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 Single : A 113 GLN : amide:sc= -0.339 K(o=-0.34,f=-1.6!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0.0698 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= -0.511 USER MOD Single : A 127 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 THR OG1 : rot -120:sc= -2.02 USER MOD Single : A 153 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.43) 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 100:sc= -0.0139 USER MOD ----------------------------------------------------------------- ATOM 49 N GLN A 113 10.872 -1.502 -5.219 1.00 55.14 N ATOM 50 CA GLN A 113 11.890 -1.917 -6.177 1.00 0.12 C ATOM 51 C GLN A 113 13.151 -2.387 -5.460 1.00 63.41 C ATOM 52 O GLN A 113 13.943 -1.577 -4.980 1.00 2.33 O ATOM 53 CB GLN A 113 12.228 -0.765 -7.125 1.00 73.34 C ATOM 54 CG GLN A 113 11.021 -0.215 -7.868 1.00 12.00 C ATOM 55 CD GLN A 113 10.330 0.903 -7.112 1.00 22.22 C ATOM 56 OE1 GLN A 113 10.970 1.666 -6.388 1.00 22.13 O ATOM 57 NE2 GLN A 113 9.017 1.006 -7.276 1.00 74.32 N ATOM 0 HA GLN A 113 11.491 -2.750 -6.756 1.00 0.12 H new ATOM 0 HB2 GLN A 113 12.691 0.040 -6.555 1.00 73.34 H new ATOM 0 HB3 GLN A 113 12.966 -1.107 -7.850 1.00 73.34 H new ATOM 0 HG2 GLN A 113 11.337 0.153 -8.844 1.00 12.00 H new ATOM 0 HG3 GLN A 113 10.310 -1.022 -8.046 1.00 12.00 H new ATOM 0 HE21 GLN A 113 8.526 0.352 -7.886 1.00 74.32 H new ATOM 0 HE22 GLN A 113 8.499 1.739 -6.792 1.00 74.32 H new ATOM 66 N SER A 114 13.331 -3.703 -5.392 1.00 4.44 N ATOM 67 CA SER A 114 14.495 -4.281 -4.730 1.00 34.54 C ATOM 68 C SER A 114 15.348 -5.068 -5.720 1.00 35.40 C ATOM 69 O SER A 114 14.955 -5.277 -6.868 1.00 75.03 O ATOM 70 CB SER A 114 14.054 -5.192 -3.582 1.00 60.41 C ATOM 71 OG SER A 114 15.094 -5.357 -2.634 1.00 20.31 O ATOM 0 H SER A 114 12.686 -4.388 -5.787 1.00 4.44 H new ATOM 0 HA SER A 114 15.096 -3.466 -4.328 1.00 34.54 H new ATOM 0 HB2 SER A 114 13.176 -4.768 -3.094 1.00 60.41 H new ATOM 0 HB3 SER A 114 13.760 -6.164 -3.977 1.00 60.41 H new ATOM 0 HG SER A 114 14.787 -5.942 -1.910 1.00 20.31 H new ATOM 77 N THR A 115 16.519 -5.504 -5.267 1.00 2.10 N ATOM 78 CA THR A 115 17.430 -6.267 -6.112 1.00 15.34 C ATOM 79 C THR A 115 17.389 -7.750 -5.764 1.00 23.33 C ATOM 80 O THR A 115 17.294 -8.122 -4.594 1.00 10.25 O ATOM 81 CB THR A 115 18.878 -5.759 -5.979 1.00 13.13 C ATOM 82 OG1 THR A 115 19.715 -6.408 -6.942 1.00 53.14 O ATOM 83 CG2 THR A 115 19.415 -6.015 -4.579 1.00 33.23 C ATOM 0 H THR A 115 16.859 -5.342 -4.319 1.00 2.10 H new ATOM 0 HA THR A 115 17.098 -6.129 -7.141 1.00 15.34 H new ATOM 0 HB THR A 115 18.881 -4.684 -6.161 1.00 13.13 H new ATOM 0 HG1 THR A 115 20.633 -6.076 -6.854 1.00 53.14 H new ATOM 0 HG21 THR A 115 20.439 -5.648 -4.509 1.00 33.23 H new ATOM 0 HG22 THR A 115 18.793 -5.496 -3.850 1.00 33.23 H new ATOM 0 HG23 THR A 115 19.399 -7.085 -4.373 1.00 33.23 H new ATOM 91 N CYS A 116 17.463 -8.595 -6.786 1.00 63.35 N ATOM 92 CA CYS A 116 17.436 -10.040 -6.589 1.00 53.54 C ATOM 93 C CYS A 116 17.620 -10.773 -7.915 1.00 34.01 C ATOM 94 O CYS A 116 17.353 -10.238 -8.991 1.00 71.02 O ATOM 95 CB CYS A 116 16.117 -10.461 -5.939 1.00 73.52 C ATOM 96 SG CYS A 116 14.643 -9.681 -6.673 1.00 20.41 S ATOM 0 H CYS A 116 17.542 -8.304 -7.760 1.00 63.35 H new ATOM 0 HA CYS A 116 18.261 -10.308 -5.929 1.00 53.54 H new ATOM 0 HB2 CYS A 116 16.017 -11.544 -6.014 1.00 73.52 H new ATOM 0 HB3 CYS A 116 16.153 -10.217 -4.877 1.00 73.52 H new ATOM 101 N PRO A 117 18.086 -12.028 -7.837 1.00 22.13 N ATOM 102 CA PRO A 117 18.315 -12.863 -9.020 1.00 5.50 C ATOM 103 C PRO A 117 17.014 -13.284 -9.693 1.00 72.11 C ATOM 104 O PRO A 117 16.038 -13.618 -9.022 1.00 61.41 O ATOM 105 CB PRO A 117 19.046 -14.084 -8.456 1.00 41.15 C ATOM 106 CG PRO A 117 18.624 -14.153 -7.029 1.00 51.15 C ATOM 107 CD PRO A 117 18.425 -12.729 -6.587 1.00 64.52 C ATOM 0 HA PRO A 117 18.874 -12.333 -9.791 1.00 5.50 H new ATOM 0 HB2 PRO A 117 18.773 -14.992 -8.994 1.00 41.15 H new ATOM 0 HB3 PRO A 117 20.127 -13.974 -8.544 1.00 41.15 H new ATOM 0 HG2 PRO A 117 17.704 -14.727 -6.921 1.00 51.15 H new ATOM 0 HG3 PRO A 117 19.382 -14.648 -6.421 1.00 51.15 H new ATOM 0 HD2 PRO A 117 17.626 -12.645 -5.850 1.00 64.52 H new ATOM 0 HD3 PRO A 117 19.326 -12.321 -6.129 1.00 64.52 H new ATOM 115 N GLU A 118 17.007 -13.266 -11.022 1.00 43.14 N ATOM 116 CA GLU A 118 15.824 -13.646 -11.785 1.00 62.41 C ATOM 117 C GLU A 118 15.414 -15.083 -11.472 1.00 52.52 C ATOM 118 O GLU A 118 16.245 -15.908 -11.094 1.00 22.14 O ATOM 119 CB GLU A 118 16.086 -13.494 -13.285 1.00 23.51 C ATOM 120 CG GLU A 118 15.734 -12.120 -13.828 1.00 42.11 C ATOM 121 CD GLU A 118 14.248 -11.955 -14.080 1.00 30.13 C