USER MOD reduce.3.24.130724 H: found=0, std=0, add=300, rem=0, adj=10 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 Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 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 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= -0.192 X(o=-0.19,f=0) USER MOD Single : A 128 SER OG : rot 180:sc= -0.6 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 THR OG1 : rot -59:sc= -0.637 USER MOD Single : A 153 ASN : amide:sc= -0.592 K(o=-0.59,f=-2.5!) USER MOD Single : A 155 SER OG : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ -122:sc= -0.23 (180deg=-1.84!) USER MOD Single : A 158 THR OG1 : rot 154:sc= 0.476 USER MOD ----------------------------------------------------------------- ATOM 49 N GLN A 113 10.574 -1.400 -6.043 1.00 72.41 N ATOM 50 CA GLN A 113 11.588 -1.981 -6.915 1.00 25.15 C ATOM 51 C GLN A 113 12.872 -2.267 -6.141 1.00 54.41 C ATOM 52 O GLN A 113 13.602 -1.348 -5.771 1.00 44.22 O ATOM 53 CB GLN A 113 11.883 -1.042 -8.086 1.00 20.33 C ATOM 54 CG GLN A 113 12.622 -1.713 -9.232 1.00 64.11 C ATOM 55 CD GLN A 113 13.036 -0.733 -10.312 1.00 61.44 C ATOM 56 OE1 GLN A 113 12.473 -0.724 -11.407 1.00 74.32 O ATOM 57 NE2 GLN A 113 14.026 0.099 -10.010 1.00 34.11 N ATOM 0 HA GLN A 113 11.201 -2.923 -7.303 1.00 25.15 H new ATOM 0 HB2 GLN A 113 10.944 -0.634 -8.460 1.00 20.33 H new ATOM 0 HB3 GLN A 113 12.475 -0.201 -7.726 1.00 20.33 H new ATOM 0 HG2 GLN A 113 13.508 -2.215 -8.843 1.00 64.11 H new ATOM 0 HG3 GLN A 113 11.985 -2.482 -9.669 1.00 64.11 H new ATOM 0 HE21 GLN A 113 14.465 0.057 -9.090 1.00 34.11 H new ATOM 0 HE22 GLN A 113 14.348 0.780 -10.698 1.00 34.11 H new ATOM 66 N SER A 114 13.139 -3.546 -5.900 1.00 20.03 N ATOM 67 CA SER A 114 14.332 -3.952 -5.166 1.00 61.44 C ATOM 68 C SER A 114 15.277 -4.746 -6.063 1.00 61.14 C ATOM 69 O SER A 114 14.938 -5.085 -7.198 1.00 1.12 O ATOM 70 CB SER A 114 13.946 -4.790 -3.946 1.00 14.12 C ATOM 71 OG SER A 114 12.906 -4.169 -3.209 1.00 44.24 O ATOM 0 H SER A 114 12.546 -4.319 -6.202 1.00 20.03 H new ATOM 0 HA SER A 114 14.846 -3.051 -4.831 1.00 61.44 H new ATOM 0 HB2 SER A 114 13.626 -5.781 -4.268 1.00 14.12 H new ATOM 0 HB3 SER A 114 14.817 -4.929 -3.306 1.00 14.12 H new ATOM 0 HG SER A 114 12.676 -4.725 -2.435 1.00 44.24 H new ATOM 77 N THR A 115 16.466 -5.040 -5.547 1.00 22.25 N ATOM 78 CA THR A 115 17.462 -5.793 -6.299 1.00 52.42 C ATOM 79 C THR A 115 17.529 -7.241 -5.828 1.00 12.33 C ATOM 80 O THR A 115 17.434 -7.520 -4.632 1.00 70.12 O ATOM 81 CB THR A 115 18.860 -5.158 -6.172 1.00 73.12 C ATOM 82 OG1 THR A 115 19.790 -5.851 -7.011 1.00 43.15 O ATOM 83 CG2 THR A 115 19.343 -5.197 -4.730 1.00 72.42 C ATOM 0 H THR A 115 16.763 -4.768 -4.610 1.00 22.25 H new ATOM 0 HA THR A 115 17.153 -5.768 -7.344 1.00 52.42 H new ATOM 0 HB THR A 115 18.792 -4.117 -6.487 1.00 73.12 H new ATOM 0 HG1 THR A 115 20.676 -5.441 -6.926 1.00 43.15 H new ATOM 0 HG21 THR A 115 20.332 -4.743 -4.665 1.00 72.42 H new ATOM 0 HG22 THR A 115 18.648 -4.644 -4.098 1.00 72.42 H new ATOM 0 HG23 THR A 115 19.396 -6.232 -4.392 1.00 72.42 H new ATOM 91 N CYS A 116 17.693 -8.159 -6.774 1.00 24.12 N ATOM 92 CA CYS A 116 17.773 -9.580 -6.456 1.00 5.53 C ATOM 93 C CYS A 116 17.972 -10.410 -7.721 1.00 12.15 C ATOM 94 O CYS A 116 17.640 -9.988 -8.828 1.00 74.15 O ATOM 95 CB CYS A 116 16.506 -10.033 -5.728 1.00 42.03 C ATOM 96 SG CYS A 116 14.961 -9.425 -6.477 1.00 40.43 S ATOM 0 H CYS A 116 17.773 -7.944 -7.768 1.00 24.12 H new ATOM 0 HA CYS A 116 18.633 -9.733 -5.804 1.00 5.53 H new ATOM 0 HB2 CYS A 116 16.482 -11.123 -5.706 1.00 42.03 H new ATOM 0 HB3 CYS A 116 16.554 -9.694 -4.693 1.00 42.03 H new ATOM 101 N PRO A 117 18.526 -11.620 -7.553 1.00 44.31 N ATOM 102 CA PRO A 117 18.781 -12.535 -8.669 1.00 71.23 C ATOM 103 C PRO A 117 17.494 -13.099 -9.262 1.00 12.12 C ATOM 104 O PRO A 117 16.647 -13.625 -8.541 1.00 13.54 O ATOM 105 CB PRO A 117 19.609 -13.652 -8.030 1.00 64.30 C ATOM 106 CG PRO A 117 19.232 -13.627 -6.589 1.00 52.21 C ATOM 107 CD PRO A 117 18.947 -12.187 -6.261 1.00 60.21 C ATOM 0 HA PRO A 117 19.282 -12.036 -9.499 1.00 71.23 H new ATOM 0 HB2 PRO A 117 19.385 -14.619 -8.481 1.00 64.30 H new ATOM 0 HB3 PRO A 117 20.677 -13.479 -8.163 1.00 64.30 H new ATOM 0 HG2 PRO A 117 18.357 -14.250 -6.404 1.00 52.21 H new ATOM 0 HG3 PRO A 117 20.038 -14.017 -5.968 1.00 52.21 H new ATOM 0 HD2 PRO A 117 18.165 -12.094 -5.507 1.00 60.21 H new ATOM 0 HD3 PRO A 117 19.830 -11.682 -5.869 1.00 60.21 H new ATOM 115 N GLU A 118 17.355 -12.986 -10.579 1.00 52.20 N ATOM 116 CA GLU A 118 16.170 -13.485 -11.267 1.00 52.40 C ATOM 117 C GLU A 118 15.901 -14.941 -10.901 1.00 31.42 C ATOM 118 O GLU A 118 16.791 -15.648 -10.427 1.00 4.43 