USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=18 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 -36:sc= 1.29 USER MOD Set 1.2: A 136 CYS SG : rot 150:sc= 0.557 USER MOD Set 2.1: A 109 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 113 MET CE :methyl -166:sc=-0.00656 (180deg=-0.218) USER MOD Single : A 102 CYS SG : rot -166:sc= -0.213 USER MOD Single : A 103 LYS NZ :NH3+ -162:sc= 0.0141 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.0273 K(o=-0.027,f=-1.3!) USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 111 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc=-0.00265 K(o=-0.0027,f=-0.95) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 123 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 THR OG1 : rot 160:sc= 0.244 USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 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 99:sc=-0.00151 USER MOD Single : A 152 THR OG1 : rot -83:sc= 0.251 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 140:sc= 0.616 USER MOD Single : A 163 THR OG1 : rot 72:sc= -0.0582 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 101 -4.019 6.473 6.932 1.00 0.00 N ATOM 2 CA LEU A 101 -5.317 6.257 7.558 1.00 0.00 C ATOM 3 C LEU A 101 -5.208 6.285 9.077 1.00 0.00 C ATOM 4 O LEU A 101 -6.056 6.859 9.760 1.00 0.00 O ATOM 5 CB LEU A 101 -5.917 4.924 7.091 1.00 0.00 C ATOM 6 CG LEU A 101 -6.356 4.886 5.621 1.00 0.00 C ATOM 7 CD1 LEU A 101 -6.758 3.469 5.234 1.00 0.00 C ATOM 8 CD2 LEU A 101 -7.512 5.852 5.410 1.00 0.00 C ATOM 0 HA LEU A 101 -5.978 7.069 7.253 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.182 4.136 7.255 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.778 4.692 7.717 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.525 5.191 4.985 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -7.068 3.451 4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -5.909 2.799 5.372 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -7.585 3.141 5.864 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.823 5.824 4.366 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.349 5.563 6.046 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.194 6.862 5.667 1.00 0.00 H new ATOM 20 N CYS A 102 -4.158 5.661 9.601 1.00 0.00 N ATOM 21 CA CYS A 102 -3.910 5.653 11.038 1.00 0.00 C ATOM 22 C CYS A 102 -3.646 7.058 11.560 1.00 0.00 C ATOM 23 O CYS A 102 -4.129 7.436 12.628 1.00 0.00 O ATOM 24 CB CYS A 102 -2.656 4.787 11.159 1.00 0.00 C ATOM 25 SG CYS A 102 -2.913 3.037 10.786 1.00 0.00 S ATOM 0 H CYS A 102 -3.465 5.154 9.051 1.00 0.00 H new ATOM 0 HA CYS A 102 -4.756 5.281 11.616 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -1.893 5.180 10.488 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -2.265 4.876 12.173 1.00 0.00 H new ATOM 0 HG CYS A 102 -1.884 2.352 11.188 1.00 0.00 H new ATOM 31 N LYS A 103 -2.876 7.830 10.801 1.00 0.00 N ATOM 32 CA LYS A 103 -2.611 9.223 11.145 1.00 0.00 C ATOM 33 C LYS A 103 -3.901 10.028 11.220 1.00 0.00 C ATOM 34 O LYS A 103 -4.067 10.872 12.101 1.00 0.00 O ATOM 35 CB LYS A 103 -1.656 9.853 10.129 1.00 0.00 C ATOM 36 CG LYS A 103 -0.215 9.372 10.237 1.00 0.00 C ATOM 37 CD LYS A 103 0.656 9.987 9.152 1.00 0.00 C ATOM 38 CE LYS A 103 2.096 9.509 9.260 1.00 0.00 C ATOM 39 NZ LYS A 103 2.940 10.026 8.148 1.00 0.00 N ATOM 0 H LYS A 103 -2.424 7.515 9.943 1.00 0.00 H new ATOM 0 HA LYS A 103 -2.143 9.239 12.129 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -2.022 9.641 9.125 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -1.675 10.936 10.254 1.00 0.00 H new ATOM 0 HG2 LYS A 103 0.185 9.631 11.217 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.185 8.285 10.158 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.257 9.727 8.172 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.625 11.074 9.230 1.00 0.00 H new ATOM 0 HE2 LYS A 103 2.515 9.832 10.213 1.00 0.00 H new ATOM 0 HE3 LYS A 103 2.118 8.419 9.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 3.807 9.456 8.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.411 9.967 7.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 3.193 11.017 8.336 1.00 0.00 H new ATOM 53 N ASN A 104 -4.813 9.761 10.292 1.00 0.00 N ATOM 54 CA ASN A 104 -6.114 10.421 10.284 1.00 0.00 C ATOM 55 C ASN A 104 -6.932 10.037 11.510 1.00 0.00 C ATOM 56 O ASN A 104 -7.631 10.872 12.086 1.00 0.00 O ATOM 57 CB ASN A 104 -6.887 10.108 9.016 1.00 0.00 C ATOM 58 CG ASN A 104 -6.352 10.799 7.794 1.00 0.00 C ATOM 59 OD1 ASN A 104 -5.641 11.806 7.887 1.00 0.00 O ATOM 60 ND2 ASN A 104 -6.757 10.315 6.648 1.00 0.00 N ATOM 0 H ASN A 104 -4.676 9.092 9.535 1.00 0.00 H new ATOM 0 HA ASN A 104 -5.932 11.495 10.314 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.872 9.031 8.849 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -7.929 10.394 9.157 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -6.487 10.772 5.777 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -7.343 9.480 6.625 1.00 0.00 H new ATOM 67 N LEU A 105 -6.845 8.772 11.903 1.00 0.00 N ATOM 68 CA LEU A 105 -7.534 8.289 13.093 1.00 0.00 C ATOM 69 C LEU A 105 -6.982 8.944 14.353 1.00 0.00 C ATOM 70 O LEU A 105 -7.727 9.240 15.288 1.00 0.00 O ATOM 71 CB LEU A 105 -7.416 6.763 13.191 1.00 0.00 C ATOM 72 CG LEU A 105 -8.206 5.978 12.135 1.00 0.00 C ATOM 73 CD1 LEU A 105 -7.836 4.503 12.195 1.00 0.00 C ATOM 74 CD2 LEU A 105 -9.696 6.171 12.367 1.00 0.00 C ATOM 0 H LEU A 105 -6.302 8.060 11.413 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.587 8.559 13.007 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.364 6.490 13.112 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.753 6.451 14.180 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.955 6.351 11.142 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -8.402 3.955 11.442 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.769 4.387 12.003 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -8.071 4.109 13.184 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -10.256 5.613 11.617 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -9.960 5.808 13.361 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -9.942 7.230 12.290 1.00 0.00 H new ATOM 86 N LEU A 106 -5.673 9.170 14.372 1.00 0.00 N ATOM 87 CA LEU A 106 -5.029 9.854 15.487 1.00 0.00 C ATOM 88 C LEU A 106 -5.486 11.306 15.579 1.00 0.00 C ATOM 89 O LEU A 106 -5.689 11.834 16.673 1.00 0.00 O ATOM 90 CB LEU A 106 -3.504 9.782 15.345 1.00 0.00 C ATOM 91 CG LEU A 106 -2.896 8.387 15.537 1.00 0.00 C ATOM 92 CD1 LEU A 106 -1.412 8.413 15.196 1.00 0.00 C ATOM 93 CD2 LEU A 106 -3.112 7.931 16.972 1.00 0.00 C ATOM 0 H LEU A 106 -5.036 8.889 13.626 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.322 9.350 16.408 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.229 10.148 14.355 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.055 10.460 16.071 1.00 0.00 H new ATOM 0 HG LEU A 106 -3.387 7.681 14.868 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.989 7.418 15.335 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.282 8.720 14.158 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.901 9.119 15.850 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -2.680 6.940 17.108 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.631 8.633 17.653 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -4.180 7.893 17.185 1.00 0.00 H new ATOM 105 N GLN A 107 -5.643 11.945 14.426 1.00 0.00 N ATOM 106 CA GLN A 107 -6.155 13.309 