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 109 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 113 MET CE :methyl -165:sc=-0.00878 (180deg=-0.239) USER MOD Single : A 102 CYS SG : rot 180:sc= -0.248 USER MOD Single : A 103 LYS NZ :NH3+ 179:sc= 0.918 (180deg=0.917) USER MOD Single : A 104 ASN : amide:sc= -0.0115 K(o=-0.012,f=-1.4) USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-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 K(o=0,f=-1) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 150:sc= 0 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 122 CYS SG : rot 173:sc= 0.996 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= 0.114 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=-0.00878 USER MOD Single : A 136 CYS SG : rot -148:sc= 0.137 USER MOD Single : A 137 THR OG1 : rot 35:sc= 0.813 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 109:sc= 0.949 USER MOD Single : A 152 THR OG1 : rot -79:sc= 0.22 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 99:sc= 0.604 USER MOD Single : A 163 THR OG1 : rot -10:sc= 0.551 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 101 -3.940 6.838 5.960 1.00 0.00 N ATOM 2 CA LEU A 101 -5.263 6.772 6.567 1.00 0.00 C ATOM 3 C LEU A 101 -5.174 6.787 8.088 1.00 0.00 C ATOM 4 O LEU A 101 -5.949 7.468 8.758 1.00 0.00 O ATOM 5 CB LEU A 101 -6.004 5.517 6.088 1.00 0.00 C ATOM 6 CG LEU A 101 -6.412 5.523 4.609 1.00 0.00 C ATOM 7 CD1 LEU A 101 -6.991 4.170 4.221 1.00 0.00 C ATOM 8 CD2 LEU A 101 -7.423 6.633 4.364 1.00 0.00 C ATOM 0 HA LEU A 101 -5.822 7.654 6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.370 4.649 6.270 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.900 5.390 6.695 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.533 5.707 3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -7.277 4.185 3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -6.243 3.394 4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -7.868 3.961 4.833 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.712 6.636 3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.305 6.465 4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.978 7.594 4.621 1.00 0.00 H new ATOM 20 N CYS A 102 -4.222 6.031 8.625 1.00 0.00 N ATOM 21 CA CYS A 102 -4.014 5.975 10.068 1.00 0.00 C ATOM 22 C CYS A 102 -3.567 7.326 10.612 1.00 0.00 C ATOM 23 O CYS A 102 -3.946 7.716 11.717 1.00 0.00 O ATOM 24 CB CYS A 102 -2.896 4.942 10.207 1.00 0.00 C ATOM 25 SG CYS A 102 -3.392 3.244 9.828 1.00 0.00 S ATOM 0 H CYS A 102 -3.583 5.449 8.084 1.00 0.00 H new ATOM 0 HA CYS A 102 -4.917 5.720 10.622 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.075 5.223 9.548 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -2.512 4.976 11.227 1.00 0.00 H new ATOM 0 HG CYS A 102 -2.372 2.451 9.974 1.00 0.00 H new ATOM 31 N LYS A 103 -2.760 8.036 9.832 1.00 0.00 N ATOM 32 CA LYS A 103 -2.308 9.370 10.208 1.00 0.00 C ATOM 33 C LYS A 103 -3.479 10.340 10.308 1.00 0.00 C ATOM 34 O LYS A 103 -3.543 11.157 11.226 1.00 0.00 O ATOM 35 CB LYS A 103 -1.278 9.890 9.204 1.00 0.00 C ATOM 36 CG LYS A 103 0.083 9.213 9.292 1.00 0.00 C ATOM 37 CD LYS A 103 1.043 9.763 8.247 1.00 0.00 C ATOM 38 CE LYS A 103 2.412 9.107 8.352 1.00 0.00 C ATOM 39 NZ LYS A 103 3.330 9.560 7.273 1.00 0.00 N ATOM 0 H LYS A 103 -2.405 7.709 8.933 1.00 0.00 H new ATOM 0 HA LYS A 103 -1.840 9.299 11.190 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -1.672 9.757 8.196 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -1.148 10.961 9.357 1.00 0.00 H new ATOM 0 HG2 LYS A 103 0.502 9.361 10.287 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.033 8.138 9.152 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.633 9.596 7.251 1.00 0.00 H new ATOM 0 HD3 LYS A 103 1.143 10.841 8.374 1.00 0.00 H new ATOM 0 HE2 LYS A 103 2.851 9.338 9.323 1.00 0.00 H new ATOM 0 HE3 LYS A 103 2.300 8.024 8.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 4.257 9.103 7.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.932 9.302 6.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 3.444 10.592 7.325 1.00 0.00 H new ATOM 53 N ASN A 104 -4.402 10.245 9.358 1.00 0.00 N ATOM 54 CA ASN A 104 -5.607 11.065 9.376 1.00 0.00 C ATOM 55 C ASN A 104 -6.555 10.628 10.485 1.00 0.00 C ATOM 56 O ASN A 104 -7.258 11.449 11.073 1.00 0.00 O ATOM 57 CB ASN A 104 -6.319 11.035 8.036 1.00 0.00 C ATOM 58 CG ASN A 104 -5.600 11.788 6.950 1.00 0.00 C ATOM 59 OD1 ASN A 104 -4.772 12.665 7.220 1.00 0.00 O ATOM 60 ND2 ASN A 104 -5.971 11.506 5.727 1.00 0.00 N ATOM 0 H ASN A 104 -4.339 9.607 8.565 1.00 0.00 H new ATOM 0 HA ASN A 104 -5.294 12.090 9.573 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.444 9.998 7.725 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -7.318 11.455 8.156 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -5.572 12.020 4.942 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.659 10.772 5.559 1.00 0.00 H new ATOM 67 N LEU A 105 -6.568 9.330 10.767 1.00 0.00 N ATOM 68 CA LEU A 105 -7.403 8.785 11.832 1.00 0.00 C ATOM 69 C LEU A 105 -7.020 9.368 13.185 1.00 0.00 C ATOM 70 O LEU A 105 -7.879 9.804 13.950 1.00 0.00 O ATOM 71 CB LEU A 105 -7.296 7.255 11.859 1.00 0.00 C ATOM 72 CG LEU A 105 -8.103 6.565 12.966 1.00 0.00 C ATOM 73 CD1 LEU A 105 -9.589 6.842 12.779 1.00 0.00 C ATOM 74 CD2 LEU A 105 -7.826 5.069 12.940 1.00 0.00 C ATOM 0 H LEU A 105 -6.009 8.635 10.273 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.437 9.064 11.628 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.625 6.866 10.895 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.247 6.982 11.972 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.802 6.961 13.936 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.154 6.348 13.570 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.767 7.916 12.823 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.911 6.460 11.810 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -8.400 4.579 13.727 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -8.117 4.662 11.972 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.763 4.893 13.103 1.00 0.00 H new ATOM 86 N LEU A 106 -5.722 9.373 13.475 1.00 0.00 N ATOM 87 CA LEU A 106 -5.226 9.854 14.759 1.00 0.00 C ATOM 88 C LEU A 106 -5.284 11.375 14.837 1.00 0.00 C ATOM 89 O LEU A 106 -5.459 11.944 15.914 1.00 0.00 O ATOM 90 CB LEU A 106 -3.791 9.363 14.991 1.00 0.00 C ATOM 91 CG LEU A 106 -3.672 8.024 15.731 1.00 0.00 C ATOM 92 CD1 LEU A 106 -4.265 8.146 17.129 1.00 0.00 C ATOM 93 CD2 LEU A 106 -4.382 6.939 14.936 1.00 0.00 C ATOM 0 H LEU A 106 -4.995 9.049 12.837 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.869 9.452 15.542 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.294 9.272 14.025 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.251 10.122 15.557 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.620 7.754 15.829 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -4.176 7.191 17.647 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -3.727 8.912 17.687 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.317 8.422 17.055 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.297 5.988 15.462 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.435 7.199 14.824 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -3.924 6.851 13.951 1.00 0.00 H new ATOM 105 N GLN A 107 -5.137 12.027 13.689 1.00 0.00 N ATOM 106 CA GLN A 107 -5.326 13.469 13.598 1.00 0.00 C ATOM 