USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 746 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 7 HIS : no HD1:sc= -0.0135 X(o=-0.014,f=-0.055) USER MOD Single : A 8 HIS : no HD1:sc= 0.423 K(o=0.42,f=-1.4) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.0313 K(o=-0.031,f=-0.8) USER MOD Single : A 47 TYR OH : rot 154:sc= 0.0844 USER MOD Single : A 48 MET CE :methyl -172:sc= 0 (180deg=-0.0662) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.338 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.609 K(o=0.61,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -161:sc= 0.821 (180deg=0.615) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -136:sc= -1.51 (180deg=-5.09!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= -0.0332 USER MOD Single : A 112 HIS : no HD1:sc= -0.279 K(o=-0.28,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 69.532 103.153 27.104 1.00 0.00 N ATOM 2 CA MET A 1 69.017 101.818 26.660 1.00 0.00 C ATOM 3 C MET A 1 67.602 101.539 27.208 1.00 0.00 C ATOM 4 O MET A 1 67.433 100.821 28.195 1.00 0.00 O ATOM 5 CB MET A 1 70.029 100.670 26.941 1.00 0.00 C ATOM 6 CG MET A 1 70.546 100.522 28.386 1.00 0.00 C ATOM 7 SD MET A 1 71.708 99.144 28.614 1.00 0.00 S ATOM 8 CE MET A 1 72.048 99.325 30.388 1.00 0.00 C ATOM 0 H1 MET A 1 70.485 103.304 26.716 1.00 0.00 H new ATOM 0 H2 MET A 1 68.896 103.902 26.762 1.00 0.00 H new ATOM 0 H3 MET A 1 69.573 103.181 28.143 1.00 0.00 H new ATOM 0 HA MET A 1 68.917 101.854 25.575 1.00 0.00 H new ATOM 0 HB2 MET A 1 69.561 99.729 26.652 1.00 0.00 H new ATOM 0 HB3 MET A 1 70.890 100.811 26.287 1.00 0.00 H new ATOM 0 HG2 MET A 1 71.035 101.450 28.683 1.00 0.00 H new ATOM 0 HG3 MET A 1 69.696 100.382 29.053 1.00 0.00 H new ATOM 0 HE1 MET A 1 72.750 98.554 30.704 1.00 0.00 H new ATOM 0 HE2 MET A 1 72.479 100.308 30.577 1.00 0.00 H new ATOM 0 HE3 MET A 1 71.119 99.222 30.949 1.00 0.00 H new ATOM 20 N ARG A 2 66.564 102.129 26.585 1.00 0.00 N ATOM 21 CA ARG A 2 65.137 101.947 26.952 1.00 0.00 C ATOM 22 C ARG A 2 64.186 102.102 25.752 1.00 0.00 C ATOM 23 O ARG A 2 64.564 102.664 24.721 1.00 0.00 O ATOM 24 CB ARG A 2 64.761 102.900 28.109 1.00 0.00 C ATOM 25 CG ARG A 2 64.781 104.395 27.739 1.00 0.00 C ATOM 26 CD ARG A 2 64.535 105.292 28.959 1.00 0.00 C ATOM 27 NE ARG A 2 63.175 105.120 29.516 1.00 0.00 N ATOM 28 CZ ARG A 2 62.759 105.480 30.719 1.00 0.00 C ATOM 29 NH1 ARG A 2 63.543 106.071 31.577 1.00 0.00 N ATOM 30 NH2 ARG A 2 61.530 105.254 31.088 1.00 0.00 N ATOM 0 H ARG A 2 66.692 102.760 25.794 1.00 0.00 H new ATOM 0 HA ARG A 2 65.015 100.919 27.293 1.00 0.00 H new ATOM 0 HB2 ARG A 2 63.765 102.641 28.467 1.00 0.00 H new ATOM 0 HB3 ARG A 2 65.450 102.735 28.937 1.00 0.00 H new ATOM 0 HG2 ARG A 2 65.744 104.645 27.293 1.00 0.00 H new ATOM 0 HG3 ARG A 2 64.019 104.592 26.985 1.00 0.00 H new ATOM 0 HD2 ARG A 2 65.272 105.065 29.729 1.00 0.00 H new ATOM 0 HD3 ARG A 2 64.680 106.335 28.676 1.00 0.00 H new ATOM 0 HE ARG A 2 62.486 104.677 28.908 1.00 0.00 H new ATOM 0 HH11 ARG A 2 64.512 106.270 31.329 1.00 0.00 H new ATOM 0 HH12 ARG A 2 63.187 106.334 32.496 1.00 0.00 H new ATOM 0 HH21 ARG A 2 60.881 104.797 30.448 1.00 0.00 H new ATOM 0 HH22 ARG A 2 61.217 105.535 32.017 1.00 0.00 H new ATOM 44 N GLY A 3 62.944 101.640 25.917 1.00 0.00 N ATOM 45 CA GLY A 3 61.874 101.704 24.910 1.00 0.00 C ATOM 46 C GLY A 3 61.912 100.573 23.870 1.00 0.00 C ATOM 47 O GLY A 3 62.967 99.990 23.595 1.00 0.00 O ATOM 0 H GLY A 3 62.642 101.195 26.784 1.00 0.00 H new ATOM 0 HA2 GLY A 3 60.911 101.680 25.419 1.00 0.00 H new ATOM 0 HA3 GLY A 3 61.937 102.660 24.391 1.00 0.00 H new ATOM 51 N SER A 4 60.742 100.270 23.295 1.00 0.00 N ATOM 52 CA SER A 4 60.506 99.161 22.350 1.00 0.00 C ATOM 53 C SER A 4 59.467 99.525 21.277 1.00 0.00 C ATOM 54 O SER A 4 58.650 100.432 21.467 1.00 0.00 O ATOM 55 CB SER A 4 60.008 97.913 23.103 1.00 0.00 C ATOM 56 OG SER A 4 60.967 97.446 24.045 1.00 0.00 O ATOM 0 H SER A 4 59.897 100.810 23.480 1.00 0.00 H new ATOM 0 