 0.761 -6.112 1.00 0.00 O ATOM 0 H ASP A 2 1.432 0.064 -2.407 1.00 0.00 H new ATOM 0 HA ASP A 2 0.365 -2.500 -3.195 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.380 -1.273 -5.171 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.755 -0.354 -3.727 1.00 0.00 H new ATOM 30 N ASN A 3 1.906 -3.306 -5.015 1.00 0.00 N ATOM 31 CA ASN A 3 2.931 -3.903 -5.864 1.00 0.00 C ATOM 32 C ASN A 3 3.216 -3.020 -7.075 1.00 0.00 C ATOM 33 O ASN A 3 4.340 -2.977 -7.574 1.00 0.00 O ATOM 34 CB ASN A 3 2.493 -5.294 -6.325 1.00 0.00 C ATOM 35 CG ASN A 3 3.671 -6.191 -6.654 1.00 0.00 C ATOM 36 OD1 ASN A 3 3.961 -6.451 -7.822 1.00 0.00 O ATOM 37 ND2 ASN A 3 4.356 -6.670 -5.622 1.00 0.00 N ATOM 0 H ASN A 3 1.041 -3.843 -4.956 1.00 0.00 H new ATOM 0 HA ASN A 3 3.846 -3.993 -5.279 1.00 0.00 H new ATOM 0 HB2 ASN A 3 1.892 -5.760 -5.544 1.00 0.00 H new ATOM 0 HB3 ASN A 3 1.856 -5.199 -7.204 1.00 0.00 H new ATOM 0 HD21 ASN A 3 5.158 -7.280 -5.781 1.00 0.00 H new ATOM 0 HD22 ASN A 3 4.080 -6.428 -4.670 1.00 0.00 H new ATOM 44 N ARG A 4 2.190 -2.316 -7.542 1.00 0.00 N ATOM 45 CA ARG A 4 2.329 -1.434 -8.694 1.00 0.00 C ATOM 46 C ARG A 4 3.442 -0.414 -8.467 1.00 0.00 C ATOM 47 O ARG A 4 4.319 -0.238 -9.313 1.00 0.00 O ATOM 48 CB ARG A 4 1.010 -0.711 -8.973 1.00 0.00 C ATOM 49 CG ARG A 4 0.079 -1.480 -9.897 1.00 0.00 C ATOM 50 CD ARG A 4 -1.217 -0.721 -10.137 1.00 0.00 C ATOM 51 NE ARG A 4 -1.998 -1.303 -11.227 1.00 0.00 N ATOM 52 CZ ARG A 4 -3.267 -0.993 -11.468 1.00 0.00 C ATOM 53 NH1 ARG A 4 -3.895 -0.113 -10.701 1.00 0.00 N ATOM 54 NH2 ARG A 4 -3.909 -1.565 -12.478 1.00 0.00 N ATOM 0 H ARG A 4 1.253 -2.340 -7.140 1.00 0.00 H new ATOM 0 HA ARG A 4 2.590 -2.045 -9.558 1.00 0.00 H new ATOM 0 HB2 ARG A 4 0.499 -0.526 -8.028 1.00 0.00 H new ATOM 0 HB3 ARG A 4 1.225 0.262 -9.415 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.578 -1.662 -10.849 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -0.144 -2.455 -9.463 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.812 -0.722 -9.224 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -0.990 0.320 -10.369 1.00 0.00 H new ATOM 0 HE ARG A 4 -1.544 -1.984 -11.836 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.404 0.328 -9.923 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.869 0.123 -10.888 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.428 -2.243 -13.069 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.883 -1.327 -12.663 1.00 0.00 H new ATOM 68 N VAL A 5 3.399 0.255 -7.319 1.00 0.00 N ATOM 69 CA VAL A 5 4.402 1.256 -6.980 1.00 0.00 C ATOM 70 C VAL A 5 5.752 0.607 -6.695 1.00 0.00 C ATOM 71 O VAL A 5 6.799 1.139 -7.067 1.00 0.00 O ATOM 72 CB VAL A 5 3.975 2.086 -5.755 1.00 0.00 C ATOM 73 CG1 VAL A 5 5.116 2.980 -5.291 1.00 0.00 C ATOM 74 CG2 VAL A 5 2.738 2.910 -6.075 1.00 0.00 C ATOM 0 H VAL A 5 2.680 0.121 -6.608 1.00 0.00 H new ATOM 0 HA VAL A 5 4.494 1.916 -7.842 1.00 0.00 H new ATOM 0 HB VAL A 5 3.728 1.402 -4.943 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.796 3.559 -4.425 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.973 2.364 -5.019 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.397 3.658 -6.097 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.450 3.490 -5.198 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.955 3.586 -6.902 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.920 2.245 -6.354 1.00 0.00 H new ATOM 84 N ARG A 6 5.721 -0.545 -6.034 1.00 0.00 N ATOM 85 CA ARG A 6 6.942 -1.267 -5.699 1.00 0.00 C ATOM 86 C ARG A 6 7.780 -1.528 -6.947 1.00 0.00 C ATOM 87 O ARG A 6 9.009 -1.499 -6.898 1.00 0.00 O ATOM 88 CB ARG A 6 6.604 -2.592 -5.012 1.00 0.00 C ATOM 89 CG ARG A 6 7.762 -3.182 -4.224 1.00 0.00 C ATOM 90 CD ARG A 6 7.852 -2.578 -2.831 1.00 0.00 C ATOM 91 NE ARG A 6 9.002 -3.086 -2.088 1.00 0.00 N ATOM 92 CZ ARG A 6 9.051 -4.300 -1.549 1.00 0.00 C ATOM 93 NH1 ARG A 6 8.020 -5.125 -1.671 1.00 0.00 N ATOM 94 NH2 ARG A 6 10.132 -4.690 -0.887 1.00 0.00 N ATOM 0 H ARG A 6 4.863 -0.999 -5.720 1.00 0.00 H new ATOM 0 HA ARG A 6 7.524 -0.649 -5.015 1.00 0.00 H new ATOM 0 HB2 ARG A 6 5.759 -2.438 -4.340 1.00 0.00 H new ATOM 0 HB3 ARG A 6 6.285 -3.311 -5.766 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.638 -4.262 -4.146 1.00 0.00 H new ATOM 0 HG3 ARG A 6 8.695 -3.006 -4.759 1.00 0.00 H new ATOM 0 HD2 ARG A 6 7.922 -1.493 -2.910 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.938 -2.799 -2.280 1.00 0.00 H new ATOM 0 HE ARG A 6 9.812 -2.476 -1.977 1.00 0.00 H new ATOM 0 HH11 ARG A 6 7.187 -4.828 -2.179 1.00 0.00 H new ATOM 0 HH12 ARG A 6 8.060 -6.056 -1.256 1.00 0.00 H new ATOM 0 HH21 ARG A 6 10.927 -4.058 -0.791 1.00 0.00 H new ATOM 0 HH22 ARG A 6 10.168 -5.622 -0.474 1.00 0.00 H new ATOM 108 N GLU A 7 7.105 -1.782 -8.064 1.00 0.00 N ATOM 109 CA GLU A 7 7.789 -2.049 -9.324 1.00 0.00 C ATOM 110 C GLU A 7 8.506 -0.800 -9.829 1.00 0.00 C ATOM 111 O GLU A 7 9.625 -0.876 -10.334 1.00 0.00 O ATOM 112 CB GLU A 7 6.792 -2.539 -10.376 1.00 0.00 C ATOM 113 CG GLU A 7 6.842 -4.040 -10.610 1.00 0.00 C ATOM 114 CD GLU A 7 8.237 -4.531 -10.946 1.00 0.00 C ATOM 115 OE1 GLU A 7 8.590 -4.536 -12.144 1.00 0.00 O ATOM 116 OE2 GLU A 7 8.974 -4.911 -10.013 1.00 0.00 O ATOM 0 H GLU A 7 6.087 -1.808 -8.122 1.00 0.00 H new ATOM 0 HA GLU A 7 8.532 -2.827 -9.148 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.784 -2.261 -10.066 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.989 -2.026 -11.318 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.484 -4.555 -9.719 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.164 -4.300 -11.422 1.00 0.00 H new ATOM 123 N ALA A 8 7.851 0.348 -9.690 1.00 0.00 N ATOM 124 CA ALA A 8 8.425 1.613 -10.130 1.00 0.00 C ATOM 125 C ALA A 8 9.751 1.888 -9.428 1.00 0.00 C ATOM 126 O ALA A 8 10.677 2.439 -10.025 1.00 0.00 O ATOM 127 CB ALA A 8 7.448 2.752 -9.881 1.00 0.00 C ATOM 0 H ALA A 8 6.922 0.428 -9.276 1.00 0.00 H new ATOM 0 HA ALA A 8 8.618 1.543 -11.200 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.891 3.691 -10.215 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.527 2.569 -10.434 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.226 2.814 -8.816 1.00 0.00 H new ATOM 133 N CYS A 9 9.834 1.502 -8.160 1.00 0.00 N ATOM 134 CA CYS A 9 11.047 1.709 -7.376 1.00 0.00 C ATOM 135 C CYS A 9 12.232 0.987 -8.008 1.00 0.00 C ATOM 136 O CYS A 9 13.365 1.463 -7.945 1.00 0.00 O ATOM 137 CB CYS A 9 10.841 1.220 -5.942 1.00 0.00 C ATOM 138 SG CYS A 9 12.338 1.255 -4.928 1.00 0.00 S ATOM 0 H CYS A 9 9.077 1.044 -7.653 1.00 0.00 H new ATOM 0 HA CYS A 9 11.263 2.777 -7.360 1.00 0.00 H new ATOM 0 HB2 CYS A 9 10.078 1.836 -5.466 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.457 0.200 -5.969 1.00 0.00 H new ATOM 0 HG CYS A 9 12.522 2.457 -4.467 1.00 0.00 H new ATOM 144 N GLN A 10 11.962 -0.164 -8.615 1.00 0.00 N ATOM 145 CA GLN A 10 13.008 -0.953 -9.256 1.00 0.00 C ATOM 146 C GLN A 10 13.655 -0.174 -10.396 1.00 0.00 C ATOM 147 O GLN A 10 14.877 -0.179 -10.549 1.00 0.00 O ATOM 148 CB GLN A 10 12.433 -2.269 -9.783 1.00 0.00 C ATOM 149 CG GLN A 10 13.492 -3.243 -10.272 1.00 0.00 C ATOM 150 CD GLN A 10 14.468 -3.640 -9.181 1.00 0.00 C ATOM 151 OE1 GLN A 10 14.101 -3.742 -8.011 1.00 0.00 O ATOM 152 NE2 GLN A 10 15.720 -3.865 -9.561 1.00 0.00 N ATOM 0 H GLN A 10 11.029 -0.571 -8.677 1.00 0.00 H new ATOM 0 HA GLN A 10 13.772 -1.172 -8.510 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.852 -2.744 -8.993 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.744 -2.054 -10.600 1.00 0.00 H new ATOM 0 HG2 GLN A 10 13.006 -4.137 -10.662 1.00 0.00 H new ATOM 0 HG3 GLN A 10 14.041 -2.792 -11.099 1.00 0.00 H new ATOM 0 HE21 GLN A 10 15.980 -3.769 -10.543 1.00 0.00 H new ATOM 0 HE22 GLN A 10 16.422 -4.134 -8.871 1.00 0.00 H new ATOM 161 N TYR A 11 12.829 0.493 -11.194 1.00 0.00 N ATOM 162 CA TYR A 11 13.321 1.275 -12.322 1.00 0.00 C ATOM 163 C TYR A 11 14.079 2.508 -11.841 1.00 0.00 C ATOM 164 O TYR A 11 15.187 2.788 -12.301 1.00 0.00 O ATOM 165 CB TYR A 11 12.159 1.697 -13.223 1.00 0.00 C ATOM 166 CG TYR A 11 12.547 2.705 -14.281 1.00 0.00 C ATOM 167 CD1 TYR A 11 13.559 2.430 -15.192 1.00 0.00 C ATOM 168 CD2 TYR A 11 11.901 3.931 -14.370 1.00 0.00 C ATOM 169 CE1 TYR A 11 13.918 3.348 -16.159 1.00 0.00 C ATOM 170 CE2 TYR A 11 12.252 4.855 -15.335 1.00 0.00 C ATOM 171 CZ TYR A 11 13.261 4.559 -16.227 1.00 0.00 C ATOM 172 OH TYR A 11 13.614 5.476 -17.190 1.00 0.00 O ATOM 0 H TYR A 11 11.815 0.508 -11.081 1.00 0.00 H new ATOM 0 HA TYR A 11 14.007 0.649 -12.893 1.00 0.00 H new ATOM 0 HB2 TYR A 11 11.748 0.812 -13.710 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.366 2.118 -12.605 1.00 0.00 H new ATOM 0 HD1 TYR A 11 14.074 1.482 -15.143 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.111 4.166 -13.673 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.709 3.119 -16.858 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.739 5.804 -15.391 1.00 0.00 H new ATOM 0 HH TYR A 11 13.054 6.275 -17.101 1.00 0.00 H new ATOM 182 N ILE A 12 13.475 3.241 -10.912 1.00 0.00 N ATOM 183 CA ILE A 12 14.093 4.443 -10.367 1.00 0.00 C ATOM 184 C ILE A 12 15.405 4.116 -9.662 1.00 0.00 C ATOM 185 O ILE A 12 16.386 4.850 -9.781 1.00 0.00 O ATOM 186 CB ILE A 12 13.156 5.159 -9.376 1.00 0.00 C ATOM 187 CG1 ILE A 12 11.807 5.452 -10.037 1.00 0.00 C ATOM 188 CG2 ILE A 12 13.796 6.444 -8.874 1.00 0.00 C ATOM 189 CD1 ILE A 12 10.750 5.930 -9.067 1.00 0.00 C ATOM 0 H ILE A 12 12.558 3.023 -10.521 1.00 0.00 H new ATOM 0 HA ILE A 12 14.291 5.105 -11.210 1.00 0.00 H new ATOM 0 HB ILE A 12 12.987 4.504 -8.522 1.00 0.00 H new ATOM 0 HG12 ILE A 12 11.947 6.207 -10.810 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.451 4.549 -10.534 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.121 6.938 -8.175 1.00 0.00 H new ATOM 0 HG22 ILE A 12 14.734 6.211 -8.370 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.993 7.106 -9.717 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.821 6.118 -9.605 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.581 5.167 -8.307 1.00 0.00 H new ATOM 0 HD13 ILE A 12 11.085 6.850 -8.588 1.00 0.00 H new ATOM 201 N SER A 13 15.416 3.007 -8.928 1.00 0.00 N ATOM 202 CA SER A 13 16.607 2.582 -8.202 1.00 0.00 C ATOM 203 C SER A 13 17.789 2.409 -9.151 1.00 0.00 C ATOM 204 O SER A 13 18.921 2.762 -8.821 1.00 0.00 O ATOM 205 CB SER A 13 16.337 1.272 -7.461 1.00 0.00 C ATOM 206 OG SER A 13 17.535 0.730 -6.930 1.00 0.00 O ATOM 0 H SER A 13 14.613 2.387 -8.821 1.00 0.00 H new ATOM 0 HA SER A 13 16.857 3.357 -7.477 1.00 0.00 H new ATOM 0 HB2 SER A 13 15.625 1.447 -6.655 1.00 0.00 H new ATOM 0 HB3 SER A 13 15.879 0.554 -8.141 1.00 0.00 H new ATOM 0 HG SER A 13 17.335 -0.106 -6.460 1.00 0.00 H new ATOM 212 N ASP A 14 17.516 1.864 -10.332 1.00 0.00 N ATOM 213 CA ASP A 14 18.556 1.645 -11.330 1.00 0.00 C ATOM 214 C ASP A 14 19.088 2.972 -11.862 1.00 0.00 C ATOM 215 O ASP A 14 20.233 3.060 -12.307 1.00 0.00 O ATOM 216 CB ASP A 14 18.014 0.799 -12.484 1.00 0.00 C ATOM 217 CG ASP A 14 18.183 -0.687 -12.242 1.00 0.00 C ATOM 218 OD1 ASP A 14 18.052 -1.118 -11.076 1.00 0.00 O ATOM 219 OD2 ASP A 14 18.445 -1.421 -13.217 1.00 0.00 O ATOM 0 H ASP A 14 16.584 1.566 -10.621 1.00 0.00 H new ATOM 0 HA ASP A 14 19.377 1.111 -10.852 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.957 1.022 -12.629 1.00 0.00 H new ATOM 0 HB3 ASP A 14 18.528 1.075 -13.405 1.00 0.00 H new ATOM 224 N HIS A 15 18.249 4.002 -11.813 1.00 0.00 N ATOM 225 CA HIS A 15 18.635 5.325 -12.290 1.00 0.00 C ATOM 226 C HIS A 15 18.823 6.290 -11.124 1.00 0.00 C ATOM 227 O HIS A 15 18.822 7.508 -11.305 1.00 0.00 O ATOM 228 CB HIS A 15 17.580 5.871 -13.254 1.00 0.00 C ATOM 229 CG HIS A 15 17.543 5.155 -14.569 1.00 0.00 C ATOM 230 ND1 HIS A 15 17.694 5.798 -15.780 1.00 0.00 N ATOM 231 CD2 HIS A 15 