ATOM 122 OE1 GLU A 118 13.490 -12.908 -13.800 1.00 65.15 O ATOM 123 OE2 GLU A 118 13.842 -10.874 -14.556 1.00 24.44 O ATOM 0 H GLU A 118 17.807 -12.992 -11.593 1.00 43.14 H new ATOM 0 HA GLU A 118 15.009 -12.982 -11.497 1.00 62.41 H new ATOM 0 HB2 GLU A 118 17.139 -13.695 -13.484 1.00 23.51 H new ATOM 0 HB3 GLU A 118 15.511 -14.247 -13.824 1.00 23.51 H new ATOM 0 HG2 GLU A 118 16.066 -11.359 -13.122 1.00 42.11 H new ATOM 0 HG3 GLU A 118 16.277 -11.951 -14.758 1.00 42.11 H new ATOM 130 N ILE A 119 14.127 -15.372 -11.633 1.00 20.12 N ATOM 131 CA ILE A 119 13.606 -16.708 -11.368 1.00 43.42 C ATOM 132 C ILE A 119 14.132 -17.714 -12.386 1.00 72.12 C ATOM 133 O ILE A 119 13.975 -17.550 -13.596 1.00 72.32 O ATOM 134 CB ILE A 119 12.066 -16.726 -11.392 1.00 65.42 C ATOM 135 CG1 ILE A 119 11.507 -15.627 -10.486 1.00 61.44 C ATOM 136 CG2 ILE A 119 11.547 -18.090 -10.962 1.00 73.15 C ATOM 137 CD1 ILE A 119 11.959 -15.742 -9.047 1.00 61.24 C ATOM 0 H ILE A 119 13.426 -14.700 -11.945 1.00 20.12 H new ATOM 0 HA ILE A 119 13.949 -16.990 -10.372 1.00 43.42 H new ATOM 0 HB ILE A 119 11.730 -16.535 -12.411 1.00 65.42 H new ATOM 0 HG12 ILE A 119 11.810 -14.656 -10.877 1.00 61.44 H new ATOM 0 HG13 ILE A 119 10.418 -15.658 -10.520 1.00 61.44 H new ATOM 0 HG21 ILE A 119 10.457 -18.088 -10.984 1.00 73.15 H new ATOM 0 HG22 ILE A 119 11.922 -18.853 -11.644 1.00 73.15 H new ATOM 0 HG23 ILE A 119 11.889 -18.307 -9.950 1.00 73.15 H new ATOM 0 HD11 ILE A 119 11.524 -14.931 -8.463 1.00 61.24 H new ATOM 0 HD12 ILE A 119 11.632 -16.698 -8.638 1.00 61.24 H new ATOM 0 HD13 ILE A 119 13.046 -15.680 -9.001 1.00 61.24 H new ATOM 149 N PRO A 120 14.770 -18.783 -11.886 1.00 53.14 N ATOM 150 CA PRO A 120 15.329 -19.839 -12.735 1.00 24.10 C ATOM 151 C PRO A 120 14.247 -20.677 -13.407 1.00 42.13 C ATOM 152 O PRO A 120 13.217 -20.977 -12.804 1.00 54.31 O ATOM 153 CB PRO A 120 16.135 -20.694 -11.753 1.00 15.20 C ATOM 154 CG PRO A 120 15.488 -20.463 -10.431 1.00 55.21 C ATOM 155 CD PRO A 120 14.993 -19.043 -10.454 1.00 43.23 C ATOM 0 HA PRO A 120 15.922 -19.432 -13.554 1.00 24.10 H new ATOM 0 HB2 PRO A 120 16.106 -21.748 -12.029 1.00 15.20 H new ATOM 0 HB3 PRO A 120 17.184 -20.397 -11.738 1.00 15.20 H new ATOM 0 HG2 PRO A 120 14.665 -21.160 -10.272 1.00 55.21 H new ATOM 0 HG3 PRO A 120 16.197 -20.616 -9.618 1.00 55.21 H new ATOM 0 HD2 PRO A 120 14.075 -18.928 -9.877 1.00 43.23 H new ATOM 0 HD3 PRO A 120 15.725 -18.355 -10.030 1.00 43.23 H new ATOM 163 N ASP A 121 14.488 -21.052 -14.659 1.00 21.24 N ATOM 164 CA ASP A 121 13.534 -21.857 -15.412 1.00 62.45 C ATOM 165 C ASP A 121 14.240 -22.999 -16.137 1.00 61.05 C ATOM 166 O ASP A 121 15.390 -22.866 -16.556 1.00 63.22 O ATOM 167 CB ASP A 121 12.782 -20.986 -16.419 1.00 14.41 C ATOM 168 CG ASP A 121 11.374 -20.657 -15.962 1.00 31.43 C ATOM 169 OD1 ASP A 121 11.215 -20.198 -14.811 1.00 43.32 O ATOM 170 OD2 ASP A 121 10.431 -20.860 -16.755 1.00 12.54 O ATOM 0 H ASP A 121 15.335 -20.811 -15.173 1.00 21.24 H new ATOM 0 HA ASP A 121 12.820 -22.283 -14.707 1.00 62.45 H new ATOM 0 HB2 ASP A 121 13.335 -20.060 -16.578 1.00 14.41 H new ATOM 0 HB3 ASP A 121 12.738 -21.501 -17.379 1.00 14.41 H new ATOM 175 N LYS A 122 13.544 -24.122 -16.282 1.00 1.44 N ATOM 176 CA LYS A 122 14.103 -25.288 -16.956 1.00 14.42 C ATOM 177 C LYS A 122 14.368 -24.989 -18.428 1.00 24.41 C ATOM 178 O LYS A 122 15.078 -25.734 -19.105 1.00 44.21 O ATOM 179 CB LYS A 122 13.151 -26.480 -16.830 1.00 3.33 C ATOM 180 CG LYS A 122 12.739 -26.780 -15.399 1.00 52.10 C ATOM 181 CD LYS A 122 13.914 -27.274 -14.572 1.00 32.21 C ATOM 182 CE LYS A 122 14.194 -28.747 -14.826 1.00 70.34 C ATOM 183 NZ LYS A 122 15.606 -29.105 -14.516 1.00 32.11 N ATOM 0 H LYS A 122 12.591 -24.249 -15.941 1.00 1.44 H new ATOM 0 HA LYS A 122 15.050 -25.535 -16.477 1.00 14.42 H new ATOM 0 HB2 LYS A 122 12.258 -26.285 -17.423 1.00 3.33 H new ATOM 0 HB3 LYS A 122 13.629 -27.363 -17.254 1.00 3.33 H new ATOM 0 HG2 LYS A 122 12.324 -25.881 -14.943 1.00 52.10 H new ATOM 0 HG3 LYS A 122 11.950 -27.532 -15.397 1.00 52.10 H new ATOM 0 HD2 LYS A 122 14.801 -26.687 -14.811 1.00 32.21 H new ATOM 0 HD3 LYS A 122 13.706 -27.119 -13.513 1.00 32.21 H new ATOM 0 HE2 LYS A 122 13.524 -29.354 -14.218 1.00 70.34 H new ATOM 0 HE3 LYS A 122 13.980 -28.983 -15.868 1.00 70.34 H new ATOM 0 HZ1 LYS A 122 15.756 -30.117 -14.702 1.00 32.11 H new ATOM 0 HZ2 LYS A 122 16.246 -28.544 -15.114 1.00 32.11 H new ATOM 0 HZ3 LYS A 122 15.803 -28.904 -13.515 1.00 32.11 H new ATOM 197 N THR A 123 13.795 -23.895 -18.918 1.00 42.44 N ATOM 198 CA THR A 123 13.970 -23.498 -20.310 1.00 5.03 C ATOM 199 C THR A 123 14.620 -22.123 -20.412 1.00 3.23 C ATOM 200 O THR A 123 15.068 -21.715 -21.484 1.00 31.25 O ATOM 201 CB THR A 123 12.626 -23.475 -21.061 1.00 11.20 C ATOM 202 OG1 THR A 123 11.878 -24.660 -20.764 1.00 44.51 O ATOM 203 CG2 THR A 123 12.847 -23.371 -22.563 1.00 33.45 C ATOM 0 H THR A 123 13.205 -23.267 -18.372 1.00 42.44 H new ATOM 0 HA THR A 123 14.622 -24.240 -20.771 1.00 5.03 H new ATOM 0 HB THR A 123 12.065 -22.600 -20.731 1.00 11.20 H new ATOM 0 HG1 THR A 123 11.024 -24.637 -21.244 1.00 44.51 H new ATOM 0 HG21 THR A 123 11.883 -23.356 -23.072 1.00 33.45 H new ATOM 0 HG22 THR A 123 13.390 -22.453 -22.788 1.00 33.45 H new ATOM 0 HG23 THR A 123 13.426 -24.229 -22.906 1.00 33.45 H new ATOM 211 N SER A 124 14.669 -21.412 -19.290 1.00 4.13 N ATOM 212 CA SER A 124 15.262 -20.080 -19.254 1.00 24.21 C ATOM 213 C SER A 124 16.490 -20.056 -18.348 1.00 61.44 C ATOM 214 O SER A 124 16.377 -20.175 -17.128 1.00 70.40 O ATOM 215 CB SER A 124 14.236 -19.055 -18.768 1.00 2.21 C ATOM 216 OG SER A 124 12.915 -19.539 -18.932 1.00 55.35 O ATOM 0 H SER A 124 14.305 -21.736 -18.394 1.00 4.13 H new ATOM 0 HA SER A 124 15.573 -19.820 -20.266 1.00 24.21 H new ATOM 0 HB2 SER A 124 14.415 -18.827 -17.717 1.00 2.21 H new ATOM 0 HB3 SER A 124 14.357 -18.124 -19.322 1.00 2.21 H new ATOM 0 HG SER A 124 12.278 -18.866 -18.612 1.00 55.35 H new ATOM 222 N ILE A 125 17.662 -19.902 -18.955 1.00 50.22 N ATOM 223 CA ILE A 125 18.911 -19.861 -18.205 1.00 32.23 C ATOM 224 C ILE A 125 19.692 -18.587 -18.506 1.00 0.31 C ATOM 225 O ILE A 125 19.468 -17.935 -19.526 1.00 41.42 O ATOM 226 CB ILE A 125 19.797 -21.080 -18.521 1.00 25.23 C ATOM 227 CG1 ILE A 125 18.932 -22.283 -18.900 1.00 73.24 C ATOM 228 CG2 ILE A 125 20.684 -21.413 -17.330 1.00 31.31 C ATOM 229 CD1 ILE A 125 17.971 -22.704 -17.811 1.00 31.34 C ATOM 0 H ILE A 125 17.773 -19.804 -19.964 1.00 50.22 H new ATOM 0 HA ILE A 125 18.645 -19.879 -17.148 1.00 32.23 H new ATOM 0 HB ILE A 125 20.437 -20.835 -19.369 1.00 25.23 H new ATOM 0 HG12 ILE A 125 18.366 -22.044 -19.800 1.00 73.24 H new ATOM 0 HG13 ILE A 125 19.581 -23.124 -19.146 1.00 73.24 H new ATOM 0 HG21 ILE A 125 21.304 -22.277 -17.569 1.00 31.31 H new ATOM 0 HG22 ILE A 125 21.323 -20.560 -17.102 1.00 31.31 H new ATOM 0 HG23 ILE A 125 20.061 -21.641 -16.465 1.00 31.31 H new ATOM 0 HD11 ILE A 125 17.391 -23.562 -18.150 1.00 31.34 H new ATOM 0 HD12 ILE A 125 18.531 -22.975 -16.916 1.00 31.34 H new ATOM 0 HD13 ILE A 125 17.297 -21.878 -17.581 1.00 31.34 H new ATOM 241 N CYS A 126 20.611 -18.238 -17.612 1.00 44.32 N ATOM 242 CA CYS A 126 21.428 -17.042 -17.782 1.00 22.04 C ATOM 243 C CYS A 126 22.870 -17.411 -18.119 1.00 72.41 C ATOM 244 O CYS A 126 23.352 -18.479 -17.742 1.00 42.55 O ATOM 245 CB CYS A 126 21.392 -16.190 -16.511 1.00 64.32 C ATOM 246 SG CYS A 126 21.994 -14.486 -16.741 1.00 70.32 S ATOM 0 H CYS A 126 20.809 -18.766 -16.762 1.00 44.32 H new ATOM 0 HA CYS A 126 21.016 -16.466 -18.610 1.00 22.04 H new ATOM 0 HB2 CYS A 126 20.368 -16.155 -16.139 1.00 64.32 H new ATOM 0 HB3 CYS A 126 21.994 -16.676 -15.743 1.00 64.32 H new ATOM 251 N ASN A 127 23.552 -16.520 -18.831 1.00 72.44 N ATOM 252 CA ASN A 127 24.938 -16.752 -19.220 1.00 62.32 C ATOM 253 C ASN A 127 25.895 -16.004 -18.297 1.00 34.14 C ATOM 254 O ASN A 127 25.467 -15.310 -17.374 1.00 44.12 O ATOM 255 CB ASN A 127 25.163 -16.315 -20.669 1.00 5.31 C ATOM 256 CG ASN A 127 24.218 -17.003 -21.635 1.00 25.45 C ATOM 257 OD1 ASN A 127 24.519 -18.079 -22.154 1.00 15.35 O ATOM 258 ND2 ASN A 127 23.069 -16.385 -21.880 1.00 3.20 N ATOM 0 H ASN A 127 23.167 -15.631 -19.150 1.00 72.44 H new ATOM 0 HA ASN A 127 25.139 -17.820 -19.134 1.00 62.32 H new ATOM 0 HB2 ASN A 127 25.032 -15.235 -20.744 1.00 5.31 H new ATOM 0 HB3 ASN A 127 26.192 -16.532 -20.955 1.00 5.31 H new ATOM 0 HD21 ASN A 127 22.393 -16.800 -22.521 1.00 3.20 H new ATOM 0 HD22 ASN A 127 22.862 -15.495 -21.427 1.00 3.20 H new ATOM 265 N SER A 128 27.191 -16.150 -18.552 1.00 31.31 N ATOM 266 CA SER A 128 28.209 -15.491 -17.742 1.00 34.21 C ATOM 267 C SER A 128 28.070 -13.974 -17.825 1.00 24.11 C ATOM 268 O SER A 128 27.321 -13.452 -18.651 1.00 21.24 O ATOM 269 CB SER A 128 29.606 -15.913 -18.199 1.00 24.12 C ATOM 270 OG SER A 128 29.909 -17.228 -17.766 1.00 71.35 O ATOM 0 H SER A 128 27.561 -16.719 -19.313 1.00 31.31 H new ATOM 0 HA SER A 128 28.067 -15.795 -16.705 1.00 34.21 H new ATOM 0 HB2 SER A 128 29.667 -15.862 -19.286 1.00 24.12 H new ATOM 0 HB3 SER A 128 30.347 -15.217 -17.805 1.00 24.12 H new ATOM 0 HG SER A 128 30.807 -17.475 -18.072 1.00 71.35 H new ATOM 276 N ASP A 129 28.799 -13.272 -16.963 1.00 75.25 N ATOM 277 CA ASP A 129 28.759 -11.815 -16.939 1.00 2.44 C ATOM 278 C ASP A 129 29.110 -11.238 -18.307 1.00 22.23 C ATOM 279 O ASP A 129 