USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 784 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 1 HIS : no HD1:sc= -0.383 X(o=-0.38,f=-0.059) USER MOD Single : A 1 HIS N :NH3+ 180:sc= -0.597 (180deg=-0.597) USER MOD Single : A 2 MET CE :methyl -156:sc= -0.174 (180deg=-0.751) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.037 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 27:sc= 0.178 USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot -140:sc= -0.803 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -1.73! C(o=-1.7!,f=-4.6!) USER MOD Single : A 64 HIS : no HD1:sc= -3.88! C(o=-3.9!,f=-4.4!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.132 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -170:sc= -0.181 (180deg=-0.353) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -122:sc= -0.162 (180deg=-0.678) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 1.329 0.000 0.000 1.00 3.00 N ATOM 2 CA HIS A 1 2.094 -0.001 -1.242 1.00 72.12 C ATOM 3 C HIS A 1 2.697 -1.377 -1.508 1.00 32.22 C ATOM 4 O HIS A 1 2.900 -1.765 -2.658 1.00 52.20 O ATOM 5 CB HIS A 1 3.201 1.051 -1.185 1.00 43.41 C ATOM 6 CG HIS A 1 4.295 0.719 -0.217 1.00 73.51 C ATOM 7 ND1 HIS A 1 5.589 0.448 -0.608 1.00 20.42 N ATOM 8 CD2 HIS A 1 4.281 0.615 1.132 1.00 2.24 C ATOM 9 CE1 HIS A 1 6.324 0.190 0.459 1.00 0.43 C ATOM 10 NE2 HIS A 1 5.554 0.286 1.528 1.00 22.04 N ATOM 0 H1 HIS A 1 0.928 0.946 0.160 1.00 3.00 H new ATOM 0 H2 HIS A 1 0.559 -0.696 -0.066 1.00 3.00 H new ATOM 0 H3 HIS A 1 1.954 -0.250 0.793 1.00 3.00 H new ATOM 0 HA HIS A 1 1.414 0.242 -2.058 1.00 72.12 H new ATOM 0 HB2 HIS A 1 3.631 1.168 -2.180 1.00 43.41 H new ATOM 0 HB3 HIS A 1 2.764 2.011 -0.911 1.00 43.41 H new ATOM 0 HD2 HIS A 1 3.428 0.763 1.777 1.00 2.24 H new ATOM 0 HE1 HIS A 1 7.375 -0.057 0.458 1.00 0.43 H new ATOM 0 HE2 HIS A 1 5.856 0.140 2.491 1.00 22.04 H new ATOM 18 N MET A 2 2.981 -2.110 -0.436 1.00 63.13 N ATOM 19 CA MET A 2 3.561 -3.443 -0.555 1.00 33.14 C ATOM 20 C MET A 2 2.704 -4.331 -1.451 1.00 54.13 C ATOM 21 O MET A 2 1.543 -4.021 -1.720 1.00 60.13 O ATOM 22 CB MET A 2 3.707 -4.083 0.827 1.00 33.51 C ATOM 23 CG MET A 2 5.038 -3.784 1.498 1.00 74.40 C ATOM 24 SD MET A 2 6.408 -4.694 0.759 1.00 51.22 S ATOM 25 CE MET A 2 5.969 -6.376 1.190 1.00 63.13 C ATOM 0 H MET A 2 2.819 -1.804 0.523 1.00 63.13 H new ATOM 0 HA MET A 2 4.547 -3.344 -1.008 1.00 33.14 H new ATOM 0 HB2 MET A 2 2.899 -3.731 1.468 1.00 33.51 H new ATOM 0 HB3 MET A 2 3.592 -5.163 0.732 1.00 33.51 H new ATOM 0 HG2 MET A 2 5.241 -2.715 1.434 1.00 74.40 H new ATOM 0 HG3 MET A 2 4.971 -4.033 2.557 1.00 74.40 H new ATOM 0 HE1 MET A 2 6.866 -6.995 1.199 1.00 63.13 H new ATOM 0 HE2 MET A 2 5.509 -6.390 2.178 1.00 63.13 H new ATOM 0 HE3 MET A 2 5.265 -6.768 0.456 1.00 63.13 H new ATOM 35 N SER A 3 3.283 -5.435 -1.911 1.00 70.21 N ATOM 36 CA SER A 3 2.573 -6.366 -2.781 1.00 0.40 C ATOM 37 C SER A 3 2.638 -7.785 -2.226 1.00 61.43 C ATOM 38 O SER A 3 3.524 -8.116 -1.437 1.00 30.21 O ATOM 39 CB SER A 3 3.164 -6.329 -4.192 1.00 34.52 C ATOM 40 OG SER A 3 3.724 -5.060 -4.478 1.00 5.14 O ATOM 0 H SER A 3 4.242 -5.707 -1.696 1.00 70.21 H new ATOM 0 HA SER A 3 1.528 -6.060 -2.825 1.00 0.40 H new ATOM 0 HB2 SER A 3 3.930 -7.098 -4.289 1.00 34.52 H new ATOM 0 HB3 SER A 3 2.387 -6.560 -4.921 1.00 34.52 H new ATOM 0 HG SER A 3 4.096 -5.063 -5.385 1.00 5.14 H new ATOM 46 N LEU A 4 1.694 -8.621 -2.645 1.00 11.13 N ATOM 47 CA LEU A 4 1.642 -10.006 -2.191 1.00 23.32 C ATOM 48 C LEU A 4 1.043 -10.909 -3.265 1.00 24.25 C ATOM 49 O LEU A 4 -0.124 -10.767 -3.632 1.00 5.34 O ATOM 50 CB LEU A 4 0.822 -10.112 -0.904 1.00 2.21 C ATOM 51 CG LEU A 4 1.289 -9.241 0.263 1.00 24.20 C ATOM 52 CD1 LEU A 4 0.243 -9.222 1.367 1.00 44.22 C ATOM 53 CD2 LEU A 4 2.624 -9.739 0.799 1.00 52.10 C ATOM 0 H LEU A 4 0.954 -8.364 -3.298 1.00 11.13 H new ATOM 0 HA LEU A 4 2.662 -10.335 -1.992 1.00 23.32 H new ATOM 0 HB2 LEU A 4 -0.212 -9.853 -1.133 1.00 2.21 H new ATOM 0 HB3 LEU A 4 0.826 -11.152 -0.579 1.00 2.21 H new ATOM 0 HG LEU A 4 1.423 -8.222 -0.100 1.00 24.20 H new ATOM 0 HD11 LEU A 4 0.593 -8.597 2.189 1.00 44.22 H new ATOM 0 HD12 LEU A 4 -0.691 -8.818 0.976 1.00 44.22 H new ATOM 0 HD13 LEU A 4 0.077 -10.237 1.728 1.00 44.22 H new ATOM 0 HD21 LEU A 4 2.941 -9.108 1.629 1.00 52.10 H new ATOM 0 HD22 LEU A 4 2.516 -10.767 1.146 1.00 52.10 H new ATOM 0 HD23 LEU A 4 3.372 -9.700 0.007 1.00 52.10 H new ATOM 65 N THR A 5 1.849 -11.841 -3.764 1.00 63.11 N ATOM 66 CA THR A 5 1.399 -12.768 -4.795 1.00 23.24 C ATOM 67 C THR A 5 0.602 -13.918 -4.190 1.00 20.05 C ATOM 68 O THR A 5 1.070 -14.598 -3.276 1.00 71.33 O ATOM 69 CB THR A 5 2.586 -13.344 -5.589 1.00 64.05 C ATOM 70 OG1 THR A 5 3.735 -12.504 -5.431 1.00 63.14 O ATOM 71 CG2 THR A 5 2.241 -13.466 -7.066 1.00 34.42 C ATOM 0 H THR A 5 2.817 -11.974 -3.471 1.00 63.11 H new ATOM 0 HA THR A 5 0.759 -12.202 -5.472 1.00 23.24 H new ATOM 0 HB THR A 5 2.806 -14.338 -5.200 1.00 64.05 H new ATOM 0 HG1 THR A 5 4.486 -12.878 -5.938 1.00 63.14 H new ATOM 0 HG21 THR A 5 3.095 -13.875 -7.606 1.00 34.42 H new ATOM 0 HG22 THR A 5 1.384 -14.129 -7.186 1.00 34.42 H new ATOM 0 HG23 THR A 5 1.997 -12.482 -7.465 1.00 34.42 H new ATOM 79 N VAL A 6 -0.605 -14.131 -4.705 1.00 2.14 N ATOM 80 CA VAL A 6 -1.467 -15.200 -4.216 1.00 22.40 C ATOM 81 C VAL A 6 -1.513 -16.363 -5.202 1.00 11.44 C ATOM 82 O VAL A 6 -1.956 -16.209 -6.340 1.00 15.11 O ATOM 83 CB VAL A 6 -2.901 -14.696 -3.966 1.00 45.14 C ATOM 84 CG1 VAL A 6 -3.755 -15.796 -3.355 1.00 50.13 C ATOM 85 CG2 VAL A 6 -2.884 -13.464 -3.074 1.00 23.44 C ATOM 0 H VAL A 6 -1.008 -13.577 -5.461 1.00 2.14 H new ATOM 0 HA VAL A 6 -1.042 -15.543 -3.273 1.00 22.40 H new ATOM 0 HB VAL A 6 -3.342 -14.417 -4.923 1.00 45.14 H new ATOM 0 HG11 VAL A 6 -4.764 -15.421 -3.186 1.00 50.13 H new ATOM 0 HG12 VAL A 6 -3.793 -16.647 -4.035 1.00 50.13 H new ATOM 0 HG13 VAL A 6 -3.320 -16.109 -2.406 1.00 50.13 H new ATOM 0 HG21 VAL A 6 -3.905 -13.121 -2.908 1.00 23.44 H new ATOM 0 HG22 VAL A 6 -2.425 -13.714 -2.118 1.00 23.44 H new ATOM 0 HG23 VAL A 6 -2.310 -12.673 -3.557 1.00 23.44 H new ATOM 95 N LYS A 7 -1.052 -17.527 -4.757 1.00 15.21 N ATOM 96 CA LYS A 7 -1.042 -18.718 -5.598 1.00 52.21 C ATOM 97 C LYS A 7 -2.307 -19.543 -5.388 1.00 33.53 C ATOM 98 O LYS A 7 -2.678 -19.850 -4.255 1.00 74.02 O ATOM 99 CB LYS A 7 0.192 -19.570 -5.295 1.00 62.35 C ATOM 100 CG LYS A 7 1.477 -18.767 -5.196 1.00 41.52 C ATOM 101 CD LYS A 7 2.674 -19.660 -4.917 1.00 71.33 C ATOM 102 CE LYS A 7 2.920 -20.635 -6.059 1.00 34.13 C ATOM 103 NZ LYS A 7 4.355 -21.016 -6.164 1.00 5.52 N ATOM 0 H LYS A 7 -0.680 -17.671 -3.818 1.00 15.21 H new ATOM 0 HA LYS A 7 -1.008 -18.397 -6.639 1.00 52.21 H new ATOM 0 HB2 LYS A 7 0.034 -20.103 -4.358 1.00 62.35 H new ATOM 0 HB3 LYS A 7 0.303 -20.323 -6.075 1.00 62.35 H new ATOM 0 HG2 LYS A 7 1.638 -18.221 -6.126 1.00 41.52 H new ATOM 0 HG3 LYS A 7 1.383 -18.025 -4.403 1.00 41.52 H new ATOM 0 HD2 LYS A 7 3.561 -19.045 -4.765 1.00 71.33 H new ATOM 0 HD3 LYS A 7 2.508 -20.214 -3.993 1.00 71.33 H new ATOM 0 HE2 LYS A 7 2.317 -21.530 -5.908 1.00 34.13 H new ATOM 0 HE3 LYS A 7 2.594 -20.185 -6.997 1.00 34.13 H new ATOM 0 HZ1 LYS A 7 4.481 -21.681 -6.954 1.00 5.52 H new ATOM 0 HZ2 LYS A 7 4.929 -20.165 -6.333 1.00 5.52 H new ATOM 0 HZ3 LYS A 7 4.660 -21.468 -5.279 1.00 5.52 H new ATOM 117 N ALA A 8 -2.964 -19.901 -6.486 1.00 74.31 N ATOM 118 CA ALA A 8 -4.186 -20.695 -6.421 1.00 44.54 C ATOM 119 C ALA A 8 -3.980 -22.070 -7.046 1.00 32.51 C ATOM 120 O ALA A 8 -3.265 -22.212 -8.038 1.00 24.22 O ATOM 121 CB ALA A 8 -5.327 -19.964 -7.113 1.00 42.23 C ATOM 0 H ALA A 8 -2.671 -19.654 -7.431 1.00 74.31 H new ATOM 0 HA ALA A 8 -4.443 -20.837 -5.371 1.00 44.54 H new ATOM 0 HB1 ALA A 8 -6.233 -20.568 -7.057 1.00 42.23 H new ATOM 0 HB2 ALA A 8 -5.498 -19.007 -6.620 1.00 42.23 H new ATOM 0 HB3 ALA A 8 -5.069 -19.793 -8.158 1.00 42.23 H new ATOM 127 N TYR A 9 -4.611 -23.081 -6.459 1.00 72.30 N ATOM 128 CA TYR A 9 -4.495 -24.447 -6.956 1.00 41.04 C ATOM 129 C TYR A 9 -5.865 -25.015 -7.314 1.00 21.23 C ATOM 130 O TYR A 9 -6.736 -25.155 -6.454 1.00 23.41 O ATOM 131 CB TYR A 9 -3.818 -25.336 -5.912 1.00 70.41 C ATOM 132 CG TYR A 9 -2.400 -24.922 -5.591 1.00 42.12 C ATOM 133 CD1 TYR A 9 -1.337 -25.341 -6.382 1.00 2.44 C ATOM 134 CD2 TYR A 9 -2.123 -24.110 -4.498 1.00 32.32 C ATOM 135 CE1 TYR A 9 -0.040 -24.965 -6.092 1.00 5.14 C ATOM 136 CE2 TYR A 9 -0.829 -23.728 -4.201 1.00 31.30 C ATOM 137 CZ TYR A 9 0.209 -24.159 -5.000 1.00 42.55 C ATOM 138 OH TYR A 9 1.500 -23.781 -4.709 1.00 11.20 O ATOM 0 H TYR A 9 -5.208 -22.980 -5.638 1.00 72.30 H new ATOM 0 HA TYR A 9 -3.883 -24.428 -7.858 1.00 41.04 H new ATOM 0 HB2 TYR A 9 -4.408 -25.320 -4.996 1.00 70.41 H new ATOM 0 HB3 TYR A 9 -3.815 -26.365 -6.271 1.00 70.41 H new ATOM 0 HD1 TYR A 9 -1.528 -25.971 -7.238 1.00 2.44 H new ATOM 0 HD2 TYR A 9 -2.934 -23.772 -3.870 1.00 32.32 H new ATOM 0 HE1 TYR A 9 0.775 -25.300 -6.717 1.00 5.14 H new ATOM 0 HE2 TYR A 9 -0.632 -23.096 -3.348 1.00 31.30 H new ATOM 0 HH TYR A 9 1.503 -23.214 -3.910 1.00 11.20 H new ATOM 148 N LEU A 10 -6.048 -25.341 -8.588 1.00 75.43 N ATOM 149 CA LEU A 10 -7.312 -25.896 -9.062 1.00 10.31 C ATOM 150 C LEU A 10 -7.386 -27.394 -8.788 1.00 20.41 C ATOM 151 O LEU A 10 -6.429 -28.130 -9.035 1.00 52.44 O ATOM 152 CB LEU A 10 -7.479 -25.631 -10.559 1.00 44.42 C ATOM 153 CG LEU A 10 -8.869 -25.181 -11.011 1.00 24.13 C ATOM 154 CD1 LEU A 10 -8.943 -25.121 -12.529 1.00 35.45 C ATOM 155 CD2 LEU A 10 -9.936 -26.114 -10.459 1.00 34.24 C ATOM 0 H LEU A 10 -5.338 -25.231 -9.312 1.00 75.43 H new ATOM 0 HA LEU A 10 -8.121 -25.406 -8.520 1.00 10.31 H new ATOM 0 HB2 LEU A 10 -6.758 -24.869 -10.855 1.00 44.42 H new ATOM 0 HB3 LEU A 10 -7.220 -26.541 -11.100 1.00 44.42 H new ATOM 0 HG LEU A 10 -9.052 -24.180 -10.620 1.00 24.13 H new ATOM 0 HD11 LEU A 10 -9.939 -24.799 -12.832 1.00 35.45 H new ATOM 0 HD12 LEU A 10 -8.203 -24.412 -12.902 1.00 35.45 H new ATOM 0 HD13 LEU A 10 -8.739 -26.109 -12.943 1.00 35.45 H new ATOM 0 HD21 LEU A 10 -10.919 -25.779 -10.790 1.00 34.24 H new ATOM 0 HD22 LEU A 10 -9.757 -27.126 -10.821 1.00 34.24 H new ATOM 0 HD23 LEU A 10 -9.898 -26.106 -9.370 1.00 34.24 H new ATOM 167 N LEU A 11 -8.528 -27.841 -8.278 1.00 31.44 N ATOM 168 CA LEU A 11 -8.729 -29.254 -7.972 1.00 4.31 C ATOM 169 C LEU A 11 -9.941 -29.805 -8.715 1.00 51.02 C ATOM 170 O LEU A 11 -11.042 -29.265 -8.615 1.00 43.54 O ATOM 171 CB LEU A 11 -8.907 -29.449 -6.465 1.00 74.33 C ATOM 172 CG LEU A 11 -8.064 -28.545 -5.566 1.00 51.53 C ATOM 173 CD1 LEU A 11 -8.434 -28.750 -4.105 1.00 44.34 C ATOM 174 CD2 LEU A 11 -6.581 -28.807 -5.785 1.00 74.53 C ATOM 0 H LEU A 11 -9.329 -27.246 -8.067 1.00 31.44 H new ATOM 0 HA LEU A 11 -7.846 -29.801 -8.301 1.00 4.31 H new ATOM 0 HB2 LEU A 11 -9.958 -29.292 -6.221 1.00 74.33 H new ATOM 0 HB3 LEU A 11 -8.675 -30.486 -6.223 1.00 74.33 H new ATOM 0 HG LEU A 11 -8.271 -27.508 -5.830 1.00 51.53 H new ATOM 0 HD11 LEU A 11 -7.824 -28.098 -3.480 1.00 44.34 H new ATOM 0 HD12 LEU A 11 -9.487 -28.510 -3.959 1.00 44.34 H new ATOM 0 HD13 LEU A 11 -8.257 -29.789 -3.827 1.00 44.34 H new ATOM 0 HD21 LEU A 11 -5.997 -28.154 -5.137 1.00 74.53 H new ATOM 0 HD22 LEU A 11 -6.357 -29.847 -5.550 1.00 74.53 H new ATOM 0 HD23 LEU A 11 -6.326 -28.607 -6.826 1.00 74.53 H new ATOM 186 N GLY A 12 -9.731 -30.887 -9.460 1.00 12.52 N ATOM 187 CA GLY A 12 -10.816 -31.494 -10.207 1.00 73.54 C ATOM 188 C GLY A 12 -11.588 -32.509 -9.387 1.00 53.03 C ATOM 189 O GLY A 12 -12.147 -32.178 -8.341 1.00 44.21 O ATOM 0 H GLY A 12 -8.829 -31.353 -9.559 1.00 12.52 H new ATOM 0 HA2 GLY A 12 -11.497 -30.715 -10.550 1.00 73.54 H new ATOM 0 HA3 GLY A 12 -10.414 -31.980 -11.096 1.00 73.54 H new ATOM 193 N LYS A 13 -11.622 -33.749 -9.863 1.00 34.11 N ATOM 194 CA LYS A 13 -12.332 -34.817 -9.168 1.00 1.52 C ATOM 195 C LYS A 13 -11.378 -35.626 -8.296 1.00 65.51 C ATOM 196 O LYS A 13 -11.746 -36.081 -7.214 1.00 34.11 O ATOM 197 CB LYS A 13 -13.025 -35.737 -10.175 1.00 43.23 C ATOM 198 CG LYS A 13 -13.878 -36.814 -9.528 1.00 53.24 C ATOM 199 CD LYS A 13 -13.120 -38.124 -9.399 1.00 45.12 C ATOM 200 CE LYS A 13 -13.547 -38.895 -8.160 1.00 25.42 C ATOM 201 NZ LYS A 13 -12.965 -40.266 -8.132 1.00 3.12 N ATOM 0 H LYS A 13 -11.166 -34.040 -10.728 1.00 34.11 H new ATOM 0 HA LYS A 13 -13.085 -34.361 -8.525 1.00 1.52 H new ATOM 0 HB2 LYS A 13 -13.652 -35.135 -10.833 1.00 43.23 H new ATOM 0 HB3 LYS A 13 -12.269 -36.211 -10.801 1.00 43.23 H new ATOM 0 HG2 LYS A 13 -14.200 -36.480 -8.542 1.00 53.24 H new ATOM 0 HG3 LYS A 13 -14.779 -36.971 -10.121 1.00 53.24 H new ATOM 0 HD2 LYS A 13 -13.292 -38.734 -10.286 1.00 45.12 H new ATOM 0 HD3 LYS A 13 -12.050 -37.923 -9.353 1.00 45.12 H new ATOM 0 HE2 LYS A 13 -13.237 -38.350 -7.268 1.00 25.42 H new ATOM 0 HE3 LYS A 13 -14.635 -38.961 -8.130 1.00 25.42 H new ATOM 0 HZ1 LYS A 13 -13.280 -40.759 -7.272 1.00 3.12 H new ATOM 0 HZ2 LYS A 13 -13.281 -40.795 -8.970 1.00 3.12 H new ATOM 0 HZ3 LYS A 13 -11.927 -40.203 -8.134 1.00 3.12 H new ATOM 215 N GLU A 14 -10.150 -35.801 -8.775 1.00 23.21 N ATOM 216 CA GLU A 14 -9.143 -36.556 -8.038 1.00 13.04 C ATOM 217 C GLU A 14 -8.242 -35.622 -7.236 1.00 2.43 C ATOM 218 O GLU A 14 -7.113 -35.974 -6.895 1.00 12.25 O ATOM 219 CB GLU A 14 -8.299 -37.397 -8.998 1.00 14.12 C ATOM 220 CG GLU A 14 -9.120 -38.329 -9.873 1.00 54.10 C ATOM 221 CD GLU A 14 -9.743 -37.618 -11.059 1.00 0.11 C ATOM 222 OE1 GLU A 14 -9.138 -36.641 -11.548 1.00 53.23 O ATOM 223 OE2 GLU A 14 -10.834 -38.038 -11.497 1.00 51.23 O ATOM 0 H GLU A 14 -9.829 -35.430 -9.669 1.00 23.21 H new ATOM 0 HA GLU A 14 -9.659 -37.219 -7.344 1.00 13.04 H new ATOM 0 HB2 GLU A 14 -7.718 -36.731 -9.636 1.00 14.12 H new ATOM 0 HB3 GLU A 14 -7.587 -37.987 -8.421 1.00 14.12 H new ATOM 0 HG2 GLU A 14 -8.484 -39.138 -10.232 1.00 54.10 H new ATOM 0 HG3 GLU A 14 -9.907 -38.785 -9.273 1.00 54.10 H new ATOM 230 N GLU A 15 -8.749 -34.429 -6.940 1.00 32.15 N ATOM 231 CA GLU A 15 -7.989 -33.444 -6.179 1.00 53.23 C ATOM 232 C GLU A 15 -6.611 -33.225 -6.797 1.00 21.55 C ATOM 233 O GLU A 15 -5.639 -32.959 -6.091 1.00 45.31 O ATOM 234 CB GLU A 15 -7.843 -33.892 -4.724 1.00 12.03 C ATOM 235 CG GLU A 15 -9.138 -34.398 -4.110 1.00 1.44 C ATOM 236 CD GLU A 15 -9.092 -34.427 -2.594 1.00 55.42 C ATOM 237 OE1 GLU A 15 -8.478 -33.514 -2.002 1.00 72.42 O ATOM 238 OE2 GLU A 15 -9.670 -35.361 -2.001 1.00 15.35 O ATOM 0 H GLU A 15 -9.682 -34.122 -7.215 1.00 32.15 H new ATOM 0 HA GLU A 15 -8.535 -32.501 -6.207 1.00 53.23 H new ATOM 0 HB2 GLU A 15 -7.092 -34.680 -4.669 1.00 12.03 H new ATOM 0 HB3 GLU A 15 -7.472 -33.056 -4.131 1.00 12.03 H new ATOM 0 HG2 GLU A 15 -9.962 -33.762 -4.433 1.00 1.44 H new ATOM 0 HG3 GLU A 15 -9.345 -35.401 -4.483 1.00 1.44 H new ATOM 245 N ALA A 16 -6.536 -33.342 -8.118 1.00 42.43 N ATOM 246 CA ALA A 16 -5.278 -33.156 -8.831 1.00 52.23 C ATOM 247 C ALA A 16 -5.181 -31.751 -9.417 1.00 33.12 C ATOM 248 O ALA A 16 -6.161 -31.215 -9.934 1.00 30.21 O ATOM 249 CB ALA A 16 -5.135 -34.199 -9.930 1.00 12.31 C ATOM 0 H ALA A 16 -7.331 -33.565 -8.717 1.00 42.43 H new ATOM 0 HA ALA A 16 -4.463 -33.281 -8.118 1.00 52.23 H new ATOM 0 HB1 ALA A 16 -4.191 -34.048 -10.454 1.00 12.31 H new ATOM 0 HB2 ALA A 16 -5.150 -35.196 -9.490 1.00 12.31 H new ATOM 0 HB3 ALA A 16 -5.961 -34.101 -10.634 1.00 12.31 H new ATOM 255 N ALA A 17 -3.994 -31.160 -9.331 1.00 52.13 N ATOM 256 CA ALA A 17 -3.770 -29.818 -9.854 1.00 3.11 C ATOM 257 C ALA A 17 -4.171 -29.726 -11.322 1.00 61.43 C ATOM 258 O ALA A 17 -3.490 -30.263 -12.196 1.00 61.32 O ATOM 259 CB ALA A 17 -2.312 -29.420 -9.677 1.00 42.23 C ATOM 0 H ALA A 17 -3.173 -31.589 -8.904 1.00 52.13 H new ATOM 0 HA ALA A 17 -4.396 -29.126 -9.290 1.00 3.11 H new ATOM 0 HB1 ALA A 17 -2.158 -28.416 -10.072 1.00 42.23 H new ATOM 0 HB2 ALA A 17 -2.056 -29.436 -8.618 1.00 42.23 H new ATOM 0 HB3 ALA A 17 -1.675 -30.122 -10.215 1.00 42.23 H new ATOM 265 N ARG A 18 -5.280 -29.044 -11.586 1.00 52.14 N ATOM 266 CA ARG A 18 -5.773 -28.884 -12.949 1.00 62.22 C ATOM 267 C ARG A 18 -5.106 -27.694 -13.632 1.00 42.14 C ATOM 268 O ARG A 18 -4.572 -27.818 -14.734 1.00 73.02 O ATOM 269 CB ARG A 18 -7.291 -28.699 -12.947 1.00 34.40 C ATOM 270 CG ARG A 18 -8.062 -29.989 -13.176 1.00 33.23 C ATOM 271 CD ARG A 18 -9.499 -29.713 -13.591 1.00 21.42 C ATOM 272 NE ARG A 18 -10.241 -30.945 -13.844 1.00 74.24 N ATOM 273 CZ ARG A 18 -11.422 -30.980 -14.452 1.00 40.34 C ATOM 274 NH1 ARG A 18 -11.991 -29.856 -14.867 1.00 61.32 N ATOM 275 NH2 ARG A 18 -12.036 -32.140 -14.647 1.00 43.00 N ATOM 0 H ARG A 18 -5.855 -28.593 -10.874 1.00 52.14 H new ATOM 0 HA ARG A 18 -5.525 -29.787 -13.506 1.00 62.22 H new ATOM 0 HB2 ARG A 18 -7.595 -28.269 -11.993 1.00 34.40 H new ATOM 0 HB3 ARG A 18 -7.562 -27.981 -13.721 1.00 34.40 H new ATOM 0 HG2 ARG A 18 -7.566 -30.578 -13.947 1.00 33.23 H new ATOM 0 HG3 ARG A 18 -8.054 -30.586 -12.264 1.00 33.23 H new ATOM 0 HD2 ARG A 18 -9.999 -29.143 -12.808 1.00 21.42 H new ATOM 0 HD3 ARG A 18 -9.505 -29.095 -14.489 1.00 21.42 H new ATOM 0 HE ARG A 18 -9.830 -31.827 -13.537 1.00 74.24 H new ATOM 0 HH11 ARG A 18 -11.522 -28.962 -14.720 1.00 61.32 H new ATOM 0 HH12 ARG A 18 -12.898 -29.885 -15.333 1.00 61.32 H new ATOM 0 HH21 ARG A 18 -11.601 -33.007 -14.330 1.00 43.00 H new ATOM 0 HH22 ARG A 18 -12.943 -32.165 -15.114 1.00 43.00 H new ATOM 289 N GLU A 19 -5.141 -26.542 -12.970 1.00 53.31 N ATOM 290 CA GLU A 19 -4.541 -25.330 -13.515 1.00 13.51 C ATOM 291 C GLU A 19 -3.859 -24.519 -12.417 1.00 31.14 C ATOM 292 O GLU A 19 -4.289 -24.532 -11.263 1.00 33.52 O ATOM 293 CB GLU A 19 -5.604 -24.475 -14.209 1.00 33.22 C ATOM 294 CG GLU A 19 -5.026 -23.371 -15.078 1.00 21.12 C ATOM 295 CD GLU A 19 -4.381 -23.902 -16.343 1.00 72.04 C ATOM 296 OE1 GLU A 19 -5.123 -24.294 -17.268 1.00 61.03 O ATOM 297 OE2 GLU A 19 -3.134 -23.925 -16.409 1.00 32.15 O ATOM 0 H GLU A 19 -5.578 -26.423 -12.056 1.00 53.31 H new ATOM 0 HA GLU A 19 -3.788 -25.626 -14.246 1.00 13.51 H new ATOM 0 HB2 GLU A 19 -6.231 -25.120 -14.825 1.00 33.22 H new ATOM 0 HB3 GLU A 19 -6.250 -24.030 -13.453 1.00 33.22 H new ATOM 0 HG2 GLU A 19 -5.818 -22.671 -15.345 1.00 21.12 H new ATOM 0 HG3 GLU A 19 -4.287 -22.812 -14.505 1.00 21.12 H new ATOM 304 N ILE A 20 -2.794 -23.815 -12.784 1.00 24.41 N ATOM 305 CA ILE A 20 -2.052 -22.999 -11.831 1.00 13.12 C ATOM 306 C ILE A 20 -1.900 -21.568 -12.334 1.00 51.35 C ATOM 307 O ILE A 20 -1.464 -21.339 -13.463 1.00 12.01 O ATOM 308 CB ILE A 20 -0.655 -23.585 -11.554 1.00 72.14 C ATOM 309 CG1 ILE A 20 -0.769 -25.046 -11.115 1.00 71.41 C ATOM 310 CG2 ILE A 20 0.064 -22.763 -10.496 1.00 3.32 C ATOM 311 CD1 ILE A 20 -1.499 -25.228 -9.803 1.00 12.42 C ATOM 0 H ILE A 20 -2.425 -23.793 -13.735 1.00 24.41 H new ATOM 0 HA ILE A 20 -2.626 -22.997 -10.904 1.00 13.12 H new ATOM 0 HB ILE A 20 -0.072 -23.546 -12.474 1.00 72.14 H new ATOM 0 HG12 ILE A 20 -1.286 -25.611 -11.891 1.00 71.41 H new ATOM 0 HG13 ILE A 20 0.232 -25.469 -11.026 1.00 71.41 H new ATOM 0 HG21 ILE A 20 1.050 -23.190 -10.311 1.00 3.32 H new ATOM 0 HG22 ILE A 20 0.173 -21.736 -10.845 1.00 3.32 H new ATOM 0 HG23 ILE A 20 -0.514 -22.773 -9.572 1.00 3.32 H new ATOM 0 HD11 ILE A 20 -1.542 -26.288 -9.555 1.00 12.42 H new ATOM 0 HD12 ILE A 20 -0.970 -24.692 -9.015 1.00 12.42 H new ATOM 0 HD13 ILE A 20 -2.512 -24.835 -9.893 1.00 12.42 H new ATOM 323 N ARG A 21 -2.261 -20.607 -11.490 1.00 22.45 N ATOM 324 CA ARG A 21 -2.164 -19.198 -11.849 1.00 2.34 C ATOM 325 C ARG A 21 -1.954 -18.334 -10.608 1.00 55.12 C ATOM 326 O ARG A 21 -2.366 -18.701 -9.507 1.00 43.04 O ATOM 327 CB ARG A 21 -3.426 -18.750 -12.588 1.00 1.21 C ATOM 328 CG ARG A 21 -3.188 -17.608 -13.563 1.00 20.22 C ATOM 329 CD ARG A 21 -2.322 -18.047 -14.734 1.00 12.35 C ATOM 330 NE ARG A 21 -2.155 -16.982 -15.719 1.00 63.33 N ATOM 331 CZ ARG A 21 -3.122 -16.576 -16.534 1.00 71.52 C ATOM 332 NH1 ARG A 21 -4.320 -17.143 -16.481 1.00 4.13 N ATOM 333 NH2 ARG A 21 -2.893 -15.602 -17.405 1.00 4.54 N ATOM 0 H ARG A 21 -2.624 -20.779 -10.552 1.00 22.45 H new ATOM 0 HA ARG A 21 -1.303 -19.075 -12.506 1.00 2.34 H new ATOM 0 HB2 ARG A 21 -3.840 -19.600 -13.131 1.00 1.21 H new ATOM 0 HB3 ARG A 21 -4.175 -18.443 -11.858 1.00 1.21 H new ATOM 0 HG2 ARG A 21 -4.144 -17.240 -13.934 1.00 20.22 H new ATOM 0 HG3 ARG A 21 -2.707 -16.779 -13.044 1.00 20.22 H new ATOM 0 HD2 ARG A 21 -1.344 -18.357 -14.366 1.00 12.35 H new ATOM 0 HD3 ARG A 21 -2.773 -18.916 -15.213 1.00 12.35 H new ATOM 0 HE ARG A 21 -1.246 -16.525 -15.785 1.00 63.33 H new ATOM 0 HH11 ARG A 21 -4.500 -17.893 -15.813 1.00 4.13 H new ATOM 0 HH12 ARG A 21 -5.061 -16.829 -17.108 1.00 4.13 H new ATOM 0 HH21 ARG A 21 -1.973 -15.164 -17.450 1.00 4.54 H new ATOM 0 HH22 ARG A 21 -3.637 -15.292 -18.030 1.00 4.54 H new ATOM 347 N ARG A 22 -1.312 -17.186 -10.795 1.00 10.52 N ATOM 348 CA ARG A 22 -1.047 -16.271 -9.691 1.00 45.42 C ATOM 349 C ARG A 22 -1.346 -14.830 -10.095 1.00 43.13 C ATOM 350 O ARG A 22 -1.377 -14.501 -11.281 1.00 53.43 O ATOM 351 CB ARG A 22 0.410 -16.393 -9.239 1.00 13.44 C ATOM 352 CG ARG A 22 0.804 -17.802 -8.829 1.00 61.22 C ATOM 353 CD ARG A 22 2.293 -18.043 -9.026 1.00 34.54 C ATOM 354 NE ARG A 22 3.105 -17.143 -8.212 1.00 41.11 N ATOM 355 CZ ARG A 22 4.410 -16.968 -8.390 1.00 12.31 C ATOM 356 NH1 ARG A 22 5.046 -17.628 -9.348 1.00 3.43 N ATOM 357 NH2 ARG A 22 5.080 -16.130 -7.609 1.00 25.52 N ATOM 0 H ARG A 22 -0.966 -16.867 -11.700 1.00 10.52 H new ATOM 0 HA ARG A 22 -1.702 -16.541 -8.863 1.00 45.42 H new ATOM 0 HB2 ARG A 22 1.061 -16.064 -10.048 1.00 13.44 H new ATOM 0 HB3 ARG A 22 0.579 -15.719 -8.399 1.00 13.44 H new ATOM 0 HG2 ARG A 22 0.543 -17.964 -7.783 1.00 61.22 H new ATOM 0 HG3 ARG A 22 0.236 -18.525 -9.415 1.00 61.22 H new ATOM 0 HD2 ARG A 22 2.530 -19.076 -8.771 1.00 34.54 H new ATOM 0 HD3 ARG A 22 2.546 -17.908 -10.078 1.00 34.54 H new ATOM 0 HE ARG A 22 2.646 -16.620 -7.466 1.00 41.11 H new ATOM 0 HH11 ARG A 22 4.533 -18.272 -9.951 1.00 3.43 H new ATOM 0 HH12 ARG A 22 6.048 -17.492 -9.483 1.00 3.43 H new ATOM 0 HH21 ARG A 22 4.593 -15.620 -6.872 1.00 25.52 H new ATOM 0 HH22 ARG A 22 6.082 -15.996 -7.746 1.00 25.52 H new ATOM 371 N PHE A 23 -1.565 -13.976 -9.102 1.00 14.55 N ATOM 372 CA PHE A 23 -1.864 -12.570 -9.353 1.00 63.52 C ATOM 373 C PHE A 23 -1.276 -11.685 -8.258 1.00 35.22 C ATOM 374 O PHE A 23 -1.227 -12.073 -7.091 1.00 31.52 O ATOM 375 CB PHE A 23 -3.376 -12.356 -9.442 1.00 31.23 C ATOM 376 CG PHE A 23 -4.083 -12.523 -8.127 1.00 72.11 C ATOM 377 CD1 PHE A 23 -4.194 -11.460 -7.245 1.00 54.04 C ATOM 378 CD2 PHE A 23 -4.637 -13.743 -7.773 1.00 40.22 C ATOM 379 CE1 PHE A 23 -4.844 -11.611 -6.035 1.00 22.22 C ATOM 380 CE2 PHE A 23 -5.288 -13.900 -6.564 1.00 40.10 C ATOM 381 CZ PHE A 23 -5.392 -12.832 -5.694 1.00 73.32 C ATOM 0 H PHE A 23 -1.541 -14.232 -8.115 1.00 14.55 H new ATOM 0 HA PHE A 23 -1.409 -12.292 -10.303 1.00 63.52 H new ATOM 0 HB2 PHE A 23 -3.571 -11.355 -9.826 1.00 31.23 H new ATOM 0 HB3 