17.373 3.844 -14.859 1.00 0.00 C ATOM 232 CE1 HIS A 15 17.616 4.913 -16.758 1.00 0.00 C ATOM 233 NE2 HIS A 15 17.422 3.720 -16.226 1.00 0.00 N ATOM 0 H HIS A 15 17.298 3.946 -11.448 1.00 0.00 H new ATOM 0 HA HIS A 15 19.584 5.231 -12.817 1.00 0.00 H new ATOM 0 HB2 HIS A 15 16.599 5.801 -12.784 1.00 0.00 H new ATOM 0 HB3 HIS A 15 17.774 6.929 -13.431 1.00 0.00 H new ATOM 0 HD2 HIS A 15 17.226 3.044 -14.148 1.00 0.00 H new ATOM 0 HE1 HIS A 15 17.697 5.129 -17.813 1.00 0.00 H new ATOM 0 HE2 HIS A 15 17.324 2.848 -16.746 1.00 0.00 H new ATOM 241 N LEU A 16 18.983 5.738 -9.926 1.00 0.00 N ATOM 242 CA LEU A 16 19.172 6.550 -8.729 1.00 0.00 C ATOM 243 C LEU A 16 20.372 7.479 -8.884 1.00 0.00 C ATOM 244 O LEU A 16 20.435 8.537 -8.258 1.00 0.00 O ATOM 245 CB LEU A 16 19.363 5.652 -7.505 1.00 0.00 C ATOM 246 CG LEU A 16 19.052 6.289 -6.150 1.00 0.00 C ATOM 247 CD1 LEU A 16 17.550 6.390 -5.939 1.00 0.00 C ATOM 248 CD2 LEU A 16 19.699 5.493 -5.026 1.00 0.00 C ATOM 0 H LEU A 16 18.986 4.732 -9.758 1.00 0.00 H new ATOM 0 HA LEU A 16 18.280 7.160 -8.590 1.00 0.00 H new ATOM 0 HB2 LEU A 16 18.732 4.771 -7.623 1.00 0.00 H new ATOM 0 HB3 LEU A 16 20.396 5.304 -7.492 1.00 0.00 H new ATOM 0 HG LEU A 16 19.467 7.297 -6.140 1.00 0.00 H new ATOM 0 HD11 LEU A 16 17.349 6.846 -4.970 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.112 7.004 -6.726 1.00 0.00 H new ATOM 0 HD13 LEU A 16 17.110 5.393 -5.970 1.00 0.00 H new ATOM 0 HD21 LEU A 16 19.467 5.961 -4.069 1.00 0.00 H new ATOM 0 HD22 LEU A 16 19.314 4.473 -5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 16 20.779 5.474 -5.169 1.00 0.00 H new ATOM 260 N ALA A 17 21.320 7.077 -9.723 1.00 0.00 N ATOM 261 CA ALA A 17 22.516 7.875 -9.964 1.00 0.00 C ATOM 262 C ALA A 17 22.317 8.820 -11.144 1.00 0.00 C ATOM 263 O ALA A 17 23.022 9.821 -11.277 1.00 0.00 O ATOM 264 CB ALA A 17 23.715 6.970 -10.206 1.00 0.00 C ATOM 0 H ALA A 17 21.283 6.203 -10.248 1.00 0.00 H new ATOM 0 HA ALA A 17 22.704 8.479 -9.076 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.601 7.580 -10.385 1.00 0.00 H new ATOM 0 HB2 ALA A 17 23.878 6.340 -9.331 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.526 6.341 -11.076 1.00 0.00 H new ATOM 270 N ASP A 18 21.353 8.496 -11.999 1.00 0.00 N ATOM 271 CA ASP A 18 21.061 9.316 -13.169 1.00 0.00 C ATOM 272 C ASP A 18 20.616 10.715 -12.754 1.00 0.00 C ATOM 273 O ASP A 18 20.015 10.898 -11.696 1.00 0.00 O ATOM 274 CB ASP A 18 19.978 8.656 -14.024 1.00 0.00 C ATOM 275 CG ASP A 18 20.086 9.034 -15.488 1.00 0.00 C ATOM 276 OD1 ASP A 18 21.147 8.769 -16.093 1.00 0.00 O ATOM 277 OD2 ASP A 18 19.110 9.593 -16.030 1.00 0.00 O ATOM 0 H ASP A 18 20.761 7.671 -11.904 1.00 0.00 H new ATOM 0 HA ASP A 18 21.974 9.404 -13.758 1.00 0.00 H new ATOM 0 HB2 ASP A 18 20.051 7.573 -13.925 1.00 0.00 H new ATOM 0 HB3 ASP A 18 18.996 8.945 -13.649 1.00 0.00 H new ATOM 282 N SER A 19 20.918 11.700 -13.595 1.00 0.00 N ATOM 283 CA SER A 19 20.554 13.084 -13.313 1.00 0.00 C ATOM 284 C SER A 19 19.183 13.414 -13.896 1.00 0.00 C ATOM 285 O SER A 19 18.311 13.936 -13.202 1.00 0.00 O ATOM 286 CB SER A 19 21.606 14.036 -13.884 1.00 0.00 C ATOM 287 OG SER A 19 22.780 14.033 -13.090 1.00 0.00 O ATOM 0 H SER A 19 21.413 11.565 -14.476 1.00 0.00 H new ATOM 0 HA SER A 19 20.510 13.210 -12.231 1.00 0.00 H new ATOM 0 HB2 SER A 19 21.852 13.742 -14.904 1.00 0.00 H new ATOM 0 HB3 SER A 19 21.199 15.046 -13.933 1.00 0.00 H new ATOM 0 HG SER A 19 23.438 14.648 -13.477 1.00 0.00 H new ATOM 293 N ASN A 20 19.001 13.106 -15.176 1.00 0.00 N ATOM 294 CA ASN A 20 17.737 13.370 -15.853 1.00 0.00 C ATOM 295 C ASN A 20 16.725 12.264 -15.568 1.00 0.00 C ATOM 296 O ASN A 20 16.837 11.155 -16.091 1.00 0.00 O ATOM 297 CB ASN A 20 17.960 13.496 -17.362 1.00 0.00 C ATOM 298 CG ASN A 20 18.575 14.827 -17.746 1.00 0.00 C ATOM 299 OD1 ASN A 20 19.680 14.880 -18.287 1.00 0.00 O ATOM 300 ND2 ASN A 20 17.861 15.911 -17.467 1.00 0.00 N ATOM 0 H ASN A 20 19.713 12.673 -15.765 1.00 0.00 H new ATOM 0 HA ASN A 20 17.338 14.310 -15.471 1.00 0.00 H new ATOM 0 HB2 ASN A 20 18.609 12.688 -17.699 1.00 0.00 H new ATOM 0 HB3 ASN A 20 17.008 13.376 -17.879 1.00 0.00 H new ATOM 0 HD21 ASN A 20 18.224 16.835 -17.702 1.00 0.00 H new ATOM 0 HD22 ASN A 20 16.950 15.820 -17.018 1.00 0.00 H new ATOM 307 N PHE A 21 15.737 12.574 -14.735 1.00 0.00 N ATOM 308 CA PHE A 21 14.705 11.607 -14.379 1.00 0.00 C ATOM 309 C PHE A 21 13.396 11.919 -15.099 1.00 0.00 C ATOM 310 O PHE A 21 12.957 13.069 -15.141 1.00 0.00 O ATOM 311 CB PHE A 21 14.480 11.603 -12.866 1.00 0.00 C ATOM 312 CG PHE A 21 13.398 10.660 -12.423 1.00 0.00 C ATOM 313 CD1 PHE A 21 13.336 9.371 -12.926 1.00 0.00 C ATOM 314 CD2 PHE A 21 12.442 11.065 -11.506 1.00 0.00 C ATOM 315 CE1 PHE A 21 12.341 8.501 -12.520 1.00 0.00 C ATOM 316 CE2 PHE A 21 11.445 10.199 -11.096 1.00 0.00 C ATOM 317 CZ PHE A 21 11.394 8.916 -11.605 1.00 0.00 C ATOM 0 H PHE A 21 15.629 13.487 -14.294 1.00 0.00 H new ATOM 0 HA PHE A 21 15.044 10.619 -14.691 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.412 11.333 -12.369 1.00 0.00 H new ATOM 0 HB3 PHE A 21 14.226 12.612 -12.542 1.00 0.00 H new ATOM 0 HD1 PHE A 21 14.073 9.042 -13.643 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.476 12.068 -11.107 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.305 7.498 -12.918 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.707 10.526 -10.378 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.615 8.239 -11.288 1.00 0.00 H new ATOM 327 N ASP A 22 12.778 10.888 -15.663 1.00 0.00 N ATOM 328 CA ASP A 22 11.519 11.050 -16.381 1.00 0.00 C ATOM 329 C ASP A 22 10.395 10.289 -15.685 1.00 0.00 C ATOM 330 O ASP A 22 10.449 9.065 -15.555 1.00 0.00 O ATOM 331 CB ASP A 22 11.663 10.566 -17.824 1.00 0.00 C ATOM 332 CG ASP A 22 11.050 11.528 -18.822 1.00 0.00 C ATOM 333 OD1 ASP A 22 9.849 11.377 -19.131 1.00 0.00 O ATOM 334 OD2 ASP A 22 11.770 12.432 -19.295 1.00 0.00 O ATOM 0 H ASP A 22 13.128 9.930 -15.637 1.00 0.00 H new ATOM 0 HA ASP A 22 11.267 12.110 -16.386 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.720 10.432 -18.055 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.188 9.590 -17.926 1.00 0.00 H new ATOM 339 N ILE A 23 9.379 11.020 -15.240 1.00 0.00 N ATOM 340 CA ILE A 23 8.243 10.413 -14.558 1.00 0.00 C ATOM 341 C ILE A 23 7.406 9.576 -15.520 1.00 0.00 C ATOM 342 O ILE A 23 6.783 8.592 -15.123 1.00 0.00 O ATOM 343 CB ILE A 23 7.342 11.479 -13.906 1.00 0.00 C ATOM 344 CG1 ILE A 23 6.314 10.816 -12.987 1.00 0.00 C ATOM 345 CG2 ILE A 23 6.647 12.310 -14.974 1.00 0.00 C ATOM 346 CD1 ILE A 23 6.914 10.247 -11.720 1.00 0.00 C ATOM 0 H ILE A 23 9.319 12.033 -15.339 1.00 0.00 H new ATOM 0 HA ILE A 23 8.651 9.768 -13.780 1.00 0.00 H new ATOM 0 HB ILE A 23 7.965 12.142 -13.305 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.551 11.548 -12.721 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.813 10.017 -13.533 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.014 13.059 -14.498 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.395 12.807 -15.592 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.034 11.660 -15.598 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.128 9.793 -11.117 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.657 9.491 -11.977 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.391 11.046 -11.152 1.00 0.00 H new ATOM 358 N ALA A 24 7.399 9.974 -16.788 1.00 0.00 N ATOM 359 CA ALA A 24 6.643 9.259 -17.809 1.00 0.00 C ATOM 360 C ALA A 24 7.124 7.818 -17.939 1.00 0.00 C ATOM 361 O ALA A 24 6.319 6.893 -18.052 1.00 0.00 O ATOM 362 CB ALA A 24 6.752 9.977 -19.146 1.00 0.00 C ATOM 0 H ALA A 24 7.908 10.788 -17.133 1.00 0.00 H new ATOM 0 HA ALA A 24 5.597 9.239 -17.504 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.183 9.432 -19.899 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.353 10.987 -19.050 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.798 10.027 -19.448 1.00 0.00 H new ATOM 368 N SER A 25 8.440 7.634 -17.924 1.00 0.00 N ATOM 369 CA SER A 25 9.028 6.305 -18.045 1.00 0.00 C ATOM 370 C SER A 25 8.622 5.422 -16.868 1.00 0.00 C ATOM 371 O SER A 25 8.520 4.202 -16.999 1.00 0.00 O ATOM 372 CB SER A 25 10.553 6.404 -18.121 1.00 0.00 C ATOM 373 OG SER A 25 10.965 7.000 -19.338 1.00 0.00 O ATOM 0 H SER A 25 9.120 8.389 -17.829 1.00 0.00 H new ATOM 0 HA SER A 25 8.654 5.851 -18.963 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.925 6.991 -17.281 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.990 5.409 -18.033 1.00 0.00 H new ATOM 0 HG SER A 25 11.943 7.053 -19.361 1.00 0.00 H new ATOM 379 N VAL A 26 8.391 6.049 -15.719 1.00 0.00 N ATOM 380 CA VAL A 26 7.995 5.322 -14.519 1.00 0.00 C ATOM 381 C VAL A 26 6.575 4.782 -14.646 1.00 0.00 C ATOM 382 O VAL A 26 6.280 3.671 -14.206 1.00 0.00 O ATOM 383 CB VAL A 26 8.082 6.215 -13.267 1.00 0.00 C ATOM 384 CG1 VAL A 26 7.733 5.420 -12.018 1.00 0.00 C ATOM 385 CG2 VAL A 26 9.468 6.831 -13.148 1.00 0.00 C ATOM 0 H VAL A 26 8.471 7.058 -15.594 1.00 0.00 H new ATOM 0 HA VAL A 26 8.689 4.489 -14.411 1.00 0.00 H new ATOM 0 HB VAL A 26 7.358 7.023 -13.367 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.800 6.068 -11.144 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.718 5.032 -12.105 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.431 4.590 -11.909 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.512 7.459 -12.258 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.213 6.039 -13.070 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.674 7.437 -14.030 1.00 0.00 H new ATOM 395 N ALA A 27 5.698 5.576 -15.253 1.00 0.00 N ATOM 396 CA ALA A 27 4.309 5.177 -15.441 1.00 0.00 C ATOM 397 C ALA A 27 4.200 4.011 -16.418 1.00 0.00 C ATOM 398 O ALA A 27 3.531 3.017 -16.139 1.00 0.00 O ATOM 399 CB ALA A 27 3.483 6.357 -15.931 1.00 0.00 C ATOM 0 H ALA A 27 5.925 6.499 -15.623 1.00 0.00 H new ATOM 0 HA ALA A 27 3.918 4.848 -14.478 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.448 6.045 -16.067 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.526 7.161 -15.196 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.883 6.712 -16.881 1.00 0.00 H new ATOM 405 N GLN A 28 4.861 4.142 -17.564 1.00 0.00 N ATOM 406 CA GLN A 28 4.837 3.098 -18.582 1.00 0.00 C ATOM 407 C GLN A 28 5.429 1.800 -18.045 1.00 0.00 C ATOM 408 O GLN A 28 4.959 0.709 -18.371 1.00 0.00 O ATOM 409 CB GLN A 28 5.608 3.550 -19.823 1.00 0.00 C ATOM 410 CG GLN A 28 7.070 3.866 -19.550 1.00 0.00 C ATOM 411 CD GLN A 28 7.794 4.387 -20.776 1.00 0.00 C ATOM 412 OE1 GLN A 28 8.807 3.828 -21.197 1.00 0.00 O ATOM 413 NE2 GLN A 28 7.277 5.464 -21.356 1.00 0.00 N ATOM 0 H GLN A 28 5.419 4.960 -17.810 1.00 0.00 H new ATOM 0 HA GLN A 28 3.798 2.915 -18.855 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.549 2.769 -20.581 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.125 4.435 -20.238 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.135 4.606 -18.753 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.571 2.967 -19.192 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.436 5.895 -20.973 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.721 5.860 -22.184 1.00 0.00 H new ATOM 422 N HIS A 29 6.465 1.924 -17.221 1.00 0.00 N ATOM 423 CA HIS A 29 7.122 0.759 -16.639 1.00 0.00 C ATOM 424 C HIS A 29 6.127 -0.088 -15.851 1.00 0.00 C ATOM 425 O HIS A 29 6.226 -1.315 -15.823 1.00 0.00 O ATOM 426 CB HIS A 29 8.270 1.197 -15.729 1.00 0.00 C ATOM 427 CG HIS A 29 8.830 0.086 -14.894 1.00 0.00 C ATOM 428 ND1 HIS A 29 8.972 -1.205 -15.357 1.00 0.00 N ATOM 429 CD2 HIS A 29 9.285 0.080 -13.620 1.00 0.00 C ATOM 430 CE1 HIS A 29 9.489 -1.958 -14.403 1.00 0.00 C ATOM 431 NE2 HIS A 29 9.689 -1.202 -13.338 1.00 0.00 N ATOM 0 H HIS A 29 6.867 2.819 -16.942 1.00 0.00 H new ATOM 0 HA HIS A 