14.371 1.00 0.00 C ATOM 107 C GLN A 107 -7.574 13.388 14.916 1.00 0.00 C ATOM 108 O GLN A 107 -7.925 14.329 15.628 1.00 0.00 O ATOM 109 CB GLN A 107 -6.124 13.835 12.933 1.00 0.00 C ATOM 110 CG GLN A 107 -4.735 14.179 12.425 1.00 0.00 C ATOM 111 CD GLN A 107 -4.731 14.548 10.954 1.00 0.00 C ATOM 112 OE1 GLN A 107 -5.762 14.480 10.280 1.00 0.00 O ATOM 113 NE2 GLN A 107 -3.568 14.936 10.444 1.00 0.00 N ATOM 0 H GLN A 107 -5.423 11.540 13.516 1.00 0.00 H new ATOM 0 HA GLN A 107 -5.511 13.929 14.995 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -6.564 13.086 12.275 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -6.752 14.724 12.870 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -4.334 15.010 13.006 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -4.072 13.329 12.585 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -2.739 14.978 11.037 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -3.503 15.192 9.459 1.00 0.00 H new ATOM 122 N GLU A 108 -8.388 12.393 14.580 1.00 0.00 N ATOM 123 CA GLU A 108 -9.742 12.297 15.113 1.00 0.00 C ATOM 124 C GLU A 108 -9.728 12.150 16.629 1.00 0.00 C ATOM 125 O GLU A 108 -10.504 12.797 17.331 1.00 0.00 O ATOM 126 CB GLU A 108 -10.486 11.120 14.477 1.00 0.00 C ATOM 127 CG GLU A 108 -10.847 11.322 13.013 1.00 0.00 C ATOM 128 CD GLU A 108 -11.456 10.079 12.424 1.00 0.00 C ATOM 129 OE1 GLU A 108 -11.518 9.088 13.111 1.00 0.00 O ATOM 130 OE2 GLU A 108 -11.960 10.151 11.328 1.00 0.00 O ATOM 0 H GLU A 108 -8.133 11.641 13.940 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.264 13.221 14.865 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.870 10.225 14.567 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -11.400 10.936 15.042 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.547 12.152 12.920 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -9.954 11.594 12.450 1.00 0.00 H new ATOM 137 N TYR A 109 -8.841 11.296 17.127 1.00 0.00 N ATOM 138 CA TYR A 109 -8.677 11.112 18.564 1.00 0.00 C ATOM 139 C TYR A 109 -8.232 12.405 19.238 1.00 0.00 C ATOM 140 O TYR A 109 -8.708 12.748 20.319 1.00 0.00 O ATOM 141 CB TYR A 109 -7.670 9.997 18.850 1.00 0.00 C ATOM 142 CG TYR A 109 -7.414 9.764 20.323 1.00 0.00 C ATOM 143 CD1 TYR A 109 -8.320 9.056 21.100 1.00 0.00 C ATOM 144 CD2 TYR A 109 -6.267 10.252 20.931 1.00 0.00 C ATOM 145 CE1 TYR A 109 -8.091 8.842 22.446 1.00 0.00 C ATOM 146 CE2 TYR A 109 -6.028 10.042 22.275 1.00 0.00 C ATOM 147 CZ TYR A 109 -6.943 9.336 23.030 1.00 0.00 C ATOM 148 OH TYR A 109 -6.708 9.125 24.369 1.00 0.00 O ATOM 0 H TYR A 109 -8.223 10.719 16.556 1.00 0.00 H new ATOM 0 HA TYR A 109 -9.645 10.828 18.976 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -8.032 9.071 18.403 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -6.726 10.239 18.361 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -9.219 8.666 20.645 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -5.549 10.805 20.344 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -8.807 8.291 23.038 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -5.130 10.428 22.733 1.00 0.00 H new ATOM 0 HH TYR A 109 -5.855 9.537 24.620 1.00 0.00 H new ATOM 158 N ALA A 110 -7.315 13.116 18.592 1.00 0.00 N ATOM 159 CA ALA A 110 -6.808 14.375 19.124 1.00 0.00 C ATOM 160 C ALA A 110 -7.924 15.403 19.268 1.00 0.00 C ATOM 161 O ALA A 110 -8.029 16.079 20.290 1.00 0.00 O ATOM 162 CB ALA A 110 -5.698 14.917 18.237 1.00 0.00 C ATOM 0 H ALA A 110 -6.907 12.842 17.698 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.401 14.181 20.116 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -5.330 15.857 18.648 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.882 14.196 18.194 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -6.085 15.087 17.232 1.00 0.00 H new ATOM 168 N GLN A 111 -8.756 15.512 18.238 1.00 0.00 N ATOM 169 CA GLN A 111 -9.873 16.450 18.252 1.00 0.00 C ATOM 170 C GLN A 111 -10.844 16.133 19.381 1.00 0.00 C ATOM 171 O GLN A 111 -11.325 17.032 20.071 1.00 0.00 O ATOM 172 CB GLN A 111 -10.611 16.425 16.911 1.00 0.00 C ATOM 173 CG GLN A 111 -9.840 17.052 15.762 1.00 0.00 C ATOM 174 CD GLN A 111 -10.554 16.898 14.433 1.00 0.00 C ATOM 175 OE1 GLN A 111 -11.596 16.244 14.344 1.00 0.00 O ATOM 176 NE2 GLN A 111 -9.994 17.498 13.389 1.00 0.00 N ATOM 0 H GLN A 111 -8.678 14.962 17.382 1.00 0.00 H new ATOM 0 HA GLN A 111 -9.466 17.447 18.418 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -10.843 15.391 16.656 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -11.562 16.946 17.023 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -9.685 18.111 15.967 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -8.854 16.593 15.697 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -9.131 18.029 13.508 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -10.427 17.428 12.468 1.00 0.00 H new ATOM 185 N LYS A 112 -11.131 14.848 19.564 1.00 0.00 N ATOM 186 CA LYS A 112 -12.067 14.412 20.594 1.00 0.00 C ATOM 187 C LYS A 112 -11.528 14.704 21.989 1.00 0.00 C ATOM 188 O LYS A 112 -12.292 14.954 22.921 1.00 0.00 O ATOM 189 CB LYS A 112 -12.365 12.919 20.448 1.00 0.00 C ATOM 190 CG LYS A 112 -13.204 12.562 19.227 1.00 0.00 C ATOM 191 CD LYS A 112 -13.449 11.063 19.144 1.00 0.00 C ATOM 192 CE LYS A 112 -14.298 10.706 17.932 1.00 0.00 C ATOM 193 NZ LYS A 112 -14.523 9.239 17.823 1.00 0.00 N ATOM 0 H LYS A 112 -10.729 14.090 19.012 1.00 0.00 H new ATOM 0 HA LYS A 112 -12.992 14.973 20.462 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -11.421 12.376 20.397 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -12.883 12.575 21.343 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -14.158 13.087 19.273 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -12.697 12.900 18.323 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -12.495 10.539 19.089 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -13.947 10.723 20.052 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -15.259 11.216 17.999 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -13.808 11.066 17.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -15.105 9.038 16.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -13.608 8.753 17.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -15.013 8.899 18.675 1.00 0.00 H new ATOM 207 N MET A 113 -10.206 14.672 22.124 1.00 0.00 N ATOM 208 CA MET A 113 -9.564 14.894 23.414 1.00 0.00 C ATOM 209 C MET A 113 -9.130 16.346 23.571 1.00 0.00 C ATOM 210 O MET A 113 -8.460 16.704 24.540 1.00 0.00 O ATOM 211 CB MET A 113 -8.362 13.965 23.574 1.00 0.00 C ATOM 212 CG MET A 113 -8.704 12.482 23.527 1.00 0.00 C ATOM 213 SD MET A 113 -9.761 11.968 24.895 1.00 0.00 S ATOM 214 CE MET A 113 -8.610 12.056 26.263 1.00 0.00 C ATOM 0 H MET A 113 -9.559 14.494 21.356 1.00 0.00 H new ATOM 0 HA MET A 113 -10.292 14.672 24.194 1.00 0.00 H new ATOM 0 HB2 MET A 113 -7.641 14.184 22.787 1.00 0.00 H new ATOM 0 HB3 MET A 113 -7.873 14.183 24.524 1.00 0.00 H new ATOM 0 HG2 MET A 113 -9.203 12.258 22.584 1.00 0.00 H new ATOM 0 HG3 MET A 113 -7.783 11.900 23.547 1.00 0.00 H new ATOM 0 HE1 MET A 113 -9.030 11.538 27.125 1.00 0.00 H new ATOM 0 HE2 MET A 113 -7.670 11.584 25.978 1.00 0.00 H new ATOM 0 HE3 MET A 113 -8.429 13.100 26.519 1.00 0.00 H new ATOM 224 N ASN A 114 -9.516 17.181 22.611 1.00 0.00 N ATOM 225 CA ASN A 114 -9.147 18.591 22.628 1.00 0.00 C ATOM 226 C ASN A 114 -7.637 18.764 22.723 1.00 0.00 C ATOM 227 O ASN A 114 -7.146 19.652 23.421 1.00 0.00 O ATOM 228 CB ASN