HA SER A 4 61.459 98.959 21.861 1.00 0.00 H new ATOM 0 HB2 SER A 4 59.077 98.147 23.618 1.00 0.00 H new ATOM 0 HB3 SER A 4 59.786 97.121 22.387 1.00 0.00 H new ATOM 0 HG SER A 4 60.616 96.655 24.504 1.00 0.00 H new ATOM 62 N HIS A 5 59.460 98.777 20.166 1.00 0.00 N ATOM 63 CA HIS A 5 58.489 98.890 19.064 1.00 0.00 C ATOM 64 C HIS A 5 57.872 97.524 18.719 1.00 0.00 C ATOM 65 O HIS A 5 58.504 96.482 18.919 1.00 0.00 O ATOM 66 CB HIS A 5 59.164 99.524 17.836 1.00 0.00 C ATOM 67 CG HIS A 5 59.681 100.923 18.080 1.00 0.00 C ATOM 68 ND1 HIS A 5 61.021 101.273 18.293 1.00 0.00 N ATOM 69 CD2 HIS A 5 58.918 102.053 18.134 1.00 0.00 C ATOM 70 CE1 HIS A 5 61.029 102.606 18.472 1.00 0.00 C ATOM 71 NE2 HIS A 5 59.781 103.099 18.380 1.00 0.00 N ATOM 0 H HIS A 5 60.155 98.049 20.002 1.00 0.00 H new ATOM 0 HA HIS A 5 57.673 99.537 19.386 1.00 0.00 H new ATOM 0 HB2 HIS A 5 59.993 98.890 17.521 1.00 0.00 H new ATOM 0 HB3 HIS A 5 58.450 99.549 17.013 1.00 0.00 H new ATOM 0 HD2 HIS A 5 57.847 102.115 18.008 1.00 0.00 H new ATOM 0 HE1 HIS A 5 61.913 103.197 18.663 1.00 0.00 H new ATOM 0 HE2 HIS A 5 59.518 104.080 18.476 1.00 0.00 H new ATOM 79 N HIS A 6 56.645 97.524 18.192 1.00 0.00 N ATOM 80 CA HIS A 6 55.794 96.334 18.010 1.00 0.00 C ATOM 81 C HIS A 6 55.082 96.293 16.641 1.00 0.00 C ATOM 82 O HIS A 6 55.166 97.236 15.850 1.00 0.00 O ATOM 83 CB HIS A 6 54.778 96.295 19.170 1.00 0.00 C ATOM 84 CG HIS A 6 53.725 97.381 19.109 1.00 0.00 C ATOM 85 ND1 HIS A 6 53.947 98.751 19.300 1.00 0.00 N ATOM 86 CD2 HIS A 6 52.399 97.183 18.850 1.00 0.00 C ATOM 87 CE1 HIS A 6 52.749 99.343 19.146 1.00 0.00 C ATOM 88 NE2 HIS A 6 51.803 98.426 18.876 1.00 0.00 N ATOM 0 H HIS A 6 56.196 98.380 17.867 1.00 0.00 H new ATOM 0 HA HIS A 6 56.430 95.449 18.023 1.00 0.00 H new ATOM 0 HB2 HIS A 6 54.283 95.324 19.172 1.00 0.00 H new ATOM 0 HB3 HIS A 6 55.317 96.380 20.113 1.00 0.00 H new ATOM 0 HD2 HIS A 6 51.912 96.238 18.662 1.00 0.00 H new ATOM 0 HE1 HIS A 6 52.572 100.405 19.228 1.00 0.00 H new ATOM 0 HE2 HIS A 6 50.814 98.617 18.718 1.00 0.00 H new ATOM 96 N HIS A 7 54.359 95.191 16.379 1.00 0.00 N ATOM 97 CA HIS A 7 53.550 94.955 15.165 1.00 0.00 C ATOM 98 C HIS A 7 54.347 95.082 13.850 1.00 0.00 C ATOM 99 O HIS A 7 53.944 95.760 12.900 1.00 0.00 O ATOM 100 CB HIS A 7 52.255 95.786 15.225 1.00 0.00 C ATOM 101 CG HIS A 7 51.214 95.362 14.213 1.00 0.00 C ATOM 102 ND1 HIS A 7 50.722 94.061 14.049 1.00 0.00 N ATOM 103 CD2 HIS A 7 50.595 96.183 13.314 1.00 0.00 C ATOM 104 CE1 HIS A 7 49.825 94.129 13.048 1.00 0.00 C ATOM 105 NE2 HIS A 7 49.728 95.391 12.592 1.00 0.00 N ATOM 0 H HIS A 7 54.319 94.408 17.031 1.00 0.00 H new ATOM 0 HA HIS A 7 53.251 93.907 15.154 1.00 0.00 H new ATOM 0 HB2 HIS A 7 51.830 95.708 16.225 1.00 0.00 H new ATOM 0 HB3 HIS A 7 52.500 96.836 15.064 1.00 0.00 H new ATOM 0 HD2 HIS A 7 50.754 97.244 13.193 1.00 0.00 H new ATOM 0 HE1 HIS A 7 49.263 93.290 12.665 1.00 0.00 H new ATOM 0 HE2 HIS A 7 49.117 95.708 11.840 1.00 0.00 H new ATOM 113 N HIS A 8 55.511 94.421 13.803 1.00 0.00 N ATOM 114 CA HIS A 8 56.417 94.417 12.640 1.00 0.00 C ATOM 115 C HIS A 8 55.958 93.486 11.503 1.00 0.00 C ATOM 116 O HIS A 8 56.395 93.636 10.360 1.00 0.00 O ATOM 117 CB HIS A 8 57.828 94.016 13.101 1.00 0.00 C ATOM 118 CG HIS A 8 58.389 94.899 14.190 1.00 0.00 C ATOM 119 ND1 HIS A 8 58.902 96.188 14.011 1.00 0.00 N ATOM 120 CD2 HIS A 8 58.462 94.573 15.514 1.00 0.00 C ATOM 121 CE1 HIS A 8 59.269 96.608 15.234 1.00 0.00 C ATOM 122 NE2 HIS A 8 59.016 95.659 16.153 1.00 0.00 N ATOM 0 H HIS A 8 55.858 93.864 14.584 1.00 0.00 H new ATOM 0 HA HIS A 8 56.411 95.427 12.230 1.00 0.00 H new ATOM 0 HB2 HIS A 8 57.804 92.986 13.458 1.00 0.00 H new ATOM 0 HB3 HIS A 8 58.501 94.041 12.244 1.00 0.00 H new ATOM 0 HD2 HIS A 8 58.147 93.646 15.970 1.00 0.00 H new ATOM 0 HE1 HIS A 8 59.706 97.572 15.449 1.00 0.00 H new ATOM 0 HE2 HIS A 8 59.203 95.732 17.153 1.00 0.00 H new ATOM 130 N HIS A 9 55.101 92.506 11.812 1.00 0.00 N ATOM 131 CA HIS A 9 54.711 91.412 