29 7.523 0.154 -17.452 1.00 0.00 H new ATOM 0 HB2 HIS A 29 9.068 1.618 -16.341 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.919 1.993 -15.072 1.00 0.00 H new ATOM 0 HD2 HIS A 29 9.323 0.926 -12.950 1.00 0.00 H new ATOM 0 HE1 HIS A 29 9.711 -3.012 -14.480 1.00 0.00 H new ATOM 0 HE2 HIS A 29 10.080 -1.519 -12.451 1.00 0.00 H new ATOM 439 N VAL A 30 5.170 0.575 -15.210 1.00 0.00 N ATOM 440 CA VAL A 30 4.157 -0.117 -14.422 1.00 0.00 C ATOM 441 C VAL A 30 2.870 -0.301 -15.219 1.00 0.00 C ATOM 442 O VAL A 30 1.814 -0.586 -14.654 1.00 0.00 O ATOM 443 CB VAL A 30 3.838 0.647 -13.123 1.00 0.00 C ATOM 444 CG1 VAL A 30 5.089 0.795 -12.270 1.00 0.00 C ATOM 445 CG2 VAL A 30 3.235 2.007 -13.439 1.00 0.00 C ATOM 0 H VAL A 30 5.075 1.590 -15.221 1.00 0.00 H new ATOM 0 HA VAL A 30 4.567 -1.095 -14.169 1.00 0.00 H new ATOM 0 HB VAL A 30 3.105 0.073 -12.555 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.844 1.337 -11.357 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.474 -0.192 -12.014 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.846 1.346 -12.827 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.016 2.533 -12.510 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.942 2.591 -14.028 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.314 1.874 -14.006 1.00 0.00 H new ATOM 455 N CYS A 31 2.967 -0.135 -16.533 1.00 0.00 N ATOM 456 CA CYS A 31 1.810 -0.283 -17.409 1.00 0.00 C ATOM 457 C CYS A 31 0.641 0.562 -16.913 1.00 0.00 C ATOM 458 O CYS A 31 -0.517 0.153 -17.004 1.00 0.00 O ATOM 459 CB CYS A 31 1.393 -1.752 -17.496 1.00 0.00 C ATOM 460 SG CYS A 31 0.460 -2.168 -18.987 1.00 0.00 S ATOM 0 H CYS A 31 3.834 0.102 -17.015 1.00 0.00 H new ATOM 0 HA CYS A 31 2.091 0.066 -18.403 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.286 -2.375 -17.454 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.790 -2.000 -16.622 1.00 0.00 H new ATOM 0 HG CYS A 31 0.155 -3.432 -18.970 1.00 0.00 H new ATOM 466 N LEU A 32 0.952 1.741 -16.386 1.00 0.00 N ATOM 467 CA LEU A 32 -0.073 2.644 -15.873 1.00 0.00 C ATOM 468 C LEU A 32 0.254 4.092 -16.221 1.00 0.00 C ATOM 469 O LEU A 32 1.387 4.416 -16.576 1.00 0.00 O ATOM 470 CB LEU A 32 -0.204 2.489 -14.357 1.00 0.00 C ATOM 471 CG LEU A 32 -1.417 3.164 -13.716 1.00 0.00 C ATOM 472 CD1 LEU A 32 -2.702 2.703 -14.387 1.00 0.00 C ATOM 473 CD2 LEU A 32 -1.461 2.876 -12.223 1.00 0.00 C ATOM 0 H LEU A 32 1.905 2.094 -16.303 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.021 2.382 -16.342 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.239 1.425 -14.122 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.697 2.889 -13.892 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.324 4.241 -13.856 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.554 3.194 -13.917 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.673 2.961 -15.446 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.801 1.623 -14.280 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.331 3.364 -11.784 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.529 1.800 -12.062 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.555 3.257 -11.752 1.00 0.00 H new ATOM 485 N SER A 33 -0.747 4.961 -16.115 1.00 0.00 N ATOM 486 CA SER A 33 -0.566 6.376 -16.420 1.00 0.00 C ATOM 487 C SER A 33 0.210 7.076 -15.309 1.00 0.00 C ATOM 488 O SER A 33 0.294 6.596 -14.178 1.00 0.00 O ATOM 489 CB SER A 33 -1.923 7.054 -16.616 1.00 0.00 C ATOM 490 OG SER A 33 -2.334 6.991 -17.971 1.00 0.00 O ATOM 0 H SER A 33 -1.691 4.710 -15.820 1.00 0.00 H new ATOM 0 HA SER A 33 0.008 6.453 -17.344 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.669 6.572 -15.984 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.862 8.095 -16.299 1.00 0.00 H new ATOM 0 HG SER A 33 -3.205 7.430 -18.069 1.00 0.00 H new ATOM 496 N PRO A 34 0.790 8.240 -15.637 1.00 0.00 N ATOM 497 CA PRO A 34 1.569 9.033 -14.681 1.00 0.00 C ATOM 498 C PRO A 34 0.695 9.661 -13.600 1.00 0.00 C ATOM 499 O PRO A 34 1.082 9.721 -12.433 1.00 0.00 O ATOM 500 CB PRO A 34 2.202 10.119 -15.554 1.00 0.00 C ATOM 501 CG PRO A 34 1.287 10.248 -16.722 1.00 0.00 C ATOM 502 CD PRO A 34 0.730 8.872 -16.965 1.00 0.00 C ATOM 0 HA PRO A 34 2.294 8.424 -14.142 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.288 11.061 -15.013 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.207 9.838 -15.868 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.489 10.961 -16.516 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.822 10.613 -17.599 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.291 8.913 -17.345 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.321 8.323 -17.698 1.00 0.00 H new ATOM 510 N SER A 35 -0.485 10.127 -13.997 1.00 0.00 N ATOM 511 CA SER A 35 -1.413 10.753 -13.062 1.00 0.00 C ATOM 512 C SER A 35 -1.931 9.738 -12.048 1.00 0.00 C ATOM 513 O SER A 35 -1.958 10.003 -10.846 1.00 0.00 O ATOM 514 CB SER A 35 -2.586 11.380 -13.818 1.00 0.00 C ATOM 515 OG SER A 35 -2.141 12.054 -14.983 1.00 0.00 O ATOM 0 H SER A 35 -0.821 10.083 -14.959 1.00 0.00 H new ATOM 0 HA SER A 35 -0.876 11.535 -12.525 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.301 10.605 -14.093 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.110 12.080 -13.167 1.00 0.00 H new ATOM 0 HG SER A 35 -2.910 12.444 -15.449 1.00 0.00 H new ATOM 521 N ARG A 36 -2.341 8.574 -12.543 1.00 0.00 N ATOM 522 CA ARG A 36 -2.860 7.519 -11.681 1.00 0.00 C ATOM 523 C ARG A 36 -1.765 6.976 -10.767 1.00 0.00 C ATOM 524 O ARG A 36 -1.984 6.772 -9.572 1.00 0.00 O ATOM 525 CB ARG A 36 -3.444 6.384 -12.525 1.00 0.00 C ATOM 526 CG ARG A 36 -4.922 6.555 -12.836 1.00 0.00 C ATOM 527 CD ARG A 36 -5.739 5.379 -12.324 1.00 0.00 C ATOM 528 NE ARG A 36 -5.842 4.311 -13.315 1.00 0.00 N ATOM 529 CZ ARG A 36 -6.525 3.189 -13.119 1.00 0.00 C ATOM 530 NH1 ARG A 36 -7.164 2.990 -11.974 1.00 0.00 N ATOM 531 NH2 ARG A 36 -6.571 2.264 -14.069 1.00 0.00 N ATOM 0 H ARG A 36 -2.324 8.338 -13.535 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.649 7.945 -11.061 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.890 6.316 -13.461 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.299 5.440 -12.000 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.286 7.477 -12.383 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.059 6.653 -13.913 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.281 4.988 -11.416 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.738 5.722 -12.055 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.363 4.434 -14.207 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.131 3.699 -11.242 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.688 2.128 -11.826 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.081 2.414 -14.951 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.096 1.403 -13.917 1.00 0.00 H new ATOM 545 N LEU A 37 -0.588 6.743 -11.337 1.00 0.00 N ATOM 546 CA LEU A 37 0.541 6.223 -10.574 1.00 0.00 C ATOM 547 C LEU A 37 1.020 7.243 -9.546 1.00 0.00 C ATOM 548 O LEU A 37 1.291 6.899 -8.396 1.00 0.00 O ATOM 549 CB LEU A 37 1.689 5.851 -11.514 1.00 0.00 C ATOM 550 CG LEU A 37 3.026 5.527 -10.846 1.00 0.00 C ATOM 551 CD1 LEU A 37 2.858 4.408 -9.830 1.00 0.00 C ATOM 552 CD2 LEU A 37 4.067 5.150 -11.890 1.00 0.00 C ATOM 0 H LEU A 37 -0.391 6.906 -12.324 1.00 0.00 H new ATOM 0 HA LEU A 37 0.209 5.330 -10.044 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.383 4.988 -12.105 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.844 6.676 -12.210 1.00 0.00 H new ATOM 0 HG LEU A 37 3.373 6.417 -10.321 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.820 4.191 -9.365 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.146 4.716 -9.064 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.488 3.514 -10.331 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.012 4.923 -11.396 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.727 4.275 -12.443 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.209 5.982 -12.579 1.00 0.00 H new ATOM 564 N SER A 38 1.119 8.499 -9.969 1.00 0.00 N ATOM 565 CA SER A 38 1.567 9.570 -9.085 1.00 0.00 C ATOM 566 C SER A 38 0.640 9.703 -7.881 1.00 0.00 C ATOM 567 O SER A 38 1.090 9.947 -6.761 1.00 0.00 O ATOM 568 CB SER A 38 1.627 10.896 -9.846 1.00 0.00 C ATOM 569 OG SER A 38 2.746 10.936 -10.714 1.00 0.00 O ATOM 0 H SER A 38 0.895 8.800 -10.917 1.00 0.00 H new ATOM 0 HA SER A 38 2.566 9.319 -8.727 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.711 11.030 -10.422 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.682 11.723 -9.138 1.00 0.00 H new ATOM 0 HG SER A 38 2.505 10.540 -11.577 1.00 0.00 H new ATOM 575 N HIS A 39 -0.658 9.540 -8.119 1.00 0.00 N ATOM 576 CA HIS A 39 -1.649 9.642 -7.055 1.00 0.00 C ATOM 577 C HIS A 39 -1.384 8.607 -5.965 1.00 0.00 C ATOM 578 O HIS A 39 -1.361 8.934 -4.777 1.00 0.00 O ATOM 579 CB HIS A 39 -3.057 9.454 -7.621 1.00 0.00 C ATOM 580 CG HIS A 39 -4.143 9.691 -6.617 1.00 0.00 C ATOM 581 ND1 HIS A 39 -4.964 10.799 -6.644 1.00 0.00 N ATOM 582 CD2 HIS A 39 -4.542 8.955 -5.553 1.00 0.00 C ATOM 583 CE1 HIS A 39 -5.820 10.734 -5.640 1.00 0.00 C ATOM 584 NE2 HIS A 39 -5.585 9.625 -4.963 1.00 0.00 N ATOM 0 H HIS A 39 -1.047 9.337 -9.040 1.00 0.00 H new ATOM 0 HA HIS A 39 -1.572 10.636 -6.615 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -3.196 10.134 -8.461 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.150 8.441 -8.012 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.119 8.016 -5.229 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.583 11.464 -5.412 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.096 9.316 -4.136 1.00 0.00 H new ATOM 592 N LEU A 40 -1.186 7.360 -6.376 1.00 0.00 N ATOM 593 CA LEU A 40 -0.923 6.277 -5.434 1.00 0.00 C ATOM 594 C LEU A 40 0.474 6.404 -4.834 1.00 0.00 C ATOM 595 O LEU A 40 0.704 6.027 -3.685 1.00 0.00 O ATOM 596 CB LEU A 40 -1.070 4.923 -6.130 1.00 0.00 C ATOM 597 CG LEU A 40 -2.501 4.469 -6.419 1.00 0.00 C ATOM 598 CD1 LEU A 40 -2.502 3.116 -7.114 1.00 0.00 C ATOM 599 CD2 LEU A 40 -3.312 4.410 -5.132 1.00 0.00 C ATOM 0 H LEU A 40 -1.202 7.073 -7.355 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.652 6.345 -4.627 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.525 4.961 -7.073 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.587 4.165 -5.513 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.965 5.197 -7.085 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.529 2.809 -7.312 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.958 3.190 -8.056 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.020 2.378 -6.474 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.328 4.085 -5.357 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.849 3.704 -4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.340 5.399 -4.674 1.00 0.00 H new ATOM 611 N PHE A 41 1.403 6.939 -5.619 1.00 0.00 N ATOM 612 CA PHE A 41 2.777 7.118 -5.166 1.00 0.00 C ATOM 613 C PHE A 41 2.840 8.090 -3.992 1.00 0.00 C ATOM 614 O PHE A 41 3.447 7.798 -2.961 1.00 0.00 O ATOM 615 CB PHE A 41 3.653 7.626 -6.312 1.00 0.00 C ATOM 616 CG PHE A 41 4.962 6.900 -6.435 1.00 0.00 C ATOM 617 CD1 PHE A 41 6.056 7.282 -5.674 1.00 0.00 C ATOM 618 CD2 PHE A 41 5.099 5.834 -7.310 1.00 0.00 C ATOM 619 CE1 PHE A 41 7.261 6.615 -5.786 1.00 0.00 C ATOM 620 CE2 PHE A 41 6.302 5.163 -7.425 1.00 0.00 C ATOM 621 CZ PHE A 41 7.384 5.554 -6.661 1.00 0.00 C ATOM 0 H PHE A 41 1.229 7.256 -6.573 1.00 0.00 H new ATOM 0 HA PHE A 41 3.152 6.150 -4.834 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.104 7.529 -7.249 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.848 8.688 -6.166 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.966 8.110 -4.986 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.256 5.524 -7.909 1.00 