USER MOD reduce.3.24.130724 H: found=0, std=0, add=300, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 302 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 123 THR OG1 : rot -37:sc= 1.26 USER MOD Set 1.2: A 124 SER OG : rot 180:sc= -0.0738 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 114 SER OG : rot 180:sc= -0.192 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 ASN : amide:sc= -0.198 K(o=-0.2,f=0.85) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 133 THR OG1 : rot 180:sc= -0.782 USER MOD Single : A 146 THR OG1 : rot 170:sc= -0.717 USER MOD Single : A 153 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.18) USER MOD Single : A 155 SER OG : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 THR OG1 : rot 158:sc= -0.582 USER MOD ----------------------------------------------------------------- ATOM 49 N GLN A 113 10.802 -0.738 -5.487 1.00 20.22 N ATOM 50 CA GLN A 113 11.512 -1.770 -6.233 1.00 41.13 C ATOM 51 C GLN A 113 12.582 -2.429 -5.369 1.00 14.04 C ATOM 52 O GLN A 113 13.273 -1.759 -4.601 1.00 34.31 O ATOM 53 CB GLN A 113 12.151 -1.173 -7.488 1.00 52.34 C ATOM 54 CG GLN A 113 11.140 -0.739 -8.538 1.00 2.32 C ATOM 55 CD GLN A 113 11.791 -0.081 -9.739 1.00 24.44 C ATOM 56 OE1 GLN A 113 12.559 0.871 -9.599 1.00 52.41 O ATOM 57 NE2 GLN A 113 11.488 -0.588 -10.928 1.00 63.10 N ATOM 0 HA GLN A 113 10.789 -2.531 -6.528 1.00 41.13 H new ATOM 0 HB2 GLN A 113 12.758 -0.314 -7.203 1.00 52.34 H new ATOM 0 HB3 GLN A 113 12.826 -1.908 -7.927 1.00 52.34 H new ATOM 0 HG2 GLN A 113 10.570 -1.607 -8.869 1.00 2.32 H new ATOM 0 HG3 GLN A 113 10.430 -0.044 -8.088 1.00 2.32 H new ATOM 0 HE21 GLN A 113 10.846 -1.378 -10.997 1.00 63.10 H new ATOM 0 HE22 GLN A 113 11.897 -0.188 -11.772 1.00 63.10 H new ATOM 66 N SER A 114 12.712 -3.745 -5.498 1.00 62.42 N ATOM 67 CA SER A 114 13.695 -4.496 -4.725 1.00 51.23 C ATOM 68 C SER A 114 14.689 -5.198 -5.646 1.00 12.33 C ATOM 69 O SER A 114 14.527 -5.202 -6.867 1.00 5.14 O ATOM 70 CB SER A 114 12.996 -5.523 -3.832 1.00 42.04 C ATOM 71 OG SER A 114 13.919 -6.152 -2.960 1.00 61.34 O ATOM 0 H SER A 114 12.149 -4.314 -6.130 1.00 62.42 H new ATOM 0 HA SER A 114 14.242 -3.792 -4.098 1.00 51.23 H new ATOM 0 HB2 SER A 114 12.217 -5.032 -3.249 1.00 42.04 H new ATOM 0 HB3 SER A 114 12.506 -6.274 -4.451 1.00 42.04 H new ATOM 0 HG SER A 114 13.448 -6.803 -2.399 1.00 61.34 H new ATOM 77 N THR A 115 15.719 -5.792 -5.051 1.00 50.30 N ATOM 78 CA THR A 115 16.741 -6.496 -5.815 1.00 54.04 C ATOM 79 C THR A 115 16.751 -7.983 -5.480 1.00 11.12 C ATOM 80 O THR A 115 16.580 -8.370 -4.323 1.00 73.15 O ATOM 81 CB THR A 115 18.141 -5.912 -5.552 1.00 65.11 C ATOM 82 OG1 THR A 115 18.458 -6.008 -4.159 1.00 2.20 O ATOM 83 CG2 THR A 115 18.214 -4.459 -5.995 1.00 50.42 C ATOM 0 H THR A 115 15.867 -5.799 -4.042 1.00 50.30 H new ATOM 0 HA THR A 115 16.494 -6.366 -6.869 1.00 54.04 H new ATOM 0 HB THR A 115 18.865 -6.488 -6.129 1.00 65.11 H new ATOM 0 HG1 THR A 115 19.351 -5.636 -4.000 1.00 2.20 H new ATOM 0 HG21 THR A 115 19.213 -4.069 -5.799 1.00 50.42 H new ATOM 0 HG22 THR A 115 18.002 -4.393 -7.062 1.00 50.42 H new ATOM 0 HG23 THR A 115 17.480 -3.873 -5.442 1.00 50.42 H new ATOM 91 N CYS A 116 16.954 -8.813 -6.497 1.00 55.05 N ATOM 92 CA CYS A 116 16.987 -10.258 -6.311 1.00 33.50 C ATOM 93 C CYS A 116 17.239 -10.972 -7.636 1.00 75.20 C ATOM 94 O CYS A 116 16.968 -10.445 -8.715 1.00 41.21 O ATOM 95 CB CYS A 116 15.672 -10.745 -5.699 1.00 33.11 C ATOM 96 SG CYS A 116 14.183 -10.049 -6.485 1.00 61.34 S ATOM 0 H CYS A 116 17.098 -8.509 -7.460 1.00 55.05 H new ATOM 0 HA CYS A 116 17.806 -10.493 -5.631 1.00 33.50 H new ATOM 0 HB2 CYS A 116 15.632 -11.832 -5.768 1.00 33.11 H new ATOM 0 HB3 CYS A 116 15.662 -10.493 -4.639 1.00 33.11 H new ATOM 101 N PRO A 117 17.769 -12.202 -7.554 1.00 51.53 N ATOM 102 CA PRO A 117 18.068 -13.015 -8.737 1.00 3.33 C ATOM 103 C PRO A 117 16.806 -13.500 -9.441 1.00 40.45 C ATOM 104 O PRO A 117 15.881 -13.998 -8.802 1.00 74.41 O ATOM 105 CB PRO A 117 18.850 -14.200 -8.164 1.00 14.33 C ATOM 106 CG PRO A 117 18.400 -14.300 -6.747 1.00 31.40 C ATOM 107 CD PRO A 117 18.117 -12.892 -6.301 1.00 73.53 C ATOM 0 HA PRO A 117 18.615 -12.451 -9.492 1.00 3.33 H new ATOM 0 HB2 PRO A 117 18.637 -15.117 -8.713 1.00 14.33 H new ATOM 0 HB3 PRO A 117 19.925 -14.033 -8.227 1.00 14.33 H new ATOM 0 HG2 PRO A 117 17.509 -14.922 -6.664 1.00 31.40 H new ATOM 0 HG3 PRO A 117 19.168 -14.759 -6.125 1.00 31.40 H new ATOM 0 HD2 PRO A 117 17.299 -12.855 -5.581 1.00 73.53 H new ATOM 0 HD3 PRO A 117 18.985 -12.440 -5.821 1.00 73.53 H new ATOM 115 N GLU A 118 16.776 -13.350 -10.762 1.00 44.11 N ATOM 116 CA GLU A 118 15.626 -13.773 -11.552 1.00 64.05 C ATOM 117 C GLU A 118 15.419 -15.281 -11.448 1.00 23.34 C ATOM 118 O GLU A 118 16.377 -16.054 -11.486 1.00 4.13 O ATOM 119 CB GLU A 118 15.812 -13.373 -13.018 1.00 33.32 C ATOM 120 CG GLU A 118 16.833 -14.222 -13.756 1.00 23.13 C ATOM 121 CD GLU A 118 16.950 -13.851 -15.221 1.00 64.34 C ATOM 122 OE1 GLU A 118 17.662 -12.873 -15.531 1.00 71.25 O ATOM 123 OE2 GLU A 118 16.330 -14.540 -16.058 1.00 61.24 O ATOM 0 H GLU A 118 17.534 -12.939 -11.307 1.00 44.11 H new ATOM 0 HA GLU A 118 14.742 -13.274 -11.155 1.00 64.05 H new ATOM 0 HB2 GLU A 118 14.853 -13.446 -13.530 1.00 33.32 H new ATOM 0 HB3 GLU A 118 16.119 -12.328 -13.065 1.00 33.32 H new ATOM 0 HG2 GLU A 118 17.806 -14.111 -13.278 1.00 23.13 H new ATOM 0 HG3 GLU A 118 16.555 -15.273 -13.672 1.00 23.13 H new ATOM 130 N ILE A 119 14.163 -15.692 -11.315 1.00 33.11 N ATOM 131 CA ILE A 119 13.830 -17.107 -11.205 1.00 53.10 C ATOM 132 C ILE A 119 14.388 -17.896 -12.384 1.00 64.40 C ATOM 133 O ILE A 119 14.247 -17.510 -13.545 1.00 32.35 O ATOM 134 CB ILE A 119 12.307 -17.323 -11.133 1.00 15.23 C ATOM 135 CG1 ILE A 119 11.713 -16.535 -9.963 1.00 52.01 C ATOM 136 CG2 ILE A 119 11.987 -18.804 -10.997 1.00 64.10 C ATOM 137 CD1 ILE A 119 10.219 -16.717 -9.808 1.00 61.04 C ATOM 0 H ILE A 119 13.359 -15.065 -11.281 1.00 33.11 H new ATOM 0 HA ILE A 119 14.284 -17.467 -10.282 1.00 53.10 H new ATOM 0 HB ILE A 119 11.860 -16.958 -12.058 1.00 15.23 H new ATOM 0 HG12 ILE A 119 12.206 -16.843 -9.041 1.00 52.01 H new ATOM 0 HG13 ILE A 119 11.929 -15.476 -10.102 1.00 52.01 H new ATOM 0 HG21 ILE A 119 10.907 -18.940 -10.947 1.00 64.10 H new ATOM 0 HG22 ILE A 119 12.381 -19.342 -11.859 1.00 64.10 H new ATOM 0 HG23 ILE A 119 12.444 -19.193 -10.087 1.00 64.10 H new ATOM 0 HD11 ILE A 119 9.867 -16.130 -8.960 1.00 61.04 H new ATOM 0 HD12 ILE A 119 9.716 -16.382 -10.715 1.00 61.04 H new ATOM 0 HD13 ILE A 119 9.997 -17.770 -9.637 1.00 61.04 H new ATOM 149 N PRO A 120 15.038 -19.031 -12.082 1.00 54.42 N ATOM 150 CA PRO A 120 15.629 -19.900 -13.104 1.00 32.14 C ATOM 151 C PRO A 120 14.572 -20.612 -13.941 1.00 30.52 C ATOM 152 O PRO A 120 13.554 -21.066 -13.418 1.00 11.23 O ATOM 153 CB PRO A 120 16.434 -20.912 -12.285 1.00 21.31 C ATOM 154 CG PRO A 120 15.763 -20.943 -10.955 1.00 61.42 C ATOM 155 CD PRO A 120 15.244 -19.552 -10.721 1.00 1.25 C ATOM 0 HA PRO A 120 16.228 -19.338 -13.821 1.00 32.14 H new ATOM 0 HB2 PRO A 120 16.428 -21.896 -12.755 1.00 21.31 H new ATOM 0 HB3 PRO A 120 17.477 -20.608 -12.195 1.00 21.31 H new ATOM 0 HG2 PRO A 120 14.951 -21.670 -10.945 1.00 61.42 H new ATOM 0 HG3 PRO A 120 16.462 -21.236 -10.172 1.00 61.42 H new ATOM 0 HD2 PRO A 120 14.316 -19.560 -10.149 1.00 1.25 H new ATOM 0 HD3 PRO A 120 15.957 -18.946 -10.162 1.00 1.25 H new ATOM 163 N ASP A 121 14.821 -20.708 -15.242 1.00 55.12 N ATOM 164 CA ASP A 121 13.891 -21.367 -16.152 1.00 14.01 C ATOM 165 C ASP A 121 14.632 -22.296 -17.108 1.00 42.22 C ATOM 166 O ASP A 121 15.759 -22.013 -17.517 1.00 33.42 O ATOM 167 CB ASP A 121 13.096 -20.328 -16.944 1.00 50.32 C ATOM 168 CG ASP A 121 11.905 -20.933 -17.662 1.00 3.14 C ATOM 169 OD1 ASP A 121 12.074 -21.387 -18.813 1.00 31.43 O ATOM 170 OD2 ASP A 121 10.805 -20.953 -17.072 1.00 1.24 O ATOM 0 H ASP A 121 15.659 -20.338 -15.691 1.00 55.12 H new ATOM 0 HA ASP A 121 13.201 -21.964 -15.556 1.00 14.01 H new ATOM 0 HB2 ASP A 121 12.750 -19.547 -16.267 1.00 50.32 H new ATOM 0 HB3 ASP A 121 13.752 -19.851 -17.673 1.00 50.32 H new ATOM 175 N LYS A 122 13.993 -23.406 -17.461 1.00 22.11 N ATOM 176 CA LYS A 122 14.591 -24.378 -18.369 1.00 52.32 C ATOM 177 C LYS A 122 14.864 -23.751 -19.733 1.00 23.32 C ATOM 178 O LYS A 122 15.647 -24.278 -20.524 1.00 71.04 O ATOM 179 CB LYS A 122 13.671 -25.591 -18.528 1.00 42.54 C ATOM 180 CG LYS A 122 13.839 -26.629 -17.433 1.00 63.31 C ATOM 181 CD LYS A 122 15.161 -27.367 -17.562 1.00 45.21 C ATOM 182 CE LYS A 122 15.079 -28.483 -18.592 1.00 32.34 C ATOM 183 NZ LYS A 122 16.344 -29.265 -18.665 1.00 20.34 N ATOM 0 H LYS A 122 13.060 -23.655 -17.132 1.00 22.11 H new ATOM 0 HA LYS A 122 15.540 -24.703 -17.941 1.00 52.32 H new ATOM 0 HB2 LYS A 122 12.635 -25.252 -18.540 1.00 42.54 H new ATOM 0 HB3 LYS A 122 13.864 -26.059 -19.493 1.00 42.54 H new ATOM 0 HG2 LYS A 122 13.786 -26.143 -16.459 1.00 63.31 H new ATOM 0 HG3 LYS A 122 13.017 -27.343 -17.478 1.00 63.31 H new ATOM 0 HD2 LYS A 122 15.944 -26.665 -17.847 1.00 45.21 H new ATOM 0 HD3 LYS A 122 15.442 -27.783 -16.595 1.00 45.21 H new ATOM 0 HE2 LYS A 122 14.254 -29.150 -18.340 1.00 32.34 H new ATOM 0 HE3 LYS A 122 14.858 -28.058 -19.571 1.00 32.34 H new ATOM 0 HZ1 LYS A 122 16.247 -30.016 -19.378 1.00 20.34 H new ATOM 0 HZ2 LYS A 122 17.127 -28.634 -18.930 1.00 20.34 H new ATOM 0 HZ3 LYS A 122 16.542 -29.692 -17.738 