28.575 -10.207 -18.712 1.00 42.15 O ATOM 280 CB ASP A 129 29.724 -11.275 -15.881 1.00 73.13 C ATOM 281 CG ASP A 129 29.285 -11.615 -14.470 1.00 41.34 C ATOM 282 OD1 ASP A 129 28.308 -12.378 -14.320 1.00 12.20 O ATOM 283 OD2 ASP A 129 29.920 -11.118 -13.517 1.00 34.14 O ATOM 0 H ASP A 129 29.424 -13.689 -16.273 1.00 75.25 H new ATOM 0 HA ASP A 129 27.744 -11.508 -16.686 1.00 2.44 H new ATOM 0 HB2 ASP A 129 30.719 -11.685 -16.058 1.00 73.13 H new ATOM 0 HB3 ASP A 129 29.802 -10.193 -15.983 1.00 73.13 H new ATOM 288 N ALA A 130 30.013 -11.911 -19.013 1.00 3.24 N ATOM 289 CA ALA A 130 30.435 -11.466 -20.335 1.00 61.10 C ATOM 290 C ALA A 130 29.323 -11.659 -21.360 1.00 34.41 C ATOM 291 O ALA A 130 29.413 -11.174 -22.488 1.00 2.34 O ATOM 292 CB ALA A 130 31.689 -12.211 -20.767 1.00 61.45 C ATOM 0 H ALA A 130 30.466 -12.766 -18.691 1.00 3.24 H new ATOM 0 HA ALA A 130 30.660 -10.401 -20.278 1.00 61.10 H new ATOM 0 HB1 ALA A 130 31.993 -11.869 -21.756 1.00 61.45 H new ATOM 0 HB2 ALA A 130 32.491 -12.018 -20.054 1.00 61.45 H new ATOM 0 HB3 ALA A 130 31.483 -13.281 -20.801 1.00 61.45 H new ATOM 298 N ASP A 131 28.275 -12.372 -20.961 1.00 54.32 N ATOM 299 CA ASP A 131 27.144 -12.629 -21.845 1.00 51.04 C ATOM 300 C ASP A 131 25.864 -12.020 -21.282 1.00 33.13 C ATOM 301 O ASP A 131 24.809 -12.069 -21.915 1.00 71.31 O ATOM 302 CB ASP A 131 26.961 -14.134 -22.050 1.00 12.34 C ATOM 303 CG ASP A 131 27.947 -14.707 -23.048 1.00 41.43 C ATOM 304 OD1 ASP A 131 28.699 -13.918 -23.658 1.00 23.13 O ATOM 305 OD2 ASP A 131 27.966 -15.944 -23.221 1.00 42.50 O ATOM 0 H ASP A 131 28.185 -12.782 -20.031 1.00 54.32 H new ATOM 0 HA ASP A 131 27.354 -12.162 -22.807 1.00 51.04 H new ATOM 0 HB2 ASP A 131 27.078 -14.645 -21.094 1.00 12.34 H new ATOM 0 HB3 ASP A 131 25.945 -14.330 -22.394 1.00 12.34 H new ATOM 310 N CYS A 132 25.963 -11.447 -20.087 1.00 24.21 N ATOM 311 CA CYS A 132 24.814 -10.830 -19.436 1.00 41.10 C ATOM 312 C CYS A 132 25.046 -9.337 -19.224 1.00 42.42 C ATOM 313 O CYS A 132 26.063 -8.928 -18.663 1.00 44.22 O ATOM 314 CB CYS A 132 24.536 -11.509 -18.094 1.00 31.42 C ATOM 315 SG CYS A 132 22.833 -11.286 -17.486 1.00 3.31 S ATOM 0 H CYS A 132 26.828 -11.397 -19.549 1.00 24.21 H new ATOM 0 HA CYS A 132 23.948 -10.957 -20.086 1.00 41.10 H new ATOM 0 HB2 CYS A 132 24.739 -12.576 -18.190 1.00 31.42 H new ATOM 0 HB3 CYS A 132 25.230 -11.118 -17.350 1.00 31.42 H new ATOM 320 N THR A 133 24.095 -8.525 -19.677 1.00 21.41 N ATOM 321 CA THR A 133 24.195 -7.078 -19.538 1.00 62.14 C ATOM 322 C THR A 133 23.028 -6.521 -18.732 1.00 0.05 C ATOM 323 O THR A 133 21.916 -7.050 -18.756 1.00 44.32 O ATOM 324 CB THR A 133 24.232 -6.383 -20.913 1.00 23.53 C ATOM 325 OG1 THR A 133 23.208 -6.917 -21.759 1.00 64.44 O ATOM 326 CG2 THR A 133 25.590 -6.565 -21.574 1.00 41.13 C ATOM 0 H THR A 133 23.247 -8.846 -20.143 1.00 21.41 H new ATOM 0 HA THR A 133 25.127 -6.875 -19.011 1.00 62.14 H new ATOM 0 HB THR A 133 24.059 -5.317 -20.763 1.00 23.53 H new ATOM 0 HG1 THR A 133 23.237 -6.469 -22.630 1.00 64.44 H new ATOM 0 HG21 THR A 133 25.593 -6.066 -22.543 1.00 41.13 H new ATOM 0 HG22 THR A 133 26.364 -6.132 -20.941 1.00 41.13 H new ATOM 0 HG23 THR A 133 25.788 -7.628 -21.713 1.00 41.13 H new ATOM 334 N PRO A 134 23.283 -5.427 -17.998 1.00 61.05 N ATOM 335 CA PRO A 134 22.265 -4.774 -17.171 1.00 12.51 C ATOM 336 C PRO A 134 21.194 -4.083 -18.008 1.00 14.42 C ATOM 337 O PRO A 134 21.145 -4.243 -19.227 1.00 33.14 O ATOM 338 CB PRO A 134 23.066 -3.743 -16.371 1.00 34.00 C ATOM 339 CG PRO A 134 24.262 -3.458 -17.211 1.00 63.12 C ATOM 340 CD PRO A 134 24.585 -4.744 -17.922 1.00 1.54 C ATOM 0 HA PRO A 134 21.724 -5.489 -16.551 1.00 12.51 H new ATOM 0 HB2 PRO A 134 22.483 -2.840 -16.193 1.00 34.00 H new ATOM 0 HB3 PRO A 134 23.352 -4.135 -15.395 1.00 34.00 H new ATOM 0 HG2 PRO A 134 24.057 -2.659 -17.924 1.00 63.12 H new ATOM 0 HG3 PRO A 134 25.101 -3.130 -16.597 1.00 63.12 H new ATOM 0 HD2 PRO A 134 25.002 -4.562 -18.913 1.00 1.54 H new ATOM 0 HD3 PRO A 134 25.317 -5.335 -17.372 1.00 1.54 H new ATOM 348 N GLY A 135 20.336 -3.312 -17.345 1.00 22.32 N ATOM 349 CA GLY A 135 19.277 -2.608 -18.044 1.00 64.23 C ATOM 350 C GLY A 135 17.986 -3.401 -18.091 1.00 65.35 C ATOM 351 O GLY A 135 17.125 -3.250 -17.226 1.00 13.53 O ATOM 0 H GLY A 135 20.356 -3.163 -16.336 1.00 22.32 H new ATOM 0 HA2 GLY A 135 19.095 -1.652 -17.553 1.00 64.23 H new ATOM 0 HA3 GLY A 135 19.601 -2.387 -19.061 1.00 64.23 H new ATOM 447 N GLY A 143 12.098 -5.354 -14.857 1.00 53.43 N ATOM 448 CA GLY A 143 13.017 -4.866 -13.846 1.00 41.31 C ATOM 449 C GLY A 143 14.288 -4.296 -14.445 1.00 11.35 C ATOM 450 O GLY A 143 14.418 -4.195 -15.665 1.00 33.54 O ATOM 0 HA2 GLY A 