O ATOM 119 CB GLU A 118 16.338 -13.351 -12.782 1.00 3.11 C ATOM 120 CG GLU A 118 15.058 -13.599 -13.561 1.00 74.10 C ATOM 121 CD GLU A 118 13.876 -12.831 -13.002 1.00 2.44 C ATOM 122 OE1 GLU A 118 13.998 -11.600 -12.829 1.00 50.53 O ATOM 123 OE2 GLU A 118 12.831 -13.459 -12.736 1.00 33.30 O ATOM 0 H GLU A 118 18.048 -12.554 -11.191 1.00 52.20 H new ATOM 0 HA GLU A 118 15.317 -12.885 -10.949 1.00 52.40 H new ATOM 0 HB2 GLU A 118 16.705 -12.350 -13.011 1.00 3.11 H new ATOM 0 HB3 GLU A 118 17.100 -14.054 -13.118 1.00 3.11 H new ATOM 0 HG2 GLU A 118 15.210 -13.316 -14.603 1.00 74.10 H new ATOM 0 HG3 GLU A 118 14.832 -14.665 -13.550 1.00 74.10 H new ATOM 130 N ILE A 119 14.668 -15.383 -11.124 1.00 32.35 N ATOM 131 CA ILE A 119 14.282 -16.755 -10.818 1.00 34.12 C ATOM 132 C ILE A 119 14.653 -17.698 -11.957 1.00 43.22 C ATOM 133 O ILE A 119 14.389 -17.430 -13.129 1.00 55.23 O ATOM 134 CB ILE A 119 12.770 -16.867 -10.546 1.00 73.13 C ATOM 135 CG1 ILE A 119 12.362 -15.926 -9.411 1.00 1.20 C ATOM 136 CG2 ILE A 119 12.397 -18.303 -10.211 1.00 31.44 C ATOM 137 CD1 ILE A 119 10.886 -15.976 -9.085 1.00 52.23 C ATOM 0 H ILE A 119 13.919 -14.811 -11.515 1.00 32.35 H new ATOM 0 HA ILE A 119 14.827 -17.043 -9.919 1.00 34.12 H new ATOM 0 HB ILE A 119 12.231 -16.573 -11.447 1.00 73.13 H new ATOM 0 HG12 ILE A 119 12.932 -16.180 -8.517 1.00 1.20 H new ATOM 0 HG13 ILE A 119 12.632 -14.905 -9.682 1.00 1.20 H new ATOM 0 HG21 ILE A 119 11.325 -18.366 -10.021 1.00 31.44 H new ATOM 0 HG22 ILE A 119 12.656 -18.951 -11.048 1.00 31.44 H new ATOM 0 HG23 ILE A 119 12.942 -18.623 -9.323 1.00 31.44 H new ATOM 0 HD11 ILE A 119 10.669 -15.284 -8.271 1.00 52.23 H new ATOM 0 HD12 ILE A 119 10.309 -15.693 -9.966 1.00 52.23 H new ATOM 0 HD13 ILE A 119 10.614 -16.987 -8.783 1.00 52.23 H new ATOM 149 N PRO A 120 15.281 -18.830 -11.607 1.00 73.52 N ATOM 150 CA PRO A 120 15.700 -19.838 -12.586 1.00 4.11 C ATOM 151 C PRO A 120 14.516 -20.570 -13.208 1.00 24.41 C ATOM 152 O PRO A 120 13.678 -21.129 -12.500 1.00 2.22 O ATOM 153 CB PRO A 120 16.552 -20.804 -11.758 1.00 53.20 C ATOM 154 CG PRO A 120 16.049 -20.653 -10.364 1.00 15.30 C ATOM 155 CD PRO A 120 15.628 -19.215 -10.229 1.00 23.21 C ATOM 0 HA PRO A 120 16.232 -19.393 -13.427 1.00 4.11 H new ATOM 0 HB2 PRO A 120 16.442 -21.830 -12.110 1.00 53.20 H new ATOM 0 HB3 PRO A 120 17.611 -20.556 -11.826 1.00 53.20 H new ATOM 0 HG2 PRO A 120 15.211 -21.324 -10.177 1.00 15.30 H new ATOM 0 HG3 PRO A 120 16.825 -20.902 -9.640 1.00 15.30 H new ATOM 0 HD2 PRO A 120 14.778 -19.107 -9.555 1.00 23.21 H new ATOM 0 HD3 PRO A 120 16.432 -18.597 -9.829 1.00 23.21 H new ATOM 163 N ASP A 121 14.454 -20.565 -14.535 1.00 10.42 N ATOM 164 CA ASP A 121 13.373 -21.230 -15.252 1.00 72.13 C ATOM 165 C ASP A 121 13.917 -22.042 -16.423 1.00 61.43 C ATOM 166 O ASP A 121 15.094 -21.940 -16.771 1.00 12.23 O ATOM 167 CB ASP A 121 12.358 -20.203 -15.756 1.00 40.31 C ATOM 168 CG ASP A 121 11.399 -19.756 -14.670 1.00 73.15 C ATOM 169 OD1 ASP A 121 10.798 -20.631 -14.013 1.00 61.52 O ATOM 170 OD2 ASP A 121 11.248 -18.531 -14.479 1.00 32.13 O ATOM 0 H ASP A 121 15.140 -20.108 -15.136 1.00 10.42 H new ATOM 0 HA ASP A 121 12.876 -21.910 -14.560 1.00 72.13 H new ATOM 0 HB2 ASP A 121 12.888 -19.335 -16.149 1.00 40.31 H new ATOM 0 HB3 ASP A 121 11.792 -20.632 -16.583 1.00 40.31 H new ATOM 175 N LYS A 122 13.053 -22.851 -17.028 1.00 43.32 N ATOM 176 CA LYS A 122 13.446 -23.681 -18.160 1.00 73.35 C ATOM 177 C LYS A 122 13.442 -22.874 -19.455 1.00 5.25 C ATOM 178 O LYS A 122 13.859 -23.363 -20.505 1.00 54.14 O ATOM 179 CB LYS A 122 12.502 -24.879 -18.292 1.00 23.10 C ATOM 180 CG LYS A 122 12.930 -26.083 -17.471 1.00 21.21 C ATOM 181 CD LYS A 122 12.145 -27.326 -17.853 1.00 73.55 C ATOM 182 CE LYS A 122 12.262 -28.409 -16.791 1.00 44.23 C ATOM 183 NZ LYS A 122 11.254 -28.236 -15.709 1.00 3.30 N ATOM 0 H LYS A 122 12.076 -22.949 -16.753 1.00 43.32 H new ATOM 0 HA LYS A 122 14.459 -24.041 -17.980 1.00 73.35 H new ATOM 0 HB2 LYS A 122 11.501 -24.578 -17.985 1.00 23.10 H new ATOM 0 HB3 LYS A 122 12.440 -25.168 -19.341 1.00 23.10 H new ATOM 0 HG2 LYS A 122 13.995 -26.265 -17.618 1.00 21.21 H new ATOM 0 HG3 LYS A 122 12.786 -25.872 -16.411 1.00 21.21 H new ATOM 0 HD2 LYS A 122 11.096 -27.066 -17.994 1.00 73.55 H new ATOM 0 HD3 LYS A 122 12.510 -27.709 -18.806 1.00 73.55 H new ATOM 0 HE2 LYS A 122 12.133 -29.387 -17.254 1.00 44.23 H new ATOM 0 HE3 LYS A 122 13.263 -28.389 -16.361 1.00 44.23 H new ATOM 0 HZ1 LYS A 122 11.367 -28.993 -15.005 1.00 3.30 H new ATOM 0 HZ2 LYS A 122 11.393 -27.313 -15.250 1.00 3.30 H new ATOM 0 HZ3 LYS A 122 10.298 -28.280 -16.115 1.00 3.30 H new ATOM 197 N THR A 123 12.972 -21.633 -19.372 1.00 34.33 N ATOM 