1.00 20.34 H new ATOM 197 N THR A 123 14.216 -22.622 -20.001 1.00 75.34 N ATOM 198 CA THR A 123 14.389 -21.924 -21.269 1.00 21.02 C ATOM 199 C THR A 123 15.149 -20.617 -21.077 1.00 5.13 C ATOM 200 O THR A 123 15.683 -20.052 -22.031 1.00 53.25 O ATOM 201 CB THR A 123 13.033 -21.623 -21.935 1.00 1.15 C ATOM 202 OG1 THR A 123 12.379 -20.548 -21.250 1.00 63.23 O ATOM 203 CG2 THR A 123 12.140 -22.854 -21.925 1.00 62.52 C ATOM 0 H THR A 123 13.566 -22.171 -19.357 1.00 75.34 H new ATOM 0 HA THR A 123 14.965 -22.585 -21.917 1.00 21.02 H new ATOM 0 HB THR A 123 13.217 -21.336 -22.970 1.00 1.15 H new ATOM 0 HG1 THR A 123 12.551 -20.621 -20.288 1.00 63.23 H new ATOM 0 HG21 THR A 123 11.188 -22.617 -22.401 1.00 62.52 H new ATOM 0 HG22 THR A 123 12.627 -23.662 -22.471 1.00 62.52 H new ATOM 0 HG23 THR A 123 11.963 -23.167 -20.896 1.00 62.52 H new ATOM 211 N SER A 124 15.196 -20.142 -19.836 1.00 41.53 N ATOM 212 CA SER A 124 15.889 -18.898 -19.520 1.00 23.33 C ATOM 213 C SER A 124 17.064 -19.155 -18.581 1.00 22.31 C ATOM 214 O SER A 124 16.876 -19.518 -17.419 1.00 44.12 O ATOM 215 CB SER A 124 14.922 -17.898 -18.883 1.00 23.30 C ATOM 216 OG SER A 124 13.604 -18.084 -19.368 1.00 71.12 O ATOM 0 H SER A 124 14.763 -20.599 -19.034 1.00 41.53 H new ATOM 0 HA SER A 124 16.274 -18.479 -20.450 1.00 23.33 H new ATOM 0 HB2 SER A 124 14.934 -18.015 -17.799 1.00 23.30 H new ATOM 0 HB3 SER A 124 15.252 -16.881 -19.097 1.00 23.30 H new ATOM 0 HG SER A 124 13.005 -17.434 -18.945 1.00 71.12 H new ATOM 222 N ILE A 125 18.275 -18.965 -19.093 1.00 43.22 N ATOM 223 CA ILE A 125 19.481 -19.175 -18.301 1.00 52.42 C ATOM 224 C ILE A 125 20.340 -17.915 -18.264 1.00 20.43 C ATOM 225 O ILE A 125 20.202 -17.031 -19.109 1.00 51.22 O ATOM 226 CB ILE A 125 20.322 -20.340 -18.854 1.00 71.22 C ATOM 227 CG1 ILE A 125 19.426 -21.342 -19.586 1.00 22.14 C ATOM 228 CG2 ILE A 125 21.083 -21.025 -17.729 1.00 11.12 C ATOM 229 CD1 ILE A 125 18.366 -21.962 -18.702 1.00 62.13 C ATOM 0 H ILE A 125 18.447 -18.666 -20.053 1.00 43.22 H new ATOM 0 HA ILE A 125 19.156 -19.421 -17.290 1.00 52.42 H new ATOM 0 HB ILE A 125 21.045 -19.941 -19.565 1.00 71.22 H new ATOM 0 HG12 ILE A 125 18.941 -20.840 -20.423 1.00 22.14 H new ATOM 0 HG13 ILE A 125 20.047 -22.134 -20.005 1.00 22.14 H new ATOM 0 HG21 ILE A 125 21.673 -21.846 -18.136 1.00 11.12 H new ATOM 0 HG22 ILE A 125 21.746 -20.306 -17.248 1.00 11.12 H new ATOM 0 HG23 ILE A 125 20.376 -21.414 -16.996 1.00 11.12 H new ATOM 0 HD11 ILE A 125 17.768 -22.661 -19.286 1.00 62.13 H new ATOM 0 HD12 ILE A 125 18.844 -22.493 -17.879 1.00 62.13 H new ATOM 0 HD13 ILE A 125 17.721 -21.179 -18.303 1.00 62.13 H new ATOM 241 N CYS A 126 21.229 -17.842 -17.279 1.00 1.50 N ATOM 242 CA CYS A 126 22.113 -16.692 -17.131 1.00 1.22 C ATOM 243 C CYS A 126 23.549 -17.059 -17.495 1.00 53.23 C ATOM 244 O CYS A 126 24.005 -18.168 -17.221 1.00 4.42 O ATOM 245 CB CYS A 126 22.059 -16.162 -15.697 1.00 0.05 C ATOM 246 SG CYS A 126 23.308 -14.889 -15.327 1.00 1.43 S ATOM 0 H CYS A 126 21.356 -18.566 -16.571 1.00 1.50 H new ATOM 0 HA CYS A 126 21.771 -15.913 -17.813 1.00 1.22 H new ATOM 0 HB2 CYS A 126 21.068 -15.748 -15.511 1.00 0.05 H new ATOM 0 HB3 CYS A 126 22.191 -16.996 -15.008 1.00 0.05 H new ATOM 251 N ASN A 127 24.255 -16.119 -18.115 1.00 53.23 N ATOM 252 CA ASN A 127 25.638 -16.343 -18.518 1.00 4.10 C ATOM 253 C ASN A 127 26.605 -15.718 -17.516 1.00 54.54 C ATOM 254 O ASN A 127 26.186 -15.090 -16.544 1.00 2.42 O ATOM 255 CB ASN A 127 25.886 -15.764 -19.912 1.00 51.33 C ATOM 256 CG ASN A 127 24.691 -15.934 -20.830 1.00 35.23 C ATOM 257 OD1 ASN A 127 24.289 -15.000 -21.524 1.00 60.54 O ATOM 258 ND2 ASN A 127 24.115 -17.131 -20.836 1.00 25.13 N ATOM 0 H ASN A 127 23.892 -15.195 -18.349 1.00 53.23 H new ATOM 0 HA ASN A 127 25.813 -17.419 -18.543 1.00 4.10 H new ATOM 0 HB2 ASN A 127 26.126 -14.704 -19.825 1.00 51.33 H new ATOM 0 HB3 ASN A 127 26.754 -16.252 -20.356 1.00 51.33 H new ATOM 0 HD21 ASN A 127 23.306 -17.305 -21.432 1.00 25.13 H new ATOM 0 HD22 ASN A 127 24.482 -17.876 -20.244 1.00 25.13 H new ATOM 265 N SER A 128 27.899 -15.893 -17.762 1.00 30.40 N ATOM 266 CA SER A 128 28.925 -15.349 -16.880 1.00 61.34 C ATOM 267 C SER A 128 28.830 -13.828 -16.810 1.00 31.22 C ATOM 268 O SER A 128 28.106 -13.204 -17.586 1.00 1.13 O ATOM 269 CB SER A 128 30.316 -15.763 -17.366 1.00 11.43 C ATOM 270 OG SER A 128 30.893 -16.726 -16.501 1.00 14.42 O ATOM 0 H SER A 128 28.262 -16.407 -18.565 1.00 30.40 H new ATOM 0 HA SER A 128 28.762 -15.752 -15.880 1.00 61.34 H new ATOM 0 HB2 SER A 128 30.246 -16.171 -18.374 1.00 11.43 H new ATOM 0 HB3 SER A 128 30.961 -14.886 -17.421 1.00 11.43 H new ATOM 0 HG SER A 128 31.780 -16.975 -16.834 1.00 14.42 H new ATOM 276 