A 114 -9.832 19.331 23.762 1.00 0.00 C ATOM 229 CG ASN A 114 -11.323 19.439 23.600 1.00 0.00 C ATOM 230 OD1 ASN A 114 -11.848 19.437 22.481 1.00 0.00 O ATOM 231 ND2 ASN A 114 -12.000 19.615 24.707 1.00 0.00 N ATOM 0 H ASN A 114 -10.085 16.904 21.811 1.00 0.00 H new ATOM 0 HA ASN A 114 -9.486 19.023 21.686 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -9.613 18.822 24.701 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -9.410 20.333 23.837 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -13.009 19.759 24.670 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -11.518 19.608 25.606 1.00 0.00 H new ATOM 238 N TYR A 115 -6.903 17.910 22.019 1.00 0.00 N ATOM 239 CA TYR A 115 -5.450 18.014 21.960 1.00 0.00 C ATOM 240 C TYR A 115 -4.985 18.460 20.579 1.00 0.00 C ATOM 241 O TYR A 115 -5.719 18.338 19.598 1.00 0.00 O ATOM 242 CB TYR A 115 -4.801 16.678 22.327 1.00 0.00 C ATOM 243 CG TYR A 115 -5.040 16.252 23.758 1.00 0.00 C ATOM 244 CD1 TYR A 115 -5.269 17.193 24.752 1.00 0.00 C ATOM 245 CD2 TYR A 115 -5.038 14.912 24.111 1.00 0.00 C ATOM 246 CE1 TYR A 115 -5.488 16.810 26.061 1.00 0.00 C ATOM 247 CE2 TYR A 115 -5.257 14.517 25.417 1.00 0.00 C ATOM 248 CZ TYR A 115 -5.481 15.470 26.390 1.00 0.00 C ATOM 249 OH TYR A 115 -5.700 15.083 27.692 1.00 0.00 O ATOM 0 H TYR A 115 -7.292 17.136 21.480 1.00 0.00 H new ATOM 0 HA TYR A 115 -5.141 18.768 22.684 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -5.182 15.905 21.660 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -3.727 16.747 22.154 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -5.276 18.243 24.498 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -4.862 14.164 23.352 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -5.664 17.555 26.823 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -5.253 13.468 25.675 1.00 0.00 H new ATOM 0 HH TYR A 115 -5.663 14.106 27.753 1.00 0.00 H new ATOM 259 N ALA A 116 -3.762 18.974 20.509 1.00 0.00 N ATOM 260 CA ALA A 116 -3.153 19.329 19.234 1.00 0.00 C ATOM 261 C ALA A 116 -2.953 18.100 18.357 1.00 0.00 C ATOM 262 O ALA A 116 -2.751 16.994 18.858 1.00 0.00 O ATOM 263 CB ALA A 116 -1.828 20.042 19.459 1.00 0.00 C ATOM 0 H ALA A 116 -3.173 19.154 21.322 1.00 0.00 H new ATOM 0 HA ALA A 116 -3.832 20.005 18.714 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.386 20.300 18.497 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -1.997 20.951 20.036 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -1.150 19.386 20.005 1.00 0.00 H new ATOM 269 N ILE A 117 -3.011 18.300 17.045 1.00 0.00 N ATOM 270 CA ILE A 117 -2.889 17.199 16.096 1.00 0.00 C ATOM 271 C ILE A 117 -1.599 16.420 16.320 1.00 0.00 C ATOM 272 O ILE A 117 -0.590 16.980 16.746 1.00 0.00 O ATOM 273 CB ILE A 117 -2.927 17.701 14.640 1.00 0.00 C ATOM 274 CG1 ILE A 117 -1.782 18.684 14.384 1.00 0.00 C ATOM 275 CG2 ILE A 117 -4.268 18.351 14.337 1.00 0.00 C ATOM 276 CD1 ILE A 117 -1.627 19.076 12.932 1.00 0.00 C ATOM 0 H ILE A 117 -3.142 19.215 16.614 1.00 0.00 H new ATOM 0 HA ILE A 117 -3.742 16.542 16.266 1.00 0.00 H new ATOM 0 HB ILE A 117 -2.802 16.846 13.975 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -1.948 19.583 14.978 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -0.850 18.240 14.732 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -4.278 18.700 13.304 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -5.066 17.623 14.482 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -4.422 19.197 15.007 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -0.796 19.774 12.830 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -1.429 18.186 12.334 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -2.544 19.551 12.583 1.00 0.00 H new ATOM 288 N PRO A 118 -1.640 15.123 16.032 1.00 0.00 N ATOM 289 CA PRO A 118 -0.478 14.261 16.212 1.00 0.00 C ATOM 290 C PRO A 118 0.652 14.654 15.270 1.00 0.00 C ATOM 291 O PRO A 118 0.412 15.037 14.124 1.00 0.00 O ATOM 292 CB PRO A 118 -1.010 12.848 15.919 1.00 0.00 C ATOM 293 CG PRO A 118 -2.201 13.059 15.026 1.00 0.00 C ATOM 294 CD PRO A 118 -2.820 14.376 15.574 1.00 0.00 C ATOM 0 HA PRO A 118 -0.049 14.335 17.211 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -0.253 12.235 15.430 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -1.292 12.334 16.838 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -1.909 13.155 13.980 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -2.903 12.227 15.086 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -3.367 14.918 14.803 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -3.520 14.186 16.388 1.00 0.00 H new ATOM 302 N LEU A 119 1.883 14.561 15.759 1.00 0.00 N ATOM 303 CA LEU A 119 3.051 14.932 14.969 1.00 0.00 C ATOM 304 C LEU A 119 4.041 13.778 14.875 1.00 0.00 C ATOM 305 O LEU A 119 4.357 13.135 15.877 1.00 0.00 O ATOM 306 CB LEU A 119 3.728 16.168 15.574 1.00 0.00 C ATOM 307 CG LEU A 119 2.845 17.419 15.661 1.00 0.00 C ATOM 308 CD1 LEU A 119 3.587 18.533 16.387 1.00 0.00 C ATOM 309 CD2 LEU A 119 2.448 17.860 14.260 1.00 0.00 C ATOM 0 H LEU A 119 2.098 14.231 16.700 1.00 0.00 H new ATOM 0 HA LEU A 119 2.716 15.170 13.959 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.076 15.918 16.576 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.611 16.406 14.980 1.00 0.00 H new ATOM 0 HG LEU A 119 1.942 17.187 16.225 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.952 19.417 16.443 1.00 0.00 H new ATOM 0 HD12 LEU A 119 3.842 18.204 17.395 1.00 0.00 H new ATOM 0 HD13 LEU A 119 4.500 18.777 15.843 1.00 0.00 H new ATOM 0 HD21 LEU A 119 1.820 18.749 14.323 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.344 18.088 13.683 1.00 0.00 H new ATOM 0 HD23 LEU A 119 1.895 17.059 13.770 1.00 0.00 H new ATOM 321 N TYR A 120 4.529 13.521 13.667 1.00 0.00 N ATOM 322 CA TYR A 120 5.456 12.419 13.433 1.00 0.00 C ATOM 323 C TYR A 120 6.843 12.935 13.069 1.00 0.00 C ATOM 324 O TYR A 120 6.992 14.056 12.585 1.00 0.00 O ATOM 325 CB TYR A 120 4.929 11.502 12.327 1.00 0.00 C ATOM 326 CG TYR A 120 4.771 12.186 10.987 1.00 0.00 C ATOM 327 CD1 TYR A 120 3.590 12.834 10.655 1.00 0.00 C ATOM 328 CD2 TYR A 120 5.801 12.180 10.057 1.00 0.00 C ATOM 329 CE1 TYR A 120 3.440 13.462 9.433 1.00 0.00 C ATOM 330 CE2 TYR A 120 5.662 12.804 8.832 1.00 0.00 C ATOM 331 CZ TYR A 120 4.478 13.444 8.524 1.00 0.00 C ATOM 332 OH TYR A 120 4.332 14.065 7.305 1.00 0.00 O ATOM 0 H TYR A 120 4.298 14.061 12.833 1.00 0.00 H new ATOM 0 HA TYR A 120 5.536 11.848 14.358 1.00 0.00 H new ATOM 0 HB2 TYR A 120 5.608 10.657 12.215 1.00 0.00 H new ATOM 0 HB3 TYR A 120 3.964 11.097 12.633 1.00 0.00 H new ATOM 0 HD1 TYR A 120 2.775 12.848 11.363 1.00 0.00 H new ATOM 0 HD2 TYR A 120 6.728 11.679 10.295 1.00 0.00 H new ATOM 0 HE1 TYR A 120 2.515 13.964 9.191 1.00 0.00 H new ATOM 0 HE2 TYR A 120 6.474 12.791 8.120 1.00 0.00 H new ATOM 0 HH TYR A 120 5.155 13.960 6.784 1.00 0.00 H new ATOM 342 N GLN A 121 7.856 12.107 13.305 1.00 0.00 N ATOM 343 CA GLN A 121 9.232 12.472 12.990 1.00 0.00 C ATOM 344 C GLN A 121 10.050 11.249 12.595 1.00 0.00 C ATOM 345 O GLN A 121 10.032 10.229 13.285 1.00 0.00 O ATOM 346 CB GLN A 121 9.889 13.168 14.186 1.00 0.00 C ATOM 347 CG GLN A 121 11.301 13.660 13.920 1.00 0.00 C ATOM 348 CD GLN A 121 11.884 14.410 15.103 1.00 0.00 C ATOM 349 OE1 GLN A 121 11.217 14.604 16.123 1.00 0.00 O ATOM 350 NE2 GLN A 121 13.133 14.841 14.971 1.00 0.00 N ATOM 0 H GLN A 121 7.749 11.178 13.713 1.00 0.00 H new ATOM 0 HA GLN A 121 9.207 13.159 12.144 