0.00 H new ATOM 0 HE1 PHE A 41 8.107 6.924 -5.189 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.396 4.334 -8.111 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.325 5.031 -6.748 1.00 0.00 H new ATOM 631 N ARG A 42 2.210 9.249 -4.157 1.00 0.00 N ATOM 632 CA ARG A 42 2.196 10.266 -3.112 1.00 0.00 C ATOM 633 C ARG A 42 1.392 9.794 -1.904 1.00 0.00 C ATOM 634 O ARG A 42 1.639 10.223 -0.777 1.00 0.00 O ATOM 635 CB ARG A 42 1.607 11.572 -3.651 1.00 0.00 C ATOM 636 CG ARG A 42 2.591 12.731 -3.645 1.00 0.00 C ATOM 637 CD ARG A 42 1.873 14.070 -3.587 1.00 0.00 C ATOM 638 NE ARG A 42 2.258 14.945 -4.691 1.00 0.00 N ATOM 639 CZ ARG A 42 1.870 16.212 -4.795 1.00 0.00 C ATOM 640 NH1 ARG A 42 1.091 16.748 -3.865 1.00 0.00 N ATOM 641 NH2 ARG A 42 2.263 16.945 -5.829 1.00 0.00 N ATOM 0 H ARG A 42 1.703 9.507 -5.004 1.00 0.00 H new ATOM 0 HA ARG A 42 3.224 10.441 -2.796 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.256 11.409 -4.670 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.736 11.842 -3.053 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.260 12.638 -2.789 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.211 12.688 -4.540 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.796 13.905 -3.614 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.097 14.561 -2.640 1.00 0.00 H new ATOM 0 HE ARG A 42 2.858 14.563 -5.422 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.789 16.188 -3.068 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.794 17.720 -3.947 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.863 16.536 -6.545 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.965 17.917 -5.908 1.00 0.00 H new ATOM 655 N GLN A 43 0.431 8.909 -2.149 1.00 0.00 N ATOM 656 CA GLN A 43 -0.409 8.379 -1.081 1.00 0.00 C ATOM 657 C GLN A 43 0.319 7.285 -0.307 1.00 0.00 C ATOM 658 O GLN A 43 0.212 7.200 0.916 1.00 0.00 O ATOM 659 CB GLN A 43 -1.716 7.831 -1.655 1.00 0.00 C ATOM 660 CG GLN A 43 -2.571 7.101 -0.633 1.00 0.00 C ATOM 661 CD GLN A 43 -4.045 7.113 -0.989 1.00 0.00 C ATOM 662 OE1 GLN A 43 -4.514 7.996 -1.707 1.00 0.00 O ATOM 663 NE2 GLN A 43 -4.783 6.130 -0.487 1.00 0.00 N ATOM 0 H GLN A 43 0.215 8.544 -3.077 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.636 9.194 -0.394 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.292 8.655 -2.076 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.486 7.151 -2.476 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.230 6.069 -0.550 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.434 7.562 0.345 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.352 5.419 0.104 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -5.781 6.086 -0.692 1.00 0.00 H new ATOM 672 N GLN A 44 1.059 6.449 -1.029 1.00 0.00 N ATOM 673 CA GLN A 44 1.803 5.359 -0.410 1.00 0.00 C ATOM 674 C GLN A 44 3.114 5.863 0.184 1.00 0.00 C ATOM 675 O GLN A 44 3.517 5.445 1.270 1.00 0.00 O ATOM 676 CB GLN A 44 2.084 4.258 -1.435 1.00 0.00 C ATOM 677 CG GLN A 44 0.974 3.225 -1.538 1.00 0.00 C ATOM 678 CD GLN A 44 0.651 2.580 -0.205 1.00 0.00 C ATOM 679 OE1 GLN A 44 1.521 2.434 0.654 1.00 0.00 O ATOM 680 NE2 GLN A 44 -0.606 2.191 -0.024 1.00 0.00 N ATOM 0 H GLN A 44 1.159 6.506 -2.042 1.00 0.00 H new ATOM 0 HA GLN A 44 1.194 4.949 0.396 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.236 4.714 -2.413 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.014 3.755 -1.170 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.077 3.700 -1.934 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.267 2.453 -2.249 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.295 2.332 -0.763 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.883 1.752 0.854 1.00 0.00 H new ATOM 689 N LEU A 45 3.776 6.763 -0.535 1.00 0.00 N ATOM 690 CA LEU A 45 5.042 7.325 -0.079 1.00 0.00 C ATOM 691 C LEU A 45 4.811 8.570 0.772 1.00 0.00 C ATOM 692 O LEU A 45 5.700 9.011 1.499 1.00 0.00 O ATOM 693 CB LEU A 45 5.930 7.670 -1.276 1.00 0.00 C ATOM 694 CG LEU A 45 6.626 6.491 -1.956 1.00 0.00 C ATOM 695 CD1 LEU A 45 7.471 5.719 -0.955 1.00 0.00 C ATOM 696 CD2 LEU A 45 5.604 5.575 -2.613 1.00 0.00 C ATOM 0 H LEU A 45 3.457 7.119 -1.436 1.00 0.00 H new ATOM 0 HA LEU A 45 5.543 6.576 0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.320 8.184 -2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.693 8.375 -0.946 1.00 0.00 H new ATOM 0 HG LEU A 45 7.285 6.882 -2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.958 4.884 -1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.228 6.379 -0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.833 5.340 -0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.117 4.741 -3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.919 5.193 -1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.043 6.134 -3.362 1.00 0.00 H new ATOM 708 N GLY A 46 3.609 9.130 0.678 1.00 0.00 N ATOM 709 CA GLY A 46 3.281 10.317 1.446 1.00 0.00 C ATOM 710 C GLY A 46 4.030 11.544 0.964 1.00 0.00 C ATOM 711 O GLY A 46 3.949 12.609 1.577 1.00 0.00 O ATOM 0 H GLY A 46 2.856 8.783 0.084 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.209 10.502 1.383 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.514 10.142 2.496 1.00 0.00 H new ATOM 715 N ILE A 47 4.761 11.396 -0.135 1.00 0.00 N ATOM 716 CA ILE A 47 5.527 12.501 -0.698 1.00 0.00 C ATOM 717 C ILE A 47 5.649 12.370 -2.212 1.00 0.00 C ATOM 718 O ILE A 47 5.203 11.384 -2.799 1.00 0.00 O ATOM 719 CB ILE A 47 6.938 12.577 -0.085 1.00 0.00 C ATOM 720 CG1 ILE A 47 7.766 11.361 -0.505 1.00 0.00 C ATOM 721 CG2 ILE A 47 6.852 12.668 1.431 1.00 0.00 C ATOM 722 CD1 ILE A 47 9.173 11.367 0.051 1.00 0.00 C ATOM 0 H ILE A 47 4.839 10.521 -0.654 1.00 0.00 H new ATOM 0 HA ILE A 47 4.985 13.416 -0.458 1.00 0.00 H new ATOM 0 HB ILE A 47 7.432 13.475 -0.456 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.258 10.454 -0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.814 11.323 -1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.857 12.721 1.850 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.295 13.562 1.711 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.343 11.786 1.820 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.702 10.476 -0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.699 12.256 -0.299 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.134 11.374 1.140 1.00 0.00 H new ATOM 734 N SER A 48 6.257 13.372 -2.840 1.00 0.00 N ATOM 735 CA SER A 48 6.436 13.370 -4.287 1.00 0.00 C ATOM 736 C SER A 48 7.578 12.443 -4.692 1.00 0.00 C ATOM 737 O SER A 48 8.544 12.267 -3.949 1.00 0.00 O ATOM 738 CB SER A 48 6.714 14.788 -4.789 1.00 0.00 C ATOM 739 OG SER A 48 7.898 15.311 -4.213 1.00 0.00 O ATOM 0 H SER A 48 6.634 14.195 -2.369 1.00 0.00 H new ATOM 0 HA SER A 48 5.515 13.004 -4.742 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.807 14.781 -5.875 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.871 15.435 -4.546 1.00 0.00 H new ATOM 0 HG SER A 48 8.054 16.217 -4.552 1.00 0.00 H new ATOM 745 N VAL A 49 7.460 11.851 -5.876 1.00 0.00 N ATOM 746 CA VAL A 49 8.481 10.942 -6.383 1.00 0.00 C ATOM 747 C VAL A 49 9.856 11.602 -6.376 1.00 0.00 C ATOM 748 O VAL A 49 10.862 10.963 -6.067 1.00 0.00 O ATOM 749 CB VAL A 49 8.156 10.472 -7.813 1.00 0.00 C ATOM 750 CG1 VAL A 49 9.147 9.411 -8.265 1.00 0.00 C ATOM 751 CG2 VAL A 49 6.729 9.949 -7.890 1.00 0.00 C ATOM 0 H VAL A 49 6.666 11.985 -6.503 1.00 0.00 H new ATOM 0 HA VAL A 49 8.492 10.077 -5.719 1.00 0.00 H new ATOM 0 HB VAL A 49 8.243 11.325 -8.486 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.901 9.091 -9.278 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.155 9.825 -8.250 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.096 8.555 -7.592 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.516 9.621 -8.907 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.612 9.108 -7.206 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.035 10.742 -7.612 1.00 0.00 H new ATOM 761 N LEU A 50 9.891 12.885 -6.720 1.00 0.00 N ATOM 762 CA LEU A 50 11.143 13.633 -6.753 1.00 0.00 C ATOM 763 C LEU A 50 11.790 13.675 -5.373 1.00 0.00 C ATOM 764 O LEU A 50 13.005 13.533 -5.241 1.00 0.00 O ATOM 765 CB LEU A 50 10.895 15.056 -7.256 1.00 0.00 C ATOM 766 CG LEU A 50 11.966 15.637 -8.181 1.00 0.00 C ATOM 767 CD1 LEU A 50 12.120 14.776 -9.425 1.00 0.00 C ATOM 768 CD2 LEU A 50 11.622 17.070 -8.562 1.00 0.00 C ATOM 0 H LEU A 50 9.068 13.428 -6.980 1.00 0.00 H new ATOM 0 HA LEU A 50 11.823 13.125 -7.436 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.941 15.073 -7.782 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.794 15.713 -6.392 1.00 0.00 H new ATOM 0 HG LEU A 50 12.916 15.642 -7.647 1.00 0.00 H new ATOM 0 HD11 LEU A 50 12.886 15.204 -10.071 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.413 13.767 -9.135 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.172 14.739 -9.961 1.00 0.00 H new ATOM 0 HD21 LEU A 50 12.395 17.467 -9.220 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.662 17.089 -9.077 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.563 17.682 -7.662 1.00 0.00 H new ATOM 780 N SER A 51 10.968 13.868 -4.345 1.00 0.00 N ATOM 781 CA SER A 51 11.461 13.929 -2.974 1.00 0.00 C ATOM 782 C SER A 51 11.867 12.544 -2.480 1.00 0.00 C ATOM 783 O SER A 51 12.897 12.385 -1.824 1.00 0.00 O ATOM 784 CB SER A 51 10.391 14.519 -2.052 1.00 0.00 C ATOM 785 OG SER A 51 10.916 14.775 -0.761 1.00 0.00 O ATOM 0 H SER A 51 9.959 13.985 -4.436 1.00 0.00 H new ATOM 0 HA SER A 51 12.340 14.573 -2.958 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.006 15.444 -2.482 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.551 13.829 -1.976 1.00 0.00 H new ATOM 0 HG SER A 51 10.214 15.153 -0.191 1.00 0.00 H new ATOM 791 N TRP A 52 11.052 11.547 -2.800 1.00 0.00 N ATOM 792 CA TRP A 52 11.325 10.174 -2.389 1.00 0.00 C ATOM 793 C TRP A 52 12.664 9.697 -2.942 1.00 0.00 C ATOM 794 O TRP A 52 13.425 9.019 -2.252 1.00 0.00 O ATOM 795 CB TRP A 52 10.205 9.246 -2.860 1.00 0.00 C ATOM 796 CG TRP A 52 10.527 7.792 -2.690 1.00 0.00 C ATOM 797 CD1 TRP A 52 10.309 7.028 -1.579 1.00 0.00 C ATOM 798 CD2 TRP A 52 11.128 6.928 -3.661 1.00 0.00 C ATOM 799 NE1 TRP A 52 10.737 5.742 -1.801 1.00 0.00 N ATOM 800 CE2 TRP A 52 11.243 5.654 -3.071 1.00 0.00 C ATOM 801 CE3 TRP A 52 11.577 7.106 -4.973 1.00 0.00 C ATOM 802 CZ2 TRP A 52 11.790 4.567 -3.748 1.00 0.00 C ATOM 803 CZ3 TRP A 52 12.120 6.026 -5.643 1.00 0.00 C ATOM 804 CH2 TRP A 52 12.222 4.770 -5.030 1.00 0.00 C ATOM 0 H TRP A 52 10.196 11.662 -3.343 1.00 0.00 H new ATOM 0 HA TRP A 52 11.373 10.150 -1.300 1.00 0.00 H new ATOM 0 HB2 TRP A 52 9.295 9.476 -2.306 1.00 0.00 H new ATOM 0 HB3 TRP A 52 9.997 9.444 -3.911 1.00 0.00 H new ATOM 0 HD1 TRP A 52 9.865 7.383 -0.661 1.00 0.00 H new ATOM 0 HE1 TRP A 52 10.686 4.976 -1.129 1.00 0.00 H new ATOM 0 HE3 TRP A 52 11.501 8.070 -5.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 11.870 3.598 -3.