143 12.523 -4.098 -13.251 1.00 41.31 H new ATOM 0 HA3 GLY A 143 13.272 -5.680 -13.168 1.00 41.31 H new ATOM 454 N VAL A 144 15.228 -3.919 -13.584 1.00 24.31 N ATOM 455 CA VAL A 144 16.495 -3.355 -14.034 1.00 63.53 C ATOM 456 C VAL A 144 17.622 -4.376 -13.922 1.00 71.53 C ATOM 457 O VAL A 144 18.125 -4.643 -12.832 1.00 22.45 O ATOM 458 CB VAL A 144 16.871 -2.101 -13.223 1.00 64.32 C ATOM 459 CG1 VAL A 144 18.072 -1.403 -13.845 1.00 33.45 C ATOM 460 CG2 VAL A 144 15.685 -1.154 -13.126 1.00 71.34 C ATOM 0 H VAL A 144 15.136 -3.994 -12.571 1.00 24.31 H new ATOM 0 HA VAL A 144 16.364 -3.076 -15.080 1.00 63.53 H new ATOM 0 HB VAL A 144 17.143 -2.410 -12.214 1.00 64.32 H new ATOM 0 HG11 VAL A 144 18.323 -0.519 -13.259 1.00 33.45 H new ATOM 0 HG12 VAL A 144 18.923 -2.084 -13.857 1.00 33.45 H new ATOM 0 HG13 VAL A 144 17.831 -1.105 -14.865 1.00 33.45 H new ATOM 0 HG21 VAL A 144 15.969 -0.273 -12.550 1.00 71.34 H new ATOM 0 HG22 VAL A 144 15.380 -0.850 -14.127 1.00 71.34 H new ATOM 0 HG23 VAL A 144 14.855 -1.659 -12.632 1.00 71.34 H new ATOM 470 N ALA A 145 18.014 -4.944 -15.058 1.00 74.23 N ATOM 471 CA ALA A 145 19.083 -5.934 -15.088 1.00 71.45 C ATOM 472 C ALA A 145 20.359 -5.383 -14.461 1.00 61.45 C ATOM 473 O ALA A 145 20.671 -4.200 -14.599 1.00 53.11 O ATOM 474 CB ALA A 145 19.346 -6.383 -16.518 1.00 61.42 C ATOM 0 H ALA A 145 17.607 -4.735 -15.970 1.00 74.23 H new ATOM 0 HA ALA A 145 18.764 -6.795 -14.501 1.00 71.45 H new ATOM 0 HB1 ALA A 145 20.147 -7.122 -16.526 1.00 61.42 H new ATOM 0 HB2 ALA A 145 18.440 -6.825 -16.933 1.00 61.42 H new ATOM 0 HB3 ALA A 145 19.640 -5.524 -17.121 1.00 61.42 H new ATOM 480 N THR A 146 21.095 -6.249 -13.771 1.00 43.20 N ATOM 481 CA THR A 146 22.337 -5.848 -13.121 1.00 73.31 C ATOM 482 C THR A 146 23.544 -6.179 -13.991 1.00 1.20 C ATOM 483 O THR A 146 24.597 -5.554 -13.872 1.00 1.22 O ATOM 484 CB THR A 146 22.501 -6.535 -11.752 1.00 61.12 C ATOM 485 OG1 THR A 146 21.223 -6.941 -11.251 1.00 74.01 O ATOM 486 CG2 THR A 146 23.169 -5.601 -10.755 1.00 1.33 C ATOM 0 H THR A 146 20.853 -7.232 -13.648 1.00 43.20 H new ATOM 0 HA THR A 146 22.284 -4.769 -12.974 1.00 73.31 H new ATOM 0 HB THR A 146 23.134 -7.413 -11.884 1.00 61.12 H new ATOM 0 HG1 THR A 146 21.053 -6.499 -10.393 1.00 74.01 H new ATOM 0 HG21 THR A 146 23.274 -6.108 -9.796 1.00 1.33 H new ATOM 0 HG22 THR A 146 24.154 -5.318 -11.126 1.00 1.33 H new ATOM 0 HG23 THR A 146 22.558 -4.707 -10.628 1.00 1.33 H new ATOM 494 N GLY A 147 23.384 -7.166 -14.868 1.00 1.15 N ATOM 495 CA GLY A 147 24.470 -7.562 -15.745 1.00 52.44 C ATOM 496 C GLY A 147 25.261 -8.733 -15.197 1.00 50.34 C ATOM 497 O GLY A 147 25.932 -9.442 -15.947 1.00 5.20 O ATOM 0 H GLY A 147 22.522 -7.698 -14.986 1.00 1.15 H new ATOM 0 HA2 GLY A 147 24.066 -7.826 -16.722 1.00 52.44 H new ATOM 0 HA3 GLY A 147 25.139 -6.715 -15.895 1.00 52.44 H new ATOM 501 N ARG A 148 25.184 -8.935 -13.886 1.00 74.42 N ATOM 502 CA ARG A 148 25.901 -10.027 -13.238 1.00 54.12 C ATOM 503 C ARG A 148 24.993 -11.240 -13.054 1.00 43.21 C ATOM 504 O ARG A 148 23.922 -11.142 -12.454 1.00 62.14 O ATOM 505 CB ARG A 148 26.445 -9.574 -11.883 1.00 5.35 C ATOM 506 CG ARG A 148 27.674 -8.685 -11.986 1.00 42.02 C ATOM 507 CD ARG A 148 28.188 -8.283 -10.613 1.00 2.33 C ATOM 508 NE ARG A 148 29.452 -7.555 -10.693 1.00 14.42 N ATOM 509 CZ ARG A 148 30.631 -8.144 -10.857 1.00 34.33 C ATOM 510 NH1 ARG A 148 30.707 -9.464 -10.958 1.00 20.11 N ATOM 511 NH2 ARG A 148 31.736 -7.413 -10.920 1.00 62.43 N ATOM 0 H ARG A 148 24.633 -8.357 -13.252 1.00 74.42 H new ATOM 0 HA ARG A 148 26.735 -10.313 -13.880 1.00 54.12 H new ATOM 0 HB2 ARG A 148 25.662 -9.036 -11.348 1.00 5.35 H new ATOM 0 HB3 ARG A 148 26.692 -10.453 -11.288 1.00 5.35 H new ATOM 0 HG2 ARG A 148 28.459 -9.210 -12.530 1.00 42.02 H new ATOM 0 HG3 ARG A 148 27.431 -7.791 -12.560 1.00 42.02 H new ATOM 0 HD2 ARG A 148 27.443 -7.662 -10.115 1.00 2.33 H new ATOM 0 HD3 ARG A 148 28.321 -9.175 -10.001 1.00 2.33 H new ATOM 0 HE ARG A 148 29.428 -6.538 -10.619 1.00 14.42 H new ATOM 0 HH11 ARG A 148 29.859 -10.029 -10.910 1.00 20.11 H new ATOM 0 HH12 ARG A 148 31.613 -9.915 -11.084 1.00 20.11 H new ATOM 0 HH21 ARG A 148 31.681 -6.397 -10.842 1.00 62.43 H new ATOM 0 HH22 ARG A 148 32.641 -7.866 -11.046 1.00 62.43 H new ATOM 525 N CYS A 149 25.429 -12.382 -13.574 1.00 73.43 N ATOM 526 CA CYS A 149 24.657 -13.615 -13.469 1.00 13.51 C ATOM 527 C CYS A 149 25.272 -14.555 -12.437 1.00 31.31 C ATOM 528 O CYS A 149 26.481 -14.538 -12.208 1.00 64.22 O ATOM 529 CB CYS A 149 24.581 -14.311 -14.829 1.00 34.21 C ATOM 530 SG CYS A 149 23.358 -13.587 -15.968 1.00 54.41 S ATOM 0 H CYS A 149 26.313 -12.480 -14.073 1.00 73.43 H new ATOM 0 HA