USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 604 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 58 LYS NZ :NH3+ -175:sc= 0.0912 (180deg=-0.239) USER MOD Set 1.2: A 59 THR OG1 : rot 180:sc= 0.203 USER MOD Set 2.1: A 45 TYR OH : rot 180:sc= -0.28 USER MOD Set 2.2: A 48 THR OG1 : rot 84:sc= 0.764 USER MOD Set 3.1: A 9 TYR OH : rot 13:sc= 1.5 USER MOD Set 3.2: A 35 TYR OH : rot 0:sc= 0.498 USER MOD Single : A 1 MET CE :methyl 168:sc= -0.011 (180deg=-0.205) USER MOD Single : A 1 MET N :NH3+ 151:sc= 1.96 (180deg=1.13) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0194) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.627 F(o=-2!,f=-0.63) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0466 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -172:sc=-0.00793 (180deg=-0.0878) USER MOD Single : A 29 THR OG1 : rot -45:sc= -0.0555 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 38:sc= 0.343 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 160:sc= 0.0104 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.467 K(o=-0.47,f=-4.1!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ -113:sc= 0.926 (180deg=-0.0791) USER MOD Single : A 78 HIS : no HD1:sc= -0.0345 X(o=-0.034,f=-0.33) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= 0.419 K(o=0.42,f=-1.4) USER MOD Single : A 84 HIS : no HD1:sc= -0.0614 X(o=-0.061,f=-0.011) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 86 HIS : no HD1:sc= -0.0261 X(o=-0.026,f=-0.027) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.066 22.309 2.769 1.00 0.00 N ATOM 2 CA MET A 1 -5.336 22.889 1.611 1.00 52.33 C ATOM 3 C MET A 1 -5.335 21.901 0.418 1.00 65.45 C ATOM 4 O MET A 1 -6.039 22.115 -0.578 1.00 51.52 O ATOM 5 CB MET A 1 -3.880 23.275 2.012 1.00 51.21 C ATOM 6 CG MET A 1 -3.769 24.384 3.075 1.00 51.11 C ATOM 7 SD MET A 1 -4.503 23.928 4.666 1.00 12.35 S ATOM 8 CE MET A 1 -3.439 22.594 5.215 1.00 44.32 C ATOM 0 H1 MET A 1 -5.674 22.692 3.653 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.074 22.555 2.702 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.961 21.274 2.763 1.00 0.00 H new ATOM 0 HA MET A 1 -5.853 23.797 1.301 1.00 52.33 H new ATOM 0 HB2 MET A 1 -3.374 22.384 2.384 1.00 51.21 H new ATOM 0 HB3 MET A 1 -3.346 23.595 1.118 1.00 51.21 H new ATOM 0 HG2 MET A 1 -2.718 24.630 3.225 1.00 51.11 H new ATOM 0 HG3 MET A 1 -4.257 25.285 2.703 1.00 51.11 H new ATOM 0 HE1 MET A 1 -3.646 22.371 6.262 1.00 44.32 H new ATOM 0 HE2 MET A 1 -3.627 21.707 4.611 1.00 44.32 H new ATOM 0 HE3 MET A 1 -2.396 22.892 5.107 1.00 44.32 H new ATOM 20 N ASP A 2 -4.552 20.811 0.558 1.00 52.15 N ATOM 21 CA ASP A 2 -4.387 19.749 -0.462 1.00 64.53 C ATOM 22 C ASP A 2 -3.651 18.551 0.191 1.00 24.31 C ATOM 23 O ASP A 2 -2.428 18.555 0.349 1.00 34.41 O ATOM 24 CB ASP A 2 -3.659 20.271 -1.748 1.00 4.45 C ATOM 25 CG ASP A 2 -2.314 20.982 -1.480 1.00 74.13 C ATOM 26 OD1 ASP A 2 -2.329 22.154 -1.044 1.00 14.11 O ATOM 27 OD2 ASP A 2 -1.239 20.372 -1.694 1.00 10.14 O ATOM 0 H ASP A 2 -4.004 20.639 1.401 1.00 52.15 H new ATOM 0 HA ASP A 2 -5.368 19.421 -0.805 1.00 64.53 H new ATOM 0 HB2 ASP A 2 -3.483 19.429 -2.417 1.00 4.45 H new ATOM 0 HB3 ASP A 2 -4.322 20.961 -2.271 1.00 4.45 H new ATOM 32 N GLU A 3 -4.418 17.537 0.619 1.00 41.15 N ATOM 33 CA GLU A 3 -3.905 16.451 1.481 1.00 13.50 C ATOM 34 C GLU A 3 -3.412 15.262 0.624 1.00 33.42 C ATOM 35 O GLU A 3 -4.031 14.914 -0.383 1.00 24.02 O ATOM 36 CB GLU A 3 -5.013 15.982 2.476 1.00 41.13 C ATOM 37 CG GLU A 3 -5.483 17.042 3.517 1.00 61.43 C ATOM 38 CD GLU A 3 -6.263 18.233 2.914 1.00 30.32 C ATOM 39 OE1 GLU A 3 -7.349 18.013 2.340 1.00 14.01 O ATOM 40 OE2 GLU A 3 -5.784 19.394 2.990 1.00 64.42 O ATOM 0 H GLU A 3 -5.406 17.443 0.382 1.00 41.15 H new ATOM 0 HA GLU A 3 -3.060 16.834 2.053 1.00 13.50 H new ATOM 0 HB2 GLU A 3 -5.879 15.658 1.899 1.00 41.13 H new ATOM 0 HB3 GLU A 3 -4.645 15.109 3.015 1.00 41.13 H new ATOM 0 HG2 GLU A 3 -6.113 16.550 4.258 1.00 61.43 H new ATOM 0 HG3 GLU A 3 -4.610 17.426 4.045 1.00 61.43 H new ATOM 47 N ASP A 4 -2.292 14.645 1.030 1.00 61.33 N ATOM 48 CA ASP A 4 -1.709 13.477 0.329 1.00 13.21 C ATOM 49 C ASP A 4 -1.691 12.220 1.231 1.00 61.22 C ATOM 50 O ASP A 4 -1.685 12.328 2.454 1.00 62.03 O ATOM 51 CB ASP A 4 -0.281 13.817 -0.176 1.00 11.32 C ATOM 52 CG ASP A 4 0.676 14.257 0.950 1.00 62.50 C ATOM 53 OD1 ASP A 4 0.635 15.446 1.339 1.00 34.41 O ATOM 54 OD2 ASP A 4 1.459 13.420 1.451 1.00 3.32 O ATOM 0 H ASP A 4 -1.761 14.936 1.851 1.00 61.33 H new ATOM 0 HA ASP A 4 -2.341 13.248 -0.529 1.00 13.21 H new ATOM 0 HB2 ASP A 4 0.137 12.944 -0.678 1.00 11.32 H new ATOM 0 HB3 ASP A 4 -0.346 14.612 -0.919 1.00 11.32 H new ATOM 59 N ALA A 5 -1.688 11.035 0.602 1.00 13.52 N ATOM 60 CA ALA A 5 -1.616 9.728 1.298 1.00 65.44 C ATOM 61 C ALA A 5 -0.590 8.815 0.584 1.00 53.24 C ATOM 62 O ALA A 5 -0.605 8.699 -0.647 1.00 41.30 O ATOM 63 CB ALA A 5 -3.012 9.083 1.353 1.00 23.32 C ATOM 0 H ALA A 5 -1.736 10.949 -0.413 1.00 13.52 H new ATOM 0 HA ALA A 5 -1.280 9.874 2.325 1.00 65.44 H new ATOM 0 HB1 ALA A 5 -2.949 8.123 1.866 1.00 23.32 H new ATOM 0 HB2 ALA A 5 -3.695 9.739 1.893 1.00 23.32 H new ATOM 0 HB3 ALA A 5 -3.382 8.929 0.339 1.00 23.32 H new ATOM 69 N THR A 6 0.300 8.169 1.361 1.00 13.35 N ATOM 70 CA THR A 6 1.480 7.446 0.818 1.00 13.31 C ATOM 71 C THR A 6 1.355 5.918 1.029 1.00 52.23 C ATOM 72 O THR A 6 0.969 5.459 2.102 1.00 32.43 O ATOM 73 CB THR A 6 2.808 7.961 1.479 1.00 54.21 C ATOM 74 OG1 THR A 6 2.861 7.596 2.872 1.00 0.34 O ATOM 75 CG2 THR A 6 2.952 9.495 1.367 1.00 61.34 C ATOM 0 H THR A 6 0.228 8.130 2.378 1.00 13.35 H new ATOM 0 HA THR A 6 1.513 7.647 -0.253 1.00 13.31 H new ATOM 0 HB THR A 6 3.628 7.489 0.937 1.00 54.21 H new ATOM 0 HG1 THR A 6 3.697 7.925 3.265 1.00 0.34 H new ATOM 0 HG21 THR A 6 3.884 9.808 1.837 1.00 61.34 H new ATOM 0 HG22 THR A 6 2.961 9.784 0.316 1.00 61.34 H new ATOM 0 HG23 THR A 6 2.113 9.977 1.869 1.00 61.34 H new ATOM 83 N ILE A 7 1.691 5.136 -0.012 1.00 71.02 N ATOM 84 CA ILE A 7 1.637 3.657 0.023 1.00 45.21 C ATOM 85 C ILE A 7 3.075 3.089 -0.017 1.00 14.21 C ATOM 86 O ILE A 7 3.779 3.247 -1.011 1.00 24.40 O ATOM 87 CB ILE A 7 0.785 3.026 -1.163 1.00 22.23 C ATOM 88 CG1 ILE A 7 -0.702 3.535 -1.174 1.00 32.51 C ATOM 89 CG2 ILE A 7 0.806 1.474 -1.089 1.00 24.24 C ATOM 90 CD1 ILE A 7 -0.923 4.938 -1.725 1.00 52.14 C ATOM 0 H ILE A 7 2.009 5.510 -0.906 1.00 71.02 H new ATOM 0 HA ILE A 7 1.135 3.383 0.951 1.00 45.21 H new ATOM 0 HB ILE A 7 1.254 3.354 -2.091 1.00 22.23 H new ATOM 0 HG12 ILE A 7 -1.300 2.837 -1.761 1.00 32.51 H new ATOM 0 HG13 ILE A 7 -1.084 3.502 -0.154 1.00 32.51 H new ATOM 0 HG21 ILE A 7 0.217 1.063 -1.909 1.00 24.24 H new ATOM 0 HG22 ILE A 7 1.834 1.120 -1.167 1.00 24.24 H new ATOM 0 HG23 ILE A 7 0.381 1.149 -0.139 1.00 24.24 H new ATOM 0 HD11 ILE A 7 -1.984 5.182 -1.684 1.00 52.14 H new ATOM 0 HD12 ILE A 7 -0.362 5.656 -1.127 1.00 52.14 H new ATOM 0 HD13 ILE A 7 -0.581 4.981 -2.759 1.00 52.14 H new ATOM 102 N THR A 8 3.499 2.415 1.064 1.00 11.44 N ATOM 103 CA THR A 8 4.871 1.874 1.199 1.00 32.43 C ATOM 104 C THR A 8 4.854 0.329 1.201 1.00 20.22 C ATOM 105 O THR A 8 4.331 -0.297 2.130 1.00 54.34 O ATOM 106 CB THR A 8 5.554 2.394 2.515 1.00 31.43 C ATOM 107 OG1 THR A 8 5.519 3.833 2.537 1.00 24.11 O ATOM 108 CG2 THR A 8 7.025 1.925 2.643 1.00 72.13 C ATOM 0 H THR A 8 2.905 2.227 1.871 1.00 11.44 H new ATOM 0 HA THR A 8 5.447 2.222 0.342 1.00 32.43 H new ATOM 0 HB THR A 8 4.997 1.979 3.355 1.00 31.43 H new ATOM 0 HG1 THR A 8 5.943 4.158 3.358 1.00 24.11 H new ATOM 0 HG21 THR A 8 7.451 2.311 3.569 1.00 72.13 H new ATOM 0 HG22 THR A 8 7.060 0.836 2.654 1.00 72.13 H new ATOM 0 HG23 THR A 8 7.601 2.298 1.796 1.00 72.13 H new ATOM 116 N TYR A 9 5.420 -0.279 0.145 1.00 0.11 N ATOM 117 CA TYR A 9 5.638 -1.745 0.070 1.00 2.23 C ATOM 118 C TYR A 9 6.888 -2.136 0.895 1.00 1.52 C ATOM 119 O TYR A 9 7.902 -1.442 0.841 1.00 72.54 O ATOM 120 CB TYR A 9 5.801 -2.190 -1.410 1.00 41.01 C ATOM 121 CG TYR A 9 4.513 -2.060 -2.249 1.00 53.42 C ATOM 122 CD1 TYR A 9 4.013 -0.805 -2.631 1.00 13.50 C ATOM 123 CD2 TYR A 9 3.782 -3.191 -2.631 1.00 61.23 C ATOM 124 CE1 TYR A 9 2.846 -0.693 -3.359 1.00 44.52 C ATOM 125 CE2 TYR A 9 2.613 -3.078 -3.357 1.00 53.45 C ATOM 126 CZ TYR A 9 2.150 -1.828 -3.715 1.00 34.21 C ATOM 127 OH TYR A 9 0.985 -1.708 -4.429 1.00 44.42 O ATOM 0 H TYR A 9 5.741 0.225 -0.682 1.00 0.11 H new ATOM 0 HA TYR A 9 4.770 -2.254 0.488 1.00 2.23 H new ATOM 0 HB2 TYR A 9 6.586 -1.593 -1.874 1.00 41.01 H new ATOM 0 HB3 TYR A 9 6.134 -3.228 -1.432 1.00 41.01 H new ATOM 0 HD1 TYR A 9 4.551 0.088 -2.350 1.00 13.50 H new ATOM 0 HD2 TYR A 9 4.139 -4.171 -2.352 1.00 61.23 H new ATOM 0 HE1 TYR A 9 2.479 0.281 -3.649 1.00 44.52 H new ATOM 0 HE2 TYR A 9 2.064 -3.963 -3.643 1.00 53.45 H new ATOM 0 HH TYR A 9 0.905 -0.794 -4.773 1.00 44.42 H new ATOM 137 N VAL A 10 6.793 -3.235 1.677 1.00 12.14 N ATOM 138 CA VAL A 10 7.900 -3.731 2.547 1.00 33.43 C ATOM 139 C VAL A 10 7.987 -5.283 2.512 1.00 1.32 C ATOM 140 O VAL A 10 6.968 -5.953 2.412 1.00 3.12 O ATOM 141 CB VAL A 10 7.733 -3.241 4.044 1.00 55.44 C ATOM 142 CG1 VAL A 10 7.969 -1.716 4.181 1.00 21.24 C ATOM 143 CG2 VAL A 10 6.347 -3.629 4.612 1.00 72.54 C ATOM 0 H VAL A 10 5.950 -3.807 1.728 1.00 12.14 H new ATOM 0 HA VAL A 10 8.825 -3.314 2.150 1.00 33.43 H new ATOM 0 HB VAL A 10 8.498 -3.750 4.631 1.00 55.44 H new ATOM 0 HG11 VAL A 10 7.845 -1.421 5.223 1.00 21.24 H new ATOM 0 HG12 VAL A 10 8.980 -1.473 3.853 1.00 21.24 H new ATOM 0 HG13 VAL A 10 7.249 -1.179 3.564 1.00 21.24 H new ATOM 0 HG21 VAL A 10 6.264 -3.278 5.641 1.00 72.54 H new ATOM 0 HG22 VAL A 10 5.565 -3.169 4.008 1.00 72.54 H new ATOM 0 HG23 VAL A 10 6.234 -4.713 4.588 1.00 72.54 H new ATOM 153 N ASP A 11 9.216 -5.847 2.594 1.00 45.52 N ATOM 154 CA ASP A 11 9.449 -7.321 2.556 1.00 71.12 C ATOM 155 C ASP A 11 9.827 -7.871 3.951 1.00 74.55 C ATOM 156 O ASP A 11 10.788 -7.404 4.571 1.00 63.44 O ATOM 157 CB ASP A 11 10.570 -7.674 1.544 1.00 14.12 C ATOM 158 CG ASP A 11 10.884 -9.184 1.475 1.00 21.43 C ATOM 159 OD1 ASP A 11 9.953 -9.985 1.246 1.00 3.42 O ATOM 160 OD2 ASP A 11 12.057 -9.574 1.663 1.00 10.44 O ATOM 0 H ASP A 11 10.073 -5.301 2.688 1.00 45.52 H new ATOM 0 HA ASP A 11 8.515 -7.786 2.239 1.00 71.12 H new ATOM 0 HB2 ASP A 11 10.277 -7.326 0.553 1.00 14.12 H new ATOM 0 HB3 ASP A 11 11.477 -7.134 1.816 1.00 14.12 H new ATOM 165 N ASP A 12 9.086 -8.904 4.387 1.00 1.42 N ATOM 166 CA ASP A 12 9.249 -9.556 5.702 1.00 62.22 C ATOM 167 C ASP A 12 10.613 -10.276 5.827 1.00 41.35 C ATOM 168 O ASP A 12 11.258 -10.232 6.885 1.00 22.55 O ATOM 169 CB ASP A 12 8.079 -10.550 5.924 1.00 12.01 C ATOM 170 CG ASP A 12 8.055 -11.150 7.335 1.00 54.32 C ATOM 171 OD1 ASP A 12 7.658 -10.433 8.281 1.00 41.45 O ATOM 172 OD2 ASP A 12 8.430 -12.328 7.513 1.00 13.24 O ATOM 0 H ASP A 12 8.342 -9.319 3.826 1.00 1.42 H new ATOM 0 HA ASP A 12 9.230 -8.787 6.474 1.00 62.22 H new ATOM 0 HB2 ASP A 12 7.135 -10.037 5.738 1.00 12.01 H new ATOM 0 HB3 ASP A 12 8.153 -11.357 5.195 1.00 12.01 H new ATOM 177 N ASP A 13 11.055 -10.907 4.725 1.00 51.34 N ATOM 178 CA ASP A 13 12.328 -11.670 4.675 1.00 55.21 C ATOM 179 C ASP A 13 13.570 -10.749 4.530 1.00 52.51 C ATOM 180 O ASP A 13 14.705 -11.231 4.458 1.00 74.20 O ATOM 181 CB ASP A 13 12.272 -12.692 3.518 1.00 62.23 C ATOM 182 CG ASP A 13 11.190 -13.758 3.722 1.00 51.41 C ATOM 183 OD1 ASP A 13 10.034 -13.539 3.315 1.00 50.25 O ATOM 184 OD2 ASP A 13 11.494 -14.824 4.298 1.00 74.21 O ATOM 0 H ASP A 13 10.545 -10.906 3.842 1.00 51.34 H new ATOM 0 HA ASP A 13 12.438 -12.193 5.625 1.00 55.21 H new ATOM 0 HB2 ASP A 13 12.085 -12.165 2.582 1.00 62.23 H new ATOM 0 HB3 ASP A 13 13.242 -13.179 3.422 1.00 62.23 H new ATOM 189 N LYS A 14 13.344 -9.423 4.485 1.00 70.30 N ATOM 190 CA LYS A 14 14.423 -8.416 4.501 1.00 31.03 C ATOM 191 C LYS A 14 14.293 -7.516 5.770 1.00 12.14 C ATOM 192 O LYS A 14 14.877 -6.428 5.840 1.00 73.15 O ATOM 193 CB LYS A 14 14.367 -7.570 3.183 1.00 12.14 C ATOM 194 CG LYS A 14 15.698 -6.858 2.773 1.00 3.02 C ATOM 195 CD LYS A 14 16.640 -7.715 1.870 1.00 24.04 C ATOM 196 CE LYS A 14 17.245 -8.952 2.564 1.00 72.24 C ATOM 197 NZ LYS A 14 18.089 -8.600 3.738 1.00 63.45 N ATOM 0 H LYS A 14 12.409 -9.019 4.437 1.00 70.30 H new ATOM 0 HA LYS A 14 15.393 -8.911 4.546 1.00 31.03 H new ATOM 0 HB2 LYS A 14 14.061 -8.224 2.367 1.00 12.14 H new ATOM 0 HB3 LYS A 14 13.591 -6.813 3.293 1.00 12.14 H new ATOM 0 HG2 LYS A 14 15.454 -5.934 2.248 1.00 3.02 H new ATOM 0 HG3 LYS A 14 16.239 -6.578 3.677 1.00 3.02 H new ATOM 0 HD2 LYS A 14 16.081 -8.044 0.994 1.00 24.04 H new ATOM 0 HD3 LYS A 14 17.452 -7.082 1.512 1.00 24.04 H new ATOM 0 HE2 LYS A 14 16.440 -9.612 2.886 1.00 72.24 H new ATOM 0 HE3 LYS A 14 17.845 -9.509 1.845 1.00 72.24 H new ATOM 0 HZ1 LYS A 14 18.510 -9.464 4.134 1.00 63.45 H new ATOM 0 HZ2 LYS A 14 18.845 -7.952 3.440 1.00 63.45 H new ATOM 0 HZ3 LYS A 14 17.502 -8.138 4.461 1.00 63.45 H new ATOM 211 N GLY A 15 13.534 -8.007 6.778 1.00 44.35 N ATOM 212 CA GLY A 15 13.308 -7.272 8.039 1.00 32.21 C ATOM 213 C GLY A 15 12.383 -6.054 7.901 1.00 12.31 C ATOM 214 O GLY A 15 12.600 -5.022 8.549 1.00 33.30 O ATOM 0 H GLY A 15 13.067 -8.913 6.739 1.00 44.35 H new ATOM 0 HA2 GLY A 15 12.883 -7.956 8.774 1.00 32.21 H new ATOM 0 HA3 GLY A 15 14.270 -6.941 8.431 1.00 32.21 H new ATOM 218 N GLY A 16 11.345 -6.193 7.056 1.00 71.00 N ATOM 219 CA GLY A 16 10.383 -5.109 6.790 1.00 35.24 C ATOM 220 C GLY A 16 10.976 -3.941 5.980 1.00 53.30 C ATOM 221 O GLY A 16 10.568 -2.790 6.158 1.00 20.12 O ATOM 0 H GLY A 16 11.151 -7.053 6.542 1.00 71.00 H new ATOM 0 HA2 GLY A 16 9.529 -5.517 6.250 1.00 35.24 H new ATOM 0 HA3 GLY A 16 10.007 -4.727 7.739 1.00 35.24 H new ATOM 225 N ALA A 17 11.934 -4.247 5.078 1.00 14.41 N ATOM 226 CA ALA A 17 12.632 -3.224 4.252 1.00 23.33 C ATOM 227 C ALA A 17 11.822 -2.849 2.989 1.00 64.52 C ATOM 228 O ALA A 17 11.150 -3.700 2.412 1.00 33.42 O ATOM 229 CB ALA A 17 14.026 -3.731 3.858 1.00 1.15 C ATOM 0 H ALA A 17 12.247 -5.201 4.899 1.00 14.41 H new ATOM 0 HA ALA A 17 12.730 -2.322 4.856 1.00 23.33 H new ATOM 0 HB1 ALA A 17 14.530 -2.977 3.254 1.00 1.15 H new ATOM 0 HB2 ALA A 17 14.610 -3.925 4.758 1.00 1.15 H new ATOM 0 HB3 ALA A 17 13.929 -4.652 3.282 1.00 1.15 H new ATOM 235 N GLN A 18 11.934 -1.579 2.554 1.00 23.22 N ATOM 236 CA GLN A 18 11.144 -1.028 1.424 1.00 3.40 C ATOM 237 C GLN A 18 11.416 -1.772 0.081 1.00 13.33 C ATOM 238 O GLN A 18 12.561 -1.883 -0.367 1.00 13.12 O ATOM 239 CB GLN A 18 11.431 0.493 1.274 1.00 13.33 C ATOM 240 CG GLN A 18 10.714 1.179 0.083 1.00 51.42 C ATOM 241 CD GLN A 18 11.050 2.669 -0.046 1.00 35.02 C ATOM 242 OE1 GLN A 18 11.122 3.168 -1.263 1.00 42.23 O flip ATOM 243 NE2 GLN A 18 11.263 3.365 0.946 1.00 55.22 N flip ATOM 0 H GLN A 18 12.573 -0.903 2.972 1.00 23.22 H new ATOM 0 HA GLN A 18 10.090 -1.182 1.657 1.00 3.40 H new ATOM 0 HB2 GLN A 18 11.136 0.996 2.195 1.00 13.33 H new ATOM 0 HB3 GLN A 18 12.506 0.636 1.163 1.00 13.33 H new ATOM 0 HG2 GLN A 18 10.989 0.670 -0.841 1.00 51.42 H new ATOM 0 HG3 GLN A 18 9.636 1.065 0.201 1.00 51.42 H new ATOM 0 HE21 GLN A 18 11.201 2.956 1.879 1.00 55.22 H new ATOM 0 HE22 GLN A 18 11.501 4.351 0.836 1.00 55.22 H new ATOM 252 N VAL A 19 10.331 -2.268 -0.543 1.00 73.43 N ATOM 253 CA VAL A 19 10.369 -2.937 -1.862 1.00 75.02 C ATOM 254 C VAL A 19 10.120 -1.893 -2.973 1.00 72.35 C ATOM 255 O VAL A 19 9.009 -1.356 -3.093 1.00 65.20 O ATOM 256 CB VAL A 19 9.293 -4.089 -1.962 1.00 54.24 C ATOM 257 CG1 VAL A 19 9.356 -4.818 -3.328 1.00 50.24 C ATOM 258 CG2 VAL A 19 9.443 -5.091 -0.803 1.00 20.34 C ATOM 0 H VAL A 19 9.394 -2.216 -0.144 1.00 73.43 H new ATOM 0 HA VAL A 19 11.353 -3.389 -1.986 1.00 75.02 H new ATOM 0 HB VAL A 19 8.312 -3.620 -1.884 1.00 54.24 H new ATOM 0 HG11 VAL A 19 8.600 -5.603 -3.357 1.00 50.24 H new ATOM 0 HG12 VAL A 19 9.169 -4.104 -4.130 1.00 50.24 H new ATOM 0 HG13 VAL A 19 10.344 -5.260 -3.459 1.00 50.24 H new ATOM 0 HG21 VAL A 19 8.689 -5.873 -0.898 1.00 20.34 H new ATOM 0 HG22 VAL A 19 10.436 -5.539 -0.835 1.00 20.34 H new ATOM 0 HG23 VAL A 19 9.310 -4.572 0.146 1.00 20.34 H new ATOM 268 N GLY A 20 11.169 -1.598 -3.756 1.00 14.22 N ATOM 269 CA GLY A 20 11.081 -0.645 -4.864 1.00 12.25 C ATOM 270 C GLY A 20 10.981 0.816 -4.403 1.00 62.11 C ATOM 271 O GLY A 20 11.972 1.397 -3.943 1.00 21.33 O ATOM 0 H GLY A 20 12.094 -2.012 -3.637 1.00 14.22 H new ATOM 0 HA2 GLY A 20 11.958 -0.758 -5.502 1.00 12.25 H new ATOM 0 HA3 GLY A 20 10.210 -0.887 -5.473 1.00 12.25 H new ATOM 275 N ASP A 21 9.768 1.393 -4.480 1.00 44.23 N ATOM 276 CA ASP A 21 9.538 2.831 -4.220 1.00 62.42 C ATOM 277 C ASP A 21 8.115 3.083 -3.650 1.00 41.04 C ATOM 278 O ASP A 21 7.196 2.280 -3.852 1.00 20.13 O ATOM 279 CB ASP A 21 9.780 3.625 -5.534 1.00 51.34 C ATOM 280 CG ASP A 21 9.732 5.151 -5.362 1.00 1.41 C ATOM 281 OD1 ASP A 21 10.540 5.689 -4.580 1.00 63.41 O ATOM 282 OD2 ASP A 21 8.892 5.816 -5.998 1.00 2.42 O ATOM 0 H ASP A 21 8.921 0.880 -4.723 1.00 44.23 H new ATOM 0 HA ASP A 21 10.239 3.178 -3.461 1.00 62.42 H new ATOM 0 HB2 ASP A 21 10.752 3.346 -5.941 1.00 51.34 H new ATOM 0 HB3 ASP A 21 9.031 3.329 -6.268 1.00 51.34 H new ATOM 287 N ILE A 22 7.962 4.209 -2.919 1.00 54.31 N ATOM 288 CA ILE A 22 6.684 4.626 -2.293 1.00 73.12 C ATOM 289 C ILE A 22 5.758 5.330 -3.328 1.00 4.44 C ATOM 290 O ILE A 22 6.221 6.112 -4.165 1.00 32.42 O ATOM 291 CB ILE A 22 6.955 5.576 -1.058 1.00 12.51 C ATOM 292 CG1 ILE A 22 7.858 4.852 -0.005 1.00 55.40 C ATOM 293 CG2 ILE A 22 5.635 6.074 -0.406 1.00 21.31 C ATOM 294 CD1 ILE A 22 8.284 5.706 1.180 1.00 74.12 C ATOM 0 H ILE A 22 8.727 4.861 -2.744 1.00 54.31 H new ATOM 0 HA ILE A 22 6.175 3.730 -1.938 1.00 73.12 H new ATOM 0 HB ILE A 22 7.481 6.457 -1.427 1.00 12.51 H new ATOM 0 HG12 ILE A 22 7.323 3.980 0.370 1.00 55.40 H new ATOM 0 HG13 ILE A 22 8.753 4.485 -0.508 1.00 