10.915 1.00 0.00 C ATOM 132 C HIS A 9 53.675 91.838 9.860 1.00 0.00 C ATOM 133 O HIS A 9 52.726 92.567 10.159 1.00 0.00 O ATOM 134 CB HIS A 9 54.183 90.234 11.752 1.00 0.00 C ATOM 135 CG HIS A 9 55.140 89.785 12.834 1.00 0.00 C ATOM 136 ND1 HIS A 9 55.183 90.290 14.141 1.00 0.00 N ATOM 137 CD2 HIS A 9 56.121 88.849 12.691 1.00 0.00 C ATOM 138 CE1 HIS A 9 56.188 89.639 14.753 1.00 0.00 C ATOM 139 NE2 HIS A 9 56.767 88.768 13.906 1.00 0.00 N ATOM 0 H HIS A 9 54.645 92.451 12.723 1.00 0.00 H new ATOM 0 HA HIS A 9 55.599 91.109 10.360 1.00 0.00 H new ATOM 0 HB2 HIS A 9 53.237 90.520 12.211 1.00 0.00 H new ATOM 0 HB3 HIS A 9 53.975 89.393 11.090 1.00 0.00 H new ATOM 0 HD2 HIS A 9 56.348 88.282 11.800 1.00 0.00 H new ATOM 0 HE1 HIS A 9 56.488 89.793 15.779 1.00 0.00 H new ATOM 0 HE2 HIS A 9 57.550 88.153 14.126 1.00 0.00 H new ATOM 147 N HIS A 10 53.837 91.338 8.629 1.00 0.00 N ATOM 148 CA HIS A 10 52.903 91.518 7.504 1.00 0.00 C ATOM 149 C HIS A 10 53.008 90.362 6.490 1.00 0.00 C ATOM 150 O HIS A 10 54.008 89.637 6.461 1.00 0.00 O ATOM 151 CB HIS A 10 53.161 92.872 6.815 1.00 0.00 C ATOM 152 CG HIS A 10 54.495 92.973 6.109 1.00 0.00 C ATOM 153 ND1 HIS A 10 54.714 92.732 4.748 1.00 0.00 N ATOM 154 CD2 HIS A 10 55.680 93.321 6.691 1.00 0.00 C ATOM 155 CE1 HIS A 10 56.028 92.933 4.545 1.00 0.00 C ATOM 156 NE2 HIS A 10 56.631 93.289 5.693 1.00 0.00 N ATOM 0 H HIS A 10 54.650 90.776 8.377 1.00 0.00 H new ATOM 0 HA HIS A 10 51.888 91.510 7.902 1.00 0.00 H new ATOM 0 HB2 HIS A 10 52.367 93.054 6.091 1.00 0.00 H new ATOM 0 HB3 HIS A 10 53.099 93.663 7.562 1.00 0.00 H new ATOM 0 HD2 HIS A 10 55.841 93.572 7.729 1.00 0.00 H new ATOM 0 HE1 HIS A 10 56.528 92.824 3.594 1.00 0.00 H new ATOM 0 HE2 HIS A 10 57.623 93.499 5.806 1.00 0.00 H new ATOM 164 N GLY A 11 51.976 90.187 5.658 1.00 0.00 N ATOM 165 CA GLY A 11 51.946 89.185 4.582 1.00 0.00 C ATOM 166 C GLY A 11 50.540 88.881 4.047 1.00 0.00 C ATOM 167 O GLY A 11 49.530 89.211 4.677 1.00 0.00 O ATOM 0 H GLY A 11 51.124 90.745 5.712 1.00 0.00 H new ATOM 0 HA2 GLY A 11 52.569 89.534 3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 11 52.391 88.260 4.949 1.00 0.00 H new ATOM 171 N SER A 28 50.480 88.237 2.878 1.00 0.00 N ATOM 172 CA SER A 28 49.251 87.737 2.239 1.00 0.00 C ATOM 173 C SER A 28 49.550 86.531 1.332 1.00 0.00 C ATOM 174 O SER A 28 50.675 86.372 0.847 1.00 0.00 O ATOM 175 CB SER A 28 48.584 88.858 1.432 1.00 0.00 C ATOM 176 OG SER A 28 47.273 88.473 1.041 1.00 0.00 O ATOM 0 H SER A 28 51.315 88.040 2.327 1.00 0.00 H new ATOM 0 HA SER A 28 48.568 87.408 3.022 1.00 0.00 H new ATOM 0 HB2 SER A 28 48.540 89.768 2.030 1.00 0.00 H new ATOM 0 HB3 SER A 28 49.182 89.085 0.549 1.00 0.00 H new ATOM 0 HG SER A 28 46.858 89.198 0.528 1.00 0.00 H new ATOM 182 N VAL A 29 48.555 85.666 1.104 1.00 0.00 N ATOM 183 CA VAL A 29 48.681 84.446 0.282 1.00 0.00 C ATOM 184 C VAL A 29 48.503 84.740 -1.218 1.00 0.00 C ATOM 185 O VAL A 29 47.694 85.585 -1.609 1.00 0.00 O ATOM 186 CB VAL A 29 47.740 83.339 0.803 1.00 0.00 C ATOM 187 CG1 VAL A 29 46.255 83.610 0.535 1.00 0.00 C ATOM 188 CG2 VAL A 29 48.102 81.961 0.238 1.00 0.00 C ATOM 0 H VAL A 29 47.620 85.792 1.491 1.00 0.00 H new ATOM 0 HA VAL A 29 49.699 84.069 0.383 1.00 0.00 H new ATOM 0 HB VAL A 29 47.890 83.345 1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 29 45.658 82.788 0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 29 45.961 84.539 1.023 1.00 0.00 H new ATOM 0 HG13 VAL A 29 46.089 83.696 -0.539 1.00 0.00 H new ATOM 0 HG21 VAL A 29 47.413 81.214 0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 29 48.030 81.983 -0.849 1.00 0.00 H new ATOM 0 HG23 VAL A 29 49.121 81.705 0.529 1.00 0.00 H new ATOM 198 N SER A 30 49.259 84.037 -2.069 1.00 0.00 N ATOM 199 CA SER A 30 49.154 84.130 -3.536 1.00 0.00 C ATOM 200 C SER A 30 47.972 83.318 -4.091 1.00 0.00 C ATOM 201 O SER A 30 47.577 82.302 -3.512 1.00 0.00 O ATOM 202 CB SER A 30 50.456 83.663 -4.204 1.00 0.00 C ATOM 203 OG SER A 30 51.557 84.450 -3.763 