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 12.472 6.152 -6.656 1.00 0.00 H new ATOM 0 HH2 TRP A 52 12.650 3.946 -5.581 1.00 0.00 H new ATOM 815 N ARG A 53 12.945 10.056 -4.191 1.00 0.00 N ATOM 816 CA ARG A 53 14.192 9.663 -4.836 1.00 0.00 C ATOM 817 C ARG A 53 15.396 10.166 -4.045 1.00 0.00 C ATOM 818 O ARG A 53 16.344 9.421 -3.798 1.00 0.00 O ATOM 819 CB ARG A 53 14.245 10.205 -6.265 1.00 0.00 C ATOM 820 CG ARG A 53 15.139 9.397 -7.191 1.00 0.00 C ATOM 821 CD ARG A 53 15.590 10.220 -8.388 1.00 0.00 C ATOM 822 NE ARG A 53 16.323 11.416 -7.984 1.00 0.00 N ATOM 823 CZ ARG A 53 16.732 12.350 -8.836 1.00 0.00 C ATOM 824 NH1 ARG A 53 16.480 12.226 -10.131 1.00 0.00 N ATOM 825 NH2 ARG A 53 17.394 13.411 -8.392 1.00 0.00 N ATOM 0 H ARG A 53 12.326 10.618 -4.776 1.00 0.00 H new ATOM 0 HA ARG A 53 14.228 8.574 -4.866 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.235 10.224 -6.675 1.00 0.00 H new ATOM 0 HB3 ARG A 53 14.599 11.236 -6.241 1.00 0.00 H new ATOM 0 HG2 ARG A 53 16.011 9.045 -6.641 1.00 0.00 H new ATOM 0 HG3 ARG A 53 14.603 8.513 -7.537 1.00 0.00 H new ATOM 0 HD2 ARG A 53 16.222 9.608 -9.032 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.720 10.510 -8.977 1.00 0.00 H new ATOM 0 HE ARG A 53 16.533 11.542 -6.994 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.971 11.412 -10.476 1.00 0.00 H new ATOM 0 HH12 ARG A 53 16.795 12.944 -10.783 1.00 0.00 H new ATOM 0 HH21 ARG A 53 17.589 13.510 -7.396 1.00 0.00 H new ATOM 0 HH22 ARG A 53 17.708 14.127 -9.047 1.00 0.00 H new ATOM 839 N GLU A 54 15.350 11.435 -3.651 1.00 0.00 N ATOM 840 CA GLU A 54 16.438 12.038 -2.889 1.00 0.00 C ATOM 841 C GLU A 54 16.560 11.393 -1.512 1.00 0.00 C ATOM 842 O GLU A 54 17.661 11.087 -1.053 1.00 0.00 O ATOM 843 CB GLU A 54 16.212 13.544 -2.741 1.00 0.00 C ATOM 844 CG GLU A 54 17.455 14.306 -2.312 1.00 0.00 C ATOM 845 CD GLU A 54 17.419 15.763 -2.730 1.00 0.00 C ATOM 846 OE1 GLU A 54 17.686 16.048 -3.916 1.00 0.00 O ATOM 847 OE2 GLU A 54 17.124 16.619 -1.869 1.00 0.00 O ATOM 0 H GLU A 54 14.572 12.065 -3.847 1.00 0.00 H new ATOM 0 HA GLU A 54 17.367 11.869 -3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 54 15.860 13.945 -3.691 1.00 0.00 H new ATOM 0 HB3 GLU A 54 15.421 13.714 -2.010 1.00 0.00 H new ATOM 0 HG2 GLU A 54 17.558 14.245 -1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 54 18.336 13.830 -2.743 1.00 0.00 H new ATOM 854 N ASP A 55 15.422 11.189 -0.858 1.00 0.00 N ATOM 855 CA ASP A 55 15.400 10.579 0.467 1.00 0.00 C ATOM 856 C ASP A 55 15.929 9.149 0.416 1.00 0.00 C ATOM 857 O ASP A 55 16.621 8.701 1.329 1.00 0.00 O ATOM 858 CB ASP A 55 13.980 10.592 1.034 1.00 0.00 C ATOM 859 CG ASP A 55 13.890 11.334 2.353 1.00 0.00 C ATOM 860 OD1 ASP A 55 14.626 10.966 3.292 1.00 0.00 O ATOM 861 OD2 ASP A 55 13.082 12.282 2.447 1.00 0.00 O ATOM 0 H ASP A 55 14.503 11.437 -1.223 1.00 0.00 H new ATOM 0 HA ASP A 55 16.048 11.163 1.120 1.00 0.00 H new ATOM 0 HB2 ASP A 55 13.308 11.057 0.312 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.638 9.566 1.173 1.00 0.00 H new ATOM 866 N GLN A 56 15.595 8.439 -0.657 1.00 0.00 N ATOM 867 CA GLN A 56 16.035 7.058 -0.825 1.00 0.00 C ATOM 868 C GLN A 56 17.557 6.970 -0.838 1.00 0.00 C ATOM 869 O GLN A 56 18.140 6.058 -0.250 1.00 0.00 O ATOM 870 CB GLN A 56 15.467 6.475 -2.120 1.00 0.00 C ATOM 871 CG GLN A 56 15.055 5.016 -2.000 1.00 0.00 C ATOM 872 CD GLN A 56 15.496 4.186 -3.189 1.00 0.00 C ATOM 873 OE1 GLN A 56 16.086 3.117 -3.030 1.00 0.00 O ATOM 874 NE2 GLN A 56 15.211 4.674 -4.391 1.00 0.00 N ATOM 0 H GLN A 56 15.022 8.796 -1.422 1.00 0.00 H new ATOM 0 HA GLN A 56 15.663 6.478 0.020 1.00 0.00 H new ATOM 0 HB2 GLN A 56 14.602 7.064 -2.426 1.00 0.00 H new ATOM 0 HB3 GLN A 56 16.213 6.570 -2.909 1.00 0.00 H new ATOM 0 HG2 GLN A 56 15.482 4.595 -1.090 1.00 0.00 H new ATOM 0 HG3 GLN A 56 13.971 4.955 -1.901 1.00 0.00 H new ATOM 0 HE21 GLN A 56 14.720 5.564 -4.477 1.00 0.00 H new ATOM 0 HE22 GLN A 56 15.483 4.159 -5.228 1.00 0.00 H new ATOM 883 N ARG A 57 18.195 7.922 -1.511 1.00 0.00 N ATOM 884 CA ARG A 57 19.650 7.950 -1.601 1.00 0.00 C ATOM 885 C ARG A 57 20.279 8.013 -0.213 1.00 0.00 C ATOM 886 O ARG A 57 21.217 7.274 0.089 1.00 0.00 O ATOM 887 CB ARG A 57 20.107 9.148 -2.436 1.00 0.00 C ATOM 888 CG ARG A 57 19.536 9.162 -3.844 1.00 0.00 C ATOM 889 CD ARG A 57 19.435 10.578 -4.390 1.00 0.00 C ATOM 890 NE ARG A 57 20.622 10.958 -5.151 1.00 0.00 N ATOM 891 CZ ARG A 57 20.656 11.981 -5.997 1.00 0.00 C ATOM 892 NH1 ARG A 57 19.574 12.723 -6.189 1.00 0.00 N ATOM 893 NH2 ARG A 57 21.774 12.264 -6.654 1.00 0.00 N ATOM 0 H ARG A 57 17.727 8.684 -2.002 1.00 0.00 H new ATOM 0 HA ARG A 57 19.977 7.031 -2.087 1.00 0.00 H new ATOM 0 HB2 ARG A 57 19.817 10.067 -1.926 1.00 0.00 H new ATOM 0 HB3 ARG A 57 21.195 9.145 -2.494 1.00 0.00 H new ATOM 0 HG2 ARG A 57 20.167 8.562 -4.500 1.00 0.00 H new ATOM 0 HG3 ARG A 57 18.549 8.700 -3.842 1.00 0.00 H new ATOM 0 HD2 ARG A 57 18.555 10.658 -5.028 1.00 0.00 H new ATOM 0 HD3 ARG A 57 19.295 11.276 -3.564 1.00 0.00 H new ATOM 0 HE ARG A 57 21.472 10.407 -5.026 1.00 0.00 H new ATOM 0 HH11 ARG A 57 18.713 12.509 -5.686 1.00 0.00 H new ATOM 0 HH12 ARG A 57 19.603 13.508 -6.839 1.00 0.00 H new ATOM 0 HH21 ARG A 57 22.608 11.695 -6.509 1.00 0.00 H new ATOM 0 HH22 ARG A 57 21.799 13.050 -7.304 1.00 0.00 H new ATOM 907 N ILE A 58 19.759 8.901 0.627 1.00 0.00 N ATOM 908 CA ILE A 58 20.270 9.061 1.983 1.00 0.00 C ATOM 909 C ILE A 58 20.097 7.778 2.790 1.00 0.00 C ATOM 910 O ILE A 58 21.016 7.340 3.482 1.00 0.00 O ATOM 911 CB ILE A 58 19.564 10.215 2.718 1.00 0.00 C ATOM 912 CG1 ILE A 58 19.693 11.513 1.918 1.00 0.00 C ATOM 913 CG2 ILE A 58 20.145 10.387 4.114 1.00 0.00 C ATOM 914 CD1 ILE A 58 21.125 11.961 1.721 1.00 0.00 C ATOM 0 H ILE A 58 18.984 9.521 0.393 1.00 0.00 H new ATOM 0 HA ILE A 58 21.331 9.293 1.895 1.00 0.00 H new ATOM 0 HB ILE A 58 18.506 9.973 2.813 1.00 0.00 H new ATOM 0 HG12 ILE A 58 19.226 11.377 0.943 1.00 0.00 H new ATOM 0 HG13 ILE A 58 19.141 12.302 2.429 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.636 11.206 4.622 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.007 9.467 4.682 1.00 0.00 H new ATOM 0 HG23 ILE A 58 21.209 10.611 4.040 1.00 0.00 H new ATOM 0 HD11 ILE A 58 21.141 12.887 1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 58 21.591 12.129 2.692 1.00 0.00 H new ATOM 0 HD13 ILE A 58 21.677 11.190 1.183 1.00 0.00 H new ATOM 926 N SER A 59 18.914 7.180 2.694 1.00 0.00 N ATOM 927 CA SER A 59 18.620 5.948 3.416 1.00 0.00 C ATOM 928 C SER A 59 19.550 4.823 2.972 1.00 0.00 C ATOM 929 O SER A 59 19.975 4.000 3.782 1.00 0.00 O ATOM 930 CB SER A 59 17.163 5.538 3.195 1.00 0.00 C ATOM 931 OG SER A 59 16.845 4.368 3.929 1.00 0.00 O ATOM 0 H SER A 59 18.144 7.529 2.123 1.00 0.00 H new ATOM 0 HA SER A 59 18.781 6.131 4.478 1.00 0.00 H new ATOM 0 HB2 SER A 59 16.503 6.351 3.497 1.00 0.00 H new ATOM 0 HB3 SER A 59 16.988 5.364 2.133 1.00 0.00 H new ATOM 0 HG SER A 59 15.908 4.128 3.772 1.00 0.00 H new ATOM 937 N GLN A 60 19.860 4.795 1.680 1.00 0.00 N ATOM 938 CA GLN A 60 20.739 3.770 1.128 1.00 0.00 C ATOM 939 C GLN A 60 22.180 3.991 1.574 1.00 0.00 C ATOM 940 O GLN A 60 22.906 3.038 1.855 1.00 0.00 O ATOM 941 CB GLN A 60 20.660 3.770 -0.400 1.00 0.00 C ATOM 942 CG GLN A 60 21.007 2.430 -1.027 1.00 0.00 C ATOM 943 CD GLN A 60 19.801 1.521 -1.167 1.00 0.00 C ATOM 944 OE1 GLN A 60 18.922 1.761 -1.995 1.00 0.00 O ATOM 945 NE2 GLN A 60 19.754 0.471 -0.356 1.00 0.00 N ATOM 0 H GLN A 60 19.516 5.469 0.996 1.00 0.00 H new ATOM 0 HA GLN A 60 20.407 2.802 1.502 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.652 4.054 -0.703 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.336 4.530 -0.790 1.00 0.00 H new ATOM 0 HG2 GLN A 60 21.448 2.596 -2.010 1.00 0.00 H new ATOM 0 HG3 GLN A 60 21.763 1.933 -0.419 1.00 0.00 H new ATOM 0 HE21 GLN A 60 20.505 0.311 0.315 1.00 0.00 H new ATOM 0 HE22 GLN A 60 18.967 -0.176 -0.404 1.00 0.00 H new ATOM 954 N ALA A 61 22.588 5.255 1.637 1.00 0.00 N ATOM 955 CA ALA A 61 23.942 5.601 2.051 1.00 0.00 C ATOM 956 C ALA A 61 24.256 5.035 3.431 1.00 0.00 C ATOM 957 O ALA A 61 25.382 4.615 3.701 1.00 0.00 O ATOM 958 CB ALA A 61 24.127 7.111 2.043 1.00 0.00 C ATOM 0 H ALA A 61 22.000 6.056 1.407 1.00 0.00 H new ATOM 0 HA ALA A 61 24.637 5.157 1.339 1.00 0.00 H new ATOM 0 HB1 ALA A 61 25.143 7.355 2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 61 23.954 7.493 1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 61 23.417 7.568 2.732 1.00 0.00 H new ATOM 964 N LYS A 62 23.254 5.026 4.304 1.00 0.00 N ATOM 965 CA LYS A 62 23.422 4.511 5.658 1.00 0.00 C ATOM 966 C LYS A 62 23.591 2.995 5.646 1.00 0.00 C ATOM 967 O LYS A 62 24.414 2.446 6.379 1.00 0.00 O ATOM 968 CB LYS A 62 22.220 4.895 6.524 1.00 0.00 C ATOM 969 CG LYS A 62 22.062 6.393 6.716 1.00 0.00 C ATOM 970 CD LYS A 62 20.609 6.776 6.939 1.00 0.00 C ATOM 971 CE LYS A 62 20.252 6.774 8.418 1.00 0.00 C ATOM 972 NZ LYS A 62 20.183 5.392 8.969 1.00 0.00 N ATOM 0 H LYS A 62 22.316 5.370 4.098 1.00 0.00 H new ATOM 0 HA LYS A 62 24.323 4.956 6.081 1.00 0.00 H new ATOM 0 HB2 LYS A 62 21.313 4.498 6.068 1.00 0.00 H new ATOM 0 HB3 LYS A 62 22.320 4.421 7.500 1.00 0.00 H new ATOM 0 HG2 LYS A 62 22.659 6.717 7.568 1.00 0.00 H new ATOM 0 HG3 LYS A 62 22.447 6.916 5.840 1.00 0.00 H new ATOM 0 HD2 LYS A 62 20.424 7.765 6.520 1.00 0.00 H new ATOM 0 HD3 LYS A 62 19.962 6.079 6.407 1.00 0.00 H new ATOM 0 HE2 LYS A 62 20.994 7.349 8.972 1.00 0.00 H new ATOM 0 HE3 LYS A 62 19.292 7.270 8.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 19.611 5.393 9.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 19.746 4.760 8.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 21.143 5.057 9.187 1.00 0.00 H new ATOM 986 N LEU A 63 22.807 2.324 4.809 1.00 0.00 N ATOM 987 CA LEU A 63 22.871 0.871 4.701 1.00 0.00 C ATOM 988 C LEU A 63 24.272 0.415 4.303 1.00 0.00 C ATOM 989 O LEU A 63 24.842 -0.485 4.920 1.00 0.00 O ATOM 990 CB LEU A 63 21.850 0.370 3.678 1.00 0.00 C ATOM 991 CG LEU A 63 21.160 -0.953 4.010 1.00 0.00 C ATOM 992 CD1 LEU A 63 22.189 -2.055 4.214 1.00 0.00 C ATOM 993 CD2 LEU A 63 20.284 -0.803 5.245 1.00 0.00 C ATOM 0 H LEU A 63 22.120 2.763 4.196 1.00 0.00 H new ATOM 0 HA LEU A 63 22.635 0.449 5.678 1.00 0.00 H new ATOM 0 HB2 LEU A 63 21.084 1.135 3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 63 22.352 0.264 2.716 1.00 0.00 H new ATOM 0 HG LEU A 63 20.523 -1.230 3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 63 21.680 -2.989 4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 63 22.774 -2.180 3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 63 22.852 -1.786 5.036 1.00 0.00 H new ATOM 0 HD21 LEU A 63 19.801 -1.755 5.466 1.00 0.00 H new ATOM 0 HD22 LEU A 63 20.899 -0.503 6.093 1.00 0.00 H new ATOM 0 HD23 LEU A 63 19.523 -0.044 5.062 1.00 0.00 H new ATOM 1005 N LEU A 64 24.821 1.044 3.270 1.00 0.00 N ATOM 1006 CA LEU A 64 26.157 0.706 2.791 1.00 0.00 C ATOM 1007 C LEU A 64 27.219 1.113 3.806 1.00 0.00 C ATOM 1008 O LEU A 64 28.193 0.391 4.026 1.00 0.00 O ATOM 1009 CB LEU A 64 26.428 1.391 1.450 1.00 0.00 C ATOM 1010 CG LEU A 64 25.325 1.267 0.398 1.00 0.00 C ATOM 1011 CD1 LEU A 64 24.957 2.635 -0.153 1.00 0.00 C ATOM 1012 CD2 LEU A 64 25.761 0.337 -0.725 1.00 0.00 C ATOM 0 H LEU A 64 24.362 1.791 2.748 1.00 0.00 H new ATOM 0 HA LEU A 64 26.205 -0.375 2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 64 26.608 2.450 1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 64 27.347 0.979 1.034 1.00 0.00 H new ATOM 0 HG LEU A 64 24.442 0.840 0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 64 24.171 2.527 -0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 64 24.602 3.270 0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 64 25.834 3.090 -0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 64 24.964 0.261 -1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 64 26.659 0.735 -1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 64 25.973 -0.651 -0.317 1.00 0.00 H new ATOM 1024 N LEU A 65 27.025 2.272 4.425 1.00 0.00 N ATOM 1025 CA LEU A 65 27.966 2.775 5.421 1.00 0.00 C ATOM 1026 C LEU A 65 27.947 1.907 6.675 1.00 0.00 C ATOM 1027 O LEU A 65 28.928 1.848 7.416 1.00 0.00 O ATOM 1028 CB LEU A 65 27.630 4.223 5.783 1.00 0.00 C ATOM 1029 CG LEU A 65 28.347 5.302 4.970 1.00 0.00 C ATOM 1030 CD1 LEU A 65 27.792 6.678 5.304 1.00 0.00 C ATOM 1031 CD2 LEU A 65 29.846 5.252 5.224 1.00 0.00 C ATOM 0 H LEU A 65 26.225 2.882 4.255 1.00 0.00 H new ATOM 0 HA LEU A 65 28.967 2.738 4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 65 26.555 4.365 5.669 1.00 0.00 H new ATOM 0 