107 C GLN A 107 -6.721 13.872 14.058 1.00 0.00 C ATOM 108 O GLN A 107 -6.877 14.777 14.878 1.00 0.00 O ATOM 109 CB GLN A 107 -5.096 13.951 12.161 1.00 0.00 C ATOM 110 CG GLN A 107 -5.249 15.450 11.976 1.00 0.00 C ATOM 111 CD GLN A 107 -4.990 15.886 10.546 1.00 0.00 C ATOM 112 OE1 GLN A 107 -4.747 15.057 9.664 1.00 0.00 O ATOM 113 NE2 GLN A 107 -5.035 17.192 10.309 1.00 0.00 N ATOM 0 H GLN A 107 -4.887 11.579 12.808 1.00 0.00 H new ATOM 0 HA GLN A 107 -4.596 13.940 14.256 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -4.094 13.658 11.847 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -5.799 13.441 11.502 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -6.256 15.748 12.267 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -4.558 15.968 12.642 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -5.240 17.841 11.068 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -4.865 17.546 9.367 1.00 0.00 H new ATOM 122 N GLU A 108 -7.733 13.196 13.525 1.00 0.00 N ATOM 123 CA GLU A 108 -9.116 13.466 13.898 1.00 0.00 C ATOM 124 C GLU A 108 -9.403 13.007 15.322 1.00 0.00 C ATOM 125 O GLU A 108 -10.154 13.650 16.052 1.00 0.00 O ATOM 126 CB GLU A 108 -10.077 12.785 12.921 1.00 0.00 C ATOM 127 CG GLU A 108 -10.084 13.387 11.523 1.00 0.00 C ATOM 128 CD GLU A 108 -10.940 12.580 10.586 1.00 0.00 C ATOM 129 OE1 GLU A 108 -11.436 11.558 10.995 1.00 0.00 O ATOM 130 OE2 GLU A 108 -11.191 13.041 9.497 1.00 0.00 O ATOM 0 H GLU A 108 -7.621 12.456 12.832 1.00 0.00 H new ATOM 0 HA GLU A 108 -9.269 14.544 13.851 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.814 11.730 12.848 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -11.086 12.834 13.330 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -10.455 14.411 11.567 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -9.065 13.433 11.139 1.00 0.00 H new ATOM 137 N TYR A 109 -8.798 11.888 15.708 1.00 0.00 N ATOM 138 CA TYR A 109 -8.928 11.379 17.070 1.00 0.00 C ATOM 139 C TYR A 109 -8.479 12.417 18.089 1.00 0.00 C ATOM 140 O TYR A 109 -9.157 12.653 19.090 1.00 0.00 O ATOM 141 CB TYR A 109 -8.118 10.092 17.239 1.00 0.00 C ATOM 142 CG TYR A 109 -8.107 9.557 18.654 1.00 0.00 C ATOM 143 CD1 TYR A 109 -9.203 8.881 19.169 1.00 0.00 C ATOM 144 CD2 TYR A 109 -6.998 9.727 19.469 1.00 0.00 C ATOM 145 CE1 TYR A 109 -9.198 8.391 20.461 1.00 0.00 C ATOM 146 CE2 TYR A 109 -6.981 9.241 20.761 1.00 0.00 C ATOM 147 CZ TYR A 109 -8.083 8.573 21.255 1.00 0.00 C ATOM 148 OH TYR A 109 -8.071 8.086 22.541 1.00 0.00 O ATOM 0 H TYR A 109 -8.213 11.317 15.098 1.00 0.00 H new ATOM 0 HA TYR A 109 -9.981 11.161 17.247 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -8.524 9.329 16.575 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -7.091 10.276 16.922 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -10.076 8.735 18.549 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -6.133 10.248 19.087 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -10.061 7.869 20.847 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -6.109 9.383 21.382 1.00 0.00 H new ATOM 0 HH TYR A 109 -7.212 8.297 22.963 1.00 0.00 H new ATOM 158 N ALA A 110 -7.331 13.036 17.833 1.00 0.00 N ATOM 159 CA ALA A 110 -6.809 14.078 18.707 1.00 0.00 C ATOM 160 C ALA A 110 -7.802 15.225 18.849 1.00 0.00 C ATOM 161 O ALA A 110 -8.049 15.712 19.953 1.00 0.00 O ATOM 162 CB ALA A 110 -5.476 14.591 18.184 1.00 0.00 C ATOM 0 H ALA A 110 -6.744 12.832 17.024 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.654 13.643 19.694 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -5.100 15.369 18.848 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.760 13.770 18.145 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.612 15.002 17.184 1.00 0.00 H new ATOM 168 N GLN A 111 -8.370 15.652 17.726 1.00 0.00 N ATOM 169 CA GLN A 111 -9.359 16.723 17.727 1.00 0.00 C ATOM 170 C GLN A 111 -10.564 16.358 18.585 1.00 0.00 C ATOM 171 O GLN A 111 -11.094 17.195 19.315 1.00 0.00 O ATOM 172 CB GLN A 111 -9.816 17.032 16.299 1.00 0.00 C ATOM 173 CG GLN A 111 -8.751 17.682 15.432 1.00 0.00 C ATOM 174 CD GLN A 111 -9.203 17.856 13.994 1.00 0.00 C ATOM 175 OE1 GLN A 111 -10.293 17.420 13.614 1.00 0.00 O ATOM 176 NE2 GLN A 111 -8.364 18.491 13.184 1.00 0.00 N ATOM 0 H GLN A 111 -8.162 15.272 16.803 1.00 0.00 H new ATOM 0 HA GLN A 111 -8.887 17.609 18.152 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -10.140 16.106 15.824 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -10.685 17.689 16.341 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -8.491 18.655 15.849 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -7.847 17.074 15.455 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -7.473 18.835 13.541 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -8.611 18.635 12.205 1.00 0.00 H new ATOM 185 N LYS A 112 -10.993 15.105 18.491 1.00 0.00 N ATOM 186 CA LYS A 112 -12.145 14.630 19.249 1.00 0.00 C ATOM 187 C LYS A 112 -11.824 14.531 20.735 1.00 0.00 C ATOM 188 O LYS A 112 -12.724 14.538 21.575 1.00 0.00 O ATOM 189 CB LYS A 112 -12.612 13.273 18.720 1.00 0.00 C ATOM 190 CG LYS A 112 -13.245 13.321 17.335 1.00 0.00 C ATOM 191 CD LYS A 112 -13.643 11.932 16.860 1.00 0.00 C ATOM 192 CE LYS A 112 -14.306 11.983 15.491 1.00 0.00 C ATOM 193 NZ LYS A 112 -14.707 10.631 15.016 1.00 0.00 N ATOM 0 H LYS A 112 -10.560 14.398 17.896 1.00 0.00 H new ATOM 0 HA LYS A 112 -12.949 15.355 19.122 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -11.759 12.594 18.693 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -13.333 12.852 19.421 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -14.124 13.966 17.357 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -12.543 13.762 16.627 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -12.760 11.294 16.815 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -14.326 11.481 17.580 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -15.185 12.627 15.537 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -13.620 12.431 14.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -15.154 10.710 14.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -13.866 10.024 14.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -15.382 10.213 15.688 1.00 0.00 H new ATOM 207 N MET A 113 -10.537 14.437 21.051 1.00 0.00 N ATOM 208 CA MET A 113 -10.098 14.300 22.435 1.00 0.00 C ATOM 209 C MET A 113 -9.590 15.625 22.986 1.00 0.00 C ATOM 210 O MET A 113 -9.120 15.699 24.121 1.00 0.00 O ATOM 211 CB MET A 113 -9.011 13.233 22.540 1.00 0.00 C ATOM 212 CG MET A 113 -9.473 11.826 22.187 1.00 0.00 C ATOM 213 SD MET A 113 -10.697 11.186 23.346 1.00 0.00 S ATOM 214 CE MET A 113 -9.679 10.898 24.790 1.00 0.00 C ATOM 0 H MET A 113 -9.780 14.453 20.368 1.00 0.00 H new ATOM 0 HA MET A 113 -10.957 13.994 23.033 1.00 0.00 H new ATOM 0 HB2 MET A 113 -8.186 13.507 21.883 1.00 0.00 H new ATOM 0 HB3 MET A 113 -8.620 13.229 23.557 1.00 0.00 H new ATOM 0 HG2 MET A 113 -9.896 11.828 21.182 1.00 0.00 H new ATOM 0 HG3 MET A 113 -8.611 11.159 22.169 1.00 0.00 H new ATOM 0 HE1 MET A 113 -10.218 10.264 25.494 1.00 0.00 H new ATOM 0 HE2 MET A 113 -8.755 10.404 24.491 1.00 0.00 H new ATOM 0 HE3 MET A 113 -9.444 11.850 25.265 1.00 0.00 H new ATOM 224 N ASN A 114 -9.684 16.674 22.174 1.00 0.00 N ATOM 225 CA ASN A 114 -9.181 17.987 22.555 1.00 0.00 C ATOM 226 C ASN A 114 -7.680 17.948 22.817 1.00 0.00 C ATOM 227 O ASN A 114 -7.152 18.757 23.579 1.00 0.00 O ATOM 228 CB ASN A 114 -9.911 18.530 