198 CA THR A 123 12.915 -20.758 -20.536 1.00 13.04 C ATOM 199 C THR A 123 13.780 -19.519 -20.335 1.00 23.41 C ATOM 200 O THR A 123 14.231 -18.902 -21.300 1.00 30.30 O ATOM 201 CB THR A 123 11.470 -20.317 -20.837 1.00 71.30 C ATOM 202 OG1 THR A 123 10.782 -20.024 -19.616 1.00 22.13 O ATOM 203 CG2 THR A 123 10.721 -21.401 -21.599 1.00 5.41 C ATOM 0 H THR A 123 12.625 -21.212 -18.510 1.00 34.33 H new ATOM 0 HA THR A 123 13.296 -21.331 -21.381 1.00 13.04 H new ATOM 0 HB THR A 123 11.509 -19.420 -21.455 1.00 71.30 H new ATOM 0 HG1 THR A 123 9.865 -19.743 -19.817 1.00 22.13 H new ATOM 0 HG21 THR A 123 9.703 -21.067 -21.800 1.00 5.41 H new ATOM 0 HG22 THR A 123 11.230 -21.601 -22.542 1.00 5.41 H new ATOM 0 HG23 THR A 123 10.692 -22.312 -21.001 1.00 5.41 H new ATOM 211 N SER A 124 14.010 -19.161 -19.076 1.00 33.14 N ATOM 212 CA SER A 124 14.820 -17.993 -18.749 1.00 35.35 C ATOM 213 C SER A 124 16.119 -18.408 -18.066 1.00 4.33 C ATOM 214 O SER A 124 16.112 -18.886 -16.931 1.00 60.21 O ATOM 215 CB SER A 124 14.036 -17.040 -17.844 1.00 22.43 C ATOM 216 OG SER A 124 14.489 -15.706 -17.995 1.00 55.02 O ATOM 0 H SER A 124 13.647 -19.663 -18.266 1.00 33.14 H new ATOM 0 HA SER A 124 15.066 -17.480 -19.678 1.00 35.35 H new ATOM 0 HB2 SER A 124 12.974 -17.096 -18.084 1.00 22.43 H new ATOM 0 HB3 SER A 124 14.145 -17.349 -16.804 1.00 22.43 H new ATOM 0 HG SER A 124 13.971 -15.116 -17.408 1.00 55.02 H new ATOM 222 N ILE A 125 17.233 -18.220 -18.765 1.00 65.42 N ATOM 223 CA ILE A 125 18.541 -18.573 -18.227 1.00 63.40 C ATOM 224 C ILE A 125 19.481 -17.373 -18.235 1.00 44.24 C ATOM 225 O ILE A 125 19.258 -16.400 -18.957 1.00 32.23 O ATOM 226 CB ILE A 125 19.187 -19.722 -19.024 1.00 72.22 C ATOM 227 CG1 ILE A 125 18.107 -20.619 -19.634 1.00 0.32 C ATOM 228 CG2 ILE A 125 20.113 -20.533 -18.130 1.00 11.43 C ATOM 229 CD1 ILE A 125 17.194 -21.250 -18.606 1.00 3.32 C ATOM 0 H ILE A 125 17.256 -17.825 -19.705 1.00 65.42 H new ATOM 0 HA ILE A 125 18.381 -18.900 -17.199 1.00 63.40 H new ATOM 0 HB ILE A 125 19.779 -19.294 -19.834 1.00 72.22 H new ATOM 0 HG12 ILE A 125 17.507 -20.031 -20.328 1.00 0.32 H new ATOM 0 HG13 ILE A 125 18.586 -21.407 -20.215 1.00 0.32 H new ATOM 0 HG21 ILE A 125 20.561 -21.341 -18.708 1.00 11.43 H new ATOM 0 HG22 ILE A 125 20.899 -19.887 -17.739 1.00 11.43 H new ATOM 0 HG23 ILE A 125 19.543 -20.953 -17.301 1.00 11.43 H new ATOM 0 HD11 ILE A 125 16.454 -21.872 -19.110 1.00 3.32 H new ATOM 0 HD12 ILE A 125 17.783 -21.866 -17.926 1.00 3.32 H new ATOM 0 HD13 ILE A 125 16.687 -20.468 -18.041 1.00 3.32 H new ATOM 241 N CYS A 126 20.536 -17.448 -17.430 1.00 34.21 N ATOM 242 CA CYS A 126 21.512 -16.369 -17.344 1.00 70.04 C ATOM 243 C CYS A 126 22.828 -16.773 -18.002 1.00 25.22 C ATOM 244 O CYS A 126 23.231 -17.934 -17.946 1.00 71.40 O ATOM 245 CB CYS A 126 21.755 -15.988 -15.883 1.00 1.42 C ATOM 246 SG CYS A 126 23.081 -14.762 -15.645 1.00 44.40 S ATOM 0 H CYS A 126 20.736 -18.246 -16.827 1.00 34.21 H new ATOM 0 HA CYS A 126 21.110 -15.506 -17.875 1.00 70.04 H new ATOM 0 HB2 CYS A 126 20.830 -15.593 -15.463 1.00 1.42 H new ATOM 0 HB3 CYS A 126 22.002 -16.888 -15.320 1.00 1.42 H new ATOM 251 N ASN A 127 23.494 -15.806 -18.624 1.00 4.21 N ATOM 252 CA ASN A 127 24.765 -16.060 -19.292 1.00 63.43 C ATOM 253 C ASN A 127 25.937 -15.632 -18.414 1.00 62.22 C ATOM 254 O ASN A 127 25.745 -15.129 -17.307 1.00 64.22 O ATOM 255 CB ASN A 127 24.819 -15.320 -20.630 1.00 71.23 C ATOM 256 CG ASN A 127 23.470 -15.276 -21.321 1.00 54.10 C ATOM 257 OD1 ASN A 127 23.150 -16.139 -22.139 1.00 33.15 O ATOM 258 ND2 ASN A 127 22.671 -14.267 -20.995 1.00 12.44 N ATOM 0 H ASN A 127 23.175 -14.839 -18.679 1.00 4.21 H new ATOM 0 HA ASN A 127 24.843 -17.132 -19.474 1.00 63.43 H new ATOM 0 HB2 ASN A 127 25.173 -14.302 -20.465 1.00 71.23 H new ATOM 0 HB3 ASN A 127 25.543 -15.808 -21.283 1.00 71.23 H new ATOM 0 HD21 ASN A 127 21.751 -14.185 -21.428 1.00 12.44 H new ATOM 0 HD22 ASN A 127 22.977 -13.574 -20.312 1.00 12.44 H new ATOM 265 N SER A 128 27.151 -15.835 -18.917 1.00 0.15 N ATOM 266 CA SER A 128 28.355 -15.473 -18.177 1.00 55.10 C ATOM 267 C SER A 128 28.387 -13.975 -17.891 1.00 54.55 C ATOM 268 O SER A 128 27.635 -13.202 -18.487 1.00 4.24 O ATOM 269 CB SER A 128 29.603 -15.881 -18.962 1.00 11.13 C ATOM 270 OG SER A 128 29.655 -15.223 -20.216 1.00 12.34 O ATOM 0 H SER A 128 27.327 -16.248 -19.833 1.00 0.15 H new ATOM 0 HA SER A 128 28.342 -16.006 -17.226 1.00 55.10 H new ATOM 0 HB2 SER A 128 30.495 -15.640 -18.384 1.00 11.13 H new ATOM 0 HB3 SER A 128 29.604 -16.960 -19.114 1.00 11.13 H new ATOM 0 HG SER A 128 30.463 -15.500 -20.697 1.00 12.34 H new ATOM 276 N ASP A 129 29.262 -13.572 -16.977 1.00 12.22 N ATOM 277 CA ASP A 129 29.394 -12.166 -16.612 1.00 31.13 C ATOM 278 C ASP A 129 29.583 -11.298 -17.852 1.00 22.12 C ATOM 279 O ASP A 129 29.098 -10.169 -17.911 1.00 4.53 O ATOM 280 CB ASP A 129 30.572 -11.974 -15.655 1.00 73.20 C ATOM 281 CG ASP A 129 31.906 -12.268 -16.313 1.00 13.42 C ATOM 282 OD1 ASP A 129 32.162 -13.447 -16.636 1.00 12.24 O ATOM 283 OD2 ASP A 129 32.693 -11.318 -16.506 1.00 22.13 O ATOM 0 H ASP A 129 29.891 -14.199 -16.475 1.00 12.22 H new ATOM 0 HA ASP A 129 28.476 -11.858 -16.112 1.00 31.13 H new ATOM 0 HB2 ASP A 129 30.571 -10.949 -15.284 1.00 73.20 H new ATOM 0 HB3 ASP A 129 30.445 -12.626 -14.791 1.00 73.20 H new ATOM 288 N ALA A 130 30.292 -11.834 -18.840 1.00 42.41 N ATOM 289 CA ALA A 130 30.545 -11.108 -20.079 1.00 72.51 C ATOM 290 C ALA A 130 29.410 -11.314 -21.076 1.00 54.54 C ATOM 291 O ALA A 130 29.229 -10.517 -21.998 1.00 35.23 O ATOM 292 CB ALA A 130 31.869 -11.547 -20.687 1.00 1.35 C ATOM 0 H ALA A 130 30.701 -12.768 -18.807 1.00 42.41 H new ATOM 0 HA ALA A 130 30.600 -10.045 -19.844 1.00 72.51 H new ATOM 0 HB1 ALA A 130 32.045 -10.997 -21.611 1.00 1.35 H new ATOM 0 HB2 ALA A 130 32.677 -11.344 -19.984 1.00 1.35 H new ATOM 0 HB3 ALA A 130 31.835 -12.615 -20.901 1.00 1.35 H new ATOM 298 N ASP A 131 28.648 -12.386 -20.887 1.00 5.41 N ATOM 299 CA ASP A 131 27.530 -12.695 -21.770 1.00 61.21 C ATOM 300 C ASP A 131 26.220 -12.168 -21.193 1.00 50.22 C ATOM 301 O ASP A 131 25.146 -12.402 -21.748 1.00 40.13 O ATOM 302 CB ASP A 131 27.432 -14.205 -21.994 1.00 40.01 C ATOM 303 CG ASP A 131 28.515 -14.725 -22.919 1.00 52.53 C ATOM 304 OD1 ASP A 131 29.234 -13.896 -23.516 1.00 54.34 O ATOM 305 OD2 ASP A 131 28.644 -15.960 -23.046 1.00 1.03 O ATOM 0 H ASP A 131 28.785 -13.056 -20.130 1.00 5.41 H new ATOM 0 HA ASP A 131 27.708 -12.204 -22.727 1.00 61.21 H new ATOM 0 HB2 ASP A 131 27.501 -14.717 -21.034 1.00 40.01 H new ATOM 0 HB3 ASP A 131 26.455 -14.444 -22.413 1.00 40.01 H new ATOM 310 N CYS A 132 26.316 -11.456 -20.075 1.00 52.14 N ATOM 311 CA CYS A 132 25.139 -10.896 -19.421 1.00 62.34 C ATOM 312 C CYS A 132 25.217 -9.373 -19.373 1.00 33.03 C ATOM 313 O CYS A 132 26.208 -8.804 -18.915 1.00 24.44 O ATOM 314 CB CYS A 132 25.003 -11.456 -18.004 1.00 73.52 C ATOM 315 SG CYS A 132 23.297 -11.454 -17.365 1.00 10.03 S ATOM 0 H CYS A 132 27.197 -11.253 -19.603 1.00 52.14 H new ATOM 0 HA CYS A 132 24.261 -11.179 -20.002 1.00 62.34 H new ATOM 0 HB2 CYS A 132 25.384 -12.477 -17.990 1.00 73.52 H new ATOM 0 HB3 CYS A 132 25.632 -10.872 -17.332 1.00 73.52 H new ATOM 320 N THR A 133 24.163 -8.717 -19.848 1.00 52.24 N ATOM 321 CA THR A 133 24.111 -7.260 -19.860 1.00 70.44 C ATOM 322 C THR A 133 22.909 -6.747 -19.077 1.00 14.52 C ATOM 323 O THR A 133 21.858 -7.386 -19.015 1.00 2.11 O ATOM 324 CB THR A 133 24.045 -6.712 -21.298 1.00 75.44 C ATOM 325 OG1 THR A 133 22.937 -7.295 -21.994 1.00 14.21 O ATOM 326 CG2 THR A 133 25.334 -7.008 -22.050 1.00 54.22 C ATOM 0 H THR A 133 23.334 -9.172 -20.230 1.00 52.24 H new ATOM 0 HA THR A 133 25.027 -6.907 -19.387 1.00 70.44 H new ATOM 0 HB THR A 133 23.913 -5.631 -21.245 1.00 75.44 H new ATOM 0 HG1 THR A 133 22.901 -6.940 -22.907 1.00 14.21 H new ATOM 0 HG21 THR A 133 25.264 -6.612 -23.063 1.00 54.22 H new ATOM 0 HG22 THR A 133 26.172 -6.539 -21.534 1.00 54.22 H new ATOM 0 HG23 THR A 133 25.491 -8.086 -22.092 1.00 54.22 H new ATOM 334 N PRO A 134 23.062 -5.564 -18.464 1.00 4.44 N ATOM 335 CA PRO A 134 21.998 -4.937 -17.674 1.00 23.13 C ATOM 336 C PRO A 134 20.844 -4.448 -18.541 1.00 53.23 C ATOM 337 O PRO A 134 20.776 -4.753 -19.731 1.00 51.02 O ATOM 338 CB PRO A 134 22.703 -3.754 -17.004 1.00 72.35 C ATOM 339 CG PRO A 134 23.846 -3.435 -17.905 1.00 73.22 C ATOM 340 CD PRO A 134 24.287 -4.746 -18.495 1.00 30.32 C ATOM 0 HA PRO A 134 21.547 -5.636 -16.970 1.00 23.13 H new ATOM 0 HB2 PRO A 134 22.032 -2.901 -16.898 1.00 72.35 H new ATOM 0 HB3 PRO A 134 23.048 -4.014 -16.003 1.00 72.35 H new ATOM 0 HG2 PRO A 134 23.544 -2.737 -18.686 1.00 73.22 H new ATOM 0 HG3 PRO A 134 24.658 -2.963 -17.353 1.00 73.22 H new ATOM 0 HD2 PRO A 134 24.663 -4.623 -19.511 1.00 30.32 H new ATOM 0 HD3 PRO A 134 25.088 -5.200 -17.912 1.00 30.32 H new ATOM 348 N GLY A 135 19.937 -3.686 -17.937 1.00 53.01 N ATOM 349 CA GLY A 135 18.797 -3.166 -18.670 1.00 62.53 C ATOM 350 C GLY A 135 17.583 -4.068 -18.570 1.00 21.41 C ATOM 351 O GLY A 135 16.734 -3.883 -17.698 1.00 51.13 O ATOM 0 H GLY A 135 19.971 -3.419 -16.953 1.00 53.01 H new ATOM 0 HA2 GLY A 135 18.544 -2.177 -18.288 1.00 62.53 H new ATOM 0 HA3 GLY A 135 19.069 -3.042 -19.718 1.00 62.53 H new ATOM 447 N GLY A 143 12.042 -6.176 -14.930 1.00 0.52 N ATOM 448 CA GLY A 143 12.937 -5.495 -14.012 1.00 53.53 C ATOM 449 C GLY A 143 14.139 -4.894 -14.714 