N ASP A 129 29.566 -13.239 -15.874 1.00 14.31 N ATOM 277 CA ASP A 129 29.566 -11.791 -15.701 1.00 41.32 C ATOM 278 C ASP A 129 29.967 -11.089 -16.995 1.00 71.22 C ATOM 279 O ASP A 129 29.517 -9.979 -17.276 1.00 55.10 O ATOM 280 CB ASP A 129 30.519 -11.390 -14.573 1.00 74.54 C ATOM 281 CG ASP A 129 30.308 -12.214 -13.318 1.00 61.32 C ATOM 282 OD1 ASP A 129 30.857 -13.333 -13.245 1.00 32.53 O ATOM 283 OD2 ASP A 129 29.594 -11.740 -12.410 1.00 20.23 O ATOM 0 H ASP A 129 30.170 -13.742 -15.224 1.00 14.31 H new ATOM 0 HA ASP A 129 28.554 -11.482 -15.439 1.00 41.32 H new ATOM 0 HB2 ASP A 129 31.548 -11.506 -14.912 1.00 74.54 H new ATOM 0 HB3 ASP A 129 30.378 -10.335 -14.340 1.00 74.54 H new ATOM 288 N ALA A 130 30.817 -11.745 -17.779 1.00 11.42 N ATOM 289 CA ALA A 130 31.278 -11.184 -19.043 1.00 73.41 C ATOM 290 C ALA A 130 30.311 -11.515 -20.175 1.00 32.20 C ATOM 291 O ALA A 130 30.506 -11.092 -21.314 1.00 51.15 O ATOM 292 CB ALA A 130 32.672 -11.697 -19.371 1.00 21.43 C ATOM 0 H ALA A 130 31.200 -12.665 -17.561 1.00 11.42 H new ATOM 0 HA ALA A 130 31.317 -10.100 -18.938 1.00 73.41 H new ATOM 0 HB1 ALA A 130 33.004 -11.270 -20.317 1.00 21.43 H new ATOM 0 HB2 ALA A 130 33.363 -11.405 -18.580 1.00 21.43 H new ATOM 0 HB3 ALA A 130 32.650 -12.784 -19.451 1.00 21.43 H new ATOM 298 N ASP A 131 29.269 -12.274 -19.854 1.00 31.12 N ATOM 299 CA ASP A 131 28.271 -12.662 -20.844 1.00 50.51 C ATOM 300 C ASP A 131 26.870 -12.271 -20.385 1.00 53.41 C ATOM 301 O ASP A 131 25.874 -12.643 -21.007 1.00 45.15 O ATOM 302 CB ASP A 131 28.335 -14.168 -21.102 1.00 1.23 C ATOM 303 CG ASP A 131 29.585 -14.573 -21.858 1.00 72.21 C ATOM 304 OD1 ASP A 131 29.891 -13.932 -22.886 1.00 31.43 O ATOM 305 OD2 ASP A 131 30.257 -15.531 -21.422 1.00 43.41 O ATOM 0 H ASP A 131 29.093 -12.633 -18.916 1.00 31.12 H new ATOM 0 HA ASP A 131 28.491 -12.133 -21.771 1.00 50.51 H new ATOM 0 HB2 ASP A 131 28.302 -14.698 -20.150 1.00 1.23 H new ATOM 0 HB3 ASP A 131 27.456 -14.474 -21.669 1.00 1.23 H new ATOM 310 N CYS A 132 26.799 -11.519 -19.292 1.00 10.32 N ATOM 311 CA CYS A 132 25.520 -11.078 -18.748 1.00 23.05 C ATOM 312 C CYS A 132 25.421 -9.555 -18.756 1.00 62.32 C ATOM 313 O CYS A 132 26.306 -8.861 -18.254 1.00 14.12 O ATOM 314 CB CYS A 132 25.341 -11.604 -17.322 1.00 12.41 C ATOM 315 SG CYS A 132 23.602 -11.761 -16.801 1.00 63.31 S ATOM 0 H CYS A 132 27.613 -11.202 -18.765 1.00 10.32 H new ATOM 0 HA CYS A 132 24.727 -11.479 -19.379 1.00 23.05 H new ATOM 0 HB2 CYS A 132 25.823 -12.579 -17.242 1.00 12.41 H new ATOM 0 HB3 CYS A 132 25.857 -10.936 -16.632 1.00 12.41 H new ATOM 320 N THR A 133 24.338 -9.041 -19.331 1.00 30.53 N ATOM 321 CA THR A 133 24.123 -7.602 -19.406 1.00 73.01 C ATOM 322 C THR A 133 22.869 -7.193 -18.642 1.00 12.20 C ATOM 323 O THR A 133 21.882 -7.927 -18.582 1.00 51.42 O ATOM 324 CB THR A 133 23.998 -7.128 -20.867 1.00 34.55 C ATOM 325 OG1 THR A 133 23.405 -5.826 -20.910 1.00 54.20 O ATOM 326 CG2 THR A 133 23.158 -8.101 -21.681 1.00 14.03 C ATOM 0 H THR A 133 23.596 -9.601 -19.752 1.00 30.53 H new ATOM 0 HA THR A 133 24.993 -7.128 -18.951 1.00 73.01 H new ATOM 0 HB THR A 133 24.998 -7.086 -21.299 1.00 34.55 H new ATOM 0 HG1 THR A 133 23.330 -5.531 -21.842 1.00 54.20 H new ATOM 0 HG21 THR A 133 23.084 -7.746 -22.709 1.00 14.03 H new ATOM 0 HG22 THR A 133 23.628 -9.085 -21.670 1.00 14.03 H new ATOM 0 HG23 THR A 133 22.160 -8.171 -21.248 1.00 14.03 H new ATOM 334 N PRO A 134 22.905 -5.993 -18.043 1.00 72.13 N ATOM 335 CA PRO A 134 21.778 -5.459 -17.273 1.00 0.32 C ATOM 336 C PRO A 134 20.593 -5.090 -18.159 1.00 31.23 C ATOM 337 O PRO A 134 20.575 -5.400 -19.349 1.00 42.01 O ATOM 338 CB PRO A 134 22.362 -4.207 -16.612 1.00 74.24 C ATOM 339 CG PRO A 134 23.480 -3.794 -17.506 1.00 21.13 C ATOM 340 CD PRO A 134 24.048 -5.066 -18.073 1.00 2.41 C ATOM 0 HA PRO A 134 21.386 -6.189 -16.565 1.00 0.32 H new ATOM 0 HB2 PRO A 134 21.613 -3.420 -16.524 1.00 74.24 H new ATOM 0 HB3 PRO A 134 22.719 -4.421 -15.605 1.00 74.24 H new ATOM 0 HG2 PRO A 134 23.123 -3.138 -18.300 1.00 21.13 H new ATOM 0 HG3 PRO A 134 24.238 -3.241 -16.952 1.00 21.13 H new ATOM 0 HD2 PRO A 134 24.422 -4.922 -19.087 1.00 2.41 H new ATOM 0 HD3 PRO A 134 24.881 -5.436 -17.475 1.00 2.41 H new ATOM 348 N GLY A 135 19.603 -4.426 -17.569 1.00 41.14 N ATOM 349 CA GLY A 135 18.428 -4.026 -18.321 1.00 13.13 C ATOM 350 C GLY A 135 17.554 -5.205 -18.701 1.00 14.53 C ATOM 351 O GLY A 135 17.125 -5.971 -17.839 1.00 32.44 O ATOM 0 H GLY A 135 19.594 -4.158 -16.585 1.00 41.14 H new ATOM 0 HA2 GLY A 135 17.844 -3.321 -17.729 1.00 13.13 H new ATOM 0 HA3 GLY A 135 18.740 -3.502 -19.225 1.00 13.13 H new ATOM 447 N GLY A 143 11.674 -7.378 -14.175 1.00 14.44 N ATOM 448 CA GLY A 143 12.770 -6.782 -13.434 1.00 13.54 C ATOM 449 C GLY A 143 13.881 -6.287 -14.339 1.00 34.31 C ATOM 450 O GLY A 143 13.905 -6.597 -15.530 1.00 54.12 O ATOM 0 HA2 GLY A 143 12.392 -5.950 -12.839 1.00 13.54 H new ATOM 0 HA3 GLY A 143 13.174 -7.515 -12.736 1.00 13.54 H new ATOM 454 N VAL A 144 14.803 -5.515 -13.774 1.00 0.23 N ATOM 455 CA VAL A 144 15.922 -4.976 -14.538 1.00 14.10 C ATOM 456 C VAL A 144 17.231 -5.650 -14.145 1.00 3.12 C ATOM 457 O VAL A 144 17.732 -5.457 -13.037 1.00 62.44 O ATOM 458 CB VAL A 144 16.059 -3.455 -14.336 1.00 33.23 C ATOM 459 CG1 VAL A 144 17.109 -2.884 -15.275 1.00 45.14 C ATOM 460 CG2 VAL A 144 14.717 -2.768 -14.542 1.00 3.35 C ATOM 0 H VAL A 144 14.797 -5.248 -12.789 1.00 0.23 H new ATOM 0 HA VAL A 144 15.714 -5.178 -15.589 1.00 14.10 H new ATOM 0 HB VAL A 144 16.383 -3.269 -13.312 1.00 33.23 H new ATOM 0 HG11 VAL A 144 17.192 -1.809 -15.118 1.00 45.14 H new ATOM 0 HG12 VAL A 144 18.071 -3.355 -15.074 1.00 45.14 H new ATOM 0 HG13 VAL A 144 16.818 -3.078 -16.307 1.00 45.14 H new ATOM 0 HG21 VAL A 144 14.832 -1.694 -14.396 1.00 3.35 H new ATOM 0 HG22 VAL A 144 14.361 -2.960 -15.554 1.00 3.35 H new ATOM 0 HG23 VAL A 144 13.995 -3.157 -13.824 1.00 3.35 H new ATOM 470 N ALA A 145 17.781 -6.441 -15.060 1.00 44.12 N ATOM 471 CA ALA A 145 19.035 -7.142 -14.810 1.00 53.13 C ATOM 472 C ALA A 145 20.136 -6.169 -14.401 1.00 34.31 C ATOM 473 O ALA A 145 20.194 -5.039 -14.888 1.00 34.54 O ATOM 474 CB ALA A 145 19.454 -7.928 -16.043 1.00 64.52 C ATOM 0 H ALA A 145 17.378 -6.613 -15.981 1.00 44.12 H new ATOM 0 HA ALA A 145 18.876 -7.837 -13.986 1.00 53.13 H new ATOM 0 HB1 ALA A 145 20.392 -8.447 -15.843 1.00 64.52 H new ATOM 0 HB2 ALA A 145 18.682 -8.657 -16.290 1.00 64.52 H new ATOM 0 HB3 ALA A 145 19.589 -7.245 -16.881 1.00 64.52 H new ATOM 480 N THR A 146 21.008 -6.615 -13.502 1.00 43.52 N ATOM 481 CA THR A 146 22.106 -5.783 -13.026 1.00 3.02 C ATOM 482 C THR A 146 23.406 -6.124 -13.745 1.00 25.22 C ATOM 483 O THR A 146 24.206 -5.242 -14.055 1.00 12.02 O ATOM 484 CB THR A 146 22.315 -5.943 -11.508 1.00 71.31 C ATOM 485 OG1 THR A 146 22.929 -7.206 -11.229 1.00 31.43 O ATOM 486 CG2 THR A 146 20.991 -5.842 -10.766 1.00 73.12 C ATOM 0 H THR A 146 20.975 -7.547 -13.089 1.00 43.52 H new ATOM 0 HA THR A 146 21.835 -4.749 -13.241 1.00 3.02 H new ATOM 0 HB THR A 146 22.967 -5.139 -11.166 1.00 71.31 H new ATOM 0 HG1 THR A 146 23.205 -7.235 -10.289 1.00 31.43 H new ATOM 0 HG21 THR A 146 21.164 -5.958 -9.696 1.00 73.12 H new ATOM 0 HG22 THR A 146 20.540 -4.868 -10.957 1.00 73.12 H new ATOM 0 HG23 THR A 146 20.319 -6.627 -11.112 1.00 73.12 H new ATOM 494 N GLY A 147 23.612 -7.411 -14.008 1.00 73.33 N ATOM 495 CA GLY A 147 24.817 -7.846 -14.690 1.00 11.02 C ATOM 496 C GLY A 147 25.498 -9.001 -13.983 1.00 72.44 C ATOM 497 O GLY A 147 26.119 -9.850 -14.624 1.00 35.13 O ATOM 0 H GLY A 147 22.966 -8.160 -13.761 1.00 73.33 H new ATOM 0 HA2 GLY A 147 24.567 -8.144 -15.708 1.00 11.02 H new ATOM 0 HA3 GLY A 147 25.511 -7.009 -14.764 1.00 11.02 H new ATOM 501 N ARG A 148 25.383 -9.034 -12.660 1.00 4.33 N ATOM 502 CA ARG A 148 25.996 -10.092 -11.866 1.00 34.04 C ATOM 503 C ARG A 148 25.207 -11.392 -11.992 1.00 33.12 C ATOM 504 O ARG A 148 23.975 -11.388 -11.974 1.00 25.05 O ATOM 505 CB ARG A 148 26.078 -9.674 -10.396 1.00 42.44 C ATOM 506 CG ARG A 148 26.869 -8.395 -10.171 1.00 32.33 C ATOM 507 CD ARG A 148 28.312 -8.545 -10.625 1.00 62.51 C ATOM 508 NE ARG A 148 29.186 -7.549 -10.011 1.00 72.20 N ATOM 509 CZ ARG A 148 29.246 -6.282 -10.404 1.00 54.24 C ATOM 510 NH1 ARG A 148 28.486 -5.858 -11.405 1.00 64.45 N ATOM 511 NH2 ARG A 148 30.066 -5.435 -9.796 1.00 12.14 N ATOM 0 H ARG A 148 24.871 -8.340 -12.115 1.00 4.33 H new ATOM 0 HA ARG A 148 27.004 -10.259 -12.246 1.00 34.04 H new ATOM 0 HB2 ARG A 148 25.068 -9.540 -10.008 1.00 42.44 H new ATOM 0 HB3 ARG A 148 26.536 -10.480 -9.822 1.00 42.44 H new ATOM 0 HG2 ARG A 148 26.399 -7.575 -10.714 1.00 32.33 H new ATOM 0 HG3 ARG A 148 26.845 -8.132 -9.113 1.00 32.33 H new ATOM 0 HD2 ARG A 148 28.669 -9.544 -10.374 1.00 62.51 H new ATOM 0 HD3 ARG A 148 28.362 -8.452 -11.710 1.00 62.51 H new ATOM 0 HE ARG A 148 29.783 -7.843 -9.238 1.00 72.20 H new ATOM 0 HH11 ARG A 148 27.853 -6.506 -11.875 1.00 64.45 H new ATOM 0 HH12 ARG A 148 28.534 -4.884 -11.705 1.00 64.45 H new ATOM 0 HH21 ARG A 148 30.652 -5.757 -9.025 1.00 12.14 H new ATOM 0 HH22 ARG A 148 30.111 -4.462 -10.099 1.00 12.14 H new ATOM 525 N CYS A 149 25.924 -12.503 -12.120 1.00 60.23 N ATOM 526 CA CYS A 149 25.293 -13.811 -12.251 1.00 13.23 C ATOM 527 C CYS A 149 25.662 -14.713 -11.077 1.00 1.35 C ATOM 528 O CYS A 149 26.769 -14.635 -10.544 1.00 2.42 O ATOM 529 CB CYS A 149 25.708 -14.472 -13.566 1.00 61.13 C ATOM 530 