23.769 1.00 0.00 C ATOM 229 CG ASN A 114 -11.341 18.908 23.496 1.00 0.00 C ATOM 230 OD1 ASN A 114 -11.712 19.237 22.364 1.00 0.00 O ATOM 231 ND2 ASN A 114 -12.126 18.943 24.543 1.00 0.00 N ATOM 0 H ASN A 114 -10.105 16.638 21.246 1.00 0.00 H new ATOM 0 HA ASN A 114 -9.368 18.658 21.717 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -9.887 17.781 24.561 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -9.378 19.405 24.141 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -13.093 19.253 24.445 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -11.771 18.661 25.456 1.00 0.00 H new ATOM 238 N TYR A 115 -6.999 17.001 22.181 1.00 0.00 N ATOM 239 CA TYR A 115 -5.550 16.892 22.297 1.00 0.00 C ATOM 240 C TYR A 115 -4.851 17.575 21.129 1.00 0.00 C ATOM 241 O TYR A 115 -5.461 17.828 20.090 1.00 0.00 O ATOM 242 CB TYR A 115 -5.128 15.422 22.374 1.00 0.00 C ATOM 243 CG TYR A 115 -5.615 14.710 23.618 1.00 0.00 C ATOM 244 CD1 TYR A 115 -5.939 15.420 24.765 1.00 0.00 C ATOM 245 CD2 TYR A 115 -5.749 13.330 23.639 1.00 0.00 C ATOM 246 CE1 TYR A 115 -6.382 14.773 25.902 1.00 0.00 C ATOM 247 CE2 TYR A 115 -6.193 12.674 24.771 1.00 0.00 C ATOM 248 CZ TYR A 115 -6.508 13.400 25.901 1.00 0.00 C ATOM 249 OH TYR A 115 -6.952 12.751 27.030 1.00 0.00 O ATOM 0 H TYR A 115 -7.428 16.298 21.580 1.00 0.00 H new ATOM 0 HA TYR A 115 -5.251 17.396 23.216 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -5.506 14.899 21.496 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -4.040 15.364 22.336 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -5.843 16.496 24.769 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -5.502 12.759 22.756 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -6.629 15.340 26.788 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -6.293 11.599 24.771 1.00 0.00 H new ATOM 0 HH TYR A 115 -6.985 11.786 26.861 1.00 0.00 H new ATOM 259 N ALA A 116 -3.567 17.870 21.304 1.00 0.00 N ATOM 260 CA ALA A 116 -2.762 18.451 20.237 1.00 0.00 C ATOM 261 C ALA A 116 -2.596 17.478 19.078 1.00 0.00 C ATOM 262 O ALA A 116 -2.578 16.262 19.274 1.00 0.00 O ATOM 263 CB ALA A 116 -1.403 18.879 20.771 1.00 0.00 C ATOM 0 H ALA A 116 -3.061 17.716 22.176 1.00 0.00 H new ATOM 0 HA ALA A 116 -3.285 19.331 19.863 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -0.814 19.311 19.962 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -1.538 19.621 21.558 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.882 18.012 21.176 1.00 0.00 H new ATOM 269 N ILE A 117 -2.478 18.018 17.871 1.00 0.00 N ATOM 270 CA ILE A 117 -2.360 17.195 16.671 1.00 0.00 C ATOM 271 C ILE A 117 -1.036 16.443 16.646 1.00 0.00 C ATOM 272 O ILE A 117 0.034 17.049 16.697 1.00 0.00 O ATOM 273 CB ILE A 117 -2.482 18.042 15.392 1.00 0.00 C ATOM 274 CG1 ILE A 117 -3.848 18.732 15.336 1.00 0.00 C ATOM 275 CG2 ILE A 117 -2.269 17.177 14.159 1.00 0.00 C ATOM 276 CD1 ILE A 117 -5.017 17.773 15.348 1.00 0.00 C ATOM 0 H ILE A 117 -2.461 19.023 17.696 1.00 0.00 H new ATOM 0 HA ILE A 117 -3.180 16.478 16.701 1.00 0.00 H new ATOM 0 HB ILE A 117 -1.709 18.810 15.410 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -3.937 19.410 16.185 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -3.900 19.342 14.434 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -2.359 17.792 13.263 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -1.275 16.731 14.195 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -3.020 16.388 14.134 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -5.950 18.336 15.306 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -4.954 17.111 14.484 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -4.992 17.180 16.262 1.00 0.00 H new ATOM 288 N PRO A 118 -1.114 15.119 16.570 1.00 0.00 N ATOM 289 CA PRO A 118 0.075 14.277 16.615 1.00 0.00 C ATOM 290 C PRO A 118 1.077 14.682 15.541 1.00 0.00 C ATOM 291 O PRO A 118 0.701 14.978 14.407 1.00 0.00 O ATOM 292 CB PRO A 118 -0.463 12.853 16.397 1.00 0.00 C ATOM 293 CG PRO A 118 -1.887 12.900 16.880 1.00 0.00 C ATOM 294 CD PRO A 118 -2.327 14.351 16.262 1.00 0.00 C ATOM 0 HA PRO A 118 0.619 14.365 17.555 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -0.411 12.567 15.346 1.00 0.00 H new ATOM 0 HB3 PRO A 118 0.120 12.120 16.955 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -2.489 12.078 16.492 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -1.963 12.866 17.967 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -2.535 14.306 15.193 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -3.216 14.760 16.743 1.00 0.00 H new ATOM 302 N LEU A 119 2.355 14.690 15.906 1.00 0.00 N ATOM 303 CA LEU A 119 3.416 15.049 14.970 1.00 0.00 C ATOM 304 C LEU A 119 4.367 13.881 14.742 1.00 0.00 C ATOM 305 O LEU A 119 4.849 13.265 15.693 1.00 0.00 O ATOM 306 CB LEU A 119 4.185 16.271 15.486 1.00 0.00 C ATOM 307 CG LEU A 119 3.340 17.534 15.698 1.00 0.00 C ATOM 308 CD1 LEU A 119 4.194 18.637 16.308 1.00 0.00 C ATOM 309 CD2 LEU A 119 2.751 17.980 14.367 1.00 0.00 C ATOM 0 H LEU A 119 2.682 14.452 16.843 1.00 0.00 H new ATOM 0 HA LEU A 119 2.955 15.298 14.014 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.660 16.008 16.431 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.984 16.502 14.781 1.00 0.00 H new ATOM 0 HG LEU A 119 2.524 17.315 16.387 1.00 0.00 H new ATOM 0 HD11 LEU A 119 3.585 19.529 16.455 1.00 0.00 H new ATOM 0 HD12 LEU A 119 4.587 18.304 17.269 1.00 0.00 H new ATOM 0 HD13 LEU A 119 5.022 18.869 15.638 1.00 0.00 H new ATOM 0 HD21 LEU A 119 2.151 18.877 14.517 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.558 18.196 13.666 1.00 0.00 H new ATOM 0 HD23 LEU A 119 2.123 17.186 13.963 1.00 0.00 H new ATOM 321 N TYR A 120 4.632 13.580 13.475 1.00 0.00 N ATOM 322 CA TYR A 120 5.500 12.464 13.119 1.00 0.00 C ATOM 323 C TYR A 120 6.909 12.942 12.794 1.00 0.00 C ATOM 324 O TYR A 120 7.092 13.883 12.023 1.00 0.00 O ATOM 325 CB TYR A 120 4.920 11.694 11.930 1.00 0.00 C ATOM 326 CG TYR A 120 3.636 10.957 12.244 1.00 0.00 C ATOM 327 CD1 TYR A 120 2.421 11.625 12.275 1.00 0.00 C ATOM 328 CD2 TYR A 120 3.644 9.595 12.506 1.00 0.00 C ATOM 329 CE1 TYR A 120 1.246 10.957 12.561 1.00 0.00 C ATOM 330 CE2 TYR A 120 2.476 8.917 12.793 1.00 0.00 C ATOM 331 CZ TYR A 120 1.277 9.602 12.820 1.00 0.00 C ATOM 332 OH TYR A 120 0.110 8.931 13.104 1.00 0.00 O ATOM 0 H TYR A 120 4.258 14.094 12.677 1.00 0.00 H new ATOM 0 HA TYR A 120 5.557 11.799 13.980 1.00 0.00 H new ATOM 0 HB2 TYR A 120 4.736 12.391 11.113 1.00 0.00 H new ATOM 0 HB3 TYR A 120 5.662 10.977 11.577 1.00 0.00 H new ATOM 0 HD1 TYR A 120 2.393 12.685 12.072 1.00 0.00 H new ATOM 0 HD2 TYR A 120 4.580 9.056 12.485 1.00 0.00 H new ATOM 0 HE1 TYR A 120 0.308 11.492 12.582 1.00 0.00 H new ATOM 0 HE2 TYR A 120 2.500 7.856 12.995 1.00 0.00 H new ATOM 0 HH TYR A 120 0.184 8.003 12.799 1.00 0.00 H new ATOM 342 N GLN A 121 7.902 12.289 13.388 1.00 0.00 N ATOM 343 CA GLN A 121 9.298 12.625 13.139 1.00 0.00 C ATOM 344 C GLN A 121 10.107 11.384 12.783 1.00 0.00 C ATOM 345 O GLN A 121 10.203 10.446 13.573 1.00 0.00 O ATOM 346 CB GLN A 121 9.912 13.310 14.362 1.00 0.00 C ATOM 347 CG GLN A 121 11.380 13.667 14.204 1.00 0.00 C ATOM 348 CD GLN A 121 11.598 14.797 13.216 1.00 0.00 C ATOM 349 OE1 GLN A 121 10.966 15.854 13.310 1.00 0.00 O ATOM 350 NE2 GLN A 121 12.491 14.580 12.258 1.00 0.00 N ATOM 0 H GLN A 121 7.765 11.522 14.047 1.00 0.00 H new ATOM 0 HA GLN A 121 9.328 13.312 12.293 1.00 0.00 H new ATOM 0 HB2 GLN A 121 