55.40 H new ATOM 0 HG21 ILE A 22 5.868 6.723 0.438 1.00 21.31 H new ATOM 0 HG22 ILE A 22 5.053 6.630 -1.141 1.00 21.31 H new ATOM 0 HG23 ILE A 22 5.056 5.219 -0.057 1.00 21.31 H new ATOM 0 HD11 ILE A 22 8.906 5.113 1.851 1.00 74.12 H new ATOM 0 HD12 ILE A 22 8.852 6.565 0.824 1.00 74.12 H new ATOM 0 HD13 ILE A 22 7.400 6.052 1.716 1.00 74.12 H new ATOM 306 N VAL A 23 4.451 5.032 -3.258 1.00 44.13 N ATOM 307 CA VAL A 23 3.419 5.596 -4.159 1.00 41.11 C ATOM 308 C VAL A 23 2.587 6.676 -3.415 1.00 54.34 C ATOM 309 O VAL A 23 1.734 6.344 -2.602 1.00 11.42 O ATOM 310 CB VAL A 23 2.457 4.453 -4.680 1.00 11.24 C ATOM 311 CG1 VAL A 23 1.417 4.994 -5.693 1.00 73.41 C ATOM 312 CG2 VAL A 23 3.262 3.267 -5.271 1.00 75.33 C ATOM 0 H VAL A 23 4.071 4.385 -2.567 1.00 44.13 H new ATOM 0 HA VAL A 23 3.922 6.054 -5.011 1.00 41.11 H new ATOM 0 HB VAL A 23 1.901 4.079 -3.820 1.00 11.24 H new ATOM 0 HG11 VAL A 23 0.776 4.178 -6.027 1.00 73.41 H new ATOM 0 HG12 VAL A 23 0.809 5.762 -5.215 1.00 73.41 H new ATOM 0 HG13 VAL A 23 1.934 5.423 -6.551 1.00 73.41 H new ATOM 0 HG21 VAL A 23 2.573 2.498 -5.620 1.00 75.33 H new ATOM 0 HG22 VAL A 23 3.867 3.619 -6.106 1.00 75.33 H new ATOM 0 HG23 VAL A 23 3.912 2.850 -4.502 1.00 75.33 H new ATOM 322 N THR A 24 2.853 7.964 -3.676 1.00 3.21 N ATOM 323 CA THR A 24 2.068 9.083 -3.077 1.00 3.22 C ATOM 324 C THR A 24 0.936 9.541 -4.034 1.00 52.21 C ATOM 325 O THR A 24 1.139 9.655 -5.250 1.00 31.41 O ATOM 326 CB THR A 24 2.979 10.313 -2.730 1.00 53.01 C ATOM 327 OG1 THR A 24 4.085 9.888 -1.912 1.00 55.20 O ATOM 328 CG2 THR A 24 2.212 11.427 -1.984 1.00 13.14 C ATOM 0 H THR A 24 3.603 8.269 -4.296 1.00 3.21 H new ATOM 0 HA THR A 24 1.632 8.702 -2.154 1.00 3.22 H new ATOM 0 HB THR A 24 3.331 10.721 -3.677 1.00 53.01 H new ATOM 0 HG1 THR A 24 4.651 10.660 -1.700 1.00 55.20 H new ATOM 0 HG21 THR A 24 2.889 12.253 -1.768 1.00 13.14 H new ATOM 0 HG22 THR A 24 1.391 11.783 -2.607 1.00 13.14 H new ATOM 0 HG23 THR A 24 1.813 11.031 -1.050 1.00 13.14 H new ATOM 336 N VAL A 25 -0.257 9.802 -3.466 1.00 64.22 N ATOM 337 CA VAL A 25 -1.420 10.367 -4.201 1.00 31.23 C ATOM 338 C VAL A 25 -1.908 11.670 -3.508 1.00 53.11 C ATOM 339 O VAL A 25 -1.955 11.732 -2.283 1.00 51.51 O ATOM 340 CB VAL A 25 -2.601 9.311 -4.311 1.00 43.21 C ATOM 341 CG1 VAL A 25 -2.216 8.129 -5.238 1.00 12.22 C ATOM 342 CG2 VAL A 25 -3.037 8.785 -2.920 1.00 33.43 C ATOM 0 H VAL A 25 -0.449 9.628 -2.479 1.00 64.22 H new ATOM 0 HA VAL A 25 -1.099 10.607 -5.215 1.00 31.23 H new ATOM 0 HB VAL A 25 -3.450 9.833 -4.752 1.00 43.21 H new ATOM 0 HG11 VAL A 25 -3.045 7.424 -5.292 1.00 12.22 H new ATOM 0 HG12 VAL A 25 -1.995 8.507 -6.236 1.00 12.22 H new ATOM 0 HG13 VAL A 25 -1.336 7.624 -4.838 1.00 12.22 H new ATOM 0 HG21 VAL A 25 -3.847 8.065 -3.041 1.00 33.43 H new ATOM 0 HG22 VAL A 25 -2.191 8.301 -2.432 1.00 33.43 H new ATOM 0 HG23 VAL A 25 -3.381 9.618 -2.307 1.00 33.43 H new ATOM 352 N THR A 26 -2.285 12.705 -4.296 1.00 73.52 N ATOM 353 CA THR A 26 -2.670 14.047 -3.752 1.00 4.12 C ATOM 354 C THR A 26 -4.118 14.437 -4.162 1.00 73.53 C ATOM 355 O THR A 26 -4.525 14.256 -5.314 1.00 41.22 O ATOM 356 CB THR A 26 -1.662 15.168 -4.215 1.00 30.13 C ATOM 357 OG1 THR A 26 -0.329 14.841 -3.767 1.00 14.11 O ATOM 358 CG2 THR A 26 -2.035 16.572 -3.681 1.00 41.15 C ATOM 0 H THR A 26 -2.333 12.645 -5.313 1.00 73.52 H new ATOM 0 HA THR A 26 -2.628 13.969 -2.666 1.00 4.12 H new ATOM 0 HB THR A 26 -1.711 15.203 -5.303 1.00 30.13 H new ATOM 0 HG1 THR A 26 0.294 15.539 -4.058 1.00 14.11 H new ATOM 0 HG21 THR A 26 -1.305 17.301 -4.033 1.00 41.15 H new ATOM 0 HG22 THR A 26 -3.026 16.847 -4.042 1.00 41.15 H new ATOM 0 HG23 THR A 26 -2.037 16.558 -2.591 1.00 41.15 H new ATOM 366 N GLY A 27 -4.875 14.972 -3.184 1.00 60.24 N ATOM 367 CA GLY A 27 -6.277 15.375 -3.367 1.00 32.43 C ATOM 368 C GLY A 27 -6.815 16.144 -2.151 1.00 23.11 C ATOM 369 O GLY A 27 -6.148 17.059 -1.658 1.00 31.50 O ATOM 0 H GLY A 27 -4.525 15.136 -2.240 1.00 60.24 H new ATOM 0 HA2 GLY A 27 -6.362 15.998 -4.257 1.00 32.43 H new ATOM 0 HA3 GLY A 27 -6.890 14.490 -3.537 1.00 32.43 H new ATOM 373 N LYS A 28 -8.029 15.791 -1.666 1.00 4.32 N ATOM 374 CA LYS A 28 -8.658 16.438 -0.474 1.00 24.11 C ATOM 375 C LYS A 28 -9.281 15.383 0.470 1.00 51.02 C ATOM 376 O LYS A 28 -9.706 14.319 0.021 1.00 65.10 O ATOM 377 CB LYS A 28 -9.755 17.457 -0.904 1.00 73.01 C ATOM 378 CG LYS A 28 -9.254 18.673 -1.726 1.00 11.34 C ATOM 379 CD LYS A 28 -8.310 19.605 -0.930 1.00 24.34 C ATOM 380 CE LYS A 28 -8.996 20.273 0.276 1.00 32.14 C ATOM 381 NZ LYS A 28 -10.158 21.108 -0.131 1.00 73.14 N ATOM 0 H LYS A 28 -8.602 15.056 -2.081 1.00 4.32 H new ATOM 0 HA LYS A 28 -7.868 16.968 0.059 1.00 24.11 H new ATOM 0 HB2 LYS A 28 -10.506 16.929 -1.491 1.00 73.01 H new ATOM 0 HB3 LYS A 28 -10.253 17.827 -0.008 1.00 73.01 H new ATOM 0 HG2 LYS A 28 -8.734 18.313 -2.613 1.00 11.34 H new ATOM 0 HG3 LYS A 28 -10.113 19.248 -2.072 1.00 11.34 H new ATOM 0 HD2 LYS A 28 -7.452 19.031 -0.580 1.00 24.34 H new ATOM 0 HD3 LYS A 28 -7.926 20.378 -1.596 1.00 24.34 H new ATOM 0 HE2 LYS A 28 -9.329 19.505 0.974 1.00 32.14 H new ATOM 0 HE3 LYS A 28 -8.273 20.893 0.806 1.00 32.14 H new ATOM 0 HZ1 LYS A 28 -10.505 21.644 0.690 1.00 73.14 H new ATOM 0 HZ2 LYS A 28 -9.865 21.770 -0.878 1.00 73.14 H new ATOM 0 HZ3 LYS A 28 -10.917 20.495 -0.490 1.00 73.14 H new ATOM 395 N THR A 29 -9.338 15.706 1.781 1.00 11.55 N ATOM 396 CA THR A 29 -9.916 14.820 2.836 1.00 44.43 C ATOM 397 C THR A 29 -11.402 14.439 2.568 1.00 0.15 C ATOM 398 O THR A 29 -11.853 13.353 2.958 1.00 52.32 O ATOM 399 CB THR A 29 -9.786 15.496 4.251 1.00 71.31 C ATOM 400 OG1 THR A 29 -8.417 15.867 4.489 1.00 44.13 O ATOM 401 CG2 THR A 29 -10.250 14.582 5.406 1.00 15.22 C ATOM 0 H THR A 29 -8.985 16.590 2.147 1.00 11.55 H new ATOM 0 HA THR A 29 -9.340 13.895 2.811 1.00 44.43 H new ATOM 0 HB THR A 29 -10.437 16.370 4.235 1.00 71.31 H new ATOM 0 HG1 THR A 29 -7.828 15.127 4.232 1.00 44.13 H new ATOM 0 HG21 THR A 29 -10.135 15.107 6.354 1.00 15.22 H new ATOM 0 HG22 THR A 29 -11.298 14.318 5.262 1.00 15.22 H new ATOM 0 HG23 THR A 29 -9.645 13.675 5.418 1.00 15.22 H new ATOM 409 N ASP A 30 -12.148 15.341 1.889 1.00 14.32 N ATOM 410 CA ASP A 30 -13.588 15.150 1.571 1.00 60.13 C ATOM 411 C ASP A 30 -13.846 13.909 0.669 1.00 33.45 C ATOM 412 O ASP A 30 -14.889 13.248 0.787 1.00 5.43 O ATOM 413 CB ASP A 30 -14.148 16.433 0.899 1.00 42.10 C ATOM 414 CG ASP A 30 -15.668 16.371 0.647 1.00 51.34 C ATOM 415 OD1 ASP A 30 -16.445 16.613 1.592 1.00 20.23 O ATOM 416 OD2 ASP A 30 -16.094 16.081 -0.494 1.00 13.20 O ATOM 0 H ASP A 30 -11.771 16.224 1.544 1.00 14.32 H new ATOM 0 HA ASP A 30 -14.108 14.965 2.511 1.00 60.13 H new ATOM 0 HB2 ASP A 30 -13.925 17.293 1.530 1.00 42.10 H new ATOM 0 HB3 ASP A 30 -13.635 16.593 -0.049 1.00 42.10 H new ATOM 421 N ASP A 31 -12.892 13.606 -0.226 1.00 35.21 N ATOM 422 CA ASP A 31 -13.005 12.493 -1.197 1.00 21.32 C ATOM 423 C ASP A 31 -11.949 11.395 -0.940 1.00 41.44 C ATOM 424 O ASP A 31 -10.877 11.647 -0.380 1.00 10.43 O ATOM 425 CB ASP A 31 -12.903 13.046 -2.642 1.00 40.31 C ATOM 426 CG ASP A 31 -11.592 13.806 -2.920 1.00 75.34 C ATOM 427 OD1 ASP A 31 -11.444 14.946 -2.438 1.00 45.03 O ATOM 428 OD2 ASP A 31 -10.713 13.276 -3.634 1.00 71.34 O ATOM 0 H ASP A 31 -12.017 14.124 -0.301 1.00 35.21 H new ATOM 0 HA ASP A 31 -13.980 12.024 -1.067 1.00 21.32 H new ATOM 0 HB2 ASP A 31 -12.990 12.218 -3.346 1.00 40.31 H new ATOM 0 HB3 ASP A 31 -13.746 13.712 -2.828 1.00 40.31 H new ATOM 433 N SER A 32 -12.285 10.166 -1.350 1.00 33.24 N ATOM 434 CA SER A 32 -11.409 8.984 -1.209 1.00 63.12 C ATOM 435 C SER A 32 -10.998 8.424 -2.593 1.00 41.45 C ATOM 436 O SER A 32 -11.755 8.520 -3.567 1.00 12.01 O ATOM 437 CB SER A 32 -12.134 7.892 -0.384 1.00 23.02 C ATOM 438 OG SER A 32 -13.363 7.502 -0.985 1.00 45.34 O ATOM 0 H SER A 32 -13.179 9.956 -1.794 1.00 33.24 H new ATOM 0 HA SER A 32 -10.501 9.289 -0.688 1.00 63.12 H new ATOM 0 HB2 SER A 32 -11.486 7.021 -0.285 1.00 23.02 H new ATOM 0 HB3 SER A 32 -12.324 8.264 0.623 1.00 23.02 H new ATOM 0 HG SER A 32 -13.790 6.811 -0.437 1.00 45.34 H new ATOM 444 N THR A 33 -9.786 7.844 -2.659 1.00 4.54 N ATOM 445 CA THR A 33 -9.262 7.133 -3.860 1.00 2.33 C ATOM 446 C THR A 33 -9.040 5.630 -3.548 1.00 1.34 C ATOM 447 O THR A 33 -8.556 5.276 -2.472 1.00 42.34 O ATOM 448 CB THR A 33 -7.919 7.771 -4.374 1.00 11.25 C ATOM 449 OG1 THR A 33 -7.451 7.085 -5.554 1.00 62.51 O ATOM 450 CG2 THR A 33 -6.810 7.759 -3.298 1.00 22.24 C ATOM 0 H THR A 33 -9.130 7.851 -1.878 1.00 4.54 H new ATOM 0 HA THR A 33 -10.009 7.233 -4.647 1.00 2.33 H new ATOM 0 HB THR A 33 -8.139 8.811 -4.614 1.00 11.25 H new ATOM 0 HG1 THR A 33 -6.616 7.496 -5.861 1.00 62.51 H new ATOM 0 HG21 THR A 33 -5.905 8.210 -3.704 1.00 22.24 H new ATOM 0 HG22 THR A 33 -7.141 8.327 -2.428 1.00 22.24 H new ATOM 0 HG23 THR A 33 -6.602 6.731 -3.002 1.00 22.24 H new ATOM 458 N THR A 34 -9.404 4.744 -4.485 1.00 51.14 N ATOM 459 CA THR A 34 -9.182 3.284 -4.331 1.00 32.22 C ATOM 460 C THR A 34 -7.960 2.850 -5.174 1.00 24.34 C ATOM 461 O THR A 34 -8.010 2.844 -6.411 1.00 73.11 O ATOM 462 CB THR A 34 -10.453 2.446 -4.717 1.00 60.32 C ATOM 463 OG1 THR A 34 -10.870 2.741 -6.065 1.00 5.35 O ATOM 464 CG2 THR A 34 -11.626 2.711 -3.750 1.00 44.42 C ATOM 0 H THR A 34 -9.855 5.005 -5.362 1.00 51.14 H new ATOM 0 HA THR A 34 -8.983 3.085 -3.278 1.00 32.22 H new ATOM 0 HB THR A 34 -10.175 1.394 -4.645 1.00 60.32 H new ATOM 0 HG1 THR A 34 -10.080 2.859 -6.633 1.00 5.35 H new ATOM 0 HG21 THR A 34 -12.487 2.113 -4.050 1.00 44.42 H new ATOM 0 HG22 THR A 34 -11.331 2.439 -2.737 1.00 44.42 H new ATOM 0 HG23 THR A 34 -11.890 3.768 -3.780 1.00 44.42 H new ATOM 472 N TYR A 35 -6.856 2.509 -4.482 1.00 51.03 N ATOM 473 CA TYR A 35 -5.563 2.157 -5.113 1.00 71.14 C ATOM 474 C TYR A 35 -5.469 0.633 -5.362 1.00 63.31 C ATOM 475 O TYR A 35 -5.755 -0.170 -4.468 1.00 1.23 O ATOM 476 CB TYR A 35 -4.390 2.644 -4.208 1.00 14.15 C ATOM 477 CG TYR A 35 -2.987 2.171 -4.642 1.00 30.24 C ATOM 478 CD1 TYR A 35 -2.377 2.668 -5.801 1.00 72.14 C ATOM 479 CD2 TYR A 35 -2.283 1.206 -3.904 1.00 73.03 C ATOM 480 CE1 TYR A 35 -1.129 2.226 -6.200 1.00 51.23 C ATOM 481 CE2 TYR A 35 -1.040 0.764 -4.306 1.00 73.32 C ATOM 482 CZ TYR A 35 -0.468 1.275 -5.452 1.00 52.10 C ATOM 483 OH TYR A 35 0.769 0.826 -5.858 1.00 33.34 O ATOM 0 H TYR A 35 -6.833 2.469 -3.463 1.00 51.03 H new ATOM 0 HA TYR A 35 -5.494 2.655 -6.080 1.00 71.14 H new ATOM 0 HB2 TYR A 35 -4.398 3.734 -4.185 1.00 14.15 H new ATOM 0 HB3 TYR A 35 -4.572 2.303 -3.189 1.00 14.15 H new ATOM 0 HD1 TYR A 35 -2.891 3.410 -6.394 1.00 72.14 H new ATOM 0 HD2 TYR A 35 -2.723 0.802 -3.004 1.00 73.03 H new ATOM 0 HE1 TYR A 35 -0.674 2.624 -7.095 1.00 51.23 H new ATOM 0 HE2 TYR A 35 -0.516 0.020 -3.725 1.00 73.32 H new ATOM 0 HH TYR A 35 1.026 1.280 -6.687 1.00 33.34 H new ATOM 493 N THR A 36 -5.041 0.249 -6.576 1.00 42.04 N ATOM 494 CA THR A 36 -4.826 -1.170 -6.949 1.00 72.55 C ATOM 495 C THR A 36 -3.426 -1.657 -6.488 1.00 3.44 C ATOM 496 O THR A 36 -2.399 -1.058 -6.834 1.00 14.10 O ATOM 497 CB THR A 36 -5.018 -1.406 -8.493 1.00 54.21 C ATOM 498 OG1 THR A 36 -4.687 -2.765 -8.839 1.00 51.52 O ATOM 499 CG2 THR A 36 -4.197 -0.425 -9.363 1.00 24.31 C ATOM 0 H THR A 36 -4.833 0.906 -7.328 1.00 42.04 H new ATOM 0 HA THR A 36 -5.584 -1.759 -6.432 1.00 72.55 H new ATOM 0 HB THR A 36 -6.070 -1.216 -8.706 1.00 54.21 H new ATOM 0 HG1 THR A 36 -4.813 -2.897 -9.802 1.00 51.52 H new ATOM 0 HG21 THR A 36 -4.372 -0.639 -10.417 1.00 24.31 H new ATOM 0 HG22 THR A 36 -4.503 0.598 -9.145 1.00 24.31 H new ATOM 0 HG23 THR A 36 -3.136 -0.542 -9.141 1.00 24.31 H new ATOM 507 N VAL A 37 -3.398 -2.743 -5.694 1.00 4.13 N ATOM 508 CA VAL A 37 -2.156 -3.287 -5.101 1.00 42.43 C ATOM 509 C VAL A 37 -1.339 -4.067 -6.167 1.00 62.25 C ATOM 510 O VAL A 37 -1.858 -4.978 -6.817 1.00 41.43 O ATOM 511 CB VAL A 37 -2.470 -4.216 -3.864 1.00 60.23 C ATOM 512 CG1 VAL A 37 -1.174 -4.686 -3.156 1.00 22.15 C ATOM 513 CG2 VAL A 37 -3.428 -3.518 -2.864 1.00 34.04 C ATOM 0 H VAL A 37 -4.234 -3.270 -5.444 1.00 4.13 H new ATOM 0 HA VAL A 37 -1.560 -2.445 -4.748 1.00 42.43 H new ATOM 0 HB VAL A 37 -2.974 -5.103 -4.248 1.00 60.23 H new ATOM 0 HG11 VAL A 37 -1.432 -5.323 -2.310 1.00 22.15 H new ATOM 0 HG12 VAL A 37 -0.559 -5.248 -3.859 1.00 22.15 H new ATOM 0 HG13 VAL A 37 -0.618 -3.818 -2.800 1.00 22.15 H new ATOM 0 HG21 VAL A 37 -3.625 -4.184 -2.024 1.00 34.04 H new ATOM 0 HG22 VAL A 37 -2.968 -2.600 -2.500 1.00 34.04 H new ATOM 0 HG23 VAL A 37 -4.366 -3.279 -3.365 1.00 34.04 H new ATOM 523 N THR A 38 -0.054 -3.705 -6.315 1.00 44.14 N ATOM 524 CA THR A 38 0.833 -4.212 -7.384 1.00 34.04 C ATOM 525 C THR A 38 1.958 -5.076 -6.771 1.00 12.23 C ATOM 526 O THR A 38 2.876 -4.544 -6.145 1.00 34.54 O ATOM 527 CB THR A 38 1.458 -3.015 -8.190 1.00 33.12 C ATOM 528 OG1 THR A 38 0.417 -2.109 -8.599 1.00 55.41 O ATOM 529 CG2 THR A 38 2.232 -3.494 -9.437 1.00 70.04 C ATOM 0 H THR A 38 0.407 -3.044 -5.690 1.00 44.14 H new ATOM 0 HA THR A 38 0.243 -4.824 -8.066 1.00 34.04 H new ATOM 0 HB THR A 38 2.164 -2.511 -7.530 1.00 33.12 H new ATOM 0 HG1 THR A 38 0.810 -1.364 -9.099 1.00 55.41 H new ATOM 0 HG21 THR A 38 2.646 -2.633 -9.962 1.00 70.04 H new ATOM 0 HG22 THR A 38 3.042 -4.156 -9.130 1.00 70.04 H new ATOM 0 HG23 THR A 38 1.555 -4.032 -10.101 1.00 70.04 H new ATOM 537 N ILE A 39 1.865 -6.411 -6.936 1.00 52.33 N ATOM 538 CA ILE A 39 2.820 -7.369 -6.324 1.00 31.20 C ATOM 539 C ILE A 39 4.005 -7.673 -7.297 1.00 11.04 C ATOM 540 O ILE A 39 3.793 -8.292 -8.346 1.00 61.22 O ATOM 541 CB ILE A 39 2.094 -8.713 -5.912 1.00 54.41 C ATOM 542 CG1 ILE A 39 0.791 -8.417 -5.090 1.00 45.53 C ATOM 543 CG2 ILE A 39 3.048 -9.646 -5.116 1.00 40.42 C ATOM 544 CD1 ILE A 39 1.004 -7.613 -3.817 1.00 20.43 C ATOM 0 H ILE A 39 1.134 -6.857 -7.491 1.00 52.33 H new ATOM 0 HA ILE A 39 3.220 -6.905 -5.423 1.00 31.20 H new ATOM 0 HB ILE A 39 1.808 -9.230 -6.828 1.00 54.41 H new ATOM 0 HG12 ILE A 39 0.091 -7.879 -5.729 1.00 45.53 H new ATOM 0 HG13 ILE A 39 0.321 -9.365 -4.829 1.00 45.53 H new ATOM 0 HG21 ILE A 39 2.521 -10.561 -4.847 1.00 40.42 H new ATOM 0 HG22 ILE A 39 3.913 -9.893 -5.732 1.00 40.42 H new ATOM 0 HG23 ILE A 39 3.381 -9.139 -4.210 1.00 40.42 H new ATOM 0 HD11 ILE A 39 0.047 -7.460 -3.319 1.00 20.43 H new ATOM 0 HD12 ILE A 39 1.676 -8.156 -3.152 1.00 20.43 H new ATOM 0 HD13 ILE A 39 1.442 -6.647 -4.066 1.00 20.43 H new ATOM 556 N PRO A 40 5.264 -7.218 -6.980 1.00 42.15 N ATOM 557 CA PRO A 40 6.453 -7.446 -7.858 1.00 13.13 C ATOM 558 C PRO A 40 6.988 -8.914 -7.839 1.00 12.23 C ATOM 559 O PRO A 40 6.669 -9.705 -6.935 1.00 45.32 O ATOM 560 CB PRO A 40 7.497 -6.446 -7.290 1.00 63.35 C ATOM 561 CG PRO A 40 7.136 -6.321 -5.836 1.00 25.53 C ATOM 562 CD PRO A 40 5.624 -6.423 -5.771 1.00 63.43 C ATOM 0 HA PRO A 40 6.214 -7.290 -8.910 1.00 13.13 H new ATOM 0 HB2 PRO A 40 8.514 -6.817 -7.417 1.00 63.35 H new ATOM 0 HB3 PRO A 40 7.443 -5.483 -7.798 1.00 63.35 H new ATOM 0 HG2 PRO A 40 7.606 -7.109 -5.248 1.00 25.53 H new ATOM 0 HG3 PRO A 40 7.481 -5.371 -5.429 1.00 25.53 H new ATOM 0 HD2 PRO A 40 5.296 -6.917 -4.856 1.00 63.43 H new ATOM 0 HD3 PRO A 40 5.156 -5.439 -5.787 1.00 63.43 H new ATOM 570 N ASP A 41 7.821 -9.240 -8.856 1.00 23.34 N ATOM 571 CA ASP A 41 8.411 -10.591 -9.049 1.00 15.40 C ATOM 572 C ASP A 41 9.337 -11.004 -7.874 1.00 42.40 C ATOM 573 O ASP A 41 10.202 -10.225 -7.449 1.00 1.43 O ATOM 574 CB ASP A 41 9.196 -10.638 -10.385 1.00 71.50 C ATOM 575 CG ASP A 41 8.306 -10.345 -11.603 1.00 60.45 C ATOM 576 OD1 ASP A 41 8.117 -9.157 -11.941 1.00 41.22 O ATOM 577 OD2 ASP A 41 7.783 -11.303 -12.215 1.00 12.24 O ATOM 0 H ASP A 41 8.106 -8.571 -9.571 1.00 23.34 H new ATOM 0 HA ASP A 41 7.588 -11.305 -9.078 1.00 15.40 H new ATOM 0 HB2 ASP A 41 10.009 -9.913 -10.350 1.00 71.50 H new ATOM 0 HB3 ASP A 41 9.651 -11.622 -10.500 1.00 71.50 H new ATOM 582 N GLY A 42 9.131 -12.233 -7.357 1.00 41.22 N ATOM 583 CA GLY A 42 9.891 -12.756 -6.206 1.00 2.24 C ATOM 584 C GLY A 42 9.160 -12.565 -4.872 1.00 33.43 C ATOM 585 O GLY A 42 9.435 -13.278 -3.895 1.00 24.12 O ATOM 0 H GLY A 42 8.438 -12.886 -7.723 1.00 41.22 H new ATOM 0 HA2 GLY A 42 10.087 -13.817 -6.358 1.00 2.24 H new ATOM 0 HA3 GLY A 42 10.859 -12.257 -6.159 1.00 2.24 H new ATOM 589 N TYR A 43 8.210 -11.606 -4.835 1.00 14.24 N ATOM 590 CA TYR A 43 7.456 -11.244 -3.614 1.00 1.40 C ATOM 591 C TYR A 43 5.984 -11.714 -3.710 1.00 40.11 C ATOM 592 O TYR A 43 5.488 -12.037 -4.794 1.00 72.31 O ATOM 593 CB TYR A 43 7.531 -9.712 -3.379 1.00 63.52 C ATOM 594 CG TYR A 43 8.975 -9.179 -3.320 1.00 65.14 C ATOM 595 CD1 TYR A 43 9.716 -9.235 -2.139 1.00 44.30 C ATOM 596 CD2 TYR A 43 9.604 -8.650 -4.456 1.00 2.41 C ATOM 597 CE1 TYR A 43 11.022 -8.787 -2.092 1.00 10.13 C ATOM 598 CE2 TYR A 43 10.906 -8.198 -4.409 1.00 71.21 C ATOM 599 CZ TYR A 43 11.611 -8.270 -3.224 1.00 44.02 C ATOM 600 OH TYR A 43 12.917 -7.831 -3.172 1.00 24.11 O ATOM 0 H TYR A 43 7.943 -11.059 -5.654 1.00 14.24 H new ATOM 0 HA TYR A 43 7.910 -11.752 -2.763 1.00 1.40 H new ATOM 0 HB2 TYR A 43 6.994 -9.201 -4.178 1.00 63.52 H new ATOM 0 HB3 TYR A 43 7.022 -9.468 -2.447 1.00 63.52 H new ATOM 0 HD1 TYR A 43 9.260 -9.636 -1.246 1.00 44.30 H new ATOM 0 HD2 TYR A 43 9.058 -8.595 -5.386 1.00 2.41 H new ATOM 0 HE1 TYR A 43 11.580 -8.842 -1.169 1.00 10.13 H new ATOM 0 HE2 TYR A 43 11.372 -7.790 -5.294 1.00 71.21 H new ATOM 0 HH TYR A 43 13.185 -7.496 -4.053 1.00 24.11 H new ATOM 610 N GLU A 44 5.305 -11.739 -2.556 1.00 44.20 N ATOM 611 CA GLU A 44 3.942 -12.298 -2.411 1.00 23.14 C ATOM 612 C GLU A 44 3.198 -11.540 -1.284 1.00 44.02 C ATOM 613 O GLU A 44 3.795 -11.203 -0.260 1.00 62.40 O ATOM 614 CB GLU A 44 4.078 -13.825 -2.114 1.00 24.40 C ATOM 615 CG GLU A 44 2.816 -14.704 -2.303 1.00 24.02 C ATOM 616 CD GLU A 44 1.746 -14.541 -1.209 1.00 4.14 C ATOM 617 OE1 GLU A 44 2.029 -14.887 -0.041 1.00 12.54 O ATOM 618 OE2 GLU A 44 0.626 -14.076 -1.515 1.00 43.01 O ATOM 0 H GLU A 44 5.685 -11.370 -1.684 1.00 44.20 H new ATOM 0 HA GLU A 44 3.356 -12.175 -3.322 1.00 23.14 H new ATOM 0 HB2 GLU A 44 4.865 -14.224 -2.754 1.00 24.40 H new ATOM 0 HB3 GLU A 44 4.417 -13.939 -1.084 1.00 24.40 H new ATOM 0 HG2 GLU A 44 2.368 -14.468 -3.268 1.00 24.02 H new ATOM 0 HG3 GLU A 44 3.121 -15.750 -2.340 1.00 24.02 H new ATOM 625 N TYR A 45 1.893 -11.293 -1.479 1.00 70.05 N ATOM 626 CA TYR A 45 1.081 -10.445 -0.573 1.00 51.14 C ATOM 627 C TYR A 45 0.796 -11.115 0.807 1.00 73.53 C ATOM 628 O TYR A 45 0.341 -12.260 0.873 1.00 54.30 O ATOM 629 CB TYR A 45 -0.247 -10.080 -1.287 1.00 55.52 C ATOM 630 CG TYR A 45 -1.185 -9.170 -0.475 1.00 74.34 C ATOM 631 CD1 TYR A 45 -0.918 -7.803 -0.313 1.00 20.34 C ATOM 632 CD2 TYR A 45 -2.327 -9.684 0.152 1.00 1.44 C ATOM 633 CE1 TYR A 45 -1.756 -6.995 0.435 1.00 24.41 C ATOM 634 CE2 TYR A 45 -3.157 -8.880 0.900 1.00 21.43 C ATOM 635 CZ TYR A 45 -2.872 -7.540 1.039 1.00 23.24 C ATOM 636 OH TYR A 45 -3.707 -6.747 1.789 1.00 24.22 O ATOM 0 H TYR A 45 1.366 -11.672 -2.266 1.00 70.05 H new ATOM 0 HA TYR A 45 1.657 -9.546 -0.354 1.00 51.14 H new ATOM 0 HB2 TYR A 45 -0.013 -9.588 -2.231 1.00 55.52 H new ATOM 0 HB3 TYR A 45 -0.777 -11.000 -1.531 1.00 55.52 H new ATOM 0 HD1 TYR A 45 -0.044 -7.374 -0.780 1.00 20.34 H new ATOM 0 HD2 TYR A 45 -2.561 -10.733 0.046 1.00 1.44 H new ATOM 0 HE1 TYR A 45 -1.538 -5.943 0.546 1.00 24.41 H new ATOM 0 HE2 TYR A 45 -4.030 -9.300 1.377 1.00 21.43 H new ATOM 0 HH TYR A 45 -4.444 -7.289 2.141 1.00 24.22 H new ATOM 646 N VAL A 46 1.053 -10.370 1.906 1.00 30.24 N ATOM 647 CA VAL A 46 0.697 -10.797 3.289 1.00 62.23 C ATOM 648 C VAL A 46 -0.574 -10.059 3.777 1.00 35.14 C ATOM 649 O VAL A 46 -1.611 -10.680 4.034 1.00 74.51 O ATOM 650 CB VAL A 46 1.866 -10.535 4.321 1.00 3.20 C ATOM 651 CG1 VAL A 46 1.501 -11.025 5.751 1.00 45.12 C ATOM 652 CG2 VAL A 46 3.182 -11.173 3.841 1.00 3.34 C ATOM 0 H VAL A 46 1.511 -9.459 1.866 1.00 30.24 H new ATOM 0 HA VAL A 46 0.515 -11.871 3.243 1.00 62.23 H new ATOM 0 HB VAL A 46 2.010 -9.456 4.375 1.00 3.20 H new ATOM 0 HG11 VAL A 46 2.332 -10.825 6.427 1.00 45.12 H new ATOM 0 HG12 VAL A 46 0.614 -10.497 6.101 1.00 45.12 H new ATOM 0 HG13 VAL A 46 1.301 -12.096 5.729 1.00 45.12 H new ATOM 0 HG21 VAL A 46 3.968 -10.977 4.570 1.00 3.34 H new ATOM 0 HG22 VAL A 46 3.047 -12.249 3.734 1.00 3.34 H new ATOM 0 HG23 VAL A 46 3.464 -10.745 2.879 1.00 3.34 H new ATOM 662 N GLY A 47 -0.477 -8.722 3.880 1.00 74.33 N ATOM 663 CA GLY A 47 -1.537 -7.902 4.492 1.00 44.11 C ATOM 664 C GLY A 47 -1.339 -6.398 4.272 1.00 1.35 C ATOM 665 O GLY A 47 -0.429 -5.983 3.550 1.00 60.32 O ATOM 0 H GLY A 47 0.325 -8.186 3.547 1.00 74.33 H new ATOM 0 HA2 GLY A 47 -2.501 -8.199 4.080 1.00 44.11 H new ATOM 0 HA3 GLY A 47 -1.572 -8.105 5.562 1.00 44.11 H new ATOM 669 N THR A 48 -2.197 -5.585 4.907 1.00 12.13 N ATOM 670 CA THR A 48 -2.206 -4.105 4.756 1.00 22.43 C ATOM 671 C THR A 48 -2.316 -3.415 6.133 1.00 24.25 C ATOM 672 O THR A 48 -3.077 -3.860 6.998 1.00 11.43 O ATOM 673 CB THR A 48 -3.388 -3.659 3.816 1.00 13.23 C ATOM 674 OG1 THR A 48 -3.083 -4.000 2.458 1.00 72.21 O ATOM 675 CG2 THR A 48 -3.726 -2.158 3.893 1.00 31.42 C ATOM 0 H THR A 48 -2.913 -5.930 5.547 1.00 12.13 H new ATOM 0 HA THR A 48 -1.265 -3.800 4.299 1.00 22.43 H new ATOM 0 HB THR A 48 -4.268 -4.195 4.172 1.00 13.23 H new ATOM 0 HG1 THR A 48 -3.329 -4.934 2.292 1.00 72.21 H new ATOM 0 HG21 THR A 48 -4.550 -1.935 3.215 1.00 31.42 H new ATOM 0 HG22 THR A 48 -4.015 -1.902 4.912 1.00 31.42 H new ATOM 0 HG23 THR A 48 -2.852 -1.573 3.606 1.00 31.42 H new ATOM 683 N ASP A 49 -1.550 -2.326 6.322 1.00 4.31 N ATOM 684 CA ASP A 49 -1.544 -1.539 7.574 1.00 40.42 C ATOM 685 C ASP A 49 -1.897 -0.052 7.271 1.00 71.31 C ATOM 686 O ASP A 49 -1.060 0.705 6.776 1.00 2.43 O ATOM 687 CB ASP A 49 -0.156 -1.681 8.256 1.00 75.34 C ATOM 688 CG ASP A 49 -0.102 -1.018 9.638 1.00 20.05 C ATOM 689 OD1 ASP A 49 -0.724 -1.556 10.581 1.00 42.41 O ATOM 690 OD2 ASP A 49 0.543 0.043 9.791 1.00 62.13 O ATOM 0 H ASP A 49 -0.915 -1.964 5.611 1.00 4.31 H new ATOM 0 HA ASP A 49 -2.301 -1.917 8.261 1.00 40.42 H new ATOM 0 HB2 ASP A 49 0.088 -2.739 8.356 1.00 75.34 H new ATOM 0 HB3 ASP A 49 0.606 -1.237 7.615 1.00 75.34 H new ATOM 695 N GLY A 50 -3.153 0.342 7.574 1.00 52.21 N ATOM 696 CA GLY A 50 -3.696 1.668 7.203 1.00 14.32 C ATOM 697 C GLY A 50 -4.748 1.575 6.086 1.00 20.11 C ATOM 698 O GLY A 50 -4.650 0.699 5.218 1.00 3.03 O ATOM 0 H GLY A 50 -3.816 -0.246 8.080 1.00 52.21 H new ATOM 0 HA2 GLY A 50 -4.142 2.134 8.081 1.00 14.32 H new ATOM 0 HA3 GLY A 50 -2.881 2.314 6.878 1.00 14.32 H new ATOM 702 N GLY A 51 -5.753 2.479 6.102 1.00 1.25 N ATOM 703 CA GLY A 51 -6.866 2.443 5.128 1.00 3.22 C ATOM 704 C GLY A 51 -7.839 1.264 5.332 1.00 4.23 C ATOM 705 O GLY A 51 -7.860 0.638 6.397 1.00 72.54 O ATOM 0 H GLY A 51 -5.816 3.241 6.777 1.00 1.25 H new ATOM 0 HA2 GLY A 51 -7.424 3.377 5.194 1.00 3.22 H new ATOM 0 HA3 GLY A 51 -6.453 2.390 4.121 1.00 3.22 H new ATOM 709 N VAL A 52 -8.666 0.975 4.307 1.00 63.31 N ATOM 710 CA VAL A 52 -9.609 -0.178 4.310 1.00 31.35 C ATOM 711 C VAL A 52 -9.280 -1.120 3.129 1.00 4.32 C ATOM 712 O VAL A 52 -9.538 -0.781 1.974 1.00 63.21 O ATOM 713 CB VAL A 52 -11.113 0.300 4.204 1.00 33.14 C ATOM 714 CG1 VAL A 52 -12.106 -0.895 4.226 1.00 62.12 C ATOM 715 CG2 VAL A 52 -11.454 1.317 5.312 1.00 61.40 C ATOM 0 H VAL A 52 -8.704 1.529 3.452 1.00 63.31 H new ATOM 0 HA VAL A 52 -9.490 -0.708 5.255 1.00 31.35 H new ATOM 0 HB VAL A 52 -11.222 0.796 3.240 1.00 33.14 H new ATOM 0 HG11 VAL A 52 -13.127 -0.521 4.151 1.00 62.12 H new ATOM 0 HG12 VAL A 52 -11.899 -1.556 3.384 1.00 62.12 H new ATOM 0 HG13 VAL A 52 -11.990 -1.448 5.158 1.00 62.12 H new ATOM 0 HG21 VAL A 52 -12.494 1.627 5.213 1.00 61.40 H new ATOM 0 HG22 VAL A 52 -11.304 0.856 6.288 1.00 61.40 H new ATOM 0 HG23 VAL A 52 -10.805 2.188 5.219 1.00 61.40 H new ATOM 725 N VAL A 53 -8.705 -2.301 3.417 1.00 13.51 N ATOM 726 CA VAL A 53 -8.273 -3.260 2.370 1.00 41.15 C ATOM 727 C VAL A 53 -9.421 -4.226 1.949 1.00 22.14 C ATOM 728 O VAL A 53 -10.333 -4.524 2.737 1.00 62.22 O ATOM 729 CB VAL A 53 -7.007 -4.082 2.843 1.00 2.04 C ATOM 730 CG1 VAL A 53 -7.326 -5.010 4.041 1.00 43.53 C ATOM 731 CG2 VAL A 53 -6.362 -4.873 1.673 1.00 15.51 C ATOM 0 H VAL A 53 -8.526 -2.620 4.369 1.00 13.51 H new ATOM 0 HA VAL A 53 -8.002 -2.671 1.494 1.00 41.15 H new ATOM 0 HB VAL A 53 -6.275 -3.352 3.189 1.00 2.04 H new ATOM 0 HG11 VAL A 53 -6.426 -5.553 4.330 1.00 43.53 H new ATOM 0 HG12 VAL A 53 -7.674 -4.411 4.883 1.00 43.53 H new ATOM 0 HG13 VAL A 53 -8.102 -5.720 3.755 1.00 43.53 H new ATOM 0 HG21 VAL A 53 -5.496 -5.424 2.040 1.00 15.51 H new ATOM 0 HG22 VAL A 53 -7.090 -5.573 1.262 1.00 15.51 H new ATOM 0 HG23 VAL A 53 -6.047 -4.178 0.894 1.00 15.51 H new ATOM 741 N SER A 54 -9.358 -4.690 0.689 1.00 62.02 N ATOM 742 CA SER A 54 -10.210 -5.781 0.168 1.00 3.23 C ATOM 743 C SER A 54 -9.814 -7.132 0.805 1.00 72.02 C ATOM 744 O SER A 54 -8.645 -7.342 1.155 1.00 22.23 O ATOM 745 CB SER A 54 -10.066 -5.875 -1.374 1.00 13.43 C ATOM 746 OG SER A 54 -10.742 -7.006 -1.907 1.00 62.41 O ATOM 0 H SER A 54 -8.710 -4.317 -0.005 1.00 62.02 H new ATOM 0 HA SER A 54 -11.246 -5.560 0.425 1.00 3.23 H new ATOM 0 HB2 SER A 54 -10.463 -4.968 -1.830 1.00 13.43 H new ATOM 0 HB3 SER A 54 -9.009 -5.928 -1.636 1.00 13.43 H new ATOM 0 HG SER A 54 -10.906 -6.868 -2.863 1.00 62.41 H new ATOM 752 N SER A 55 -10.793 -8.044 0.935 1.00 62.11 N ATOM 753 CA SER A 55 -10.562 -9.425 1.437 1.00 40.13 C ATOM 754 C SER A 55 -9.588 -10.216 0.530 1.00 71.14 C ATOM 755 O SER A 55 -8.870 -11.104 0.997 1.00 75.14 O ATOM 756 CB SER A 55 -11.908 -10.179 1.537 1.00 72.15 C ATOM 757 OG SER A 55 -12.832 -9.496 2.377 1.00 62.42 O ATOM 0 H SER A 55 -11.767 -7.853 0.698 1.00 62.11 H new ATOM 0 HA SER A 55 -10.106 -9.344 2.424 1.00 40.13 H new ATOM 0 HB2 SER A 55 -12.336 -10.293 0.541 1.00 72.15 H new ATOM 0 HB3 SER A 55 -11.735 -11.182 1.926 1.00 72.15 H new ATOM 0 HG SER A 55 -13.672 -9.999 2.416 1.00 62.42 H new ATOM 763 N ASP A 56 -9.582 -9.879 -0.771 1.00 25.55 N ATOM 764 CA ASP A 56 -8.693 -10.500 -1.783 1.00 63.40 C ATOM 765 C ASP A 56 -7.277 -9.858 -1.782 1.00 22.22 C ATOM 766 O ASP A 56 -6.326 -10.454 -2.295 1.00 43.30 O ATOM 767 CB ASP A 56 -9.333 -10.332 -3.186 1.00 71.03 C ATOM 768 CG ASP A 56 -10.815 -10.738 -3.216 1.00 15.34 C ATOM 769 OD1 ASP A 56 -11.671 -9.900 -2.858 1.00 50.22 O ATOM 770 OD2 ASP A 56 -11.128 -11.886 -3.586 1.00 20.40 O ATOM 0 H ASP A 56 -10.197 -9.163 -1.159 1.00 25.55 H new ATOM 0 HA ASP A 56 -8.579 -11.555 -1.534 1.00 63.40 H new ATOM 0 HB2 ASP A 56 -9.239 -9.293 -3.501 1.00 71.03 H new ATOM 0 HB3 ASP A 56 -8.781 -10.935 -3.907 1.00 71.03 H new ATOM 775 N GLY A 57 -7.158 -8.642 -1.196 1.00 20.33 N ATOM 776 CA GLY A 57 -5.909 -7.856 -1.243 1.00 75.15 C ATOM 777 C GLY