HB3 LEU A 65 27.862 4.376 6.837 1.00 0.00 H new ATOM 0 HG LEU A 65 28.172 5.110 3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 65 28.314 7.433 4.716 1.00 0.00 H new ATOM 0 HD12 LEU A 65 26.728 6.708 5.070 1.00 0.00 H new ATOM 0 HD13 LEU A 65 27.936 6.881 6.365 1.00 0.00 H new ATOM 0 HD21 LEU A 65 30.340 6.026 4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 65 30.041 5.419 6.283 1.00 0.00 H new ATOM 0 HD23 LEU A 65 30.232 4.275 4.933 1.00 0.00 H new ATOM 1043 N SER A 66 26.824 1.234 6.906 1.00 0.00 N ATOM 1044 CA SER A 66 26.677 0.371 8.072 1.00 0.00 C ATOM 1045 C SER A 66 27.116 -1.055 7.751 1.00 0.00 C ATOM 1046 O SER A 66 27.538 -1.802 8.635 1.00 0.00 O ATOM 1047 CB SER A 66 25.225 0.372 8.554 1.00 0.00 C ATOM 1048 OG SER A 66 24.889 -0.861 9.164 1.00 0.00 O ATOM 0 H SER A 66 26.003 1.270 6.301 1.00 0.00 H new ATOM 0 HA SER A 66 27.316 0.761 8.864 1.00 0.00 H new ATOM 0 HB2 SER A 66 25.075 1.185 9.264 1.00 0.00 H new ATOM 0 HB3 SER A 66 24.559 0.558 7.711 1.00 0.00 H new ATOM 0 HG SER A 66 23.957 -0.834 9.465 1.00 0.00 H new ATOM 1054 N THR A 67 27.015 -1.426 6.478 1.00 0.00 N ATOM 1055 CA THR A 67 27.400 -2.761 6.039 1.00 0.00 C ATOM 1056 C THR A 67 28.836 -2.779 5.527 1.00 0.00 C ATOM 1057 O THR A 67 29.424 -3.843 5.329 1.00 0.00 O ATOM 1058 CB THR A 67 26.466 -3.279 4.929 1.00 0.00 C ATOM 1059 OG1 THR A 67 26.560 -4.705 4.835 1.00 0.00 O ATOM 1060 CG2 THR A 67 26.818 -2.652 3.589 1.00 0.00 C ATOM 0 H THR A 67 26.670 -0.820 5.733 1.00 0.00 H new ATOM 0 HA THR A 67 27.318 -3.414 6.908 1.00 0.00 H new ATOM 0 HB THR A 67 25.444 -2.999 5.185 1.00 0.00 H new ATOM 0 HG1 THR A 67 27.491 -4.981 4.968 1.00 0.00 H new ATOM 0 HG21 THR A 67 26.145 -3.033 2.821 1.00 0.00 H new ATOM 0 HG22 THR A 67 26.716 -1.569 3.656 1.00 0.00 H new ATOM 0 HG23 THR A 67 27.846 -2.904 3.328 1.00 0.00 H new ATOM 1068 N THR A 68 29.398 -1.593 5.314 1.00 0.00 N ATOM 1069 CA THR A 68 30.766 -1.472 4.825 1.00 0.00 C ATOM 1070 C THR A 68 31.552 -0.449 5.637 1.00 0.00 C ATOM 1071 O THR A 68 30.995 0.237 6.494 1.00 0.00 O ATOM 1072 CB THR A 68 30.797 -1.065 3.340 1.00 0.00 C ATOM 1073 OG1 THR A 68 30.632 0.352 3.216 1.00 0.00 O ATOM 1074 CG2 THR A 68 29.702 -1.778 2.560 1.00 0.00 C ATOM 0 H THR A 68 28.927 -0.702 5.473 1.00 0.00 H new ATOM 0 HA THR A 68 31.229 -2.452 4.936 1.00 0.00 H new ATOM 0 HB THR A 68 31.763 -1.355 2.927 1.00 0.00 H new ATOM 0 HG1 THR A 68 29.846 0.636 3.728 1.00 0.00 H new ATOM 0 HG21 THR A 68 29.744 -1.475 1.514 1.00 0.00 H new ATOM 0 HG22 THR A 68 29.847 -2.856 2.631 1.00 0.00 H new ATOM 0 HG23 THR A 68 28.729 -1.515 2.975 1.00 0.00 H new ATOM 1082 N ARG A 69 32.848 -0.352 5.361 1.00 0.00 N ATOM 1083 CA ARG A 69 33.711 0.588 6.067 1.00 0.00 C ATOM 1084 C ARG A 69 34.341 1.583 5.097 1.00 0.00 C ATOM 1085 O ARG A 69 35.338 2.229 5.416 1.00 0.00 O ATOM 1086 CB ARG A 69 34.807 -0.164 6.826 1.00 0.00 C ATOM 1087 CG ARG A 69 35.755 -0.934 5.921 1.00 0.00 C ATOM 1088 CD ARG A 69 35.260 -2.350 5.671 1.00 0.00 C ATOM 1089 NE ARG A 69 35.855 -3.309 6.597 1.00 0.00 N ATOM 1090 CZ ARG A 69 35.475 -4.579 6.685 1.00 0.00 C ATOM 1091 NH1 ARG A 69 34.506 -5.039 5.905 1.00 0.00 N ATOM 1092 NH2 ARG A 69 36.064 -5.391 7.553 1.00 0.00 N ATOM 0 H ARG A 69 33.324 -0.912 4.654 1.00 0.00 H new ATOM 0 HA ARG A 69 33.098 1.140 6.779 1.00 0.00 H new ATOM 0 HB2 ARG A 69 35.382 0.548 7.418 1.00 0.00 H new ATOM 0 HB3 ARG A 69 34.342 -0.858 7.526 1.00 0.00 H new ATOM 0 HG2 ARG A 69 35.858 -0.410 4.971 1.00 0.00 H new ATOM 0 HG3 ARG A 69 36.745 -0.968 6.375 1.00 0.00 H new ATOM 0 HD2 ARG A 69 34.175 -2.377 5.769 1.00 0.00 H new ATOM 0 HD3 ARG A 69 35.495 -2.641 4.647 1.00 0.00 H new ATOM 0 HE ARG A 69 36.604 -2.986 7.210 1.00 0.00 H new ATOM 0 HH11 ARG A 69 34.051 -4.417 5.236 1.00 0.00 H new ATOM 0 HH12 ARG A 69 34.216 -6.014 5.974 1.00 0.00 H new ATOM 0 HH21 ARG A 69 36.810 -5.041 8.154 1.00 0.00 H new ATOM 0 HH22 ARG A 69 35.771 -6.366 7.619 1.00 0.00 H new ATOM 1106 N MET A 70 33.751 1.699 3.911 1.00 0.00 N ATOM 1107 CA MET A 70 34.254 2.615 2.895 1.00 0.00 C ATOM 1108 C MET A 70 34.200 4.058 3.388 1.00 0.00 C ATOM 1109 O MET A 70 33.416 4.408 4.271 1.00 0.00 O ATOM 1110 CB MET A 70 33.444 2.474 1.605 1.00 0.00 C ATOM 1111 CG MET A 70 33.720 1.182 0.852 1.00 0.00 C ATOM 1112 SD MET A 70 32.722 1.022 -0.641 1.00 0.00 S ATOM 1113 CE MET A 70 31.101 0.736 0.064 1.00 0.00 C ATOM 0 H MET A 70 32.925 1.170 3.631 1.00 0.00 H new ATOM 0 HA MET A 70 35.294 2.358 2.693 1.00 0.00 H new ATOM 0 HB2 MET A 70 32.382 2.525 1.845 1.00 0.00 H new ATOM 0 HB3 MET A 70 33.665 3.319 0.953 1.00 0.00 H new ATOM 0 HG2 MET A 70 34.776 1.140 0.585 1.00 0.00 H new ATOM 0 HG3 MET A 70 33.523 0.334 1.508 1.00 0.00 H new ATOM 0 HE1 MET A 70 30.400 0.476 -0.729 1.00 0.00 H new ATOM 0 HE2 MET A 70 31.156 -0.082 0.782 1.00 0.00 H new ATOM 0 HE3 MET A 70 30.759 1.640 0.569 1.00 0.00 H new ATOM 1123 N PRO A 71 35.051 4.916 2.806 1.00 0.00 N ATOM 1124 CA PRO A 71 35.118 6.334 3.171 1.00 0.00 C ATOM 1125 C PRO A 71 33.880 7.106 2.726 1.00 0.00 C ATOM 1126 O PRO A 71 33.086 6.615 1.924 1.00 0.00 O ATOM 1127 CB PRO A 71 36.357 6.834 2.426 1.00 0.00 C ATOM 1128 CG PRO A 71 36.503 5.907 1.269 1.00 0.00 C ATOM 1129 CD PRO A 71 36.012 4.568 1.747 1.00 0.00 C ATOM 0 HA PRO A 71 35.168 6.475 4.251 1.00 0.00 H new ATOM 0 HB2 PRO A 71 36.230 7.864 2.094 1.00 0.00 H new ATOM 0 HB3 PRO A 71 37.239 6.811 3.065 1.00 0.00 H new ATOM 0 HG2 PRO A 71 35.921 6.254 0.415 1.00 0.00 H new ATOM 0 HG3 PRO A 71 37.542 5.849 0.944 1.00 0.00 H new ATOM 0 HD2 PRO A 71 35.538 4.004 0.944 1.00 0.00 H new ATOM 0 HD3 PRO A 71 36.827 3.954 2.130 1.00 0.00 H new ATOM 1137 N ILE A 72 33.724 8.317 3.251 1.00 0.00 N ATOM 1138 CA ILE A 72 32.584 9.157 2.905 1.00 0.00 C ATOM 1139 C ILE A 72 32.592 9.513 1.423 1.00 0.00 C ATOM 1140 O ILE A 72 31.540 9.694 0.811 1.00 0.00 O ATOM 1141 CB ILE A 72 32.570 10.456 3.733 1.00 0.00 C ATOM 1142 CG1 ILE A 72 32.695 10.137 5.225 1.00 0.00 C ATOM 1143 CG2 ILE A 72 31.298 11.244 3.460 1.00 0.00 C ATOM 1144 CD1 ILE A 72 32.692 11.365 6.107 1.00 0.00 C ATOM 0 H ILE A 72 34.372 8.738 3.917 1.00 0.00 H new ATOM 0 HA ILE A 72 31.687 8.580 3.133 1.00 0.00 H new ATOM 0 HB ILE A 72 33.423 11.067 3.438 1.00 0.00 H new ATOM 0 HG12 ILE A 72 31.872 9.486 5.519 1.00 0.00 H new ATOM 0 HG13 ILE A 72 33.617 9.581 5.393 1.00 0.00 H new ATOM 0 HG21 ILE A 72 31.303 12.159 4.052 1.00 0.00 H new ATOM 0 HG22 ILE A 72 31.247 11.497 2.401 1.00 0.00 H new ATOM 0 HG23 ILE A 72 30.431 10.641 3.731 1.00 0.00 H new ATOM 0 HD11 ILE A 72 32.784 11.064 7.151 1.00 0.00 H new ATOM 0 HD12 ILE A 72 33.531 12.007 5.840 1.00 0.00 H new ATOM 0 HD13 ILE A 72 31.759 11.911 5.968 1.00 0.00 H new ATOM 1156 N ALA A 73 33.788 9.610 0.850 1.00 0.00 N ATOM 1157 CA ALA A 73 33.934 9.940 -0.562 1.00 0.00 C ATOM 1158 C ALA A 73 33.360 8.838 -1.446 1.00 0.00 C ATOM 1159 O ALA A 73 32.613 9.107 -2.387 1.00 0.00 O ATOM 1160 CB ALA A 73 35.398 10.182 -0.899 1.00 0.00 C ATOM 0 H ALA A 73 34.669 9.465 1.342 1.00 0.00 H new ATOM 0 HA ALA A 73 33.372 10.854 -0.756 1.00 0.00 H new ATOM 0 HB1 ALA A 73 35.492 10.427 -1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 73 35.777 11.009 -0.299 1.00 0.00 H new ATOM 0 HB3 ALA A 73 35.975 9.283 -0.683 1.00 0.00 H new ATOM 1166 N THR A 74 33.716 7.594 -1.139 1.00 0.00 N ATOM 1167 CA THR A 74 33.238 6.451 -1.906 1.00 0.00 C ATOM 1168 C THR A 74 31.727 6.296 -1.780 1.00 0.00 C ATOM 1169 O THR A 74 31.020 6.168 -2.780 1.00 0.00 O ATOM 1170 CB THR A 74 33.916 5.145 -1.450 1.00 0.00 C ATOM 1171 OG1 THR A 74 35.339 5.266 -1.564 1.00 0.00 O ATOM 1172 CG2 THR A 74 33.434 3.966 -2.281 1.00 0.00 C ATOM 0 H THR A 74 34.334 7.353 -0.364 1.00 0.00 H new ATOM 0 HA THR A 74 33.495 6.641 -2.948 1.00 0.00 H new ATOM 0 HB THR A 74 33.649 4.968 -0.408 1.00 0.00 H new ATOM 0 HG1 THR A 74 35.763 4.432 -1.271 1.00 0.00 H new ATOM 0 HG21 THR A 74 33.927 3.055 -1.940 1.00 0.00 H new ATOM 0 HG22 THR A 74 32.355 3.859 -2.169 1.00 0.00 H new ATOM 0 HG23 THR A 74 33.674 4.138 -3.330 1.00 0.00 H new ATOM 1180 N VAL A 75 31.237 6.309 -0.544 1.00 0.00 N ATOM 1181 CA VAL A 75 29.808 6.173 -0.288 1.00 0.00 C ATOM 1182 C VAL A 75 29.019 7.291 -0.960 1.00 0.00 C ATOM 1183 O VAL A 75 27.940 7.063 -1.505 1.00 0.00 O ATOM 1184 CB VAL A 75 29.506 6.182 1.223 1.00 0.00 C ATOM 1185 CG1 VAL A 75 28.020 5.971 1.471 1.00 0.00 C ATOM 1186 CG2 VAL A 75 30.330 5.122 1.937 1.00 0.00 C ATOM 0 H VAL A 75 31.808 6.412 0.295 1.00 0.00 H new ATOM 0 HA VAL A 75 29.501 5.215 -0.707 1.00 0.00 H new ATOM 0 HB VAL A 75 29.783 7.156 1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 75 27.825 5.980 2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 75 27.454 6.770 0.992 1.00 0.00 H new ATOM 0 HG13 VAL A 75 27.714 5.011 1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 75 30.104 5.143 3.003 1.00 0.00 H new ATOM 0 HG22 VAL A 75 30.087 4.139 1.533 1.00 0.00 H new ATOM 0 HG23 VAL A 75 31.391 5.323 1.787 1.00 0.00 H new ATOM 1196 N GLY A 76 29.566 8.502 -0.917 1.00 0.00 N ATOM 1197 CA GLY A 76 28.900 9.639 -1.525 1.00 0.00 C ATOM 1198 C GLY A 76 28.589 9.411 -2.991 1.00 0.00 C ATOM 1199 O GLY A 76 27.590 9.916 -3.506 1.00 0.00 O ATOM 0 H GLY A 76 30.459 8.716 -0.472 1.00 0.00 H new ATOM 0 HA2 GLY A 76 27.974 9.844 -0.988 1.00 0.00 H new ATOM 0 HA3 GLY A 76 29.530 10.523 -1.423 1.00 0.00 H new ATOM 1203 N ARG A 77 29.445 8.651 -3.666 1.00 0.00 N ATOM 1204 CA ARG A 77 29.257 8.361 -5.082 1.00 0.00 C ATOM 1205 C ARG A 77 28.071 7.425 -5.292 1.00 0.00 C ATOM 1206 O ARG A 77 27.364 7.518 -6.295 1.00 0.00 O ATOM 1207 CB ARG A 77 30.524 7.736 -5.669 1.00 0.00 C ATOM 1208 CG ARG A 77 31.729 8.662 -5.644 1.00 0.00 C ATOM 1209 CD ARG A 77 33.030 7.888 -5.775 1.00 0.00 C ATOM 1210 NE ARG A 77 33.240 7.398 -7.135 1.00 0.00 N ATOM 1211 CZ ARG A 77 34.160 6.495 -7.457 1.00 0.00 C ATOM 1212 NH1 ARG A 77 34.950 5.986 -6.521 1.00 0.00 N ATOM 1213 NH2 ARG A 77 34.290 6.098 -8.716 1.00 0.00 N ATOM 0 H ARG A 77 30.276 8.225 -3.255 1.00 0.00 H new ATOM 0 HA ARG A 77 29.052 9.300 -5.596 1.00 0.00 H new ATOM 0 HB2 ARG A 77 30.762 6.829 -5.114 1.00 0.00 H new ATOM 0 HB3 ARG A 77 30.328 7.437 -6.699 1.00 0.00 H new ATOM 0 HG2 ARG A 77 31.651 9.384 -6.457 1.00 0.00 H new ATOM 0 HG3 ARG A 77 31.734 9.229 -4.713 1.00 0.00 H new ATOM 0 HD2 ARG A 77 33.864 8.529 -5.488 1.00 0.00 H new ATOM 0 HD3 ARG A 77 33.022 7.046 -5.083 1.00 0.00 H new ATOM 0 HE ARG A 77 32.648 7.769 -7.878 1.00 0.00 H new ATOM 0 HH11 ARG A 77 34.852 6.288 -5.552 1.00 0.00 H new ATOM 0 HH12 ARG A 77 35.655 5.293 -6.771 1.00 0.00 H new ATOM 0 HH21 ARG A 77 33.683 6.486 -9.438 1.00 0.00 H new ATOM 0 HH22 ARG A 77 34.997 5.405 -8.962 1.00 0.00 H new ATOM 1227 N ASN A 78 27.860 6.522 -4.340 1.00 0.00 N ATOM 1228 CA ASN A 78 26.760 5.568 -4.421 1.00 0.00 C ATOM 1229 C ASN A 78 25.414 6.286 -4.399 1.00 0.00 C ATOM 1230 O ASN A 78 24.443 5.828 -5.002 1.00 0.00 O ATOM 1231 CB ASN A 78 26.837 4.569 -3.264 1.00 0.00 C ATOM 1232 CG ASN A 78 27.744 3.394 -3.575 1.00 0.00 C ATOM 1233 OD1 ASN A 78 27.815 2.935 -4.715 1.00 0.00 O ATOM 1234 ND2 ASN A 78 28.441 2.901 -2.558 1.00 0.00 N ATOM 0 H ASN A 78 28.436 6.431 -3.503 1.00 0.00 H new ATOM 0 HA ASN A 78 26.849 5.029 -5.364 1.00 0.00 H new ATOM 0 HB2 ASN A 78 27.200 5.078 -2.371 1.00 0.00 H new ATOM 0 HB3 ASN A 78 25.836 4.202 -3.037 1.00 0.00 H new ATOM 0 HD21 ASN A 78 29.067 2.109 -2.705 1.00 0.00 H new ATOM 0 HD22 ASN A 78 28.350 3.314 -1.630 1.00 0.00 H new ATOM 1241 N VAL A 79 25.363 7.416 -3.700 1.00 0.00 N ATOM 1242 CA VAL A 79 24.138 8.199 -3.600 1.00 0.00 C ATOM 1243 C VAL A 79 24.059 9.241 -4.710 1.00 0.00 C ATOM 1244 O VAL A 79 23.232 10.150 -4.665 1.00 0.00 O ATOM 1245 CB VAL A 79 24.034 8.908 -2.237 1.00 0.00 C ATOM 1246 CG1 VAL A 79 23.791 7.898 -1.126 1.00 0.00 C ATOM 1247 CG2 VAL A 79 25.291 9.721 -1.963 