9.350 14.219 14.576 1.00 0.00 H new ATOM 0 HB3 GLN A 121 9.800 12.655 15.226 1.00 0.00 H new ATOM 0 HG2 GLN A 121 11.788 13.952 15.174 1.00 0.00 H new ATOM 0 HG3 GLN A 121 11.931 12.787 13.873 1.00 0.00 H new ATOM 0 HE21 GLN A 121 12.990 13.692 12.218 1.00 0.00 H new ATOM 0 HE22 GLN A 121 12.678 15.302 11.562 1.00 0.00 H new ATOM 359 N CYS A 122 10.691 11.387 11.589 1.00 0.00 N ATOM 360 CA CYS A 122 11.479 10.254 11.119 1.00 0.00 C ATOM 361 C CYS A 122 12.919 10.664 10.837 1.00 0.00 C ATOM 362 O CYS A 122 13.186 11.799 10.445 1.00 0.00 O ATOM 363 CB CYS A 122 10.767 9.861 9.825 1.00 0.00 C ATOM 364 SG CYS A 122 9.045 9.354 10.040 1.00 0.00 S ATOM 0 H CYS A 122 10.633 12.162 10.929 1.00 0.00 H new ATOM 0 HA CYS A 122 11.542 9.445 11.847 1.00 0.00 H new ATOM 0 HB2 CYS A 122 10.801 10.705 9.136 1.00 0.00 H new ATOM 0 HB3 CYS A 122 11.317 9.045 9.356 1.00 0.00 H new ATOM 0 HG CYS A 122 8.490 9.198 8.875 1.00 0.00 H new ATOM 370 N GLN A 123 13.844 9.732 11.038 1.00 0.00 N ATOM 371 CA GLN A 123 15.260 9.995 10.811 1.00 0.00 C ATOM 372 C GLN A 123 16.026 8.705 10.554 1.00 0.00 C ATOM 373 O GLN A 123 15.593 7.624 10.954 1.00 0.00 O ATOM 374 CB GLN A 123 15.868 10.727 12.011 1.00 0.00 C ATOM 375 CG GLN A 123 15.859 9.923 13.300 1.00 0.00 C ATOM 376 CD GLN A 123 16.422 10.704 14.473 1.00 0.00 C ATOM 377 OE1 GLN A 123 16.813 11.866 14.333 1.00 0.00 O ATOM 378 NE2 GLN A 123 16.472 10.067 15.638 1.00 0.00 N ATOM 0 H GLN A 123 13.638 8.786 11.358 1.00 0.00 H new ATOM 0 HA GLN A 123 15.341 10.626 9.926 1.00 0.00 H new ATOM 0 HB2 GLN A 123 16.896 11.000 11.773 1.00 0.00 H new ATOM 0 HB3 GLN A 123 15.321 11.656 12.171 1.00 0.00 H new ATOM 0 HG2 GLN A 123 14.838 9.617 13.527 1.00 0.00 H new ATOM 0 HG3 GLN A 123 16.441 9.012 13.161 1.00 0.00 H new ATOM 0 HE21 GLN A 123 16.138 9.106 15.709 1.00 0.00 H new ATOM 0 HE22 GLN A 123 16.845 10.539 16.462 1.00 0.00 H new ATOM 387 N LYS A 124 17.168 8.824 9.883 1.00 0.00 N ATOM 388 CA LYS A 124 18.012 7.670 9.597 1.00 0.00 C ATOM 389 C LYS A 124 19.350 7.773 10.317 1.00 0.00 C ATOM 390 O LYS A 124 19.846 8.872 10.570 1.00 0.00 O ATOM 391 CB LYS A 124 18.234 7.532 8.090 1.00 0.00 C ATOM 392 CG LYS A 124 18.920 8.727 7.443 1.00 0.00 C ATOM 393 CD LYS A 124 19.106 8.516 5.948 1.00 0.00 C ATOM 394 CE LYS A 124 19.758 9.725 5.293 1.00 0.00 C ATOM 395 NZ LYS A 124 19.921 9.544 3.825 1.00 0.00 N ATOM 0 H LYS A 124 17.530 9.709 9.527 1.00 0.00 H new ATOM 0 HA LYS A 124 17.498 6.781 9.963 1.00 0.00 H new ATOM 0 HB2 LYS A 124 18.832 6.640 7.903 1.00 0.00 H new ATOM 0 HB3 LYS A 124 17.270 7.376 7.606 1.00 0.00 H new ATOM 0 HG2 LYS A 124 18.328 9.626 7.614 1.00 0.00 H new ATOM 0 HG3 LYS A 124 19.890 8.890 7.913 1.00 0.00 H new ATOM 0 HD2 LYS A 124 19.721 7.632 5.778 1.00 0.00 H new ATOM 0 HD3 LYS A 124 18.139 8.326 5.483 1.00 0.00 H new ATOM 0 HE2 LYS A 124 19.153 10.611 5.484 1.00 0.00 H new ATOM 0 HE3 LYS A 124 20.733 9.901 5.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 20.369 10.390 3.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 20.520 8.714 3.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 18.988 9.402 3.387 1.00 0.00 H new ATOM 409 N VAL A 125 19.931 6.624 10.646 1.00 0.00 N ATOM 410 CA VAL A 125 21.194 6.584 11.372 1.00 0.00 C ATOM 411 C VAL A 125 22.162 5.594 10.738 1.00 0.00 C ATOM 412 O VAL A 125 21.746 4.626 10.099 1.00 0.00 O ATOM 413 CB VAL A 125 20.984 6.206 12.850 1.00 0.00 C ATOM 414 CG1 VAL A 125 20.139 7.258 13.553 1.00 0.00 C ATOM 415 CG2 VAL A 125 20.331 4.837 12.964 1.00 0.00 C ATOM 0 H VAL A 125 19.546 5.707 10.421 1.00 0.00 H new ATOM 0 HA VAL A 125 21.618 7.587 11.320 1.00 0.00 H new ATOM 0 HB VAL A 125 21.959 6.164 13.336 1.00 0.00 H new ATOM 0 HG11 VAL A 125 20.000 6.975 14.597 1.00 0.00 H new ATOM 0 HG12 VAL A 125 20.643 8.223 13.502 1.00 0.00 H new ATOM 0 HG13 VAL A 125 19.167 7.330 13.064 1.00 0.00 H new ATOM 0 HG21 VAL A 125 20.191 4.587 14.016 1.00 0.00 H new ATOM 0 HG22 VAL A 125 19.363 4.853 12.463 1.00 0.00 H new ATOM 0 HG23 VAL A 125 20.970 4.089 12.496 1.00 0.00 H new ATOM 425 N GLU A 126 23.454 5.842 10.917 1.00 0.00 N ATOM 426 CA GLU A 126 24.484 4.945 10.404 1.00 0.00 C ATOM 427 C GLU A 126 25.144 4.161 11.531 1.00 0.00 C ATOM 428 O GLU A 126 25.621 4.740 12.507 1.00 0.00 O ATOM 429 CB GLU A 126 25.539 5.733 9.624 1.00 0.00 C ATOM 430 CG GLU A 126 26.657 4.880 9.041 1.00 0.00 C ATOM 431 CD GLU A 126 27.659 5.722 8.301 1.00 0.00 C ATOM 432 OE1 GLU A 126 27.480 6.915 8.250 1.00 0.00 O ATOM 433 OE2 GLU A 126 28.660 5.191 7.885 1.00 0.00 O ATOM 0 H GLU A 126 23.814 6.657 11.414 1.00 0.00 H new ATOM 0 HA GLU A 126 24.003 4.235 9.732 1.00 0.00 H new ATOM 0 HB2 GLU A 126 25.048 6.270 8.813 1.00 0.00 H new ATOM 0 HB3 GLU A 126 25.976 6.482 10.284 1.00 0.00 H new ATOM 0 HG2 GLU A 126 27.157 4.336 9.842 1.00 0.00 H new ATOM 0 HG3 GLU A 126 26.235 4.136 8.366 1.00 0.00 H new ATOM 440 N THR A 127 25.168 2.840 11.390 1.00 0.00 N ATOM 441 CA THR A 127 25.743 1.971 12.411 1.00 0.00 C ATOM 442 C THR A 127 27.256 1.884 12.272 1.00 0.00 C ATOM 443 O THR A 127 27.836 2.433 11.334 1.00 0.00 O ATOM 444 CB THR A 127 25.148 0.552 12.345 1.00 0.00 C ATOM 445 OG1 THR A 127 25.524 -0.068 11.108 1.00 0.00 O ATOM 446 CG2 THR A 127 23.631 0.603 12.442 1.00 0.00 C ATOM 0 H THR A 127 24.796 2.347 10.578 1.00 0.00 H new ATOM 0 HA THR A 127 25.496 2.414 13.376 1.00 0.00 H new ATOM 0 HB THR A 127 25.535 -0.027 13.183 1.00 0.00 H new ATOM 0 HG1 THR A 127 25.435 -1.041 11.189 1.00 0.00 H new ATOM 0 HG21 THR A 127 23.229 -0.409 12.394 1.00 0.00 H new ATOM 0 HG22 THR A 127 23.342 1.063 13.387 1.00 0.00 H new ATOM 0 HG23 THR A 127 23.233 1.191 11.615 1.00 0.00 H new ATOM 454 N LEU A 128 27.893 1.191 13.210 1.00 0.00 N ATOM 455 CA LEU A 128 29.339 1.005 13.176 1.00 0.00 C ATOM 456 C LEU A 128 29.758 0.176 11.968 1.00 0.00 C ATOM 457 O LEU A 128 30.912 0.227 11.540 1.00 0.00 O ATOM 458 CB LEU A 128 29.817 0.339 14.473 1.00 0.00 C ATOM 459 CG LEU A 128 29.673 1.193 15.738 1.00 0.00 C ATOM 460 CD1 LEU A 128 30.054 0.378 16.966 1.00 0.00 C ATOM 461 CD2 LEU A 128 30.549 2.431 15.618 1.00 0.00 C ATOM 0 H LEU A 128 27.430 0.748 14.004 1.00 0.00 H new ATOM 0 HA LEU A 128 29.806 1.986 13.088 1.00 0.00 H new ATOM 0 HB2 LEU A 128 29.259 -0.587 14.614 1.00 0.00 H new ATOM 0 HB3 LEU A 128 30.866 0.065 14.357 1.00 0.00 H new ATOM 0 HG LEU A 128 28.635 1.507 15.848 1.00 0.00 H new ATOM 0 HD11 LEU A 128 29.948 0.994 17.859 1.00 0.00 H new ATOM 0 HD12 LEU A 128 29.399 -0.490 17.044 1.00 0.00 H new ATOM 0 HD13 LEU A 128 31.088 0.045 16.875 1.00 0.00 H new ATOM 0 HD21 LEU A 128 30.446 3.038 16.518 1.00 0.00 H new ATOM 0 HD22 LEU A 128 31.590 2.130 15.500 1.00 0.00 H new ATOM 0 HD23 LEU A 128 30.239 3.013 14.750 1.00 0.00 H new ATOM 473 N GLY A 129 28.817 -0.585 11.424 1.00 0.00 N ATOM 474 CA GLY A 129 29.076 -1.391 10.236 1.00 0.00 C ATOM 475 C GLY A 129 28.679 -0.647 8.968 1.00 0.00 C ATOM 476 O GLY A 129 28.594 -1.238 7.890 1.00 0.00 O ATOM 0 H GLY A 129 27.867 -0.662 11.786 1.00 0.00 H new ATOM 0 HA2 GLY A 129 30.134 -1.650 10.193 1.00 0.00 H new ATOM 0 HA3 GLY A 129 28.521 -2.327 10.300 1.00 0.00 H new ATOM 480 N ARG A 130 28.437 0.652 9.101 1.00 0.00 N ATOM 481 CA ARG A 130 28.073 1.485 7.962 1.00 0.00 C ATOM 482 C ARG A 130 26.757 1.031 7.344 1.00 0.00 C ATOM 483 O ARG A 130 26.598 1.033 6.124 1.00 0.00 O ATOM 484 CB ARG A 130 29.182 1.552 6.921 1.00 0.00 C ATOM 485 CG ARG A 130 30.477 2.182 7.407 1.00 0.00 C ATOM 486 CD ARG A 130 31.549 2.246 6.380 1.00 0.00 C