SG CYS A 149 24.672 -15.892 -14.044 1.00 62.32 S ATOM 0 H CYS A 149 26.944 -12.524 -12.136 1.00 60.23 H new ATOM 0 HA CYS A 149 24.213 -13.667 -12.250 1.00 13.23 H new ATOM 0 HB2 CYS A 149 25.674 -13.727 -14.361 1.00 61.13 H new ATOM 0 HB3 CYS A 149 26.743 -14.803 -13.483 1.00 61.13 H new ATOM 535 N VAL A 150 24.727 -15.569 -10.678 1.00 72.21 N ATOM 536 CA VAL A 150 24.954 -16.487 -9.568 1.00 75.24 C ATOM 537 C VAL A 150 24.132 -17.761 -9.733 1.00 24.25 C ATOM 538 O VAL A 150 23.056 -17.763 -10.330 1.00 12.12 O ATOM 539 CB VAL A 150 24.603 -15.834 -8.219 1.00 15.44 C ATOM 540 CG1 VAL A 150 25.539 -14.671 -7.929 1.00 3.15 C ATOM 541 CG2 VAL A 150 23.152 -15.375 -8.210 1.00 60.32 C ATOM 0 H VAL A 150 23.805 -15.646 -11.107 1.00 72.21 H new ATOM 0 HA VAL A 150 26.015 -16.738 -9.576 1.00 75.24 H new ATOM 0 HB VAL A 150 24.730 -16.577 -7.432 1.00 15.44 H new ATOM 0 HG11 VAL A 150 25.275 -14.222 -6.971 1.00 3.15 H new ATOM 0 HG12 VAL A 150 26.567 -15.032 -7.890 1.00 3.15 H new ATOM 0 HG13 VAL A 150 25.447 -13.924 -8.718 1.00 3.15 H new ATOM 0 HG21 VAL A 150 22.922 -14.916 -7.249 1.00 60.32 H new ATOM 0 HG22 VAL A 150 22.996 -14.647 -9.006 1.00 60.32 H new ATOM 0 HG23 VAL A 150 22.498 -16.233 -8.368 1.00 60.32 H new ATOM 551 N PRO A 151 24.650 -18.873 -9.190 1.00 24.02 N ATOM 552 CA PRO A 151 23.981 -20.175 -9.262 1.00 31.11 C ATOM 553 C PRO A 151 22.720 -20.227 -8.406 1.00 1.12 C ATOM 554 O PRO A 151 22.766 -20.613 -7.238 1.00 23.13 O ATOM 555 CB PRO A 151 25.034 -21.146 -8.722 1.00 1.11 C ATOM 556 CG PRO A 151 25.901 -20.313 -7.841 1.00 73.35 C ATOM 557 CD PRO A 151 25.929 -18.944 -8.463 1.00 63.54 C ATOM 0 HA PRO A 151 23.648 -20.406 -10.274 1.00 31.11 H new ATOM 0 HB2 PRO A 151 24.572 -21.962 -8.166 1.00 1.11 H new ATOM 0 HB3 PRO A 151 25.609 -21.597 -9.531 1.00 1.11 H new ATOM 0 HG2 PRO A 151 25.503 -20.273 -6.827 1.00 73.35 H new ATOM 0 HG3 PRO A 151 26.905 -20.731 -7.773 1.00 73.35 H new ATOM 0 HD2 PRO A 151 26.006 -18.161 -7.708 1.00 63.54 H new ATOM 0 HD3 PRO A 151 26.780 -18.825 -9.134 1.00 63.54 H new ATOM 565 N PHE A 152 21.594 -19.836 -8.994 1.00 65.12 N ATOM 566 CA PHE A 152 20.320 -19.838 -8.285 1.00 5.43 C ATOM 567 C PHE A 152 20.021 -21.218 -7.708 1.00 72.21 C ATOM 568 O PHE A 152 19.819 -21.369 -6.504 1.00 72.00 O ATOM 569 CB PHE A 152 19.190 -19.408 -9.222 1.00 1.41 C ATOM 570 CG PHE A 152 17.907 -19.092 -8.508 1.00 10.51 C ATOM 571 CD1 PHE A 152 17.152 -20.101 -7.933 1.00 72.12 C ATOM 572 CD2 PHE A 152 17.456 -17.785 -8.411 1.00 3.10 C ATOM 573 CE1 PHE A 152 15.970 -19.813 -7.276 1.00 44.04 C ATOM 574 CE2 PHE A 152 16.276 -17.491 -7.755 1.00 12.30 C ATOM 575 CZ PHE A 152 15.532 -18.506 -7.186 1.00 65.11 C ATOM 0 H PHE A 152 21.538 -19.514 -9.960 1.00 65.12 H new ATOM 0 HA PHE A 152 20.390 -19.127 -7.462 1.00 5.43 H new ATOM 0 HB2 PHE A 152 19.509 -18.531 -9.784 1.00 1.41 H new ATOM 0 HB3 PHE A 152 19.007 -20.202 -9.946 1.00 1.41 H new ATOM 0 HD1 PHE A 152 17.491 -21.124 -7.999 1.00 72.12 H new ATOM 0 HD2 PHE A 152 18.034 -16.987 -8.853 1.00 3.10 H new ATOM 0 HE1 PHE A 152 15.390 -20.609 -6.834 1.00 44.04 H new ATOM 0 HE2 PHE A 152 15.936 -16.468 -7.687 1.00 12.30 H new ATOM 0 HZ PHE A 152 14.610 -18.278 -6.672 1.00 65.11 H new ATOM 585 N ASN A 153 19.993 -22.223 -8.578 1.00 3.12 N ATOM 586 CA ASN A 153 19.717 -23.591 -8.156 1.00 61.41 C ATOM 587 C ASN A 153 20.983 -24.442 -8.207 1.00 34.11 C ATOM 588 O ASN A 153 22.084 -23.923 -8.382 1.00 42.25 O ATOM 589 CB ASN A 153 18.636 -24.212 -9.043 1.00 70.11 C ATOM 590 CG ASN A 153 17.641 -25.038 -8.250 1.00 43.22 C ATOM 591 OD1 ASN A 153 17.496 -26.239 -8.475 1.00 62.41 O ATOM 592 ND2 ASN A 153 16.950 -24.395 -7.316 1.00 41.44 N ATOM 0 H ASN A 153 20.158 -22.115 -9.579 1.00 3.12 H new ATOM 0 HA ASN A 153 19.361 -23.562 -7.126 1.00 61.41 H new ATOM 0 HB2 ASN A 153 18.106 -23.421 -9.573 1.00 70.11 H new ATOM 0 HB3 ASN A 153 19.107 -24.842 -9.798 1.00 70.11 H new ATOM 0 HD21 ASN A 153 16.266 -24.898 -6.751 1.00 41.44 H new ATOM 0 HD22 ASN A 153 17.103 -23.398 -7.164 1.00 41.44 H new ATOM 599 N GLU A 154 20.815 -25.752 -8.052 1.00 43.14 N ATOM 600 CA GLU A 154 21.945 -26.674 -8.081 1.00 35.15 C ATOM 601 C GLU A 154 22.489 -26.825 -9.498 1.00 55.03 C ATOM 602 O GLU A 154 23.674 -26.605 -9.746 1.00 61.53 O ATOM 603 CB GLU A 154 21.529 -28.041 -7.534 1.00 33.32 C ATOM 604 CG GLU A 154 22.698 -28.892 -7.068 1.00 65.14 C ATOM 605 CD GLU A 154 22.255 -30.183 -6.408 1.00 73.01 C ATOM 606 OE1 GLU A 154 21.977 -30.161 -5.191 1.00 14.23 O ATOM 607 OE2 GLU A 154 22.186 -31.215 -7.108 1.00 14.21 O ATOM 0 H GLU A 154 19.909 -26.198 -7.905 1.00 43.14 H new ATOM 0 HA GLU A 154 22.733 -26.262 -7.451 1.00 35.15 H new ATOM 0 HB2 GLU A 154 20.842 -27.895 -6.701 1.00 