PHE A 23 -3.793 -13.060 -10.162 1.00 31.23 H new ATOM 0 HD1 PHE A 23 -3.768 -10.503 -7.506 1.00 54.04 H new ATOM 0 HD2 PHE A 23 -4.559 -14.581 -8.450 1.00 40.22 H new ATOM 0 HE1 PHE A 23 -4.923 -10.775 -5.356 1.00 22.22 H new ATOM 0 HE2 PHE A 23 -5.715 -14.856 -6.300 1.00 40.10 H new ATOM 0 HZ PHE A 23 -5.901 -12.952 -4.749 1.00 73.32 H new ATOM 391 N SER A 24 -0.832 -10.493 -8.643 1.00 61.34 N ATOM 392 CA SER A 24 -0.244 -9.554 -7.696 1.00 3.30 C ATOM 393 C SER A 24 -1.328 -8.849 -6.886 1.00 25.23 C ATOM 394 O SER A 24 -2.259 -8.269 -7.445 1.00 24.32 O ATOM 395 CB SER A 24 0.610 -8.521 -8.433 1.00 43.44 C ATOM 396 OG SER A 24 -0.172 -7.770 -9.346 1.00 61.44 O ATOM 0 H SER A 24 -0.868 -10.155 -9.605 1.00 61.34 H new ATOM 0 HA SER A 24 0.390 -10.117 -7.011 1.00 3.30 H new ATOM 0 HB2 SER A 24 1.077 -7.850 -7.712 1.00 43.44 H new ATOM 0 HB3 SER A 24 1.415 -9.025 -8.968 1.00 43.44 H new ATOM 0 HG SER A 24 -1.101 -7.743 -9.035 1.00 61.44 H new ATOM 402 N PHE A 25 -1.199 -8.904 -5.564 1.00 72.21 N ATOM 403 CA PHE A 25 -2.167 -8.273 -4.675 1.00 54.21 C ATOM 404 C PHE A 25 -1.520 -7.142 -3.881 1.00 50.00 C ATOM 405 O PHE A 25 -0.296 -7.076 -3.759 1.00 32.41 O ATOM 406 CB PHE A 25 -2.763 -9.307 -3.718 1.00 31.31 C ATOM 407 CG PHE A 25 -3.994 -8.825 -3.005 1.00 30.32 C ATOM 408 CD1 PHE A 25 -5.190 -8.670 -3.687 1.00 60.31 C ATOM 409 CD2 PHE A 25 -3.955 -8.528 -1.652 1.00 53.31 C ATOM 410 CE1 PHE A 25 -6.324 -8.226 -3.033 1.00 62.34 C ATOM 411 CE2 PHE A 25 -5.086 -8.084 -0.993 1.00 12.41 C ATOM 412 CZ PHE A 25 -6.272 -7.934 -1.684 1.00 52.35 C ATOM 0 H PHE A 25 -0.434 -9.379 -5.085 1.00 72.21 H new ATOM 0 HA PHE A 25 -2.965 -7.853 -5.288 1.00 54.21 H new ATOM 0 HB2 PHE A 25 -3.007 -10.210 -4.278 1.00 31.31 H new ATOM 0 HB3 PHE A 25 -2.010 -9.583 -2.980 1.00 31.31 H new ATOM 0 HD1 PHE A 25 -5.237 -8.899 -4.741 1.00 60.31 H new ATOM 0 HD2 PHE A 25 -3.030 -8.645 -1.106 1.00 53.31 H new ATOM 0 HE1 PHE A 25 -7.250 -8.108 -3.576 1.00 62.34 H new ATOM 0 HE2 PHE A 25 -5.042 -7.855 0.061 1.00 12.41 H new ATOM 0 HZ PHE A 25 -7.157 -7.589 -1.171 1.00 52.35 H new ATOM 422 N CYS A 26 -2.349 -6.254 -3.344 1.00 74.21 N ATOM 423 CA CYS A 26 -1.859 -5.124 -2.563 1.00 22.53 C ATOM 424 C CYS A 26 -1.927 -5.426 -1.069 1.00 52.11 C ATOM 425 O CYS A 26 -2.878 -6.047 -0.593 1.00 62.13 O ATOM 426 CB CYS A 26 -2.671 -3.868 -2.879 1.00 43.33 C ATOM 427 SG CYS A 26 -1.832 -2.706 -3.983 1.00 15.03 S ATOM 0 H CYS A 26 -3.364 -6.295 -3.435 1.00 74.21 H new ATOM 0 HA CYS A 26 -0.817 -4.951 -2.834 1.00 22.53 H new ATOM 0 HB2 CYS A 26 -3.617 -4.164 -3.332 1.00 43.33 H new ATOM 0 HB3 CYS A 26 -2.910 -3.358 -1.946 1.00 43.33 H new ATOM 0 HG CYS A 26 -2.598 -1.677 -4.193 1.00 15.03 H new ATOM 433 N PHE A 27 -0.912 -4.983 -0.334 1.00 72.34 N ATOM 434 CA PHE A 27 -0.856 -5.208 1.105 1.00 5.13 C ATOM 435 C PHE A 27 -1.946 -4.417 1.823 1.00 61.35 C ATOM 436 O PHE A 27 -2.236 -4.661 2.994 1.00 44.31 O ATOM 437 CB PHE A 27 0.519 -4.814 1.651 1.00 54.53 C ATOM 438 CG PHE A 27 0.867 -5.491 2.945 1.00 70.40 C ATOM 439 CD1 PHE A 27 0.413 -4.984 4.152 1.00 62.41 C ATOM 440 CD2 PHE A 27 1.649 -6.635 2.955 1.00 72.34 C ATOM 441 CE1 PHE A 27 0.732 -5.606 5.345 1.00 54.02 C ATOM 442 CE2 PHE A 27 1.970 -7.261 4.144 1.00 21.31 C ATOM 443 CZ PHE A 27 1.512 -6.745 5.341 1.00 70.43 C ATOM 0 H PHE A 27 -0.118 -4.466 -0.712 1.00 72.34 H new ATOM 0 HA PHE A 27 -1.022 -6.270 1.288 1.00 5.13 H new ATOM 0 HB2 PHE A 27 1.279 -5.056 0.908 1.00 54.53 H new ATOM 0 HB3 PHE A 27 0.547 -3.734 1.796 1.00 54.53 H new ATOM 0 HD1 PHE A 27 -0.197 -4.093 4.161 1.00 62.41 H new ATOM 0 HD2 PHE A 27 2.012 -7.042 2.023 1.00 72.34 H new ATOM 0 HE1 PHE A 27 0.371 -5.201 6.279 1.00 54.02 H new ATOM 0 HE2 PHE A 27 2.579 -8.153 4.138 1.00 21.31 H new ATOM 0 HZ PHE A 27 1.764 -7.232 6.272 1.00 70.43 H new ATOM 453 N SER A 28 -2.546 -3.469 1.110 1.00 35.15 N ATOM 454 CA SER A 28 -3.602 -2.639 1.679 1.00 1.12 C ATOM 455 C SER A 28 -4.778 -3.495 2.138 1.00 14.13 C ATOM 456 O SER A 28 -4.947 -4.640 1.718 1.00 13.13 O ATOM 457 CB SER A 28 -4.077 -1.607 0.654 1.00 25.21 C ATOM 458 OG SER A 28 -3.318 -0.414 0.743 1.00 10.41 O ATOM 0 H SER A 28 -2.319 -3.257 0.138 1.00 35.15 H new ATOM 0 HA SER A 28 -3.194 -2.119 2.545 1.00 1.12 H new ATOM 0 HB2 SER A 28 -3.992 -2.022 -0.350 1.00 25.21 H new ATOM 0 HB3 SER A 28 -5.131 -1.384 0.819 1.00 25.21 H new ATOM 0 HG SER A 28 -3.640 0.229 0.077 1.00 10.41 H new ATOM 464 N PRO A 29 -5.612 -2.927 3.022 1.00 34.53 N ATOM 465 CA PRO A 29 -6.788 -3.620 3.558 1.00 13.42 C ATOM 466 C PRO A 29 -7.876 -3.813 2.507 1.00 13.44 C ATOM 467 O PRO A 29 -8.431 -4.902 2.369 1.00 32.10 O ATOM 468 CB PRO A 29 -7.276 -2.684 4.667 1.00 2.22 C ATOM 469 CG PRO A 29 -6.781 -1.336 4.270 1.00 4.04 C ATOM 470 CD PRO A 29 -5.472 -1.566 3.566 1.00 31.33 C ATOM 0 HA PRO A 29 -6.546 -4.625 3.905 1.00 13.42 H new ATOM 0 HB2 PRO A 29 -8.363 -2.699 4.748 1.00 2.22 H new ATOM 0 HB3 PRO A 29 -6.880 -2.981 5.638 1.00 2.22 H new ATOM 0 HG2 PRO A 29 -7.494 -0.836 3.614 1.00 4.04 H new ATOM 0 HG3 PRO A 29 -6.648 -0.697 5.143 1.00 4.04 H new ATOM 0 HD2 PRO A 29 -5.306 -0.833 2.777 1.00 31.33 H new ATOM 0 HD3 PRO A 29 -4.628 -1.492 4.252 1.00 31.33 H new ATOM 478 N GLU A 30 -8.176 -2.748 1.770 1.00 64.05 N ATOM 479 CA GLU A 30 -9.198 -2.802 0.731 1.00 31.04 C ATOM 480 C GLU A 30 -8.875 -1.832 -0.401 1.00 53.42 C ATOM 481 O GLU A 30 -8.192 -0.825 -0.214 1.00 13.40 O ATOM 482 CB GLU A 30 -10.572 -2.477 1.321 1.00 53.55 C ATOM 483 CG GLU A 30 -10.988 -3.408 2.447 1.00 4.41 C ATOM 484 CD GLU A 30 -12.323 -3.027 3.056 1.00 0.13 C ATOM 485 OE1 GLU A 30 -13.171 -2.472 2.326 1.00 3.22 O ATOM 486 OE2 GLU A 30 -12.520 -3.283 4.262 1.00 34.43 O ATOM 0 H GLU A 30 -7.726 -1.838 1.873 1.00 64.05 H new ATOM 0 HA GLU A 30 -9.215 -3.813 0.325 1.00 31.04 H new ATOM 0 HB2 GLU A 30 -10.565 -1.452 1.692 1.00 53.55 H new ATOM 0 HB3 GLU A 30 -11.319 -2.524 0.528 1.00 53.55 H new ATOM 0 HG2 GLU A 30 -11.044 -4.428 2.068 1.00 4.41 H new ATOM 0 HG3 GLU A 30 -10.223 -3.398 3.223 1.00 4.41 H new ATOM 493 N PRO A 31 -9.377 -2.141 -1.606 1.00 14.01 N ATOM 494 CA PRO A 31 -9.156 -1.310 -2.793 1.00 11.21 C ATOM 495 C PRO A 31 -9.899 0.020 -2.716 1.00 63.22 C ATOM 496 O PRO A 31 -9.322 1.078 -2.966 1.00 32.20 O ATOM 497 CB PRO A 31 -9.710 -2.167 -3.934 1.00 40.52 C ATOM 498 CG PRO A 31 -10.717 -3.054 -3.288 1.00 11.45 C ATOM 499 CD PRO A 31 -10.200 -3.326 -1.902 1.00 13.21 C ATOM 0 HA PRO A 31 -8.106 -1.042 -2.914 1.00 11.21 H new ATOM 0 HB2 PRO A 31 -10.165 -1.549 -4.708 1.00 40.52 H new ATOM 0 HB3 PRO A 31 -8.921 -2.747 -4.413 1.00 40.52 H new ATOM 0 HG2 PRO A 31 -11.695 -2.574 -3.253 1.00 11.45 H new ATOM 0 HG3 PRO A 31 -10.837 -3.981 -3.849 1.00 11.45 H new ATOM 0 HD2 PRO A 31 -11.013 -3.440 -1.185 1.00 13.21 H new ATOM 0 HD3 PRO A 31 -9.612 -4.243 -1.865 1.00 13.21 H new ATOM 507 N GLU A 32 -11.180 -0.042 -2.369 1.00 34.51 N ATOM 508 CA GLU A 32 -12.001 1.158 -2.260 1.00 1.10 C ATOM 509 C GLU A 32 -12.473 1.366 -0.824 1.00 35.30 C ATOM 510 O GLU A 32 -12.404 0.455 0.001 1.00 11.42 O ATOM 511 CB GLU A 32 -13.207 1.065 -3.197 1.00 41.21 C ATOM 512 CG GLU A 32 -13.819 2.414 -3.537 1.00 32.34 C ATOM 513 CD GLU A 32 -12.800 3.398 -4.076 1.00 4.24 C ATOM 514 OE1 GLU A 32 -12.595 3.427 -5.307 1.00 24.41 O ATOM 515 OE2 GLU A 32 -12.207 4.141 -3.265 1.00 23.31 O ATOM 0 H GLU A 32 -11.672 -0.910 -2.158 1.00 34.51 H new ATOM 0 HA GLU A 32 -11.390 2.013 -2.550 1.00 1.10 H new ATOM 0 HB2 GLU A 32 -12.902 0.571 -4.120 1.00 41.21 H new ATOM 0 HB3 GLU A 32 -13.968 0.436 -2.735 1.00 41.21 H new ATOM 0 HG2 GLU A 32 -14.609 2.275 -4.275 1.00 32.34 H new ATOM 0 HG3 GLU A 32 -14.286 2.832 -2.645 1.00 32.34 H new ATOM 522 N ALA A 33 -12.953 2.570 -0.534 1.00 15.54 N ATOM 523 CA ALA A 33 -13.439 2.898 0.801 1.00 1.02 C ATOM 524 C ALA A 33 -14.928 3.225 0.779 1.00 51.32 C ATOM 525 O ALA A 33 -15.640 2.984 1.753 1.00 71.42 O ATOM 526 CB ALA A 33 -12.649 4.063 1.379 1.00 51.22 C ATOM 0 H ALA A 33 -13.016 3.335 -1.206 1.00 15.54 H new ATOM 0 HA ALA A 33 -13.295 2.025 1.437 1.00 1.02 H new ATOM 0 HB1 ALA A 33 -13.023 4.297 2.376 1.00 51.22 H new ATOM 0 HB2 ALA A 33 -11.595 3.793 1.441 1.00 51.22 H new ATOM 0 HB3 ALA A 33 -12.763 4.935 0.735 1.00 51.22 H new ATOM 532 N GLU A 34 -15.391 3.777 -0.338 1.00 74.15 N ATOM 533 CA GLU A 34 -16.796 4.138 -0.485 1.00 54.54 C ATOM 534 C GLU A 34 -17.580 3.014 -1.156 1.00 52.14 C ATOM 535 O GLU A 34 -18.633 2.602 -0.671 1.00 72.11 O ATOM 536 CB GLU A 34 -16.932 5.426 -1.300 1.00 51.43 C ATOM 537 CG GLU A 34 -16.871 6.689 -0.457 1.00 54.24 C ATOM 538 CD GLU A 34 -16.582 7.928 -1.283 1.00 21.04 C ATOM 539 OE1 GLU A 34 -15.512 7.975 -1.926 1.00 12.14 O ATOM 540 OE2 GLU A 34 -17.424 8.850 -1.285 1.00 71.14 O ATOM 0 H GLU A 34 -14.814 3.984 -1.154 1.00 74.15 H new ATOM 0 HA GLU A 34 -17.208 4.301 0.511 1.00 54.54 H new ATOM 0 HB2 GLU A 34 -16.139 5.459 -2.047 1.00 51.43 H new ATOM 0 HB3 GLU A 34 -17.878 5.406 -1.841 1.00 51.43 H new ATOM 0 HG2 GLU A 34 -17.818 6.818 0.066 1.00 54.24 H new ATOM 0 HG3 GLU A 34 -16.099 6.576 0.304 1.00 54.24 H new ATOM 547 N ALA A 35 -17.058 2.523 -2.276 1.00 13.32 N ATOM 548 CA ALA A 35 -17.707 1.446 -3.013 1.00 53.41 C ATOM 549 C ALA A 35 -17.855 0.200 -2.148 1.00 22.45 C ATOM 550 O ALA A 35 -18.899 -0.451 -2.153 1.00 71.43 O ATOM 551 CB ALA A 35 -16.923 1.124 -4.276 1.00 50.45 C ATOM 0 H ALA A 35 -16.188 2.854 -2.692 1.00 13.32 H new ATOM 0 HA ALA A 35 -18.705 1.782 -3.294 1.00 53.41 H new ATOM 0 HB1 ALA A 35 -17.419 0.318 -4.817 1.00 50.45 H new ATOM 0 HB2 ALA A 35 -16.874 2.010 -4.910 1.00 50.45 H new ATOM 0 HB3 ALA A 35 -15.913 0.813 -4.008 1.00 50.45 H new ATOM 557 N ALA A 36 -16.802 -0.127 -1.405 1.00 33.50 N ATOM 558 CA ALA A 36 -16.816 -1.296 -0.533 1.00 43.43 C ATOM 559 C ALA A 36 -18.040 -1.288 0.375 1.00 33.54 C ATOM 560 O ALA A 36 -18.229 -0.369 1.171 1.00 11.10 O ATOM 561 CB ALA A 36 -15.541 -1.350 0.296 1.00 71.11 C ATOM 0 H ALA A 36 -15.929 0.401 -1.389 1.00 33.50 H new ATOM 0 HA ALA A 36 -16.867 -2.186 -1.160 1.00 43.43 H new ATOM 0 HB1 ALA A 36 -15.564 -2.227 0.943 1.00 71.11 H new ATOM 0 HB2 ALA A 36 -14.678 -1.411 -0.367 1.00 71.11 H new ATOM 0 HB3 ALA A 36 -15.466 -0.451 0.907 1.00 71.11 H new ATOM 567 N ALA A 37 -18.870 -2.319 0.251 1.00 61.23 N ATOM 568 CA ALA A 37 -20.076 -2.432 1.062 1.00 43.21 C ATOM 569 C ALA A 37 -19.954 -3.568 2.071 1.00 33.51 C ATOM 570 O ALA A 37 -20.876 -4.367 2.235 1.00 24.20 O ATOM 571 CB ALA A 37 -21.292 -2.641 0.173 1.00 55.34 C ATOM 0 H ALA A 37 -18.729 -3.088 -0.404 1.00 61.23 H new ATOM 0 HA ALA A 37 -20.201 -1.501 1.616 1.00 43.21 H new ATOM 0 HB1 ALA A 37 -22.185 -2.724 0.792 1.00 55.34 H new ATOM 0 HB2 ALA A 37 -21.397 -1.794 -0.505 1.00 55.34 H new ATOM 0 HB3 ALA A 37 -21.166 -3.556 -0.406 1.00 55.34 H new ATOM 577 N GLY A 38 -18.810 -3.636 2.745 1.00 13.45 N ATOM 578 CA GLY A 38 -18.589 -4.679 3.730 1.00 55.03 C ATOM 579 C GLY A 38 -17.297 -5.435 3.493 1.00 0.13 C ATOM 580 O GLY A 38 -16.301 -5.236 4.189 1.00 63.42 O ATOM 0 H GLY A 38 -18.032 -2.987 2.626 1.00 13.45 H new ATOM 0 HA2 GLY A 38 -18.570 -4.236 4.726 1.00 55.03 H new ATOM 0 HA3 GLY A 38 -19.425 -5.378 3.708 1.00 55.03 H new ATOM 584 N PRO A 39 -17.303 -6.326 2.491 1.00 32.52 N ATOM 585 CA PRO A 39 -16.130 -7.134 2.143 1.00 52.33 C ATOM 586 C PRO A 39 -15.015 -6.298 1.523 1.00 20.43 C ATOM 587 O PRO A 39 -15.087 -5.071 1.498 1.00 43.41 O ATOM 588 CB PRO A 39 -16.679 -8.134 1.122 1.00 23.23 C ATOM 589 CG PRO A 39 -17.862 -7.455 0.524 1.00 31.12 C ATOM 590 CD PRO A 39 -18.456 -6.615 1.621 1.00 45.20 C ATOM 0 HA PRO A 39 -15.682 -7.602 3.020 1.00 52.33 H new ATOM 0 HB2 PRO A 39 -15.934 -8.373 0.363 1.00 23.23 H new ATOM 0 HB3 PRO A 39 -16.961 -9.073 1.599 1.00 23.23 H new ATOM 0 HG2 PRO A 39 -17.570 -6.838 -0.325 1.00 31.12 H new ATOM 0 HG3 PRO A 39 -18.585 -8.183 0.155 1.00 31.12 H new ATOM 0 HD2 PRO A 39 -18.904 -5.701 1.230 1.00 45.20 H new ATOM 0 HD3 PRO A 39 -19.240 -7.150 2.157 1.00 45.20 H new ATOM 598 N GLY A 40 -13.984 -6.973 1.024 1.00 61.23 N ATOM 599 CA GLY A 40 -12.868 -6.276 0.411 1.00 72.44 C ATOM 600 C GLY A 40 -11.859 -7.226 -0.204 1.00 41.30 C ATOM 601 O GLY A 40 -11.773 -7.370 -1.424 1.00 31.03 O ATOM 0 H GLY A 40 -13.902 -7.990 1.033 1.00 61.23 H new ATOM 0 HA2 GLY A 40 -13.243 -5.601 -0.358 1.00 72.44 H new ATOM 0 HA3 GLY A 40 -12.372 -5.660 1.161 1.00 72.44 H new ATOM 605 N PRO A 41 -11.070 -7.892 0.652 1.00 71.31 N ATOM 606 CA PRO A 41 -10.046 -8.843 0.208 1.00 35.34 C ATOM 607 C PRO A 41 -10.651 -10.115 -0.377 1.00 52.44 C ATOM 608 O PRO A 41 -10.256 -10.562 -1.455 1.00 21.14 O ATOM 609 CB PRO A 41 -9.276 -9.160 1.493 1.00 74.12 C ATOM 610 CG PRO A 41 -10.249 -8.903 2.591 1.00 15.11 C ATOM 611 CD PRO A 41 -11.117 -7.769 2.119 1.00 72.45 C ATOM 0 HA PRO A 41 -9.425 -8.431 -0.588 1.00 35.34 H new ATOM 0 HB2 PRO A 41 -8.932 -10.194 1.503 1.00 74.12 H new ATOM 0 HB3 PRO A 41 -8.393 -8.529 1.591 1.00 74.12 H new ATOM 0 HG2 PRO A 41 -10.846 -9.791 2.799 1.00 15.11 H new ATOM 0 HG3 PRO A 41 -9.734 -8.642 3.515 1.00 15.11 H new ATOM 0 HD2 PRO A 41 -12.135 -7.858 2.497 1.00 72.45 H new ATOM 0 HD3 PRO A 41 -10.736 -6.804 2.454 1.00 72.45 H new ATOM 619 N CYS A 42 -11.611 -10.691 0.337 1.00 21.33 N ATOM 620 CA CYS A 42 -12.270 -11.912 -0.112 1.00 73.33 C ATOM 621 C CYS A 42 -12.942 -11.701 -1.465 1.00 15.21 C ATOM 622 O CYS A 42 -12.673 -12.425 -2.422 1.00 61.32 O ATOM 623 CB CYS A 42 -13.304 -12.368 0.919 1.00 41.21 C ATOM 624 SG CYS A 42 -14.276 -13.803 0.405 1.00 21.33 S ATOM 0 H CYS A 42 -11.951 -10.332 1.229 1.00 21.33 H new ATOM 0 HA CYS A 42 -11.510 -12.686 -0.220 1.00 73.33 H new ATOM 0 HB2 CYS A 42 -12.791 -12.605 1.851 1.00 41.21 H new ATOM 0 HB3 CYS A 42 -13.981 -11.540 1.129 1.00 41.21 H new ATOM 0 HG CYS A 42 -15.513 -13.643 0.771 1.00 21.33 H new ATOM 630 N GLU A 43 -13.820 -10.704 -1.535 1.00 23.33 N ATOM 631 CA GLU A 43 -14.532 -10.400 -2.770 1.00 12.11 C ATOM 632 C GLU A 43 -13.555 -10.072 -3.895 1.00 41.31 C ATOM 633 O GLU A 43 -13.845 -10.299 -5.070 1.00 32.03 O ATOM 634 CB GLU A 43 -15.492 -9.228 -2.555 1.00 53.15 C ATOM 635 CG GLU A 43 -16.113 -8.707 -3.841 1.00 11.44 C ATOM 636 CD GLU A 43 -17.112 -7.592 -3.596 1.00 22.11 C ATOM 637 OE1 GLU A 43 -16.990 -6.902 -2.563 1.00 1.24 O ATOM 638 OE2 GLU A 43 -18.015 -7.411 -4.439 1.00 14.53 O ATOM 0 H GLU A 43 -14.054 -10.094 -0.752 1.00 23.33 H new ATOM 0 HA GLU A 43 -15.105 -11.282 -3.056 1.00 12.11 H new ATOM 0 HB2 GLU A 43 -16.287 -9.540 -1.878 1.00 53.15 H new ATOM 0 HB3 GLU A 43 -14.956 -8.415 -2.065 1.00 53.15 H new ATOM 0 HG2 GLU A 43 -15.324 -8.345 -4.500 1.00 11.44 H new ATOM 0 HG3 GLU A 43 -16.610 -9.528 -4.359 1.00 11.44 H new ATOM 645 N ARG A 44 -12.396 -9.535 -3.527 1.00 31.44 N ATOM 646 CA ARG A 44 -11.376 -9.174 -4.504 1.00 14.01 C ATOM 647 C ARG A 44 -10.675 -10.417 -5.043 1.00 21.32 C ATOM 648 O ARG A 44 -10.585 -10.616 -6.255 1.00 61.11 O ATOM 649 CB ARG A 44 -10.351 -8.228 -3.876 1.00 63.24 C ATOM 650 CG ARG A 44 -10.692 -6.757 -4.051 1.00 21.45 C ATOM 651 CD ARG A 44 -10.103 -6.197 -5.336 1.00 21.23 C ATOM 652 NE ARG A 44 -11.003 -6.372 -6.472 1.00 71.43 N ATOM 653 CZ ARG A 44 -10.619 -6.259 -7.739 1.00 5.33 C ATOM 654 NH1 ARG A 44 -9.357 -5.972 -8.029 1.00 10.23 N ATOM 655 NH2 ARG A 44 -11.497 -6.433 -8.718 1.00 43.41 N ATOM 0 H ARG A 44 -12.140 -9.340 -2.559 1.00 31.44 H new ATOM 0 HA ARG A 44 -11.867 -8.667 -5.335 1.00 14.01 H new ATOM 0 HB2 ARG A 44 -10.269 -8.449 -2.812 1.00 63.24 H new ATOM 0 HB3 ARG A 44 -9.373 -8.421 -4.318 1.00 63.24 H new ATOM 0 HG2 ARG A 44 -11.775 -6.632 -4.061 1.00 21.45 H new ATOM 0 HG3 ARG A 44 -10.314 -6.191 -3.200 1.00 21.45 H new ATOM 0 HD2 ARG A 44 -9.888 -5.137 -5.204 1.00 21.23 H new ATOM 0 HD3 ARG A 44 -9.154 -6.691 -5.546 1.00 21.23 H new ATOM 0 HE ARG A 44 -11.981 -6.593 -6.283 1.00 71.43 H new ATOM 0 HH11 ARG A 44 -8.679 -5.838 -7.279 1.00 10.23 H new ATOM 0 HH12 ARG A 44 -9.064 -5.886 -9.002 1.00 10.23 H new ATOM 0 HH21 ARG A 44 -12.468 -6.654 -8.499 1.00 43.41 H new ATOM 0 HH22 ARG A 44 -11.201 -6.346 -9.690 1.00 43.41 H new ATOM 669 N LEU A 45 -10.179 -11.251 -4.135 1.00 11.41 N ATOM 670 CA LEU A 45 -9.485 -12.475 -4.518 1.00 42.04 C ATOM 671 C LEU A 45 -10.412 -13.407 -5.293 1.00 5.23 C ATOM 672 O LEU A 45 -10.061 -13.896 -6.368 1.00 14.34 O ATOM 673 CB LEU A 45 -8.945 -13.189 -3.278 1.00 15.23 C ATOM 674 CG LEU A 45 -8.657 -14.682 -3.435 1.00 33.33 C ATOM 675 CD1 LEU A 45 -7.608 -14.913 -4.510 1.00 65.25 C ATOM 676 CD2 LEU A 45 -8.207 -15.281 -2.110 1.00 42.31 C ATOM 0 H LEU A 45 -10.245 -11.101 -3.128 1.00 11.41 H new ATOM 0 HA LEU A 45 -8.651 -12.203 -5.164 1.00 42.04 H new ATOM 0 HB2 LEU A 45 -8.025 -12.693 -2.969 1.00 15.23 H new ATOM 0 HB3 LEU A 45 -9.663 -13.061 -2.468 1.00 15.23 H new ATOM 0 HG LEU A 45 -9.577 -15.179 -3.742 1.00 33.33 H new ATOM 0 HD11 LEU A 45 -7.416 -15.982 -4.607 1.00 65.25 H new ATOM 0 HD12 LEU A 45 -7.969 -14.521 -5.461 1.00 65.25 H new ATOM 0 HD13 LEU A 45 -6.685 -14.402 -4.234 1.00 65.25 H new ATOM 0 HD21 LEU A 45 -8.006 -16.344 -2.241 1.00 42.31 H new ATOM 0 HD22 LEU A 45 -7.300 -14.779 -1.773 1.00 42.31 H new ATOM 0 HD23 LEU A 45 -8.992 -15.149 -1.366 1.00 42.31 H new ATOM 688 N LEU A 46 -11.596 -13.647 -4.741 1.00 22.11 N ATOM 689 CA LEU A 46 -12.575 -14.519 -5.381 1.00 12.23 C ATOM 690 C LEU A 46 -12.917 -14.019 -6.781 1.00 4.13 C ATOM 691 O LEU A 46 -13.372 -14.785 -7.630 1.00 52.51 O ATOM 692 CB LEU A 46 -13.845 -14.601 -4.532 1.00 53.22 C ATOM 693 CG LEU A 46 -13.728 -15.380 -3.222 1.00 2.55 C ATOM 694 CD1 LEU A 46 -15.064 -15.408 -2.496 1.00 71.30 C ATOM 695 CD2 LEU A 46 -13.231 -16.794 -3.484 1.00 42.40 C ATOM 0 H LEU A 46 -11.901 -13.250 -3.852 1.00 22.11 H new ATOM 0 HA LEU A 46 -12.138 -15.514 -5.468 1.00 12.23 H new ATOM 0 HB2 LEU A 46 -14.169 -13.586 -4.300 1.00 53.22 H new ATOM 0 HB3 LEU A 46 -14.631 -15.057 -5.134 1.00 53.22 H new ATOM 0 HG LEU A 46 -13.002 -14.874 -2.585 1.00 2.55 H new ATOM 0 HD11 LEU A 46 -14.961 -15.967 -1.566 1.00 71.30 H new ATOM 0 HD12 LEU A 46 -15.379 -14.388 -2.274 1.00 71.30 H new ATOM 0 HD13 LEU A 46 -15.811 -15.889 -3.127 1.00 71.30 H new ATOM 0 HD21 LEU A 46 -13.154 -17.333 -2.540 1.00 42.40 H new ATOM 0 HD22 LEU A 46 -13.931 -17.310 -4.141 1.00 42.40 H new ATOM 0 HD23 LEU A 46 -12.251 -16.753 -3.959 1.00 42.40 H new ATOM 707 N SER A 47 -12.691 -12.730 -7.015 1.00 14.14 N ATOM 708 CA SER A 47 -12.977 -12.127 -8.311 1.00 64.14 C ATOM 709 C SER A 47 -11.933 -12.541 -9.344 1.00 43.12 C ATOM 710 O SER A 47 -12.267 -12.880 -10.480 1.00 12.54 O ATOM 711 CB SER A 47 -13.015 -10.602 -8.191 1.00 73.43 C ATOM 712 OG SER A 47 -14.330 -10.109 -8.382 1.00 30.11 O ATOM 0 H SER A 47 -12.311 -12.084 -6.324 1.00 14.14 H new ATOM 0 HA SER A 47 -13.953 -12.482 -8.642 1.00 64.14 H new ATOM 0 HB2 SER A 47 -12.650 -10.302 -7.209 1.00 73.43 H new ATOM 0 HB3 SER A 47 -12.346 -10.159 -8.929 1.00 73.43 H new ATOM 0 HG SER A 47 -14.329 -9.133 -8.299 1.00 30.11 H new ATOM 718 N ARG A 48 -10.667 -12.511 -8.941 1.00 44.44 N ATOM 719 CA ARG A 48 -9.573 -12.881 -9.831 1.00 43.12 C ATOM 720 C ARG A 48 -9.604 -14.375 -10.139 1.00 32.12 C ATOM 721 O ARG A 48 -9.555 -14.782 -11.300 1.00 5.13 O ATOM 722 CB ARG A 48 -8.228 -12.507 -9.205 1.00 13.44 C ATOM 723 CG ARG A 48 -8.219 -11.130 -8.560 1.00 61.01 C ATOM 724 CD ARG A 48 -8.664 -10.054 -9.538 1.00 44.12 C ATOM 725 NE ARG A 48 -7.746 -9.927 -10.667 1.00 64.20 N ATOM 726 CZ ARG A 48 -7.888 -9.026 -11.633 1.00 32.05 C ATOM 727 NH1 ARG A 48 -8.906 -8.177 -11.606 1.00 40.23 N ATOM 728 NH2 ARG A 48 -7.011 -8.973 -12.627 1.00 10.22 N ATOM 0 H ARG A 48 -10.374 -12.234 -8.004 1.00 44.44 H new ATOM 0 HA ARG A 48 -9.697 -12.332 -10.764 1.00 43.12 H new ATOM 0 HB2 ARG A 48 -7.966 -13.253 -8.454 1.00 13.44 H new ATOM 0 HB3 ARG A 48 -7.456 -12.544 -9.974 1.00 13.44 H new ATOM 0 HG2 ARG A 48 -8.878 -11.129 -7.692 1.00 61.01 H new ATOM 0 HG3 ARG A 48 -7.216 -10.903 -8.199 1.00 61.01 H new ATOM 0 HD2 ARG A 48 -9.662 -10.290 -9.907 1.00 44.12 H new ATOM 0 HD3 ARG A 48 -8.734 -9.098 -9.018 1.00 44.12 H new ATOM 0 HE ARG A 48 -6.952 -10.565 -10.717 1.00 64.20 H new ATOM 0 HH11 ARG A 48 -9.582 -8.215 -10.843 1.00 40.23 H new ATOM 0 HH12 ARG A 48 -9.014 -7.486 -12.348 1.00 40.23 H new ATOM 0 HH21 ARG A 48 -6.227 -9.624 -12.650 1.00 10.22 H new ATOM 0 HH22 ARG A 48 -7.121 -8.281 -13.368 1.00 10.22 H new ATOM 742 N VAL A 49 -9.686 -15.188 -9.091 1.00 35.35 N ATOM 743 CA VAL A 49 -9.725 -16.637 -9.248 1.00 71.32 C ATOM 744 C VAL A 49 -10.764 -17.050 -10.285 1.00 44.33 C ATOM 745 O VAL A 49 -10.592 -18.045 -10.988 1.00 74.30 O ATOM 746 CB VAL A 49 -10.041 -17.339 -7.914 1.00 14.21 C ATOM 747 CG1 VAL A 49 -10.039 -18.849 -8.091 1.00 75.51 C ATOM 748 CG2 VAL A 49 -9.047 -16.918 -6.842 1.00 61.14 C ATOM 0 H VAL A 49 -9.727 -14.868 -8.123 1.00 35.35 H new ATOM 0 HA VAL A 49 -8.735 -16.945 -9.586 1.00 71.32 H new ATOM 0 HB VAL A 49 -11.038 -17.037 -7.592 1.00 14.21 H new ATOM 0 HG11 VAL A 49 -10.264 -19.327 -7.138 1.00 75.51 H new ATOM 0 HG12 VAL A 49 -10.794 -19.130 -8.825 1.00 75.51 H new ATOM 0 HG13 VAL A 49 -9.058 -19.173 -8.437 1.00 75.51 H new ATOM 0 HG21 VAL A 49 -9.285 -17.424 -5.906 1.00 61.14 H new ATOM 0 HG22 VAL A 49 -8.038 -17.189 -7.154 1.00 61.14 H new ATOM 0 HG23 VAL A 49 -9.104 -15.839 -6.696 1.00 61.14 H new ATOM 758 N ALA A 50 -11.841 -16.277 -10.376 1.00 10.14 N ATOM 759 CA ALA A 50 -12.907 -16.560 -11.329 1.00 23.22 C ATOM 760 C ALA A 50 -12.443 -16.314 -12.760 1.00 43.53 C ATOM 761 O ALA A 50 -12.570 -17.182 -13.623 1.00 64.33 O ATOM 762 CB ALA A 50 -14.133 -15.715 -11.016 1.00 62.23 C ATOM 0 H ALA A 50 -11.998 -15.449 -9.801 1.00 10.14 H new ATOM 0 HA ALA A 50 -13.173 -17.613 -11.237 1.00 23.22 H new ATOM 0 HB1 ALA A 50 -14.921 -15.937 -11.736 1.00 62.23 H new ATOM 0 HB2 ALA A 50 -14.485 -15.944 -10.010 1.00 62.23 H new ATOM 0 HB3 ALA A 50 -13.872 -14.658 -11.078 1.00 62.23 H new ATOM 768 N VAL A 51 -11.905 -15.123 -13.006 1.00 62.14 N ATOM 769 CA VAL A 51 -11.421 -14.762 -14.334 1.00 34.23 C ATOM 770 C VAL A 51 -10.159 -15.540 -14.689 1.00 53.12 C ATOM 771 O VAL A 51 -9.826 -15.701 -15.864 1.00 72.11 O ATOM 772 CB VAL A 51 -11.127 -13.254 -14.433 1.00 4.43 C ATOM 773 CG1 VAL A 51 -10.180 -12.821 -13.324 1.00 2.53 C ATOM 774 CG2 VAL A 51 -10.552 -12.912 -15.799 1.00 70.02 C ATOM 0 H VAL A 51 -11.793 -14.392 -12.303 1.00 62.14 H new ATOM 0 HA VAL A 51 -12.212 -15.017 -15.040 1.00 34.23 H new ATOM 0 HB VAL A 51 -12.064 -12.710 -14.312 1.00 4.43 H new ATOM 0 HG11 VAL A 51 -9.984 -11.752 -13.410 1.00 2.53 H new ATOM 0 HG12 VAL A 51 -10.634 -13.030 -12.355 1.00 2.53 H new ATOM 0 HG13 VAL A 51 -9.243 -13.370 -13.411 1.00 2.53 H new ATOM 0 HG21 VAL A 51 -10.350 -11.842 -15.851 1.00 70.02 H new ATOM 0 HG22 VAL A 51 -9.625 -13.464 -15.952 1.00 70.02 H new ATOM 0 HG23 VAL A 51 -11.269 -13.184 -16.574 1.00 70.02 H new ATOM 784 N LEU A 52 -9.460 -16.021 -13.667 1.00 72.02 N ATOM 785 CA LEU A 52 -8.233 -16.784 -13.871 1.00 54.30 C ATOM 