ATOM 487 NE ARG A 130 32.837 2.698 6.882 1.00 0.00 N ATOM 488 CZ ARG A 130 33.955 2.801 6.136 1.00 0.00 C ATOM 489 NH1 ARG A 130 33.958 2.451 4.869 1.00 0.00 N ATOM 490 NH2 ARG A 130 35.056 3.240 6.720 1.00 0.00 N ATOM 0 H ARG A 130 28.487 1.152 9.989 1.00 0.00 H new ATOM 0 HA ARG A 130 27.933 2.498 8.340 1.00 0.00 H new ATOM 0 HB2 ARG A 130 29.395 0.541 6.572 1.00 0.00 H new ATOM 0 HB3 ARG A 130 28.820 2.116 6.061 1.00 0.00 H new ATOM 0 HG2 ARG A 130 30.266 3.192 7.759 1.00 0.00 H new ATOM 0 HG3 ARG A 130 30.844 1.616 8.263 1.00 0.00 H new ATOM 0 HD2 ARG A 130 31.672 1.257 5.939 1.00 0.00 H new ATOM 0 HD3 ARG A 130 31.230 2.914 5.580 1.00 0.00 H new ATOM 0 HE ARG A 130 32.899 2.955 7.867 1.00 0.00 H new ATOM 0 HH11 ARG A 130 33.106 2.095 4.436 1.00 0.00 H new ATOM 0 HH12 ARG A 130 34.813 2.535 4.319 1.00 0.00 H new ATOM 0 HH21 ARG A 130 35.044 3.490 7.709 1.00 0.00 H new ATOM 0 HH22 ARG A 130 35.918 3.329 6.182 1.00 0.00 H new ATOM 504 N VAL A 131 25.814 0.639 8.197 1.00 0.00 N ATOM 505 CA VAL A 131 24.496 0.217 7.739 1.00 0.00 C ATOM 506 C VAL A 131 23.436 1.260 8.071 1.00 0.00 C ATOM 507 O VAL A 131 23.187 1.554 9.240 1.00 0.00 O ATOM 508 CB VAL A 131 24.089 -1.132 8.361 1.00 0.00 C ATOM 509 CG1 VAL A 131 22.697 -1.534 7.895 1.00 0.00 C ATOM 510 CG2 VAL A 131 25.100 -2.211 8.006 1.00 0.00 C ATOM 0 H VAL A 131 25.939 0.605 9.209 1.00 0.00 H new ATOM 0 HA VAL A 131 24.560 0.103 6.657 1.00 0.00 H new ATOM 0 HB VAL A 131 24.072 -1.020 9.445 1.00 0.00 H new ATOM 0 HG11 VAL A 131 22.425 -2.489 8.344 1.00 0.00 H new ATOM 0 HG12 VAL A 131 21.978 -0.773 8.198 1.00 0.00 H new ATOM 0 HG13 VAL A 131 22.690 -1.628 6.809 1.00 0.00 H new ATOM 0 HG21 VAL A 131 24.795 -3.157 8.454 1.00 0.00 H new ATOM 0 HG22 VAL A 131 25.148 -2.322 6.923 1.00 0.00 H new ATOM 0 HG23 VAL A 131 26.082 -1.929 8.386 1.00 0.00 H new ATOM 520 N THR A 132 22.816 1.816 7.037 1.00 0.00 N ATOM 521 CA THR A 132 21.753 2.797 7.219 1.00 0.00 C ATOM 522 C THR A 132 20.485 2.145 7.754 1.00 0.00 C ATOM 523 O THR A 132 19.957 1.209 7.155 1.00 0.00 O ATOM 524 CB THR A 132 21.425 3.525 5.902 1.00 0.00 C ATOM 525 OG1 THR A 132 22.602 4.179 5.408 1.00 0.00 O ATOM 526 CG2 THR A 132 20.331 4.559 6.122 1.00 0.00 C ATOM 0 H THR A 132 23.031 1.604 6.063 1.00 0.00 H new ATOM 0 HA THR A 132 22.119 3.523 7.945 1.00 0.00 H new ATOM 0 HB THR A 132 21.077 2.790 5.176 1.00 0.00 H new ATOM 0 HG1 THR A 132 22.392 4.640 4.569 1.00 0.00 H new ATOM 0 HG21 THR A 132 20.112 5.063 5.181 1.00 0.00 H new ATOM 0 HG22 THR A 132 19.431 4.064 6.486 1.00 0.00 H new ATOM 0 HG23 THR A 132 20.665 5.291 6.857 1.00 0.00 H new ATOM 534 N GLN A 133 20.002 2.644 8.888 1.00 0.00 N ATOM 535 CA GLN A 133 18.734 2.191 9.444 1.00 0.00 C ATOM 536 C GLN A 133 17.776 3.359 9.651 1.00 0.00 C ATOM 537 O GLN A 133 18.201 4.487 9.889 1.00 0.00 O ATOM 538 CB GLN A 133 18.960 1.467 10.774 1.00 0.00 C ATOM 539 CG GLN A 133 19.768 0.185 10.655 1.00 0.00 C ATOM 540 CD GLN A 133 19.929 -0.522 11.987 1.00 0.00 C ATOM 541 OE1 GLN A 133 19.545 0.003 13.036 1.00 0.00 O ATOM 542 NE2 GLN A 133 20.503 -1.720 11.953 1.00 0.00 N ATOM 0 H GLN A 133 20.471 3.363 9.439 1.00 0.00 H new ATOM 0 HA GLN A 133 18.287 1.499 8.730 1.00 0.00 H new ATOM 0 HB2 GLN A 133 19.470 2.143 11.461 1.00 0.00 H new ATOM 0 HB3 GLN A 133 17.992 1.233 11.217 1.00 0.00 H new ATOM 0 HG2 GLN A 133 19.279 -0.485 9.948 1.00 0.00 H new ATOM 0 HG3 GLN A 133 20.752 0.416 10.248 1.00 0.00 H new ATOM 0 HE21 GLN A 133 20.805 -2.116 11.063 1.00 0.00 H new ATOM 0 HE22 GLN A 133 20.641 -2.244 12.817 1.00 0.00 H new ATOM 551 N PHE A 134 16.480 3.075 9.558 1.00 0.00 N ATOM 552 CA PHE A 134 15.462 4.115 9.648 1.00 0.00 C ATOM 553 C PHE A 134 14.611 3.943 10.900 1.00 0.00 C ATOM 554 O PHE A 134 14.220 2.830 11.249 1.00 0.00 O ATOM 555 CB PHE A 134 14.574 4.104 8.403 1.00 0.00 C ATOM 556 CG PHE A 134 15.287 4.522 7.147 1.00 0.00 C ATOM 557 CD1 PHE A 134 16.065 3.618 6.440 1.00 0.00 C ATOM 558 CD2 PHE A 134 15.181 5.821 6.672 1.00 0.00 C ATOM 559 CE1 PHE A 134 16.721 4.002 5.285 1.00 0.00 C ATOM 560 CE2 PHE A 134 15.833 6.207 5.518 1.00 0.00 C ATOM 561 CZ PHE A 134 16.604 5.296 4.824 1.00 0.00 C ATOM 0 H PHE A 134 16.111 2.134 9.420 1.00 0.00 H new ATOM 0 HA PHE A 134 15.971 5.077 9.710 1.00 0.00 H new ATOM 0 HB2 PHE A 134 14.171 3.101 8.264 1.00 0.00 H new ATOM 0 HB3 PHE A 134 13.726 4.769 8.567 1.00 0.00 H new ATOM 0 HD1 PHE A 134 16.160 2.603 6.795 1.00 0.00 H new ATOM 0 HD2 PHE A 134 14.581 6.539 7.211 1.00 0.00 H new ATOM 0 HE1 PHE A 134 17.325 3.288 4.744 1.00 0.00 H new ATOM 0 HE2 PHE A 134 15.740 7.221 5.158 1.00 0.00 H new ATOM 0 HZ PHE A 134 17.115 5.597 3.921 1.00 0.00 H new ATOM 571 N THR A 135 14.325 5.055 11.571 1.00 0.00 N ATOM 572 CA THR A 135 13.512 5.031 12.781 1.00 0.00 C ATOM 573 C THR A 135 12.589 6.243 12.848 1.00 0.00 C ATOM 574 O THR A 135 12.869 7.282 12.252 1.00 0.00 O ATOM 575 CB THR A 135 14.385 4.993 14.048 1.00 0.00 C ATOM 576 OG1 THR A 135 13.551 4.820 15.201 1.00 0.00 O ATOM 577 CG2 THR A 135 15.178 6.283 14.189 1.00 0.00 C ATOM 0 H THR A 135 14.645 5.984 11.297 1.00 0.00 H new ATOM 0 HA THR A 135 12.912 4.122 12.738 1.00 0.00 H new ATOM 0 HB THR A 135 15.081 4.158 13.966 1.00 0.00 H new ATOM 0 HG1 THR A 135 14.108 4.794 16.007 1.00 0.00 H new ATOM 0 HG21 THR A 135 15.789 6.238 15.090 1.00 0.00 H new ATOM 0 HG22 THR A 135 15.823 6.411 13.319 1.00 0.00 H new ATOM 0 HG23 THR A 135 14.491 7.127 14.258 1.00 0.00 H new ATOM 585 N CYS A 136 11.489 6.100 13.579 1.00 0.00 N ATOM 586 CA CYS A 136 10.463 7.136 13.627 1.00 0.00 C ATOM 587 C CYS A 136 9.839 7.229 15.013 1.00 0.00 C ATOM 588 O CYS A 136 9.916 6.288 15.804 1.00 0.00 O ATOM 589 CB CYS A 136 9.436 6.642 12.607 1.00 0.00 C ATOM 590 SG CYS A 136 8.631 5.083 13.048 1.00 0.00 S ATOM 0 H CYS A 136 11.285 5.277 14.146 1.00 0.00 H new ATOM 0 HA CYS A 136 10.850 8.132 13.412 1.00 0.00 H new ATOM 0 HB2 CYS A 136 8.671 7.408 12.480 1.00 0.00 H new ATOM 0 HB3 CYS A 136 9.929 6.521 11.643 1.00 0.00 H new ATOM 0 HG CYS A 136 8.349 4.419 11.966 1.00 0.00 H new ATOM 596 N THR A 137 9.222 8.370 15.303 1.00 0.00 N ATOM 597 CA THR A 137 8.509 8.556 16.561 1.00 0.00 C ATOM 598 C THR A 137 7.343 9.521 16.394 1.00 0.00 C ATOM 599 O THR A 137 7.388 10.428 15.564 1.00 0.00 O ATOM 600 CB THR A 137 9.442 9.080 17.668 1.00 0.00 C ATOM 601 OG1 THR A 137 8.727 9.149 18.908 1.00 0.00 O ATOM 602 CG2 THR A 137 9.966 10.463 17.314 1.00 0.00 C ATOM 0 H THR A 137 9.202 9.180 14.683 1.00 0.00 H new ATOM 0 HA THR A 137 8.128 7.578 16.854 1.00 0.00 H new ATOM 0 HB THR A 137 10.285 8.396 17.764 1.00 0.00 H new ATOM 0 HG1 THR A 137 8.088 8.408 18.959 1.00 0.00 H new ATOM 0 HG21 THR A 137 10.624 10.817 18.108 1.00 0.00 H new ATOM 0 HG22 THR A 137 10.522 10.413 16.378 1.00 0.00 H new ATOM 0 HG23 THR A 137 9.129 11.152 17.202 1.00 0.00 H new ATOM 610 N VAL A 138 6.298 9.322 17.192 1.00 0.00 N ATOM 611 CA VAL A 138 5.116 10.173 17.131 1.00 0.00 C ATOM 612 C VAL A 138 4.516 10.381 18.516 1.00 0.00 C ATOM 613 O VAL A 138 4.385 9.438 19.295 1.00 0.00 O ATOM 614 CB VAL A 138 4.040 9.581 16.201 1.00 0.00 C ATOM 615 CG1 VAL A 138 3.588 8.219 16.707 1.00 0.00 C ATOM 616 CG2 VAL A 138 2.854 10.527 16.088 1.00 0.00 C ATOM 0 H VAL A 138 6.247 8.578 17.888 1.00 0.00 H new ATOM 0 HA VAL A 138 5.441 11.133 16.730 1.00 0.00 H new ATOM 0 HB VAL A 138 4.475 9.453 15.210 1.00 0.00 H new ATOM 0 HG11 VAL A 138 2.828 7.816 16.038 1.00 0.00 H new ATOM 0 HG12 VAL A 138 4.441 7.541 16.738 1.00 0.00 H new ATOM 0 HG13 VAL A 