A 57 -5.596 -7.274 -2.631 1.00 31.12 C ATOM 778 O GLY A 57 -4.445 -6.957 -2.935 1.00 24.32 O ATOM 0 H GLY A 57 -7.915 -8.187 -0.686 1.00 20.33 H new ATOM 0 HA2 GLY A 57 -5.977 -7.040 -0.524 1.00 75.15 H new ATOM 0 HA3 GLY A 57 -5.080 -8.490 -0.929 1.00 75.15 H new ATOM 782 N LYS A 58 -6.645 -7.130 -3.462 1.00 64.53 N ATOM 783 CA LYS A 58 -6.540 -6.589 -4.845 1.00 44.31 C ATOM 784 C LYS A 58 -6.531 -5.037 -4.871 1.00 24.42 C ATOM 785 O LYS A 58 -5.869 -4.424 -5.709 1.00 70.41 O ATOM 786 CB LYS A 58 -7.718 -7.129 -5.716 1.00 11.11 C ATOM 787 CG LYS A 58 -9.123 -6.964 -5.077 1.00 61.32 C ATOM 788 CD LYS A 58 -10.282 -7.423 -5.996 1.00 30.42 C ATOM 789 CE LYS A 58 -10.594 -6.411 -7.115 1.00 62.31 C ATOM 790 NZ LYS A 58 -11.082 -5.109 -6.570 1.00 40.45 N ATOM 0 H LYS A 58 -7.597 -7.385 -3.199 1.00 64.53 H new ATOM 0 HA LYS A 58 -5.589 -6.926 -5.257 1.00 44.31 H new ATOM 0 HB2 LYS A 58 -7.708 -6.614 -6.677 1.00 11.11 H new ATOM 0 HB3 LYS A 58 -7.548 -8.186 -5.919 1.00 11.11 H new ATOM 0 HG2 LYS A 58 -9.160 -7.534 -4.149 1.00 61.32 H new ATOM 0 HG3 LYS A 58 -9.272 -5.917 -4.814 1.00 61.32 H new ATOM 0 HD2 LYS A 58 -10.027 -8.384 -6.442 1.00 30.42 H new ATOM 0 HD3 LYS A 58 -11.177 -7.579 -5.394 1.00 30.42 H new ATOM 0 HE2 LYS A 58 -9.697 -6.241 -7.711 1.00 62.31 H new ATOM 0 HE3 LYS A 58 -11.347 -6.830 -7.783 1.00 62.31 H new ATOM 0 HZ1 LYS A 58 -11.361 -4.487 -7.355 1.00 40.45 H new ATOM 0 HZ2 LYS A 58 -11.902 -5.276 -5.953 1.00 40.45 H new ATOM 0 HZ3 LYS A 58 -10.323 -4.656 -6.022 1.00 40.45 H new ATOM 804 N THR A 59 -7.292 -4.425 -3.944 1.00 0.41 N ATOM 805 CA THR A 59 -7.509 -2.953 -3.870 1.00 70.52 C ATOM 806 C THR A 59 -7.629 -2.493 -2.398 1.00 72.22 C ATOM 807 O THR A 59 -8.100 -3.245 -1.545 1.00 40.30 O ATOM 808 CB THR A 59 -8.816 -2.517 -4.648 1.00 25.30 C ATOM 809 OG1 THR A 59 -9.900 -3.415 -4.322 1.00 73.00 O ATOM 810 CG2 THR A 59 -8.618 -2.488 -6.180 1.00 60.14 C ATOM 0 H THR A 59 -7.783 -4.939 -3.212 1.00 0.41 H new ATOM 0 HA THR A 59 -6.645 -2.480 -4.337 1.00 70.52 H new ATOM 0 HB THR A 59 -9.052 -1.501 -4.331 1.00 25.30 H new ATOM 0 HG1 THR A 59 -10.708 -3.141 -4.804 1.00 73.00 H new ATOM 0 HG21 THR A 59 -9.547 -2.182 -6.661 1.00 60.14 H new ATOM 0 HG22 THR A 59 -7.829 -1.780 -6.432 1.00 60.14 H new ATOM 0 HG23 THR A 59 -8.338 -3.482 -6.530 1.00 60.14 H new ATOM 818 N VAL A 60 -7.181 -1.254 -2.108 1.00 53.22 N ATOM 819 CA VAL A 60 -7.332 -0.616 -0.774 1.00 54.32 C ATOM 820 C VAL A 60 -8.062 0.743 -0.926 1.00 62.13 C ATOM 821 O VAL A 60 -7.618 1.607 -1.692 1.00 42.23 O ATOM 822 CB VAL A 60 -5.932 -0.371 -0.065 1.00 63.24 C ATOM 823 CG1 VAL A 60 -6.111 0.222 1.358 1.00 60.11 C ATOM 824 CG2 VAL A 60 -5.076 -1.659 -0.015 1.00 74.34 C ATOM 0 H VAL A 60 -6.704 -0.664 -2.789 1.00 53.22 H new ATOM 0 HA VAL A 60 -7.912 -1.298 -0.152 1.00 54.32 H new ATOM 0 HB VAL A 60 -5.396 0.359 -0.672 1.00 63.24 H new ATOM 0 HG11 VAL A 60 -5.133 0.377 1.813 1.00 60.11 H new ATOM 0 HG12 VAL A 60 -6.635 1.175 1.292 1.00 60.11 H new ATOM 0 HG13 VAL A 60 -6.691 -0.469 1.970 1.00 60.11 H new ATOM 0 HG21 VAL A 60 -4.127 -1.446 0.478 1.00 74.34 H new ATOM 0 HG22 VAL A 60 -5.610 -2.429 0.542 1.00 74.34 H new ATOM 0 HG23 VAL A 60 -4.887 -2.010 -1.030 1.00 74.34 H new ATOM 834 N THR A 61 -9.195 0.916 -0.219 1.00 5.35 N ATOM 835 CA THR A 61 -9.879 2.218 -0.093 1.00 44.44 C ATOM 836 C THR A 61 -9.058 3.163 0.816 1.00 21.13 C ATOM 837 O THR A 61 -8.933 2.934 2.025 1.00 3.32 O ATOM 838 CB THR A 61 -11.324 2.068 0.496 1.00 73.21 C ATOM 839 OG1 THR A 61 -12.086 1.134 -0.293 1.00 31.21 O ATOM 840 CG2 THR A 61 -12.076 3.418 0.557 1.00 33.05 C ATOM 0 H THR A 61 -9.662 0.159 0.280 1.00 5.35 H new ATOM 0 HA THR A 61 -9.962 2.637 -1.096 1.00 44.44 H new ATOM 0 HB THR A 61 -11.216 1.698 1.516 1.00 73.21 H new ATOM 0 HG1 THR A 61 -12.986 1.046 0.084 1.00 31.21 H new ATOM 0 HG21 THR A 61 -13.072 3.261 0.972 1.00 33.05 H new ATOM 0 HG22 THR A 61 -11.524 4.113 1.190 1.00 33.05 H new ATOM 0 HG23 THR A 61 -12.163 3.832 -0.448 1.00 33.05 H new ATOM 848 N ILE A 62 -8.482 4.193 0.208 1.00 31.14 N ATOM 849 CA ILE A 62 -7.636 5.199 0.887 1.00 4.33 C ATOM 850 C ILE A 62 -8.339 6.572 0.849 1.00 73.33 C ATOM 851 O ILE A 62 -9.027 6.883 -0.118 1.00 63.32 O ATOM 852 CB ILE A 62 -6.239 5.306 0.162 1.00 52.11 C ATOM 853 CG1 ILE A 62 -5.609 3.890 0.001 1.00 34.51 C ATOM 854 CG2 ILE A 62 -5.278 6.266 0.906 1.00 42.14 C ATOM 855 CD1 ILE A 62 -4.311 3.850 -0.777 1.00 21.24 C ATOM 0 H ILE A 62 -8.585 4.367 -0.792 1.00 31.14 H new ATOM 0 HA ILE A 62 -7.480 4.894 1.922 1.00 4.33 H new ATOM 0 HB ILE A 62 -6.404 5.729 -0.829 1.00 52.11 H new ATOM 0 HG12 ILE A 62 -5.433 3.472 0.992 1.00 34.51 H new ATOM 0 HG13 ILE A 62 -6.332 3.242 -0.494 1.00 34.51 H new ATOM 0 HG21 ILE A 62 -4.327 6.312 0.375 1.00 42.14 H new ATOM 0 HG22 ILE A 62 -5.719 7.262 0.948 1.00 42.14 H new ATOM 0 HG23 ILE A 62 -5.111 5.900 1.919 1.00 42.14 H new ATOM 0 HD11 ILE A 62 -3.953 2.822 -0.834 1.00 21.24 H new ATOM 0 HD12 ILE A 62 -4.478 4.232 -1.784 1.00 21.24 H new ATOM 0 HD13 ILE A 62 -3.566 4.467 -0.274 1.00 21.24 H new ATOM 867 N THR A 63 -8.162 7.389 1.894 1.00 65.14 N ATOM 868 CA THR A 63 -8.648 8.790 1.908 1.00 53.35 C ATOM 869 C THR A 63 -7.457 9.731 2.150 1.00 2.40 C ATOM 870 O THR A 63 -6.536 9.388 2.884 1.00 5.32 O ATOM 871 CB THR A 63 -9.753 9.011 2.997 1.00 74.24 C ATOM 872 OG1 THR A 63 -10.779 8.011 2.862 1.00 73.23 O ATOM 873 CG2 THR A 63 -10.411 10.398 2.882 1.00 0.32 C ATOM 0 H THR A 63 -7.683 7.109 2.750 1.00 65.14 H new ATOM 0 HA THR A 63 -9.103 9.009 0.942 1.00 53.35 H new ATOM 0 HB THR A 63 -9.263 8.938 3.968 1.00 74.24 H new ATOM 0 HG1 THR A 63 -11.466 8.153 3.546 1.00 73.23 H new ATOM 0 HG21 THR A 63 -11.170 10.506 3.657 1.00 0.32 H new ATOM 0 HG22 THR A 63 -9.653 11.172 3.006 1.00 0.32 H new ATOM 0 HG23 THR A 63 -10.876 10.500 1.902 1.00 0.32 H new ATOM 881 N PHE A 64 -7.463 10.908 1.521 1.00 12.44 N ATOM 882 CA PHE A 64 -6.341 11.861 1.625 1.00 33.44 C ATOM 883 C PHE A 64 -6.246 12.455 3.060 1.00 53.33 C ATOM 884 O PHE A 64 -7.131 13.194 3.501 1.00 42.15 O ATOM 885 CB PHE A 64 -6.505 12.957 0.558 1.00 63.34 C ATOM 886 CG PHE A 64 -6.587 12.403 -0.865 1.00 54.42 C ATOM 887 CD1 PHE A 64 -5.435 12.016 -1.547 1.00 61.01 C ATOM 888 CD2 PHE A 64 -7.816 12.248 -1.510 1.00 75.34 C ATOM 889 CE1 PHE A 64 -5.516 11.503 -2.825 1.00 44.41 C ATOM 890 CE2 PHE A 64 -7.891 11.735 -2.786 1.00 54.22 C ATOM 891 CZ PHE A 64 -6.740 11.363 -3.444 1.00 24.11 C ATOM 0 H PHE A 64 -8.231 11.230 0.932 1.00 12.44 H new ATOM 0 HA PHE A 64 -5.402 11.339 1.441 1.00 33.44 H new ATOM 0 HB2 PHE A 64 -7.407 13.530 0.771 1.00 63.34 H new ATOM 0 HB3 PHE A 64 -5.665 13.648 0.624 1.00 63.34 H new ATOM 0 HD1 PHE A 64 -4.471 12.119 -1.071 1.00 61.01 H new ATOM 0 HD2 PHE A 64 -8.723 12.535 -0.999 1.00 75.34 H new ATOM 0 HE1 PHE A 64 -4.615 11.209 -3.344 1.00 44.41 H new ATOM 0 HE2 PHE A 64 -8.850 11.625 -3.269 1.00 54.22 H new ATOM 0 HZ PHE A 64 -6.796 10.962 -4.445 1.00 24.11 H new ATOM 901 N ALA A 65 -5.156 12.115 3.773 1.00 40.05 N ATOM 902 CA ALA A 65 -4.991 12.431 5.212 1.00 14.51 C ATOM 903 C ALA A 65 -3.601 13.015 5.495 1.00 21.22 C ATOM 904 O ALA A 65 -2.610 12.542 4.954 1.00 2.44 O ATOM 905 CB ALA A 65 -5.215 11.163 6.061 1.00 41.14 C ATOM 0 H ALA A 65 -4.363 11.614 3.372 1.00 40.05 H new ATOM 0 HA ALA A 65 -5.735 13.181 5.482 1.00 14.51 H new ATOM 0 HB1 ALA A 65 -5.092 11.405 7.117 1.00 41.14 H new ATOM 0 HB2 ALA A 65 -6.223 10.785 5.891 1.00 41.14 H new ATOM 0 HB3 ALA A 65 -4.489 10.402 5.776 1.00 41.14 H new ATOM 911 N ALA A 66 -3.527 14.014 6.394 1.00 24.41 N ATOM 912 CA ALA A 66 -2.248 14.663 6.774 1.00 31.43 C ATOM 913 C ALA A 66 -1.457 13.855 7.852 1.00 55.54 C ATOM 914 O ALA A 66 -0.554 14.399 8.498 1.00 34.12 O ATOM 915 CB ALA A 66 -2.543 16.097 7.251 1.00 3.03 C ATOM 0 H ALA A 66 -4.341 14.395 6.876 1.00 24.41 H new ATOM 0 HA ALA A 66 -1.602 14.691 5.896 1.00 31.43 H new ATOM 0 HB1 ALA A 66 -1.610 16.586 7.534 1.00 3.03 H new ATOM 0 HB2 ALA A 66 -3.017 16.658 6.446 1.00 3.03 H new ATOM 0 HB3 ALA A 66 -3.211 16.064 8.112 1.00 3.03 H new ATOM 921 N ASP A 67 -1.793 12.555 8.028 1.00 52.20 N ATOM 922 CA ASP A 67 -1.132 11.649 9.000 1.00 62.34 C ATOM 923 C ASP A 67 -1.156 10.173 8.498 1.00 43.24 C ATOM 924 O ASP A 67 -1.594 9.897 7.372 1.00 52.12 O ATOM 925 CB ASP A 67 -1.816 11.783 10.385 1.00 22.05 C ATOM 926 CG ASP A 67 -3.278 11.319 10.377 1.00 71.25 C ATOM 927 OD1 ASP A 67 -4.153 12.068 9.885 1.00 33.12 O ATOM 928 OD2 ASP A 67 -3.558 10.206 10.861 1.00 34.12 O ATOM 0 H ASP A 67 -2.536 12.101 7.496 1.00 52.20 H new ATOM 0 HA ASP A 67 -0.086 11.939 9.097 1.00 62.34 H new ATOM 0 HB2 ASP A 67 -1.259 11.199 11.118 1.00 22.05 H new ATOM 0 HB3 ASP A 67 -1.772 12.823 10.707 1.00 22.05 H new ATOM 933 N ASP A 68 -0.713 9.232 9.358 1.00 45.11 N ATOM 934 CA ASP A 68 -0.496 7.812 8.971 1.00 4.42 C ATOM 935 C ASP A 68 -1.777 6.932 8.998 1.00 25.01 C ATOM 936 O ASP A 68 -1.698 5.746 8.667 