USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 521 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 122 CYS SG : rot -34:sc= 0.503 USER MOD Set 1.2: A 136 CYS SG : rot 27:sc= 1.1 USER MOD Single : A 102 CYS SG : rot 180:sc= -0.252 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.0433 K(o=-0.043,f=-1.4!) USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 MET CE :methyl -166:sc=-0.00865 (180deg=-0.24) USER MOD Single : A 114 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.2) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 30:sc= 0 USER MOD Single : A 121 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 123 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 THR OG1 : rot 160:sc= 0.132 USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 135 THR OG1 : rot 180:sc= -0.0476 USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 TYR OH : rot 180:sc= 0 USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 94:sc= 0.38 USER MOD Single : A 152 THR OG1 : rot -86:sc= 0.2 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 SER OG : rot 168:sc= 0.827 USER MOD Single : A 163 THR OG1 : rot 82:sc= 0.275 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 101 -3.626 6.921 5.781 1.00 0.00 N ATOM 2 CA LEU A 101 -4.877 6.555 6.433 1.00 0.00 C ATOM 3 C LEU A 101 -4.696 6.422 7.939 1.00 0.00 C ATOM 4 O LEU A 101 -5.559 6.828 8.716 1.00 0.00 O ATOM 5 CB LEU A 101 -5.420 5.247 5.843 1.00 0.00 C ATOM 6 CG LEU A 101 -5.904 5.338 4.391 1.00 0.00 C ATOM 7 CD1 LEU A 101 -6.245 3.949 3.867 1.00 0.00 C ATOM 8 CD2 LEU A 101 -7.115 6.255 4.314 1.00 0.00 C ATOM 0 HA LEU A 101 -5.598 7.352 6.251 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.639 4.489 5.902 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.247 4.902 6.464 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.111 5.753 3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -6.588 4.023 2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -5.359 3.316 3.910 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -7.033 3.512 4.480 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.458 6.319 3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -7.914 5.855 4.938 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.842 7.249 4.668 1.00 0.00 H new ATOM 20 N CYS A 102 -3.566 5.852 8.346 1.00 0.00 N ATOM 21 CA CYS A 102 -3.240 5.721 9.761 1.00 0.00 C ATOM 22 C CYS A 102 -3.012 7.083 10.402 1.00 0.00 C ATOM 23 O CYS A 102 -3.419 7.321 11.539 1.00 0.00 O ATOM 24 CB CYS A 102 -1.942 4.914 9.735 1.00 0.00 C ATOM 25 SG CYS A 102 -2.139 3.194 9.209 1.00 0.00 S ATOM 0 H CYS A 102 -2.860 5.473 7.715 1.00 0.00 H new ATOM 0 HA CYS A 102 -4.035 5.253 10.342 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -1.236 5.407 9.066 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -1.500 4.928 10.731 1.00 0.00 H new ATOM 0 HG CYS A 102 -0.982 2.602 9.220 1.00 0.00 H new ATOM 31 N LYS A 103 -2.359 7.977 9.666 1.00 0.00 N ATOM 32 CA LYS A 103 -2.154 9.346 10.125 1.00 0.00 C ATOM 33 C LYS A 103 -3.482 10.072 10.301 1.00 0.00 C ATOM 34 O LYS A 103 -3.677 10.801 11.273 1.00 0.00 O ATOM 35 CB LYS A 103 -1.262 10.110 9.146 1.00 0.00 C ATOM 36 CG LYS A 103 0.210 9.725 9.203 1.00 0.00 C ATOM 37 CD LYS A 103 1.031 10.527 8.204 1.00 0.00 C ATOM 38 CE LYS A 103 2.498 10.125 8.243 1.00 0.00 C ATOM 39 NZ LYS A 103 3.307 10.874 7.244 1.00 0.00 N ATOM 0 H LYS A 103 -1.962 7.777 8.748 1.00 0.00 H new ATOM 0 HA LYS A 103 -1.659 9.303 11.095 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -1.629 9.944 8.133 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -1.354 11.177 9.347 1.00 0.00 H new ATOM 0 HG2 LYS A 103 0.593 9.893 10.210 1.00 0.00 H new ATOM 0 HG3 LYS A 103 0.318 8.661 8.994 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.636 10.373 7.200 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.937 11.590 8.424 1.00 0.00 H new ATOM 0 HE2 LYS A 103 2.897 10.305 9.241 1.00 0.00 H new ATOM 0 HE3 LYS A 103 2.586 9.055 8.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 4.300 10.570 7.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.943 10.683 6.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 3.244 11.893 7.440 1.00 0.00 H new ATOM 53 N ASN A 104 -4.392 9.867 9.356 1.00 0.00 N ATOM 54 CA ASN A 104 -5.715 10.478 9.421 1.00 0.00 C ATOM 55 C ASN A 104 -6.478 10.009 10.651 1.00 0.00 C ATOM 56 O ASN A 104 -7.155 10.798 11.313 1.00 0.00 O ATOM 57 CB ASN A 104 -6.518 10.196 8.165 1.00 0.00 C ATOM 58 CG ASN A 104 -6.066 10.983 6.966 1.00 0.00 C ATOM 59 OD1 ASN A 104 -5.393 12.012 7.092 1.00 0.00 O ATOM 60 ND2 ASN A 104 -6.500 10.550 5.810 1.00 0.00 N ATOM 0 H ASN A 104 -4.238 9.282 8.535 1.00 0.00 H new ATOM 0 HA ASN A 104 -5.569 11.556 9.497 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.454 9.132 7.935 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -7.568 10.417 8.359 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -6.286 11.069 4.958 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -7.052 9.694 5.761 1.00 0.00 H new ATOM 67 N LEU A 105 -6.366 8.721 10.956 1.00 0.00 N ATOM 68 CA LEU A 105 -6.998 8.156 12.143 1.00 0.00 C ATOM 69 C LEU A 105 -6.449 8.790 13.413 1.00 0.00 C ATOM 70 O LEU A 105 -7.204 9.137 14.323 1.00 0.00 O ATOM 71 CB LEU A 105 -6.800 6.634 12.175 1.00 0.00 C ATOM 72 CG LEU A 105 -7.589 5.850 11.119 1.00 0.00 C ATOM 73 CD1 LEU A 105 -7.145 4.394 11.111 1.00 0.00 C ATOM 74 CD2 LEU A 105 -9.078 5.958 11.412 1.00 0.00 C ATOM 0 H LEU A 105 -5.843 8.047 10.397 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.065 8.373 12.095 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.739 6.419 12.046 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.082 6.268 13.162 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.395 6.272 10.133 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.711 3.845 10.358 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.082 4.339 10.877 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.324 3.954 12.092 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.638 5.401 10.661 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -9.285 5.546 12.399 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -9.379 7.005 11.386 1.00 0.00 H new ATOM 86 N LEU A 106 -5.130 8.938 13.472 1.00 0.00 N ATOM 87 CA LEU A 106 -4.480 9.564 14.617 1.00 0.00 C ATOM 88 C LEU A 106 -4.975 10.992 14.818 1.00 0.00 C ATOM 89 O LEU A 106 -5.246 11.412 15.944 1.00 0.00 O ATOM 90 CB LEU A 106 -2.957 9.548 14.437 1.00 0.00 C ATOM 91 CG LEU A 106 -2.303 8.164 14.535 1.00 0.00 C ATOM 92 CD1 LEU A 106 -0.831 8.255 14.156 1.00 0.00 C ATOM 93 CD2 LEU A 106 -2.463 7.625 15.949 1.00 0.00 C ATOM 0 H LEU A 106 -4.490 8.632 12.739 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.737 8.990 15.507 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -2.718 9.977 13.464 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.511 10.197 15.191 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.793 7.480 13.842 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.375 7.268 14.229 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -0.741 8.622 13.134 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.322 8.940 14.834 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -1.998 6.642 16.018 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -1.983 8.304 16.654 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -3.523 7.543 16.189 1.00 0.00 H new ATOM 105 N GLN A 107 -5.090 