CYS A 149 23.649 -13.357 -13.144 1.00 13.51 H new ATOM 0 HB2 CYS A 149 25.564 -14.276 -15.298 1.00 34.21 H new ATOM 0 HB3 CYS A 149 24.339 -15.362 -14.674 1.00 34.21 H new ATOM 535 N VAL A 150 24.430 -15.376 -11.816 1.00 62.04 N ATOM 536 CA VAL A 150 24.890 -16.325 -10.810 1.00 23.22 C ATOM 537 C VAL A 150 24.033 -17.586 -10.811 1.00 0.13 C ATOM 538 O VAL A 150 22.865 -17.572 -11.199 1.00 12.10 O ATOM 539 CB VAL A 150 24.868 -15.704 -9.401 1.00 2.43 C ATOM 540 CG1 VAL A 150 25.954 -14.647 -9.266 1.00 21.12 C ATOM 541 CG2 VAL A 150 23.499 -15.114 -9.100 1.00 54.45 C ATOM 0 H VAL A 150 23.426 -15.402 -11.993 1.00 62.04 H new ATOM 0 HA VAL A 150 25.916 -16.587 -11.068 1.00 23.22 H new ATOM 0 HB VAL A 150 25.067 -16.491 -8.673 1.00 2.43 H new ATOM 0 HG11 VAL A 150 25.923 -14.219 -8.264 1.00 21.12 H new ATOM 0 HG12 VAL A 150 26.929 -15.103 -9.436 1.00 21.12 H new ATOM 0 HG13 VAL A 150 25.789 -13.860 -10.002 1.00 21.12 H new ATOM 0 HG21 VAL A 150 23.502 -14.680 -8.100 1.00 54.45 H new ATOM 0 HG22 VAL A 150 23.268 -14.340 -9.831 1.00 54.45 H new ATOM 0 HG23 VAL A 150 22.745 -15.899 -9.152 1.00 54.45 H new ATOM 551 N PRO A 151 24.625 -18.704 -10.365 1.00 71.13 N ATOM 552 CA PRO A 151 23.933 -19.995 -10.304 1.00 23.14 C ATOM 553 C PRO A 151 22.852 -20.023 -9.229 1.00 54.52 C ATOM 554 O PRO A 151 23.106 -20.407 -8.088 1.00 21.14 O ATOM 555 CB PRO A 151 25.053 -20.981 -9.961 1.00 33.23 C ATOM 556 CG PRO A 151 26.080 -20.160 -9.261 1.00 51.21 C ATOM 557 CD PRO A 151 26.015 -18.794 -9.887 1.00 33.10 C ATOM 0 HA PRO A 151 23.414 -20.224 -11.235 1.00 23.14 H new ATOM 0 HB2 PRO A 151 24.689 -21.787 -9.324 1.00 33.23 H new ATOM 0 HB3 PRO A 151 25.461 -21.444 -10.859 1.00 33.23 H new ATOM 0 HG2 PRO A 151 25.876 -20.109 -8.191 1.00 51.21 H new ATOM 0 HG3 PRO A 151 27.073 -20.595 -9.376 1.00 51.21 H new ATOM 0 HD2 PRO A 151 26.243 -18.010 -9.165 1.00 33.10 H new ATOM 0 HD3 PRO A 151 26.729 -18.692 -10.705 1.00 33.10 H new ATOM 565 N PHE A 152 21.644 -19.613 -9.602 1.00 14.44 N ATOM 566 CA PHE A 152 20.523 -19.590 -8.669 1.00 52.10 C ATOM 567 C PHE A 152 20.373 -20.936 -7.966 1.00 54.03 C ATOM 568 O PHE A 152 20.349 -21.008 -6.738 1.00 42.24 O ATOM 569 CB PHE A 152 19.228 -19.238 -9.404 1.00 35.13 C ATOM 570 CG PHE A 152 18.114 -18.818 -8.488 1.00 32.23 C ATOM 571 CD1 PHE A 152 17.552 -19.721 -7.600 1.00 32.14 C ATOM 572 CD2 PHE A 152 17.629 -17.521 -8.515 1.00 55.40 C ATOM 573 CE1 PHE A 152 16.527 -19.338 -6.755 1.00 11.11 C ATOM 574 CE2 PHE A 152 16.604 -17.132 -7.673 1.00 3.45 C ATOM 575 CZ PHE A 152 16.052 -18.042 -6.792 1.00 50.43 C ATOM 0 H PHE A 152 21.416 -19.292 -10.543 1.00 14.44 H new ATOM 0 HA PHE A 152 20.724 -18.828 -7.916 1.00 52.10 H new ATOM 0 HB2 PHE A 152 19.428 -18.434 -10.112 1.00 35.13 H new ATOM 0 HB3 PHE A 152 18.904 -20.101 -9.986 1.00 35.13 H new ATOM 0 HD1 PHE A 152 17.919 -20.736 -7.568 1.00 32.14 H new ATOM 0 HD2 PHE A 152 18.056 -16.805 -9.202 1.00 55.40 H new ATOM 0 HE1 PHE A 152 16.098 -20.052 -6.067 1.00 11.11 H new ATOM 0 HE2 PHE A 152 16.235 -16.117 -7.704 1.00 3.45 H new ATOM 0 HZ PHE A 152 15.251 -17.740 -6.134 1.00 50.43 H new ATOM 585 N ASN A 153 20.270 -22.001 -8.755 1.00 45.44 N ATOM 586 CA ASN A 153 20.121 -23.345 -8.210 1.00 2.22 C ATOM 587 C ASN A 153 21.395 -24.160 -8.415 1.00 12.54 C ATOM 588 O ASN A 153 22.432 -23.621 -8.801 1.00 74.30 O ATOM 589 CB ASN A 153 18.936 -24.056 -8.867 1.00 4.20 C ATOM 590 CG ASN A 153 18.141 -24.888 -7.879 1.00 42.44 C ATOM 591 OD1 ASN A 153 17.768 -24.410 -6.808 1.00 34.22 O ATOM 592 ND2 ASN A 153 17.879 -26.139 -8.237 1.00 33.42 N ATOM 0 H ASN A 153 20.287 -21.959 -9.774 1.00 45.44 H new ATOM 0 HA ASN A 153 19.935 -23.257 -7.139 1.00 2.22 H new ATOM 0 HB2 ASN A 153 18.280 -23.316 -9.325 1.00 4.20 H new ATOM 0 HB3 ASN A 153 19.300 -24.699 -9.669 1.00 4.20 H new ATOM 0 HD21 ASN A 153 17.348 -26.747 -7.614 1.00 33.42 H new ATOM 0 HD22 ASN A 153 18.209 -26.492 -9.135 1.00 33.42 H new ATOM 599 N GLU A 154 21.307 -25.460 -8.153 1.00 64.03 N ATOM 600 CA GLU A 154 22.453 -26.348 -8.309 1.00 21.51 C ATOM 601 C GLU A 154 22.694 -26.674 -9.780 1.00 55.54 C ATOM 602 O GLU A 154 23.833 -26.857 -10.208 1.00 71.34 O ATOM 603 CB GLU A 154 22.236 -27.641 -7.519 1.00 13.42 C ATOM 604 CG GLU A 154 22.333 -27.457 -6.014 1.00 22.34 C ATOM 605 CD GLU A 154 23.761 -27.531 -5.508 1.00 50.22 C ATOM 606 OE1 GLU A 154 24.658 -26.980 -6.180 1.00 71.32 O ATOM 607 OE2 GLU A 154 23.981 -28.139 -4.440 1.00 32.13 O ATOM 0 H GLU A 154 20.456 -25.921 -7.832 1.00 64.03 H new ATOM 0 HA GLU A 154 23.332 -25.835 -7.920 1.00 21.51 H new ATOM 0 HB2 GLU A 154 21.255 -28.047 -7.765 1.00 13.42 H new ATOM 0 HB3 GLU A 154 22.974 -28.378 -7.835 1.00 13.42 