1.00 0.00 H new ATOM 0 HB2 GLN A 121 9.271 14.015 14.484 1.00 0.00 H new ATOM 0 HB3 GLN A 121 9.910 12.477 15.028 1.00 0.00 H new ATOM 0 HG2 GLN A 121 11.940 12.810 13.681 1.00 0.00 H new ATOM 0 HG3 GLN A 121 11.297 14.311 13.046 1.00 0.00 H new ATOM 0 HE21 GLN A 121 13.647 14.658 14.109 1.00 0.00 H new ATOM 0 HE22 GLN A 121 13.578 15.355 15.731 1.00 0.00 H new ATOM 359 N CYS A 122 10.764 11.356 11.480 1.00 0.00 N ATOM 360 CA CYS A 122 11.623 10.275 11.013 1.00 0.00 C ATOM 361 C CYS A 122 13.095 10.637 11.156 1.00 0.00 C ATOM 362 O CYS A 122 13.484 11.786 10.944 1.00 0.00 O ATOM 363 CB CYS A 122 11.239 10.153 9.538 1.00 0.00 C ATOM 364 SG CYS A 122 9.504 9.731 9.246 1.00 0.00 S ATOM 0 H CYS A 122 10.765 12.182 10.882 1.00 0.00 H new ATOM 0 HA CYS A 122 11.493 9.352 11.578 1.00 0.00 H new ATOM 0 HB2 CYS A 122 11.459 11.097 9.039 1.00 0.00 H new ATOM 0 HB3 CYS A 122 11.868 9.393 9.074 1.00 0.00 H new ATOM 0 HG CYS A 122 9.095 8.913 10.170 1.00 0.00 H new ATOM 370 N GLN A 123 13.910 9.653 11.517 1.00 0.00 N ATOM 371 CA GLN A 123 15.336 9.874 11.722 1.00 0.00 C ATOM 372 C GLN A 123 16.166 8.829 10.988 1.00 0.00 C ATOM 373 O GLN A 123 15.723 7.698 10.788 1.00 0.00 O ATOM 374 CB GLN A 123 15.674 9.848 13.216 1.00 0.00 C ATOM 375 CG GLN A 123 15.003 10.945 14.025 1.00 0.00 C ATOM 376 CD GLN A 123 15.400 10.910 15.488 1.00 0.00 C ATOM 377 OE1 GLN A 123 16.100 9.995 15.934 1.00 0.00 O ATOM 378 NE2 GLN A 123 14.953 11.904 16.246 1.00 0.00 N ATOM 0 H GLN A 123 13.606 8.692 11.674 1.00 0.00 H new ATOM 0 HA GLN A 123 15.580 10.856 11.317 1.00 0.00 H new ATOM 0 HB2 GLN A 123 15.384 8.881 13.626 1.00 0.00 H new ATOM 0 HB3 GLN A 123 16.754 9.934 13.334 1.00 0.00 H new ATOM 0 HG2 GLN A 123 15.265 11.915 13.603 1.00 0.00 H new ATOM 0 HG3 GLN A 123 13.921 10.843 13.943 1.00 0.00 H new ATOM 0 HE21 GLN A 123 14.377 12.639 15.836 1.00 0.00 H new ATOM 0 HE22 GLN A 123 15.185 11.932 17.239 1.00 0.00 H new ATOM 387 N LYS A 124 17.375 9.213 10.591 1.00 0.00 N ATOM 388 CA LYS A 124 18.294 8.292 9.934 1.00 0.00 C ATOM 389 C LYS A 124 19.438 7.901 10.861 1.00 0.00 C ATOM 390 O LYS A 124 20.143 8.761 11.389 1.00 0.00 O ATOM 391 CB LYS A 124 18.846 8.911 8.650 1.00 0.00 C ATOM 392 CG LYS A 124 19.770 7.995 7.857 1.00 0.00 C ATOM 393 CD LYS A 124 20.315 8.695 6.620 1.00 0.00 C ATOM 394 CE LYS A 124 21.253 7.788 5.838 1.00 0.00 C ATOM 395 NZ LYS A 124 21.773 8.450 4.611 1.00 0.00 N ATOM 0 H LYS A 124 17.741 10.157 10.713 1.00 0.00 H new ATOM 0 HA LYS A 124 17.737 7.390 9.680 1.00 0.00 H new ATOM 0 HB2 LYS A 124 18.011 9.204 8.014 1.00 0.00 H new ATOM 0 HB3 LYS A 124 19.388 9.822 8.904 1.00 0.00 H new ATOM 0 HG2 LYS A 124 20.597 7.674 8.490 1.00 0.00 H new ATOM 0 HG3 LYS A 124 19.228 7.097 7.560 1.00 0.00 H new ATOM 0 HD2 LYS A 124 19.488 9.004 5.981 1.00 0.00 H new ATOM 0 HD3 LYS A 124 20.845 9.601 6.916 1.00 0.00 H new ATOM 0 HE2 LYS A 124 22.088 7.495 6.474 1.00 0.00 H new ATOM 0 HE3 LYS A 124 20.727 6.874 5.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 22.408 7.798 4.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 20.978 8.707 3.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 22.297 9.309 4.875 1.00 0.00 H new ATOM 409 N VAL A 125 19.618 6.599 11.056 1.00 0.00 N ATOM 410 CA VAL A 125 20.586 6.095 12.021 1.00 0.00 C ATOM 411 C VAL A 125 21.598 5.172 11.355 1.00 0.00 C ATOM 412 O VAL A 125 21.231 4.154 10.765 1.00 0.00 O ATOM 413 CB VAL A 125 19.897 5.339 13.172 1.00 0.00 C ATOM 414 CG1 VAL A 125 20.930 4.800 14.149 1.00 0.00 C ATOM 415 CG2 VAL A 125 18.909 6.246 13.889 1.00 0.00 C ATOM 0 H VAL A 125 19.104 5.873 10.557 1.00 0.00 H new ATOM 0 HA VAL A 125 21.103 6.964 12.428 1.00 0.00 H new ATOM 0 HB VAL A 125 19.348 4.497 12.751 1.00 0.00 H new ATOM 0 HG11 VAL A 125 20.425 4.269 14.956 1.00 0.00 H new ATOM 0 HG12 VAL A 125 21.601 4.117 13.629 1.00 0.00 H new ATOM 0 HG13 VAL A 125 21.505 5.628 14.564 1.00 0.00 H new ATOM 0 HG21 VAL A 125 18.431 5.695 14.699 1.00 0.00 H new ATOM 0 HG22 VAL A 125 19.437 7.108 14.298 1.00 0.00 H new ATOM 0 HG23 VAL A 125 18.150 6.586 13.185 1.00 0.00 H new ATOM 425 N GLU A 126 22.873 5.531 11.450 1.00 0.00 N ATOM 426 CA GLU A 126 23.951 4.662 10.995 1.00 0.00 C ATOM 427 C GLU A 126 24.587 3.914 12.161 1.00 0.00 C ATOM 428 O GLU A 126 24.937 4.513 13.176 1.00 0.00 O ATOM 429 CB GLU A 126 25.013 5.471 10.248 1.00 0.00 C ATOM 430 CG GLU A 126 24.537 6.073 8.933 1.00 0.00 C ATOM 431 CD GLU A 126 25.618 6.889 8.282 1.00 0.00 C ATOM 432 OE1 GLU A 126 26.677 7.000 8.852 1.00 0.00 O ATOM 433 OE2 GLU A 126 25.426 7.308 7.165 1.00 0.00 O ATOM 0 H GLU A 126 23.186 6.420 11.839 1.00 0.00 H new ATOM 0 HA GLU A 126 23.521 3.928 10.314 1.00 0.00 H new ATOM 0 HB2 GLU A 126 25.362 6.275 10.896 1.00 0.00 H new ATOM 0 HB3 GLU A 126 25.870 4.827 10.049 1.00 0.00 H new ATOM 0 HG2 GLU A 126 24.224 5.276 8.258 1.00 0.00 H new ATOM 0 HG3 GLU A 126 23.664 6.700 9.113 1.00 0.00 H new ATOM 440 N THR A 127 24.731 2.603 12.006 1.00 0.00 N ATOM 441 CA THR A 127 25.225 1.755 13.085 1.00 0.00 C ATOM 442 C THR A 127 26.746 1.673 13.070 1.00 0.00 C ATOM 443 O THR A 127 27.389 2.089 12.107 1.00 0.00 O ATOM 444 CB THR A 127 24.643 0.332 12.998 1.00 0.00 C ATOM 445 OG1 THR A 127 25.130 -0.314 11.813 1.00 0.00 O ATOM 446 CG2 THR A 127 23.123 0.378 12.958 1.00 0.00 C ATOM 0 H THR A 127 24.513 2.104 11.144 1.00 0.00 H new ATOM 0 HA THR A 127 24.899 2.214 14.018 1.00 0.00 H new ATOM 0 HB THR A 127 24.955 -0.227 13.880 1.00 0.00 H new ATOM 0 HG1 THR A 127 25.037 -1.285 11.908 1.00 0.00 H new ATOM 0 HG21 THR A 127 22.730 -0.637 12.897 1.00 0.00 H new ATOM 0 HG22 THR A 127 22.750 0.858 13.863 1.00 0.00 H new ATOM 0 HG23 THR A 127 22.799 0.946 12.086 1.00 0.00 H new ATOM 454 N LEU A 128 27.315 1.134 14.143 1.00 0.00 N ATOM 455 CA LEU A 128 28.759 0.954 14.235 1.00 0.00 C ATOM 456 C LEU A 128 29.244 -0.120 13.269 1.00 0.00 C ATOM 457 O LEU A 128 30.442 -0.258 13.029 1.00 0.00 O ATOM 458 CB LEU A 128 29.158 0.599 15.673 1.00 0.00 C ATOM 459 CG LEU A 128 28.919 1.705 16.709 1.00 0.00 C ATOM 460 CD1 LEU A 128 29.242 1.190 18.105 1.00 0.00 C ATOM 461 CD2 LEU A 128 29.778 2.913 16.369 1.00 0.00 C ATOM 0 H LEU A 128 26.798 0.814 14.962 1.00 0.00 H new ATOM 0 HA LEU A 128 29.235 1.894 13.957 1.00 0.00 H new ATOM 0 HB2 LEU A 128 28.604 -0.289 15.978 1.00 0.00 H new ATOM 0 HB3 LEU A 128 30.215 0.334 15.685 1.00 0.00 H new ATOM 0 HG LEU A 128 27.871 2.003 16.689 1.00 0.00 H new ATOM 0 HD11 LEU A 128 29.069 1.982 18.834 1.00 0.00 H new ATOM 0 HD12 LEU A 128 28.602 0.339 18.336 1.00 0.00 H new ATOM 0 HD13 LEU A 128 30.286 0.880 18.146 1.00 0.00 H new ATOM 0 HD21 LEU A 128 29.608 3.699 17.105 1.00 0.00 H new ATOM 0 HD22 LEU A 128 30.830 2.626 16.380 1.00 0.00 H new ATOM 0 HD23 LEU A 128 29.513 3.281 15.378 1.00 0.00 H new ATOM 473 N GLY A 129 28.303 -0.881 12.719 1.00 0.00 N ATOM 474 CA GLY A 129 28.622 -1.884 11.710 1.00 0.00 C ATOM 475 C GLY A 129 28.468 -1.319 10.304 1.00 0.00 C ATOM 476 O GLY A 129 28.429 -2.064 9.326 1.00 0.00 O ATOM 0 H GLY A 129 27.313 -0.822 12.956 1.00 0.00 H new ATOM 0 HA2 GLY A 129 29.644 -2.236 11.853 1.00 0.00 H new ATOM 0 HA3 GLY A 129 27.967 -2.747 11.832 1.00 0.00 H new ATOM 480 N ARG A 130 28.381 0.004 10.210 1.00 0.00 N ATOM 481 CA ARG A 130 28.268 0.675 8.921 1.00 0.00 C ATOM 482 C ARG A 130 27.007 0.243 8.184 1.00 0.00 C ATOM 483 O ARG A 130 26.991 0.161 6.956 1.00 0.00 O ATOM 484 CB ARG A 130 29.508 0.480 8.061 1.00 0.00 C ATOM 485 CG ARG A 130 30.791 1.043 8.653 1.00 0.00 C ATOM 486 CD ARG A 130 