11.733 13.722 1.00 0.00 N ATOM 106 CA GLN A 107 -5.521 13.124 13.779 1.00 0.00 C ATOM 107 C GLN A 107 -6.969 13.233 14.242 1.00 0.00 C ATOM 108 O GLN A 107 -7.305 14.084 15.065 1.00 0.00 O ATOM 109 CB GLN A 107 -5.365 13.791 12.409 1.00 0.00 C ATOM 110 CG GLN A 107 -3.925 14.065 12.013 1.00 0.00 C ATOM 111 CD GLN A 107 -3.806 14.595 10.596 1.00 0.00 C ATOM 112 OE1 GLN A 107 -4.798 14.683 9.866 1.00 0.00 O ATOM 113 NE2 GLN A 107 -2.589 14.948 10.197 1.00 0.00 N ATOM 0 H GLN A 107 -4.890 11.393 12.781 1.00 0.00 H new ATOM 0 HA GLN A 107 -4.887 13.638 14.502 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -5.824 13.154 11.653 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -5.916 14.732 12.410 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -3.492 14.786 12.706 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -3.345 13.147 12.105 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -1.797 14.858 10.834 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.446 15.309 9.254 1.00 0.00 H new ATOM 122 N GLU A 108 -7.822 12.366 13.706 1.00 0.00 N ATOM 123 CA GLU A 108 -9.238 12.373 14.053 1.00 0.00 C ATOM 124 C GLU A 108 -9.448 12.054 15.527 1.00 0.00 C ATOM 125 O GLU A 108 -10.266 12.679 16.199 1.00 0.00 O ATOM 126 CB GLU A 108 -10.006 11.373 13.185 1.00 0.00 C ATOM 127 CG GLU A 108 -10.182 11.803 11.736 1.00 0.00 C ATOM 128 CD GLU A 108 -10.795 10.705 10.911 1.00 0.00 C ATOM 129 OE1 GLU A 108 -11.001 9.638 11.436 1.00 0.00 O ATOM 130 OE2 GLU A 108 -11.162 10.968 9.790 1.00 0.00 O ATOM 0 H GLU A 108 -7.557 11.650 13.030 1.00 0.00 H new ATOM 0 HA GLU A 108 -9.621 13.376 13.865 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.484 10.416 13.206 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -10.990 11.209 13.625 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -10.814 12.690 11.692 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -9.215 12.079 11.316 1.00 0.00 H new ATOM 137 N TYR A 109 -8.698 11.075 16.027 1.00 0.00 N ATOM 138 CA TYR A 109 -8.747 10.718 17.441 1.00 0.00 C ATOM 139 C TYR A 109 -8.277 11.872 18.316 1.00 0.00 C ATOM 140 O TYR A 109 -8.906 12.193 19.326 1.00 0.00 O ATOM 141 CB TYR A 109 -7.896 9.476 17.708 1.00 0.00 C ATOM 142 CG TYR A 109 -7.866 9.054 19.160 1.00 0.00 C ATOM 143 CD1 TYR A 109 -8.933 8.373 19.727 1.00 0.00 C ATOM 144 CD2 TYR A 109 -6.768 9.337 19.960 1.00 0.00 C ATOM 145 CE1 TYR A 109 -8.912 7.987 21.054 1.00 0.00 C ATOM 146 CE2 TYR A 109 -6.735 8.955 21.287 1.00 0.00 C ATOM 147 CZ TYR A 109 -7.809 8.280 21.831 1.00 0.00 C ATOM 148 OH TYR A 109 -7.780 7.896 23.152 1.00 0.00 O ATOM 0 H TYR A 109 -8.049 10.515 15.473 1.00 0.00 H new ATOM 0 HA TYR A 109 -9.784 10.498 17.695 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -8.278 8.650 17.108 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -6.876 9.668 17.374 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -9.796 8.140 19.121 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -5.925 9.865 19.538 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -9.753 7.460 21.480 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -5.873 9.183 21.896 1.00 0.00 H new ATOM 0 HH TYR A 109 -6.933 8.178 23.556 1.00 0.00 H new ATOM 158 N ALA A 110 -7.169 12.493 17.926 1.00 0.00 N ATOM 159 CA ALA A 110 -6.648 13.651 18.641 1.00 0.00 C ATOM 160 C ALA A 110 -7.716 14.725 18.802 1.00 0.00 C ATOM 161 O ALA A 110 -7.864 15.309 19.876 1.00 0.00 O ATOM 162 CB ALA A 110 -5.432 14.213 17.921 1.00 0.00 C ATOM 0 H ALA A 110 -6.614 12.213 17.117 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.347 13.326 19.637 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -5.054 15.078 18.466 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.656 13.450 17.867 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.714 14.515 16.912 1.00 0.00 H new ATOM 168 N GLN A 111 -8.456 14.982 17.730 1.00 0.00 N ATOM 169 CA GLN A 111 -9.531 15.967 17.760 1.00 0.00 C ATOM 170 C GLN A 111 -10.647 15.534 18.702 1.00 0.00 C ATOM 171 O GLN A 111 -11.211 16.354 19.428 1.00 0.00 O ATOM 172 CB GLN A 111 -10.096 16.185 16.353 1.00 0.00 C ATOM 173 CG GLN A 111 -9.167 16.939 15.418 1.00 0.00 C ATOM 174 CD GLN A 111 -9.725 17.048 14.012 1.00 0.00 C ATOM 175 OE1 GLN A 111 -10.789 16.503 13.707 1.00 0.00 O ATOM 176 NE2 GLN A 111 -9.007 17.753 13.145 1.00 0.00 N ATOM 0 H GLN A 111 -8.331 14.522 16.828 1.00 0.00 H new ATOM 0 HA GLN A 111 -9.113 16.904 18.128 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -10.327 15.215 15.913 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -11.036 16.732 16.432 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -8.990 17.939 15.814 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -8.202 16.434 15.385 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -8.132 18.187 13.441 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -9.330 17.861 12.184 1.00 0.00 H new ATOM 185 N LYS A 112 -10.963 14.245 18.683 1.00 0.00 N ATOM 186 CA LYS A 112 -11.993 13.696 19.560 1.00 0.00 C ATOM 187 C LYS A 112 -11.598 13.831 21.025 1.00 0.00 C ATOM 188 O LYS A 112 -12.452 13.811 21.911 1.00 0.00 O ATOM 189 CB LYS A 112 -12.259 12.229 19.219 1.00 0.00 C ATOM 190 CG LYS A 112 -12.985 12.011 17.900 1.00 0.00 C ATOM 191 CD LYS A 112 -13.137 10.529 17.588 1.00 0.00 C ATOM 192 CE LYS A 112 -13.886 10.310 16.282 1.00 0.00 C ATOM 193 NZ LYS A 112 -14.043 8.864 15.966 1.00 0.00 N ATOM 0 H LYS A 112 -10.522 13.559 18.070 1.00 0.00 H new ATOM 0 HA LYS A 112 -12.907 14.268 19.400 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -11.308 11.698 19.188 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -12.847 11.783 20.021 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -13.969 12.478 17.943 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -12.435 12.499 17.095 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -12.152 10.066 17.526 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -13.670 10.037 18.402 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -14.869 10.776 16.345 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -13.351 10.803 15.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -14.558 8.759 15.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -13.105 8.424 15.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -14.576 8.398 16.728 1.00 0.00 H new ATOM 207 N MET A 113 -10.300 13.968 21.273 1.00 0.00 N ATOM 208 CA MET A 113 -9.789 14.081 22.633 1.00 0.00 C ATOM 209 C MET A 113 -9.469 15.528 22.984 1.00 0.00 C ATOM 210 O MET A 113 -8.986 15.821 24.076 1.00 0.00 O ATOM 211 CB MET A 113 -8.546 13.209 22.804 1.00 0.00 C ATOM 212 CG MET A 113 -8.791 11.719 22.612 1.00 0.00 C ATOM 213 SD MET A 113 -9.919 11.036 23.843 1.00 0.00 S ATOM 214 CE MET A 113 -8.891 11.084 25.308 1.00 0.00 C ATOM 0 H MET A 113 -9.582 14.003 20.549 1.00 0.00 H new ATOM 0 HA MET A 113 -10.565 13.733 23.315 1.00 0.00 H new ATOM 0 HB2 MET A 113 -7.788 13.535 22.092 1.00 0.00 H new ATOM 0 HB3 MET A 113 -8.137 13.372 23.801 1.00 0.00 H new ATOM 0 HG2 MET A 113 -9.199 11.547 21.616 1.00 0.00 H new ATOM 0 HG3 MET A 113 -7.840 11.189 22.663 1.00 0.00 H new ATOM 0 HE1 MET A 113 -9.344 10.475 26.091 1.00 0.00 H new ATOM 0 HE2 MET A 113 -7.902 10.693 25.071 1.00 0.00 H new ATOM 0 HE3 MET A 113 -8.801 12.113 25.655 1.00 0.00 H new ATOM 224 N ASN A 114 -9.741 16.433 22.047 1.00 0.00 N ATOM 225 CA ASN A 114 -9.434 17.845 22.233 1.00 0.00 C ATOM 226 C ASN A 114 -7.938 18.063 22.422 1.00 0.00 C ATOM 227 O ASN A 114 -7.517 18.824 