1.00 0.00 O ATOM 0 H SER A 30 49.972 83.377 -1.757 1.00 0.00 H new ATOM 0 HA SER A 30 48.978 85.180 -3.770 1.00 0.00 H new ATOM 0 HB2 SER A 30 50.635 82.614 -3.969 1.00 0.00 H new ATOM 0 HB3 SER A 30 50.361 83.736 -5.287 1.00 0.00 H new ATOM 0 HG SER A 30 52.378 84.137 -4.198 1.00 0.00 H new ATOM 209 N PHE A 31 47.440 83.737 -5.245 1.00 0.00 N ATOM 210 CA PHE A 31 46.359 83.054 -5.971 1.00 0.00 C ATOM 211 C PHE A 31 46.765 82.735 -7.422 1.00 0.00 C ATOM 212 O PHE A 31 47.519 83.485 -8.050 1.00 0.00 O ATOM 213 CB PHE A 31 45.073 83.892 -5.906 1.00 0.00 C ATOM 214 CG PHE A 31 44.511 84.052 -4.502 1.00 0.00 C ATOM 215 CD1 PHE A 31 43.704 83.040 -3.946 1.00 0.00 C ATOM 216 CD2 PHE A 31 44.805 85.202 -3.743 1.00 0.00 C ATOM 217 CE1 PHE A 31 43.194 83.176 -2.643 1.00 0.00 C ATOM 218 CE2 PHE A 31 44.294 85.338 -2.439 1.00 0.00 C ATOM 219 CZ PHE A 31 43.488 84.326 -1.889 1.00 0.00 C ATOM 0 H PHE A 31 47.758 84.585 -5.714 1.00 0.00 H new ATOM 0 HA PHE A 31 46.166 82.097 -5.487 1.00 0.00 H new ATOM 0 HB2 PHE A 31 45.274 84.880 -6.321 1.00 0.00 H new ATOM 0 HB3 PHE A 31 44.316 83.428 -6.539 1.00 0.00 H new ATOM 0 HD1 PHE A 31 43.476 82.156 -4.523 1.00 0.00 H new ATOM 0 HD2 PHE A 31 45.424 85.981 -4.163 1.00 0.00 H new ATOM 0 HE1 PHE A 31 42.576 82.397 -2.221 1.00 0.00 H new ATOM 0 HE2 PHE A 31 44.521 86.221 -1.860 1.00 0.00 H new ATOM 0 HZ PHE A 31 43.095 84.432 -0.889 1.00 0.00 H new ATOM 229 N GLY A 32 46.264 81.613 -7.953 1.00 0.00 N ATOM 230 CA GLY A 32 46.712 81.036 -9.230 1.00 0.00 C ATOM 231 C GLY A 32 48.105 80.386 -9.161 1.00 0.00 C ATOM 232 O GLY A 32 48.773 80.405 -8.120 1.00 0.00 O ATOM 0 H GLY A 32 45.526 81.072 -7.503 1.00 0.00 H new ATOM 0 HA2 GLY A 32 45.988 80.289 -9.555 1.00 0.00 H new ATOM 0 HA3 GLY A 32 46.723 81.819 -9.988 1.00 0.00 H new ATOM 236 N ALA A 33 48.540 79.794 -10.276 1.00 0.00 N ATOM 237 CA ALA A 33 49.842 79.128 -10.425 1.00 0.00 C ATOM 238 C ALA A 33 50.378 79.223 -11.876 1.00 0.00 C ATOM 239 O ALA A 33 49.575 79.278 -12.816 1.00 0.00 O ATOM 240 CB ALA A 33 49.687 77.662 -9.991 1.00 0.00 C ATOM 0 H ALA A 33 47.980 79.762 -11.128 1.00 0.00 H new ATOM 0 HA ALA A 33 50.574 79.631 -9.793 1.00 0.00 H new ATOM 0 HB1 ALA A 33 50.643 77.149 -10.094 1.00 0.00 H new ATOM 0 HB2 ALA A 33 49.364 77.623 -8.951 1.00 0.00 H new ATOM 0 HB3 ALA A 33 48.943 77.173 -10.620 1.00 0.00 H new ATOM 246 N PRO A 34 51.712 79.217 -12.087 1.00 0.00 N ATOM 247 CA PRO A 34 52.313 79.215 -13.423 1.00 0.00 C ATOM 248 C PRO A 34 52.090 77.881 -14.160 1.00 0.00 C ATOM 249 O PRO A 34 52.020 76.810 -13.548 1.00 0.00 O ATOM 250 CB PRO A 34 53.801 79.504 -13.199 1.00 0.00 C ATOM 251 CG PRO A 34 54.063 78.924 -11.809 1.00 0.00 C ATOM 252 CD PRO A 34 52.756 79.206 -11.069 1.00 0.00 C ATOM 0 HA PRO A 34 51.852 79.965 -14.066 1.00 0.00 H new ATOM 0 HB2 PRO A 34 54.422 79.028 -13.958 1.00 0.00 H new ATOM 0 HB3 PRO A 34 54.014 80.572 -13.236 1.00 0.00 H new ATOM 0 HG2 PRO A 34 54.281 77.857 -11.851 1.00 0.00 H new ATOM 0 HG3 PRO A 34 54.913 79.404 -11.325 1.00 0.00 H new ATOM 0 HD2 PRO A 34 52.560 78.441 -10.318 1.00 0.00 H new ATOM 0 HD3 PRO A 34 52.802 80.162 -10.547 1.00 0.00 H new ATOM 260 N SER A 35 52.000 77.941 -15.492 1.00 0.00 N ATOM 261 CA SER A 35 51.766 76.769 -16.354 1.00 0.00 C ATOM 262 C SER A 35 53.018 75.880 -16.507 1.00 0.00 C ATOM 263 O SER A 35 54.138 76.407 -16.534 1.00 0.00 O ATOM 264 CB SER A 35 51.288 77.208 -17.744 1.00 0.00 C ATOM 265 OG SER A 35 50.094 77.975 -17.645 1.00 0.00 O ATOM 0 H SER A 35 52.088 78.814 -16.012 1.00 0.00 H new ATOM 0 HA SER A 35 50.995 76.177 -15.862 1.00 0.00 H new ATOM 0 HB2 SER A 35 52.065 77.796 -18.232 1.00 0.00 H new ATOM 0 HB3 SER A 35 51.113 76.331 -18.368 1.00 0.00 H new ATOM 0 HG SER A 35 49.805 78.248 -18.541 1.00 0.00 H new ATOM 271 N PRO A 36 52.863 74.547 -16.657 1.00 0.00 N ATOM 272 CA PRO A 36 53.966 73.634 -16.973 1.00 0.00 C ATOM 273 C PRO A 36 54.469 73.802 -18.422 1.00 0.00 C ATOM 274 O PRO A 36 53.791 74.392 -19.271 1.00 0.00 O ATOM 275 CB PRO A 