32.001 0.814 7.823 1.00 0.00 C ATOM 487 NE ARG A 130 33.251 1.194 8.462 1.00 0.00 N ATOM 488 CZ ARG A 130 34.470 1.038 7.909 1.00 0.00 C ATOM 489 NH1 ARG A 130 34.613 0.479 6.729 1.00 0.00 N ATOM 490 NH2 ARG A 130 35.523 1.443 8.598 1.00 0.00 N ATOM 0 H ARG A 130 28.387 0.633 11.013 1.00 0.00 H new ATOM 0 HA ARG A 130 28.189 1.743 9.123 1.00 0.00 H new ATOM 0 HB2 ARG A 130 29.645 -0.587 7.882 1.00 0.00 H new ATOM 0 HB3 ARG A 130 29.337 0.947 7.091 1.00 0.00 H new ATOM 0 HG2 ARG A 130 30.667 2.115 8.805 1.00 0.00 H new ATOM 0 HG3 ARG A 130 30.949 0.598 9.635 1.00 0.00 H new ATOM 0 HD2 ARG A 130 32.050 -0.242 7.558 1.00 0.00 H new ATOM 0 HD3 ARG A 130 31.899 1.372 6.892 1.00 0.00 H new ATOM 0 HE ARG A 130 33.202 1.607 9.393 1.00 0.00 H new ATOM 0 HH11 ARG A 130 33.793 0.155 6.216 1.00 0.00 H new ATOM 0 HH12 ARG A 130 35.544 0.369 6.326 1.00 0.00 H new ATOM 0 HH21 ARG A 130 35.399 1.860 9.521 1.00 0.00 H new ATOM 0 HH22 ARG A 130 36.459 1.339 8.207 1.00 0.00 H new ATOM 504 N VAL A 131 25.950 -0.031 8.941 1.00 0.00 N ATOM 505 CA VAL A 131 24.661 -0.386 8.358 1.00 0.00 C ATOM 506 C VAL A 131 23.638 0.724 8.568 1.00 0.00 C ATOM 507 O VAL A 131 23.414 1.171 9.693 1.00 0.00 O ATOM 508 CB VAL A 131 24.112 -1.695 8.955 1.00 0.00 C ATOM 509 CG1 VAL A 131 22.748 -2.019 8.365 1.00 0.00 C ATOM 510 CG2 VAL A 131 25.083 -2.841 8.707 1.00 0.00 C ATOM 0 H VAL A 131 25.961 -0.014 9.961 1.00 0.00 H new ATOM 0 HA VAL A 131 24.827 -0.526 7.290 1.00 0.00 H new ATOM 0 HB VAL A 131 24.000 -1.562 10.031 1.00 0.00 H new ATOM 0 HG11 VAL A 131 22.375 -2.947 8.798 1.00 0.00 H new ATOM 0 HG12 VAL A 131 22.053 -1.209 8.589 1.00 0.00 H new ATOM 0 HG13 VAL A 131 22.837 -2.133 7.285 1.00 0.00 H new ATOM 0 HG21 VAL A 131 24.680 -3.759 9.135 1.00 0.00 H new ATOM 0 HG22 VAL A 131 25.224 -2.973 7.634 1.00 0.00 H new ATOM 0 HG23 VAL A 131 26.041 -2.613 9.174 1.00 0.00 H new ATOM 520 N THR A 132 23.019 1.164 7.478 1.00 0.00 N ATOM 521 CA THR A 132 22.045 2.247 7.535 1.00 0.00 C ATOM 522 C THR A 132 20.654 1.721 7.868 1.00 0.00 C ATOM 523 O THR A 132 20.192 0.746 7.276 1.00 0.00 O ATOM 524 CB THR A 132 21.985 3.024 6.207 1.00 0.00 C ATOM 525 OG1 THR A 132 23.266 3.607 5.933 1.00 0.00 O ATOM 526 CG2 THR A 132 20.936 4.124 6.279 1.00 0.00 C ATOM 0 H THR A 132 23.175 0.787 6.543 1.00 0.00 H new ATOM 0 HA THR A 132 22.373 2.922 8.325 1.00 0.00 H new ATOM 0 HB THR A 132 21.716 2.331 5.410 1.00 0.00 H new ATOM 0 HG1 THR A 132 23.227 4.100 5.087 1.00 0.00 H new ATOM 0 HG21 THR A 132 20.908 4.662 5.332 1.00 0.00 H new ATOM 0 HG22 THR A 132 19.959 3.683 6.475 1.00 0.00 H new ATOM 0 HG23 THR A 132 21.189 4.816 7.082 1.00 0.00 H new ATOM 534 N GLN A 133 19.992 2.373 8.819 1.00 0.00 N ATOM 535 CA GLN A 133 18.618 2.032 9.165 1.00 0.00 C ATOM 536 C GLN A 133 17.809 3.279 9.499 1.00 0.00 C ATOM 537 O GLN A 133 18.357 4.282 9.956 1.00 0.00 O ATOM 538 CB GLN A 133 18.589 1.064 10.351 1.00 0.00 C ATOM 539 CG GLN A 133 19.112 1.654 11.650 1.00 0.00 C ATOM 540 CD GLN A 133 19.057 0.665 12.798 1.00 0.00 C ATOM 541 OE1 GLN A 133 18.594 -0.467 12.639 1.00 0.00 O ATOM 542 NE2 GLN A 133 19.526 1.089 13.966 1.00 0.00 N ATOM 0 H GLN A 133 20.386 3.140 9.363 1.00 0.00 H new ATOM 0 HA GLN A 133 18.167 1.550 8.297 1.00 0.00 H new ATOM 0 HB2 GLN A 133 17.564 0.727 10.505 1.00 0.00 H new ATOM 0 HB3 GLN A 133 19.180 0.183 10.101 1.00 0.00 H new ATOM 0 HG2 GLN A 133 20.141 1.984 11.508 1.00 0.00 H new ATOM 0 HG3 GLN A 133 18.527 2.537 11.906 1.00 0.00 H new ATOM 0 HE21 GLN A 133 19.900 2.034 14.053 1.00 0.00 H new ATOM 0 HE22 GLN A 133 19.512 0.470 14.776 1.00 0.00 H new ATOM 551 N PHE A 134 16.502 3.211 9.268 1.00 0.00 N ATOM 552 CA PHE A 134 15.623 4.350 9.496 1.00 0.00 C ATOM 553 C PHE A 134 14.634 4.067 10.620 1.00 0.00 C ATOM 554 O PHE A 134 14.168 2.939 10.780 1.00 0.00 O ATOM 555 CB PHE A 134 14.872 4.712 8.213 1.00 0.00 C ATOM 556 CG PHE A 134 15.762 5.203 7.108 1.00 0.00 C ATOM 557 CD1 PHE A 134 16.504 4.311 6.347 1.00 0.00 C ATOM 558 CD2 PHE A 134 15.862 6.558 6.827 1.00 0.00 C ATOM 559 CE1 PHE A 134 17.324 4.763 5.329 1.00 0.00 C ATOM 560 CE2 PHE A 134 16.679 7.011 5.811 1.00 0.00 C ATOM 561 CZ PHE A 134 17.411 6.112 5.061 1.00 0.00 C ATOM 0 H PHE A 134 16.028 2.377 8.922 1.00 0.00 H new ATOM 0 HA PHE A 134 16.243 5.195 9.794 1.00 0.00 H new ATOM 0 HB2 PHE A 134 14.325 3.836 7.864 1.00 0.00 H new ATOM 0 HB3 PHE A 134 14.133 5.480 8.440 1.00 0.00 H new ATOM 0 HD1 PHE A 134 16.441 3.252 6.552 1.00 0.00 H new ATOM 0 HD2 PHE A 134 15.294 7.267 7.410 1.00 0.00 H new ATOM 0 HE1 PHE A 134 17.896 4.058 4.744 1.00 0.00 H new ATOM 0 HE2 PHE A 134 16.746 8.069 5.603 1.00 0.00 H new ATOM 0 HZ PHE A 134 18.051 6.465 4.266 1.00 0.00 H new ATOM 571 N THR A 135 14.317 5.097 11.397 1.00 0.00 N ATOM 572 CA THR A 135 13.323 4.980 12.456 1.00 0.00 C ATOM 573 C THR A 135 12.311 6.116 12.389 1.00 0.00 C ATOM 574 O THR A 135 12.577 7.164 11.800 1.00 0.00 O ATOM 575 CB THR A 135 13.980 4.975 13.849 1.00 0.00 C ATOM 576 OG1 THR A 135 14.657 6.219 14.067 1.00 0.00 O ATOM 577 CG2 THR A 135 14.977 3.832 13.964 1.00 0.00 C ATOM 0 H THR A 135 14.735 6.024 11.313 1.00 0.00 H new ATOM 0 HA THR A 135 12.810 4.030 12.302 1.00 0.00 H new ATOM 0 HB THR A 135 13.201 4.842 14.600 1.00 0.00 H new ATOM 0 HG1 THR A 135 15.073 6.214 14.954 1.00 0.00 H new ATOM 0 HG21 THR A 135 15.432 3.844 14.955 1.00 0.00 H new ATOM 0 HG22 THR A 135 14.462 2.883 13.812 1.00 0.00 H new ATOM 0 HG23 THR A 135 15.753 3.949 13.207 1.00 0.00 H new ATOM 585 N CYS A 136 11.147 5.901 12.995 1.00 0.00 N ATOM 586 CA CYS A 136 10.080 6.896 12.979 1.00 0.00 C ATOM 587 C CYS A 136 9.244 6.824 14.249 1.00 0.00 C ATOM 588 O CYS A 136 8.908 5.739 14.724 1.00 0.00 O ATOM 589 CB CYS A 136 9.251 6.482 11.763 1.00 0.00 C ATOM 590 SG CYS A 136 7.851 7.571 11.407 1.00 0.00 S ATOM 0 H CYS A 136 10.919 5.047 13.503 1.00 0.00 H new ATOM 0 HA CYS A 136 10.449 7.920 12.928 1.00 0.00 H new ATOM 0 HB2 CYS A 136 9.902 6.449 10.889 1.00 0.00 H new ATOM 0 HB3 CYS A 136 8.878 5.470 11.920 1.00 0.00 H new ATOM 0 HG CYS A 136 7.615 7.571 10.129 1.00 0.00 H new ATOM 596 N THR A 137 8.907 7.987 14.797 1.00 0.00 N ATOM 597 CA THR A 137 8.081 8.059 15.996 1.00 0.00 C ATOM 598 C THR A 137 6.868 8.953 15.775 1.00 0.00 C ATOM 599 O THR A 137 6.892 9.855 14.940 1.00 0.00 O ATOM 600 CB THR A 137 8.881 8.585 17.203 1.00 0.00 C ATOM 601 OG1 THR A 137 9.340 9.916 16.932 1.00 0.00 O ATOM 602 CG2 THR A 137 10.078 7.688 17.483 1.00 0.00 C ATOM 0 H THR A 137 9.194 8.894 14.429 1.00 0.00 H new ATOM 0 HA THR A 137 7.747 7.044 16.209 1.00 0.00 H new ATOM 0 HB THR A 137 8.230 8.588 18.077 1.00 0.00 H new ATOM 0 HG1 THR A 137 9.847 10.250 17.701 1.00 0.00 H new ATOM 0 HG21 THR A 137 10.631 8.076 18.339 1.00 0.00 H new ATOM 0 HG22 THR A 137 9.732 6.678 17.702 1.00 0.00 H new ATOM 0 HG23 THR A 137 10.730 7.667 16.609 1.00 0.00 H new ATOM 610 N VAL A 138 5.806 8.697 16.534 1.00 0.00 N ATOM 611 CA VAL A 138 4.588 9.493 16.439 1.00 0.00 C ATOM 612 C VAL A 138 4.123 9.952 17.816 1.00 0.00 C ATOM 613 O VAL A 138 3.911 9.138 18.713 1.00 0.00 O ATOM 614 CB VAL A 138 3.452 8.708 15.759 1.00 0.00 C ATOM 615 CG1 VAL A 138 2.185 9.549 15.700 1.00 0.00 C ATOM 616 CG2 VAL A 138 3.865 8.273 14.361 1.00 0.00 C ATOM 0 H VAL A 138 5.765 7.944 17.221 1.00 0.00 H new ATOM 0 HA VAL A 138 4.828 10.365 15.830 1.00 0.00 H new ATOM 0 HB VAL A 138 3.249 7.816 16.352 1.00 0.00 H new ATOM 0 HG11 VAL A 138 1.392 8.979 15.216 1.00 0.00 H new ATOM 0 HG12 VAL A 138 1.877 9.814 16.711 1.00 0.00 H new ATOM 