23.293 1.00 0.00 O ATOM 228 CB ASN A 114 -10.202 18.430 23.405 1.00 0.00 C ATOM 229 CG ASN A 114 -10.276 19.932 23.390 1.00 0.00 C ATOM 230 OD1 ASN A 114 -10.227 20.566 22.330 1.00 0.00 O ATOM 231 ND2 ASN A 114 -10.311 20.507 24.565 1.00 0.00 N ATOM 0 H ASN A 114 -10.174 16.211 21.151 1.00 0.00 H new ATOM 0 HA ASN A 114 -9.747 18.365 21.327 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -11.214 18.025 23.403 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -9.731 18.107 24.334 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -10.298 21.524 24.635 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -10.351 19.938 25.410 1.00 0.00 H new ATOM 238 N TYR A 115 -7.139 17.390 21.601 1.00 0.00 N ATOM 239 CA TYR A 115 -5.688 17.500 21.683 1.00 0.00 C ATOM 240 C TYR A 115 -5.099 18.015 20.377 1.00 0.00 C ATOM 241 O TYR A 115 -5.696 17.862 19.312 1.00 0.00 O ATOM 242 CB TYR A 115 -5.068 16.147 22.042 1.00 0.00 C ATOM 243 CG TYR A 115 -5.383 15.680 23.446 1.00 0.00 C ATOM 244 CD1 TYR A 115 -5.650 16.592 24.456 1.00 0.00 C ATOM 245 CD2 TYR A 115 -5.412 14.329 23.756 1.00 0.00 C ATOM 246 CE1 TYR A 115 -5.938 16.172 25.741 1.00 0.00 C ATOM 247 CE2 TYR A 115 -5.698 13.897 25.037 1.00 0.00 C ATOM 248 CZ TYR A 115 -5.961 14.822 26.027 1.00 0.00 C ATOM 249 OH TYR A 115 -6.248 14.397 27.304 1.00 0.00 O ATOM 0 H TYR A 115 -7.473 16.762 20.870 1.00 0.00 H new ATOM 0 HA TYR A 115 -5.452 18.218 22.469 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -5.420 15.398 21.333 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -3.986 16.212 21.926 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -5.633 17.649 24.235 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -5.208 13.602 22.984 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -6.144 16.895 26.516 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -5.716 12.841 25.262 1.00 0.00 H new ATOM 0 HH TYR A 115 -6.225 13.418 27.336 1.00 0.00 H new ATOM 259 N ALA A 116 -3.923 18.626 20.465 1.00 0.00 N ATOM 260 CA ALA A 116 -3.221 19.112 19.282 1.00 0.00 C ATOM 261 C ALA A 116 -2.880 17.967 18.336 1.00 0.00 C ATOM 262 O ALA A 116 -2.739 16.820 18.759 1.00 0.00 O ATOM 263 CB ALA A 116 -1.960 19.862 19.683 1.00 0.00 C ATOM 0 H ALA A 116 -3.435 18.797 21.344 1.00 0.00 H new ATOM 0 HA ALA A 116 -3.884 19.798 18.756 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.448 20.218 18.789 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.226 20.712 20.311 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -1.300 19.194 20.237 1.00 0.00 H new ATOM 269 N ILE A 117 -2.749 18.288 17.053 1.00 0.00 N ATOM 270 CA ILE A 117 -2.471 17.280 16.036 1.00 0.00 C ATOM 271 C ILE A 117 -1.216 16.487 16.377 1.00 0.00 C ATOM 272 O ILE A 117 -0.253 17.031 16.915 1.00 0.00 O ATOM 273 CB ILE A 117 -2.305 17.913 14.643 1.00 0.00 C ATOM 274 CG1 ILE A 117 -1.160 18.929 14.652 1.00 0.00 C ATOM 275 CG2 ILE A 117 -3.602 18.572 14.200 1.00 0.00 C ATOM 276 CD1 ILE A 117 -0.794 19.448 13.280 1.00 0.00 C ATOM 0 H ILE A 117 -2.831 19.239 16.693 1.00 0.00 H new ATOM 0 HA ILE A 117 -3.328 16.607 16.018 1.00 0.00 H new ATOM 0 HB ILE A 117 -2.060 17.125 13.931 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -1.438 19.771 15.286 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -0.281 18.468 15.102 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -3.467 19.014 13.213 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -4.394 17.824 14.157 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -3.876 19.350 14.912 1.00 0.00 H new ATOM 0 HD11 ILE A 117 0.024 20.163 13.368 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -0.483 18.616 12.647 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -1.659 19.940 12.834 1.00 0.00 H new ATOM 288 N PRO A 118 -1.234 15.196 16.059 1.00 0.00 N ATOM 289 CA PRO A 118 -0.098 14.324 16.332 1.00 0.00 C ATOM 290 C PRO A 118 1.176 14.862 15.691 1.00 0.00 C ATOM 291 O PRO A 118 1.133 15.480 14.627 1.00 0.00 O ATOM 292 CB PRO A 118 -0.515 12.968 15.741 1.00 0.00 C ATOM 293 CG PRO A 118 -2.017 13.002 15.711 1.00 0.00 C ATOM 294 CD PRO A 118 -2.279 14.519 15.280 1.00 0.00 C ATOM 0 HA PRO A 118 0.132 14.250 17.395 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -0.103 12.830 14.741 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -0.151 12.142 16.352 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -2.431 12.292 14.995 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -2.454 12.768 16.682 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -2.163 14.672 14.207 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -3.280 14.859 15.544 1.00 0.00 H new ATOM 302 N LEU A 119 2.308 14.624 16.345 1.00 0.00 N ATOM 303 CA LEU A 119 3.599 15.048 15.820 1.00 0.00 C ATOM 304 C LEU A 119 4.383 13.869 15.259 1.00 0.00 C ATOM 305 O LEU A 119 4.449 12.805 15.877 1.00 0.00 O ATOM 306 CB LEU A 119 4.410 15.753 16.915 1.00 0.00 C ATOM 307 CG LEU A 119 3.751 17.002 17.514 1.00 0.00 C ATOM 308 CD1 LEU A 119 4.615 17.563 18.634 1.00 0.00 C ATOM 309 CD2 LEU A 119 3.540 18.040 16.423 1.00 0.00 C ATOM 0 H LEU A 119 2.357 14.139 17.241 1.00 0.00 H new ATOM 0 HA LEU A 119 3.417 15.748 15.004 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.601 15.042 17.719 1.00 0.00 H new ATOM 0 HB3 LEU A 119 5.379 16.035 16.503 1.00 0.00 H new ATOM 0 HG LEU A 119 2.781 16.734 17.934 1.00 0.00 H new ATOM 0 HD11 LEU A 119 4.138 18.449 19.052 1.00 0.00 H new ATOM 0 HD12 LEU A 119 4.732 16.811 19.415 1.00 0.00 H new ATOM 0 HD13 LEU A 119 5.595 17.831 18.238 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.072 18.927 16.850 1.00 0.00 H new ATOM 0 HD22 LEU A 119 4.502 18.311 15.988 1.00 0.00 H new ATOM 0 HD23 LEU A 119 2.895 17.627 15.648 1.00 0.00 H new ATOM 321 N TYR A 120 4.972 14.060 14.084 1.00 0.00 N ATOM 322 CA TYR A 120 5.659 12.981 13.386 1.00 0.00 C ATOM 323 C TYR A 120 7.125 13.322 13.151 1.00 0.00 C ATOM 324 O TYR A 120 7.444 14.295 12.465 1.00 0.00 O ATOM 325 CB TYR A 120 4.970 12.682 12.053 1.00 0.00 C ATOM 326 CG TYR A 120 3.497 12.364 12.181 1.00 0.00 C ATOM 327 CD1 TYR A 120 2.543 13.367 12.117 1.00 0.00 C ATOM 328 CD2 TYR A 120 3.065 11.058 12.367 1.00 0.00 C ATOM 329 CE1 TYR A 120 1.196 13.083 12.235 1.00 0.00 C ATOM 330 CE2 TYR A 120 1.722 10.762 12.485 1.00 0.00 C ATOM 331 CZ TYR A 120 0.790 11.777 12.418 1.00 0.00 C ATOM 332 OH TYR A 120 -0.551 11.486 12.535 1.00 0.00 O ATOM 0 H TYR A 120 4.987 14.955 13.594 1.00 0.00 H new ATOM 0 HA TYR A 120 5.612 12.093 14.017 1.00 0.00 H new ATOM 0 HB2 TYR A 120 5.090 13.541 11.393 1.00 0.00 H new ATOM 0 HB3 TYR A 120 5.473 11.841 11.576 1.00 0.00 H new ATOM 0 HD1 TYR A 120 2.858 14.390 11.972 1.00 0.00 H new ATOM 0 HD2 TYR A 120 3.791 10.261 12.420 1.00 0.00 H new ATOM 0 HE1 TYR A 120 0.466 13.877 12.184 1.00 0.00 H new ATOM 0 HE2 TYR A 120 1.402 9.741 12.629 1.00 0.00 H new ATOM 0 HH TYR A 120 -1.073 12.138 12.023 1.00 0.00 H new ATOM 342 N GLN A 121 8.014 12.519 13.724 1.00 0.00 N ATOM 343 CA GLN A 121 9.449 12.734 13.578 1.00 0.00 C ATOM 344 C GLN A 121 10.137 11.501 13.006 1.00 0.00 C ATOM 345 O GLN A 121 9.762 10.370 13.316 1.00 0.00 O ATOM 346 CB GLN A 121 10.077 13.097 14.926 1.00 0.00 C ATOM 347 CG GLN A 121 9.578 14.406 15.514 1.00 0.00 C ATOM 348 CD GLN A 121 10.227 14.727 16.846 1.00 0.00 C ATOM 349 OE1 GLN A 121 11.045 13.956 17.356 1.00 0.00 O ATOM 350 NE2 GLN A 121 9.865 15.869 17.420 1.00 0.00 N ATOM 0 H GLN A 121 7.766 11.711 14.295 1.00 0.00 H new ATOM 0 HA GLN A 121 9.589 13.561 12.882 