33.32 H new ATOM 0 HB3 GLU A 154 20.983 -28.581 -8.307 1.00 33.32 H new ATOM 0 HG2 GLU A 154 23.335 -29.125 -7.921 1.00 65.14 H new ATOM 0 HG3 GLU A 154 23.303 -28.318 -6.365 1.00 65.14 H new ATOM 614 N SER A 155 21.613 -27.202 -10.425 1.00 1.13 N ATOM 615 CA SER A 155 22.005 -27.387 -11.817 1.00 4.11 C ATOM 616 C SER A 155 21.479 -26.248 -12.686 1.00 31.45 C ATOM 617 O SER A 155 21.256 -26.419 -13.884 1.00 52.32 O ATOM 618 CB SER A 155 21.485 -28.726 -12.342 1.00 22.53 C ATOM 619 OG SER A 155 22.074 -29.811 -11.645 1.00 4.30 O ATOM 0 H SER A 155 20.627 -27.385 -10.237 1.00 1.13 H new ATOM 0 HA SER A 155 23.094 -27.384 -11.865 1.00 4.11 H new ATOM 0 HB2 SER A 155 20.401 -28.766 -12.234 1.00 22.53 H new ATOM 0 HB3 SER A 155 21.703 -28.812 -13.406 1.00 22.53 H new ATOM 0 HG SER A 155 21.724 -30.655 -11.998 1.00 4.30 H new ATOM 625 N VAL A 156 21.282 -25.086 -12.071 1.00 64.03 N ATOM 626 CA VAL A 156 20.783 -23.918 -12.787 1.00 42.01 C ATOM 627 C VAL A 156 21.411 -22.636 -12.252 1.00 14.24 C ATOM 628 O VAL A 156 21.781 -22.555 -11.080 1.00 43.44 O ATOM 629 CB VAL A 156 19.250 -23.809 -12.683 1.00 44.31 C ATOM 630 CG1 VAL A 156 18.728 -22.721 -13.609 1.00 44.40 C ATOM 631 CG2 VAL A 156 18.599 -25.147 -12.999 1.00 13.43 C ATOM 0 H VAL A 156 21.460 -24.929 -11.079 1.00 64.03 H new ATOM 0 HA VAL A 156 21.060 -24.045 -13.833 1.00 42.01 H new ATOM 0 HB VAL A 156 18.991 -23.537 -11.660 1.00 44.31 H new ATOM 0 HG11 VAL A 156 17.643 -22.659 -13.522 1.00 44.40 H new ATOM 0 HG12 VAL A 156 19.170 -21.764 -13.331 1.00 44.40 H new ATOM 0 HG13 VAL A 156 18.996 -22.960 -14.638 1.00 44.40 H new ATOM 0 HG21 VAL A 156 17.516 -25.052 -12.921 1.00 13.43 H new ATOM 0 HG22 VAL A 156 18.865 -25.451 -14.012 1.00 13.43 H new ATOM 0 HG23 VAL A 156 18.949 -25.898 -12.291 1.00 13.43 H new ATOM 641 N LYS A 157 21.527 -21.634 -13.117 1.00 74.30 N ATOM 642 CA LYS A 157 22.108 -20.353 -12.732 1.00 75.53 C ATOM 643 C LYS A 157 21.328 -19.196 -13.347 1.00 54.32 C ATOM 644 O LYS A 157 20.911 -19.259 -14.504 1.00 51.34 O ATOM 645 CB LYS A 157 23.573 -20.283 -13.168 1.00 30.42 C ATOM 646 CG LYS A 157 23.776 -20.498 -14.658 1.00 13.33 C ATOM 647 CD LYS A 157 25.243 -20.397 -15.041 1.00 55.21 C ATOM 648 CE LYS A 157 25.976 -21.706 -14.790 1.00 14.41 C ATOM 649 NZ LYS A 157 27.410 -21.622 -15.181 1.00 1.35 N ATOM 0 H LYS A 157 21.226 -21.684 -14.090 1.00 74.30 H new ATOM 0 HA LYS A 157 22.054 -20.269 -11.647 1.00 75.53 H new ATOM 0 HB2 LYS A 157 23.979 -19.310 -12.891 1.00 30.42 H new ATOM 0 HB3 LYS A 157 24.142 -21.034 -12.620 1.00 30.42 H new ATOM 0 HG2 LYS A 157 23.392 -21.478 -14.941 1.00 13.33 H new ATOM 0 HG3 LYS A 157 23.202 -19.758 -15.215 1.00 13.33 H new ATOM 0 HD2 LYS A 157 25.328 -20.128 -16.094 1.00 55.21 H new ATOM 0 HD3 LYS A 157 25.715 -19.599 -14.469 1.00 55.21 H new ATOM 0 HE2 LYS A 157 25.902 -21.967 -13.734 1.00 14.41 H new ATOM 0 HE3 LYS A 157 25.493 -22.506 -15.351 1.00 14.41 H new ATOM 0 HZ1 LYS A 157 27.875 -22.534 -14.995 1.00 1.35 H new ATOM 0 HZ2 LYS A 157 27.481 -21.398 -16.194 1.00 1.35 H new ATOM 0 HZ3 LYS A 157 27.878 -20.876 -14.628 1.00 1.35 H new ATOM 663 N THR A 158 21.134 -18.137 -12.566 1.00 62.32 N ATOM 664 CA THR A 158 20.405 -16.965 -13.034 1.00 30.41 C ATOM 665 C THR A 158 21.200 -15.688 -12.788 1.00 65.50 C ATOM 666 O THR A 158 22.263 -15.717 -12.166 1.00 14.45 O ATOM 667 CB THR A 158 19.034 -16.844 -12.342 1.00 50.23 C ATOM 668 OG1 THR A 158 19.211 -16.575 -10.947 1.00 43.21 O ATOM 669 CG2 THR A 158 18.224 -18.119 -12.519 1.00 73.11 C ATOM 0 H THR A 158 21.472 -18.068 -11.606 1.00 62.32 H new ATOM 0 HA THR A 158 20.253 -17.094 -14.106 1.00 30.41 H new ATOM 0 HB THR A 158 18.490 -16.020 -12.804 1.00 50.23 H new ATOM 0 HG1 THR A 158 18.399 -16.159 -10.588 1.00 43.21 H new ATOM 0 HG21 THR A 158 17.260 -18.010 -12.022 1.00 73.11 H new ATOM 0 HG22 THR A 158 18.065 -18.305 -13.581 1.00 73.11 H new ATOM 0 HG23 THR A 158 18.765 -18.958 -12.081 1.00 73.11 H new ATOM 677 N CYS A 159 20.680 -14.569 -13.280 1.00 4.13 N ATOM 678 CA CYS A 159 21.342 -13.280 -13.113 1.00 73.44 C ATOM 679 C CYS A 159 20.544 -12.377 -12.177 1.00 43.45 C ATOM 680 O CYS A 159 19.335 -12.541 -12.022 1.00 11.02 O ATOM 681 CB CYS A 159 21.521 -12.597 -14.470 1.00 40.33 C ATOM 682 SG CYS A 159 23.256 -12.451 -15.006 1.00 1.53 S ATOM 0 H CYS A 159 19.802 -14.528 -13.798 1.00 4.13 H new ATOM 0 HA CYS A 159 22.322 -13.456 -12.670 1.00 73.44 H new ATOM 0 HB2 CYS A 159 20.965 -13.157 -15.222 1.00 40.33 H new ATOM 0 HB3 CYS A 159 21.081 -11.601 -14.424 1.00 40.33 H new ATOM 687 N GLU A 160 21.232 -11.422 -11.558 1.00 34.35 N ATOM 688 CA GLU A 160 20.587 -10.493 -10.637 1.00 22.11 C ATOM 689 C GLU A 160 19.727 -9.486 -11.394 1.00 55.11 C ATOM 690 