1.00 0.00 C ATOM 0 H VAL A 79 26.157 7.809 -3.195 1.00 0.00 H new ATOM 0 HA VAL A 79 23.307 7.500 -3.702 1.00 0.00 H new ATOM 0 HB VAL A 79 23.185 9.591 -2.266 1.00 0.00 H new ATOM 0 HG11 VAL A 79 23.720 8.418 -0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 79 22.861 7.363 -1.318 1.00 0.00 H new ATOM 0 HG13 VAL A 79 24.617 7.188 -1.092 1.00 0.00 H new ATOM 0 HG21 VAL A 79 25.201 10.216 -0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 79 26.157 9.059 -1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 79 25.417 10.471 -2.744 1.00 0.00 H new ATOM 1257 N GLY A 80 24.927 9.101 -5.708 1.00 0.00 N ATOM 1258 CA GLY A 80 24.939 10.037 -6.817 1.00 0.00 C ATOM 1259 C GLY A 80 25.526 11.381 -6.435 1.00 0.00 C ATOM 1260 O GLY A 80 25.168 12.409 -7.009 1.00 0.00 O ATOM 0 H GLY A 80 25.622 8.356 -5.768 1.00 0.00 H new ATOM 0 HA2 GLY A 80 25.515 9.613 -7.640 1.00 0.00 H new ATOM 0 HA3 GLY A 80 23.921 10.179 -7.180 1.00 0.00 H new ATOM 1264 N PHE A 81 26.430 11.375 -5.460 1.00 0.00 N ATOM 1265 CA PHE A 81 27.066 12.603 -4.999 1.00 0.00 C ATOM 1266 C PHE A 81 28.585 12.507 -5.118 1.00 0.00 C ATOM 1267 O PHE A 81 29.217 11.673 -4.469 1.00 0.00 O ATOM 1268 CB PHE A 81 26.674 12.893 -3.549 1.00 0.00 C ATOM 1269 CG PHE A 81 25.216 13.209 -3.374 1.00 0.00 C ATOM 1270 CD1 PHE A 81 24.526 13.918 -4.344 1.00 0.00 C ATOM 1271 CD2 PHE A 81 24.535 12.797 -2.240 1.00 0.00 C ATOM 1272 CE1 PHE A 81 23.185 14.211 -4.185 1.00 0.00 C ATOM 1273 CE2 PHE A 81 23.194 13.087 -2.076 1.00 0.00 C ATOM 1274 CZ PHE A 81 22.518 13.794 -3.050 1.00 0.00 C ATOM 0 H PHE A 81 26.738 10.533 -4.974 1.00 0.00 H new ATOM 0 HA PHE A 81 26.720 13.421 -5.632 1.00 0.00 H new ATOM 0 HB2 PHE A 81 26.927 12.030 -2.933 1.00 0.00 H new ATOM 0 HB3 PHE A 81 27.266 13.731 -3.182 1.00 0.00 H new ATOM 0 HD1 PHE A 81 25.042 14.245 -5.234 1.00 0.00 H new ATOM 0 HD2 PHE A 81 25.058 12.243 -1.475 1.00 0.00 H new ATOM 0 HE1 PHE A 81 22.659 14.766 -4.948 1.00 0.00 H new ATOM 0 HE2 PHE A 81 22.675 12.761 -1.187 1.00 0.00 H new ATOM 0 HZ PHE A 81 21.470 14.021 -2.925 1.00 0.00 H new ATOM 1284 N ASP A 82 29.162 13.365 -5.951 1.00 0.00 N ATOM 1285 CA ASP A 82 30.606 13.379 -6.155 1.00 0.00 C ATOM 1286 C ASP A 82 31.302 14.190 -5.066 1.00 0.00 C ATOM 1287 O ASP A 82 32.435 13.895 -4.687 1.00 0.00 O ATOM 1288 CB ASP A 82 30.943 13.955 -7.531 1.00 0.00 C ATOM 1289 CG ASP A 82 30.282 13.186 -8.658 1.00 0.00 C ATOM 1290 OD1 ASP A 82 30.029 11.976 -8.482 1.00 0.00 O ATOM 1291 OD2 ASP A 82 30.018 13.795 -9.716 1.00 0.00 O ATOM 0 H ASP A 82 28.652 14.060 -6.496 1.00 0.00 H new ATOM 0 HA ASP A 82 30.965 12.351 -6.102 1.00 0.00 H new ATOM 0 HB2 ASP A 82 30.628 14.998 -7.572 1.00 0.00 H new ATOM 0 HB3 ASP A 82 32.024 13.943 -7.672 1.00 0.00 H new ATOM 1296 N ASP A 83 30.615 15.212 -4.567 1.00 0.00 N ATOM 1297 CA ASP A 83 31.167 16.066 -3.522 1.00 0.00 C ATOM 1298 C ASP A 83 30.944 15.451 -2.144 1.00 0.00 C ATOM 1299 O ASP A 83 29.806 15.254 -1.719 1.00 0.00 O ATOM 1300 CB ASP A 83 30.532 17.456 -3.582 1.00 0.00 C ATOM 1301 CG ASP A 83 31.211 18.360 -4.592 1.00 0.00 C ATOM 1302 OD1 ASP A 83 32.451 18.492 -4.531 1.00 0.00 O ATOM 1303 OD2 ASP A 83 30.502 18.933 -5.445 1.00 0.00 O ATOM 0 H ASP A 83 29.675 15.469 -4.869 1.00 0.00 H new ATOM 0 HA ASP A 83 32.240 16.157 -3.690 1.00 0.00 H new ATOM 0 HB2 ASP A 83 29.477 17.359 -3.837 1.00 0.00 H new ATOM 0 HB3 ASP A 83 30.581 17.917 -2.596 1.00 0.00 H new ATOM 1308 N GLN A 84 32.038 15.149 -1.452 1.00 0.00 N ATOM 1309 CA GLN A 84 31.962 14.554 -0.123 1.00 0.00 C ATOM 1310 C GLN A 84 31.291 15.506 0.861 1.00 0.00 C ATOM 1311 O GLN A 84 30.489 15.088 1.697 1.00 0.00 O ATOM 1312 CB GLN A 84 33.360 14.187 0.376 1.00 0.00 C ATOM 1313 CG GLN A 84 33.395 13.773 1.838 1.00 0.00 C ATOM 1314 CD GLN A 84 34.781 13.361 2.295 1.00 0.00 C ATOM 1315 OE1 GLN A 84 35.292 12.314 1.898 1.00 0.00 O ATOM 1316 NE2 GLN A 84 35.397 14.185 3.134 1.00 0.00 N ATOM 0 H GLN A 84 32.987 15.307 -1.790 1.00 0.00 H new ATOM 0 HA GLN A 84 31.360 13.648 -0.192 1.00 0.00 H new ATOM 0 HB2 GLN A 84 33.752 13.372 -0.233 1.00 0.00 H new ATOM 0 HB3 GLN A 84 34.023 15.040 0.233 1.00 0.00 H new ATOM 0 HG2 GLN A 84 33.044 14.601 2.455 1.00 0.00 H new ATOM 0 HG3 GLN A 84 32.704 12.945 1.994 1.00 0.00 H new ATOM 0 HE21 GLN A 84 34.936 15.043 3.437 1.00 0.00 H new ATOM 0 HE22 GLN A 84 36.332 13.960 3.475 1.00 0.00 H new ATOM 1325 N LEU A 85 31.624 16.788 0.758 1.00 0.00 N ATOM 1326 CA LEU A 85 31.054 17.801 1.639 1.00 0.00 C ATOM 1327 C LEU A 85 29.565 17.986 1.366 1.00 0.00 C ATOM 1328 O LEU A 85 28.775 18.191 2.287 1.00 0.00 O ATOM 1329 CB LEU A 85 31.787 19.132 1.460 1.00 0.00 C ATOM 1330 CG LEU A 85 33.052 19.320 2.298 1.00 0.00 C ATOM 1331 CD1 LEU A 85 34.167 18.420 1.790 1.00 0.00 C ATOM 1332 CD2 LEU A 85 33.490 20.777 2.282 1.00 0.00 C ATOM 0 H LEU A 85 32.286 17.151 0.072 1.00 0.00 H new ATOM 0 HA LEU A 85 31.176 17.462 2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 85 32.053 19.239 0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 85 31.095 19.940 1.697 1.00 0.00 H new ATOM 0 HG LEU A 85 32.828 19.040 3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 85 35.059 18.567 2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 85 33.852 17.379 1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 85 34.390 18.668 0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 85 34.392 20.892 2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 85 33.696 21.084 1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 85 32.696 21.400 2.695 1.00 0.00 H new ATOM 1344 N TYR A 86 29.189 17.909 0.094 1.00 0.00 N ATOM 1345 CA TYR A 86 27.795 18.068 -0.301 1.00 0.00 C ATOM 1346 C TYR A 86 26.918 17.008 0.356 1.00 0.00 C ATOM 1347 O TYR A 86 25.873 17.317 0.929 1.00 0.00 O ATOM 1348 CB TYR A 86 27.662 17.985 -1.823 1.00 0.00 C ATOM 1349 CG TYR A 86 26.229 17.912 -2.302 1.00 0.00 C ATOM 1350 CD1 TYR A 86 25.220 18.605 -1.645 1.00 0.00 C ATOM 1351 CD2 TYR A 86 25.885 17.149 -3.411 1.00 0.00 C ATOM 1352 CE1 TYR A 86 23.910 18.541 -2.079 1.00 0.00 C ATOM 1353 CE2 TYR A 86 24.578 17.080 -3.853 1.00 0.00 C ATOM 1354 CZ TYR A 86 23.594 17.778 -3.184 1.00 0.00 C ATOM 1355 OH TYR A 86 22.291 17.711 -3.620 1.00 0.00 O ATOM 0 H TYR A 86 29.830 17.738 -0.681 1.00 0.00 H new ATOM 0 HA TYR A 86 27.459 19.049 0.034 1.00 0.00 H new ATOM 0 HB2 TYR A 86 28.142 18.856 -2.269 1.00 0.00 H new ATOM 0 HB3 TYR A 86 28.201 17.107 -2.179 1.00 0.00 H new ATOM 0 HD1 TYR A 86 25.464 19.204 -0.780 1.00 0.00 H new ATOM 0 HD2 TYR A 86 26.653 16.600 -3.937 1.00 0.00 H new ATOM 0 HE1 TYR A 86 23.138 19.085 -1.556 1.00 0.00 H new ATOM 0 HE2 TYR A 86 24.328 16.483 -4.718 1.00 0.00 H new ATOM 0 HH TYR A 86 22.240 17.133 -4.409 1.00 0.00 H new ATOM 1365 N PHE A 87 27.351 15.754 0.270 1.00 0.00 N ATOM 1366 CA PHE A 87 26.606 14.646 0.855 1.00 0.00 C ATOM 1367 C PHE A 87 26.471 14.819 2.365 1.00 0.00 C ATOM 1368 O PHE A 87 25.392 14.635 2.928 1.00 0.00 O ATOM 1369 CB PHE A 87 27.298 13.317 0.543 1.00 0.00 C ATOM 1370 CG PHE A 87 26.721 12.150 1.292 1.00 0.00 C ATOM 1371 CD1 PHE A 87 25.384 11.813 1.153 1.00 0.00 C ATOM 1372 CD2 PHE A 87 27.515 11.390 2.135 1.00 0.00 C ATOM 1373 CE1 PHE A 87 24.850 10.740 1.842 1.00 0.00 C ATOM 1374 CE2 PHE A 87 26.987 10.315 2.826 1.00 0.00 C ATOM 1375 CZ PHE A 87 25.653 9.990 2.678 1.00 0.00 C ATOM 0 H PHE A 87 28.214 15.480 -0.199 1.00 0.00 H new ATOM 0 HA PHE A 87 25.608 14.640 0.416 1.00 0.00 H new ATOM 0 HB2 PHE A 87 27.227 13.122 -0.527 1.00 0.00 H new ATOM 0 HB3 PHE A 87 28.358 13.404 0.782 1.00 0.00 H new ATOM 0 HD1 PHE A 87 24.752 12.395 0.499 1.00 0.00 H new ATOM 0 HD2 PHE A 87 28.559 11.640 2.254 1.00 0.00 H new ATOM 0 HE1 PHE A 87 23.806 10.489 1.726 1.00 0.00 H new ATOM 0 HE2 PHE A 87 27.617 9.731 3.480 1.00 0.00 H new ATOM 0 HZ PHE A 87 25.238 9.150 3.216 1.00 0.00 H new ATOM 1385 N SER A 88 27.575 15.173 3.015 1.00 0.00 N ATOM 1386 CA SER A 88 27.582 15.367 4.461 1.00 0.00 C ATOM 1387 C SER A 88 26.712 16.557 4.853 1.00 0.00 C ATOM 1388 O SER A 88 26.046 16.538 5.889 1.00 0.00 O ATOM 1389 CB SER A 88 29.013 15.580 4.961 1.00 0.00 C ATOM 1390 OG SER A 88 29.425 16.922 4.772 1.00 0.00 O ATOM 0 H SER A 88 28.476 15.331 2.564 1.00 0.00 H new ATOM 0 HA SER A 88 27.172 14.470 4.926 1.00 0.00 H new ATOM 0 HB2 SER A 88 29.074 15.323 6.019 1.00 0.00 H new ATOM 0 HB3 SER A 88 29.690 14.910 4.431 1.00 0.00 H new ATOM 0 HG SER A 88 29.198 17.209 3.863 1.00 0.00 H new ATOM 1396 N ARG A 89 26.724 17.592 4.019 1.00 0.00 N ATOM 1397 CA ARG A 89 25.937 18.791 4.279 1.00 0.00 C ATOM 1398 C ARG A 89 24.444 18.478 4.258 1.00 0.00 C ATOM 1399 O ARG A 89 23.714 18.820 5.188 1.00 0.00 O ATOM 1400 CB ARG A 89 26.256 19.870 3.242 1.00 0.00 C ATOM 1401 CG ARG A 89 27.443 20.743 3.617 1.00 0.00 C ATOM 1402 CD ARG A 89 27.421 22.066 2.868 1.00 0.00 C ATOM 1403 NE ARG A 89 28.482 22.965 3.314 1.00 0.00 N ATOM 1404 CZ ARG A 89 28.435 23.650 4.451 1.00 0.00 C ATOM 1405 NH1 ARG A 89 27.385 23.538 5.253 1.00 0.00 N ATOM 1406 NH2 ARG A 89 29.440 24.449 4.788 1.00 0.00 N ATOM 0 H ARG A 89 27.270 17.624 3.158 1.00 0.00 H new ATOM 0 HA ARG A 89 26.200 19.159 5.271 1.00 0.00 H new ATOM 0 HB2 ARG A 89 26.456 19.392 2.283 1.00 0.00 H new ATOM 0 HB3 ARG A 89 25.379 20.503 3.107 1.00 0.00 H new ATOM 0 HG2 ARG A 89 27.433 20.931 4.691 1.00 0.00 H new ATOM 0 HG3 ARG A 89 28.370 20.214 3.395 1.00 0.00 H new ATOM 0 HD2 ARG A 89 27.529 21.880 1.800 1.00 0.00 H new ATOM 0 HD3 ARG A 89 26.454 22.548 3.011 1.00 0.00 H new ATOM 0 HE ARG A 89 29.304 23.073 2.720 1.00 0.00 H new ATOM 0 HH11 ARG A 89 26.611 22.925 4.997 1.00 0.00 H new ATOM 0 HH12 ARG A 89 27.351 24.065 6.126 1.00 0.00 H new ATOM 0 HH21 ARG A 89 30.249 24.537 4.174 1.00 0.00 H new ATOM 0 HH22 ARG A 89 29.403 24.975 5.661 1.00 0.00 H new ATOM 1420 N VAL A 90 23.996 17.824 3.191 1.00 0.00 N ATOM 1421 CA VAL A 90 22.591 17.463 3.049 1.00 0.00 C ATOM 1422 C VAL A 90 22.204 16.362 4.031 1.00 0.00 C ATOM 1423 O VAL A 90 21.125 16.394 4.622 1.00 0.00 O ATOM 1424 CB VAL A 90 22.273 16.994 1.617 1.00 0.00 C ATOM 1425 CG1 VAL A 90 23.130 15.793 1.246 1.00 0.00 C ATOM 1426 CG2 VAL A 90 20.794 16.666 1.480 1.00 0.00 C ATOM 0 H VAL A 90 24.587 17.533 2.412 1.00 0.00 H new ATOM 0 HA VAL A 90 22.011 18.360 3.266 1.00 0.00 H new ATOM 0 HB VAL A 90 22.507 17.805 0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 90 22.892 15.476 0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 90 24.184 16.066 1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 90 22.930 14.975 1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 90 20.587 16.336 0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 90 20.531 15.872 2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 90 20.202 17.554 1.701 1.00 0.00 H new ATOM 1436 N PHE A 91 23.093 15.389 4.200 1.00 0.00 N ATOM 1437 CA PHE A 91 22.846 14.277 5.110 1.00 0.00 C ATOM 1438 C PHE A 91 22.794 14.760 6.557 1.00 0.00 C ATOM 1439 O PHE A 91 22.015 14.253 7.365 1.00 0.00 O ATOM 1440 CB PHE A 91 23.933 13.211 4.954 1.00 0.00 C ATOM 1441 CG PHE A 91 23.762 12.042 5.881 1.00 0.00 C ATOM 1442 CD1 PHE A 91 24.279 12.079 7.166 1.00 0.00 C ATOM 1443 CD2 PHE A 91 23.085 10.906 5.468 1.00 0.00 C ATOM 1444 CE1 PHE A 91 24.125 11.004 8.021 1.00 0.00 C ATOM 1445 CE2 PHE A 91 22.927 9.828 6.319 1.00 0.00 C ATOM 1446 CZ PHE A 91 23.447 9.877 7.597 1.00 0.00 C ATOM 0 H PHE A 91 23.991 15.348 3.718 1.00 0.00 H new ATOM 0 HA PHE A 91 21.880 13.840 4.857 1.00 0.00 H new ATOM 0 HB2 PHE A 91 23.934 12.852 3.925 1.00 0.00 H new ATOM 0 HB3 PHE A 91 24.907 13.667 5.133 1.00 0.00 H new ATOM 0 HD1 PHE A 91 24.808 12.958 7.503 1.00 0.00 H new ATOM 0 HD2 PHE A 91 22.676 10.862 4.469 1.00 0.00 H new ATOM 0 HE1 PHE A 91 24.534 11.045 9.020 1.00 0.00 H new ATOM 0 HE2 PHE A 91 22.397 8.948 5.984 1.00 0.00 H new ATOM 0 HZ PHE A 91 23.324 9.036 8.264 1.00 0.00 H new ATOM 1456 N LYS A 92 23.629 15.742 6.877 1.00 0.00 N ATOM 1457 CA LYS A 92 23.680 16.295 8.225 1.00 0.00 C ATOM 1458 C LYS A 92 22.313 16.821 8.649 1.00 0.00 C ATOM 1459 O LYS A 92 21.887 16.627 9.787 1.00 0.00 O ATOM 1460 CB LYS A 92 24.717 17.418 8.299 1.00 0.00 C ATOM 1461 CG LYS A 92 24.734 18.143 9.633 1.00 0.00 C ATOM 1462 CD LYS A 92 23.813 19.352 9.623 1.00 0.00 C ATOM 1463 CE LYS A 92 24.599 20.652 9.714 1.00 0.00 C ATOM 1464 NZ LYS A 92 23.912 21.766 9.004 1.00 0.00 N ATOM 0 H LYS A 92 24.281 16.172 6.220 1.00 0.00 H new ATOM 0 HA LYS A 92 23.970 15.496 8.908 1.00 0.00 H new ATOM 0 HB2 LYS A 92 25.706 17.001 8.109 1.00 0.00 H new ATOM 0 HB3 LYS A 92 24.517 18.139 7.506 1.00 0.00 H new ATOM 0 HG2 LYS A 92 24.428 17.458 10.424 1.00 0.00 H new ATOM 0 HG3 LYS A 92 25.751 18.461 9.862 1.00 0.00 H new ATOM 0 HD2 LYS A 92 23.217 19.349 8.711 1.00 0.00 H new ATOM 0 HD3 LYS A 92 23.117 19.287 10.459 1.00 0.00 H new ATOM 0 HE2 LYS A 92 24.738 20.920 10.761 1.00 0.00 H new ATOM 0 HE3 LYS A 92 25.592 20.507 9.