0 HG13 VAL A 138 2.378 10.458 15.130 1.00 0.00 H new ATOM 0 HG21 VAL A 138 3.049 7.720 13.896 1.00 0.00 H new ATOM 0 HG22 VAL A 138 4.096 9.152 13.760 1.00 0.00 H new ATOM 0 HG23 VAL A 138 4.747 7.635 14.424 1.00 0.00 H new ATOM 626 N GLU A 139 3.963 11.262 17.973 1.00 0.00 N ATOM 627 CA GLU A 139 3.472 11.828 19.224 1.00 0.00 C ATOM 628 C GLU A 139 2.009 12.234 19.107 1.00 0.00 C ATOM 629 O GLU A 139 1.661 13.119 18.324 1.00 0.00 O ATOM 630 CB GLU A 139 4.322 13.033 19.637 1.00 0.00 C ATOM 631 CG GLU A 139 3.902 13.676 20.951 1.00 0.00 C ATOM 632 CD GLU A 139 4.809 14.820 21.313 1.00 0.00 C ATOM 633 OE1 GLU A 139 5.718 15.092 20.566 1.00 0.00 O ATOM 634 OE2 GLU A 139 4.528 15.493 22.276 1.00 0.00 O ATOM 0 H GLU A 139 4.166 11.952 17.249 1.00 0.00 H new ATOM 0 HA GLU A 139 3.552 11.059 19.992 1.00 0.00 H new ATOM 0 HB2 GLU A 139 5.363 12.718 19.716 1.00 0.00 H new ATOM 0 HB3 GLU A 139 4.275 13.783 18.848 1.00 0.00 H new ATOM 0 HG2 GLU A 139 2.875 14.034 20.872 1.00 0.00 H new ATOM 0 HG3 GLU A 139 3.919 12.930 21.745 1.00 0.00 H new ATOM 641 N ILE A 140 1.155 11.585 19.891 1.00 0.00 N ATOM 642 CA ILE A 140 -0.274 11.875 19.873 1.00 0.00 C ATOM 643 C ILE A 140 -0.793 12.173 21.274 1.00 0.00 C ATOM 644 O ILE A 140 -0.639 11.363 22.188 1.00 0.00 O ATOM 645 CB ILE A 140 -1.079 10.708 19.274 1.00 0.00 C ATOM 646 CG1 ILE A 140 -2.578 10.916 19.511 1.00 0.00 C ATOM 647 CG2 ILE A 140 -0.622 9.385 19.871 1.00 0.00 C ATOM 648 CD1 ILE A 140 -3.175 12.037 18.690 1.00 0.00 C ATOM 0 H ILE A 140 1.428 10.854 20.548 1.00 0.00 H new ATOM 0 HA ILE A 140 -0.408 12.756 19.245 1.00 0.00 H new ATOM 0 HB ILE A 140 -0.901 10.680 18.199 1.00 0.00 H new ATOM 0 HG12 ILE A 140 -3.105 9.990 19.282 1.00 0.00 H new ATOM 0 HG13 ILE A 140 -2.744 11.124 20.568 1.00 0.00 H new ATOM 0 HG21 ILE A 140 -1.201 8.570 19.437 1.00 0.00 H new ATOM 0 HG22 ILE A 140 0.435 9.234 19.654 1.00 0.00 H new ATOM 0 HG23 ILE A 140 -0.772 9.402 20.950 1.00 0.00 H new ATOM 0 HD11 ILE A 140 -4.239 12.124 18.912 1.00 0.00 H new ATOM 0 HD12 ILE A 140 -2.675 12.974 18.936 1.00 0.00 H new ATOM 0 HD13 ILE A 140 -3.042 11.822 17.630 1.00 0.00 H new ATOM 660 N GLY A 141 -1.408 13.338 21.435 1.00 0.00 N ATOM 661 CA GLY A 141 -1.921 13.761 22.733 1.00 0.00 C ATOM 662 C GLY A 141 -0.793 13.922 23.745 1.00 0.00 C ATOM 663 O GLY A 141 -1.011 13.823 24.953 1.00 0.00 O ATOM 0 H GLY A 141 -1.564 14.008 20.682 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -2.455 14.705 22.626 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -2.640 13.028 23.099 1.00 0.00 H new ATOM 667 N GLY A 142 0.412 14.173 23.245 1.00 0.00 N ATOM 668 CA GLY A 142 1.579 14.335 24.103 1.00 0.00 C ATOM 669 C GLY A 142 2.202 12.988 24.447 1.00 0.00 C ATOM 670 O GLY A 142 3.152 12.913 25.225 1.00 0.00 O ATOM 0 H GLY A 142 0.606 14.269 22.248 1.00 0.00 H new ATOM 0 HA2 GLY A 142 2.317 14.963 23.603 1.00 0.00 H new ATOM 0 HA3 GLY A 142 1.291 14.850 25.019 1.00 0.00 H new ATOM 674 N ILE A 143 1.662 11.925 23.859 1.00 0.00 N ATOM 675 CA ILE A 143 2.151 10.576 24.118 1.00 0.00 C ATOM 676 C ILE A 143 2.927 10.034 22.924 1.00 0.00 C ATOM 677 O ILE A 143 2.364 9.825 21.849 1.00 0.00 O ATOM 678 CB ILE A 143 0.998 9.611 24.449 1.00 0.00 C ATOM 679 CG1 ILE A 143 0.207 10.119 25.658 1.00 0.00 C ATOM 680 CG2 ILE A 143 1.534 8.212 24.711 1.00 0.00 C ATOM 681 CD1 ILE A 143 -1.080 9.366 25.907 1.00 0.00 C ATOM 0 H ILE A 143 0.885 11.972 23.200 1.00 0.00 H new ATOM 0 HA ILE A 143 2.815 10.642 24.980 1.00 0.00 H new ATOM 0 HB ILE A 143 0.326 9.567 23.592 1.00 0.00 H new ATOM 0 HG12 ILE A 143 0.835 10.050 26.546 1.00 0.00 H new ATOM 0 HG13 ILE A 143 -0.023 11.174 25.512 1.00 0.00 H new ATOM 0 HG21 ILE A 143 0.706 7.543 24.943 1.00 0.00 H new ATOM 0 HG22 ILE A 143 2.055 7.850 23.825 1.00 0.00 H new ATOM 0 HG23 ILE A 143 2.226 8.239 25.553 1.00 0.00 H new ATOM 0 HD11 ILE A 143 -1.583 9.784 26.779 1.00 0.00 H new ATOM 0 HD12 ILE A 143 -1.729 9.456 25.036 1.00 0.00 H new ATOM 0 HD13 ILE A 143 -0.857 8.314 26.086 1.00 0.00 H new ATOM 693 N LYS A 144 4.221 9.808 23.120 1.00 0.00 N ATOM 694 CA LYS A 144 5.096 9.381 22.036 1.00 0.00 C ATOM 695 C LYS A 144 5.089 7.864 21.884 1.00 0.00 C ATOM 696 O LYS A 144 5.179 7.133 22.871 1.00 0.00 O ATOM 697 CB LYS A 144 6.524 9.878 22.271 1.00 0.00 C ATOM 698 CG LYS A 144 6.685 11.390 22.187 1.00 0.00 C ATOM 699 CD LYS A 144 8.125 11.808 22.448 1.00 0.00 C ATOM 700 CE LYS A 144 8.281 13.321 22.395 1.00 0.00 C ATOM 701 NZ LYS A 144 9.682 13.746 22.660 1.00 0.00 N ATOM 0 H LYS A 144 4.687 9.914 24.021 1.00 0.00 H new ATOM 0 HA LYS A 144 4.716 9.818 21.112 1.00 0.00 H new ATOM 0 HB2 LYS A 144 6.855 9.544 23.254 1.00 0.00 H new ATOM 0 HB3 LYS A 144 7.183 9.413 21.538 1.00 0.00 H new ATOM 0 HG2 LYS A 144 6.377 11.736 21.201 1.00 0.00 H new ATOM 0 HG3 LYS A 144 6.028 11.869 22.913 1.00 0.00 H new ATOM 0 HD2 LYS A 144 8.441 11.442 23.425 1.00 0.00 H new ATOM 0 HD3 LYS A 144 8.779 11.347 21.708 1.00 0.00 H new ATOM 0 HE2 LYS A 144 7.971 13.683 21.415 1.00 0.00 H new ATOM 0 HE3 LYS A 144 7.618 13.780 23.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 9.745 14.783 22.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 9.970 13.423 23.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 10.312 13.329 21.945 1.00 0.00 H new ATOM 715 N TYR A 145 4.981 7.400 20.646 1.00 0.00 N ATOM 716 CA TYR A 145 5.136 5.981 20.343 1.00 0.00 C ATOM 717 C TYR A 145 6.274 5.750 19.356 1.00 0.00 C ATOM 718 O TYR A 145 6.447 6.510 18.405 1.00 0.00 O ATOM 719 CB TYR A 145 3.833 5.406 19.786 1.00 0.00 C ATOM 720 CG TYR A 145 2.688 5.411 20.774 1.00 0.00 C ATOM 721 CD1 TYR A 145 2.515 4.364 21.667 1.00 0.00 C ATOM 722 CD2 TYR A 145 1.783 6.462 20.811 1.00 0.00 C ATOM 723 CE1 TYR A 145 1.471 4.363 22.573 1.00 0.00 C ATOM 724 CE2 TYR A 145 0.735 6.472 21.712 1.00 0.00 C ATOM 725 CZ TYR A 145 0.583 5.419 22.592 1.00 0.00 C ATOM 726 OH TYR A 145 -0.458 5.423 23.490 1.00 0.00 O ATOM 0 H TYR A 145 4.786 7.985 19.834 1.00 0.00 H new ATOM 0 HA TYR A 145 5.380 5.467 21.273 1.00 0.00 H new ATOM 0 HB2 TYR A 145 3.542 5.978 18.905 1.00 0.00 H new ATOM 0 HB3 TYR A 145 4.011 4.382 19.456 1.00 0.00 H new ATOM 0 HD1 TYR A 145 3.208 3.535 21.654 1.00 0.00 H new ATOM 0 HD2 TYR A 145 1.900 7.287 20.124 1.00 0.00 H new ATOM 0 HE1 TYR A 145 1.351 3.540 23.262 1.00 0.00 H new ATOM 0 HE2 TYR A 145 0.040 7.298 21.728 1.00 0.00 H new ATOM 0 HH TYR A 145 -0.989 6.238 23.372 1.00 0.00 H new ATOM 736 N THR A 146 7.047 4.695 19.590 1.00 0.00 N ATOM 737 CA THR A 146 8.204 4.394 18.755 1.00 0.00 C ATOM 738 C THR A 146 8.037 3.059 18.042 1.00 0.00 C ATOM 739 O THR A 146 7.702 2.049 18.663 1.00 0.00 O ATOM 740 CB THR A 146 9.504 4.363 19.581 1.00 0.00 C ATOM 741 OG1 THR A 146 9.702 5.635 20.212 1.00 0.00 O ATOM 742 CG2 THR A 146 10.696 4.053 18.689 1.00 0.00 C ATOM 0 H THR A 146 6.893 4.034 20.351 1.00 0.00 H new ATOM 0 HA THR A 146 8.272 5.192 18.015 1.00 0.00 H new ATOM 0 HB THR A 146 9.417 3.583 20.338 1.00 0.00 H new ATOM 0 HG1 THR A 146 10.528 5.614 20.739 1.00 0.00 H new ATOM 0 HG21 THR A 146 11.605 4.035 19.290 1.00 0.00 H new ATOM 0 HG22 THR A 146 10.554 3.081 18.217 1.00 0.00 H new ATOM 0 HG23 THR A 146 10.784 4.820 17.920 1.00 0.00 H new ATOM 750 N GLY A 147 8.272 3.059 16.734 1.00 0.00 N ATOM 751 CA GLY A 147 8.127 1.852 15.929 1.00 0.00 C ATOM 752 C GLY A 147 9.438 1.082 15.848 1.00 0.00 C ATOM 753 O GLY A 147 10.372 1.346 16.608 1.00 0.00 O ATOM 0 H GLY A 147 8.564 3.883 16.208 1.00 0.00 H new ATOM 0 HA2 GLY A 147 7.354 1.215 