786 C LEU A 52 -8.542 -18.260 -14.100 1.00 44.10 C ATOM 787 O LEU A 52 -7.853 -18.938 -14.863 1.00 2.40 O ATOM 788 CB LEU A 52 -7.305 -16.626 -12.665 1.00 52.24 C ATOM 789 CG LEU A 52 -6.793 -15.211 -12.393 1.00 55.21 C ATOM 790 CD1 LEU A 52 -6.191 -15.120 -11.000 1.00 24.22 C ATOM 791 CD2 LEU A 52 -5.773 -14.801 -13.445 1.00 55.23 C ATOM 0 H LEU A 52 -9.721 -15.896 -12.689 1.00 72.02 H new ATOM 0 HA LEU A 52 -7.735 -16.394 -14.759 1.00 54.30 H new ATOM 0 HB2 LEU A 52 -7.832 -16.977 -11.778 1.00 52.24 H new ATOM 0 HB3 LEU A 52 -6.445 -17.281 -12.805 1.00 52.24 H new ATOM 0 HG LEU A 52 -7.637 -14.523 -12.447 1.00 55.21 H new ATOM 0 HD11 LEU A 52 -5.832 -14.106 -10.824 1.00 24.22 H new ATOM 0 HD12 LEU A 52 -6.950 -15.370 -10.259 1.00 24.22 H new ATOM 0 HD13 LEU A 52 -5.359 -15.819 -10.917 1.00 24.22 H new ATOM 0 HD21 LEU A 52 -5.420 -13.791 -13.235 1.00 55.23 H new ATOM 0 HD22 LEU A 52 -4.930 -15.492 -13.424 1.00 55.23 H new ATOM 0 HD23 LEU A 52 -6.237 -14.825 -14.431 1.00 55.23 H new ATOM 803 N PHE A 53 -9.582 -18.752 -13.436 1.00 13.31 N ATOM 804 CA PHE A 53 -9.983 -20.148 -13.568 1.00 10.41 C ATOM 805 C PHE A 53 -11.378 -20.258 -14.176 1.00 13.34 C ATOM 806 O PHE A 53 -12.346 -20.625 -13.509 1.00 52.50 O ATOM 807 CB PHE A 53 -9.952 -20.840 -12.204 1.00 35.12 C ATOM 808 CG PHE A 53 -8.571 -20.968 -11.627 1.00 74.45 C ATOM 809 CD1 PHE A 53 -7.720 -21.976 -12.052 1.00 40.41 C ATOM 810 CD2 PHE A 53 -8.125 -20.082 -10.661 1.00 21.14 C ATOM 811 CE1 PHE A 53 -6.448 -22.096 -11.524 1.00 73.30 C ATOM 812 CE2 PHE A 53 -6.854 -20.198 -10.129 1.00 53.43 C ATOM 813 CZ PHE A 53 -6.015 -21.207 -10.561 1.00 14.44 C ATOM 0 H PHE A 53 -10.163 -18.205 -12.801 1.00 13.31 H new ATOM 0 HA PHE A 53 -9.276 -20.642 -14.234 1.00 10.41 H new ATOM 0 HB2 PHE A 53 -10.577 -20.281 -11.508 1.00 35.12 H new ATOM 0 HB3 PHE A 53 -10.391 -21.833 -12.300 1.00 35.12 H new ATOM 0 HD1 PHE A 53 -8.054 -22.675 -12.804 1.00 40.41 H new ATOM 0 HD2 PHE A 53 -8.777 -19.292 -10.319 1.00 21.14 H new ATOM 0 HE1 PHE A 53 -5.794 -22.885 -11.865 1.00 73.30 H new ATOM 0 HE2 PHE A 53 -6.517 -19.500 -9.376 1.00 53.43 H new ATOM 0 HZ PHE A 53 -5.022 -21.300 -10.146 1.00 14.44 H new ATOM 823 N PRO A 54 -11.486 -19.932 -15.472 1.00 44.04 N ATOM 824 CA PRO A 54 -12.757 -19.986 -16.199 1.00 53.05 C ATOM 825 C PRO A 54 -13.240 -21.416 -16.418 1.00 10.12 C ATOM 826 O PRO A 54 -14.370 -21.640 -16.850 1.00 71.22 O ATOM 827 CB PRO A 54 -12.429 -19.322 -17.539 1.00 65.20 C ATOM 828 CG PRO A 54 -10.963 -19.524 -17.712 1.00 4.52 C ATOM 829 CD PRO A 54 -10.374 -19.486 -16.329 1.00 24.33 C ATOM 0 HA PRO A 54 -13.561 -19.495 -15.650 1.00 53.05 H new ATOM 0 HB2 PRO A 54 -12.991 -19.778 -18.355 1.00 65.20 H new ATOM 0 HB3 PRO A 54 -12.684 -18.262 -17.529 1.00 65.20 H new ATOM 0 HG2 PRO A 54 -10.755 -20.477 -18.199 1.00 4.52 H new ATOM 0 HG3 PRO A 54 -10.533 -18.744 -18.341 1.00 4.52 H new ATOM 0 HD2 PRO A 54 -9.510 -20.145 -16.242 1.00 24.33 H new ATOM 0 HD3 PRO A 54 -10.038 -18.484 -16.063 1.00 24.33 H new ATOM 837 N ALA A 55 -12.376 -22.380 -16.115 1.00 53.35 N ATOM 838 CA ALA A 55 -12.716 -23.788 -16.276 1.00 51.05 C ATOM 839 C ALA A 55 -13.978 -24.141 -15.497 1.00 55.31 C ATOM 840 O ALA A 55 -14.682 -25.094 -15.834 1.00 13.13 O ATOM 841 CB ALA A 55 -11.556 -24.665 -15.830 1.00 63.24 C ATOM 0 H ALA A 55 -11.436 -22.211 -15.757 1.00 53.35 H new ATOM 0 HA ALA A 55 -12.910 -23.971 -17.333 1.00 51.05 H new ATOM 0 HB1 ALA A 55 -11.824 -25.714 -15.956 1.00 63.24 H new ATOM 0 HB2 ALA A 55 -10.677 -24.440 -16.434 1.00 63.24 H new ATOM 0 HB3 ALA A 55 -11.335 -24.470 -14.781 1.00 63.24 H new ATOM 847 N LEU A 56 -14.260 -23.367 -14.454 1.00 65.52 N ATOM 848 CA LEU A 56 -15.438 -23.599 -13.626 1.00 2.23 C ATOM 849 C LEU A 56 -16.327 -22.360 -13.585 1.00 4.21 C ATOM 850 O LEU A 56 -16.063 -21.372 -14.271 1.00 74.21 O ATOM 851 CB LEU A 56 -15.019 -23.987 -12.207 1.00 34.25 C ATOM 852 CG LEU A 56 -14.051 -23.032 -11.507 1.00 75.20 C ATOM 853 CD1 LEU A 56 -14.770 -22.244 -10.423 1.00 4.13 C ATOM 854 CD2 LEU A 56 -12.875 -23.800 -10.921 1.00 14.41 C ATOM 0 H LEU A 56 -13.689 -22.574 -14.162 1.00 65.52 H new ATOM 0 HA LEU A 56 -16.007 -24.417 -14.067 1.00 2.23 H new ATOM 0 HB2 LEU A 56 -15.917 -24.074 -11.596 1.00 34.25 H new ATOM 0 HB3 LEU A 56 -14.560 -24.975 -12.243 1.00 34.25 H new ATOM 0 HG LEU A 56 -13.667 -22.328 -12.245 1.00 75.20 H new ATOM 0 HD11 LEU A 56 -14.066 -21.570 -9.936 1.00 4.13 H new ATOM 0 HD12 LEU A 56 -15.578 -21.664 -10.870 1.00 4.13 H new ATOM 0 HD13 LEU A 56 -15.183 -22.933 -9.686 1.00 4.13 H new ATOM 0 HD21 LEU A 56 -12.196 -23.105 -10.427 1.00 14.41 H new ATOM 0 HD22 LEU A 56 -13.240 -24.528 -10.196 1.00 14.41 H new ATOM 0 HD23 LEU A 56 -12.345 -24.319 -11.720 1.00 14.41 H new ATOM 866 N ARG A 57 -17.378 -22.419 -12.775 1.00 14.12 N ATOM 867 CA ARG A 57 -18.305 -21.301 -12.644 1.00 34.34 C ATOM 868 C ARG A 57 -17.578 -20.044 -12.176 1.00 54.25 C ATOM 869 O ARG A 57 -16.499 -20.104 -11.588 1.00 4.31 O ATOM 870 CB ARG A 57 -19.424 -21.652 -11.661 1.00 0.55 C ATOM 871 CG ARG A 57 -20.523 -22.508 -12.268 1.00 62.11 C ATOM 872 CD ARG A 57 -21.252 -23.315 -11.205 1.00 55.52 C ATOM 873 NE ARG A 57 -22.327 -22.549 -10.579 1.00 5.35 N ATOM 874 CZ ARG A 57 -22.907 -22.897 -9.436 1.00 11.24 C ATOM 875 NH1 ARG A 57 -22.519 -23.992 -8.798 1.00 22.33 N ATOM 876 NH2 ARG A 57 -23.878 -22.148 -8.928 1.00 72.23 N ATOM 0 H ARG A 57 -17.609 -23.229 -12.199 1.00 14.12 H new ATOM 0 HA ARG A 57 -18.740 -21.105 -13.624 1.00 34.34 H new ATOM 0 HB2 ARG A 57 -18.995 -22.178 -10.808 1.00 0.55 H new ATOM 0 HB3 ARG A 57 -19.863 -20.730 -11.279 1.00 0.55 H new ATOM 0 HG2 ARG A 57 -21.234 -21.870 -12.793 1.00 62.11 H new ATOM 0 HG3 ARG A 57 -20.093 -23.183 -13.008 1.00 62.11 H new ATOM 0 HD2 ARG A 57 -21.665 -24.218 -11.655 1.00 55.52 H new ATOM 0 HD3 ARG A 57 -20.542 -23.634 -10.442 1.00 55.52 H new ATOM 0 HE ARG A 57 -22.650 -21.701 -11.045 1.00 5.35 H new ATOM 0 HH11 ARG A 57 -21.773 -24.570 -9.185 1.00 22.33 H new ATOM 0 HH12 ARG A 57 -22.966 -24.256 -7.920 1.00 22.33 H new ATOM 0 HH21 ARG A 57 -24.179 -21.304 -9.416 1.00 72.23 H new ATOM 0 HH22 ARG A 57 -24.323 -22.416 -8.050 1.00 72.23 H new ATOM 890 N PRO A 58 -18.182 -18.877 -12.445 1.00 15.45 N ATOM 891 CA PRO A 58 -17.610 -17.583 -12.060 1.00 55.35 C ATOM 892 C PRO A 58 -17.637 -17.362 -10.552 1.00 2.01 C ATOM 893 O PRO A 58 -16.631 -16.985 -9.952 1.00 51.33 O ATOM 894 CB PRO A 58 -18.518 -16.571 -12.765 1.00 3.32 C ATOM 895 CG PRO A 58 -19.816 -17.281 -12.937 1.00 22.22 C ATOM 896 CD PRO A 58 -19.471 -18.730 -13.143 1.00 23.24 C ATOM 0 HA PRO A 58 -16.560 -17.502 -12.340 1.00 55.35 H new ATOM 0 HB2 PRO A 58 -18.638 -15.665 -12.170 1.00 3.32 H new ATOM 0 HB3 PRO A 58 -18.102 -16.268 -13.726 1.00 3.32 H new ATOM 0 HG2 PRO A 58 -20.451 -17.152 -12.060 1.00 22.22 H new ATOM 0 HG3 PRO A 58 -20.367 -16.886 -13.790 1.00 22.22 H new ATOM 0 HD2 PRO A 58 -20.232 -19.388 -12.724 1.00 23.24 H new ATOM 0 HD3 PRO A 58 -19.385 -18.976 -14.201 1.00 23.24 H new ATOM 904 N GLY A 59 -18.795 -17.600 -9.943 1.00 61.45 N ATOM 905 CA GLY A 59 -18.930 -17.422 -8.510 1.00 21.44 C ATOM 906 C GLY A 59 -19.429 -18.674 -7.815 1.00 12.55 C ATOM 907 O GLY A 59 -19.877 -18.620 -6.670 1.00 11.50 O ATOM 0 H GLY A 59 -19.642 -17.913 -10.417 1.00 61.45 H new ATOM 0 HA2 GLY A 59 -17.966 -17.137 -8.090 1.00 21.44 H new ATOM 0 HA3 GLY A 59 -19.619 -16.601 -8.312 1.00 21.44 H new ATOM 911 N GLY A 60 -19.354 -19.805 -8.509 1.00 43.11 N ATOM 912 CA GLY A 60 -19.807 -21.059 -7.936 1.00 40.20 C ATOM 913 C GLY A 60 -18.659 -21.929 -7.463 1.00 52.41 C ATOM 914 O GLY A 60 -18.553 -23.093 -7.849 1.00 33.03 O ATOM 0 H GLY A 60 -18.987 -19.875 -9.458 1.00 43.11 H new ATOM 0 HA2 GLY A 60 -20.472 -20.852 -7.097 1.00 40.20 H new ATOM 0 HA3 GLY A 60 -20.390 -21.604 -8.678 1.00 40.20 H new ATOM 918 N PHE A 61 -17.796 -21.363 -6.626 1.00 43.43 N ATOM 919 CA PHE A 61 -16.648 -22.094 -6.102 1.00 41.42 C ATOM 920 C PHE A 61 -16.286 -21.606 -4.702 1.00 45.15 C ATOM 921 O PHE A 61 -16.647 -20.498 -4.308 1.00 43.40 O ATOM 922 CB PHE A 61 -15.446 -21.936 -7.036 1.00 73.24 C ATOM 923 CG PHE A 61 -14.780 -20.594 -6.935 1.00 22.03 C ATOM 924 CD1 PHE A 61 -15.314 -19.490 -7.579 1.00 51.12 C ATOM 925 CD2 PHE A 61 -13.619 -20.436 -6.194 1.00 74.33 C ATOM 926 CE1 PHE A 61 -14.702 -18.254 -7.488 1.00 32.01 C ATOM 927 CE2 PHE A 61 -13.003 -19.203 -6.099 1.00 12.30 C ATOM 928 CZ PHE A 61 -13.546 -18.110 -6.746 1.00 11.11 C ATOM 0 H PHE A 61 -17.870 -20.401 -6.296 1.00 43.43 H new ATOM 0 HA PHE A 61 -16.917 -23.149 -6.042 1.00 41.42 H new ATOM 0 HB2 PHE A 61 -14.716 -22.713 -6.810 1.00 73.24 H new ATOM 0 HB3 PHE A 61 -15.772 -22.094 -8.064 1.00 73.24 H new ATOM 0 HD1 PHE A 61 -16.219 -19.596 -8.159 1.00 51.12 H new ATOM 0 HD2 PHE A 61 -13.191 -21.287 -5.685 1.00 74.33 H new ATOM 0 HE1 PHE A 61 -15.127 -17.402 -7.997 1.00 32.01 H new ATOM 0 HE2 PHE A 61 -12.098 -19.094 -5.520 1.00 12.30 H new ATOM 0 HZ PHE A 61 -13.068 -17.145 -6.672 1.00 11.11 H new ATOM 938 N GLN A 62 -15.570 -22.443 -3.958 1.00 13.44 N ATOM 939 CA GLN A 62 -15.160 -22.097 -2.602 1.00 32.54 C ATOM 940 C GLN A 62 -13.661 -22.306 -2.417 1.00 4.52 C ATOM 941 O GLN A 62 -13.134 -23.381 -2.700 1.00 1.01 O ATOM 942 CB GLN A 62 -15.933 -22.937 -1.583 1.00 61.41 C ATOM 943 CG GLN A 62 -17.030 -22.167 -0.867 1.00 33.12 C ATOM 944 CD GLN A 62 -16.524 -20.890 -0.226 1.00 50.10 C ATOM 945 OE1 GLN A 62 -17.150 -19.836 -0.337 1.00 14.53 O ATOM 946 NE2 GLN A 62 -15.384 -20.978 0.450 1.00 52.34 N ATOM 0 H GLN A 62 -15.262 -23.364 -4.271 1.00 13.44 H new ATOM 0 HA GLN A 62 -15.385 -21.043 -2.439 1.00 32.54 H new ATOM 0 HB2 GLN A 62 -16.375 -23.794 -2.091 1.00 61.41 H new ATOM 0 HB3 GLN A 62 -15.235 -23.330 -0.844 1.00 61.41 H new ATOM 0 HG2 GLN A 62 -17.821 -21.924 -1.577 1.00 33.12 H new ATOM 0 HG3 GLN A 62 -17.474 -22.802 -0.101 1.00 33.12 H new ATOM 0 HE21 GLN A 62 -14.898 -21.872 0.516 1.00 52.34 H new ATOM 0 HE22 GLN A 62 -14.994 -20.151 0.903 1.00 52.34 H new ATOM 955 N ALA A 63 -12.979 -21.269 -1.940 1.00 43.05 N ATOM 956 CA ALA A 63 -11.540 -21.339 -1.716 1.00 52.15 C ATOM 957 C ALA A 63 -11.227 -21.853 -0.315 1.00 71.14 C ATOM 958 O ALA A 63 -11.651 -21.267 0.681 1.00 12.11 O ATOM 959 CB ALA A 63 -10.905 -19.973 -1.934 1.00 32.33 C ATOM 0 H ALA A 63 -13.400 -20.371 -1.701 1.00 43.05 H new ATOM 0 HA ALA A 63 -11.119 -22.042 -2.435 1.00 52.15 H new ATOM 0 HB1 ALA A 63 -9.831 -20.040 -1.763 1.00 32.33 H new ATOM 0 HB2 ALA A 63 -11.090 -19.645 -2.957 1.00 32.33 H new ATOM 0 HB3 ALA A 63 -11.339 -19.255 -1.238 1.00 32.33 H new ATOM 965 N HIS A 64 -10.483 -22.952 -0.246 1.00 22.30 N ATOM 966 CA HIS A 64 -10.113 -23.546 1.034 1.00 11.42 C ATOM 967 C HIS A 64 -8.647 -23.271 1.357 1.00 15.12 C ATOM 968 O HIS A 64 -7.770 -23.461 0.515 1.00 42.01 O ATOM 969 CB HIS A 64 -10.369 -25.053 1.015 1.00 53.23 C ATOM 970 CG HIS A 64 -11.749 -25.420 0.561 1.00 23.13 C ATOM 971 ND1 HIS A 64 -12.158 -25.331 -0.753 1.00 2.15 N ATOM 972 CD2 HIS A 64 -12.815 -25.881 1.255 1.00 33.34 C ATOM 973 CE1 HIS A 64 -13.417 -25.720 -0.847 1.00 2.23 C ATOM 974 NE2 HIS A 64 -13.839 -26.059 0.358 1.00 72.42 N ATOM 0 H HIS A 64 -10.124 -23.449 -1.061 1.00 22.30 H new ATOM 0 HA HIS A 64 -10.730 -23.091 1.809 1.00 11.42 H new ATOM 0 HB2 HIS A 64 -9.641 -25.529 0.358 1.00 53.23 H new ATOM 0 HB3 HIS A 64 -10.206 -25.454 2.015 1.00 53.23 H new ATOM 0 HD2 HIS A 64 -12.853 -26.073 2.317 1.00 33.34 H new ATOM 0 HE1 HIS A 64 -14.002 -25.755 -1.754 1.00 2.23 H new ATOM 0 HE2 HIS A 64 -14.774 -26.398 0.585 1.00 72.42 H new ATOM 982 N TYR A 65 -8.391 -22.822 2.581 1.00 65.52 N ATOM 983 CA TYR A 65 -7.032 -22.519 3.014 1.00 42.52 C ATOM 984 C TYR A 65 -6.606 -23.437 4.155 1.00 4.43 C ATOM 985 O TYR A 65 -7.416 -23.807 5.004 1.00 34.34 O ATOM 986 CB TYR A 65 -6.929 -21.057 3.454 1.00 33.33 C ATOM 987 CG TYR A 65 -7.496 -20.799 4.832 1.00 22.12 C ATOM 988 CD1 TYR A 65 -8.861 -20.621 5.021 1.00 21.11 C ATOM 989 CD2 TYR A 65 -6.666 -20.732 5.945 1.00 74.03 C ATOM 990 CE1 TYR A 65 -9.383 -20.384 6.278 1.00 31.20 C ATOM 991 CE2 TYR A 65 -7.180 -20.497 7.205 1.00 21.14 C ATOM 992 CZ TYR A 65 -8.539 -20.324 7.367 1.00 43.41 C ATOM 993 OH TYR A 65 -9.054 -20.088 8.621 1.00 40.00 O ATOM 0 H TYR A 65 -9.106 -22.660 3.290 1.00 65.52 H new ATOM 0 HA TYR A 65 -6.363 -22.686 2.170 1.00 42.52 H new ATOM 0 HB2 TYR A 65 -5.882 -20.754 3.438 1.00 33.33 H new ATOM 0 HB3 TYR A 65 -7.453 -20.431 2.732 1.00 33.33 H new ATOM 0 HD1 TYR A 65 -9.525 -20.669 4.171 1.00 21.11 H new ATOM 0 HD2 TYR A 65 -5.601 -20.866 5.822 1.00 74.03 H new ATOM 0 HE1 TYR A 65 -10.446 -20.246 6.407 1.00 31.20 H new ATOM 0 HE2 TYR A 65 -6.521 -20.449 8.059 1.00 21.14 H new ATOM 0 HH TYR A 65 -8.326 -20.078 9.277 1.00 40.00 H new ATOM 1003 N ARG A 66 -5.327 -23.799 4.169 1.00 50.14 N ATOM 1004 CA ARG A 66 -4.792 -24.674 5.205 1.00 45.24 C ATOM 1005 C ARG A 66 -4.610 -23.916 6.516 1.00 15.33 C ATOM 1006 O ARG A 66 -4.210 -22.752 6.522 1.00 60.10 O ATOM 1007 CB ARG A 66 -3.455 -25.269 4.758 1.00 22.15 C ATOM 1008 CG ARG A 66 -2.388 -24.225 4.474 1.00 4.32 C ATOM 1009 CD ARG A 66 -1.066 -24.585 5.134 1.00 1.24 C ATOM 1010 NE ARG A 66 -0.152 -23.447 5.187 1.00 14.43 N ATOM 1011 CZ ARG A 66 -0.220 -22.492 6.109 1.00 72.14 C ATOM 1012 NH1 ARG A 66 -1.153 -22.539 7.049 1.00 34.13 N ATOM 1013 NH2 ARG A 66 0.647 -21.488 6.091 1.00 62.14 N ATOM 0 H ARG A 66 -4.642 -23.500 3.475 1.00 50.14 H new ATOM 0 HA ARG A 66 -5.506 -25.481 5.368 1.00 45.24 H new ATOM 0 HB2 ARG A 66 -3.092 -25.946 5.531 1.00 22.15 H new ATOM 0 HB3 ARG A 66 -3.615 -25.866 3.860 1.00 22.15 H new ATOM 0 HG2 ARG A 66 -2.245 -24.133 3.397 1.00 4.32 H new ATOM 0 HG3 ARG A 66 -2.723 -23.253 4.835 1.00 4.32 H new ATOM 0 HD2 ARG A 66 -1.253 -24.947 6.145 1.00 1.24 H new ATOM 0 HD3 ARG A 66 -0.597 -25.401 4.584 1.00 1.24 H new ATOM 0 HE ARG A 66 0.578 -23.382 4.478 1.00 14.43 H new ATOM 0 HH11 ARG A 66 -1.821 -23.309 7.066 1.00 34.13 H new ATOM 0 HH12 ARG A 66 -1.203 -21.805 7.755 1.00 34.13 H new ATOM 0 HH21 ARG A 66 1.367 -21.448 5.369 1.00 62.14 H new ATOM 0 HH22 ARG A 66 0.594 -20.756 6.799 1.00 62.14 H new ATOM 1027 N ALA A 67 -4.909 -24.584 7.626 1.00 41.41 N ATOM 1028 CA ALA A 67 -4.778 -23.974 8.943 1.00 2.33 C ATOM 1029 C ALA A 67 -3.553 -24.509 9.677 1.00 62.33 C ATOM 1030 O ALA A 67 -2.766 -25.271 9.115 1.00 34.21 O ATOM 1031 CB ALA A 67 -6.035 -24.217 9.765 1.00 52.52 C ATOM 0 H ALA A 67 -5.243 -25.548 7.639 1.00 41.41 H new ATOM 0 HA ALA A 67 -4.648 -22.900 8.807 1.00 2.33 H new ATOM 0 HB1 ALA A 67 -5.923 -23.756 10.746 1.00 52.52 H new ATOM 0 HB2 ALA A 67 -6.893 -23.780 9.255 1.00 52.52 H new ATOM 0 HB3 ALA A 67 -6.190 -25.289 9.884 1.00 52.52 H new ATOM 1037 N GLU A 68 -3.397 -24.105 10.934 1.00 74.05 N ATOM 1038 CA GLU A 68 -2.266 -24.544 11.742 1.00 33.22 C ATOM 1039 C GLU A 68 -2.169 -26.067 11.761 1.00 54.02 C ATOM 1040 O GLU A 68 -1.080 -26.629 11.878 1.00 13.25 O ATOM 1041 CB GLU A 68 -2.396 -24.013 13.171 1.00 22.03 C ATOM 1042 CG GLU A 68 -3.707 -24.386 13.843 1.00 41.33 C ATOM 1043 CD GLU A 68 -3.976 -23.568 15.091 1.00 21.54 C ATOM 1044 OE1 GLU A 68 -4.176 -22.342 14.967 1.00 74.41 O ATOM 1045 OE2 GLU A 68 -3.986 -24.156 16.193 1.00 31.14 O ATOM 0 H GLU A 68 -4.039 -23.475 11.414 1.00 74.05 H new ATOM 0 HA GLU A 68 -1.356 -24.145 11.294 1.00 33.22 H new ATOM 0 HB2 GLU A 68 -1.569 -24.397 13.769 1.00 22.03 H new ATOM 0 HB3 GLU A 68 -2.301 -22.927 13.156 1.00 22.03 H new ATOM 0 HG2 GLU A 68 -4.526 -24.245 13.137 1.00 41.33 H new ATOM 0 HG3 GLU A 68 -3.689 -25.444 14.104 1.00 41.33 H new ATOM 1052 N ARG A 69 -3.316 -26.728 11.644 1.00 32.43 N ATOM 1053 CA ARG A 69 -3.362 -28.186 11.649 1.00 3.45 C ATOM 1054 C ARG A 69 -3.122 -28.742 10.249 1.00 3.00 C ATOM 1055 O ARG A 69 -2.664 -29.873 10.089 1.00 12.22 O ATOM 1056 CB ARG A 69 -4.712 -28.673 12.179 1.00 25.11 C ATOM 1057 CG ARG A 69 -5.018 -28.202 13.591 1.00 24.35 C ATOM 1058 CD ARG A 69 -6.234 -28.912 14.164 1.00 74.40 C ATOM 1059 NE ARG A 69 -5.923 -30.273 14.592 1.00 23.35 N ATOM 1060 CZ ARG A 69 -6.830 -31.121 15.066 1.00 43.35 C ATOM 1061 NH1 ARG A 69 -8.098 -30.749 15.170 1.00 71.33 N ATOM 1062 NH2 ARG A 69 -6.468 -32.343 15.435 1.00 15.10 N ATOM 0 H ARG A 69 -4.226 -26.278 11.545 1.00 32.43 H new ATOM 0 HA ARG A 69 -2.570 -28.548 12.305 1.00 3.45 H new ATOM 0 HB2 ARG A 69 -5.501 -28.328 11.511 1.00 25.11 H new ATOM 0 HB3 ARG A 69 -4.730 -29.763 12.157 1.00 25.11 H new ATOM 0 HG2 ARG A 69 -4.155 -28.383 14.231 1.00 24.35 H new ATOM 0 HG3 ARG A 69 -5.192 -27.126 13.587 1.00 24.35 H new ATOM 0 HD2 ARG A 69 -6.619 -28.345 15.011 1.00 74.40 H new ATOM 0 HD3 ARG A 69 -7.024 -28.940 13.414 1.00 74.40 H new ATOM 0 HE ARG A 69 -4.956 -30.590 14.523 1.00 23.35 H new ATOM 0 HH11 ARG A 69 -8.379 -29.811 14.886 1.00 71.33 H new ATOM 0 HH12 ARG A 69 -8.793 -31.401 15.534 1.00 71.33 H new ATOM 0 HH21 ARG A 69 -5.493 -32.632 15.355 1.00 15.10 H new ATOM 0 HH22 ARG A 69 -7.165 -32.993 15.799 1.00 15.10 H new ATOM 1076 N GLY A 70 -3.435 -27.939 9.237 1.00 44.42 N ATOM 1077 CA GLY A 70 -3.247 -28.368 7.863 1.00 21.24 C ATOM 1078 C GLY A 70 -4.560 -28.618 7.149 1.00 34.55 C ATOM 1079 O GLY A 70 -4.631 -28.546 5.922 1.00 34.55 O ATOM 0 H GLY A 70 -3.816 -26.999 9.344 1.00 44.42 H new ATOM 0 HA2 GLY A 70 -2.682 -27.609 7.323 1.00 21.24 H new ATOM 0 HA3 GLY A 70 -2.650 -29.280 7.849 1.00 21.24 H new ATOM 1083 N ASP A 71 -5.602 -28.915 7.918 1.00 15.12 N ATOM 1084 CA ASP A 71 -6.920 -29.178 7.352 1.00 53.33 C ATOM 1085 C ASP A 71 -7.366 -28.027 6.455 1.00 45.13 C ATOM 1086 O ASP A 71 -6.843 -26.915 6.547 1.00 65.51 O ATOM 1087 CB ASP A 71 -7.944 -29.397 8.467 1.00 41.21 C ATOM 1088 CG ASP A 71 -7.698 -30.681 9.235 1.00 44.33 C ATOM 1089 OD1 ASP A 71 -6.522 -31.087 9.350 1.00 32.21 O ATOM 1090 OD2 ASP A 71 -8.680 -31.278 9.721 1.00 70.40 O ATOM 0 H ASP A 71 -5.559 -28.980 8.935 1.00 15.12 H new ATOM 0 HA ASP A 71 -6.854 -30.082 6.747 1.00 53.33 H new ATOM 0 HB2 ASP A 71 -7.912 -28.553 9.156 1.00 41.21 H new ATOM 0 HB3 ASP A 71 -8.945 -29.420 8.037 1.00 41.21 H new ATOM 1095 N LEU A 72 -8.333 -28.301 5.587 1.00 51.44 N ATOM 1096 CA LEU A 72 -8.849 -27.288 4.671 1.00 24.32 C ATOM 1097 C LEU A 72 -10.040 -26.558 5.282 1.00 34.20 C ATOM 1098 O LEU A 72 -10.946 -27.181 5.836 1.00 74.34 O ATOM 1099 CB LEU A 72 -9.256 -27.932 3.345 1.00 45.04 C ATOM 1100 CG LEU A 72 -8.163 -28.021 2.278 1.00 1.55 C ATOM 1101 CD1 LEU A 72 -8.685 -28.726 1.037 1.00 61.15 C ATOM 1102 CD2 LEU A 72 -7.646 -26.633 1.928 1.00 0.21 C ATOM 0 H LEU A 72 -8.776 -29.215 5.497 1.00 51.44 H new ATOM 0 HA LEU A 72 -8.057 -26.562 4.487 1.00 24.32 H new ATOM 0 HB2 LEU A 72 -9.619 -28.939 3.550 1.00 45.04 H new ATOM 0 HB3 LEU A 72 -10.093 -27.369 2.933 1.00 45.04 H new ATOM 0 HG LEU A 72 -7.335 -28.605 2.681 1.00 1.55 H new ATOM 0 HD11 LEU A 72 -7.894 -28.780 0.289 1.00 61.15 H new ATOM 0 HD12 LEU A 72 -9.006 -29.734 1.299 1.00 61.15 H new ATOM 0 HD13 LEU A 72 -9.530 -28.170 0.631 1.00 61.15 H new ATOM 0 HD21 LEU A 72 -6.869 -26.715 1.168 1.00 0.21 H new ATOM 0 HD22 LEU A 72 -8.466 -26.025 1.545 1.00 0.21 H new ATOM 0 HD23 LEU A 72 -7.232 -26.163 2.820 1.00 0.21 H new ATOM 1114 N VAL A 73 -10.034 -25.233 5.176 1.00 71.24 N ATOM 1115 CA VAL A 73 -11.116 -24.418 5.714 1.00 10.23 C ATOM 1116 C VAL A 73 -11.653 -23.453 4.663 1.00 3.31 C ATOM 1117 O VAL A 73 -11.052 -22.412 4.397 1.00 14.13 O ATOM 1118 CB VAL A 73 -10.654 -23.614 6.945 1.00 74.53 C ATOM 1119 CG1 VAL A 73 -11.815 -22.831 7.537 1.00 15.33 C ATOM 1120 CG2 VAL A 73 -10.039 -24.539 7.984 1.00 31.40 C ATOM 0 H VAL A 73 -9.291 -24.701 4.722 1.00 71.24 H new ATOM 0 HA VAL A 73 -11.910 -25.103 6.013 1.00 10.23 H new ATOM 0 HB VAL A 73 -9.891 -22.903 6.628 1.00 74.53 H new ATOM 0 HG11 VAL A 73 -11.470 -22.269 8.405 1.00 15.33 H new ATOM 0 HG12 VAL A 73 -12.206 -22.140 6.790 1.00 15.33 H new ATOM 0 HG13 VAL A 73 -12.602 -23.521 7.841 1.00 15.33 H new ATOM 0 HG21 VAL A 73 -9.718 -23.955 8.847 1.00 31.40 H new ATOM 0 HG22 VAL A 73 -10.779 -25.275 8.299 1.00 31.40 H new ATOM 0 HG23 VAL A 73 -9.179 -25.051 7.552 1.00 31.40 H new ATOM 1130 N ALA A 74 -12.788 -23.806 4.068 1.00 4.44 N ATOM 1131 CA ALA A 74 -13.407 -22.970 3.048 1.00 52.43 C ATOM 1132 C ALA A 74 -13.703 -21.574 3.587 1.00 74.15 C ATOM 1133 O ALA A 74 -14.639 -21.384 4.364 1.00 2.31 O ATOM 1134 CB ALA A 74 -14.683 -23.621 2.535 1.00 62.24 C ATOM 0 H ALA A 74 -13.297 -24.665 4.275 1.00 4.44 H new ATOM 0 HA ALA A 74 -12.705 -22.870 2.220 1.00 52.43 H new ATOM 0 HB1 ALA A 74 -15.135 -22.985 1.773 1.00 62.24 H new ATOM 0 HB2 ALA A 74 -14.447 -24.593 2.103 1.00 62.24 H new ATOM 0 HB3 ALA A 74 -15.382 -23.751 3.361 1.00 62.24 H new ATOM 1140 N PHE A 75 -12.901 -20.601 3.169 1.00 5.01 N ATOM 1141 CA PHE A 75 -13.076 -19.223 3.611 1.00 1.45 C ATOM 1142 C PHE A 75 -13.918 -18.434 2.613 1.00 15.02 C ATOM 1143 O PHE A 75 -13.929 -18.735 1.420 1.00 55.14 O ATOM 1144 CB PHE A 75 -11.716 -18.546 3.794 1.00 24.23 C ATOM 1145 CG PHE A 75 -11.049 -18.180 2.499 1.00 71.50 C ATOM 1146 CD1 PHE A 75 -11.292 -16.954 1.902 1.00 63.01 C ATOM 1147 CD2 PHE A 75 -10.180 -19.063 1.878 1.00 33.52 C ATOM 1148 CE1 PHE A 75 -10.680 -16.614 0.710 1.00 23.10 C ATOM 1149 CE2 PHE A 75 -9.565 -18.729 0.687 1.00 51.13 C ATOM 1150 CZ PHE A 75 -9.816 -17.503 0.101 1.00 31.32 C ATOM 0 H PHE A 75 -12.123 -20.741 2.524 1.00 5.01 H new ATOM 0 HA PHE A 75 -13.598 -19.239 4.568 1.00 1.45 H new ATOM 0 HB2 PHE A 75 -11.845 -17.645 4.394 1.00 24.23 H new ATOM 0 HB3 PHE A 75 -11.060 -19.212 4.356 1.00 24.23 H new ATOM 0 HD1 PHE A 75 -11.968 -16.255 2.373 1.00 63.01 H new ATOM 0 HD2 PHE A 75 -9.981 -20.023 2.330 1.00 33.52 H new ATOM 0 HE1 PHE A 75 -10.877 -15.654 0.255 1.00 23.10 H new ATOM 0 HE2 PHE A 75 -8.889 -19.426 0.214 1.00 51.13 H new ATOM 0 HZ PHE A 75 -9.338 -17.241 -0.831 1.00 31.32 H new ATOM 1160 N SER A 76 -14.624 -17.423 3.111 1.00 22.43 N ATOM 1161 CA SER A 76 -15.473 -16.594 2.265 1.00 52.31 C ATOM 1162 C SER A 76 -15.798 -15.271 2.952 1.00 15.02 C ATOM 1163 O SER A 76 -16.864 -14.693 2.739 1.00 73.44 O ATOM 1164 CB SER A 76 -16.767 -17.335 1.922 1.00 41.22 C ATOM 1165 OG SER A 76 -17.235 -18.083 3.030 1.00 34.02 O ATOM 0 H SER A 76 -14.624 -17.159 4.096 1.00 22.43 H new ATOM 0 HA SER A 76 -14.930 -16.382 1.344 1.00 52.31 H new ATOM 0 HB2 SER A 76 -17.529 -16.619 1.615 1.00 41.22 H new ATOM 0 HB3 SER A 76 -16.595 -18.001 1.076 1.00 41.22 H new ATOM 0 HG SER A 76 -18.064 -18.546 2.786 1.00 34.02 H new ATOM 1171 N SER A 77 -14.872 -14.797 3.779 1.00 65.23 N ATOM 1172 CA SER A 77 -15.060 -13.545 4.501 1.00 1.43 C ATOM 1173 C SER A 77 -13.723 -12.850 4.741 1.00 11.43 C ATOM 1174 O SER A 77 -12.715 -13.499 5.020 1.00 2.44 O ATOM 1175 CB SER A 77 -15.761 -13.802 5.837 1.00 62.04 C ATOM 1176 OG SER A 77 -16.828 -14.722 5.683 1.00 1.25 O ATOM 0 H SER A 77 -13.983 -15.262 3.966 1.00 65.23 H new ATOM 0 HA SER A 77 -15.685 -12.893 3.891 1.00 1.43 H new ATOM 0 HB2 SER A 77 -15.043 -14.190 6.559 1.00 62.04 H new ATOM 0 HB3 SER A 77 -16.141 -12.863 6.239 1.00 62.04 H new ATOM 0 HG SER A 77 -17.259 -14.871 6.550 1.00 1.25 H new ATOM 1182 N ASP A 78 -13.724 -11.526 4.630 1.00 4.24 N ATOM 1183 CA ASP A 78 -12.512 -10.741 4.836 1.00 0.10 C ATOM 1184 C ASP A 78 -11.855 -11.093 6.167 1.00 35.41 C ATOM 1185 O ASP A 78 -10.639 -11.260 6.244 1.00 22.15 O ATOM 1186 CB ASP A 78 -12.833 -9.246 4.792 1.00 74.22 C ATOM 1187 CG ASP A 78 -13.818 -8.833 5.869 1.00 65.54 C ATOM 1188 OD1 ASP A 78 -15.034 -9.029 5.666 1.00 10.14 O ATOM 1189 OD2 ASP A 78 -13.371 -8.314 6.913 1.00 32.33 O ATOM 0 H ASP A 78 -14.550 -10.974 4.399 1.00 4.24 H new ATOM 0 HA ASP A 78 -11.815 -10.979 4.033 1.00 0.10 H new ATOM 0 HB2 ASP A 78 -11.911 -8.676 4.909 1.00 74.22 H new ATOM 0 HB3 ASP A 78 -13.242 -8.994 3.814 1.00 74.22 H new ATOM 1194 N GLU A 79 -12.670 -11.204 7.212 1.00 21.10 N ATOM 1195 CA GLU A 79 -12.167 -11.535 8.540 1.00 2.21 C ATOM 1196 C GLU A 79 -11.367 -12.834 8.511 1.00 71.10 C ATOM 1197 O GLU A 79 -10.469 -13.040 9.327 1.00 51.04 O ATOM 1198 CB GLU A 79 -13.325 -11.658 9.532 1.00 31.14 C ATOM 1199 CG GLU A 79 -14.252 -12.827 9.243 1.00 12.35 C ATOM 1200 CD GLU A 79 -13.763 -14.125 9.856 1.00 41.21 C ATOM 1201 OE1 GLU A 79 -13.321 -14.101 11.023 1.00 24.13 O ATOM 1202 OE2 GLU A 79 -13.823 -15.165 9.167 1.00 41.32 O ATOM 0 H GLU A 79 -13.680 -11.070 7.164 1.00 21.10 H new ATOM 0 HA GLU A 79 -11.507 -10.730 8.862 1.00 2.21 H new ATOM 0 HB2 GLU A 79 -12.920 -11.766 10.538 1.00 31.14 H new ATOM 0 HB3 GLU A 79 -13.904 -10.734 9.519 1.00 31.14 H new ATOM 0 HG2 GLU A 79 -15.247 -12.600 9.627 1.00 12.35 H new ATOM 0 HG3 GLU A 79 -14.347 -12.952 8.164 1.00 12.35 H new ATOM 1209 N GLU A 80 -11.701 -13.707 7.566 1.00 54.14 N ATOM 1210 CA GLU A 80 -11.015 -14.987 7.431 1.00 15.43 C ATOM 1211 C GLU A 80 -9.693 -14.820 6.688 1.00 11.22 C ATOM 1212 O GLU A 80 -8.733 -15.551 6.935 1.00 43.52 O ATOM 1213 CB GLU A 80 -11.904 -15.992 6.695 1.00 44.31 C ATOM 1214 CG GLU A 80 -11.607 -17.439 7.049 1.00 71.45 C ATOM 1215 CD GLU A 80 -12.816 -18.340 6.882 1.00 1.24 C ATOM 1216 OE1 GLU A 80 -13.952 -17.837 7.011 1.00 43.41 O ATOM 1217 OE2 GLU A 80 -12.626 -19.547 6.624 1.00 14.34 O ATOM 0 H GLU A 80 -12.442 -13.551 6.883 1.00 54.14 H new ATOM 0 HA GLU A 80 -10.804 -15.365 8.431 1.00 15.43 H new ATOM 0 HB2 GLU A 80 -12.948 -15.777 6.924 1.00 44.31 H new ATOM 0 HB3 GLU A 80 -11.779 -15.856 5.621 1.00 44.31 H new ATOM 0 HG2 GLU A 80 -10.796 -17.804 6.419 1.00 71.45 H new ATOM 0 HG3 GLU A 80 -11.258 -17.493 8.080 1.00 71.45 H new ATOM 1224 N LEU A 81 -9.651 -13.854 5.777 1.00 12.12 N ATOM 1225 CA LEU A 81 -8.447 -13.590 4.997 1.00 73.14 C ATOM 1226 C LEU A 81 -7.333 -13.043 5.883 1.00 63.22 C ATOM 1227 O LEU A 81 -6.211 -13.552 5.874 1.00 51.50 O ATOM 1228 CB LEU A 81 -8.752 -12.600 3.871 1.00 11.34 C ATOM 1229 CG LEU A 81 -9.349 -13.196 2.596 1.00 13.32 C ATOM 1230 CD1 LEU A 81 -8.421 -14.251 2.015 1.00 74.02 C ATOM 1231 CD2 LEU A 81 -10.723 -13.787 2.876 1.00 12.14 C ATOM 0 H LEU A 81 -10.437 -13.241 5.560 1.00 12.12 H new ATOM 0 HA LEU A 81 -8.111 -14.532 4.563 1.00 73.14 H new ATOM 0 HB2 LEU A 81 -9.441 -11.847 4.253 1.00 11.34 H new ATOM 0 HB3 LEU A 81 -7.829 -12.083 3.609 1.00 11.34 H new ATOM 0 HG LEU A 81 -9.462 -12.397 1.863 1.00 13.32 H new ATOM 0 HD11 LEU A 81 -8.862 -14.664 1.108 1.00 74.02 H new ATOM 0 HD12 LEU A 81 -7.459 -13.798 1.776 1.00 74.02 H new ATOM 0 HD13 LEU A 81 -8.276 -15.049 2.744 1.00 74.02 H new ATOM 0 HD21 LEU A 81 -11.133 -14.207 1.957 1.00 12.14 H new ATOM 0 HD22 LEU A 81 -10.635 -14.573 3.626 1.00 12.14 H new ATOM 0 HD23 LEU A 81 -11.387 -13.005 3.245 1.00 12.14 H new ATOM 1243 N THR A 82 -7.649 -12.004 6.650 1.00 72.42 N ATOM 1244 CA THR A 82 -6.676 -11.389 7.543 1.00 43.02 C ATOM 1245 C THR A 82 -6.012 -12.432 8.435 1.00 45.43 C ATOM 1246 O THR A 82 -4.868 -12.263 8.858 1.00 53.44 O ATOM 1247 CB THR A 82 -7.329 -10.312 8.430 1.00 61.32 C ATOM 1248 OG1 THR A 82 -6.322 -9.463 8.992 1.00 61.25 O ATOM 1249 CG2 THR A 82 -8.142 -10.951 9.546 1.00 5.21 C ATOM 0 H THR A 82 -8.572 -11.571 6.670 1.00 72.42 H new ATOM 0 HA THR A 82 -5.921 -10.920 6.912 1.00 43.02 H new ATOM 0 HB THR A 82 -7.999 -9.717 7.808 1.00 61.32 H new ATOM 0 HG1 THR A 82 -6.746 -8.780 9.553 1.00 61.25 H new ATOM 0 HG21 THR A 82 -8.594 -10.171 10.159 1.00 5.21 H new ATOM 0 HG22 THR A 82 -8.926 -11.573 9.115 1.00 5.21 H new ATOM 0 HG23 THR A 82 -7.489 -11.567 10.165 1.00 5.21 H new ATOM 1257 N MET A 83 -6.735 -13.510 8.716 1.00 34.13 N ATOM 1258 CA MET A 83 -6.214 -14.582 9.557 1.00 12.41 C ATOM 1259 C MET A 83 -5.351 -15.540 8.743 1.00 30.32 C ATOM 1260 O MET A 83 -4.307 -15.998 9.208 1.00 15.41 O ATOM 1261 CB MET A 83 -7.364 -15.346 10.217 1.00 65.24 C ATOM 1262 CG MET A 83 -7.025 -15.878 11.600 1.00 60.12 C ATOM 1263 SD MET A 83 -7.667 -14.834 12.922 1.00 41.41 S ATOM 1264 CE MET A 83 -6.567 -13.425 12.804 1.00 15.53 C ATOM 0 H MET A 83 -7.683 -13.665 8.374 1.00 34.13 H new ATOM 0 HA MET A 83 -5.594 -14.133 10.333 1.00 12.41 H new ATOM 0 HB2 MET A 83 -8.230 -14.689 10.292 1.00 65.24 H new ATOM 0 HB3 MET A 83 -7.651 -16.180 9.576 1.00 65.24 H new ATOM 0 HG2 MET A 83 -7.430 -16.884 11.707 1.00 60.12 H new ATOM 0 HG3 MET A 83 -5.942 -15.958 11.699 1.00 60.12 H new ATOM 0 HE1 MET A 83 -6.718 -12.772 13.664 1.00 15.53 H new ATOM 0 HE2 MET A 83 -5.533 -13.771 12.788 1.00 15.53 H new ATOM 0 HE3 MET A 83 -6.779 -12.873 11.888 1.00 15.53 H new ATOM 1274 N ALA A 84 -5.794 -15.841 7.527 1.00 42.54 N ATOM 1275 CA ALA A 84 -5.061 -16.743 6.648 1.00 24.40 C ATOM 1276 C ALA A 84 -3.645 -16.236 6.397 1.00 42.41 C ATOM 1277 O ALA A 84 -2.690 -17.012 6.384 1.00 32.13 O ATOM 1278 CB ALA A 84 -5.803 -16.917 5.331 1.00 4.51 C ATOM 0 H ALA A 84 -6.658 -15.473 7.128 1.00 42.54 H new ATOM 0 HA ALA A 84 -4.989 -17.712 7.142 1.00 24.40 H new ATOM 0 HB1 ALA A 84 -5.243 -17.593 4.685 1.00 4.51 H new ATOM 0 HB2 ALA A 84 -6.792 -17.333 5.523 1.00 4.51 H new ATOM 0 HB3 ALA A 84 -5.906 -15.949 4.841 1.00 4.51 H new ATOM 1284 N MET A 85 -3.517 -14.928 6.197 1.00 61.02 N ATOM 1285 CA MET A 85 -2.217 -14.317 5.946 1.00 24.24 C ATOM 1286 C MET A 85 -1.342 -14.369 7.195 1.00 11.01 C ATOM 1287 O MET A 85 -0.116 -14.299 7.109 1.00 31.30 O ATOM 1288 CB MET A 85 -2.390 -12.867 5.491 1.00 63.15 C ATOM 1289 CG MET A 85 -3.324 -12.711 4.301 1.00 24.33 C ATOM 1290 SD MET A 85 -3.049 -11.174 3.399 1.00 32.34 S ATOM 1291 CE MET A 85 -2.917 -11.786 1.721 1.00 3.41 C ATOM 0 H MET A 85 -4.297 -14.271 6.204 1.00 61.02 H new ATOM 0 HA MET A 85 -1.725 -14.882 5.155 1.00 24.24 H new ATOM 0 HB2 MET A 85 -2.773 -12.277 6.323 1.00 63.15 H new ATOM 0 HB3 MET A 85 -1.414 -12.457 5.233 1.00 63.15 H new ATOM 0 HG2 MET A 85 -3.188 -13.554 3.624 1.00 24.33 H new ATOM 0 HG3 MET A 85 -4.357 -12.744 4.648 1.00 24.33 H new ATOM 0 HE1 MET A 85 -2.745 -10.951 1.042 1.00 3.41 H new ATOM 0 HE2 MET A 85 -2.084 -12.486 1.653 1.00 3.41 H new ATOM 0 HE3 MET A 85 -3.841 -12.294 1.445 1.00 3.41 H new ATOM 1301 N SER A 86 -1.980 -14.491 8.355 1.00 74.24 N ATOM 1302 CA SER A 86 -1.260 -14.548 9.621 1.00 33.13 C ATOM 1303 C SER A 86 -0.418 -15.817 9.711 1.00 70.11 C ATOM 1304 O SER A 86 0.573 -15.868 10.440 1.00 51.31 O ATOM 1305 CB SER A 86 -2.242 -14.490 10.793 1.00 21.13 C ATOM 1306 OG SER A 86 -1.598 -14.052 11.977 1.00 64.00 O ATOM 0 H SER A 86 -2.994 -14.552 8.444 1.00 74.24 H new ATOM 0 HA SER A 86 -0.594 -13.687 9.671 1.00 33.13 H new ATOM 0 HB2 SER A 86 -3.063 -13.815 10.551 1.00 21.13 H new ATOM 0 HB3 SER A 86 -2.678 -15.476 10.956 1.00 21.13 H new ATOM 0 HG SER A 86 -2.247 -14.022 12.711 1.00 64.00 H new ATOM 1312 N TYR A 87 -0.820 -16.840 8.965 1.00 43.25 N ATOM 1313 CA TYR A 87 -0.105 -18.110 8.961 1.00 65.45 C ATOM 1314 C TYR A 87 1.177 -18.012 8.138 1.00 13.22 C ATOM 1315 O TYR A 87 2.263 -18.338 8.618 1.00 72.05 O ATOM 1316 CB TYR A 87 -0.997 -19.220 8.403 1.00 33.42 C ATOM 1317 CG TYR A 87 -2.216 -19.502 9.253 1.00 2.42 C ATOM 1318 CD1 TYR A 87 -3.376 -18.751 9.109 1.00 31.22 C ATOM 1319 CD2 TYR A 87 -2.207 -20.519 10.200 1.00 42.31 C ATOM 1320 CE1 TYR A 87 -4.491 -19.004 9.884 1.00 32.23 C ATOM 1321 CE2 TYR A 87 -3.318 -20.780 10.978 1.00 2.13 C ATOM 1322 CZ TYR A 87 -4.457 -20.020 10.817 1.00 13.42 C ATOM 1323 OH TYR A 87 -5.567 -20.276 11.590 1.00 5.32 O ATOM 0 H TYR A 87 -1.637 -16.814 8.355 1.00 43.25 H new ATOM 0 HA TYR A 87 0.162 -18.350 9.990 1.00 65.45 H new ATOM 0 HB2 TYR A 87 -1.320 -18.945 7.399 1.00 33.42 H new ATOM 0 HB3 TYR A 87 -0.410 -20.134 8.310 1.00 33.42 H new ATOM 0 HD1 TYR A 87 -3.406 -17.956 8.379 1.00 31.22 H new ATOM 0 HD2 TYR A 87 -1.316 -21.115 10.330 1.00 42.31 H new ATOM 0 HE1 TYR A 87 -5.384 -18.410 9.760 1.00 32.23 H new ATOM 0 HE2 TYR A 87 -3.295 -21.575 11.709 1.00 2.13 H new ATOM 0 HH TYR A 87 -5.379 -21.023 12.196 1.00 5.32 H new ATOM 1333 N VAL A 88 1.041 -17.559 6.896 1.00 44.41 N ATOM 1334 CA VAL A 88 2.187 -17.414 6.006 1.00 60.53 C ATOM 1335 C VAL A 88 3.069 -16.246 6.430 1.00 2.21 C ATOM 1336 O VAL A 88 2.591 -15.126 6.611 1.00 12.23 O ATOM 1337 CB VAL A 88 1.741 -17.203 4.547 1.00 70.44 C ATOM 1338 CG1 VAL A 88 0.874 -15.959 4.428 1.00 62.12 C ATOM 1339 CG2 VAL A 88 2.950 -17.111 3.628 1.00 3.54 C ATOM 0 H VAL A 88 0.149 -17.286 6.483 1.00 44.41 H new ATOM 0 HA VAL A 88 2.759 -18.340 6.074 1.00 60.53 H new ATOM 0 HB VAL A 88 1.145 -18.062 4.240 1.00 70.44 H new ATOM 0 HG11 VAL A 88 0.569 -15.826 3.390 1.00 62.12 H new ATOM 0 HG12 VAL A 88 -0.010 -16.071 5.055 1.00 62.12 H new ATOM 0 HG13 VAL A 88 1.442 -15.087 4.753 1.00 62.12 H new ATOM 0 HG21 VAL A 88 2.616 -16.962 2.601 1.00 3.54 H new ATOM 0 HG22 VAL A 88 3.575 -16.271 3.932 1.00 3.54 H new ATOM 0 HG23 VAL A 88 3.526 -18.034 3.692 1.00 3.54 H new ATOM 1349 N LYS A 89 4.361 -16.513 6.587 1.00 62.31 N ATOM 1350 CA LYS A 89 5.313 -15.484 6.988 1.00 31.34 C ATOM 1351 C LYS A 89 5.883 -14.765 5.770 1.00 54.11 C ATOM 1352 O LYS A 89 6.275 -13.601 5.852 1.00 50.22 O ATOM 1353 CB LYS A 89 6.449 -16.103 7.806 1.00 1.52 C ATOM 1354 CG LYS A 89 7.124 -15.121 8.749 1.00 34.21 C ATOM 1355 CD LYS A 89 6.439 -15.090 10.105 1.00 33.11 C ATOM 1356 CE LYS A 89 7.359 -14.537 11.182 1.00 24.01 C ATOM 1357 NZ LYS A 89 8.555 -15.401 11.387 1.00 50.10 N ATOM 0 H LYS A 89 4.773 -17.435 6.442 1.00 62.31 H new ATOM 0 HA LYS A 89 4.785 -14.756 7.603 1.00 31.34 H new ATOM 0 HB2 LYS A 89 6.055 -16.938 8.385 1.00 1.52 H new ATOM 0 HB3 LYS A 89 7.195 -16.511 7.125 1.00 1.52 H new ATOM 0 HG2 LYS A 89 8.171 -15.397 8.875 1.00 34.21 H new ATOM 0 HG3 LYS A 89 7.108 -14.124 8.309 1.00 34.21 H new ATOM 0 HD2 LYS A 89 5.539 -14.478 10.045 1.00 33.11 H new ATOM 0 HD3 LYS A 89 6.123 -16.097 10.377 1.00 33.11 H new ATOM 0 HE2 LYS A 89 7.680 -13.533 10.905 1.00 24.01 H new ATOM 0 HE3 LYS A 89 6.809 -14.449 12.119 1.00 24.01 H new ATOM 0 HZ1 LYS A 89 8.592 -15.713 12.378 1.00 50.10 H new ATOM 0 HZ2 LYS A 89 8.494 -16.232 10.765 1.00 50.10 H new ATOM 0 HZ3 LYS A 89 9.415 -14.862 11.161 1.00 50.10 H new ATOM 1371 N ASP A 90 5.924 -15.464 4.641 1.00 34.33 N ATOM 1372 CA ASP A 90 6.443 -14.891 3.405 1.00 71.20 C ATOM 1373 C ASP A 90 5.391 -14.019 2.726 1.00 31.43 C ATOM 1374 O ASP A 90 4.332 -13.751 3.295 1.00 44.23 O ATOM 1375 CB ASP A 90 6.895 -16.000 2.454 1.00 73.41 C ATOM 1376 CG ASP A 90 7.732 -17.055 3.150 1.00 4.34 C ATOM 1377 OD1 ASP A 90 8.966 -16.875 3.232 1.00 52.24 O ATOM 1378 OD2 ASP A 90 7.155 -18.059 3.615 1.00 34.31 O ATOM 0 H ASP A 90 5.604 -16.429 4.556 1.00 34.33 H