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 24.479 22.634 9.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 23.802 21.522 7.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 22.975 21.922 9.427 1.00 0.00 H new ATOM 1478 N LYS A 93 21.629 17.488 7.725 1.00 0.00 N ATOM 1479 CA LYS A 93 20.308 18.041 8.001 1.00 0.00 C ATOM 1480 C LYS A 93 19.249 16.943 8.009 1.00 0.00 C ATOM 1481 O LYS A 93 18.208 17.076 8.653 1.00 0.00 O ATOM 1482 CB LYS A 93 19.949 19.102 6.959 1.00 0.00 C ATOM 1483 CG LYS A 93 20.920 20.270 6.921 1.00 0.00 C ATOM 1484 CD LYS A 93 20.890 20.975 5.575 1.00 0.00 C ATOM 1485 CE LYS A 93 19.606 21.770 5.391 1.00 0.00 C ATOM 1486 NZ LYS A 93 19.479 22.860 6.399 1.00 0.00 N ATOM 0 H LYS A 93 21.968 17.659 6.778 1.00 0.00 H new ATOM 0 HA LYS A 93 20.334 18.503 8.988 1.00 0.00 H new ATOM 0 HB2 LYS A 93 19.916 18.636 5.974 1.00 0.00 H new ATOM 0 HB3 LYS A 93 18.948 19.479 7.167 1.00 0.00 H new ATOM 0 HG2 LYS A 93 20.669 20.979 7.710 1.00 0.00 H new ATOM 0 HG3 LYS A 93 21.930 19.912 7.123 1.00 0.00 H new ATOM 0 HD2 LYS A 93 21.748 21.643 5.494 1.00 0.00 H new ATOM 0 HD3 LYS A 93 20.982 20.240 4.776 1.00 0.00 H new ATOM 0 HE2 LYS A 93 19.584 22.198 4.389 1.00 0.00 H new ATOM 0 HE3 LYS A 93 18.750 21.100 5.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 18.803 23.572 6.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 19.139 22.463 7.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 20.407 23.306 6.547 1.00 0.00 H new ATOM 1500 N CYS A 94 19.523 15.858 7.293 1.00 0.00 N ATOM 1501 CA CYS A 94 18.594 14.736 7.219 1.00 0.00 C ATOM 1502 C CYS A 94 18.262 14.211 8.612 1.00 0.00 C ATOM 1503 O CYS A 94 17.094 14.035 8.959 1.00 0.00 O ATOM 1504 CB CYS A 94 19.185 13.613 6.365 1.00 0.00 C ATOM 1505 SG CYS A 94 18.011 12.300 5.957 1.00 0.00 S ATOM 0 H CYS A 94 20.381 15.732 6.756 1.00 0.00 H new ATOM 0 HA CYS A 94 17.673 15.089 6.755 1.00 0.00 H new ATOM 0 HB2 CYS A 94 19.572 14.040 5.440 1.00 0.00 H new ATOM 0 HB3 CYS A 94 20.032 13.177 6.894 1.00 0.00 H new ATOM 0 HG CYS A 94 17.071 12.264 6.855 1.00 0.00 H new ATOM 1511 N THR A 95 19.298 13.962 9.407 1.00 0.00 N ATOM 1512 CA THR A 95 19.118 13.454 10.761 1.00 0.00 C ATOM 1513 C THR A 95 19.449 14.523 11.797 1.00 0.00 C ATOM 1514 O THR A 95 19.194 14.347 12.987 1.00 0.00 O ATOM 1515 CB THR A 95 19.996 12.216 11.018 1.00 0.00 C ATOM 1516 OG1 THR A 95 21.376 12.595 11.069 1.00 0.00 O ATOM 1517 CG2 THR A 95 19.792 11.172 9.931 1.00 0.00 C ATOM 0 H THR A 95 20.271 14.104 9.136 1.00 0.00 H new ATOM 0 HA THR A 95 18.070 13.172 10.856 1.00 0.00 H new ATOM 0 HB THR A 95 19.703 11.784 11.975 1.00 0.00 H new ATOM 0 HG1 THR A 95 21.927 11.802 11.234 1.00 0.00 H new ATOM 0 HG21 THR A 95 20.423 10.307 10.134 1.00 0.00 H new ATOM 0 HG22 THR A 95 18.747 10.863 9.915 1.00 0.00 H new ATOM 0 HG23 THR A 95 20.060 11.597 8.964 1.00 0.00 H new ATOM 1525 N GLY A 96 20.019 15.632 11.335 1.00 0.00 N ATOM 1526 CA GLY A 96 20.375 16.713 12.235 1.00 0.00 C ATOM 1527 C GLY A 96 21.827 16.652 12.668 1.00 0.00 C ATOM 1528 O GLY A 96 22.323 17.564 13.328 1.00 0.00 O ATOM 0 H GLY A 96 20.240 15.801 10.354 1.00 0.00 H new ATOM 0 HA2 GLY A 96 20.185 17.668 11.744 1.00 0.00 H new ATOM 0 HA3 GLY A 96 19.734 16.674 13.116 1.00 0.00 H new ATOM 1532 N ALA A 97 22.509 15.573 12.297 1.00 0.00 N ATOM 1533 CA ALA A 97 23.912 15.397 12.651 1.00 0.00 C ATOM 1534 C ALA A 97 24.710 14.848 11.474 1.00 0.00 C ATOM 1535 O ALA A 97 24.192 14.079 10.665 1.00 0.00 O ATOM 1536 CB ALA A 97 24.041 14.475 13.855 1.00 0.00 C ATOM 0 H ALA A 97 22.112 14.808 11.751 1.00 0.00 H new ATOM 0 HA ALA A 97 24.321 16.374 12.910 1.00 0.00 H new ATOM 0 HB1 ALA A 97 25.094 14.352 14.108 1.00 0.00 H new ATOM 0 HB2 ALA A 97 23.512 14.908 14.704 1.00 0.00 H new ATOM 0 HB3 ALA A 97 23.610 13.503 13.617 1.00 0.00 H new ATOM 1542 N SER A 98 25.974 15.250 11.383 1.00 0.00 N ATOM 1543 CA SER A 98 26.843 14.801 10.301 1.00 0.00 C ATOM 1544 C SER A 98 27.086 13.297 10.388 1.00 0.00 C ATOM 1545 O SER A 98 26.865 12.665 11.421 1.00 0.00 O ATOM 1546 CB SER A 98 28.177 15.548 10.348 1.00 0.00 C ATOM 1547 OG SER A 98 28.391 16.132 11.621 1.00 0.00 O ATOM 0 H SER A 98 26.419 15.886 12.045 1.00 0.00 H new ATOM 0 HA SER A 98 26.346 15.017 9.355 1.00 0.00 H new ATOM 0 HB2 SER A 98 28.991 14.860 10.119 1.00 0.00 H new ATOM 0 HB3 SER A 98 28.190 16.323 9.582 1.00 0.00 H new ATOM 0 HG SER A 98 29.251 16.602 11.625 1.00 0.00 H new ATOM 1553 N PRO A 99 27.551 12.709 9.275 1.00 0.00 N ATOM 1554 CA PRO A 99 27.834 11.273 9.199 1.00 0.00 C ATOM 1555 C PRO A 99 29.047 10.876 10.034 1.00 0.00 C ATOM 1556 O PRO A 99 29.111 9.768 10.566 1.00 0.00 O ATOM 1557 CB PRO A 99 28.112 11.045 7.711 1.00 0.00 C ATOM 1558 CG PRO A 99 28.577 12.367 7.205 1.00 0.00 C ATOM 1559 CD PRO A 99 27.836 13.401 8.007 1.00 0.00 C ATOM 0 HA PRO A 99 27.011 10.674 9.590 1.00 0.00 H new ATOM 0 HB2 PRO A 99 28.870 10.276 7.563 1.00 0.00 H new ATOM 0 HB3 PRO A 99 27.215 10.714 7.187 1.00 0.00 H new ATOM 0 HG2 PRO A 99 29.654 12.475 7.329 1.00 0.00 H new ATOM 0 HG3 PRO A 99 28.366 12.474 6.141 1.00 0.00 H new ATOM 0 HD2 PRO A 99 28.439 14.296 8.164 1.00 0.00 H new ATOM 0 HD3 PRO A 99 26.920 13.717 7.507 1.00 0.00 H new ATOM 1567 N SER A 100 30.008 11.788 10.144 1.00 0.00 N ATOM 1568 CA SER A 100 31.221 11.532 10.912 1.00 0.00 C ATOM 1569 C SER A 100 30.907 11.415 12.400 1.00 0.00 C ATOM 1570 O SER A 100 31.538 10.641 13.119 1.00 0.00 O ATOM 1571 CB SER A 100 32.242 12.648 10.680 1.00 0.00 C ATOM 1572 OG SER A 100 33.505 12.303 11.222 1.00 0.00 O ATOM 0 H SER A 100 29.970 12.711 9.711 1.00 0.00 H new ATOM 0 HA SER A 100 31.644 10.586 10.573 1.00 0.00 H new ATOM 0 HB2 SER A 100 32.341 12.839 9.611 1.00 0.00 H new ATOM 0 HB3 SER A 100 31.886 13.572 11.137 1.00 0.00 H new ATOM 0 HG SER A 100 34.141 13.031 11.060 1.00 0.00 H new ATOM 1578 N GLU A 101 29.928 12.191 12.855 1.00 0.00 N ATOM 1579 CA GLU A 101 29.531 12.175 14.258 1.00 0.00 C ATOM 1580 C GLU A 101 28.734 10.916 14.584 1.00 0.00 C ATOM 1581 O GLU A 101 28.999 10.239 15.578 1.00 0.00 O ATOM 1582 CB GLU A 101 28.701 13.417 14.590 1.00 0.00 C ATOM 1583 CG GLU A 101 28.422 13.584 16.074 1.00 0.00 C ATOM 1584 CD GLU A 101 29.397 14.529 16.749 1.00 0.00 C ATOM 1585 OE1 GLU A 101 29.426 15.719 16.373 1.00 0.00 O ATOM 1586 OE2 GLU A 101 30.132 14.078 17.652 1.00 0.00 O ATOM 0 H GLU A 101 29.396 12.838 12.273 1.00 0.00 H new ATOM 0 HA GLU A 101 30.436 12.178 14.865 1.00 0.00 H new ATOM 0 HB2 GLU A 101 29.224 14.301 14.226 1.00 0.00 H new ATOM 0 HB3 GLU A 101 27.753 13.364 14.054 1.00 0.00 H new ATOM 0 HG2 GLU A 101 27.407 13.958 16.209 1.00 0.00 H new ATOM 0 HG3 GLU A 101 28.470 12.610 16.561 1.00 0.00 H new ATOM 1593 N PHE A 102 27.755 10.607 13.740 1.00 0.00 N ATOM 1594 CA PHE A 102 26.917 9.430 13.938 1.00 0.00 C ATOM 1595 C PHE A 102 27.760 8.157 13.943 1.00 0.00 C ATOM 1596 O PHE A 102 27.573 7.280 14.786 1.00 0.00 O ATOM 1597 CB PHE A 102 25.852 9.345 12.843 1.00 0.00 C ATOM 1598 CG PHE A 102 24.709 8.434 13.187 1.00 0.00 C ATOM 1599 CD1 PHE A 102 24.781 7.077 12.918 1.00 0.00 C ATOM 1600 CD2 PHE A 102 23.561 8.935 13.781 1.00 0.00 C ATOM 1601 CE1 PHE A 102 23.731 6.236 13.234 1.00 0.00 C ATOM 1602 CE2 PHE A 102 22.508 8.099 14.099 1.00 0.00 C ATOM 1603 CZ PHE A 102 22.593 6.748 13.825 1.00 0.00 C ATOM 0 H PHE A 102 27.522 11.156 12.912 1.00 0.00 H new ATOM 0 HA PHE A 102 26.425 9.524 14.906 1.00 0.00 H new ATOM 0 HB2 PHE A 102 25.463 10.344 12.647 1.00 0.00 H new ATOM 0 HB3 PHE A 102 26.318 8.998 11.921 1.00 0.00 H new ATOM 0 HD1 PHE A 102 25.669 6.671 12.456 1.00 0.00 H new ATOM 0 HD2 PHE A 102 23.489 9.991 13.998 1.00 0.00 H new ATOM 0 HE1 PHE A 102 23.800 5.180 13.019 1.00 0.00 H new ATOM 0 HE2 PHE A 102 21.619 8.502 14.562 1.00 0.00 H new ATOM 0 HZ PHE A 102 21.771 6.093 14.073 1.00 0.00 H new ATOM 1613 N ARG A 103 28.687 8.065 12.996 1.00 0.00 N ATOM 1614 CA ARG A 103 29.557 6.900 12.889 1.00 0.00 C ATOM 1615 C ARG A 103 30.401 6.735 14.149 1.00 0.00 C ATOM 1616 O ARG A 103 30.678 5.616 14.581 1.00 0.00 O ATOM 1617 CB ARG A 103 30.467 7.027 11.666 1.00 0.00 C ATOM 1618 CG ARG A 103 30.975 5.693 11.144 1.00 0.00 C ATOM 1619 CD ARG A 103 32.322 5.841 10.455 1.00 0.00 C ATOM 1620 NE ARG A 103 32.575 4.758 9.508 1.00 0.00 N ATOM 1621 CZ ARG A 103 32.918 3.528 9.873 1.00 0.00 C ATOM 1622 NH1 ARG A 103 33.049 3.226 11.157 1.00 0.00 N ATOM 1623 NH2 ARG A 103 33.131 2.596 8.952 1.00 0.00 N ATOM 0 H ARG A 103 28.855 8.783 12.292 1.00 0.00 H new ATOM 0 HA ARG A 103 28.928 6.017 12.775 1.00 0.00 H new ATOM 0 HB2 ARG A 103 29.923 7.536 10.870 1.00 0.00 H new ATOM 0 HB3 ARG A 103 31.320 7.656 11.922 1.00 0.00 H new ATOM 0 HG2 ARG A 103 31.063 4.988 11.970 1.00 0.00 H new ATOM 0 HG3 ARG A 103 30.251 5.275 10.444 1.00 0.00 H new ATOM 0 HD2 ARG A 103 32.358 6.796 9.931 1.00 0.00 H new ATOM 0 HD3 ARG A 103 33.113 5.859 11.205 1.00 0.00 H new ATOM 0 HE ARG A 103 32.483 4.957 8.512 1.00 0.00 H new ATOM 0 HH11 ARG A 103 32.886 3.939 11.868 1.00 0.00 H new ATOM 0 HH12 ARG A 103 33.313 2.280 11.434 1.00 0.00 H new ATOM 0 HH21 ARG A 103 33.031 2.824 7.963 1.00 0.00 H new ATOM 0 HH22 ARG A 103 33.394 1.652 9.233 1.00 0.00 H new ATOM 1637 N ALA A 104 30.807 7.857 14.735 1.00 0.00 N ATOM 1638 CA ALA A 104 31.618 7.836 15.946 1.00 0.00 C ATOM 1639 C ALA A 104 30.874 7.161 17.093 1.00 0.00 C ATOM 1640 O ALA A 104 31.486 6.551 17.969 1.00 0.00 O ATOM 1641 CB ALA A 104 32.020 9.251 16.336 1.00 0.00 C ATOM 0 H ALA A 104 30.587 8.792 14.391 1.00 0.00 H new ATOM 0 HA ALA A 104 32.519 7.257 15.741 1.00 0.00 H new ATOM 0 HB1 ALA A 104 32.625 9.221 17.242 1.00 0.00 H new ATOM 0 HB2 ALA A 104 32.598 9.701 15.529 1.00 0.00 H new ATOM 0 HB3 ALA A 104 31.125 9.847 16.517 1.00 0.00 H new ATOM 1647 N GLY A 105 29.549 7.274 17.082 1.00 0.00 N ATOM 1648 CA GLY A 105 28.744 6.669 18.127 1.00 0.00 C ATOM 1649 C GLY A 105 28.578 7.578 19.329 1.00 0.00 C ATOM 1650 O GLY A 105 27.790 7.288 20.230 1.00 0.00 O ATOM 0 H GLY A 105 29.019 7.774 16.368 1.00 0.00 H new ATOM 0 HA2 GLY A 105 27.762 6.419 17.726 1.00 0.00 H new ATOM 0 HA3 GLY A 105 29.207 5.734 18.443 1.00 0.00 H new ATOM 1654 N CYS A 106 29.321 8.679 19.344 1.00 0.00 N ATOM 1655 CA CYS A 106 29.254 9.632 20.446 1.00 0.00 C ATOM 1656 C CYS A 106 28.179 10.684 20.190 1.00 0.00 C ATOM 1657 O CYS A 106 28.225 11.401 19.192 1.00 0.00 O ATOM 1658 CB CYS A 106 30.610 10.309 20.645 1.00 0.00 C ATOM 1659 SG CYS A 106 31.790 9.331 21.604 1.00 0.00 S ATOM 0 H CYS A 106 29.977 8.934 18.605 1.00 0.00 H new ATOM 0 HA CYS A 106 28.993 9.085 21.352 1.00 0.00 H new ATOM 0 HB2 CYS A 106 31.043 10.525 19.668 1.00 0.00 H new ATOM 0 HB3 CYS A 106 30.457 11.266 21.145 1.00 0.00 H new ATOM 0 HG CYS A 106 32.907 9.987 21.716 1.00 0.00 H new