16.360 1.00 0.00 H new ATOM 0 HA3 GLY A 147 7.797 2.119 14.925 1.00 0.00 H new ATOM 757 N ALA A 148 9.505 0.129 14.925 1.00 0.00 N ATOM 758 CA ALA A 148 10.705 -0.678 14.741 1.00 0.00 C ATOM 759 C ALA A 148 11.554 -0.148 13.593 1.00 0.00 C ATOM 760 O ALA A 148 11.028 0.343 12.594 1.00 0.00 O ATOM 761 CB ALA A 148 10.333 -2.132 14.502 1.00 0.00 C ATOM 0 H ALA A 148 8.740 -0.104 14.291 1.00 0.00 H new ATOM 0 HA ALA A 148 11.298 -0.614 15.653 1.00 0.00 H new ATOM 0 HB1 ALA A 148 11.239 -2.722 14.366 1.00 0.00 H new ATOM 0 HB2 ALA A 148 9.778 -2.511 15.360 1.00 0.00 H new ATOM 0 HB3 ALA A 148 9.714 -2.207 13.608 1.00 0.00 H new ATOM 767 N ALA A 149 12.871 -0.252 13.741 1.00 0.00 N ATOM 768 CA ALA A 149 13.796 0.219 12.717 1.00 0.00 C ATOM 769 C ALA A 149 13.650 -0.585 11.432 1.00 0.00 C ATOM 770 O ALA A 149 13.478 -1.803 11.466 1.00 0.00 O ATOM 771 CB ALA A 149 15.228 0.155 13.226 1.00 0.00 C ATOM 0 H ALA A 149 13.322 -0.659 14.561 1.00 0.00 H new ATOM 0 HA ALA A 149 13.551 1.257 12.493 1.00 0.00 H new ATOM 0 HB1 ALA A 149 15.906 0.510 12.450 1.00 0.00 H new ATOM 0 HB2 ALA A 149 15.328 0.784 14.111 1.00 0.00 H new ATOM 0 HB3 ALA A 149 15.477 -0.875 13.483 1.00 0.00 H new ATOM 777 N THR A 150 13.720 0.103 10.297 1.00 0.00 N ATOM 778 CA THR A 150 13.570 -0.541 8.998 1.00 0.00 C ATOM 779 C THR A 150 14.719 -0.179 8.068 1.00 0.00 C ATOM 780 O THR A 150 15.609 0.589 8.433 1.00 0.00 O ATOM 781 CB THR A 150 12.238 -0.157 8.328 1.00 0.00 C ATOM 782 OG1 THR A 150 12.231 1.248 8.044 1.00 0.00 O ATOM 783 CG2 THR A 150 11.066 -0.493 9.237 1.00 0.00 C ATOM 0 H THR A 150 13.880 1.109 10.251 1.00 0.00 H new ATOM 0 HA THR A 150 13.578 -1.616 9.177 1.00 0.00 H new ATOM 0 HB THR A 150 12.139 -0.723 7.402 1.00 0.00 H new ATOM 0 HG1 THR A 150 12.461 1.393 7.102 1.00 0.00 H new ATOM 0 HG21 THR A 150 10.133 -0.214 8.746 1.00 0.00 H new ATOM 0 HG22 THR A 150 11.061 -1.563 9.444 1.00 0.00 H new ATOM 0 HG23 THR A 150 11.162 0.057 10.173 1.00 0.00 H new ATOM 791 N ARG A 151 14.694 -0.735 6.861 1.00 0.00 N ATOM 792 CA ARG A 151 15.783 -0.550 5.909 1.00 0.00 C ATOM 793 C ARG A 151 15.686 0.804 5.218 1.00 0.00 C ATOM 794 O ARG A 151 16.702 1.437 4.927 1.00 0.00 O ATOM 795 CB ARG A 151 15.864 -1.686 4.901 1.00 0.00 C ATOM 796 CG ARG A 151 16.324 -3.018 5.473 1.00 0.00 C ATOM 797 CD ARG A 151 16.341 -4.133 4.492 1.00 0.00 C ATOM 798 NE ARG A 151 16.812 -5.400 5.027 1.00 0.00 N ATOM 799 CZ ARG A 151 16.770 -6.573 4.364 1.00 0.00 C ATOM 800 NH1 ARG A 151 16.247 -6.653 3.162 1.00 0.00 N ATOM 801 NH2 ARG A 151 17.248 -7.648 4.968 1.00 0.00 N ATOM 0 H ARG A 151 13.930 -1.318 6.519 1.00 0.00 H new ATOM 0 HA ARG A 151 16.712 -0.569 6.478 1.00 0.00 H new ATOM 0 HB2 ARG A 151 14.882 -1.821 4.448 1.00 0.00 H new ATOM 0 HB3 ARG A 151 16.546 -1.395 4.102 1.00 0.00 H new ATOM 0 HG2 ARG A 151 17.326 -2.897 5.884 1.00 0.00 H new ATOM 0 HG3 ARG A 151 15.670 -3.289 6.302 1.00 0.00 H new ATOM 0 HD2 ARG A 151 15.333 -4.271 4.100 1.00 0.00 H new ATOM 0 HD3 ARG A 151 16.974 -3.850 3.651 1.00 0.00 H new ATOM 0 HE ARG A 151 17.201 -5.402 5.970 1.00 0.00 H new ATOM 0 HH11 ARG A 151 15.864 -5.819 2.716 1.00 0.00 H new ATOM 0 HH12 ARG A 151 16.223 -7.549 2.675 1.00 0.00 H new ATOM 0 HH21 ARG A 151 17.634 -7.575 5.909 1.00 0.00 H new ATOM 0 HH22 ARG A 151 17.230 -8.550 4.493 1.00 0.00 H new ATOM 815 N THR A 152 14.460 1.242 4.956 1.00 0.00 N ATOM 816 CA THR A 152 14.230 2.485 4.230 1.00 0.00 C ATOM 817 C THR A 152 13.321 3.423 5.013 1.00 0.00 C ATOM 818 O THR A 152 12.656 3.006 5.962 1.00 0.00 O ATOM 819 CB THR A 152 13.609 2.224 2.844 1.00 0.00 C ATOM 820 OG1 THR A 152 12.322 1.613 3.003 1.00 0.00 O ATOM 821 CG2 THR A 152 14.504 1.307 2.023 1.00 0.00 C ATOM 0 H THR A 152 13.609 0.754 5.236 1.00 0.00 H new ATOM 0 HA THR A 152 15.205 2.955 4.099 1.00 0.00 H new ATOM 0 HB THR A 152 13.506 3.176 2.323 1.00 0.00 H new ATOM 0 HG1 THR A 152 12.432 0.647 3.128 1.00 0.00 H new ATOM 0 HG21 THR A 152 14.050 1.133 1.047 1.00 0.00 H new ATOM 0 HG22 THR A 152 15.480 1.774 1.891 1.00 0.00 H new ATOM 0 HG23 THR A 152 14.624 0.356 2.542 1.00 0.00 H new ATOM 829 N LYS A 153 13.295 4.688 4.612 1.00 0.00 N ATOM 830 CA LYS A 153 12.483 5.691 5.290 1.00 0.00 C ATOM 831 C LYS A 153 10.997 5.412 5.107 1.00 0.00 C ATOM 832 O LYS A 153 10.207 5.567 6.039 1.00 0.00 O ATOM 833 CB LYS A 153 12.822 7.091 4.777 1.00 0.00 C ATOM 834 CG LYS A 153 12.063 8.216 5.469 1.00 0.00 C ATOM 835 CD LYS A 153 12.517 9.579 4.968 1.00 0.00 C ATOM 836 CE LYS A 153 11.740 10.703 5.640 1.00 0.00 C ATOM 837 NZ LYS A 153 12.160 12.042 5.145 1.00 0.00 N ATOM 0 H LYS A 153 13.828 5.044 3.819 1.00 0.00 H new ATOM 0 HA LYS A 153 12.711 5.640 6.355 1.00 0.00 H new ATOM 0 HB2 LYS A 153 13.892 7.261 4.901 1.00 0.00 H new ATOM 0 HB3 LYS A 153 12.614 7.133 3.708 1.00 0.00 H new ATOM 0 HG2 LYS A 153 10.994 8.099 5.292 1.00 0.00 H new ATOM 0 HG3 LYS A 153 12.217 8.152 6.546 1.00 0.00 H new ATOM 0 HD2 LYS A 153 13.582 9.704 5.162 1.00 0.00 H new ATOM 0 HD3 LYS A 153 12.381 9.635 3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 153 10.674 10.567 5.458 1.00 0.00 H new ATOM 0 HE3 LYS A 153 11.888 10.652 6.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 11.607 12.779 5.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 13.171 12.183 5.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 11.995 12.101 4.120 1.00 0.00 H new ATOM 851 N LYS A 154 10.622 5.001 3.901 1.00 0.00 N ATOM 852 CA LYS A 154 9.234 4.662 3.605 1.00 0.00 C ATOM 853 C LYS A 154 8.759 3.487 4.450 1.00 0.00 C ATOM 854 O LYS A 154 7.626 3.472 4.929 1.00 0.00 O ATOM 855 CB LYS A 154 9.066 4.342 2.118 1.00 0.00 C ATOM 856 CG LYS A 154 9.200 5.547 1.196 1.00 0.00 C ATOM 857 CD LYS A 154 9.019 5.151 -0.262 1.00 0.00 C ATOM 858 CE LYS A 154 9.179 6.348 -1.186 1.00 0.00 C ATOM 859 NZ LYS A 154 9.035 5.970 -2.617 1.00 0.00 N ATOM 0 H LYS A 154 11.259 4.894 3.112 1.00 0.00 H new ATOM 0 HA LYS A 154 8.621 5.528 3.853 1.00 0.00 H new ATOM 0 HB2 LYS A 154 9.809 3.597 1.833 1.00 0.00 H new ATOM 0 HB3 LYS A 154 8.086 3.890 1.965 1.00 0.00 H new ATOM 0 HG2 LYS A 154 8.458 6.298 1.466 1.00 0.00 H new ATOM 0 HG3 LYS A 154 10.180 6.004 1.332 1.00 0.00 H new ATOM 0 HD2 LYS A 154 9.749 4.386 -0.526 1.00 0.00 H new ATOM 0 HD3 LYS A 154 8.031 4.711 -0.401 1.00 0.00 H new ATOM 0 HE2 LYS A 154 8.434 7.103 -0.934 1.00 0.00 H new ATOM 0 HE3 LYS A 154 10.158 6.800 -1.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 9.151 6.815 -3.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 9.762 5.269 -2.