1.00 0.00 H new ATOM 0 HB2 GLN A 121 9.877 12.294 15.635 1.00 0.00 H new ATOM 0 HB3 GLN A 121 11.159 13.155 14.806 1.00 0.00 H new ATOM 0 HG2 GLN A 121 9.777 15.216 14.812 1.00 0.00 H new ATOM 0 HG3 GLN A 121 8.497 14.354 15.643 1.00 0.00 H new ATOM 0 HE21 GLN A 121 9.185 16.477 16.963 1.00 0.00 H new ATOM 0 HE22 GLN A 121 10.267 16.138 18.318 1.00 0.00 H new ATOM 359 N CYS A 122 11.143 11.726 12.169 1.00 0.00 N ATOM 360 CA CYS A 122 11.892 10.632 11.561 1.00 0.00 C ATOM 361 C CYS A 122 13.390 10.799 11.787 1.00 0.00 C ATOM 362 O CYS A 122 13.892 11.918 11.877 1.00 0.00 O ATOM 363 CB CYS A 122 11.553 10.773 10.077 1.00 0.00 C ATOM 364 SG CYS A 122 9.800 10.560 9.686 1.00 0.00 S ATOM 0 H CYS A 122 11.459 12.656 11.896 1.00 0.00 H new ATOM 0 HA CYS A 122 11.638 9.657 11.977 1.00 0.00 H new ATOM 0 HB2 CYS A 122 11.871 11.758 9.736 1.00 0.00 H new ATOM 0 HB3 CYS A 122 12.130 10.039 9.514 1.00 0.00 H new ATOM 0 HG CYS A 122 9.281 9.678 10.488 1.00 0.00 H new ATOM 370 N GLN A 123 14.097 9.678 11.879 1.00 0.00 N ATOM 371 CA GLN A 123 15.531 9.697 12.144 1.00 0.00 C ATOM 372 C GLN A 123 16.258 8.657 11.302 1.00 0.00 C ATOM 373 O GLN A 123 15.844 7.500 11.232 1.00 0.00 O ATOM 374 CB GLN A 123 15.806 9.446 13.628 1.00 0.00 C ATOM 375 CG GLN A 123 17.274 9.517 14.010 1.00 0.00 C ATOM 376 CD GLN A 123 17.496 9.319 15.497 1.00 0.00 C ATOM 377 OE1 GLN A 123 16.542 9.190 16.269 1.00 0.00 O ATOM 378 NE2 GLN A 123 18.759 9.298 15.910 1.00 0.00 N ATOM 0 H GLN A 123 13.700 8.744 11.774 1.00 0.00 H new ATOM 0 HA GLN A 123 15.905 10.684 11.874 1.00 0.00 H new ATOM 0 HB2 GLN A 123 15.253 10.178 14.217 1.00 0.00 H new ATOM 0 HB3 GLN A 123 15.419 8.463 13.896 1.00 0.00 H new ATOM 0 HG2 GLN A 123 17.827 8.757 13.459 1.00 0.00 H new ATOM 0 HG3 GLN A 123 17.678 10.484 13.711 1.00 0.00 H new ATOM 0 HE21 GLN A 123 19.518 9.408 15.237 1.00 0.00 H new ATOM 0 HE22 GLN A 123 18.970 9.171 16.900 1.00 0.00 H new ATOM 387 N LYS A 124 17.348 9.075 10.665 1.00 0.00 N ATOM 388 CA LYS A 124 18.203 8.155 9.925 1.00 0.00 C ATOM 389 C LYS A 124 19.350 7.653 10.793 1.00 0.00 C ATOM 390 O LYS A 124 20.060 8.440 11.419 1.00 0.00 O ATOM 391 CB LYS A 124 18.752 8.828 8.666 1.00 0.00 C ATOM 392 CG LYS A 124 19.585 7.914 7.776 1.00 0.00 C ATOM 393 CD LYS A 124 20.102 8.655 6.553 1.00 0.00 C ATOM 394 CE LYS A 124 20.939 7.745 5.666 1.00 0.00 C ATOM 395 NZ LYS A 124 21.436 8.452 4.455 1.00 0.00 N ATOM 0 H LYS A 124 17.659 10.046 10.647 1.00 0.00 H new ATOM 0 HA LYS A 124 17.596 7.298 9.631 1.00 0.00 H new ATOM 0 HB2 LYS A 124 17.917 9.219 8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 124 19.362 9.682 8.962 1.00 0.00 H new ATOM 0 HG2 LYS A 124 20.425 7.516 8.345 1.00 0.00 H new ATOM 0 HG3 LYS A 124 18.982 7.063 7.460 1.00 0.00 H new ATOM 0 HD2 LYS A 124 19.261 9.049 5.982 1.00 0.00 H new ATOM 0 HD3 LYS A 124 20.701 9.509 6.869 1.00 0.00 H new ATOM 0 HE2 LYS A 124 21.786 7.362 6.236 1.00 0.00 H new ATOM 0 HE3 LYS A 124 20.343 6.884 5.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 22.001 7.797 3.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 20.628 8.795 3.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 22.027 9.259 4.742 1.00 0.00 H new ATOM 409 N VAL A 125 19.528 6.336 10.826 1.00 0.00 N ATOM 410 CA VAL A 125 20.524 5.718 11.693 1.00 0.00 C ATOM 411 C VAL A 125 21.632 5.062 10.881 1.00 0.00 C ATOM 412 O VAL A 125 21.378 4.164 10.078 1.00 0.00 O ATOM 413 CB VAL A 125 19.890 4.666 12.622 1.00 0.00 C ATOM 414 CG1 VAL A 125 20.954 4.011 13.490 1.00 0.00 C ATOM 415 CG2 VAL A 125 18.813 5.300 13.490 1.00 0.00 C ATOM 0 H VAL A 125 18.994 5.676 10.261 1.00 0.00 H new ATOM 0 HA VAL A 125 20.949 6.517 12.301 1.00 0.00 H new ATOM 0 HB VAL A 125 19.427 3.897 12.004 1.00 0.00 H new ATOM 0 HG11 VAL A 125 20.488 3.270 14.140 1.00 0.00 H new ATOM 0 HG12 VAL A 125 21.692 3.522 12.854 1.00 0.00 H new ATOM 0 HG13 VAL A 125 21.445 4.770 14.099 1.00 0.00 H new ATOM 0 HG21 VAL A 125 18.376 4.542 14.140 1.00 0.00 H new ATOM 0 HG22 VAL A 125 19.254 6.089 14.099 1.00 0.00 H new ATOM 0 HG23 VAL A 125 18.036 5.724 12.854 1.00 0.00 H new ATOM 425 N GLU A 126 22.863 5.515 11.092 1.00 0.00 N ATOM 426 CA GLU A 126 24.023 4.913 10.447 1.00 0.00 C ATOM 427 C GLU A 126 24.932 4.237 11.465 1.00 0.00 C ATOM 428 O GLU A 126 25.537 4.900 12.307 1.00 0.00 O ATOM 429 CB GLU A 126 24.806 5.967 9.661 1.00 0.00 C ATOM 430 CG GLU A 126 24.070 6.528 8.453 1.00 0.00 C ATOM 431 CD GLU A 126 24.928 7.498 7.691 1.00 0.00 C ATOM 432 OE1 GLU A 126 26.053 7.698 8.079 1.00 0.00 O ATOM 433 OE2 GLU A 126 24.500 7.955 6.658 1.00 0.00 O ATOM 0 H GLU A 126 23.083 6.299 11.706 1.00 0.00 H new ATOM 0 HA GLU A 126 23.661 4.152 9.756 1.00 0.00 H new ATOM 0 HB2 GLU A 126 25.058 6.789 10.331 1.00 0.00 H new ATOM 0 HB3 GLU A 126 25.746 5.529 9.327 1.00 0.00 H new ATOM 0 HG2 GLU A 126 23.770 5.711 7.796 1.00 0.00 H new ATOM 0 HG3 GLU A 126 23.157 7.026 8.780 1.00 0.00 H new ATOM 440 N THR A 127 25.022 2.915 11.383 1.00 0.00 N ATOM 441 CA THR A 127 25.769 2.135 12.364 1.00 0.00 C ATOM 442 C THR A 127 27.250 2.083 12.013 1.00 0.00 C ATOM 443 O THR A 127 27.649 2.446 10.905 1.00 0.00 O ATOM 444 CB THR A 127 25.228 0.698 12.475 1.00 0.00 C ATOM 445 OG1 THR A 127 25.473 -0.004 11.250 1.00 0.00 O ATOM 446 CG2 THR A 127 23.734 0.711 12.757 1.00 0.00 C ATOM 0 H THR A 127 24.587 2.359 10.647 1.00 0.00 H new ATOM 0 HA THR A 127 25.643 2.635 13.324 1.00 0.00 H new ATOM 0 HB THR A 127 25.738 0.197 13.297 1.00 0.00 H new ATOM 0 HG1 THR A 127 25.433 -0.970 11.413 1.00 0.00 H new ATOM 0 HG21 THR A 127 23.369 -0.313 12.832 1.00 0.00 H new ATOM 0 HG22 THR A 127 23.545 1.233 13.695 1.00 0.00 H new ATOM 0 HG23 THR A 127 23.215 1.222 11.946 1.00 0.00 H new ATOM 454 N LEU A 128 28.063 1.630 12.961 1.00 0.00 N ATOM 455 CA LEU A 128 29.495 1.477 12.734 1.00 0.00 C ATOM 456 C LEU A 128 29.775 0.387 11.707 1.00 0.00 C ATOM 457 O LEU A 128 30.874 0.309 11.155 1.00 0.00 O ATOM 458 CB LEU A 128 30.210 1.163 14.055 1.00 0.00 C ATOM 459 CG LEU A 128 30.191 2.294 15.092 1.00 0.00 C ATOM 460 CD1 LEU A 128 30.825 1.820 16.393 1.00 0.00 C ATOM 461 CD2 LEU A 128 30.933 3.502 14.539 1.00 0.00 C ATOM 0 H LEU A 128 27.754 1.362 13.895 1.00 0.00 H new ATOM 0 HA LEU A 128 29.879 2.418 12.339 1.00 0.00 H new ATOM 0 HB2 LEU A 128 29.751 0.279 14.497 1.00 0.00 H new ATOM 0 HB3 LEU A 128 31.247 0.909 13.837 1.00 0.00 H new ATOM 0 HG LEU A 128 29.160 2.580 15.300 1.00 0.00 H new ATOM 0 HD11 LEU A 128 30.807 2.630 17.123 1.00 0.00 H new ATOM 0 HD12 LEU A 128 30.266 0.969 16.781 1.00 0.00 H new ATOM 0 HD13 LEU A 128 31.857 1.522 16.207 1.00 0.00 H new ATOM 0 HD21 LEU A 128 30.920 4.306 15.275 1.00 0.00 H new ATOM 0 HD22 LEU A 128 31.965 3.227 14.321 1.00 0.00 H new ATOM 0 HD23 LEU A 128 30.447 3.840 13.624 1.00 0.00 H new ATOM 473 N GLY A 129 28.779 -0.455 11.456 1.00 0.00 N ATOM 474 CA GLY A 129 28.888 -1.488 10.435 1.00 0.00 C ATOM 475 C GLY A 129 28.442 -0.967 9.074 1.00 0.00 C ATOM 476 O GLY A 129 28.321 -1.731 8.116 1.00 0.00 O ATOM 0 H GLY A 129 27.885 -0.442 11.947 1.00 0.00 H new ATOM 0 HA2 GLY A 129 29.919 -1.835 10.374 1.00 0.00 H new ATOM 0 HA3 GLY A 129 28.278 -2.347 10.716 1.00 0.00 H new ATOM 480 N ARG A 130 28.202 0.336 8.995 1.00 0.00 N ATOM 481 CA ARG A 130 27.778 0.963 7.750 1.00 0.00 C ATOM 482 C ARG A 130 26.422 0.435 7.300 1.00 0.00 C ATOM 483 O ARG A 130 26.149 0.333 6.104 1.00 0.00 O ATOM 484 CB ARG A 130 28.822 0.823 6.652 1.00 0.00 C ATOM 485 CG ARG A 130 30.169 1.456 6.965 1.00 0.00 C ATOM 486 CD ARG A 