1.00 64.45 O ATOM 937 CB ASP A 68 0.613 7.187 9.855 1.00 52.42 C ATOM 938 CG ASP A 68 1.975 7.866 9.638 1.00 20.25 C ATOM 939 OD1 ASP A 68 2.597 7.624 8.587 1.00 34.41 O ATOM 940 OD2 ASP A 68 2.410 8.660 10.495 1.00 14.33 O ATOM 0 H ASP A 68 -0.495 9.428 10.335 1.00 45.11 H new ATOM 0 HA ASP A 68 -0.183 7.830 7.927 1.00 4.42 H new ATOM 0 HB2 ASP A 68 0.330 7.270 10.904 1.00 52.42 H new ATOM 0 HB3 ASP A 68 0.698 6.124 9.631 1.00 52.42 H new ATOM 945 N SER A 69 -2.945 7.511 9.361 1.00 21.31 N ATOM 946 CA SER A 69 -4.249 6.772 9.389 1.00 44.21 C ATOM 947 C SER A 69 -4.588 6.101 8.030 1.00 52.20 C ATOM 948 O SER A 69 -5.127 4.982 7.983 1.00 2.22 O ATOM 949 CB SER A 69 -5.404 7.721 9.785 1.00 73.32 C ATOM 950 OG SER A 69 -6.656 7.044 9.823 1.00 75.22 O ATOM 0 H SER A 69 -3.021 8.489 9.641 1.00 21.31 H new ATOM 0 HA SER A 69 -4.138 5.984 10.134 1.00 44.21 H new ATOM 0 HB2 SER A 69 -5.197 8.157 10.762 1.00 73.32 H new ATOM 0 HB3 SER A 69 -5.458 8.545 9.073 1.00 73.32 H new ATOM 0 HG SER A 69 -7.361 7.675 10.078 1.00 75.22 H new ATOM 956 N ASP A 70 -4.254 6.805 6.935 1.00 72.10 N ATOM 957 CA ASP A 70 -4.520 6.348 5.546 1.00 23.30 C ATOM 958 C ASP A 70 -3.216 6.170 4.733 1.00 65.34 C ATOM 959 O ASP A 70 -3.268 5.907 3.526 1.00 54.20 O ATOM 960 CB ASP A 70 -5.471 7.342 4.845 1.00 12.32 C ATOM 961 CG ASP A 70 -6.872 7.375 5.474 1.00 52.12 C ATOM 962 OD1 ASP A 70 -7.078 8.120 6.459 1.00 52.31 O ATOM 963 OD2 ASP A 70 -7.772 6.648 4.988 1.00 72.24 O ATOM 0 H ASP A 70 -3.790 7.712 6.981 1.00 72.10 H new ATOM 0 HA ASP A 70 -4.995 5.369 5.599 1.00 23.30 H new ATOM 0 HB2 ASP A 70 -5.037 8.341 4.884 1.00 12.32 H new ATOM 0 HB3 ASP A 70 -5.557 7.073 3.792 1.00 12.32 H new ATOM 968 N ASN A 71 -2.046 6.323 5.389 1.00 22.23 N ATOM 969 CA ASN A 71 -0.752 5.925 4.795 1.00 72.53 C ATOM 970 C ASN A 71 -0.634 4.387 4.853 1.00 2.40 C ATOM 971 O ASN A 71 -0.366 3.805 5.907 1.00 61.25 O ATOM 972 CB ASN A 71 0.452 6.615 5.493 1.00 32.53 C ATOM 973 CG ASN A 71 0.466 8.133 5.296 1.00 5.15 C ATOM 974 OD1 ASN A 71 -0.036 8.654 4.307 1.00 12.40 O ATOM 975 ND2 ASN A 71 1.074 8.854 6.213 1.00 65.14 N ATOM 0 H ASN A 71 -1.971 6.718 6.327 1.00 22.23 H new ATOM 0 HA ASN A 71 -0.724 6.256 3.757 1.00 72.53 H new ATOM 0 HB2 ASN A 71 0.423 6.393 6.560 1.00 32.53 H new ATOM 0 HB3 ASN A 71 1.380 6.195 5.105 1.00 32.53 H new ATOM 0 HD21 ASN A 71 1.134 9.867 6.108 1.00 65.14 H new ATOM 0 HD22 ASN A 71 1.485 8.400 7.029 1.00 65.14 H new ATOM 982 N VAL A 72 -0.859 3.747 3.702 1.00 13.43 N ATOM 983 CA VAL A 72 -1.049 2.293 3.594 1.00 2.23 C ATOM 984 C VAL A 72 0.300 1.567 3.425 1.00 24.14 C ATOM 985 O VAL A 72 1.019 1.798 2.462 1.00 20.44 O ATOM 986 CB VAL A 72 -2.007 1.981 2.383 1.00 41.14 C ATOM 987 CG1 VAL A 72 -2.107 0.471 2.077 1.00 50.14 C ATOM 988 CG2 VAL A 72 -3.404 2.592 2.639 1.00 52.00 C ATOM 0 H VAL A 72 -0.916 4.229 2.805 1.00 13.43 H new ATOM 0 HA VAL A 72 -1.503 1.927 4.515 1.00 2.23 H new ATOM 0 HB VAL A 72 -1.573 2.444 1.497 1.00 41.14 H new ATOM 0 HG11 VAL A 72 -2.780 0.314 1.234 1.00 50.14 H new ATOM 0 HG12 VAL A 72 -1.119 0.084 1.829 1.00 50.14 H new ATOM 0 HG13 VAL A 72 -2.493 -0.053 2.952 1.00 50.14 H new ATOM 0 HG21 VAL A 72 -4.058 2.370 1.796 1.00 52.00 H new ATOM 0 HG22 VAL A 72 -3.827 2.165 3.548 1.00 52.00 H new ATOM 0 HG23 VAL A 72 -3.313 3.672 2.754 1.00 52.00 H new ATOM 998 N VAL A 73 0.626 0.676 4.368 1.00 22.50 N ATOM 999 CA VAL A 73 1.855 -0.132 4.324 1.00 23.03 C ATOM 1000 C VAL A 73 1.502 -1.559 3.847 1.00 32.20 C ATOM 1001 O VAL A 73 0.900 -2.340 4.598 1.00 73.11 O ATOM 1002 CB VAL A 73 2.571 -0.176 5.731 1.00 5.25 C ATOM 1003 CG1 VAL A 73 3.893 -0.985 5.678 1.00 13.01 C ATOM 1004 CG2 VAL A 73 2.819 1.255 6.273 1.00 1.14 C ATOM 0 H VAL A 73 0.045 0.493 5.186 1.00 22.50 H new ATOM 0 HA VAL A 73 2.553 0.328 3.624 1.00 23.03 H new ATOM 0 HB VAL A 73 1.901 -0.690 6.420 1.00 5.25 H new ATOM 0 HG11 VAL A 73 4.355 -0.992 6.665 1.00 13.01 H new ATOM 0 HG12 VAL A 73 3.681 -2.009 5.370 1.00 13.01 H new ATOM 0 HG13 VAL A 73 4.573 -0.524 4.962 1.00 13.01 H new ATOM 0 HG21 VAL A 73 3.313 1.196 7.243 1.00 1.14 H new ATOM 0 HG22 VAL A 73 3.452 1.803 5.576 1.00 1.14 H new ATOM 0 HG23 VAL A 73 1.866 1.773 6.382 1.00 1.14 H new ATOM 1014 N ILE A 74 1.863 -1.881 2.594 1.00 44.34 N ATOM 1015 CA ILE A 74 1.604 -3.207 2.004 1.00 5.30 C ATOM 1016 C ILE A 74 2.737 -4.164 2.422 1.00 55.23 C ATOM 1017 O ILE A 74 3.889 -4.000 2.002 1.00 22.45 O ATOM 1018 CB ILE A 74 1.511 -3.148 0.428 1.00 3.35 C ATOM 1019 CG1 ILE A 74 0.395 -2.155 -0.041 1.00 4.55 C ATOM 1020 CG2 ILE A 74 1.280 -4.563 -0.177 1.00 32.41 C ATOM 1021 CD1 ILE A 74 -1.031 -2.565 0.305 1.00 24.21 C ATOM 0 H ILE A 74 2.339 -1.235 1.964 1.00 44.34 H new ATOM 0 HA ILE A 74 0.642 -3.563 2.372 1.00 5.30 H new ATOM 0 HB ILE A 74 2.467 -2.776 0.060 1.00 3.35 H new ATOM 0 HG12 ILE A 74 0.592 -1.178 0.401 1.00 4.55 H new ATOM 0 HG13 ILE A 74 0.469 -2.036 -1.122 1.00 4.55 H new ATOM 0 HG21 ILE A 74 1.220 -4.489 -1.263 1.00 32.41 H new ATOM 0 HG22 ILE A 74 2.109 -5.216 0.097 1.00 32.41 H new ATOM 0 HG23 ILE A 74 0.349 -4.977 0.210 1.00 32.41 H new ATOM 0 HD11 ILE A 74 -1.726 -1.811 -0.064 1.00 24.21 H new ATOM 0 HD12 ILE A 74 -1.257 -3.525 -0.160 1.00 24.21 H new ATOM 0 HD13 ILE A 74 -1.132 -2.654 1.387 1.00 24.21 H new ATOM 1033 N HIS A 75 2.401 -5.145 3.268 1.00 21.45 N ATOM 1034 CA HIS A 75 3.363 -6.141 3.753 1.00 63.42 C ATOM 1035 C HIS A 75 3.477 -7.297 2.745 1.00 4.31 C ATOM 1036 O HIS A 75 2.468 -7.827 2.276 1.00 51.45 O ATOM 1037 CB HIS A 75 2.953 -6.655 5.153 1.00 12.31 C ATOM 1038 CG HIS A 75 3.125 -5.614 6.233 1.00 44.04 C ATOM 1039 ND1 HIS A 75 4.300 -5.467 6.939 1.00 70.45 N ATOM 1040 CD2 HIS A 75 2.289 -4.650 6.705 1.00 55.30 C ATOM 1041 CE1 HIS A 75 4.187 -4.466 7.782 1.00 73.51 C ATOM 1042 NE2 HIS A 75 2.979 -3.952 7.669 1.00 43.24 N ATOM 0 H HIS A 75 1.457 -5.270 3.635 1.00 21.45 H new ATOM 0 HA HIS A 75 4.343 -5.672 3.847 1.00 63.42 H new ATOM 0 HB2 HIS A 75 1.912 -6.975 5.126 1.00 12.31 H new ATOM 0 HB3 HIS A 75 3.550 -7.532 5.402 1.00 12.31 H new ATOM 0 HD2 HIS A 75 1.274 -4.467 6.383 1.00 55.30 H new ATOM 0 HE1 HIS A 75 4.957 -4.121 8.456 1.00 73.51 H new ATOM 0 HE2 HIS A 75 2.615 -3.166 8.208 1.00 43.24 H new ATOM 1051 N LEU A 76 4.724 -7.654 2.418 1.00 44.40 N ATOM 1052 CA LEU A 76 5.064 -8.709 1.445 1.00 63.01 C ATOM 1053 C LEU A 76 6.014 -9.735 2.096 1.00 55.34 C ATOM 1054 O LEU A 76 6.538 -9.509 3.187 1.00 32.02 O ATOM 1055 CB LEU A 76 5.744 -8.085 0.186 1.00 62.33 C ATOM 1056 CG LEU A 76 4.907 -7.026 -0.600 1.00 51.30 C ATOM 1057 CD1 LEU A 76 5.708 -6.429 -1.779 1.00 15.11 C ATOM 1058 CD2 LEU A 76 3.565 -7.621 -1.080 1.00 25.22 C ATOM 0 H LEU A 76 5.546 -7.211 2.829 1.00 44.40 H new ATOM 0 HA LEU A 76 4.147 -9.211 1.138 1.00 63.01 H new ATOM 0 HB2 LEU A 76 6.679 -7.619 0.498 1.00 62.33 H new ATOM 0 HB3 LEU A 76 6.003 -8.893 -0.498 1.00 62.33 H new ATOM 0 HG LEU A 76 4.684 -6.210 0.088 1.00 51.30 H new ATOM 0 HD11 LEU A 76 5.094 -5.696 -2.302 1.00 15.11 H new ATOM 0 HD12 LEU A 76 6.607 -5.944 -1.399 1.00 15.11 H new ATOM 0 HD13 LEU A 76 5.989 -7.225 -2.468 1.00 15.11 H new ATOM 0 HD21 LEU A 76 3.004 -6.861 -1.624 1.00 25.22 H new ATOM 0 HD22 LEU A 76 3.757 -8.469 -1.737 1.00 25.22 H new ATOM 0 HD23 LEU A 76 2.985 -7.953 -0.219 1.00 25.22 H new ATOM 1070 N LYS A 77 6.195 -10.865 1.412 1.00 30.02 N ATOM 1071 CA LYS A 77 7.188 -11.900 1.766 1.00 64.45 C ATOM 1072 C LYS A 77 7.619 -12.633 0.487 1.00 43.40 C ATOM 1073 O LYS A 77 6.983 -12.479 -0.556 1.00 50.44 O ATOM 1074 CB LYS A 77 6.612 -12.899 2.811 1.00 3.55 C ATOM 1075 CG LYS A 77 5.374 -13.696 2.339 1.00 32.34 C ATOM 1076 CD LYS A 77 4.794 -14.602 3.455 1.00 3.02 C ATOM 1077 CE LYS A 77 3.516 -15.341 3.023 1.00 24.14 C ATOM 1078 NZ LYS A 77 3.741 -16.223 1.847 1.00 70.25 N ATOM 0 H LYS A 77 5.651 -11.098 0.581 1.00 30.02 H new ATOM 0 HA LYS A 77 8.055 -11.423 2.223 1.00 64.45 H new ATOM 0 HB2 LYS A 77 7.396 -13.604 3.088 1.00 3.55 H new ATOM 0 HB3 LYS A 77 6.348 -12.346 3.713 1.00 3.55 H new ATOM 0 HG2 LYS A 77 4.605 -13.001 2.002 1.00 32.34 H new ATOM 0 HG3 LYS A 77 5.646 -14.310 1.481 1.00 32.34 H new ATOM 0 HD2 LYS A 77 5.547 -15.332 3.751 1.00 3.02 H new ATOM 0 HD3 LYS A 77 4.577 -13.994 4.333 1.00 3.02 H new ATOM 0 HE2 LYS A 77 3.146 -15.938 3.856 1.00 24.14 H new ATOM 0 HE3 LYS A 77 2.741 -14.612 2.784 1.00 24.14 H new ATOM 0 HZ1 LYS A 77 3.217 -15.851 1.029 1.00 70.25 H new ATOM 0 HZ2 LYS A 77 4.756 -16.252 1.624 1.00 70.25 H new ATOM 0 HZ3 LYS A 77 3.407 -17.184 2.065 1.00 70.25 H new ATOM 1092 N HIS A 78 8.696 -13.424 0.552 1.00 21.02 N ATOM 1093 CA HIS A 78 9.164 -14.189 -0.621 1.00 65.15 C ATOM 1094 C HIS A 78 8.212 -15.374 -0.932 1.00 65.41 C ATOM 1095 O HIS A 78 8.068 -16.304 -0.132 1.00 54.11 O ATOM 1096 CB HIS A 78 10.624 -14.668 -0.418 1.00 35.11 C ATOM 1097 CG HIS A 78 11.626 -13.544 -0.298 1.00 12.22 C ATOM 1098 ND1 HIS A 78 12.893 -13.715 0.210 1.00 35.32 N ATOM 1099 CD2 