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 8.092 5.562 -2.775 1.00 0.00 H new ATOM 873 N ASP A 155 9.635 2.504 4.631 1.00 0.00 N ATOM 874 CA ASP A 155 9.333 1.355 5.476 1.00 0.00 C ATOM 875 C ASP A 155 9.235 1.759 6.941 1.00 0.00 C ATOM 876 O ASP A 155 8.432 1.211 7.695 1.00 0.00 O ATOM 877 CB ASP A 155 10.394 0.267 5.302 1.00 0.00 C ATOM 878 CG ASP A 155 10.283 -0.518 4.001 1.00 0.00 C ATOM 879 OD1 ASP A 155 9.257 -0.438 3.368 1.00 0.00 O ATOM 880 OD2 ASP A 155 11.271 -1.065 3.573 1.00 0.00 O ATOM 0 H ASP A 155 10.561 2.480 4.203 1.00 0.00 H new ATOM 0 HA ASP A 155 8.366 0.959 5.165 1.00 0.00 H new ATOM 0 HB2 ASP A 155 11.381 0.728 5.351 1.00 0.00 H new ATOM 0 HB3 ASP A 155 10.325 -0.428 6.139 1.00 0.00 H new ATOM 885 N ALA A 156 10.058 2.725 7.340 1.00 0.00 N ATOM 886 CA ALA A 156 10.007 3.265 8.693 1.00 0.00 C ATOM 887 C ALA A 156 8.675 3.955 8.959 1.00 0.00 C ATOM 888 O ALA A 156 8.134 3.874 10.063 1.00 0.00 O ATOM 889 CB ALA A 156 11.160 4.229 8.922 1.00 0.00 C ATOM 0 H ALA A 156 10.769 3.149 6.744 1.00 0.00 H new ATOM 0 HA ALA A 156 10.101 2.434 9.392 1.00 0.00 H new ATOM 0 HB1 ALA A 156 11.108 4.624 9.937 1.00 0.00 H new ATOM 0 HB2 ALA A 156 12.106 3.704 8.785 1.00 0.00 H new ATOM 0 HB3 ALA A 156 11.094 5.051 8.209 1.00 0.00 H new ATOM 895 N GLU A 157 8.153 4.634 7.946 1.00 0.00 N ATOM 896 CA GLU A 157 6.835 5.252 8.035 1.00 0.00 C ATOM 897 C GLU A 157 5.741 4.199 8.176 1.00 0.00 C ATOM 898 O GLU A 157 4.791 4.376 8.938 1.00 0.00 O ATOM 899 CB GLU A 157 6.568 6.127 6.808 1.00 0.00 C ATOM 900 CG GLU A 157 7.401 7.399 6.750 1.00 0.00 C ATOM 901 CD GLU A 157 7.178 8.140 5.462 1.00 0.00 C ATOM 902 OE1 GLU A 157 6.464 7.640 4.627 1.00 0.00 O ATOM 903 OE2 GLU A 157 7.631 9.256 5.355 1.00 0.00 O ATOM 0 H GLU A 157 8.623 4.771 7.051 1.00 0.00 H new ATOM 0 HA GLU A 157 6.821 5.880 8.926 1.00 0.00 H new ATOM 0 HB2 GLU A 157 6.760 5.540 5.910 1.00 0.00 H new ATOM 0 HB3 GLU A 157 5.512 6.398 6.793 1.00 0.00 H new ATOM 0 HG2 GLU A 157 7.145 8.043 7.591 1.00 0.00 H new ATOM 0 HG3 GLU A 157 8.457 7.149 6.850 1.00 0.00 H new ATOM 910 N ILE A 158 5.881 3.105 7.435 1.00 0.00 N ATOM 911 CA ILE A 158 4.976 1.971 7.565 1.00 0.00 C ATOM 912 C ILE A 158 5.043 1.371 8.964 1.00 0.00 C ATOM 913 O ILE A 158 4.017 1.040 9.558 1.00 0.00 O ATOM 914 CB ILE A 158 5.291 0.874 6.531 1.00 0.00 C ATOM 915 CG1 ILE A 158 4.973 1.367 5.117 1.00 0.00 C ATOM 916 CG2 ILE A 158 4.511 -0.393 6.845 1.00 0.00 C ATOM 917 CD1 ILE A 158 5.496 0.464 4.023 1.00 0.00 C ATOM 0 H ILE A 158 6.614 2.980 6.737 1.00 0.00 H new ATOM 0 HA ILE A 158 3.970 2.350 7.383 1.00 0.00 H new ATOM 0 HB ILE A 158 6.355 0.643 6.584 1.00 0.00 H new ATOM 0 HG12 ILE A 158 3.892 1.463 5.010 1.00 0.00 H new ATOM 0 HG13 ILE A 158 5.396 2.363 4.986 1.00 0.00 H new ATOM 0 HG21 ILE A 158 4.746 -1.158 6.104 1.00 0.00 H new ATOM 0 HG22 ILE A 158 4.785 -0.752 7.837 1.00 0.00 H new ATOM 0 HG23 ILE A 158 3.443 -0.178 6.819 1.00 0.00 H new ATOM 0 HD11 ILE A 158 5.231 0.880 3.051 1.00 0.00 H new ATOM 0 HD12 ILE A 158 6.580 0.387 4.102 1.00 0.00 H new ATOM 0 HD13 ILE A 158 5.054 -0.527 4.127 1.00 0.00 H new ATOM 929 N SER A 159 6.258 1.234 9.486 1.00 0.00 N ATOM 930 CA SER A 159 6.460 0.693 10.824 1.00 0.00 C ATOM 931 C SER A 159 5.750 1.538 11.874 1.00 0.00 C ATOM 932 O SER A 159 5.052 1.013 12.741 1.00 0.00 O ATOM 933 CB SER A 159 7.942 0.603 11.133 1.00 0.00 C ATOM 934 OG SER A 159 8.183 0.089 12.414 1.00 0.00 O ATOM 0 H SER A 159 7.118 1.491 9.001 1.00 0.00 H new ATOM 0 HA SER A 159 6.030 -0.308 10.853 1.00 0.00 H new ATOM 0 HB2 SER A 159 8.429 -0.030 10.391 1.00 0.00 H new ATOM 0 HB3 SER A 159 8.390 1.593 11.050 1.00 0.00 H new ATOM 0 HG SER A 159 8.948 -0.522 12.383 1.00 0.00 H new ATOM 940 N ALA A 160 5.932 2.853 11.790 1.00 0.00 N ATOM 941 CA ALA A 160 5.286 3.776 12.714 1.00 0.00 C ATOM 942 C ALA A 160 3.772 3.754 12.546 1.00 0.00 C ATOM 943 O ALA A 160 3.029 3.881 13.519 1.00 0.00 O ATOM 944 CB ALA A 160 5.822 5.185 12.518 1.00 0.00 C ATOM 0 H ALA A 160 6.523 3.302 11.090 1.00 0.00 H new ATOM 0 HA ALA A 160 5.516 3.452 13.729 1.00 0.00 H new ATOM 0 HB1 ALA A 160 5.329 5.862 13.216 1.00 0.00 H new ATOM 0 HB2 ALA A 160 6.896 5.194 12.701 1.00 0.00 H new ATOM 0 HB3 ALA A 160 5.625 5.510 11.496 1.00 0.00 H new ATOM 950 N GLY A 161 3.322 3.594 11.306 1.00 0.00 N ATOM 951 CA GLY A 161 1.897 3.485 11.017 1.00 0.00 C ATOM 952 C GLY A 161 1.293 2.257 11.686 1.00 0.00 C ATOM 953 O GLY A 161 0.167 2.299 12.183 1.00 0.00 O ATOM 0 H GLY A 161 3.924 3.537 10.485 1.00 0.00 H new ATOM 0 HA2 GLY A 161 1.383 4.381 11.364 1.00 0.00 H new ATOM 0 HA3 GLY A 161 1.745 3.427 9.939 1.00 0.00 H new ATOM 957 N ARG A 162 2.047 1.163 11.696 1.00 0.00 N ATOM 958 CA ARG A 162 1.613 -0.060 12.360 1.00 0.00 C ATOM 959 C ARG A 162 1.531 0.132 13.869 1.00 0.00 C ATOM 960 O ARG A 162 0.602 -0.352 14.515 1.00 0.00 O ATOM 961 CB ARG A 162 2.488 -1.252 11.996 1.00 0.00 C ATOM 962 CG ARG A 162 2.333 -1.747 10.568 1.00 0.00 C ATOM 963 CD ARG A 162 3.267 -2.840 10.194 1.00 0.00 C ATOM 964 NE ARG A 162 3.141 -3.297 8.819 1.00 0.00 N ATOM 965 CZ ARG A 162 3.931 -4.225 8.246 1.00 0.00 C ATOM 966 NH1 ARG A 162 4.928 -4.769 8.908 1.00 0.00 N ATOM 967 NH2 ARG A 162 3.694 -4.556 6.989 1.00 0.00 N ATOM 0 H ARG A 162 2.963 1.099 11.251 1.00 0.00 H new ATOM 0 HA ARG A 162 0.610 -0.283 11.997 1.00 0.00 H new ATOM 0 HB2 ARG A 162 3.531 -0.982 12.160 1.00 0.00 H new ATOM 0 HB3 ARG A 162 2.260 -2.073 12.676 1.00 0.00 H new ATOM 0 HG2 ARG A 162 1.310 -2.095 10.426 1.00 0.00 H new ATOM 0 HG3 ARG A 162 2.482 -0.909 9.887 1.00 0.00 H new ATOM 0 HD2 ARG A 162 4.289 -2.499 10.358 1.00 0.00 H new ATOM 0 HD3 ARG A 162 3.102 -3.686 10.861 1.00 0.00 H new ATOM 0 HE ARG A 162 2.402 -2.886 8.249 1.00 0.00 H new ATOM 0 HH11 ARG A 162 5.113 -4.490 9.871 1.00 0.00 H new ATOM 0 HH12 ARG A 162 5.516 -5.470 8.458 1.00 0.00 H new ATOM 0 HH21 ARG A 162 2.930 -4.112 6.480 1.00 0.00 H new ATOM 0 HH22 ARG A 162 4.275 -5.256 6.528 1.00 0.00 H new ATOM 981 N THR A 163 2.508 0.840 14.424 1.00 0.00 N ATOM 982 CA THR A 163 2.512 1.155 15.848 1.00 0.00 C ATOM 983 C THR A 163 1.379 2.108 16.205 1.00 0.00 C ATOM 984 O THR A 163 0.837 2.058 17.309 1.00 0.00 O ATOM 985 CB THR A 163 3.850 1.779 16.285 1.00 0.00 C ATOM 986 OG1 THR A 163 4.915 0.847 16.052 1.00 0.00 O ATOM 987 CG2 THR A 163 3.813 2.141 17.762 1.00 0.00 C ATOM 0 H THR A 163 3.308 1.207 13.909 1.00 0.00 H new ATOM 0 HA THR A 163 2.371 0.213 16.378 1.00 0.00 H new ATOM 0 HB THR A 163 4.017 2.685 15.703 1.00 0.00 H new ATOM 0 HG1 THR A 163 5.084 0.777 15.089 1.00 0.00 H new ATOM 0 HG21 THR A 163 4.767 2.581 18.053 1.00 0.00 H new ATOM 0 HG22 THR A 163 3.013 2.859 17.941 1.00 0.00 H new ATOM 0 HG23 THR A 163 3.632 1.243 18.352 1.00 0.00 H new ATOM 995 N ALA A 164 1.024 2.975 15.263 1.00 0.00 N ATOM 996 CA ALA A 164 -0.110 3.876 15.439 1.00 0.00 C ATOM 997 C ALA A 164 -1.418 3.102 15.533 1.00 0.00 C ATOM 998 O ALA A 164 -2.198 3.294 16.466 1.00 0.00 O ATOM 999 CB ALA A 164 -0.167 4.883 14.300 1.00 0.00 C ATOM 0 H ALA A 164 1.505 3.073 14.369 1.00 0.00 H new ATOM 0 HA ALA A 164 0.028 4.415 16.376 1.00 0.00 H new ATOM 0 HB1 ALA A 164 -1.018 5.548 14.445 1.00 0.00 H new ATOM 0 HB2 ALA A 164 0.753 5.468 14.285 1.00 0.00 H new ATOM 0 HB3 ALA A 164 -0.276 4.355 13.353 1.00 0.00 H new ATOM 1005 N LEU A 165 -1.654 2.228 14.561 1.00 0.00 N ATOM 1006 CA LEU A 165 -2.818 1.351 14.586 1.00 0.00 C ATOM 1007 C LEU A 165 -2.958 0.658 15.936 1.00 0.00 C ATOM 1008 O LEU A 165 -4.036 0.649 16.530 1.00 0.00 O ATOM 1009 CB LEU A 165 -2.724 0.312 13.460 1.00 0.00 C ATOM 1010 CG LEU A 165 -3.904 -0.664 13.372 1.00 0.00 C ATOM 1011 CD1 LEU A 165 -5.189 0.096 13.070 1.00 0.00 C ATOM 1012 CD2 LEU A 165 -3.625 -1.702 12.295 1.00 0.00 C ATOM 0 H LEU A 165 -1.054 2.108 13.745 1.00 0.00 H new ATOM 0 HA LEU A 165 -3.706 1.964 14.430 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -2.636 0.837 12.509 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -1.807 -0.262 13.593 1.00 0.00 H new ATOM 0 HG LEU A 165 -4.027 -1.174 14.327 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -6.021 -0.606 13.009 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -5.380 0.818 13.864 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -5.087 0.620 12.120 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -4.463 -2.396 12.232 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -3.494 -1.204 11.335 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -2.718 -2.251 12.546 1.00 0.00 H new