1.00 12.44 C ATOM 450 O GLY A 143 14.276 -5.005 -15.932 1.00 20.31 O ATOM 0 HA2 GLY A 143 12.391 -4.707 -13.494 1.00 53.53 H new ATOM 0 HA3 GLY A 143 13.278 -6.199 -13.252 1.00 53.53 H new ATOM 454 N VAL A 144 15.012 -4.253 -13.943 1.00 41.52 N ATOM 455 CA VAL A 144 16.209 -3.631 -14.498 1.00 14.21 C ATOM 456 C VAL A 144 17.433 -4.516 -14.293 1.00 51.15 C ATOM 457 O VAL A 144 17.984 -4.587 -13.195 1.00 74.13 O ATOM 458 CB VAL A 144 16.472 -2.254 -13.861 1.00 2.54 C ATOM 459 CG1 VAL A 144 17.595 -1.533 -14.591 1.00 24.30 C ATOM 460 CG2 VAL A 144 15.203 -1.416 -13.859 1.00 55.34 C ATOM 0 H VAL A 144 14.913 -4.151 -12.933 1.00 41.52 H new ATOM 0 HA VAL A 144 16.033 -3.501 -15.566 1.00 14.21 H new ATOM 0 HB VAL A 144 16.781 -2.406 -12.827 1.00 2.54 H new ATOM 0 HG11 VAL A 144 17.766 -0.562 -14.127 1.00 24.30 H new ATOM 0 HG12 VAL A 144 18.507 -2.128 -14.535 1.00 24.30 H new ATOM 0 HG13 VAL A 144 17.318 -1.392 -15.636 1.00 24.30 H new ATOM 0 HG21 VAL A 144 15.408 -0.446 -13.405 1.00 55.34 H new ATOM 0 HG22 VAL A 144 14.861 -1.272 -14.884 1.00 55.34 H new ATOM 0 HG23 VAL A 144 14.430 -1.928 -13.287 1.00 55.34 H new ATOM 470 N ALA A 145 17.854 -5.189 -15.359 1.00 42.12 N ATOM 471 CA ALA A 145 19.015 -6.068 -15.298 1.00 4.13 C ATOM 472 C ALA A 145 20.249 -5.315 -14.811 1.00 51.33 C ATOM 473 O ALA A 145 20.480 -4.167 -15.193 1.00 53.14 O ATOM 474 CB ALA A 145 19.278 -6.691 -16.661 1.00 4.03 C ATOM 0 H ALA A 145 17.408 -5.142 -16.275 1.00 42.12 H new ATOM 0 HA ALA A 145 18.801 -6.862 -14.583 1.00 4.13 H new ATOM 0 HB1 ALA A 145 20.148 -7.345 -16.600 1.00 4.03 H new ATOM 0 HB2 ALA A 145 18.409 -7.271 -16.970 1.00 4.03 H new ATOM 0 HB3 ALA A 145 19.466 -5.904 -17.391 1.00 4.03 H new ATOM 480 N THR A 146 21.040 -5.967 -13.965 1.00 73.30 N ATOM 481 CA THR A 146 22.249 -5.359 -13.425 1.00 13.42 C ATOM 482 C THR A 146 23.474 -5.750 -14.243 1.00 10.21 C ATOM 483 O THR A 146 24.395 -4.954 -14.419 1.00 1.52 O ATOM 484 CB THR A 146 22.475 -5.766 -11.956 1.00 54.44 C ATOM 485 OG1 THR A 146 22.959 -7.111 -11.890 1.00 64.30 O ATOM 486 CG2 THR A 146 21.186 -5.645 -11.157 1.00 71.41 C ATOM 0 H THR A 146 20.864 -6.917 -13.639 1.00 73.30 H new ATOM 0 HA THR A 146 22.110 -4.279 -13.478 1.00 13.42 H new ATOM 0 HB THR A 146 23.216 -5.093 -11.525 1.00 54.44 H new ATOM 0 HG1 THR A 146 22.311 -7.713 -12.312 1.00 64.30 H new ATOM 0 HG21 THR A 146 21.370 -5.937 -10.123 1.00 71.41 H new ATOM 0 HG22 THR A 146 20.836 -4.613 -11.185 1.00 71.41 H new ATOM 0 HG23 THR A 146 20.427 -6.298 -11.589 1.00 71.41 H new ATOM 494 N GLY A 147 23.478 -6.982 -14.742 1.00 71.23 N ATOM 495 CA GLY A 147 24.596 -7.457 -15.537 1.00 34.01 C ATOM 496 C GLY A 147 25.330 -8.606 -14.876 1.00 21.42 C ATOM 497 O GLY A 147 25.909 -9.455 -15.555 1.00 15.20 O ATOM 0 H GLY A 147 22.727 -7.660 -14.610 1.00 71.23 H new ATOM 0 HA2 GLY A 147 24.234 -7.776 -16.514 1.00 34.01 H new ATOM 0 HA3 GLY A 147 25.292 -6.635 -15.707 1.00 34.01 H new ATOM 501 N ARG A 148 25.309 -8.634 -13.547 1.00 70.12 N ATOM 502 CA ARG A 148 25.981 -9.686 -12.794 1.00 74.42 C ATOM 503 C ARG A 148 25.188 -10.989 -12.855 1.00 0.12 C ATOM 504 O ARG A 148 23.960 -10.977 -12.949 1.00 63.30 O ATOM 505 CB ARG A 148 26.170 -9.259 -11.337 1.00 73.35 C ATOM 506 CG ARG A 148 27.476 -9.739 -10.727 1.00 21.34 C ATOM 507 CD ARG A 148 27.346 -11.148 -10.169 1.00 33.01 C ATOM 508 NE ARG A 148 28.107 -11.321 -8.935 1.00 1.44 N ATOM 509 CZ ARG A 148 29.433 -11.380 -8.892 1.00 25.14 C ATOM 510 NH1 ARG A 148 30.141 -11.281 -10.008 1.00 44.12 N ATOM 511 NH2 ARG A 148 30.054 -11.539 -7.730 1.00 3.54 N ATOM 0 H ARG A 148 24.834 -7.940 -12.970 1.00 70.12 H new ATOM 0 HA ARG A 148 26.959 -9.854 -13.246 1.00 74.42 H new ATOM 0 HB2 ARG A 148 26.129 -8.171 -11.278 1.00 73.35 H new ATOM 0 HB3 ARG A 148 25.339 -9.642 -10.744 1.00 73.35 H new ATOM 0 HG2 ARG A 148 28.261 -9.717 -11.482 1.00 21.34 H new ATOM 0 HG3 ARG A 148 27.779 -9.058 -9.932 1.00 21.34 H new ATOM 0 HD2 ARG A 148 26.295 -11.368 -9.980 1.00 33.01 H new ATOM 0 HD3 ARG A 148 27.693 -11.866 -10.912 1.00 33.01 H new ATOM 0 HE ARG A 148 27.592 -11.401 -8.058 1.00 1.44 H new ATOM 0 HH11 ARG A 148 29.668 -11.159 -10.903 1.00 44.12 H new ATOM 0 HH12 ARG A 148 31.159 -11.327 -9.972 1.00 44.12 H new ATOM 0 HH21 ARG A 148 29.513 -11.616 -6.869 1.00 3.54 H new ATOM 0 HH22 ARG A 148 31.072 -11.584 -7.698 1.00 3.54 H new ATOM 525 N CYS A 149 25.898 -12.111 -12.801 1.00 2.34 N ATOM 526 CA CYS A 149 25.263 -13.422 -12.850 1.00 53.22 C ATOM 527 C CYS A 149 25.710 -14.288 -11.676 1.00 42.12 C ATOM 528 O CYS A 149 26.867 -14.237 -11.258 1.00 41.14 O ATOM 529 CB CYS A 149 25.593 -14.122 -14.170 1.00 32.12 C ATOM 530 SG CYS A 149 24.552 -15.576 -14.521 1.00 5.24 S ATOM 