130 31.194 1.269 5.906 1.00 0.00 C ATOM 487 NE ARG A 130 32.523 1.735 6.267 1.00 0.00 N ATOM 488 CZ ARG A 130 33.608 1.640 5.474 1.00 0.00 C ATOM 489 NH1 ARG A 130 33.537 1.062 4.295 1.00 0.00 N ATOM 490 NH2 ARG A 130 34.755 2.119 5.924 1.00 0.00 N ATOM 0 H ARG A 130 28.294 0.980 9.781 1.00 0.00 H new ATOM 0 HA ARG A 130 27.671 2.029 7.949 1.00 0.00 H new ATOM 0 HB2 ARG A 130 28.974 -0.237 6.448 1.00 0.00 H new ATOM 0 HB3 ARG A 130 28.430 1.271 5.739 1.00 0.00 H new ATOM 0 HG2 ARG A 130 30.026 2.524 7.131 1.00 0.00 H new ATOM 0 HG3 ARG A 130 30.546 1.036 7.898 1.00 0.00 H new ATOM 0 HD2 ARG A 130 31.250 0.210 5.654 1.00 0.00 H new ATOM 0 HD3 ARG A 130 30.870 1.794 5.007 1.00 0.00 H new ATOM 0 HE ARG A 130 32.642 2.164 7.185 1.00 0.00 H new ATOM 0 HH11 ARG A 130 32.651 0.677 3.968 1.00 0.00 H new ATOM 0 HH12 ARG A 130 34.368 0.999 3.707 1.00 0.00 H new ATOM 0 HH21 ARG A 130 34.801 2.546 6.849 1.00 0.00 H new ATOM 0 HH22 ARG A 130 35.594 2.061 5.346 1.00 0.00 H new ATOM 504 N VAL A 131 25.575 0.097 8.267 1.00 0.00 N ATOM 505 CA VAL A 131 24.220 -0.355 7.973 1.00 0.00 C ATOM 506 C VAL A 131 23.221 0.789 8.087 1.00 0.00 C ATOM 507 O VAL A 131 23.046 1.370 9.159 1.00 0.00 O ATOM 508 CB VAL A 131 23.789 -1.496 8.915 1.00 0.00 C ATOM 509 CG1 VAL A 131 22.363 -1.928 8.609 1.00 0.00 C ATOM 510 CG2 VAL A 131 24.740 -2.676 8.791 1.00 0.00 C ATOM 0 H VAL A 131 25.803 0.128 9.261 1.00 0.00 H new ATOM 0 HA VAL A 131 24.227 -0.725 6.948 1.00 0.00 H new ATOM 0 HB VAL A 131 23.826 -1.129 9.941 1.00 0.00 H new ATOM 0 HG11 VAL A 131 22.075 -2.734 9.283 1.00 0.00 H new ATOM 0 HG12 VAL A 131 21.689 -1.082 8.746 1.00 0.00 H new ATOM 0 HG13 VAL A 131 22.302 -2.277 7.578 1.00 0.00 H new ATOM 0 HG21 VAL A 131 24.421 -3.473 9.463 1.00 0.00 H new ATOM 0 HG22 VAL A 131 24.733 -3.043 7.765 1.00 0.00 H new ATOM 0 HG23 VAL A 131 25.749 -2.360 9.056 1.00 0.00 H new ATOM 520 N THR A 132 22.565 1.108 6.977 1.00 0.00 N ATOM 521 CA THR A 132 21.600 2.200 6.944 1.00 0.00 C ATOM 522 C THR A 132 20.231 1.740 7.424 1.00 0.00 C ATOM 523 O THR A 132 19.598 0.884 6.804 1.00 0.00 O ATOM 524 CB THR A 132 21.463 2.791 5.528 1.00 0.00 C ATOM 525 OG1 THR A 132 22.737 3.278 5.086 1.00 0.00 O ATOM 526 CG2 THR A 132 20.458 3.933 5.521 1.00 0.00 C ATOM 0 H THR A 132 22.684 0.625 6.087 1.00 0.00 H new ATOM 0 HA THR A 132 21.977 2.971 7.615 1.00 0.00 H new ATOM 0 HB THR A 132 21.112 2.008 4.856 1.00 0.00 H new ATOM 0 HG1 THR A 132 22.649 3.652 4.185 1.00 0.00 H new ATOM 0 HG21 THR A 132 20.374 4.338 4.512 1.00 0.00 H new ATOM 0 HG22 THR A 132 19.485 3.564 5.845 1.00 0.00 H new ATOM 0 HG23 THR A 132 20.793 4.717 6.200 1.00 0.00 H new ATOM 534 N GLN A 133 19.775 2.312 8.533 1.00 0.00 N ATOM 535 CA GLN A 133 18.449 2.012 9.063 1.00 0.00 C ATOM 536 C GLN A 133 17.633 3.283 9.257 1.00 0.00 C ATOM 537 O GLN A 133 18.186 4.375 9.380 1.00 0.00 O ATOM 538 CB GLN A 133 18.561 1.260 10.392 1.00 0.00 C ATOM 539 CG GLN A 133 19.284 -0.072 10.296 1.00 0.00 C ATOM 540 CD GLN A 133 19.354 -0.791 11.629 1.00 0.00 C ATOM 541 OE1 GLN A 133 18.998 -0.234 12.670 1.00 0.00 O ATOM 542 NE2 GLN A 133 19.815 -2.037 11.605 1.00 0.00 N ATOM 0 H GLN A 133 20.305 2.987 9.084 1.00 0.00 H new ATOM 0 HA GLN A 133 17.937 1.381 8.337 1.00 0.00 H new ATOM 0 HB2 GLN A 133 19.082 1.892 11.111 1.00 0.00 H new ATOM 0 HB3 GLN A 133 17.559 1.089 10.785 1.00 0.00 H new ATOM 0 HG2 GLN A 133 18.775 -0.707 9.571 1.00 0.00 H new ATOM 0 HG3 GLN A 133 20.294 0.093 9.922 1.00 0.00 H new ATOM 0 HE21 GLN A 133 20.099 -2.459 10.721 1.00 0.00 H new ATOM 0 HE22 GLN A 133 19.885 -2.572 12.471 1.00 0.00 H new ATOM 551 N PHE A 134 16.313 3.133 9.285 1.00 0.00 N ATOM 552 CA PHE A 134 15.417 4.264 9.495 1.00 0.00 C ATOM 553 C PHE A 134 14.470 4.008 10.661 1.00 0.00 C ATOM 554 O PHE A 134 13.888 2.929 10.774 1.00 0.00 O ATOM 555 CB PHE A 134 14.620 4.558 8.223 1.00 0.00 C ATOM 556 CG PHE A 134 15.449 5.126 7.106 1.00 0.00 C ATOM 557 CD1 PHE A 134 15.652 6.493 6.998 1.00 0.00 C ATOM 558 CD2 PHE A 134 16.027 4.292 6.160 1.00 0.00 C ATOM 559 CE1 PHE A 134 16.412 7.016 5.971 1.00 0.00 C ATOM 560 CE2 PHE A 134 16.789 4.812 5.131 1.00 0.00 C ATOM 561 CZ PHE A 134 16.982 6.174 5.037 1.00 0.00 C ATOM 0 H PHE A 134 15.839 2.238 9.165 1.00 0.00 H new ATOM 0 HA PHE A 134 16.028 5.133 9.738 1.00 0.00 H new ATOM 0 HB2 PHE A 134 14.148 3.637 7.880 1.00 0.00 H new ATOM 0 HB3 PHE A 134 13.819 5.258 8.461 1.00 0.00 H new ATOM 0 HD1 PHE A 134 15.210 7.157 7.726 1.00 0.00 H new ATOM 0 HD2 PHE A 134 15.880 3.224 6.228 1.00 0.00 H new ATOM 0 HE1 PHE A 134 16.561 8.083 5.898 1.00 0.00 H new ATOM 0 HE2 PHE A 134 17.233 4.152 4.401 1.00 0.00 H new ATOM 0 HZ PHE A 134 17.578 6.582 4.234 1.00 0.00 H new ATOM 571 N THR A 135 14.320 5.006 11.525 1.00 0.00 N ATOM 572 CA THR A 135 13.342 4.943 12.604 1.00 0.00 C ATOM 573 C THR A 135 12.411 6.148 12.574 1.00 0.00 C ATOM 574 O THR A 135 12.682 7.138 11.895 1.00 0.00 O ATOM 575 CB THR A 135 14.025 4.870 13.983 1.00 0.00 C ATOM 576 OG1 THR A 135 14.778 6.069 14.211 1.00 0.00 O ATOM 577 CG2 THR A 135 14.957 3.670 14.052 1.00 0.00 C ATOM 0 H THR A 135 14.864 5.869 11.499 1.00 0.00 H new ATOM 0 HA THR A 135 12.761 4.034 12.448 1.00 0.00 H new ATOM 0 HB THR A 135 13.256 4.765 14.748 1.00 0.00 H new ATOM 0 HG1 THR A 135 15.210 6.022 15.089 1.00 0.00 H new ATOM 0 HG21 THR A 135 15.431 3.634 15.033 1.00 0.00 H new ATOM 0 HG22 THR A 135 14.386 2.756 13.891 1.00 0.00 H new ATOM 0 HG23 THR A 135 15.723 3.759 13.282 1.00 0.00 H new ATOM 585 N CYS A 136 11.312 6.059 13.314 1.00 0.00 N ATOM 586 CA CYS A 136 10.333 7.140 13.369 1.00 0.00 C ATOM 587 C CYS A 136 9.518 7.079 14.654 1.00 0.00 C ATOM 588 O CYS A 136 9.246 6.000 15.178 1.00 0.00 O ATOM 589 CB CYS A 136 9.449 6.855 12.155 1.00 0.00 C ATOM 590 SG CYS A 136 8.128 8.063 11.891 1.00 0.00 S ATOM 0 H CYS A 136 11.076 5.248 13.886 1.00 0.00 H new ATOM 0 HA CYS A 136 10.787 8.131 13.357 1.00 0.00 H new ATOM 0 HB2 CYS A 136 10.076 6.821 11.264 1.00 0.00 H new ATOM 0 HB3 CYS A 136 9.003 5.867 12.269 1.00 0.00 H new ATOM 0 HG CYS A 136 8.483 9.210 12.390 1.00 0.00 H new ATOM 596 N THR A 137 9.128 8.247 15.155 1.00 0.00 N ATOM 597 CA THR A 137 8.316 8.328 16.363 1.00 0.00 C ATOM 598 C THR A 137 7.076 9.184 16.138 1.00 0.00 C ATOM 599 O THR A 137 7.096 10.126 15.346 1.00 0.00 O ATOM 600 CB THR A 137 9.117 8.906 17.545 1.00 0.00 C ATOM 601 OG1 THR A 137 9.538 10.240 17.233 1.00 0.00 O ATOM 602 CG2 THR A 137 10.339 8.046 17.832 1.00 0.00 C ATOM 0 H THR A 137 9.362 9.150 14.743 1.00 0.00 H new ATOM 0 HA THR A 137 8.012 7.309 16.604 1.00 0.00 H new ATOM 0 HB THR A 137 8.478 8.917 18.428 1.00 0.00 H new ATOM 0 HG1 THR A 137 10.046 10.607 17.986 1.00 0.00 H new ATOM 0 HG21 THR A 137 10.893 8.469 18.670 1.00 0.00 H new ATOM 0 HG22 THR A 137 10.021 7.034 18.081 1.00 0.00 H new ATOM 0 HG23 THR A 137 10.980 8.018 16.951 1.00 0.00 H new ATOM 610 N VAL A 138 5.998 8.850 16.839 1.00 0.00 N ATOM 611 CA VAL A 138 4.758 9.613 16.747 1.00 0.00 C ATOM 612 C VAL A 138 4.250 10.003 18.130 1.00 0.00 C ATOM 613 O VAL A 138 3.996 9.145 18.973 1.00 0.00 O ATOM 614 CB VAL A 138 3.661 8.821 16.011 1.00 0.00 C ATOM 615 CG1 VAL A 138 2.386 9.646 15.911 1.00 0.00 C ATOM 616 CG2 VAL A 138 4.138 8.410 14.627 1.00 0.00 C ATOM 0 H VAL A 138 5.958 8.056 17.478 1.00 0.00 H new ATOM 0 HA VAL A 138 4.984 10.515 16.178 1.00 0.00 H new ATOM 0 HB VAL A 138 3.445 7.919 16.583 1.00 0.00 H new ATOM 0 HG11 VAL A 138 1.621 9.072 15.388 1.00 0.00 H new ATOM 0 HG12 VAL A 138 2.033 9.893 16.912 1.00 0.00 H