138 3.171 8.323 17.709 1.00 0.00 H new ATOM 0 HG21 VAL A 138 2.104 10.093 15.427 1.00 0.00 H new ATOM 0 HG22 VAL A 138 2.420 10.686 17.075 1.00 0.00 H new ATOM 0 HG23 VAL A 138 3.187 11.481 15.681 1.00 0.00 H new ATOM 626 N GLU A 139 4.153 11.624 18.817 1.00 0.00 N ATOM 627 CA GLU A 139 3.540 11.953 20.098 1.00 0.00 C ATOM 628 C GLU A 139 2.027 12.076 19.969 1.00 0.00 C ATOM 629 O GLU A 139 1.520 13.010 19.346 1.00 0.00 O ATOM 630 CB GLU A 139 4.128 13.253 20.654 1.00 0.00 C ATOM 631 CG GLU A 139 3.583 13.656 22.017 1.00 0.00 C ATOM 632 CD GLU A 139 4.286 14.874 22.547 1.00 0.00 C ATOM 633 OE1 GLU A 139 5.145 15.383 21.869 1.00 0.00 O ATOM 634 OE2 GLU A 139 3.889 15.363 23.579 1.00 0.00 O ATOM 0 H GLU A 139 4.273 12.420 18.190 1.00 0.00 H new ATOM 0 HA GLU A 139 3.758 11.140 20.791 1.00 0.00 H new ATOM 0 HB2 GLU A 139 5.210 13.147 20.726 1.00 0.00 H new ATOM 0 HB3 GLU A 139 3.933 14.058 19.946 1.00 0.00 H new ATOM 0 HG2 GLU A 139 2.514 13.855 21.939 1.00 0.00 H new ATOM 0 HG3 GLU A 139 3.703 12.830 22.718 1.00 0.00 H new ATOM 641 N ILE A 140 1.309 11.129 20.563 1.00 0.00 N ATOM 642 CA ILE A 140 -0.147 11.107 20.482 1.00 0.00 C ATOM 643 C ILE A 140 -0.777 11.217 21.864 1.00 0.00 C ATOM 644 O ILE A 140 -0.586 10.348 22.715 1.00 0.00 O ATOM 645 CB ILE A 140 -0.655 9.826 19.796 1.00 0.00 C ATOM 646 CG1 ILE A 140 -0.115 9.734 18.367 1.00 0.00 C ATOM 647 CG2 ILE A 140 -2.176 9.790 19.797 1.00 0.00 C ATOM 648 CD1 ILE A 140 -0.392 8.410 17.692 1.00 0.00 C ATOM 0 H ILE A 140 1.712 10.366 21.106 1.00 0.00 H new ATOM 0 HA ILE A 140 -0.442 11.969 19.883 1.00 0.00 H new ATOM 0 HB ILE A 140 -0.291 8.965 20.357 1.00 0.00 H new ATOM 0 HG12 ILE A 140 -0.554 10.534 17.771 1.00 0.00 H new ATOM 0 HG13 ILE A 140 0.962 9.904 18.384 1.00 0.00 H new ATOM 0 HG21 ILE A 140 -2.519 8.878 19.308 1.00 0.00 H new ATOM 0 HG22 ILE A 140 -2.540 9.810 20.824 1.00 0.00 H new ATOM 0 HG23 ILE A 140 -2.561 10.656 19.259 1.00 0.00 H new ATOM 0 HD11 ILE A 140 0.021 8.422 16.683 1.00 0.00 H new ATOM 0 HD12 ILE A 140 0.071 7.606 18.264 1.00 0.00 H new ATOM 0 HD13 ILE A 140 -1.468 8.246 17.641 1.00 0.00 H new ATOM 660 N GLY A 141 -1.529 12.290 22.082 1.00 0.00 N ATOM 661 CA GLY A 141 -2.199 12.509 23.358 1.00 0.00 C ATOM 662 C GLY A 141 -1.200 12.877 24.449 1.00 0.00 C ATOM 663 O GLY A 141 -1.478 12.717 25.638 1.00 0.00 O ATOM 0 H GLY A 141 -1.690 13.022 21.391 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -2.936 13.305 23.253 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -2.741 11.608 23.646 1.00 0.00 H new ATOM 667 N GLY A 142 -0.037 13.370 24.038 1.00 0.00 N ATOM 668 CA GLY A 142 1.023 13.718 24.976 1.00 0.00 C ATOM 669 C GLY A 142 1.892 12.509 25.299 1.00 0.00 C ATOM 670 O GLY A 142 2.800 12.589 26.126 1.00 0.00 O ATOM 0 H GLY A 142 0.196 13.538 23.059 1.00 0.00 H new ATOM 0 HA2 GLY A 142 1.641 14.510 24.553 1.00 0.00 H new ATOM 0 HA3 GLY A 142 0.585 14.110 25.894 1.00 0.00 H new ATOM 674 N ILE A 143 1.608 11.390 24.640 1.00 0.00 N ATOM 675 CA ILE A 143 2.372 10.166 24.846 1.00 0.00 C ATOM 676 C ILE A 143 3.233 9.843 23.632 1.00 0.00 C ATOM 677 O ILE A 143 2.723 9.673 22.524 1.00 0.00 O ATOM 678 CB ILE A 143 1.452 8.968 25.143 1.00 0.00 C ATOM 679 CG1 ILE A 143 0.613 9.237 26.396 1.00 0.00 C ATOM 680 CG2 ILE A 143 2.269 7.697 25.310 1.00 0.00 C ATOM 681 CD1 ILE A 143 -0.481 8.220 26.629 1.00 0.00 C ATOM 0 H ILE A 143 0.854 11.306 23.958 1.00 0.00 H new ATOM 0 HA ILE A 143 3.016 10.340 25.708 1.00 0.00 H new ATOM 0 HB ILE A 143 0.777 8.833 24.298 1.00 0.00 H new ATOM 0 HG12 ILE A 143 1.271 9.255 27.265 1.00 0.00 H new ATOM 0 HG13 ILE A 143 0.164 10.227 26.316 1.00 0.00 H new ATOM 0 HG21 ILE A 143 1.602 6.861 25.519 1.00 0.00 H new ATOM 0 HG22 ILE A 143 2.824 7.498 24.393 1.00 0.00 H new ATOM 0 HG23 ILE A 143 2.968 7.820 26.137 1.00 0.00 H new ATOM 0 HD11 ILE A 143 -1.031 8.478 27.534 1.00 0.00 H new ATOM 0 HD12 ILE A 143 -1.163 8.218 25.778 1.00 0.00 H new ATOM 0 HD13 ILE A 143 -0.039 7.230 26.743 1.00 0.00 H new ATOM 693 N LYS A 144 4.542 9.759 23.846 1.00 0.00 N ATOM 694 CA LYS A 144 5.483 9.534 22.756 1.00 0.00 C ATOM 695 C LYS A 144 5.634 8.048 22.456 1.00 0.00 C ATOM 696 O LYS A 144 5.997 7.262 23.333 1.00 0.00 O ATOM 697 CB LYS A 144 6.846 10.143 23.089 1.00 0.00 C ATOM 698 CG LYS A 144 6.849 11.663 23.187 1.00 0.00 C ATOM 699 CD LYS A 144 8.230 12.193 23.539 1.00 0.00 C ATOM 700 CE LYS A 144 8.238 13.713 23.616 1.00 0.00 C ATOM 701 NZ LYS A 144 9.586 14.246 23.952 1.00 0.00 N ATOM 0 H LYS A 144 4.975 9.844 24.766 1.00 0.00 H new ATOM 0 HA LYS A 144 5.085 10.023 21.867 1.00 0.00 H new ATOM 0 HB2 LYS A 144 7.194 9.729 24.036 1.00 0.00 H new ATOM 0 HB3 LYS A 144 7.562 9.839 22.326 1.00 0.00 H new ATOM 0 HG2 LYS A 144 6.524 12.091 22.239 1.00 0.00 H new ATOM 0 HG3 LYS A 144 6.132 11.982 23.943 1.00 0.00 H new ATOM 0 HD2 LYS A 144 8.548 11.777 24.495 1.00 0.00 H new ATOM 0 HD3 LYS A 144 8.950 11.861 22.791 1.00 0.00 H new ATOM 0 HE2 LYS A 144 7.912 14.126 22.661 1.00 0.00 H new ATOM 0 HE3 LYS A 144 7.520 14.042 24.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 9.548 15.284 23.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 9.887 13.872 24.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 10.267 13.954 23.222 1.00 0.00 H new ATOM 715 N TYR A 145 5.352 7.668 21.215 1.00 0.00 N ATOM 716 CA TYR A 145 5.520 6.285 20.780 1.00 0.00 C ATOM 717 C TYR A 145 6.723 6.140 19.857 1.00 0.00 C ATOM 718 O TYR A 145 6.897 6.920 18.921 1.00 0.00 O ATOM 719 CB TYR A 145 4.255 5.791 20.076 1.00 0.00 C ATOM 720 CG TYR A 145 3.033 5.748 20.966 1.00 0.00 C ATOM 721 CD1 TYR A 145 2.724 4.609 21.695 1.00 0.00 C ATOM 722 CD2 TYR A 145 2.192 6.846 21.074 1.00 0.00 C ATOM 723 CE1 TYR A 145 1.609 4.565 22.511 1.00 0.00 C ATOM 724 CE2 TYR A 145 1.074 6.812 21.886 1.00 0.00 C ATOM 725 CZ TYR A 145 0.787 5.668 22.603 1.00 0.00 C ATOM 726 OH TYR A 145 -0.325 5.629 23.413 1.00 0.00 O ATOM 0 H TYR A 145 5.006 8.298 20.491 1.00 0.00 H new ATOM 0 HA TYR A 145 5.696 5.674 21.666 1.00 0.00 H new ATOM 0 HB2 TYR A 145 4.049 6.439 19.224 1.00 0.00 H new ATOM 0 HB3 TYR A 145 4.439 4.792 19.680 1.00 0.00 H new ATOM 0 HD1 TYR A 145 3.365 3.743 21.624 1.00 0.00 H new ATOM 0 HD2 TYR A 145 2.415 7.742 20.514 1.00 0.00 H new ATOM 0 HE1 TYR A 145 1.383 3.671 23.074 1.00 0.00 H new ATOM 0 HE2 TYR A 145 0.429 7.675 21.959 1.00 0.00 H new ATOM 0 HH TYR A 145 -0.795 6.488 23.365 1.00 0.00 H new ATOM 736 N THR A 146 7.551 5.137 20.128 1.00 0.00 N ATOM 737 CA THR A 146 8.744 4.892 19.327 1.00 0.00 C ATOM 738 C THR A 146 8.550 3.700 18.400 1.00 0.00 C ATOM 739 O THR A 146 8.152 2.620 18.836 1.00 0.00 O ATOM 740 CB THR A 146 9.979 4.644 20.214 1.00 0.00 C ATOM 741 OG1 THR A 146 10.216 5.790 21.040 1.00 0.00 O ATOM 742 CG2 THR A 146 11.207 4.380 19.357 1.00 0.00 C ATOM 0 H THR A 146 7.417 4.480 20.897 1.00 0.00 H new ATOM 0 HA THR A 146 8.911 5.789 18.730 1.00 0.00 H new ATOM 0 HB THR A 146 9.789 3.771 20.838 1.00 0.00 H new ATOM 0 HG1 THR A 146 11.001 5.630 21.605 1.00 0.00 H new ATOM 0 HG21 THR A 146 12.070 4.207 20.001 1.00 0.00 H new ATOM 0 HG22 THR A 146 11.035 3.501 18.736 1.00 0.00 H new ATOM 0 HG23 THR A 146 11.398 5.243 18.719 1.00 0.00 H new ATOM 750 N GLY A 147 8.835 3.902 17.117 1.00 0.00 N ATOM 751 CA GLY A 147 8.661 2.853 16.120 1.00 0.00 C ATOM 752 C GLY A 147 9.870 1.927 16.078 1.00 0.00 C ATOM 753 O GLY A 147 10.889 2.191 16.715 1.00 0.00 O ATOM 0 H GLY A 147 9.188 4.783 16.744 1.00 0.00 H new ATOM 0 HA2 GLY A 147 7.765 2.276 16.348 