0 H CYS A 149 26.915 -12.138 -12.723 1.00 2.34 H new ATOM 0 HA CYS A 149 24.185 -13.279 -12.782 1.00 53.22 H new ATOM 0 HB2 CYS A 149 25.486 -13.406 -14.985 1.00 32.12 H new ATOM 0 HB3 CYS A 149 26.638 -14.432 -14.153 1.00 32.12 H new ATOM 535 N VAL A 150 24.785 -15.083 -11.148 1.00 62.44 N ATOM 536 CA VAL A 150 25.084 -15.962 -10.024 1.00 12.02 C ATOM 537 C VAL A 150 24.247 -17.235 -10.083 1.00 53.25 C ATOM 538 O VAL A 150 23.107 -17.237 -10.550 1.00 2.22 O ATOM 539 CB VAL A 150 24.831 -15.257 -8.678 1.00 53.21 C ATOM 540 CG1 VAL A 150 25.615 -13.956 -8.601 1.00 25.13 C ATOM 541 CG2 VAL A 150 23.344 -15.004 -8.481 1.00 34.43 C ATOM 0 H VAL A 150 23.822 -15.136 -11.481 1.00 62.44 H new ATOM 0 HA VAL A 150 26.140 -16.222 -10.098 1.00 12.02 H new ATOM 0 HB VAL A 150 25.175 -15.909 -7.876 1.00 53.21 H new ATOM 0 HG11 VAL A 150 25.424 -13.472 -7.643 1.00 25.13 H new ATOM 0 HG12 VAL A 150 26.680 -14.167 -8.695 1.00 25.13 H new ATOM 0 HG13 VAL A 150 25.304 -13.295 -9.410 1.00 25.13 H new ATOM 0 HG21 VAL A 150 23.183 -14.505 -7.525 1.00 34.43 H new ATOM 0 HG22 VAL A 150 22.973 -14.371 -9.287 1.00 34.43 H new ATOM 0 HG23 VAL A 150 22.809 -15.954 -8.489 1.00 34.43 H new ATOM 551 N PRO A 151 24.823 -18.345 -9.600 1.00 21.12 N ATOM 552 CA PRO A 151 24.147 -19.646 -9.586 1.00 4.02 C ATOM 553 C PRO A 151 22.996 -19.691 -8.587 1.00 1.51 C ATOM 554 O PRO A 151 23.169 -20.115 -7.444 1.00 74.02 O ATOM 555 CB PRO A 151 25.255 -20.617 -9.169 1.00 1.43 C ATOM 556 CG PRO A 151 26.221 -19.782 -8.401 1.00 11.32 C ATOM 557 CD PRO A 151 26.179 -18.416 -9.029 1.00 35.12 C ATOM 0 HA PRO A 151 23.696 -19.881 -10.550 1.00 4.02 H new ATOM 0 HB2 PRO A 151 24.861 -21.429 -8.558 1.00 1.43 H new ATOM 0 HB3 PRO A 151 25.729 -21.073 -10.038 1.00 1.43 H new ATOM 0 HG2 PRO A 151 25.945 -19.736 -7.347 1.00 11.32 H new ATOM 0 HG3 PRO A 151 27.225 -20.203 -8.449 1.00 11.32 H new ATOM 0 HD2 PRO A 151 26.347 -17.630 -8.293 1.00 35.12 H new ATOM 0 HD3 PRO A 151 26.945 -18.303 -9.796 1.00 35.12 H new ATOM 565 N PHE A 152 21.821 -19.250 -9.025 1.00 63.31 N ATOM 566 CA PHE A 152 20.641 -19.240 -8.169 1.00 1.44 C ATOM 567 C PHE A 152 20.384 -20.624 -7.580 1.00 11.43 C ATOM 568 O PHE A 152 20.295 -20.785 -6.363 1.00 60.45 O ATOM 569 CB PHE A 152 19.416 -18.773 -8.958 1.00 22.10 C ATOM 570 CG PHE A 152 18.276 -18.327 -8.088 1.00 22.45 C ATOM 571 CD1 PHE A 152 17.626 -19.228 -7.260 1.00 30.53 C ATOM 572 CD2 PHE A 152 17.855 -17.008 -8.097 1.00 1.53 C ATOM 573 CE1 PHE A 152 16.576 -18.821 -6.458 1.00 62.04 C ATOM 574 CE2 PHE A 152 16.806 -16.594 -7.297 1.00 61.12 C ATOM 575 CZ PHE A 152 16.167 -17.502 -6.476 1.00 75.02 C ATOM 0 H PHE A 152 21.661 -18.895 -9.968 1.00 63.31 H new ATOM 0 HA PHE A 152 20.823 -18.544 -7.350 1.00 1.44 H new ATOM 0 HB2 PHE A 152 19.707 -17.951 -9.612 1.00 22.10 H new ATOM 0 HB3 PHE A 152 19.076 -19.586 -9.600 1.00 22.10 H new ATOM 0 HD1 PHE A 152 17.943 -20.260 -7.241 1.00 30.53 H new ATOM 0 HD2 PHE A 152 18.352 -16.294 -8.737 1.00 1.53 H new ATOM 0 HE1 PHE A 152 16.076 -19.533 -5.818 1.00 62.04 H new ATOM 0 HE2 PHE A 152 16.487 -15.562 -7.314 1.00 61.12 H new ATOM 0 HZ PHE A 152 15.348 -17.181 -5.849 1.00 75.02 H new ATOM 585 N ASN A 153 20.265 -21.619 -8.453 1.00 12.33 N ATOM 586 CA ASN A 153 20.017 -22.989 -8.020 1.00 74.22 C ATOM 587 C ASN A 153 21.288 -23.827 -8.112 1.00 61.40 C ATOM 588 O ASN A 153 22.378 -23.297 -8.323 1.00 23.14 O ATOM 589 CB ASN A 153 18.913 -23.622 -8.870 1.00 34.13 C ATOM 590 CG ASN A 153 17.999 -24.518 -8.056 1.00 54.30 C ATOM 591 OD1 ASN A 153 17.857 -24.343 -6.846 1.00 33.03 O ATOM 592 ND2 ASN A 153 17.373 -25.484 -8.719 1.00 44.41 N ATOM 0 H ASN A 153 20.336 -21.502 -9.464 1.00 12.33 H new ATOM 0 HA ASN A 153 19.695 -22.962 -6.979 1.00 74.22 H new ATOM 0 HB2 ASN A 153 18.322 -22.835 -9.339 1.00 34.13 H new ATOM 0 HB3 ASN A 153 19.365 -24.203 -9.674 1.00 34.13 H new ATOM 0 HD21 ASN A 153 16.745 -26.117 -8.225 1.00 44.41 H new ATOM 0 HD22 ASN A 153 17.521 -25.592 -9.722 1.00 44.41 H new ATOM 599 N GLU A 154 21.139 -25.139 -7.953 1.00 53.21 N ATOM 600 CA GLU A 154 22.275 -26.050 -8.018 1.00 44.20 C ATOM 601 C GLU A 154 22.713 -26.271 -9.463 1.00 24.21 C ATOM 602 O GLU A 154 23.876 -26.064 -9.809 1.00 4.10 O ATOM 603 CB GLU A 154 21.921 -27.390 -7.370 1.00 1.21 C ATOM 604 CG GLU A 154 22.071 -27.393 -5.858 1.00 25.30 C ATOM 605 CD GLU A 154 23.519 -27.486 -5.416 1.00 20.31 C ATOM 606 OE1 GLU A 154 24.358 -27.938 -6.222 1.00 64.23 O ATOM 607 OE2 GLU A 154 23.812 -27.107 -4.263 1.00 10.53 O ATOM 0 H GLU A 154 20.243 -25.594 -7.778 1.00 53.21 H new ATOM 0 HA GLU A 154 23.102 -25.598 -7.471 1.00 44.20 H new ATOM 0 HB2 GLU A 154 20.893 -27.647 -7.625 1.00 1.21 H new ATOM 0 HB3 GLU A 154 22.558 -28.167 -7.792 1.00 1.21 H new ATOM 0 HG2 GLU A 154 21.628 -26.484 -5.451 1.00 25.30 H new ATOM 0 HG3 GLU A 154 21.514 -28.233 -5.443 1.00 25.30 H new ATOM 614 N SER A 155 21.773 -26.694 -10.302 1.00 22.31 N ATOM 615 CA SER A 155 22.062 -26.948 -11.708 1.00 70.44 C ATOM 616 C SER A 155 21.508 -25.831 -12.587 1.00 71.12 C ATOM 617 O SER A 155 21.279 -26.021 -13.782 1.00 44.40 O ATOM 618 CB SER A 155 21.469 -28.292 -12.138 1.00 3.11 C ATOM 619 OG SER A 155 20.053 -28.244 -12.149 1.00 61.33 O ATOM 0 H SER A 155 20.805 -26.868 -10.032 1.00 22.31 H new ATOM 0 HA SER A 155 23.145 -26.980 -11.831 1.00 70.44 H new ATOM 0 HB2 SER A 155 21.835 -28.554 -13.131 1.00 3.11 H new ATOM 0 HB3 SER A 155 21.804 -29.075 -11.458 1.00 3.11 H new ATOM 0 HG SER A 155 19.698 -29.114 -12.429 1.00 61.33 H new ATOM 625 N VAL A 156 21.294 -24.665 -11.986 1.00 40.12 N ATOM 626 CA VAL A 156 20.768 -23.516 -12.713 1.00 12.42 C ATOM 627 C VAL A 156 21.373 -22.215 -12.196 1.00 52.02 C ATOM 628 O VAL A 156 21.747 -22.112 -11.028 1.00 11.02 O ATOM 629 CB VAL A 156 19.234 -23.435 -12.601 1.00 73.31 C ATOM 630 CG1 VAL A 156 18.684 -22.376 -13.544 1.00 62.14 C ATOM 631 CG2 VAL A 156 18.608 -24.792 -12.887 1.00 15.14 C ATOM 0 H VAL A 156 21.477 -24.491 -10.998 1.00 40.12 H new ATOM 0 HA VAL A 156 21.042 -23.651 -13.759 1.00 12.42 H new ATOM 0 HB VAL A 156 18.976 -23.148 -11.582 1.00 73.31 H new ATOM 0 HG11 VAL A 156 17.599 -22.334 -13.450 1.00 62.14 H new ATOM 0 HG12 VAL A 156 19.108 -21.405 -13.288 1.00 62.14 H new ATOM 0 HG13 VAL A 156 18.950 -22.629 -14.570 1.00 62.14 H new ATOM 0 HG21 VAL A 156 17.524 -24.717 -12.804 1.00 15.14 H new ATOM 0 HG22 VAL A 156 18.873 -25.110 -13.895 1.00 15.14 H new ATOM 0 HG23 VAL A 156 18.978 -25.522 -12.167 1.00 15.14 H new ATOM 641 N LYS A 157 21.466 -21.222 -13.075 1.00 33.44 N ATOM 642 CA LYS A 157 22.024 -19.926 -12.709 1.00 14.14 C ATOM 643 C LYS A 157 21.219 -18.791 -13.334 1.00 61.15 C ATOM 644 O LYS A 157 20.766 -18.892 -14.475 1.00 60.42 O ATOM 645 CB LYS A 157 23.486 -19.833 -13.151 1.00 74.43 C ATOM 646 CG LYS A 157 23.701 -20.179 -14.615 1.00 0.24 C ATOM 647 CD LYS A 157 25.150 -19.980 -15.027 1.00 52.11 C ATOM 648 CE LYS A 157 26.016 -21.156 -14.605 1.00 22.53 C ATOM 649 NZ LYS A 157 26.510 -21.008 -13.208 1.00 20.43 N ATOM 0 H LYS A 157 21.162 -21.291 -14.046 1.00 33.44 H new ATOM 0 HA LYS A 157 21.973 -19.830 -11.624 1.00 14.14 H new ATOM 0 HB2 LYS A 157 23.849 -18.822 -12.968 1.00 74.43 H new ATOM 0 HB3 LYS A 157 24.086 -20.503 -12.536 1.00 74.43 H new ATOM 0 HG2 LYS A 157 23.410 -21.215 -14.792 1.00 0.24 H new ATOM 0 HG3 LYS A 157 23.056 -19.557 -15.236 1.00 0.24 H new ATOM 0 HD2 LYS A 157 25.208 -19.854 -16.108 1.00 52.11 H new ATOM 0 HD3 LYS A 157 25.534 -19.064 -14.578 1.00 52.11 H new ATOM 0 HE2 LYS A 157 25.442 -22.079 -14.691 1.00 22.53 H new ATOM 0 HE3 LYS A 157 26.865 -21.244 -15.283 1.00 22.53 H new ATOM 0 HZ1 LYS A 157 27.550 -21.031 -13.203 1.00 20.43 H new ATOM 0 HZ2 LYS A 157 26.182 -20.101 -12.818 1.00 20.43 H new ATOM 0 HZ3 LYS A 157 26.144 -21.788 -12.626 1.00 20.43 H new ATOM 663 N THR A 158 21.046 -17.709 -12.582 1.00 33.24 N ATOM 664 CA THR A 158 20.296 -16.555 -13.063 1.00 24.44 C ATOM 665 C THR A 158 21.134 -15.284 -12.985 1.00 24.41 C ATOM 666 O THR A 158 22.258 -15.299 -12.481 1.00 12.12 O ATOM 667 CB THR A 158 19.000 -16.352 -12.257 1.00 13.25 C ATOM 668 OG1 THR A 158 19.313 -16.075 -10.887 1.00 14.50 O ATOM 669 CG2 THR A 158 18.112 -17.584 -12.340 1.00 32.23 C ATOM 0 H THR A 158 21.415 -17.607 -11.637 1.00 33.24 H new ATOM 0 HA THR A 158 20.040 -16.755 -14.103 1.00 24.44 H new ATOM 0 HB THR A 158 18.462 -15.506 -12.685 1.00 13.25 H new ATOM 0 HG1 THR A 158 18.584 -15.561 -10.482 1.00 14.50 H new ATOM 0 HG21 THR A 158 17.203 -17.417 -11.763 1.00 32.23 H new ATOM 0 HG22 THR A 158 17.851 -17.775 -13.381 1.00 32.23 H new ATOM 0 HG23 THR A 158 18.645 -18.445 -11.936 1.00 32.23 H new ATOM 677 N CYS A 159 20.581 -14.185 -13.487 1.00 25.15 N ATOM 678 CA CYS A 159 21.278 -12.904 -13.474 1.00 34.20 C ATOM 679 C CYS A 159 20.597 -11.924 -12.523 1.00 34.42 C ATOM 680 O CYS A 159 19.387 -11.994 -12.306 1.00 24.23 O ATOM 681 CB CYS A 159 21.326 -12.313 -14.884 1.00 43.32 C ATOM 682 SG CYS A 159 22.996 -12.259 -15.611 1.00 10.04 S ATOM 0 H CYS A 159 19.652 -14.156 -13.908 1.00 25.15 H new ATOM 0 HA CYS A 159 22.296 -13.075 -13.123 1.00 34.20 H new ATOM 0 HB2 CYS A 159 20.677 -12.899 -15.534 1.00 43.32 H new ATOM 0 HB3 CYS A 159 20.920 -11.302 -14.857 1.00 43.32 H new ATOM 687 N GLU A 160 21.382 -11.012 -11.959 1.00 65.22 N ATOM 688 CA GLU A 160 20.855 -10.019 -11.031 1.00 40.11 C ATOM 689 C GLU A 160 20.031 -8.968 -11.769 1.00 72.04 C ATOM 690 O GLU A 160 20.445 -8.455 -12.809 1.00 65.30 O ATOM 691 CB GLU A 160 21.997 -9.344 -10.269 1.00 10.24 C ATOM 692 CG GLU A 160 22.117 -9.799 -8.824 1.00 63.51 C ATOM 693 CD GLU A 160 23.234 -9.093 -8.080 1.00 53.54 C ATOM 694 OE1 GLU A 160 23.040 -7.920 -7.696 1.00 43.14 O ATOM 695 OE2 GLU A 160 24.300 -9.711 -7.883 1.00 22.04 O ATOM 0 H GLU A 160 22.385 -10.940 -12.129 1.00 65.22 H new ATOM 0 HA GLU A 160 20.206 -10.532 -10.321 1.00 40.11 H new ATOM 0 HB2 GLU A 160 22.936 -9.547 -10.784 1.00 10.24 H new ATOM 0 HB3 GLU A 160 21.848 -8.264 -10.290 1.00 10.24 H new ATOM 0 HG2 GLU A 160 21.173 -9.618 -8.311 1.00 63.51 H new ATOM 0 HG3 GLU A 160 22.292 -10.875 -8.799 1.00 63.51 H new ATOM 702 N VAL A 161 18.860 -8.653 -11.225 1.00 1.55 N ATOM 703 CA VAL A 161 17.977 -7.663 -11.830 1.00 31.01 C ATOM 704 C VAL A 161 17.278 -6.826 -10.765 1.00 13.31 C ATOM 705 O VAL A 161 17.365 -7.120 -9.573 1.00 45.32 O ATOM 706 CB VAL A 161 16.914 -8.331 -12.722 1.00 53.21 C ATOM 707 CG1 VAL A 161 17.575 -9.199 -13.782 1.00 34.12 C ATOM 708 CG2 VAL A 161 15.948 -9.148 -11.878 1.00 35.11 C ATOM 0 H VAL A 161 18.501 -9.069 -10.366 1.00 1.55 H new ATOM 0 HA VAL A 161 18.602 -7.015 -12.445 1.00 31.01 H new ATOM 0 HB VAL A 161 16.347 -7.550 -13.229 1.00 53.21 H new ATOM 0 HG11 VAL A 161 16.808 -9.663 -14.403 1.00 34.12 H new ATOM 0 HG12 VAL A 161 18.222 -8.582 -14.405 1.00 34.12 H new ATOM 0 HG13 VAL A 161 18.169 -9.975 -13.299 1.00 34.12 H new ATOM 0 HG21 VAL A 161 15.204 -9.613 -12.524 1.00 35.11 H new ATOM 0 HG22 VAL A 161 16.498 -9.922 -11.342 1.00 35.11 H new ATOM 0 HG23 VAL A 161 15.449 -8.495 -11.161 1.00 35.11 H new ATOM 718 N ALA A 162 16.583 -5.781 -11.203 1.00 72.12 N ATOM 719 CA ALA A 162 15.866 -4.902 -10.288 1.00 32.12 C ATOM 720 C ALA A 162 14.357 -5.050 -10.453 1.00 42.12 C ATOM 721 O ALA A 162 13.775 -4.537 -11.408 1.00 72.03 O ATOM 722 CB ALA A 162 16.284 -3.456 -10.509 1.00 12.12 C ATOM 0 H ALA A 162 16.502 -5.523 -12.186 1.00 72.12 H new ATOM 0 HA ALA A 162 16.123 -5.191 -9.269 1.00 32.12 H new ATOM 0 HB1 ALA A 162 15.741 -2.811 -9.819 1.00 12.12 H new ATOM 0 HB2 ALA A 162 17.355 -3.356 -10.333 1.00 12.12 H new ATOM 0 HB3 ALA A 162 16.056 -3.164 -11.534 1.00 12.12 H new ATOM 728 N ALA A 163 13.730 -5.755 -9.517 1.00 42.12 N ATOM 729 CA ALA A 163 12.289 -5.969 -9.559 1.00 50.21 C ATOM 730 C ALA A 163 11.722 -6.163 -8.157 1.00 73.00 C ATOM 731 O ALA A 163 12.433 -6.012 -7.163 1.00 54.45 O ATOM 732 CB ALA A 163 11.959 -7.168 -10.435 1.00 32.40 C ATOM 0 H ALA A 163 14.198 -6.188 -8.720 1.00 42.12 H new ATOM 0 HA ALA A 163 11.827 -5.081 -9.989 1.00 50.21 H new ATOM 0 HB1 ALA A 163 10.879 -7.316 -10.457 1.00 32.40 H new ATOM 0 HB2 ALA A 163 12.322 -6.990 -11.447 1.00 32.40 H new ATOM 0 HB3 ALA A 163 12.439 -8.058 -10.029 1.00 32.40 H new ATOM 738 N TRP A 164 10.439 -6.498 -8.084 1.00 53.24 N ATOM 739 CA TRP A 164 9.776 -6.712 -6.803 1.00 2.23 C ATOM 740 C TRP A 164 9.838 -8.180 -6.397 1.00 33.14 C ATOM 741 O TRP A 164 9.119 -9.017 -6.944 1.00 15.41 O ATOM 742 CB TRP A 164 8.320 -6.250 -6.875 1.00 33.42 C ATOM 743 CG TRP A 164 7.483 -6.745 -5.734 1.00 73.12 C ATOM 744 CD1 TRP A 164 6.748 -7.896 -5.695 1.00 44.04 C ATOM 745 CD2 TRP A 164 7.293 -6.103 -4.469 1.00 11.22 C ATOM 746 NE1 TRP A 164 6.114 -8.008 -4.482 1.00 15.31 N ATOM 747 CE2 TRP A 164 6.432 -6.921 -3.711 1.00 40.13 C ATOM 748 CE3 TRP A 164 7.768 -4.918 -3.901 1.00 50.41 C ATOM 749 CZ2 TRP A 164 6.037 -6.589 -2.418 1.00 63.20 C ATOM 750 CZ3 TRP A 164 7.375 -4.590 -2.618 1.00 10.44 C ATOM 751 CH2 TRP A 164 6.517 -5.423 -1.887 1.00 44.11 C ATOM 0 H TRP A 164 9.837 -6.627 -8.897 1.00 53.24 H new ATOM 0 HA TRP A 164 10.299 -6.124 -6.049 1.00 2.23 H new ATOM 0 HB2 TRP A 164 8.292 -5.160 -6.891 1.00 33.42 H new ATOM 0 HB3 TRP A 164 7.883 -6.594 -7.813 1.00 33.42 H new ATOM 0 HD1 TRP A 164 6.676 -8.613 -6.500 1.00 44.04 H new ATOM 0 HE1 TRP A 164 5.505 -8.776 -4.201 1.00 15.31 H new ATOM 0 HE3 TRP A 164 8.431 -4.270 -4.455 1.00 50.41 H new ATOM 0 HZ2 TRP A 164 5.375 -7.229 -1.854 1.00 63.20 H new ATOM 0 HZ3 TRP A 164 7.735 -3.676 -2.170 1.00 10.44 H new ATOM 0 HH2 TRP A 164 6.229 -5.139 -0.886 1.00 44.11 H new ATOM 762 N CYS A 165 10.700 -8.488 -5.434 1.00 4.31 N ATOM 763 CA CYS A 165 10.856 -9.856 -4.954 1.00 40.42 C ATOM 764 C CYS A 165 10.664 -9.927 -3.442 1.00 41.10 C ATOM 765 O CYS A 165 10.830 -8.941 -2.723 1.00 31.30 O ATOM 766 CB CYS A 165 12.237 -10.396 -5.330 1.00 41.01 C ATOM 767 SG CYS A 165 13.602 -9.232 -5.013 1.00 64.31 S ATOM 0 H CYS A 165 11.302 -7.808 -4.970 1.00 4.31 H new ATOM 0 HA CYS A 165 10.091 -10.471 -5.429 1.00 40.42 H new ATOM 0 HB2 CYS A 165 12.420 -11.315 -4.773 1.00 41.01 H new ATOM 0 HB3 CYS A 165 12.237 -10.660 -6.388 1.00 41.01 H new