H new ATOM 0 HG2 GLU A 154 21.904 -26.493 -5.741 1.00 22.34 H new ATOM 0 HG3 GLU A 154 21.736 -28.223 -5.519 1.00 22.34 H new ATOM 614 N SER A 155 21.612 -26.743 -10.549 1.00 74.34 N ATOM 615 CA SER A 155 21.703 -27.050 -11.972 1.00 24.51 C ATOM 616 C SER A 155 21.035 -25.963 -12.807 1.00 14.42 C ATOM 617 O SER A 155 20.593 -26.209 -13.929 1.00 40.33 O ATOM 618 CB SER A 155 21.056 -28.405 -12.266 1.00 32.14 C ATOM 619 OG SER A 155 21.694 -29.443 -11.542 1.00 12.12 O ATOM 0 H SER A 155 20.662 -26.590 -10.211 1.00 74.34 H new ATOM 0 HA SER A 155 22.758 -27.093 -12.242 1.00 24.51 H new ATOM 0 HB2 SER A 155 19.999 -28.371 -12.004 1.00 32.14 H new ATOM 0 HB3 SER A 155 21.113 -28.614 -13.334 1.00 32.14 H new ATOM 0 HG SER A 155 21.261 -30.298 -11.746 1.00 12.12 H new ATOM 625 N VAL A 156 20.964 -24.758 -12.250 1.00 13.30 N ATOM 626 CA VAL A 156 20.350 -23.631 -12.942 1.00 42.41 C ATOM 627 C VAL A 156 21.073 -22.328 -12.619 1.00 42.21 C ATOM 628 O VAL A 156 21.646 -22.173 -11.540 1.00 71.32 O ATOM 629 CB VAL A 156 18.863 -23.485 -12.570 1.00 33.45 C ATOM 630 CG1 VAL A 156 18.188 -22.451 -13.458 1.00 60.51 C ATOM 631 CG2 VAL A 156 18.156 -24.829 -12.669 1.00 14.43 C ATOM 0 H VAL A 156 21.324 -24.537 -11.322 1.00 13.30 H new ATOM 0 HA VAL A 156 20.431 -23.834 -14.010 1.00 42.41 H new ATOM 0 HB VAL A 156 18.797 -23.140 -11.538 1.00 33.45 H new ATOM 0 HG11 VAL A 156 17.138 -22.362 -13.180 1.00 60.51 H new ATOM 0 HG12 VAL A 156 18.680 -21.486 -13.332 1.00 60.51 H new ATOM 0 HG13 VAL A 156 18.262 -22.762 -14.500 1.00 60.51 H new ATOM 0 HG21 VAL A 156 17.106 -24.708 -12.403 1.00 14.43 H new ATOM 0 HG22 VAL A 156 18.231 -25.205 -13.689 1.00 14.43 H new ATOM 0 HG23 VAL A 156 18.624 -25.538 -11.986 1.00 14.43 H new ATOM 641 N LYS A 157 21.043 -21.391 -13.561 1.00 73.43 N ATOM 642 CA LYS A 157 21.693 -20.099 -13.378 1.00 63.50 C ATOM 643 C LYS A 157 20.821 -18.970 -13.917 1.00 3.12 C ATOM 644 O LYS A 157 20.279 -19.061 -15.019 1.00 2.02 O ATOM 645 CB LYS A 157 23.054 -20.086 -14.079 1.00 32.42 C ATOM 646 CG LYS A 157 23.891 -21.324 -13.805 1.00 11.21 C ATOM 647 CD LYS A 157 25.377 -21.023 -13.897 1.00 5.11 C ATOM 648 CE LYS A 157 26.180 -22.274 -14.220 1.00 4.24 C ATOM 649 NZ LYS A 157 26.477 -23.073 -12.999 1.00 34.15 N ATOM 0 H LYS A 157 20.575 -21.503 -14.460 1.00 73.43 H new ATOM 0 HA LYS A 157 21.840 -19.942 -12.309 1.00 63.50 H new ATOM 0 HB2 LYS A 157 22.899 -19.993 -15.154 1.00 32.42 H new ATOM 0 HB3 LYS A 157 23.609 -19.204 -13.760 1.00 32.42 H new ATOM 0 HG2 LYS A 157 23.658 -21.710 -12.813 1.00 11.21 H new ATOM 0 HG3 LYS A 157 23.632 -22.105 -14.520 1.00 11.21 H new ATOM 0 HD2 LYS A 157 25.550 -20.270 -14.666 1.00 5.11 H new ATOM 0 HD3 LYS A 157 25.723 -20.601 -12.954 1.00 5.11 H new ATOM 0 HE2 LYS A 157 25.626 -22.888 -14.930 1.00 4.24 H new ATOM 0 HE3 LYS A 157 27.114 -21.991 -14.705 1.00 4.24 H new ATOM 0 HZ1 LYS A 157 27.025 -23.917 -13.261 1.00 34.15 H new ATOM 0 HZ2 LYS A 157 27.028 -22.496 -12.332 1.00 34.15 H new ATOM 0 HZ3 LYS A 157 25.586 -23.365 -12.550 1.00 34.15 H new ATOM 663 N THR A 158 20.691 -17.904 -13.133 1.00 53.23 N ATOM 664 CA THR A 158 19.885 -16.756 -13.532 1.00 22.53 C ATOM 665 C THR A 158 20.705 -15.472 -13.501 1.00 41.30 C ATOM 666 O THR A 158 21.876 -15.479 -13.120 1.00 30.21 O ATOM 667 CB THR A 158 18.656 -16.589 -12.619 1.00 75.32 C ATOM 668 OG1 THR A 158 19.072 -16.224 -11.299 1.00 34.14 O ATOM 669 CG2 THR A 158 17.844 -17.875 -12.563 1.00 42.15 C ATOM 0 H THR A 158 21.133 -17.812 -12.219 1.00 53.23 H new ATOM 0 HA THR A 158 19.548 -16.944 -14.551 1.00 22.53 H new ATOM 0 HB THR A 158 18.029 -15.800 -13.033 1.00 75.32 H new ATOM 0 HG1 THR A 158 18.966 -15.257 -11.178 1.00 34.14 H new ATOM 0 HG21 THR A 158 16.981 -17.733 -11.912 1.00 42.15 H new ATOM 0 HG22 THR A 158 17.503 -18.134 -13.565 1.00 42.15 H new ATOM 0 HG23 THR A 158 18.465 -18.681 -12.171 1.00 42.15 H new ATOM 677 N CYS A 159 20.083 -14.369 -13.904 1.00 1.31 N ATOM 678 CA CYS A 159 20.755 -13.075 -13.922 1.00 52.14 C ATOM 679 C CYS A 159 20.149 -12.132 -12.887 1.00 34.43 C ATOM 680 O CYS A 159 18.946 -12.171 -12.627 1.00 44.43 O ATOM 681 CB CYS A 159 20.661 -12.448 -15.315 1.00 63.20 C ATOM 682 SG CYS A 159 22.150 -12.684 -16.338 1.00 70.21 S ATOM 0 H CYS A 159 19.114 -14.345 -14.223 1.00 1.31 H new ATOM 0 HA CYS A 159 21.804 -13.235 -13.672 1.00 52.14 H new ATOM 0 HB2 CYS A 159 19.804 -12.874 -15.836 1.00 63.20 H new ATOM 0 HB3 CYS A 159 20.471 -11.380 -15.209 1.00 63.20 H new ATOM 687 N GLU A 160 20.990 -11.288 -12.299 1.00 2.40 N ATOM 688 CA GLU A 160 20.537 -10.336 -11.291 1.00 40.15 C ATOM 689 C GLU A 160 19.732 -9.208 -11.931 1.00 71.52 C ATOM 690 O GLU A 160 20.097 -8.692 -12.988 