1.00 0.00 H new ATOM 0 HA3 GLY A 147 8.509 3.302 15.138 1.00 0.00 H new ATOM 757 N ALA A 148 9.750 0.840 15.322 1.00 0.00 N ATOM 758 CA ALA A 148 10.828 -0.135 15.207 1.00 0.00 C ATOM 759 C ALA A 148 11.806 0.252 14.104 1.00 0.00 C ATOM 760 O ALA A 148 11.418 0.851 13.100 1.00 0.00 O ATOM 761 CB ALA A 148 10.261 -1.522 14.953 1.00 0.00 C ATOM 0 H ALA A 148 8.916 0.613 14.780 1.00 0.00 H new ATOM 0 HA ALA A 148 11.375 -0.147 16.150 1.00 0.00 H new ATOM 0 HB1 ALA A 148 11.078 -2.239 14.869 1.00 0.00 H new ATOM 0 HB2 ALA A 148 9.611 -1.807 15.781 1.00 0.00 H new ATOM 0 HB3 ALA A 148 9.687 -1.516 14.026 1.00 0.00 H new ATOM 767 N ALA A 149 13.073 -0.093 14.295 1.00 0.00 N ATOM 768 CA ALA A 149 14.091 0.131 13.276 1.00 0.00 C ATOM 769 C ALA A 149 13.806 -0.688 12.023 1.00 0.00 C ATOM 770 O ALA A 149 13.576 -1.895 12.099 1.00 0.00 O ATOM 771 CB ALA A 149 15.472 -0.196 13.825 1.00 0.00 C ATOM 0 H ALA A 149 13.421 -0.530 15.148 1.00 0.00 H new ATOM 0 HA ALA A 149 14.065 1.185 13.000 1.00 0.00 H new ATOM 0 HB1 ALA A 149 16.221 -0.024 13.052 1.00 0.00 H new ATOM 0 HB2 ALA A 149 15.683 0.442 14.683 1.00 0.00 H new ATOM 0 HB3 ALA A 149 15.503 -1.241 14.133 1.00 0.00 H new ATOM 777 N THR A 150 13.824 -0.025 10.873 1.00 0.00 N ATOM 778 CA THR A 150 13.538 -0.685 9.604 1.00 0.00 C ATOM 779 C THR A 150 14.629 -0.404 8.579 1.00 0.00 C ATOM 780 O THR A 150 15.463 0.481 8.773 1.00 0.00 O ATOM 781 CB THR A 150 12.180 -0.241 9.029 1.00 0.00 C ATOM 782 OG1 THR A 150 12.199 1.173 8.789 1.00 0.00 O ATOM 783 CG2 THR A 150 11.057 -0.573 9.998 1.00 0.00 C ATOM 0 H THR A 150 14.034 0.970 10.793 1.00 0.00 H new ATOM 0 HA THR A 150 13.503 -1.755 9.808 1.00 0.00 H new ATOM 0 HB THR A 150 12.007 -0.772 8.093 1.00 0.00 H new ATOM 0 HG1 THR A 150 12.216 1.341 7.824 1.00 0.00 H new ATOM 0 HG21 THR A 150 10.105 -0.252 9.575 1.00 0.00 H new ATOM 0 HG22 THR A 150 11.033 -1.649 10.172 1.00 0.00 H new ATOM 0 HG23 THR A 150 11.227 -0.056 10.943 1.00 0.00 H new ATOM 791 N ARG A 151 14.619 -1.160 7.487 1.00 0.00 N ATOM 792 CA ARG A 151 15.642 -1.034 6.457 1.00 0.00 C ATOM 793 C ARG A 151 15.354 0.144 5.534 1.00 0.00 C ATOM 794 O ARG A 151 16.274 0.748 4.981 1.00 0.00 O ATOM 795 CB ARG A 151 15.828 -2.324 5.672 1.00 0.00 C ATOM 796 CG ARG A 151 16.451 -3.468 6.458 1.00 0.00 C ATOM 797 CD ARG A 151 16.618 -4.724 5.682 1.00 0.00 C ATOM 798 NE ARG A 151 17.232 -5.812 6.426 1.00 0.00 N ATOM 799 CZ ARG A 151 17.319 -7.084 5.988 1.00 0.00 C ATOM 800 NH1 ARG A 151 16.801 -7.440 4.833 1.00 0.00 N ATOM 801 NH2 ARG A 151 17.918 -7.972 6.763 1.00 0.00 N ATOM 0 H ARG A 151 13.911 -1.868 7.292 1.00 0.00 H new ATOM 0 HA ARG A 151 16.585 -0.836 6.966 1.00 0.00 H new ATOM 0 HB2 ARG A 151 14.857 -2.647 5.297 1.00 0.00 H new ATOM 0 HB3 ARG A 151 16.453 -2.117 4.803 1.00 0.00 H new ATOM 0 HG2 ARG A 151 17.426 -3.151 6.827 1.00 0.00 H new ATOM 0 HG3 ARG A 151 15.831 -3.674 7.331 1.00 0.00 H new ATOM 0 HD2 ARG A 151 15.641 -5.050 5.326 1.00 0.00 H new ATOM 0 HD3 ARG A 151 17.225 -4.515 4.801 1.00 0.00 H new ATOM 0 HE ARG A 151 17.624 -5.598 7.343 1.00 0.00 H new ATOM 0 HH11 ARG A 151 16.324 -6.749 4.253 1.00 0.00 H new ATOM 0 HH12 ARG A 151 16.876 -8.407 4.517 1.00 0.00 H new ATOM 0 HH21 ARG A 151 18.299 -7.687 7.665 1.00 0.00 H new ATOM 0 HH22 ARG A 151 17.999 -8.942 6.459 1.00 0.00 H new ATOM 815 N THR A 152 14.076 0.464 5.374 1.00 0.00 N ATOM 816 CA THR A 152 13.662 1.527 4.466 1.00 0.00 C ATOM 817 C THR A 152 12.792 2.555 5.180 1.00 0.00 C ATOM 818 O THR A 152 12.247 2.283 6.250 1.00 0.00 O ATOM 819 CB THR A 152 12.888 0.969 3.257 1.00 0.00 C ATOM 820 OG1 THR A 152 11.675 0.350 3.708 1.00 0.00 O ATOM 821 CG2 THR A 152 13.730 -0.056 2.513 1.00 0.00 C ATOM 0 H THR A 152 13.308 0.003 5.861 1.00 0.00 H new ATOM 0 HA THR A 152 14.574 2.009 4.112 1.00 0.00 H new ATOM 0 HB THR A 152 12.655 1.792 2.581 1.00 0.00 H new ATOM 0 HG1 THR A 152 11.875 -0.542 4.062 1.00 0.00 H new ATOM 0 HG21 THR A 152 13.168 -0.440 1.662 1.00 0.00 H new ATOM 0 HG22 THR A 152 14.647 0.414 2.159 1.00 0.00 H new ATOM 0 HG23 THR A 152 13.979 -0.878 3.184 1.00 0.00 H new ATOM 829 N LYS A 153 12.669 3.735 4.585 1.00 0.00 N ATOM 830 CA LYS A 153 11.883 4.813 5.173 1.00 0.00 C ATOM 831 C LYS A 153 10.395 4.491 5.139 1.00 0.00 C ATOM 832 O LYS A 153 9.671 4.748 6.100 1.00 0.00 O ATOM 833 CB LYS A 153 12.153 6.131 4.447 1.00 0.00 C ATOM 834 CG LYS A 153 11.420 7.332 5.030 1.00 0.00 C ATOM 835 CD LYS A 153 11.807 8.618 4.315 1.00 0.00 C ATOM 836 CE LYS A 153 11.055 9.814 4.881 1.00 0.00 C ATOM 837 NZ LYS A 153 11.406 11.075 4.174 1.00 0.00 N ATOM 0 H LYS A 153 13.105 3.970 3.693 1.00 0.00 H new ATOM 0 HA LYS A 153 12.186 4.916 6.215 1.00 0.00 H new ATOM 0 HB2 LYS A 153 13.225 6.330 4.467 1.00 0.00 H new ATOM 0 HB3 LYS A 153 11.869 6.020 3.401 1.00 0.00 H new ATOM 0 HG2 LYS A 153 10.344 7.178 4.949 1.00 0.00 H new ATOM 0 HG3 LYS A 153 11.650 7.421 6.092 1.00 0.00 H new ATOM 0 HD2 LYS A 153 12.880 8.782 4.412 1.00 0.00 H new ATOM 0 HD3 LYS A 153 11.594 8.523 3.250 1.00 0.00 H new ATOM 0 HE2 LYS A 153 9.982 9.639 4.801 1.00 0.00 H new ATOM 0 HE3 LYS A 153 11.283 9.917 5.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 10.873 11.866 4.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 12.426 11.256 4.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 11.165 10.987 3.166 1.00 0.00 H new ATOM 851 N LYS A 154 9.943 3.925 4.024 1.00 0.00 N ATOM 852 CA LYS A 154 8.547 3.528 3.878 1.00 0.00 C ATOM 853 C LYS A 154 8.125 2.579 4.993 1.00 0.00 C ATOM 854 O LYS A 154 7.010 2.666 5.506 1.00 0.00 O ATOM 855 CB LYS A 154 8.317 2.873 2.515 1.00 0.00 C ATOM 856 CG LYS A 154 8.389 3.834 1.336 1.00 0.00 C ATOM 857 CD LYS A 154 8.139 3.113 0.020 1.00 0.00 C ATOM 858 CE LYS A 154 8.226 4.069 -1.161 1.00 0.00 C ATOM 859 NZ LYS A 154 8.023 3.371 -2.459 1.00 0.00 N ATOM 0 H LYS A 154 10.524 3.731 3.208 1.00 0.00 H new ATOM 0 HA LYS A 154 7.935 4.428 3.946 1.00 0.00 H new ATOM 0 HB2 LYS A 154 9.059 2.087 2.373 1.00 0.00 H new ATOM 0 HB3 LYS A 154 7.339 2.392 2.517 1.00 0.00 H new ATOM 0 HG2 LYS A 154 7.652 4.627 1.465 1.00 0.00 H new ATOM 0 HG3 LYS A 154 9.369 4.311 1.312 1.00 0.00 H new ATOM 0 HD2 LYS A 154 8.869 2.313 -0.103 1.00 0.00 H new ATOM 0 HD3 LYS A 154 7.154 2.646 0.040 1.00 0.00 H new ATOM 0 HE2 LYS A 154 7.476 4.852 -1.049 1.00 0.00 H new ATOM 0 HE3 LYS A 154 9.200 4.558 -1.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 8.090 4.058 -3.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 8.754 2.640 -2.