new ATOM 0 HG13 VAL A 138 2.589 10.565 15.361 1.00 0.00 H new ATOM 0 HG21 VAL A 138 3.350 7.851 14.122 1.00 0.00 H new ATOM 0 HG22 VAL A 138 4.381 9.300 14.047 1.00 0.00 H new ATOM 0 HG23 VAL A 138 5.025 7.783 14.719 1.00 0.00 H new ATOM 626 N GLU A 139 4.099 11.305 18.352 1.00 0.00 N ATOM 627 CA GLU A 139 3.598 11.811 19.624 1.00 0.00 C ATOM 628 C GLU A 139 2.123 12.179 19.528 1.00 0.00 C ATOM 629 O GLU A 139 1.735 13.023 18.720 1.00 0.00 O ATOM 630 CB GLU A 139 4.415 13.025 20.076 1.00 0.00 C ATOM 631 CG GLU A 139 3.974 13.618 21.406 1.00 0.00 C ATOM 632 CD GLU A 139 4.824 14.798 21.786 1.00 0.00 C ATOM 633 OE1 GLU A 139 5.719 15.126 21.044 1.00 0.00 O ATOM 634 OE2 GLU A 139 4.508 15.444 22.758 1.00 0.00 O ATOM 0 H GLU A 139 4.317 12.029 17.667 1.00 0.00 H new ATOM 0 HA GLU A 139 3.703 11.017 20.364 1.00 0.00 H new ATOM 0 HB2 GLU A 139 5.463 12.735 20.151 1.00 0.00 H new ATOM 0 HB3 GLU A 139 4.352 13.797 19.309 1.00 0.00 H new ATOM 0 HG2 GLU A 139 2.930 13.925 21.342 1.00 0.00 H new ATOM 0 HG3 GLU A 139 4.035 12.857 22.184 1.00 0.00 H new ATOM 641 N ILE A 140 1.305 11.540 20.357 1.00 0.00 N ATOM 642 CA ILE A 140 -0.133 11.783 20.351 1.00 0.00 C ATOM 643 C ILE A 140 -0.718 11.663 21.752 1.00 0.00 C ATOM 644 O ILE A 140 -0.513 10.660 22.437 1.00 0.00 O ATOM 645 CB ILE A 140 -0.867 10.806 19.415 1.00 0.00 C ATOM 646 CG1 ILE A 140 -2.369 11.101 19.406 1.00 0.00 C ATOM 647 CG2 ILE A 140 -0.606 9.368 19.834 1.00 0.00 C ATOM 648 CD1 ILE A 140 -3.131 10.363 18.329 1.00 0.00 C ATOM 0 H ILE A 140 1.613 10.850 21.042 1.00 0.00 H new ATOM 0 HA ILE A 140 -0.277 12.800 19.986 1.00 0.00 H new ATOM 0 HB ILE A 140 -0.484 10.942 18.404 1.00 0.00 H new ATOM 0 HG12 ILE A 140 -2.787 10.839 20.378 1.00 0.00 H new ATOM 0 HG13 ILE A 140 -2.518 12.173 19.274 1.00 0.00 H new ATOM 0 HG21 ILE A 140 -1.133 8.692 19.161 1.00 0.00 H new ATOM 0 HG22 ILE A 140 0.464 9.164 19.789 1.00 0.00 H new ATOM 0 HG23 ILE A 140 -0.962 9.216 20.853 1.00 0.00 H new ATOM 0 HD11 ILE A 140 -4.188 10.624 18.387 1.00 0.00 H new ATOM 0 HD12 ILE A 140 -2.741 10.643 17.350 1.00 0.00 H new ATOM 0 HD13 ILE A 140 -3.014 9.289 18.472 1.00 0.00 H new ATOM 660 N GLY A 141 -1.444 12.691 22.176 1.00 0.00 N ATOM 661 CA GLY A 141 -2.057 12.704 23.499 1.00 0.00 C ATOM 662 C GLY A 141 -1.020 12.959 24.584 1.00 0.00 C ATOM 663 O GLY A 141 -1.257 12.685 25.761 1.00 0.00 O ATOM 0 H GLY A 141 -1.623 13.528 21.621 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -2.826 13.475 23.539 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -2.552 11.751 23.683 1.00 0.00 H new ATOM 667 N GLY A 142 0.133 13.486 24.183 1.00 0.00 N ATOM 668 CA GLY A 142 1.244 13.693 25.104 1.00 0.00 C ATOM 669 C GLY A 142 2.026 12.403 25.320 1.00 0.00 C ATOM 670 O GLY A 142 2.901 12.335 26.184 1.00 0.00 O ATOM 0 H GLY A 142 0.322 13.778 23.224 1.00 0.00 H new ATOM 0 HA2 GLY A 142 1.908 14.463 24.710 1.00 0.00 H new ATOM 0 HA3 GLY A 142 0.865 14.057 26.059 1.00 0.00 H new ATOM 674 N ILE A 143 1.707 11.383 24.532 1.00 0.00 N ATOM 675 CA ILE A 143 2.366 10.088 24.650 1.00 0.00 C ATOM 676 C ILE A 143 3.141 9.748 23.381 1.00 0.00 C ATOM 677 O ILE A 143 2.563 9.636 22.301 1.00 0.00 O ATOM 678 CB ILE A 143 1.357 8.964 24.941 1.00 0.00 C ATOM 679 CG1 ILE A 143 0.591 9.255 26.234 1.00 0.00 C ATOM 680 CG2 ILE A 143 2.066 7.621 25.029 1.00 0.00 C ATOM 681 CD1 ILE A 143 -0.571 8.320 26.480 1.00 0.00 C ATOM 0 H ILE A 143 0.995 11.428 23.803 1.00 0.00 H new ATOM 0 HA ILE A 143 3.060 10.164 25.487 1.00 0.00 H new ATOM 0 HB ILE A 143 0.641 8.920 24.120 1.00 0.00 H new ATOM 0 HG12 ILE A 143 1.281 9.191 27.076 1.00 0.00 H new ATOM 0 HG13 ILE A 143 0.220 10.280 26.203 1.00 0.00 H new ATOM 0 HG21 ILE A 143 1.337 6.837 25.235 1.00 0.00 H new ATOM 0 HG22 ILE A 143 2.566 7.411 24.084 1.00 0.00 H new ATOM 0 HG23 ILE A 143 2.803 7.651 25.831 1.00 0.00 H new ATOM 0 HD11 ILE A 143 -1.063 8.590 27.414 1.00 0.00 H new ATOM 0 HD12 ILE A 143 -1.283 8.400 25.658 1.00 0.00 H new ATOM 0 HD13 ILE A 143 -0.206 7.295 26.545 1.00 0.00 H new ATOM 693 N LYS A 144 4.452 9.586 23.522 1.00 0.00 N ATOM 694 CA LYS A 144 5.311 9.275 22.385 1.00 0.00 C ATOM 695 C LYS A 144 5.318 7.781 22.092 1.00 0.00 C ATOM 696 O LYS A 144 5.476 6.961 22.997 1.00 0.00 O ATOM 697 CB LYS A 144 6.736 9.768 22.640 1.00 0.00 C ATOM 698 CG LYS A 144 6.877 11.283 22.693 1.00 0.00 C ATOM 699 CD LYS A 144 8.318 11.696 22.952 1.00 0.00 C ATOM 700 CE LYS A 144 8.455 13.209 23.036 1.00 0.00 C ATOM 701 NZ LYS A 144 9.860 13.627 23.299 1.00 0.00 N ATOM 0 H LYS A 144 4.943 9.665 24.412 1.00 0.00 H new ATOM 0 HA LYS A 144 4.909 9.791 21.513 1.00 0.00 H new ATOM 0 HB2 LYS A 144 7.089 9.349 23.582 1.00 0.00 H new ATOM 0 HB3 LYS A 144 7.387 9.382 21.856 1.00 0.00 H new ATOM 0 HG2 LYS A 144 6.536 11.715 21.752 1.00 0.00 H new ATOM 0 HG3 LYS A 144 6.235 11.683 23.478 1.00 0.00 H new ATOM 0 HD2 LYS A 144 8.666 11.245 23.882 1.00 0.00 H new ATOM 0 HD3 LYS A 144 8.956 11.315 22.155 1.00 0.00 H new ATOM 0 HE2 LYS A 144 8.112 13.657 22.103 1.00 0.00 H new ATOM 0 HE3 LYS A 144 7.809 13.588 23.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 9.910 14.665 23.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 10.180 13.221 24.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 10.473 13.288 22.530 1.00 0.00 H new ATOM 715 N TYR A 145 5.147 7.430 20.821 1.00 0.00 N ATOM 716 CA TYR A 145 5.236 6.040 20.391 1.00 0.00 C ATOM 717 C TYR A 145 6.366 5.845 19.388 1.00 0.00 C ATOM 718 O TYR A 145 6.330 6.389 18.284 1.00 0.00 O ATOM 719 CB TYR A 145 3.909 5.584 19.781 1.00 0.00 C ATOM 720 CG TYR A 145 2.798 5.405 20.792 1.00 0.00 C ATOM 721 CD1 TYR A 145 2.607 4.189 21.430 1.00 0.00 C ATOM 722 CD2 TYR A 145 1.943 6.452 21.104 1.00 0.00 C ATOM 723 CE1 TYR A 145 1.595 4.019 22.354 1.00 0.00 C ATOM 724 CE2 TYR A 145 0.928 6.295 22.028 1.00 0.00 C ATOM 725 CZ TYR A 145 0.757 5.075 22.651 1.00 0.00 C ATOM 726 OH TYR A 145 -0.254 4.912 23.570 1.00 0.00 O ATOM 0 H TYR A 145 4.946 8.091 20.070 1.00 0.00 H new ATOM 0 HA TYR A 145 5.451 5.432 21.270 1.00 0.00 H new ATOM 0 HB2 TYR A 145 3.594 6.314 19.035 1.00 0.00 H new ATOM 0 HB3 TYR A 145 4.066 4.641 19.258 1.00 0.00 H new ATOM 0 HD1 TYR A 145 3.261 3.361 21.200 1.00 0.00 H new ATOM 0 HD2 TYR A 145 2.073 7.407 20.616 1.00 0.00 H new ATOM 0 HE1 TYR A 145 1.460 3.065 22.842 1.00 0.00 H new ATOM 0 HE2 TYR A 145 0.273 7.121 22.261 1.00 0.00 H new ATOM 0 HH TYR A 145 -0.750 5.752 23.663 1.00 0.00 H new ATOM 736 N THR A 146 7.369 5.066 19.780 1.00 0.00 N ATOM 737 CA THR A 146 8.497 4.771 18.904 1.00 0.00 C ATOM 738 C THR A 146 8.250 3.499 18.102 1.00 0.00 C ATOM 739 O THR A 146 7.978 2.440 18.666 1.00 0.00 O ATOM 740 CB THR A 146 9.806 4.618 19.700 1.00 0.00 C ATOM 741 OG1 THR A 146 10.075 5.829 20.417 1.00 0.00 O ATOM 742 CG2 THR A 146 10.967 4.319 18.763 1.00 0.00 C ATOM 0 H THR A 146 7.424 4.627 20.699 1.00 0.00 H new ATOM 0 HA THR A 146 8.595 5.615 18.222 1.00 0.00 H new ATOM 0 HB THR A 146 9.695 3.790 20.400 1.00 0.00 H new ATOM 0 HG1 THR A 146 10.907 5.730 20.925 1.00 0.00 H new ATOM 0 HG21 THR A 146 11.884 4.214 19.342 1.00 0.00 H new ATOM 0 HG22 THR A 146 10.770 3.392 18.224 1.00 0.00 H new ATOM 0 HG23 THR A 146 11.079 5.136 18.051 1.00 0.00 H new ATOM 750 N GLY A 147 8.350 3.610 16.781 1.00 0.00 N ATOM 751 CA GLY A 147 8.125 2.473 15.897 1.00 0.00 C ATOM 752 C GLY A 147 9.375 1.615 15.773 1.00 0.00 C ATOM 753 O GLY A 147 10.447 1.989 16.253 1.00 0.00 O ATOM 0 H GLY A 147 8.586 4.478 16.299 1.00 0.00 H new ATOM 0 HA2 GLY A 147 7.303 