36 53.404 72.231 -16.720 1.00 0.00 C ATOM 276 CG PRO A 36 51.922 72.388 -17.058 1.00 0.00 C ATOM 277 CD PRO A 36 51.611 73.804 -16.573 1.00 0.00 C ATOM 0 HA PRO A 36 54.842 73.837 -16.356 1.00 0.00 H new ATOM 0 HB2 PRO A 36 53.885 71.484 -17.351 1.00 0.00 H new ATOM 0 HB3 PRO A 36 53.551 71.918 -15.686 1.00 0.00 H new ATOM 0 HG2 PRO A 36 51.737 72.277 -18.126 1.00 0.00 H new ATOM 0 HG3 PRO A 36 51.310 71.643 -16.549 1.00 0.00 H new ATOM 0 HD2 PRO A 36 50.841 74.267 -17.191 1.00 0.00 H new ATOM 0 HD3 PRO A 36 51.234 73.791 -15.550 1.00 0.00 H new ATOM 285 N LEU A 37 55.655 73.254 -18.713 1.00 0.00 N ATOM 286 CA LEU A 37 56.288 73.270 -20.040 1.00 0.00 C ATOM 287 C LEU A 37 56.886 71.890 -20.379 1.00 0.00 C ATOM 288 O LEU A 37 57.674 71.341 -19.605 1.00 0.00 O ATOM 289 CB LEU A 37 57.317 74.421 -20.073 1.00 0.00 C ATOM 290 CG LEU A 37 57.940 74.695 -21.459 1.00 0.00 C ATOM 291 CD1 LEU A 37 58.347 76.166 -21.571 1.00 0.00 C ATOM 292 CD2 LEU A 37 59.201 73.865 -21.723 1.00 0.00 C ATOM 0 H LEU A 37 56.218 72.773 -18.012 1.00 0.00 H new ATOM 0 HA LEU A 37 55.552 73.460 -20.821 1.00 0.00 H new ATOM 0 HB2 LEU A 37 56.833 75.332 -19.722 1.00 0.00 H new ATOM 0 HB3 LEU A 37 58.118 74.194 -19.369 1.00 0.00 H new ATOM 0 HG LEU A 37 57.175 74.425 -22.187 1.00 0.00 H new ATOM 0 HD11 LEU A 37 58.785 76.349 -22.552 1.00 0.00 H new ATOM 0 HD12 LEU A 37 57.468 76.798 -21.443 1.00 0.00 H new ATOM 0 HD13 LEU A 37 59.078 76.401 -20.798 1.00 0.00 H new ATOM 0 HD21 LEU A 37 59.592 74.102 -22.712 1.00 0.00 H new ATOM 0 HD22 LEU A 37 59.954 74.098 -20.970 1.00 0.00 H new ATOM 0 HD23 LEU A 37 58.955 72.804 -21.675 1.00 0.00 H new ATOM 304 N SER A 38 56.521 71.360 -21.554 1.00 0.00 N ATOM 305 CA SER A 38 56.870 70.001 -22.024 1.00 0.00 C ATOM 306 C SER A 38 57.231 69.967 -23.524 1.00 0.00 C ATOM 307 O SER A 38 56.982 68.981 -24.221 1.00 0.00 O ATOM 308 CB SER A 38 55.724 69.019 -21.711 1.00 0.00 C ATOM 309 OG SER A 38 55.397 69.012 -20.326 1.00 0.00 O ATOM 0 H SER A 38 55.957 71.876 -22.229 1.00 0.00 H new ATOM 0 HA SER A 38 57.764 69.690 -21.483 1.00 0.00 H new ATOM 0 HB2 SER A 38 54.843 69.292 -22.291 1.00 0.00 H new ATOM 0 HB3 SER A 38 56.011 68.014 -22.022 1.00 0.00 H new ATOM 0 HG SER A 38 54.666 68.379 -20.166 1.00 0.00 H new ATOM 315 N SER A 39 57.777 71.073 -24.047 1.00 0.00 N ATOM 316 CA SER A 39 57.880 71.360 -25.492 1.00 0.00 C ATOM 317 C SER A 39 58.949 70.563 -26.262 1.00 0.00 C ATOM 318 O SER A 39 58.969 70.611 -27.494 1.00 0.00 O ATOM 319 CB SER A 39 58.125 72.862 -25.700 1.00 0.00 C ATOM 320 OG SER A 39 57.160 73.634 -24.991 1.00 0.00 O ATOM 0 H SER A 39 58.170 71.814 -23.466 1.00 0.00 H new ATOM 0 HA SER A 39 56.926 71.037 -25.909 1.00 0.00 H new ATOM 0 HB2 SER A 39 59.127 73.122 -25.360 1.00 0.00 H new ATOM 0 HB3 SER A 39 58.078 73.099 -26.763 1.00 0.00 H new ATOM 0 HG SER A 39 57.334 74.588 -25.135 1.00 0.00 H new ATOM 326 N GLU A 40 59.836 69.835 -25.574 1.00 0.00 N ATOM 327 CA GLU A 40 60.917 69.032 -26.175 1.00 0.00 C ATOM 328 C GLU A 40 60.926 67.587 -25.638 1.00 0.00 C ATOM 329 O GLU A 40 60.788 67.357 -24.432 1.00 0.00 O ATOM 330 CB GLU A 40 62.283 69.702 -25.936 1.00 0.00 C ATOM 331 CG GLU A 40 62.411 71.067 -26.625 1.00 0.00 C ATOM 332 CD GLU A 40 63.823 71.652 -26.427 1.00 0.00 C ATOM 333 OE1 GLU A 40 64.059 72.360 -25.417 1.00 0.00 O ATOM 334 OE2 GLU A 40 64.710 71.418 -27.285 1.00 0.00 O ATOM 0 H GLU A 40 59.825 69.784 -24.555 1.00 0.00 H new ATOM 0 HA GLU A 40 60.729 68.982 -27.248 1.00 0.00 H new ATOM 0 HB2 GLU A 40 62.438 69.826 -24.864 1.00 0.00 H new ATOM 0 HB3 GLU A 40 63.073 69.043 -26.298 1.00 0.00 H new ATOM 0 HG2 GLU A 40 62.202 70.963 -27.690 1.00 0.00 H new ATOM 0 HG3 GLU A 40 61.668 71.754 -26.220 1.00 0.00 H new ATOM 341 N SER A 41 61.097 66.611 -26.538 1.00 0.00 N ATOM 342 CA SER A 41 61.082 65.166 -26.245 1.00 0.00 C ATOM 343 C SER A 41 61.807 64.336 -27.323 1.00 0.00 C ATOM 344 O SER A 41 62.097 64.828 -28.417 1.00 0.00 O ATOM 345 CB SER A 41 59.629 64.678 -26.102 1.00 0.00 C