O GLU A 160 20.115 -8.992 -12.453 1.00 30.41 O ATOM 691 CB GLU A 160 21.637 -9.757 -9.802 1.00 22.32 C ATOM 692 CG GLU A 160 21.054 -8.684 -8.899 1.00 14.42 C ATOM 693 CD GLU A 160 20.220 -9.260 -7.770 1.00 44.25 C ATOM 694 OE1 GLU A 160 20.042 -10.495 -7.735 1.00 31.11 O ATOM 695 OE2 GLU A 160 19.747 -8.474 -6.923 1.00 21.45 O ATOM 0 H GLU A 160 22.234 -11.272 -11.677 1.00 34.35 H new ATOM 0 HA GLU A 160 19.942 -11.069 -9.973 1.00 22.11 H new ATOM 0 HB2 GLU A 160 22.176 -10.481 -9.191 1.00 22.32 H new ATOM 0 HB3 GLU A 160 22.366 -9.300 -10.471 1.00 22.32 H new ATOM 0 HG2 GLU A 160 21.864 -8.088 -8.479 1.00 14.42 H new ATOM 0 HG3 GLU A 160 20.437 -8.010 -9.494 1.00 14.42 H new ATOM 702 N VAL A 161 18.554 -9.186 -10.844 1.00 4.25 N ATOM 703 CA VAL A 161 17.638 -8.237 -11.465 1.00 60.54 C ATOM 704 C VAL A 161 16.983 -7.340 -10.421 1.00 61.51 C ATOM 705 O VAL A 161 17.089 -7.589 -9.221 1.00 35.25 O ATOM 706 CB VAL A 161 16.539 -8.961 -12.266 1.00 63.41 C ATOM 707 CG1 VAL A 161 17.141 -9.698 -13.453 1.00 51.45 C ATOM 708 CG2 VAL A 161 15.770 -9.919 -11.369 1.00 10.03 C ATOM 0 H VAL A 161 18.216 -9.587 -9.969 1.00 4.25 H new ATOM 0 HA VAL A 161 18.230 -7.624 -12.145 1.00 60.54 H new ATOM 0 HB VAL A 161 15.841 -8.216 -12.647 1.00 63.41 H new ATOM 0 HG11 VAL A 161 16.350 -10.203 -14.007 1.00 51.45 H new ATOM 0 HG12 VAL A 161 17.644 -8.985 -14.107 1.00 51.45 H new ATOM 0 HG13 VAL A 161 17.862 -10.434 -13.097 1.00 51.45 H new ATOM 0 HG21 VAL A 161 14.998 -10.422 -11.951 1.00 10.03 H new ATOM 0 HG22 VAL A 161 16.455 -10.661 -10.957 1.00 10.03 H new ATOM 0 HG23 VAL A 161 15.306 -9.362 -10.555 1.00 10.03 H new ATOM 718 N ALA A 162 16.306 -6.296 -10.887 1.00 30.10 N ATOM 719 CA ALA A 162 15.631 -5.363 -9.993 1.00 42.14 C ATOM 720 C ALA A 162 14.119 -5.419 -10.181 1.00 50.25 C ATOM 721 O ALA A 162 13.591 -4.939 -11.184 1.00 14.11 O ATOM 722 CB ALA A 162 16.142 -3.948 -10.224 1.00 72.33 C ATOM 0 H ALA A 162 16.210 -6.075 -11.878 1.00 30.10 H new ATOM 0 HA ALA A 162 15.854 -5.655 -8.967 1.00 42.14 H new ATOM 0 HB1 ALA A 162 15.630 -3.262 -9.550 1.00 72.33 H new ATOM 0 HB2 ALA A 162 17.214 -3.912 -10.032 1.00 72.33 H new ATOM 0 HB3 ALA A 162 15.949 -3.655 -11.256 1.00 72.33 H new ATOM 728 N ALA A 163 13.428 -6.008 -9.211 1.00 61.22 N ATOM 729 CA ALA A 163 11.976 -6.125 -9.270 1.00 24.51 C ATOM 730 C ALA A 163 11.374 -6.188 -7.870 1.00 53.25 C ATOM 731 O ALA A 163 12.083 -6.055 -6.873 1.00 33.41 O ATOM 732 CB ALA A 163 11.578 -7.355 -10.073 1.00 42.43 C ATOM 0 H ALA A 163 13.850 -6.412 -8.375 1.00 61.22 H new ATOM 0 HA ALA A 163 11.584 -5.238 -9.767 1.00 24.51 H new ATOM 0 HB1 ALA A 163 10.491 -7.430 -10.109 1.00 42.43 H new ATOM 0 HB2 ALA A 163 11.970 -7.270 -11.087 1.00 42.43 H new ATOM 0 HB3 ALA A 163 11.988 -8.247 -9.599 1.00 42.43 H new ATOM 738 N TRP A 164 10.063 -6.389 -7.805 1.00 33.12 N ATOM 739 CA TRP A 164 9.365 -6.468 -6.526 1.00 71.14 C ATOM 740 C TRP A 164 9.360 -7.898 -5.997 1.00 15.35 C ATOM 741 O TRP A 164 8.619 -8.750 -6.489 1.00 3.05 O ATOM 742 CB TRP A 164 7.930 -5.960 -6.673 1.00 73.03 C ATOM 743 CG TRP A 164 7.191 -5.883 -5.372 1.00 35.54 C ATOM 744 CD1 TRP A 164 6.064 -6.575 -5.027 1.00 2.41 C ATOM 745 CD2 TRP A 164 7.525 -5.069 -4.243 1.00 0.31 C ATOM 746 NE1 TRP A 164 5.678 -6.238 -3.752 1.00 23.43 N ATOM 747 CE2 TRP A 164 6.558 -5.317 -3.249 1.00 25.23 C ATOM 748 CE3 TRP A 164 8.548 -4.155 -3.974 1.00 72.23 C ATOM 749 CZ2 TRP A 164 6.586 -4.684 -2.009 1.00 41.32 C ATOM 750 CZ3 TRP A 164 8.574 -3.527 -2.744 1.00 33.03 C ATOM 751 CH2 TRP A 164 7.599 -3.794 -1.773 1.00 53.14 C ATOM 0 H TRP A 164 9.462 -6.500 -8.622 1.00 33.12 H new ATOM 0 HA TRP A 164 9.894 -5.838 -5.811 1.00 71.14 H new ATOM 0 HB2 TRP A 164 7.947 -4.971 -7.132 1.00 73.03 H new ATOM 0 HB3 TRP A 164 7.387 -6.617 -7.352 1.00 73.03 H new ATOM 0 HD1 TRP A 164 5.552 -7.282 -5.663 1.00 2.41 H new ATOM 0 HE1 TRP A 164 4.867 -6.613 -3.260 1.00 23.43 H new ATOM 0 HE3 TRP A 164 9.305 -3.944 -4.715 1.00 72.23 H new ATOM 0 HZ2 TRP A 164 5.835 -4.888 -1.260 1.00 41.32 H new ATOM 0 HZ3 TRP A 164 9.359 -2.818 -2.527 1.00 33.03 H new ATOM 0 HH2 TRP A 164 7.648 -3.288 -0.820 1.00 53.14 H new ATOM 762 N CYS A 165 10.189 -8.154 -4.991 1.00 30.44 N ATOM 763 CA CYS A 165 10.280 -9.481 -4.394 1.00 21.33 C ATOM 764 C CYS A 165 10.415 -9.387 -2.877 1.00 32.25 C ATOM 765 O CYS A 165 10.852 -8.375 -2.329 1.00 22.02 O ATOM 766 CB CYS A 165 11.471 -10.245 -4.976 1.00 3.30 C ATOM 767 SG CYS A 165 13.006 -9.268 -5.071 1.00 0.14 S ATOM 0 H CYS A 165 10.808 -7.460 -4.572 1.00 30.44 H new ATOM 0 HA CYS A 165 9.362 -10.020 -4.627 1.00 21.33 H new ATOM 0 HB2 CYS A 165 11.654 -11.131 -4.367 1.00 3.30 H new ATOM 0 HB3 CYS A 165 11.212 -10.593 -5.976 1.00 3.30 H new