1.869 16.280 1.00 0.00 H new ATOM 0 HA3 GLY A 147 7.826 2.829 14.911 1.00 0.00 H new ATOM 757 N ALA A 148 9.236 0.462 15.129 1.00 0.00 N ATOM 758 CA ALA A 148 10.360 -0.444 14.924 1.00 0.00 C ATOM 759 C ALA A 148 11.264 0.046 13.800 1.00 0.00 C ATOM 760 O ALA A 148 10.796 0.629 12.823 1.00 0.00 O ATOM 761 CB ALA A 148 9.863 -1.850 14.632 1.00 0.00 C ATOM 0 H ALA A 148 8.353 0.132 14.739 1.00 0.00 H new ATOM 0 HA ALA A 148 10.947 -0.465 15.842 1.00 0.00 H new ATOM 0 HB1 ALA A 148 10.715 -2.513 14.482 1.00 0.00 H new ATOM 0 HB2 ALA A 148 9.269 -2.208 15.473 1.00 0.00 H new ATOM 0 HB3 ALA A 148 9.248 -1.839 13.732 1.00 0.00 H new ATOM 767 N ALA A 149 12.563 -0.195 13.944 1.00 0.00 N ATOM 768 CA ALA A 149 13.530 0.177 12.918 1.00 0.00 C ATOM 769 C ALA A 149 13.329 -0.643 11.650 1.00 0.00 C ATOM 770 O ALA A 149 13.100 -1.851 11.710 1.00 0.00 O ATOM 771 CB ALA A 149 14.948 0.008 13.441 1.00 0.00 C ATOM 0 H ALA A 149 12.971 -0.647 14.763 1.00 0.00 H new ATOM 0 HA ALA A 149 13.371 1.226 12.668 1.00 0.00 H new ATOM 0 HB1 ALA A 149 15.658 0.290 12.664 1.00 0.00 H new ATOM 0 HB2 ALA A 149 15.093 0.646 14.313 1.00 0.00 H new ATOM 0 HB3 ALA A 149 15.111 -1.033 13.722 1.00 0.00 H new ATOM 777 N THR A 150 13.418 0.021 10.503 1.00 0.00 N ATOM 778 CA THR A 150 13.219 -0.639 9.218 1.00 0.00 C ATOM 779 C THR A 150 14.318 -0.265 8.230 1.00 0.00 C ATOM 780 O THR A 150 15.183 0.557 8.533 1.00 0.00 O ATOM 781 CB THR A 150 11.850 -0.284 8.607 1.00 0.00 C ATOM 782 OG1 THR A 150 11.811 1.113 8.296 1.00 0.00 O ATOM 783 CG2 THR A 150 10.730 -0.616 9.580 1.00 0.00 C ATOM 0 H THR A 150 13.627 1.017 10.437 1.00 0.00 H new ATOM 0 HA THR A 150 13.255 -1.712 9.407 1.00 0.00 H new ATOM 0 HB THR A 150 11.712 -0.869 7.698 1.00 0.00 H new ATOM 0 HG1 THR A 150 12.074 1.248 7.362 1.00 0.00 H new ATOM 0 HG21 THR A 150 9.770 -0.359 9.132 1.00 0.00 H new ATOM 0 HG22 THR A 150 10.750 -1.682 9.808 1.00 0.00 H new ATOM 0 HG23 THR A 150 10.866 -0.046 10.499 1.00 0.00 H new ATOM 791 N ARG A 151 14.277 -0.874 7.050 1.00 0.00 N ATOM 792 CA ARG A 151 15.309 -0.660 6.043 1.00 0.00 C ATOM 793 C ARG A 151 15.082 0.645 5.291 1.00 0.00 C ATOM 794 O ARG A 151 16.025 1.250 4.780 1.00 0.00 O ATOM 795 CB ARG A 151 15.429 -1.838 5.088 1.00 0.00 C ATOM 796 CG ARG A 151 15.997 -3.106 5.705 1.00 0.00 C ATOM 797 CD ARG A 151 16.107 -4.250 4.764 1.00 0.00 C ATOM 798 NE ARG A 151 16.661 -5.460 5.347 1.00 0.00 N ATOM 799 CZ ARG A 151 16.685 -6.662 4.739 1.00 0.00 C ATOM 800 NH1 ARG A 151 16.154 -6.829 3.548 1.00 0.00 N ATOM 801 NH2 ARG A 151 17.234 -7.677 5.382 1.00 0.00 N ATOM 0 H ARG A 151 13.540 -1.520 6.768 1.00 0.00 H new ATOM 0 HA ARG A 151 16.260 -0.581 6.569 1.00 0.00 H new ATOM 0 HB2 ARG A 151 14.442 -2.060 4.681 1.00 0.00 H new ATOM 0 HB3 ARG A 151 16.061 -1.545 4.250 1.00 0.00 H new ATOM 0 HG2 ARG A 151 16.985 -2.888 6.109 1.00 0.00 H new ATOM 0 HG3 ARG A 151 15.367 -3.401 6.544 1.00 0.00 H new ATOM 0 HD2 ARG A 151 15.117 -4.474 4.367 1.00 0.00 H new ATOM 0 HD3 ARG A 151 16.729 -3.951 3.920 1.00 0.00 H new ATOM 0 HE ARG A 151 17.060 -5.395 6.283 1.00 0.00 H new ATOM 0 HH11 ARG A 151 15.715 -6.042 3.070 1.00 0.00 H new ATOM 0 HH12 ARG A 151 16.181 -7.746 3.102 1.00 0.00 H new ATOM 0 HH21 ARG A 151 17.625 -7.539 6.314 1.00 0.00 H new ATOM 0 HH22 ARG A 151 17.267 -8.599 4.947 1.00 0.00 H new ATOM 815 N THR A 152 13.826 1.077 5.230 1.00 0.00 N ATOM 816 CA THR A 152 13.469 2.289 4.502 1.00 0.00 C ATOM 817 C THR A 152 12.713 3.265 5.395 1.00 0.00 C ATOM 818 O THR A 152 12.166 2.878 6.429 1.00 0.00 O ATOM 819 CB THR A 152 12.609 1.972 3.264 1.00 0.00 C ATOM 820 OG1 THR A 152 11.367 1.390 3.679 1.00 0.00 O ATOM 821 CG2 THR A 152 13.336 1.004 2.344 1.00 0.00 C ATOM 0 H THR A 152 13.039 0.606 5.676 1.00 0.00 H new ATOM 0 HA THR A 152 14.403 2.746 4.177 1.00 0.00 H new ATOM 0 HB THR A 152 12.421 2.899 2.723 1.00 0.00 H new ATOM 0 HG1 THR A 152 11.478 0.422 3.783 1.00 0.00 H new ATOM 0 HG21 THR A 152 12.714 0.791 1.475 1.00 0.00 H new ATOM 0 HG22 THR A 152 14.276 1.449 2.017 1.00 0.00 H new ATOM 0 HG23 THR A 152 13.540 0.077 2.880 1.00 0.00 H new ATOM 829 N LYS A 153 12.688 4.530 4.992 1.00 0.00 N ATOM 830 CA LYS A 153 11.979 5.559 5.743 1.00 0.00 C ATOM 831 C LYS A 153 10.473 5.342 5.688 1.00 0.00 C ATOM 832 O LYS A 153 9.764 5.582 6.667 1.00 0.00 O ATOM 833 CB LYS A 153 12.330 6.950 5.209 1.00 0.00 C ATOM 834 CG LYS A 153 11.684 8.098 5.973 1.00 0.00 C ATOM 835 CD LYS A 153 12.152 9.446 5.445 1.00 0.00 C ATOM 836 CE LYS A 153 11.496 10.594 6.198 1.00 0.00 C ATOM 837 NZ LYS A 153 11.937 11.920 5.684 1.00 0.00 N ATOM 0 H LYS A 153 13.151 4.868 4.148 1.00 0.00 H new ATOM 0 HA LYS A 153 12.295 5.489 6.784 1.00 0.00 H new ATOM 0 HB2 LYS A 153 13.413 7.074 5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 153 12.029 7.011 4.163 1.00 0.00 H new ATOM 0 HG2 LYS A 153 10.599 8.029 5.889 1.00 0.00 H new ATOM 0 HG3 LYS A 153 11.928 8.015 7.032 1.00 0.00 H new ATOM 0 HD2 LYS A 153 13.235 9.519 5.539 1.00 0.00 H new ATOM 0 HD3 LYS A 153 11.918 9.524 4.383 1.00 0.00 H new ATOM 0 HE2 LYS A 153 10.413 10.513 6.111 1.00 0.00 H new ATOM 0 HE3 LYS A 153 11.737 10.517 7.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 11.467 12.675 6.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 12.968 12.008 5.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 11.684 12.004 4.679 1.00 0.00 H new ATOM 851 N LYS A 154 9.986 4.887 4.539 1.00 0.00 N ATOM 852 CA LYS A 154 8.567 4.607 4.364 1.00 0.00 C ATOM 853 C LYS A 154 8.098 3.517 5.321 1.00 0.00 C ATOM 854 O LYS A 154 7.071 3.660 5.984 1.00 0.00 O ATOM 855 CB LYS A 154 8.274 4.198 2.919 1.00 0.00 C ATOM 856 CG LYS A 154 8.417 5.325 1.906 1.00 0.00 C ATOM 857 CD LYS A 154 8.127 4.839 0.493 1.00 0.00 C ATOM 858 CE LYS A 154 8.305 5.956 -0.525 1.00 0.00 C ATOM 859 NZ LYS A 154 8.064 5.485 -1.915 1.00 0.00 N ATOM 0 H LYS A 154 10.556 4.704 3.713 1.00 0.00 H new ATOM 0 HA LYS A 154 8.018 5.521 4.591 1.00 0.00 H new ATOM 0 HB2 LYS A 154 8.947 3.387 2.640 1.00 0.00 H new ATOM 0 HB3 LYS A 154 7.260 3.803 2.864 1.00 0.00 H new ATOM 0 HG2 LYS A 154 7.734 6.135 2.161 1.00 0.00 H new ATOM 0 HG3 LYS A 154 9.427 5.733 1.953 1.00 0.00 H new ATOM 0 HD2 LYS A 154 8.792 4.011 0.247 1.00 0.00 H new ATOM 0 HD3 LYS A 154 7.108 4.455 0.440 1.00 0.00 H new ATOM 0 HE2 LYS A 154 7.618 6.770 -0.294 1.00 0.00 H new ATOM 0 HE3 LYS A 154 9.315 6.359 -0.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 8.195 6.276 -2.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 8.736 4.725 -2.