ATOM 346 OG SER A 41 58.881 64.884 -27.296 1.00 0.00 O ATOM 0 H SER A 41 61.255 66.809 -27.526 1.00 0.00 H new ATOM 0 HA SER A 41 61.621 65.021 -25.309 1.00 0.00 H new ATOM 0 HB2 SER A 41 59.625 63.618 -25.849 1.00 0.00 H new ATOM 0 HB3 SER A 41 59.149 65.204 -25.277 1.00 0.00 H new ATOM 0 HG SER A 41 57.965 64.561 -27.168 1.00 0.00 H new ATOM 352 N GLU A 42 62.088 63.059 -27.016 1.00 0.00 N ATOM 353 CA GLU A 42 62.628 62.049 -27.953 1.00 0.00 C ATOM 354 C GLU A 42 64.014 62.382 -28.561 1.00 0.00 C ATOM 355 O GLU A 42 64.413 61.833 -29.590 1.00 0.00 O ATOM 356 CB GLU A 42 61.541 61.685 -28.989 1.00 0.00 C ATOM 357 CG GLU A 42 61.605 60.232 -29.479 1.00 0.00 C ATOM 358 CD GLU A 42 60.471 59.947 -30.482 1.00 0.00 C ATOM 359 OE1 GLU A 42 60.642 60.211 -31.698 1.00 0.00 O ATOM 360 OE2 GLU A 42 59.395 59.450 -30.065 1.00 0.00 O ATOM 0 H GLU A 42 61.942 62.685 -26.078 1.00 0.00 H new ATOM 0 HA GLU A 42 62.863 61.156 -27.373 1.00 0.00 H new ATOM 0 HB2 GLU A 42 60.560 61.866 -28.550 1.00 0.00 H new ATOM 0 HB3 GLU A 42 61.634 62.351 -29.847 1.00 0.00 H new ATOM 0 HG2 GLU A 42 62.570 60.044 -29.950 1.00 0.00 H new ATOM 0 HG3 GLU A 42 61.526 59.553 -28.630 1.00 0.00 H new ATOM 367 N ASP A 43 64.787 63.260 -27.909 1.00 0.00 N ATOM 368 CA ASP A 43 66.079 63.750 -28.423 1.00 0.00 C ATOM 369 C ASP A 43 67.227 62.723 -28.328 1.00 0.00 C ATOM 370 O ASP A 43 68.225 62.819 -29.044 1.00 0.00 O ATOM 371 CB ASP A 43 66.428 65.057 -27.697 1.00 0.00 C ATOM 372 CG ASP A 43 67.654 65.758 -28.310 1.00 0.00 C ATOM 373 OD1 ASP A 43 67.570 66.222 -29.474 1.00 0.00 O ATOM 374 OD2 ASP A 43 68.690 65.892 -27.615 1.00 0.00 O ATOM 0 H ASP A 43 64.534 63.655 -27.003 1.00 0.00 H new ATOM 0 HA ASP A 43 65.964 63.927 -29.492 1.00 0.00 H new ATOM 0 HB2 ASP A 43 65.571 65.730 -27.734 1.00 0.00 H new ATOM 0 HB3 ASP A 43 66.622 64.845 -26.645 1.00 0.00 H new ATOM 379 N GLU A 44 67.063 61.715 -27.466 1.00 0.00 N ATOM 380 CA GLU A 44 68.055 60.658 -27.187 1.00 0.00 C ATOM 381 C GLU A 44 67.431 59.241 -27.073 1.00 0.00 C ATOM 382 O GLU A 44 68.075 58.300 -26.605 1.00 0.00 O ATOM 383 CB GLU A 44 68.859 61.074 -25.935 1.00 0.00 C ATOM 384 CG GLU A 44 70.267 60.466 -25.865 1.00 0.00 C ATOM 385 CD GLU A 44 71.075 61.100 -24.716 1.00 0.00 C ATOM 386 OE1 GLU A 44 70.858 60.734 -23.535 1.00 0.00 O ATOM 387 OE2 GLU A 44 71.944 61.968 -24.985 1.00 0.00 O ATOM 0 H GLU A 44 66.208 61.604 -26.921 1.00 0.00 H new ATOM 0 HA GLU A 44 68.732 60.569 -28.037 1.00 0.00 H new ATOM 0 HB2 GLU A 44 68.942 62.161 -25.914 1.00 0.00 H new ATOM 0 HB3 GLU A 44 68.303 60.780 -25.045 1.00 0.00 H new ATOM 0 HG2 GLU A 44 70.197 59.389 -25.716 1.00 0.00 H new ATOM 0 HG3 GLU A 44 70.785 60.624 -26.811 1.00 0.00 H new ATOM 394 N ILE A 45 66.168 59.069 -27.496 1.00 0.00 N ATOM 395 CA ILE A 45 65.375 57.841 -27.302 1.00 0.00 C ATOM 396 C ILE A 45 65.354 56.967 -28.571 1.00 0.00 C ATOM 397 O ILE A 45 65.129 57.458 -29.678 1.00 0.00 O ATOM 398 CB ILE A 45 63.949 58.202 -26.820 1.00 0.00 C ATOM 399 CG1 ILE A 45 63.932 59.107 -25.562 1.00 0.00 C ATOM 400 CG2 ILE A 45 63.093 56.949 -26.568 1.00 0.00 C ATOM 401 CD1 ILE A 45 64.636 58.540 -24.321 1.00 0.00 C ATOM 0 H ILE A 45 65.656 59.797 -27.995 1.00 0.00 H new ATOM 0 HA ILE A 45 65.853 57.241 -26.528 1.00 0.00 H new ATOM 0 HB ILE A 45 63.513 58.774 -27.639 1.00 0.00 H new ATOM 0 HG12 ILE A 45 64.397 60.060 -25.817 1.00 0.00 H new ATOM 0 HG13 ILE A 45 62.894 59.318 -25.303 1.00 0.00 H new ATOM 0 HG21 ILE A 45 62.100 57.248 -26.231 1.00 0.00 H new ATOM 0 HG22 ILE A 45 63.006 56.376 -27.491 1.00 0.00 H new ATOM 0 HG23 ILE A 45 63.566 56.333 -25.803 1.00 0.00 H new ATOM 0 HD11 ILE A 45 64.562 59.256 -23.502 1.00 0.00 H new ATOM 0 HD12 ILE A 45 64.160 57.604 -24.029 1.00 0.00 H new ATOM 0 HD13 ILE A 45 65.686 58.357 -24.550 1.00 0.00 H new ATOM 413 N ASN A 46 65.518 55.651 -28.382 1.00 0.00 N ATOM 414 CA ASN A 46 65.423 54.605 -29.415 1.00 0.00 C ATOM 415 C ASN A 46 66.404 54.778 -30.604 1.00 0.00 C ATOM 416 O ASN A 46 66.017 54.683 -31.773 1.00 0.00 O ATOM 417 CB ASN A 46 63.942 54.409 -29.809 1.00 0.00 C ATOM 418 CG ASN A 46 63.682 53.132 -30.599 1.00 0.00 C ATOM 419 OD1 ASN A 46 64.460 52.185 -30.606 1.00 0.00 O ATOM 420 ND2 ASN A 46 62.551 53.045 -31.265 1.00 0.00 N ATOM 0 H ASN A 46 65.731 55.266 -27.462 1.00 0.00 H new ATOM 0 HA ASN A 46 65.776 53.668 -28.983 1.00 0.00 H new ATOM 0 HB2 ASN A 46 63.333 54.397 -28.905 1.00 0.00 H new ATOM 0 HB3 ASN A 46 63.616 55.264 -30.401 1.00 0.00 H new ATOM 0 HD21 ASN A 46 62.327 52.194 -31.782 1.00 0.00 H new ATOM 0 HD22 ASN A 46 61.897 53.828 -31.265 1.00 0.00 H new ATOM 427 N TYR A 47 67.689 55.008 -30.295 1.00 0.00 N ATOM 428 CA TYR A 47 68.798 55.101 -31.268 1.00 0.00 C ATOM 429 C TYR A 47 69.837 53.963 -31.118 1.00 0.00 C ATOM 430 O TYR A 47 71.022 54.141 -31.409 1.00 0.00 O ATOM 431 CB TYR A 47 69.420 56.510 -31.226 1.00 0.00 C ATOM 432 CG TYR A 47 68.451 57.646 -31.520 1.00 0.00 C ATOM 433 CD1 TYR A 47 67.805 57.715 -32.773 1.00 0.00 C ATOM 434 CD2 TYR A 47 68.201 58.635 -30.548 1.00 0.00 C ATOM 435 CE1 TYR A 47 66.888 58.750 -33.040 1.00 0.00 C ATOM 436 CE2 TYR A 47 67.285 59.673 -30.813 1.00 0.00 C ATOM 437 CZ TYR A 47 66.613 59.725 -32.054 1.00 0.00 C ATOM 438 OH TYR A 47 65.704 60.708 -32.312 1.00 0.00 O ATOM 0 H TYR A 47 67.999 55.139 -29.332 1.00 0.00 H new ATOM 0 HA TYR A 47 68.384 54.952 -32.265 1.00 0.00 H new ATOM 0 HB2 TYR A 47 69.856 56.670 -30.240 1.00 0.00 H new ATOM 0 HB3 TYR A 47 70.237 56.553 -31.947 1.00 0.00 H new ATOM 0 HD1 TYR A 47 68.014 56.972 -33.529 1.00 0.00 H new ATOM 0 HD2 TYR A 47 68.713 58.598 -29.598 1.00 0.00 H new ATOM 0 HE1 TYR A 47 66.394 58.799 -33.999 1.00 0.00 H new ATOM 0 HE2 TYR A 47 67.097 60.430 -30.066 1.00 0.00 H new ATOM 0 HH TYR A 47 65.325 61.033 -31.469 1.00 0.00 H new ATOM 448 N MET A 48 69.397 52.787 -30.649 1.00 0.00 N ATOM 449 CA MET A 48 70.216 51.584 -30.418 1.00 0.00 C ATOM 450 C MET A 48 69.603 50.320 -31.050 1.00 0.00 C ATOM 451 O MET A 48 68.385 50.228 -31.228 1.00 0.00 O ATOM 452 CB MET A 48 70.500 51.401 -28.912 1.00 0.00 C ATOM 453 CG MET A 48 69.272 51.119 -28.026 1.00 0.00 C ATOM 454 SD MET A 48 68.087 52.479 -27.774 1.00 0.00 S ATOM 455 CE MET A 48 69.087 53.635 -26.796 1.00 0.00 C ATOM 0 H MET A 48 68.417 52.640 -30.409 1.00 0.00 H new ATOM 0 HA MET A 48 71.169 51.736 -30.924 1.00 0.00 H new ATOM 0 HB2 MET A 48 71.207 50.580 -28.792 1.00 0.00 H new ATOM 0 HB3 MET A 48 70.992 52.301 -28.543 1.00 0.00 H new ATOM 0 HG2 MET A 48 68.731 50.277 -28.459 1.00 0.00 H new ATOM 0 HG3 MET A 48 69.630 50.799 -27.047 1.00 0.00 H new ATOM 0 HE1 MET A 48 68.458 54.452 -26.443 1.00 0.00 H new ATOM 0 HE2 MET A 48 69.516 53.112 -25.941 1.00 0.00 H new ATOM 0 HE3 MET A 48 69.889 54.036 -27.415 1.00 0.00 H new ATOM 465 N THR A 49 70.453 49.345 -31.390 1.00 0.00 N ATOM 466 CA THR A 49 70.101 48.144 -32.182 1.00 0.00 C ATOM 467 C THR A 49 70.739 46.850 -31.620 1.00 0.00 C ATOM 468 O THR A 49 71.591 46.235 -32.275 1.00 0.00 O ATOM 469 CB THR A 49 70.450 48.355 -33.675 1.00 0.00 C ATOM 470 OG1 THR A 49 71.760 48.879 -33.834 1.00 0.00 O ATOM 471 CG2 THR A 49 69.492 49.338 -34.354 1.00 0.00 C ATOM 0 H THR A 49 71.436 49.363 -31.117 1.00 0.00 H new ATOM 0 HA THR A 49 69.023 48.007 -32.100 1.00 0.00 H new ATOM 0 HB THR A 49 70.369 47.370 -34.136 1.00 0.00 H new ATOM 0 HG1 THR A 49 71.951 48.999 -34.788 1.00 0.00 H new ATOM 0 HG21 THR A 49 69.774 49.457 -35.400 1.00 0.00 H new ATOM 0 HG22 THR A 49 68.474 48.954 -34.294 1.00 0.00 H new ATOM 0 HG23 THR A 49 69.546 50.304 -33.852 1.00 0.00 H new ATOM 479 N PRO A 50 70.360 46.404 -30.401 1.00 0.00 N ATOM 480 CA PRO A 50 70.821 45.130 -29.836 1.00 0.00 C ATOM 481 C PRO A 50 70.348 43.906 -30.660 1.00 0.00 C ATOM 482 O PRO A 50 69.335 43.990 -31.365 1.00 0.00 O ATOM 483 CB PRO A 50 70.275 45.094 -28.405 1.00 0.00 C ATOM 484 CG PRO A 50 69.011 45.948 -28.490 1.00 0.00 C ATOM 485 CD PRO A 50 69.388 47.024 -29.507 1.00 0.00 C ATOM 0 HA PRO A 50 71.909 45.069 -29.855 1.00 0.00 H new ATOM 0 HB2 PRO A 50 