new ATOM 0 HA ASP A 90 7.300 -14.266 3.655 1.00 71.20 H new ATOM 0 HB2 ASP A 90 6.019 -16.471 2.008 1.00 73.41 H new ATOM 0 HB3 ASP A 90 7.471 -15.563 1.639 1.00 73.41 H new ATOM 1383 N ASP A 91 5.690 -13.580 1.509 1.00 42.10 N ATOM 1384 CA ASP A 91 4.770 -12.738 0.752 1.00 25.15 C ATOM 1385 C ASP A 91 3.991 -13.564 -0.266 1.00 41.24 C ATOM 1386 O ASP A 91 3.533 -13.042 -1.283 1.00 42.51 O ATOM 1387 CB ASP A 91 5.535 -11.620 0.043 1.00 3.41 C ATOM 1388 CG ASP A 91 6.785 -12.123 -0.652 1.00 30.31 C ATOM 1389 OD1 ASP A 91 7.852 -12.158 -0.003 1.00 71.14 O ATOM 1390 OD2 ASP A 91 6.696 -12.483 -1.844 1.00 70.41 O ATOM 0 H ASP A 91 6.562 -13.793 1.025 1.00 42.10 H new ATOM 0 HA ASP A 91 4.061 -12.295 1.452 1.00 25.15 H new ATOM 0 HB2 ASP A 91 4.882 -11.145 -0.689 1.00 3.41 H new ATOM 0 HB3 ASP A 91 5.810 -10.855 0.769 1.00 3.41 H new ATOM 1395 N ILE A 92 3.846 -14.855 0.013 1.00 53.31 N ATOM 1396 CA ILE A 92 3.122 -15.752 -0.879 1.00 41.13 C ATOM 1397 C ILE A 92 1.949 -16.412 -0.162 1.00 65.32 C ATOM 1398 O ILE A 92 2.134 -17.136 0.816 1.00 23.33 O ATOM 1399 CB ILE A 92 4.045 -16.847 -1.446 1.00 52.24 C ATOM 1400 CG1 ILE A 92 5.324 -16.225 -2.011 1.00 14.40 C ATOM 1401 CG2 ILE A 92 3.320 -17.647 -2.519 1.00 5.12 C ATOM 1402 CD1 ILE A 92 6.290 -17.240 -2.578 1.00 64.32 C ATOM 0 H ILE A 92 4.220 -15.303 0.849 1.00 53.31 H new ATOM 0 HA ILE A 92 2.746 -15.144 -1.701 1.00 41.13 H new ATOM 0 HB ILE A 92 4.320 -17.525 -0.638 1.00 52.24 H new ATOM 0 HG12 ILE A 92 5.058 -15.513 -2.792 1.00 14.40 H new ATOM 0 HG13 ILE A 92 5.823 -15.661 -1.223 1.00 14.40 H new ATOM 0 HG21 ILE A 92 3.985 -18.417 -2.910 1.00 5.12 H new ATOM 0 HG22 ILE A 92 2.436 -18.116 -2.088 1.00 5.12 H new ATOM 0 HG23 ILE A 92 3.020 -16.982 -3.328 1.00 5.12 H new ATOM 0 HD11 ILE A 92 7.173 -16.728 -2.960 1.00 64.32 H new ATOM 0 HD12 ILE A 92 6.586 -17.938 -1.795 1.00 64.32 H new ATOM 0 HD13 ILE A 92 5.809 -17.787 -3.389 1.00 64.32 H new ATOM 1414 N PHE A 93 0.742 -16.159 -0.657 1.00 22.24 N ATOM 1415 CA PHE A 93 -0.462 -16.730 -0.064 1.00 2.22 C ATOM 1416 C PHE A 93 -1.004 -17.869 -0.923 1.00 4.34 C ATOM 1417 O PHE A 93 -1.539 -17.642 -2.008 1.00 12.44 O ATOM 1418 CB PHE A 93 -1.533 -15.650 0.106 1.00 22.45 C ATOM 1419 CG PHE A 93 -2.778 -16.143 0.787 1.00 62.43 C ATOM 1420 CD1 PHE A 93 -2.697 -16.917 1.933 1.00 2.34 C ATOM 1421 CD2 PHE A 93 -4.029 -15.834 0.279 1.00 54.20 C ATOM 1422 CE1 PHE A 93 -3.841 -17.372 2.562 1.00 4.31 C ATOM 1423 CE2 PHE A 93 -5.177 -16.286 0.904 1.00 45.55 C ATOM 1424 CZ PHE A 93 -5.082 -17.056 2.046 1.00 71.43 C ATOM 0 H PHE A 93 0.572 -15.563 -1.467 1.00 22.24 H new ATOM 0 HA PHE A 93 -0.200 -17.130 0.915 1.00 2.22 H new ATOM 0 HB2 PHE A 93 -1.116 -14.824 0.682 1.00 22.45 H new ATOM 0 HB3 PHE A 93 -1.797 -15.254 -0.875 1.00 22.45 H new ATOM 0 HD1 PHE A 93 -1.729 -17.168 2.340 1.00 2.34 H new ATOM 0 HD2 PHE A 93 -4.109 -15.233 -0.615 1.00 54.20 H new ATOM 0 HE1 PHE A 93 -3.764 -17.974 3.456 1.00 4.31 H new ATOM 0 HE2 PHE A 93 -6.147 -16.037 0.499 1.00 45.55 H new ATOM 0 HZ PHE A 93 -5.977 -17.411 2.535 1.00 71.43 H new ATOM 1434 N ARG A 94 -0.859 -19.094 -0.429 1.00 35.20 N ATOM 1435 CA ARG A 94 -1.332 -20.269 -1.151 1.00 33.20 C ATOM 1436 C ARG A 94 -2.741 -20.650 -0.706 1.00 32.41 C ATOM 1437 O ARG A 94 -3.070 -20.574 0.478 1.00 35.01 O ATOM 1438 CB ARG A 94 -0.380 -21.446 -0.931 1.00 74.41 C ATOM 1439 CG ARG A 94 0.939 -21.310 -1.673 1.00 1.51 C ATOM 1440 CD ARG A 94 1.970 -20.560 -0.843 1.00 34.01 C ATOM 1441 NE ARG A 94 3.317 -20.696 -1.390 1.00 52.32 N ATOM 1442 CZ ARG A 94 4.418 -20.375 -0.720 1.00 50.21 C ATOM 1443 NH1 ARG A 94 4.332 -19.903 0.516 1.00 40.32 N ATOM 1444 NH2 ARG A 94 5.608 -20.527 -1.286 1.00 44.42 N ATOM 0 H ARG A 94 -0.418 -19.299 0.468 1.00 35.20 H new ATOM 0 HA ARG A 94 -1.359 -20.026 -2.213 1.00 33.20 H new ATOM 0 HB2 ARG A 94 -0.178 -21.545 0.136 1.00 74.41 H new ATOM 0 HB3 ARG A 94 -0.873 -22.365 -1.249 1.00 74.41 H new ATOM 0 HG2 ARG A 94 1.321 -22.300 -1.922 1.00 1.51 H new ATOM 0 HG3 ARG A 94 0.776 -20.785 -2.614 1.00 1.51 H new ATOM 0 HD2 ARG A 94 1.702 -19.504 -0.799 1.00 34.01 H new ATOM 0 HD3 ARG A 94 1.955 -20.936 0.180 1.00 34.01 H new ATOM 0 HE ARG A 94 3.418 -21.057 -2.339 1.00 52.32 H new ATOM 0 HH11 ARG A 94 3.419 -19.786 0.955 1.00 40.32 H new ATOM 0 HH12 ARG A 94 5.179 -19.657 1.028 1.00 40.32 H new ATOM 0 HH21 ARG A 94 5.678 -20.891 -2.236 1.00 44.42 H new ATOM 0 HH22 ARG A 94 6.453 -20.280 -0.771 1.00 44.42 H new ATOM 1458 N ILE A 95 -3.568 -21.060 -1.662 1.00 44.13 N ATOM 1459 CA ILE A 95 -4.940 -21.453 -1.369 1.00 31.15 C ATOM 1460 C ILE A 95 -5.412 -22.551 -2.316 1.00 12.21 C ATOM 1461 O ILE A 95 -4.920 -22.671 -3.438 1.00 52.32 O ATOM 1462 CB ILE A 95 -5.903 -20.255 -1.469 1.00 23.14 C ATOM 1463 CG1 ILE A 95 -5.673 -19.497 -2.778 1.00 14.45 C ATOM 1464 CG2 ILE A 95 -5.722 -19.329 -0.275 1.00 21.20 C ATOM 1465 CD1 ILE A 95 -6.770 -18.507 -3.102 1.00 51.34 C ATOM 0 H ILE A 95 -3.311 -21.129 -2.647 1.00 44.13 H new ATOM 0 HA ILE A 95 -4.948 -21.830 -0.346 1.00 31.15 H new ATOM 0 HB ILE A 95 -6.927 -20.628 -1.462 1.00 23.14 H new ATOM 0 HG12 ILE A 95 -4.722 -18.968 -2.720 1.00 14.45 H new ATOM 0 HG13 ILE A 95 -5.589 -20.214 -3.594 1.00 14.45 H new ATOM 0 HG21 ILE A 95 -6.409 -18.487 -0.360 1.00 21.20 H new ATOM 0 HG22 ILE A 95 -5.930 -19.876 0.645 1.00 21.20 H new ATOM 0 HG23 ILE A 95 -4.697 -18.960 -0.253 1.00 21.20 H new ATOM 0 HD11 ILE A 95 -6.542 -18.006 -4.043 1.00 51.34 H new ATOM 0 HD12 ILE A 95 -7.720 -19.033 -3.192 1.00 51.34 H new ATOM 0 HD13 ILE A 95 -6.840 -17.767 -2.305 1.00 51.34 H new ATOM 1477 N TYR A 96 -6.370 -23.349 -1.857 1.00 52.53 N ATOM 1478 CA TYR A 96 -6.909 -24.437 -2.664 1.00 32.34 C ATOM 1479 C TYR A 96 -8.267 -24.061 -3.250 1.00 5.23 C ATOM 1480 O TYR A 96 -9.246 -23.898 -2.521 1.00 41.03 O ATOM 1481 CB TYR A 96 -7.039 -25.707 -1.821 1.00 75.53 C ATOM 1482 CG TYR A 96 -5.711 -26.304 -1.416 1.00 24.03 C ATOM 1483 CD1 TYR A 96 -4.894 -25.666 -0.491 1.00 25.02 C ATOM 1484 CD2 TYR A 96 -5.273 -27.507 -1.957 1.00 2.40 C ATOM 1485 CE1 TYR A 96 -3.678 -26.207 -0.118 1.00 74.11 C ATOM 1486 CE2 TYR A 96 -4.060 -28.056 -1.589 1.00 42.10 C ATOM 1487 CZ TYR A 96 -3.266 -27.402 -0.670 1.00 30.23 C ATOM 1488 OH TYR A 96 -2.057 -27.945 -0.300 1.00 21.31 O ATOM 0 H TYR A 96 -6.789 -23.263 -0.931 1.00 52.53 H new ATOM 0 HA TYR A 96 -6.218 -24.623 -3.487 1.00 32.34 H new ATOM 0 HB2 TYR A 96 -7.614 -25.480 -0.924 1.00 75.53 H new ATOM 0 HB3 TYR A 96 -7.605 -26.450 -2.383 1.00 75.53 H new ATOM 0 HD1 TYR A 96 -5.215 -24.731 -0.056 1.00 25.02 H new ATOM 0 HD2 TYR A 96 -5.892 -28.021 -2.677 1.00 2.40 H new ATOM 0 HE1 TYR A 96 -3.054 -25.697 0.601 1.00 74.11 H new ATOM 0 HE2 TYR A 96 -3.735 -28.992 -2.018 1.00 42.10 H new ATOM 0 HH TYR A 96 -1.917 -28.788 -0.779 1.00 21.31 H new ATOM 1498 N ILE A 97 -8.316 -23.925 -4.571 1.00 20.05 N ATOM 1499 CA ILE A 97 -9.553 -23.570 -5.256 1.00 5.34 C ATOM 1500 C ILE A 97 -10.354 -24.814 -5.623 1.00 54.31 C ATOM 1501 O ILE A 97 -9.806 -25.793 -6.130 1.00 2.42 O ATOM 1502 CB ILE A 97 -9.274 -22.756 -6.533 1.00 75.03 C ATOM 1503 CG1 ILE A 97 -8.344 -21.582 -6.224 1.00 5.22 C ATOM 1504 CG2 ILE A 97 -10.579 -22.260 -7.139 1.00 44.44 C ATOM 1505 CD1 ILE A 97 -8.877 -20.654 -5.155 1.00 45.40 C ATOM 0 H ILE A 97 -7.514 -24.055 -5.188 1.00 20.05 H new ATOM 0 HA ILE A 97 -10.134 -22.959 -4.565 1.00 5.34 H new ATOM 0 HB ILE A 97 -8.781 -23.403 -7.258 1.00 75.03 H new ATOM 0 HG12 ILE A 97 -7.376 -21.970 -5.907 1.00 5.22 H new ATOM 0 HG13 ILE A 97 -8.176 -21.012 -7.138 1.00 5.22 H new ATOM 0 HG21 ILE A 97 -10.366 -21.686 -8.041 1.00 44.44 H new ATOM 0 HG22 ILE A 97 -11.210 -23.112 -7.391 1.00 44.44 H new ATOM 0 HG23 ILE A 97 -11.097 -21.626 -6.419 1.00 44.44 H new ATOM 0 HD11 ILE A 97 -8.166 -19.845 -4.988 1.00 45.40 H new ATOM 0 HD12 ILE A 97 -9.831 -20.237 -5.478 1.00 45.40 H new ATOM 0 HD13 ILE A 97 -9.019 -21.210 -4.228 1.00 45.40 H new ATOM 1517 N LYS A 98 -11.657 -24.768 -5.366 1.00 31.41 N ATOM 1518 CA LYS A 98 -12.537 -25.890 -5.672 1.00 14.22 C ATOM 1519 C LYS A 98 -13.900 -25.397 -6.150 1.00 23.54 C ATOM 1520 O LYS A 98 -14.544 -24.587 -5.485 1.00 51.32 O ATOM 1521 CB LYS A 98 -12.709 -26.781 -4.440 1.00 23.22 C ATOM 1522 CG LYS A 98 -11.757 -27.964 -4.408 1.00 21.40 C ATOM 1523 CD LYS A 98 -12.270 -29.069 -3.499 1.00 1.52 C ATOM 1524 CE LYS A 98 -11.691 -30.421 -3.883 1.00 64.32 C ATOM 1525 NZ LYS A 98 -12.617 -31.537 -3.546 1.00 22.53 N ATOM 0 H LYS A 98 -12.127 -23.966 -4.947 1.00 31.41 H new ATOM 0 HA LYS A 98 -12.079 -26.471 -6.472 1.00 14.22 H new ATOM 0 HB2 LYS A 98 -12.559 -26.180 -3.543 1.00 23.22 H new ATOM 0 HB3 LYS A 98 -13.734 -27.149 -4.409 1.00 23.22 H new ATOM 0 HG2 LYS A 98 -11.626 -28.354 -5.417 1.00 21.40 H new ATOM 0 HG3 LYS A 98 -10.777 -27.634 -4.064 1.00 21.40 H new ATOM 0 HD2 LYS A 98 -12.010 -28.841 -2.465 1.00 1.52 H new ATOM 0 HD3 LYS A 98 -13.358 -29.110 -3.552 1.00 1.52 H new ATOM 0 HE2 LYS A 98 -11.479 -30.435 -4.952 1.00 64.32 H new ATOM 0 HE3 LYS A 98 -10.742 -30.569 -3.368 1.00 64.32 H new ATOM 0 HZ1 LYS A 98 -12.186 -32.442 -3.823 1.00 22.53 H new ATOM 0 HZ2 LYS A 98 -12.799 -31.540 -2.522 1.00 22.53 H new ATOM 0 HZ3 LYS A 98 -13.514 -31.410 -4.057 1.00 22.53 H new ATOM 1539 N GLU A 99 -14.332 -25.894 -7.304 1.00 61.45 N ATOM 1540 CA GLU A 99 -15.618 -25.504 -7.869 1.00 74.44 C ATOM 1541 C GLU A 99 -16.760 -26.258 -7.194 1.00 33.32 C ATOM 1542 O GLU A 99 -16.688 -27.472 -6.997 1.00 11.41 O ATOM 1543 CB GLU A 99 -15.640 -25.768 -9.376 1.00 62.14 C ATOM 1544 CG GLU A 99 -15.258 -27.190 -9.751 1.00 24.20 C ATOM 1545 CD GLU A 99 -16.337 -27.893 -10.550 1.00 75.14 C ATOM 1546 OE1 GLU A 99 -17.428 -28.134 -9.992 1.00 22.42 O ATOM 1547 OE2 GLU A 99 -16.092 -28.202 -11.735 1.00 45.34 O ATOM 0 H GLU A 99 -13.811 -26.567 -7.866 1.00 61.45 H new ATOM 0 HA GLU A 99 -15.754 -24.437 -7.692 1.00 74.44 H new ATOM 0 HB2 GLU A 99 -16.638 -25.556 -9.759 1.00 62.14 H new ATOM 0 HB3 GLU A 99 -14.957 -25.076 -9.868 1.00 62.14 H new ATOM 0 HG2 GLU A 99 -14.335 -27.173 -10.330 1.00 24.20 H new ATOM 0 HG3 GLU A 99 -15.054 -27.759 -8.844 1.00 24.20 H new ATOM 1554 N LYS A 100 -17.814 -25.531 -6.840 1.00 52.31 N ATOM 1555 CA LYS A 100 -18.973 -26.128 -6.187 1.00 61.31 C ATOM 1556 C LYS A 100 -19.733 -27.034 -7.150 1.00 60.53 C ATOM 1557 O LYS A 100 -19.744 -28.255 -6.991 1.00 64.45 O ATOM 1558 CB LYS A 100 -19.904 -25.036 -5.655 1.00 60.33 C ATOM 1559 CG LYS A 100 -19.242 -24.108 -4.652 1.00 1.01 C ATOM 1560 CD LYS A 100 -20.255 -23.517 -3.686 1.00 52.33 C ATOM 1561 CE LYS A 100 -21.305 -22.692 -4.416 1.00 21.44 C ATOM 1562 NZ LYS A 100 -22.321 -22.135 -3.480 1.00 71.42 N ATOM 0 H LYS A 100 -17.890 -24.526 -6.995 1.00 52.31 H new ATOM 0 HA LYS A 100 -18.617 -26.732 -5.352 1.00 61.31 H new ATOM 0 HB2 LYS A 100 -20.275 -24.446 -6.493 1.00 60.33 H new ATOM 0 HB3 LYS A 100 -20.770 -25.505 -5.187 1.00 60.33 H new ATOM 0 HG2 LYS A 100 -18.483 -24.656 -4.094 1.00 1.01 H new ATOM 0 HG3 LYS A 100 -18.731 -23.304 -5.181 1.00 1.01 H new ATOM 0 HD2 LYS A 100 -20.742 -24.319 -3.131 1.00 52.33 H new ATOM 0 HD3 LYS A 100 -19.741 -22.891 -2.956 1.00 52.33 H new ATOM 0 HE2 LYS A 100 -20.819 -21.877 -4.951 1.00 21.44 H new ATOM 0 HE3 LYS A 100 -21.800 -23.313 -5.162 1.00 21.44 H new ATOM 0 HZ1 LYS A 100 -23.019 -21.580 -4.015 1.00 71.42 H new ATOM 0 HZ2 LYS A 100 -22.803 -22.914 -2.987 1.00 71.42 H new ATOM 0 HZ3 LYS A 100 -21.852 -21.522 -2.783 1.00 71.42 H new TER 1576 LYS A 100