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 7.092 5.124 -1.996 1.00 0.00 H new ATOM 873 N ASP A 155 8.859 2.430 5.389 1.00 0.00 N ATOM 874 CA ASP A 155 8.551 1.336 6.301 1.00 0.00 C ATOM 875 C ASP A 155 8.628 1.790 7.754 1.00 0.00 C ATOM 876 O ASP A 155 7.852 1.340 8.597 1.00 0.00 O ATOM 877 CB ASP A 155 9.502 0.159 6.069 1.00 0.00 C ATOM 878 CG ASP A 155 9.222 -0.635 4.800 1.00 0.00 C ATOM 879 OD1 ASP A 155 8.166 -0.467 4.240 1.00 0.00 O ATOM 880 OD2 ASP A 155 10.121 -1.280 4.317 1.00 0.00 O ATOM 0 H ASP A 155 9.694 2.284 4.822 1.00 0.00 H new ATOM 0 HA ASP A 155 7.530 1.013 6.098 1.00 0.00 H new ATOM 0 HB2 ASP A 155 10.524 0.536 6.029 1.00 0.00 H new ATOM 0 HB3 ASP A 155 9.443 -0.514 6.925 1.00 0.00 H new ATOM 885 N ALA A 156 9.566 2.686 8.039 1.00 0.00 N ATOM 886 CA ALA A 156 9.699 3.259 9.374 1.00 0.00 C ATOM 887 C ALA A 156 8.440 4.016 9.775 1.00 0.00 C ATOM 888 O ALA A 156 7.977 3.912 10.912 1.00 0.00 O ATOM 889 CB ALA A 156 10.914 4.170 9.442 1.00 0.00 C ATOM 0 H ALA A 156 10.247 3.032 7.363 1.00 0.00 H new ATOM 0 HA ALA A 156 9.837 2.440 10.080 1.00 0.00 H new ATOM 0 HB1 ALA A 156 10.999 4.589 10.445 1.00 0.00 H new ATOM 0 HB2 ALA A 156 11.812 3.597 9.211 1.00 0.00 H new ATOM 0 HB3 ALA A 156 10.804 4.978 8.719 1.00 0.00 H new ATOM 895 N GLU A 157 7.891 4.779 8.837 1.00 0.00 N ATOM 896 CA GLU A 157 6.663 5.528 9.082 1.00 0.00 C ATOM 897 C GLU A 157 5.475 4.593 9.269 1.00 0.00 C ATOM 898 O GLU A 157 4.587 4.857 10.081 1.00 0.00 O ATOM 899 CB GLU A 157 6.390 6.500 7.931 1.00 0.00 C ATOM 900 CG GLU A 157 7.355 7.675 7.859 1.00 0.00 C ATOM 901 CD GLU A 157 7.093 8.524 6.646 1.00 0.00 C ATOM 902 OE1 GLU A 157 6.242 8.166 5.867 1.00 0.00 O ATOM 903 OE2 GLU A 157 7.662 9.586 6.555 1.00 0.00 O ATOM 0 H GLU A 157 8.276 4.896 7.900 1.00 0.00 H new ATOM 0 HA GLU A 157 6.798 6.096 10.002 1.00 0.00 H new ATOM 0 HB2 GLU A 157 6.433 5.951 6.990 1.00 0.00 H new ATOM 0 HB3 GLU A 157 5.375 6.885 8.029 1.00 0.00 H new ATOM 0 HG2 GLU A 157 7.259 8.283 8.759 1.00 0.00 H new ATOM 0 HG3 GLU A 157 8.380 7.305 7.832 1.00 0.00 H new ATOM 910 N ILE A 158 5.464 3.500 8.514 1.00 0.00 N ATOM 911 CA ILE A 158 4.424 2.487 8.648 1.00 0.00 C ATOM 912 C ILE A 158 4.439 1.861 10.037 1.00 0.00 C ATOM 913 O ILE A 158 3.398 1.724 10.677 1.00 0.00 O ATOM 914 CB ILE A 158 4.578 1.376 7.593 1.00 0.00 C ATOM 915 CG1 ILE A 158 4.292 1.925 6.193 1.00 0.00 C ATOM 916 CG2 ILE A 158 3.655 0.210 7.909 1.00 0.00 C ATOM 917 CD1 ILE A 158 4.686 0.985 5.077 1.00 0.00 C ATOM 0 H ILE A 158 6.164 3.293 7.802 1.00 0.00 H new ATOM 0 HA ILE A 158 3.471 2.993 8.492 1.00 0.00 H new ATOM 0 HB ILE A 158 5.606 1.016 7.618 1.00 0.00 H new ATOM 0 HG12 ILE A 158 3.228 2.147 6.110 1.00 0.00 H new ATOM 0 HG13 ILE A 158 4.825 2.868 6.067 1.00 0.00 H new ATOM 0 HG21 ILE A 158 3.777 -0.566 7.153 1.00 0.00 H new ATOM 0 HG22 ILE A 158 3.904 -0.196 8.889 1.00 0.00 H new ATOM 0 HG23 ILE A 158 2.621 0.555 7.911 1.00 0.00 H new ATOM 0 HD11 ILE A 158 4.453 1.443 4.116 1.00 0.00 H new ATOM 0 HD12 ILE A 158 5.756 0.782 5.132 1.00 0.00 H new ATOM 0 HD13 ILE A 158 4.134 0.050 5.177 1.00 0.00 H new ATOM 929 N SER A 159 5.628 1.485 10.497 1.00 0.00 N ATOM 930 CA SER A 159 5.774 0.820 11.785 1.00 0.00 C ATOM 931 C SER A 159 5.452 1.766 12.934 1.00 0.00 C ATOM 932 O SER A 159 4.870 1.362 13.941 1.00 0.00 O ATOM 933 CB SER A 159 7.179 0.269 11.932 1.00 0.00 C ATOM 934 OG SER A 159 8.140 1.286 11.984 1.00 0.00 O ATOM 0 H SER A 159 6.504 1.630 9.996 1.00 0.00 H new ATOM 0 HA SER A 159 5.063 -0.006 11.823 1.00 0.00 H new ATOM 0 HB2 SER A 159 7.239 -0.333 12.839 1.00 0.00 H new ATOM 0 HB3 SER A 159 7.398 -0.394 11.095 1.00 0.00 H new ATOM 0 HG SER A 159 8.998 0.911 12.272 1.00 0.00 H new ATOM 940 N ALA A 160 5.836 3.029 12.778 1.00 0.00 N ATOM 941 CA ALA A 160 5.563 4.044 13.790 1.00 0.00 C ATOM 942 C ALA A 160 4.073 4.350 13.873 1.00 0.00 C ATOM 943 O ALA A 160 3.517 4.483 14.964 1.00 0.00 O ATOM 944 CB ALA A 160 6.352 5.310 13.497 1.00 0.00 C ATOM 0 H ALA A 160 6.338 3.374 11.960 1.00 0.00 H new ATOM 0 HA ALA A 160 5.879 3.651 14.756 1.00 0.00 H new ATOM 0 HB1 ALA A 160 6.137 6.057 14.261 1.00 0.00 H new ATOM 0 HB2 ALA A 160 7.418 5.083 13.501 1.00 0.00 H new ATOM 0 HB3 ALA A 160 6.067 5.698 12.519 1.00 0.00 H new ATOM 950 N GLY A 161 3.431 4.461 12.716 1.00 0.00 N ATOM 951 CA GLY A 161 1.999 4.731 12.656 1.00 0.00 C ATOM 952 C GLY A 161 1.199 3.609 13.308 1.00 0.00 C ATOM 953 O GLY A 161 0.313 3.860 14.126 1.00 0.00 O ATOM 0 H GLY A 161 3.880 4.368 11.805 1.00 0.00 H new ATOM 0 HA2 GLY A 161 1.783 5.674 13.157 1.00 0.00 H new ATOM 0 HA3 GLY A 161 1.691 4.845 11.617 1.00 0.00 H new ATOM 957 N ARG A 162 1.517 2.373 12.942 1.00 0.00 N ATOM 958 CA ARG A 162 0.828 1.211 13.489 1.00 0.00 C ATOM 959 C ARG A 162 0.889 1.199 15.011 1.00 0.00 C ATOM 960 O ARG A 162 -0.110 0.937 15.680 1.00 0.00 O ATOM 961 CB ARG A 162 1.345 -0.094 12.900 1.00 0.00 C ATOM 962 CG ARG A 162 0.942 -0.348 11.456 1.00 0.00 C ATOM 963 CD ARG A 162 1.511 -1.589 10.872 1.00 0.00 C ATOM 964 NE ARG A 162 1.132 -1.833 9.489 1.00 0.00 N ATOM 965 CZ ARG A 162 1.591 -2.854 8.738 1.00 0.00 C ATOM 966 NH1 ARG A 162 2.473 -3.703 9.217 1.00 0.00 N ATOM 967 NH2 ARG A 162 1.149 -2.963 7.498 1.00 0.00 N ATOM 0 H ARG A 162 2.249 2.150 12.268 1.00 0.00 H new ATOM 0 HA ARG A 162 -0.219 1.294 13.198 1.00 0.00 H new ATOM 0 HB2 ARG A 162 2.433 -0.099 12.965 1.00 0.00 H new ATOM 0 HB3 ARG A 162 0.985 -0.920 13.513 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -0.145 -0.398 11.398 1.00 0.00 H new ATOM 0 HG3 ARG A 162 1.254 0.502 10.849 1.00 0.00 H new ATOM 0 HD2 ARG A 162 2.598 -1.540 10.934 1.00 0.00 H new ATOM 0 HD3 ARG A 162 1.195 -2.439 11.477 1.00 0.00 H new ATOM 0 HE ARG A 162 0.472 -1.186 9.057 1.00 0.00 H new ATOM 0 HH11 ARG A 162 2.820 -3.594 10.170 1.00 0.00 H new ATOM 0 HH12 ARG A 162 2.810 -4.470 8.636 1.00 0.00 H new ATOM 0 HH21 ARG A 162 0.479 -2.285 7.134 1.00 0.00 H new ATOM 0 HH22 ARG A 162 1.478 -3.725 6.905 1.00 0.00 H new ATOM 981 N THR A 163 2.068 1.484 15.552 1.00 0.00 N ATOM 982 CA THR A 163 2.261 1.516 16.997 1.00 0.00 C ATOM 983 C THR A 163 1.488 2.666 17.631 1.00 0.00 C ATOM 984 O THR A 163 0.914 2.520 18.710 1.00 0.00 O ATOM 985 CB THR A 163 3.750 1.646 17.367 1.00 0.00 C ATOM 986 OG1 THR A 163 4.469 0.509 16.870 1.00 0.00 O ATOM 987 CG2 THR A 163 3.920 1.728 18.876 1.00 0.00 C ATOM 0 H THR A 163 2.906 1.697 15.011 1.00 0.00 H new ATOM 0 HA THR A 163 1.882 0.570 17.384 1.00 0.00 H new ATOM 0 HB THR A 163 4.142 2.558 16.918 1.00 0.00 H new ATOM 0 HG1 THR A 163 4.685 0.647 15.924 1.00 0.00 H new ATOM 0 HG21 THR A 163 4.979 1.819 19.118 1.00 0.00 H new ATOM 0 HG22 THR A 163 3.384 2.598 19.256 1.00 0.00 H new ATOM 0 HG23 THR A 163 3.519 0.825 19.337 1.00 0.00 H new ATOM 995 N ALA A 164 1.480 3.809 16.954 1.00 0.00 N ATOM 996 CA ALA A 164 0.812 4.998 17.469 1.00 0.00 C ATOM 997 C ALA A 164 -0.697 4.794 17.545 1.00 0.00 C ATOM 998 O ALA A 164 -1.361 5.329 18.432 1.00 0.00 O ATOM 999 CB ALA A 164 1.141 6.207 16.608 1.00 0.00 C ATOM 0 H ALA A 164 1.929 3.937 16.047 1.00 0.00 H new ATOM 0 HA ALA A 164 1.178 5.177 18.480 1.00 0.00 H new ATOM 0 HB1 ALA A 164 0.634 7.086 17.006 1.00 0.00 H new ATOM 0 HB2 ALA A 164 2.218 6.375 16.613 1.00 0.00 H new ATOM 0 HB3 ALA A 164 0.807 6.028 15.586 1.00 0.00 H new ATOM 1005 N LEU A 165 -1.231 4.016 16.609 1.00 0.00 N ATOM 1006 CA LEU A 165 -2.666 3.763 16.552 1.00 0.00 C ATOM 1007 C LEU A 165 -3.162 3.111 17.837 1.00 0.00 C ATOM 1008 O LEU A 165 -4.344 3.195 18.168 1.00 0.00 O ATOM 1009 CB LEU A 165 -2.999 2.881 15.342 1.00 0.00 C ATOM 1010 CG LEU A 165 -2.857 3.564 13.976 1.00 0.00 C ATOM 1011 CD1 LEU A 165 -3.044 2.544 12.861 1.00 0.00 C ATOM 1012 CD2 LEU A 165 -3.879 4.684 13.859 1.00 0.00 C ATOM 0 H LEU A 165 -0.691 3.550 15.880 1.00 0.00 H new ATOM 0 HA LEU A 165 -3.176 4.720 16.444 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -2.350 2.005 15.362 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -4.023 2.521 15.446 1.00 0.00 H new ATOM 0 HG LEU A 165 -1.858 3.990 13.884 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -2.941 3.038 11.895 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -2.288 1.764 12.951 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -4.036 2.099 12.937 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -3.778 5.169 12.888 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -4.883 4.272 13.956 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -3.710 5.415 14.649 1.00 0.00 H new