1.00 13.05 O ATOM 691 CB GLU A 160 21.732 -9.756 -10.531 1.00 72.52 C ATOM 692 CG GLU A 160 21.347 -9.035 -9.251 1.00 34.35 C ATOM 693 CD GLU A 160 22.459 -8.150 -8.722 1.00 72.32 C ATOM 694 OE1 GLU A 160 23.637 -8.551 -8.831 1.00 12.41 O ATOM 695 OE2 GLU A 160 22.152 -7.058 -8.200 1.00 73.42 O ATOM 0 H GLU A 160 21.988 -11.244 -12.503 1.00 2.40 H new ATOM 0 HA GLU A 160 19.893 -10.867 -10.590 1.00 40.15 H new ATOM 0 HB2 GLU A 160 22.424 -10.562 -10.290 1.00 72.52 H new ATOM 0 HB3 GLU A 160 22.264 -9.063 -11.182 1.00 72.52 H new ATOM 0 HG2 GLU A 160 20.460 -8.428 -9.433 1.00 34.35 H new ATOM 0 HG3 GLU A 160 21.080 -9.769 -8.491 1.00 34.35 H new ATOM 702 N VAL A 161 18.634 -8.832 -11.283 1.00 51.14 N ATOM 703 CA VAL A 161 17.777 -7.766 -11.788 1.00 14.24 C ATOM 704 C VAL A 161 17.128 -6.995 -10.643 1.00 52.14 C ATOM 705 O VAL A 161 17.151 -7.434 -9.494 1.00 3.30 O ATOM 706 CB VAL A 161 16.674 -8.321 -12.709 1.00 12.44 C ATOM 707 CG1 VAL A 161 17.279 -9.174 -13.812 1.00 61.53 C ATOM 708 CG2 VAL A 161 15.658 -9.117 -11.903 1.00 43.02 C ATOM 0 H VAL A 161 18.317 -9.249 -10.408 1.00 51.14 H new ATOM 0 HA VAL A 161 18.414 -7.092 -12.362 1.00 14.24 H new ATOM 0 HB VAL A 161 16.157 -7.482 -13.175 1.00 12.44 H new ATOM 0 HG11 VAL A 161 16.485 -9.557 -14.453 1.00 61.53 H new ATOM 0 HG12 VAL A 161 17.964 -8.569 -14.406 1.00 61.53 H new ATOM 0 HG13 VAL A 161 17.823 -10.009 -13.370 1.00 61.53 H new ATOM 0 HG21 VAL A 161 14.886 -9.502 -12.569 1.00 43.02 H new ATOM 0 HG22 VAL A 161 16.158 -9.950 -11.408 1.00 43.02 H new ATOM 0 HG23 VAL A 161 15.201 -8.471 -11.153 1.00 43.02 H new ATOM 718 N ALA A 162 16.548 -5.843 -10.967 1.00 25.33 N ATOM 719 CA ALA A 162 15.891 -5.012 -9.966 1.00 55.04 C ATOM 720 C ALA A 162 14.378 -5.017 -10.157 1.00 74.31 C ATOM 721 O ALA A 162 13.860 -4.429 -11.106 1.00 61.43 O ATOM 722 CB ALA A 162 16.427 -3.589 -10.027 1.00 30.52 C ATOM 0 H ALA A 162 16.520 -5.465 -11.914 1.00 25.33 H new ATOM 0 HA ALA A 162 16.109 -5.429 -8.983 1.00 55.04 H new ATOM 0 HB1 ALA A 162 15.927 -2.979 -9.274 1.00 30.52 H new ATOM 0 HB2 ALA A 162 17.500 -3.596 -9.835 1.00 30.52 H new ATOM 0 HB3 ALA A 162 16.238 -3.171 -11.016 1.00 30.52 H new ATOM 728 N ALA A 163 13.674 -5.686 -9.249 1.00 53.33 N ATOM 729 CA ALA A 163 12.220 -5.766 -9.317 1.00 70.23 C ATOM 730 C ALA A 163 11.614 -5.946 -7.929 1.00 45.14 C ATOM 731 O ALA A 163 12.320 -5.886 -6.922 1.00 74.31 O ATOM 732 CB ALA A 163 11.797 -6.906 -10.232 1.00 32.44 C ATOM 0 H ALA A 163 14.087 -6.180 -8.458 1.00 53.33 H new ATOM 0 HA ALA A 163 11.848 -4.827 -9.728 1.00 70.23 H new ATOM 0 HB1 ALA A 163 10.709 -6.954 -10.274 1.00 32.44 H new ATOM 0 HB2 ALA A 163 12.191 -6.734 -11.234 1.00 32.44 H new ATOM 0 HB3 ALA A 163 12.188 -7.847 -9.845 1.00 32.44 H new ATOM 738 N TRP A 164 10.305 -6.165 -7.884 1.00 65.22 N ATOM 739 CA TRP A 164 9.605 -6.353 -6.619 1.00 4.25 C ATOM 740 C TRP A 164 9.829 -7.760 -6.076 1.00 5.11 C ATOM 741 O TRP A 164 9.255 -8.728 -6.576 1.00 12.44 O ATOM 742 CB TRP A 164 8.108 -6.094 -6.797 1.00 5.01 C ATOM 743 CG TRP A 164 7.293 -6.470 -5.597 1.00 25.33 C ATOM 744 CD1 TRP A 164 6.188 -7.271 -5.575 1.00 73.53 C ATOM 745 CD2 TRP A 164 7.519 -6.059 -4.244 1.00 43.31 C ATOM 746 NE1 TRP A 164 5.713 -7.383 -4.291 1.00 15.32 N ATOM 747 CE2 TRP A 164 6.512 -6.649 -3.455 1.00 44.24 C ATOM 748 CE3 TRP A 164 8.475 -5.251 -3.622 1.00 41.02 C ATOM 749 CZ2 TRP A 164 6.436 -6.454 -2.079 1.00 33.31 C ATOM 750 CZ3 TRP A 164 8.397 -5.059 -2.256 1.00 5.30 C ATOM 751 CH2 TRP A 164 7.384 -5.659 -1.496 1.00 44.32 C ATOM 0 H TRP A 164 9.707 -6.217 -8.709 1.00 65.22 H new ATOM 0 HA TRP A 164 10.007 -5.639 -5.901 1.00 4.25 H new ATOM 0 HB2 TRP A 164 7.953 -5.038 -7.016 1.00 5.01 H new ATOM 0 HB3 TRP A 164 7.750 -6.654 -7.661 1.00 5.01 H new ATOM 0 HD1 TRP A 164 5.751 -7.747 -6.440 1.00 73.53 H new ATOM 0 HE1 TRP A 164 4.897 -7.925 -4.006 1.00 15.32 H new ATOM 0 HE3 TRP A 164 9.260 -4.785 -4.199 1.00 41.02 H new ATOM 0 HZ2 TRP A 164 5.655 -6.915 -1.492 1.00 33.31 H new ATOM 0 HZ3 TRP A 164 9.130 -4.435 -1.765 1.00 5.30 H new ATOM 0 HH2 TRP A 164 7.351 -5.490 -0.430 1.00 44.32 H new ATOM 762 N CYS A 165 10.668 -7.867 -5.050 1.00 72.55 N ATOM 763 CA CYS A 165 10.968 -9.157 -4.440 1.00 1.33 C ATOM 764 C CYS A 165 10.461 -9.209 -3.001 1.00 50.54 C ATOM 765 O CYS A 165 10.209 -8.183 -2.368 1.00 74.14 O ATOM 766 CB CYS A 165 12.475 -9.421 -4.471 1.00 11.54 C ATOM 767 SG CYS A 165 13.014 -10.494 -5.840 1.00 33.52 S ATOM 0 H CYS A 165 11.152 -7.076 -4.624 1.00 72.55 H new ATOM 0 HA CYS A 165 10.458 -9.930 -5.015 1.00 1.33 H new ATOM 0 HB2 CYS A 165 12.999 -8.468 -4.543 1.00 11.54 H new ATOM 0 HB3 CYS A 165 12.773 -9.878 -3.527 1.00 11.54 H new