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 7.083 2.926 -2.470 1.00 0.00 H new ATOM 873 N ASP A 155 9.023 1.674 5.365 1.00 0.00 N ATOM 874 CA ASP A 155 8.739 0.695 6.407 1.00 0.00 C ATOM 875 C ASP A 155 8.709 1.349 7.783 1.00 0.00 C ATOM 876 O ASP A 155 7.926 0.961 8.649 1.00 0.00 O ATOM 877 CB ASP A 155 9.775 -0.431 6.384 1.00 0.00 C ATOM 878 CG ASP A 155 9.615 -1.407 5.226 1.00 0.00 C ATOM 879 OD1 ASP A 155 8.581 -1.393 4.601 1.00 0.00 O ATOM 880 OD2 ASP A 155 10.579 -2.047 4.877 1.00 0.00 O ATOM 0 H ASP A 155 9.956 1.598 4.959 1.00 0.00 H new ATOM 0 HA ASP A 155 7.754 0.273 6.207 1.00 0.00 H new ATOM 0 HB2 ASP A 155 10.771 0.009 6.338 1.00 0.00 H new ATOM 0 HB3 ASP A 155 9.714 -0.984 7.321 1.00 0.00 H new ATOM 885 N ALA A 156 9.567 2.345 7.978 1.00 0.00 N ATOM 886 CA ALA A 156 9.540 3.154 9.190 1.00 0.00 C ATOM 887 C ALA A 156 8.227 3.915 9.315 1.00 0.00 C ATOM 888 O ALA A 156 7.686 4.065 10.411 1.00 0.00 O ATOM 889 CB ALA A 156 10.718 4.117 9.213 1.00 0.00 C ATOM 0 H ALA A 156 10.291 2.611 7.310 1.00 0.00 H new ATOM 0 HA ALA A 156 9.621 2.482 10.044 1.00 0.00 H new ATOM 0 HB1 ALA A 156 10.683 4.713 10.125 1.00 0.00 H new ATOM 0 HB2 ALA A 156 11.650 3.553 9.185 1.00 0.00 H new ATOM 0 HB3 ALA A 156 10.666 4.776 8.346 1.00 0.00 H new ATOM 895 N GLU A 157 7.719 4.396 8.186 1.00 0.00 N ATOM 896 CA GLU A 157 6.446 5.108 8.161 1.00 0.00 C ATOM 897 C GLU A 157 5.290 4.179 8.507 1.00 0.00 C ATOM 898 O GLU A 157 4.358 4.569 9.212 1.00 0.00 O ATOM 899 CB GLU A 157 6.216 5.747 6.789 1.00 0.00 C ATOM 900 CG GLU A 157 7.209 6.843 6.432 1.00 0.00 C ATOM 901 CD GLU A 157 6.894 8.122 7.157 1.00 0.00 C ATOM 902 OE1 GLU A 157 5.853 8.198 7.764 1.00 0.00 O ATOM 903 OE2 GLU A 157 7.743 8.982 7.200 1.00 0.00 O ATOM 0 H GLU A 157 8.169 4.306 7.275 1.00 0.00 H new ATOM 0 HA GLU A 157 6.488 5.895 8.914 1.00 0.00 H new ATOM 0 HB2 GLU A 157 6.263 4.969 6.027 1.00 0.00 H new ATOM 0 HB3 GLU A 157 5.209 6.162 6.759 1.00 0.00 H new ATOM 0 HG2 GLU A 157 8.219 6.518 6.684 1.00 0.00 H new ATOM 0 HG3 GLU A 157 7.190 7.018 5.356 1.00 0.00 H new ATOM 910 N ILE A 158 5.354 2.951 8.006 1.00 0.00 N ATOM 911 CA ILE A 158 4.375 1.928 8.357 1.00 0.00 C ATOM 912 C ILE A 158 4.401 1.634 9.853 1.00 0.00 C ATOM 913 O ILE A 158 3.353 1.518 10.489 1.00 0.00 O ATOM 914 CB ILE A 158 4.621 0.621 7.582 1.00 0.00 C ATOM 915 CG1 ILE A 158 4.317 0.817 6.095 1.00 0.00 C ATOM 916 CG2 ILE A 158 3.776 -0.505 8.156 1.00 0.00 C ATOM 917 CD1 ILE A 158 4.813 -0.308 5.216 1.00 0.00 C ATOM 0 H ILE A 158 6.074 2.639 7.355 1.00 0.00 H new ATOM 0 HA ILE A 158 3.396 2.321 8.083 1.00 0.00 H new ATOM 0 HB ILE A 158 5.671 0.349 7.686 1.00 0.00 H new ATOM 0 HG12 ILE A 158 3.240 0.919 5.965 1.00 0.00 H new ATOM 0 HG13 ILE A 158 4.768 1.752 5.762 1.00 0.00 H new ATOM 0 HG21 ILE A 158 3.962 -1.422 7.596 1.00 0.00 H new ATOM 0 HG22 ILE A 158 4.038 -0.659 9.203 1.00 0.00 H new ATOM 0 HG23 ILE A 158 2.721 -0.242 8.081 1.00 0.00 H new ATOM 0 HD11 ILE A 158 4.560 -0.097 4.177 1.00 0.00 H new ATOM 0 HD12 ILE A 158 5.895 -0.397 5.315 1.00 0.00 H new ATOM 0 HD13 ILE A 158 4.342 -1.243 5.521 1.00 0.00 H new ATOM 929 N SER A 159 5.602 1.513 10.407 1.00 0.00 N ATOM 930 CA SER A 159 5.766 1.284 11.837 1.00 0.00 C ATOM 931 C SER A 159 5.165 2.423 12.650 1.00 0.00 C ATOM 932 O SER A 159 4.565 2.201 13.701 1.00 0.00 O ATOM 933 CB SER A 159 7.234 1.114 12.174 1.00 0.00 C ATOM 934 OG SER A 159 7.440 0.904 13.543 1.00 0.00 O ATOM 0 H SER A 159 6.477 1.570 9.886 1.00 0.00 H new ATOM 0 HA SER A 159 5.234 0.369 12.097 1.00 0.00 H new ATOM 0 HB2 SER A 159 7.639 0.271 11.614 1.00 0.00 H new ATOM 0 HB3 SER A 159 7.783 2.001 11.857 1.00 0.00 H new ATOM 0 HG SER A 159 7.554 -0.054 13.713 1.00 0.00 H new ATOM 940 N ALA A 160 5.328 3.647 12.156 1.00 0.00 N ATOM 941 CA ALA A 160 4.730 4.816 12.789 1.00 0.00 C ATOM 942 C ALA A 160 3.209 4.736 12.768 1.00 0.00 C ATOM 943 O ALA A 160 2.543 5.135 13.722 1.00 0.00 O ATOM 944 CB ALA A 160 5.205 6.089 12.107 1.00 0.00 C ATOM 0 H ALA A 160 5.871 3.854 11.317 1.00 0.00 H new ATOM 0 HA ALA A 160 5.050 4.836 13.831 1.00 0.00 H new ATOM 0 HB1 ALA A 160 4.750 6.953 12.591 1.00 0.00 H new ATOM 0 HB2 ALA A 160 6.290 6.160 12.184 1.00 0.00 H new ATOM 0 HB3 ALA A 160 4.916 6.068 11.056 1.00 0.00 H new ATOM 950 N GLY A 161 2.665 4.214 11.673 1.00 0.00 N ATOM 951 CA GLY A 161 1.228 3.985 11.566 1.00 0.00 C ATOM 952 C GLY A 161 0.773 2.885 12.514 1.00 0.00 C ATOM 953 O GLY A 161 -0.339 2.926 13.040 1.00 0.00 O ATOM 0 H GLY A 161 3.198 3.942 10.847 1.00 0.00 H new ATOM 0 HA2 GLY A 161 0.693 4.907 11.791 1.00 0.00 H new ATOM 0 HA3 GLY A 161 0.976 3.712 10.541 1.00 0.00 H new ATOM 957 N ARG A 162 1.640 1.902 12.732 1.00 0.00 N ATOM 958 CA ARG A 162 1.332 0.792 13.627 1.00 0.00 C ATOM 959 C ARG A 162 1.235 1.262 15.073 1.00 0.00 C ATOM 960 O ARG A 162 0.336 0.855 15.809 1.00 0.00 O ATOM 961 CB ARG A 162 2.320 -0.356 13.479 1.00 0.00 C ATOM 962 CG ARG A 162 2.169 -1.168 12.202 1.00 0.00 C ATOM 963 CD ARG A 162 3.207 -2.215 12.017 1.00 0.00 C ATOM 964 NE ARG A 162 3.060 -2.999 10.801 1.00 0.00 N ATOM 965 CZ ARG A 162 3.938 -3.933 10.383 1.00 0.00 C ATOM 966 NH1 ARG A 162 5.040 -4.175 11.056 1.00 0.00 N ATOM 967 NH2 ARG A 162 3.672 -4.582 9.263 1.00 0.00 N ATOM 0 H ARG A 162 2.563 1.851 12.301 1.00 0.00 H new ATOM 0 HA ARG A 162 0.355 0.406 13.335 1.00 0.00 H new ATOM 0 HB2 ARG A 162 3.332 0.047 13.519 1.00 0.00 H new ATOM 0 HB3 ARG A 162 2.209 -1.024 14.333 1.00 0.00 H new ATOM 0 HG2 ARG A 162 1.187 -1.642 12.201 1.00 0.00 H new ATOM 0 HG3 ARG A 162 2.197 -0.490 11.349 1.00 0.00 H new ATOM 0 HD2 ARG A 162 4.188 -1.740 12.012 1.00 0.00 H new ATOM 0 HD3 ARG A 162 3.183 -2.888 12.874 1.00 0.00 H new ATOM 0 HE ARG A 162 2.236 -2.831 10.224 1.00 0.00 H new ATOM 0 HH11 ARG A 162 5.242 -3.653 11.909 1.00 0.00 H new ATOM 0 HH12 ARG A 162 5.694 -4.885 10.726 1.00 0.00 H new ATOM 0 HH21 ARG A 162 2.822 -4.371 8.741 1.00 0.00 H new ATOM 0 HH22 ARG A 162 4.317 -5.294 8.921 1.00 0.00 H new ATOM 981 N THR A 163 2.167 2.119 15.474 1.00 0.00 N ATOM 982 CA THR A 163 2.153 2.694 16.815 1.00 0.00 C ATOM 983 C THR A 163 1.007 3.685 16.976 1.00 0.00 C ATOM 984 O THR A 163 0.486 3.873 18.075 1.00 0.00 O ATOM 985 CB THR A 163 3.481 3.403 17.140 1.00 0.00 C ATOM 986 OG1 THR A 163 3.734 4.420 16.162 1.00 0.00 O ATOM 987 CG2 THR A 163 4.630 2.407 17.140 1.00 0.00 C ATOM 0 H THR A 163 2.942 2.431 14.890 1.00 0.00 H new ATOM 0 HA THR A 163 2.015 1.866 17.511 1.00 0.00 H new ATOM 0 HB THR A 163 3.404 3.853 18.130 1.00 0.00 H new ATOM 0 HG1 THR A 163 3.096 4.330 15.424 1.00 0.00 H new ATOM 0 HG21 THR A 163 5.561 2.925 17.371 1.00 0.00 H new ATOM 0 HG22 THR A 163 4.446 1.639 17.891 1.00 0.00 H new ATOM 0 HG23 THR A 163 4.708 1.942 16.157 1.00 0.00 H new ATOM 995 N ALA A 164 0.618 4.317 15.873 1.00 0.00 N ATOM 996 CA ALA A 164 -0.555 5.182 15.860 1.00 0.00 C ATOM 997 C ALA A 164 -1.831 4.381 16.086 1.00 0.00 C ATOM 998 O ALA A 164 -2.736 4.825 16.794 1.00 0.00 O ATOM 999 CB ALA A 164 -0.634 5.948 14.548 1.00 0.00 C ATOM 0 H ALA A 164 1.099 4.246 14.976 1.00 0.00 H new ATOM 0 HA ALA A 164 -0.457 5.896 16.678 1.00 0.00 H new ATOM 0 HB1 ALA A 164 -1.515 6.589 14.554 1.00 0.00 H new ATOM 0 HB2 ALA A 164 0.260 6.560 14.430 1.00 0.00 H new ATOM 0 HB3 ALA A 164 -0.703 5.244 13.719 1.00 0.00 H new ATOM 1005 N LEU A 165 -1.900 3.200 15.482 1.00 0.00 N ATOM 1006 CA LEU A 165 -3.041 2.312 15.661 1.00 0.00 C ATOM 1007 C LEU A 165 -3.099 1.770 17.084 1.00 0.00 C ATOM 1008 O LEU A 165 -4.178 1.606 17.652 1.00 0.00 O ATOM 1009 CB LEU A 165 -2.978 1.158 14.652 1.00 0.00 C ATOM 1010 CG LEU A 165 -3.250 1.549 13.195 1.00 0.00 C ATOM 1011 CD1 LEU A 165 -2.971 0.367 12.276 1.00 0.00 C ATOM 1012 CD2 LEU A 165 -4.692 2.014 13.053 1.00 0.00 C ATOM 0 H LEU A 165 -1.176 2.835 14.862 1.00 0.00 H new ATOM 0 HA LEU A 165 -3.949 2.888 15.484 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -1.991 0.699 14.710 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -3.701 0.398 14.948 1.00 0.00 H new ATOM 0 HG LEU A 165 -2.589 2.367 12.909 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -3.167 0.655 11.243 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -1.928 0.066 12.377 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -3.618 -0.467 12.549 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -4.884 2.292 12.017 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -5.365 1.207 13.343 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -4.861 2.877 13.697 1.00 0.00 H new