HIS A 78 11.535 -12.226 -0.618 1.00 72.25 C ATOM 1100 CE1 HIS A 78 13.531 -12.562 0.196 1.00 12.41 C ATOM 1101 NE2 HIS A 78 12.732 -11.640 -0.296 1.00 61.22 N ATOM 0 H HIS A 78 9.258 -13.554 1.393 1.00 21.02 H new ATOM 0 HA HIS A 78 9.150 -13.527 -1.487 1.00 65.15 H new ATOM 0 HB2 HIS A 78 10.673 -15.282 0.481 1.00 35.11 H new ATOM 0 HB3 HIS A 78 10.907 -15.306 -1.256 1.00 35.11 H new ATOM 0 HD2 HIS A 78 10.677 -11.731 -1.047 1.00 72.25 H new ATOM 0 HE1 HIS A 78 14.544 -12.400 0.533 1.00 12.41 H new ATOM 0 HE2 HIS A 78 12.964 -10.654 -0.418 1.00 61.22 H new ATOM 1110 N GLY A 79 7.566 -15.306 -2.116 1.00 21.53 N ATOM 1111 CA GLY A 79 6.665 -16.368 -2.609 1.00 55.01 C ATOM 1112 C GLY A 79 7.203 -17.013 -3.887 1.00 65.04 C ATOM 1113 O GLY A 79 6.497 -17.762 -4.569 1.00 1.25 O ATOM 0 H GLY A 79 7.655 -14.516 -2.755 1.00 21.53 H new ATOM 0 HA2 GLY A 79 6.544 -17.130 -1.839 1.00 55.01 H new ATOM 0 HA3 GLY A 79 5.677 -15.948 -2.800 1.00 55.01 H new ATOM 1117 N LEU A 80 8.475 -16.702 -4.187 1.00 41.22 N ATOM 1118 CA LEU A 80 9.217 -17.196 -5.352 1.00 62.42 C ATOM 1119 C LEU A 80 10.736 -17.082 -5.055 1.00 50.24 C ATOM 1120 O LEU A 80 11.196 -16.044 -4.548 1.00 34.42 O ATOM 1121 CB LEU A 80 8.843 -16.366 -6.617 1.00 21.30 C ATOM 1122 CG LEU A 80 9.572 -16.752 -7.950 1.00 0.21 C ATOM 1123 CD1 LEU A 80 9.185 -18.169 -8.426 1.00 43.14 C ATOM 1124 CD2 LEU A 80 9.327 -15.703 -9.057 1.00 44.34 C ATOM 0 H LEU A 80 9.031 -16.078 -3.603 1.00 41.22 H new ATOM 0 HA LEU A 80 8.960 -18.238 -5.544 1.00 62.42 H new ATOM 0 HB2 LEU A 80 7.769 -16.455 -6.778 1.00 21.30 H new ATOM 0 HB3 LEU A 80 9.048 -15.316 -6.408 1.00 21.30 H new ATOM 0 HG LEU A 80 10.641 -16.761 -7.737 1.00 0.21 H new ATOM 0 HD11 LEU A 80 9.712 -18.398 -9.353 1.00 43.14 H new ATOM 0 HD12 LEU A 80 9.460 -18.897 -7.663 1.00 43.14 H new ATOM 0 HD13 LEU A 80 8.110 -18.214 -8.599 1.00 43.14 H new ATOM 0 HD21 LEU A 80 9.848 -16.005 -9.966 1.00 44.34 H new ATOM 0 HD22 LEU A 80 8.258 -15.630 -9.259 1.00 44.34 H new ATOM 0 HD23 LEU A 80 9.702 -14.733 -8.729 1.00 44.34 H new ATOM 1136 N GLU A 81 11.503 -18.145 -5.355 1.00 12.21 N ATOM 1137 CA GLU A 81 12.982 -18.148 -5.191 1.00 52.25 C ATOM 1138 C GLU A 81 13.646 -17.258 -6.277 1.00 42.24 C ATOM 1139 O GLU A 81 13.044 -17.007 -7.326 1.00 12.31 O ATOM 1140 CB GLU A 81 13.516 -19.608 -5.256 1.00 21.24 C ATOM 1141 CG GLU A 81 15.048 -19.759 -5.050 1.00 32.13 C ATOM 1142 CD GLU A 81 15.576 -21.197 -5.165 1.00 35.44 C ATOM 1143 OE1 GLU A 81 15.118 -21.941 -6.057 1.00 31.31 O ATOM 1144 OE2 GLU A 81 16.462 -21.586 -4.370 1.00 72.25 O ATOM 0 H GLU A 81 11.127 -19.022 -5.715 1.00 12.21 H new ATOM 0 HA GLU A 81 13.238 -17.732 -4.216 1.00 52.25 H new ATOM 0 HB2 GLU A 81 13.003 -20.200 -4.498 1.00 21.24 H new ATOM 0 HB3 GLU A 81 13.252 -20.032 -6.225 1.00 21.24 H new ATOM 0 HG2 GLU A 81 15.562 -19.139 -5.784 1.00 32.13 H new ATOM 0 HG3 GLU A 81 15.308 -19.369 -4.066 1.00 32.13 H new ATOM 1151 N HIS A 82 14.886 -16.783 -6.009 1.00 13.23 N ATOM 1152 CA HIS A 82 15.641 -15.892 -6.926 1.00 24.21 C ATOM 1153 C HIS A 82 15.984 -16.591 -8.275 1.00 21.45 C ATOM 1154 O HIS A 82 17.039 -17.209 -8.433 1.00 74.42 O ATOM 1155 CB HIS A 82 16.928 -15.379 -6.232 1.00 10.32 C ATOM 1156 CG HIS A 82 16.674 -14.627 -4.949 1.00 73.12 C ATOM 1157 ND1 HIS A 82 16.535 -13.260 -4.893 1.00 53.44 N ATOM 1158 CD2 HIS A 82 16.538 -15.061 -3.671 1.00 42.02 C ATOM 1159 CE1 HIS A 82 16.335 -12.888 -3.649 1.00 71.14 C ATOM 1160 NE2 HIS A 82 16.329 -13.959 -2.884 1.00 12.15 N ATOM 0 H HIS A 82 15.392 -17.006 -5.152 1.00 13.23 H new ATOM 0 HA HIS A 82 14.999 -15.043 -7.162 1.00 24.21 H new ATOM 0 HB2 HIS A 82 17.578 -16.228 -6.021 1.00 10.32 H new ATOM 0 HB3 HIS A 82 17.466 -14.729 -6.922 1.00 10.32 H new ATOM 0 HD2 HIS A 82 16.586 -16.086 -3.336 1.00 42.02 H new ATOM 0 HE1 HIS A 82 16.198 -11.872 -3.310 1.00 71.14 H new ATOM 0 HE2 HIS A 82 16.192 -13.967 -1.873 1.00 12.15 H new ATOM 1169 N HIS A 83 15.022 -16.535 -9.208 1.00 63.04 N ATOM 1170 CA HIS A 83 15.167 -17.015 -10.599 1.00 51.42 C ATOM 1171 C HIS A 83 14.896 -15.838 -11.555 1.00 62.34 C ATOM 1172 O HIS A 83 13.770 -15.322 -11.605 1.00 11.55 O ATOM 1173 CB HIS A 83 14.197 -18.198 -10.880 1.00 22.32 C ATOM 1174 CG HIS A 83 14.603 -19.504 -10.244 1.00 22.43 C ATOM 1175 ND1 HIS A 83 14.938 -20.625 -10.975 1.00 40.43 N ATOM 1176 CD2 HIS A 83 14.722 -19.873 -8.943 1.00 44.24 C ATOM 1177 CE1 HIS A 83 15.240 -21.610 -10.160 1.00 55.43 C ATOM 1178 NE2 HIS A 83 15.119 -21.181 -8.925 1.00 51.41 N ATOM 0 H HIS A 83 14.099 -16.147 -9.016 1.00 63.04 H new ATOM 0 HA HIS A 83 16.180 -17.385 -10.756 1.00 51.42 H new ATOM 0 HB2 HIS A 83 13.203 -17.929 -10.524 1.00 22.32 H new ATOM 0 HB3 HIS A 83 14.121 -18.341 -11.958 1.00 22.32 H new ATOM 0 HD2 HIS A 83 14.537 -19.249 -8.081 1.00 44.24 H new ATOM 0 HE1 HIS A 83 15.538 -22.605 -10.456 1.00 55.43 H new ATOM 0 HE2 HIS A 83 15.293 -21.735 -8.086 1.00 51.41 H new ATOM 1187 N HIS A 84 15.935 -15.416 -12.301 1.00 11.32 N ATOM 1188 CA HIS A 84 15.893 -14.176 -13.102 1.00 2.33 C ATOM 1189 C HIS A 84 16.885 -14.219 -14.294 1.00 31.40 C ATOM 1190 O HIS A 84 18.069 -14.528 -14.121 1.00 64.22 O ATOM 1191 CB HIS A 84 16.173 -12.946 -12.187 1.00 44.02 C ATOM 1192 CG HIS A 84 17.492 -12.983 -11.437 1.00 23.42 C ATOM 1193 ND1 HIS A 84 18.516 -12.094 -11.671 1.00 25.14 N ATOM 1194 CD2 HIS A 84 17.939 -13.804 -10.449 1.00 43.32 C ATOM 1195 CE1 HIS A 84 19.526 -12.364 -10.873 1.00 0.41 C ATOM 1196 NE2 HIS A 84 19.205 -13.396 -10.119 1.00 12.23 N ATOM 0 H HIS A 84 16.820 -15.919 -12.366 1.00 11.32 H new ATOM 0 HA HIS A 84 14.894 -14.084 -13.528 1.00 2.33 H new ATOM 0 HB2 HIS A 84 16.147 -12.045 -12.800 1.00 44.02 H new ATOM 0 HB3 HIS A 84 15.364 -12.862 -11.462 1.00 44.02 H new ATOM 0 HD2 HIS A 84 17.396 -14.626 -10.006 1.00 43.32 H new ATOM 0 HE1 HIS A 84 20.463 -11.829 -10.841 1.00 0.41 H new ATOM 0 HE2 HIS A 84 19.800 -13.821 -9.408 1.00 12.23 H new ATOM 1205 N HIS A 85 16.370 -13.926 -15.503 1.00 71.53 N ATOM 1206 CA HIS A 85 17.180 -13.789 -16.740 1.00 22.44 C ATOM 1207 C HIS A 85 17.509 -12.295 -17.000 1.00 0.34 C ATOM 1208 O HIS A 85 18.639 -11.942 -17.354 1.00 62.52 O ATOM 1209 CB HIS A 85 16.398 -14.395 -17.934 1.00 52.51 C ATOM 1210 CG HIS A 85 17.168 -14.458 -19.228 1.00 25.03 C ATOM 1211 ND1 HIS A 85 16.854 -13.699 -20.332 1.00 63.25 N ATOM 1212 CD2 HIS A 85 18.231 -15.217 -19.595 1.00 65.01 C ATOM 1213 CE1 HIS A 85 17.677 -13.988 -21.316 1.00 21.24 C ATOM 1214 NE2 HIS A 85 18.520 -14.903 -20.897 1.00 10.11 N ATOM 0 H HIS A 85 15.373 -13.776 -15.656 1.00 71.53 H new ATOM 0 HA HIS A 85 18.120 -14.327 -16.623 1.00 22.44 H new ATOM 0 HB2 HIS A 85 16.080 -15.403 -17.668 1.00 52.51 H new ATOM 0 HB3 HIS A 85 15.494 -13.807 -18.094 1.00 52.51 H new ATOM 0 HD2 HIS A 85 18.751 -15.934 -18.977 1.00 65.01 H new ATOM 0 HE1 HIS A 85 17.662 -13.547 -22.302 1.00 21.24 H new ATOM 0 HE2 HIS A 85 19.270 -15.314 -21.452 1.00 10.11 H new ATOM 1223 N HIS A 86 16.492 -11.429 -16.825 1.00 4.13 N ATOM 1224 CA HIS A 86 16.623 -9.955 -16.959 1.00 40.45 C ATOM 1225 C HIS A 86 16.341 -9.257 -15.599 1.00 64.41 C ATOM 1226 O HIS A 86 15.630 -9.807 -14.748 1.00 11.00 O ATOM 1227 CB HIS A 86 15.647 -9.447 -18.054 1.00 74.43 C ATOM 1228 CG HIS A 86 15.791 -7.982 -18.386 1.00 53.41 C ATOM 1229 ND1 HIS A 86 14.869 -7.025 -18.013 1.00 73.14 N ATOM 1230 CD2 HIS A 86 16.767 -7.310 -19.053 1.00 73.43 C ATOM 1231 CE1 HIS A 86 15.269 -5.842 -18.429 1.00 62.42 C ATOM 1232 NE2 HIS A 86 16.413 -5.989 -19.058 1.00 70.31 N ATOM 0 H HIS A 86 15.547 -11.729 -16.585 1.00 4.13 H new ATOM 0 HA HIS A 86 17.643 -9.710 -17.254 1.00 40.45 H new ATOM 0 HB2 HIS A 86 15.803 -10.030 -18.962 1.00 74.43 H new ATOM 0 HB3 HIS A 86 14.624 -9.634 -17.727 1.00 74.43 H new ATOM 0 HD2 HIS A 86 17.654 -7.739 -19.495 1.00 73.43 H new ATOM 0 HE1 HIS A 86 14.746 -4.909 -18.279 1.00 62.42 H new ATOM 0 HE2 HIS A 86 16.953 -5.236 -19.484 1.00 70.31 H new ATOM 1241 N HIS A 87 16.902 -8.043 -15.398 1.00 71.14 N ATOM 1242 CA HIS A 87 16.704 -7.246 -14.158 1.00 44.41 C ATOM 1243 C HIS A 87 15.784 -6.041 -14.424 1.00 54.04 C ATOM 1244 O HIS A 87 16.071 -5.194 -15.276 1.00 65.53 O ATOM 1245 CB HIS A 87 18.083 -6.791 -13.597 1.00 64.01 C ATOM 1246 CG HIS A 87 18.035 -6.183 -12.213 1.00 32.21 C ATOM 1247 ND1 HIS A 87 18.011 -6.942 -11.064 1.00 15.32 N ATOM 1248 CD2 HIS A 87 18.027 -4.890 -11.793 1.00 72.33 C ATOM 1249 CE1 HIS A 87 17.977 -6.152 -10.013 1.00 13.31 C ATOM 1250 NE2 HIS A 87 17.987 -4.905 -10.424 1.00 41.10 N ATOM 0 H HIS A 87 17.502 -7.587 -16.085 1.00 71.14 H new ATOM 0 HA HIS A 87 16.216 -7.871 -13.410 1.00 44.41 H new ATOM 0 HB2 HIS A 87 18.753 -7.650 -13.578 1.00 64.01 H new ATOM 0 HB3 HIS A 87 18.517 -6.064 -14.283 1.00 64.01 H new ATOM 0 HD2 HIS A 87 18.048 -4.013 -12.423 1.00 72.33 H new ATOM 0 HE1 HIS A 87 17.946 -6.475 -8.983 1.00 13.31 H new ATOM 0 HE2 HIS A 87 17.968 -4.082 -9.822 1.00 41.10 H new TER 1259 HIS A 87