70.052 44.076 -28.085 1.00 0.00 H new ATOM 0 HB3 PRO A 50 70.990 45.503 -27.691 1.00 0.00 H new ATOM 0 HG2 PRO A 50 68.152 45.364 -28.820 1.00 0.00 H new ATOM 0 HG3 PRO A 50 68.751 46.380 -27.524 1.00 0.00 H new ATOM 0 HD2 PRO A 50 68.512 47.365 -30.058 1.00 0.00 H new ATOM 0 HD3 PRO A 50 69.813 47.897 -29.013 1.00 0.00 H new ATOM 493 N PRO A 51 71.054 42.758 -30.579 1.00 0.00 N ATOM 494 CA PRO A 51 70.739 41.564 -31.366 1.00 0.00 C ATOM 495 C PRO A 51 69.486 40.835 -30.846 1.00 0.00 C ATOM 496 O PRO A 51 69.454 40.347 -29.713 1.00 0.00 O ATOM 497 CB PRO A 51 72.002 40.696 -31.296 1.00 0.00 C ATOM 498 CG PRO A 51 72.618 41.067 -29.947 1.00 0.00 C ATOM 499 CD PRO A 51 72.274 42.551 -29.809 1.00 0.00 C ATOM 0 HA PRO A 51 70.487 41.814 -32.397 1.00 0.00 H new ATOM 0 HB2 PRO A 51 71.762 39.634 -31.349 1.00 0.00 H new ATOM 0 HB3 PRO A 51 72.682 40.911 -32.120 1.00 0.00 H new ATOM 0 HG2 PRO A 51 72.195 40.477 -29.134 1.00 0.00 H new ATOM 0 HG3 PRO A 51 73.695 40.899 -29.935 1.00 0.00 H new ATOM 0 HD2 PRO A 51 72.125 42.821 -28.763 1.00 0.00 H new ATOM 0 HD3 PRO A 51 73.084 43.175 -30.187 1.00 0.00 H new ATOM 507 N GLU A 52 68.461 40.722 -31.698 1.00 0.00 N ATOM 508 CA GLU A 52 67.177 40.056 -31.414 1.00 0.00 C ATOM 509 C GLU A 52 66.698 39.214 -32.614 1.00 0.00 C ATOM 510 O GLU A 52 66.894 39.599 -33.770 1.00 0.00 O ATOM 511 CB GLU A 52 66.096 41.094 -31.054 1.00 0.00 C ATOM 512 CG GLU A 52 66.365 41.851 -29.746 1.00 0.00 C ATOM 513 CD GLU A 52 65.176 42.769 -29.403 1.00 0.00 C ATOM 514 OE1 GLU A 52 65.133 43.930 -29.880 1.00 0.00 O ATOM 515 OE2 GLU A 52 64.266 42.336 -28.652 1.00 0.00 O ATOM 0 H GLU A 52 68.501 41.106 -32.642 1.00 0.00 H new ATOM 0 HA GLU A 52 67.339 39.390 -30.566 1.00 0.00 H new ATOM 0 HB2 GLU A 52 66.014 41.814 -31.868 1.00 0.00 H new ATOM 0 HB3 GLU A 52 65.133 40.589 -30.977 1.00 0.00 H new ATOM 0 HG2 GLU A 52 66.531 41.142 -28.935 1.00 0.00 H new ATOM 0 HG3 GLU A 52 67.275 42.444 -29.842 1.00 0.00 H new ATOM 522 N GLN A 53 66.051 38.070 -32.338 1.00 0.00 N ATOM 523 CA GLN A 53 65.554 37.114 -33.353 1.00 0.00 C ATOM 524 C GLN A 53 64.084 36.684 -33.128 1.00 0.00 C ATOM 525 O GLN A 53 63.633 35.688 -33.695 1.00 0.00 O ATOM 526 CB GLN A 53 66.504 35.901 -33.424 1.00 0.00 C ATOM 527 CG GLN A 53 67.933 36.271 -33.865 1.00 0.00 C ATOM 528 CD GLN A 53 68.852 35.060 -34.060 1.00 0.00 C ATOM 529 OE1 GLN A 53 68.525 33.913 -33.777 1.00 0.00 O ATOM 530 NE2 GLN A 53 70.056 35.269 -34.551 1.00 0.00 N ATOM 0 H GLN A 53 65.852 37.773 -31.383 1.00 0.00 H new ATOM 0 HA GLN A 53 65.551 37.627 -34.315 1.00 0.00 H new ATOM 0 HB2 GLN A 53 66.546 35.423 -32.445 1.00 0.00 H new ATOM 0 HB3 GLN A 53 66.095 35.168 -34.119 1.00 0.00 H new ATOM 0 HG2 GLN A 53 67.882 36.831 -34.799 1.00 0.00 H new ATOM 0 HG3 GLN A 53 68.373 36.934 -33.120 1.00 0.00 H new ATOM 0 HE21 GLN A 53 70.351 36.215 -34.794 1.00 0.00 H new ATOM 0 HE22 GLN A 53 70.694 34.485 -34.688 1.00 0.00 H new ATOM 539 N GLU A 54 63.333 37.412 -32.286 1.00 0.00 N ATOM 540 CA GLU A 54 61.944 37.096 -31.878 1.00 0.00 C ATOM 541 C GLU A 54 61.776 35.683 -31.265 1.00 0.00 C ATOM 542 O GLU A 54 60.716 35.057 -31.370 1.00 0.00 O ATOM 543 CB GLU A 54 60.945 37.403 -33.015 1.00 0.00 C ATOM 544 CG GLU A 54 61.022 38.854 -33.512 1.00 0.00 C ATOM 545 CD GLU A 54 59.932 39.126 -34.566 1.00 0.00 C ATOM 546 OE1 GLU A 54 60.184 38.921 -35.780 1.00 0.00 O ATOM 547 OE2 GLU A 54 58.812 39.557 -34.193 1.00 0.00 O ATOM 0 H GLU A 54 63.683 38.267 -31.853 1.00 0.00 H new ATOM 0 HA GLU A 54 61.700 37.766 -31.053 1.00 0.00 H new ATOM 0 HB2 GLU A 54 61.136 36.729 -33.850 1.00 0.00 H new ATOM 0 HB3 GLU A 54 59.933 37.198 -32.666 1.00 0.00 H new ATOM 0 HG2 GLU A 54 60.902 39.538 -32.672 1.00 0.00 H new ATOM 0 HG3 GLU A 54 62.006 39.045 -33.941 1.00 0.00 H new ATOM 554 N ALA A 55 62.834 35.178 -30.614 1.00 0.00 N ATOM 555 CA ALA A 55 62.938 33.829 -30.050 1.00 0.00 C ATOM 556 C ALA A 55 63.431 33.885 -28.588 1.00 0.00 C ATOM 557 O ALA A 55 64.568 33.524 -28.272 1.00 0.00 O ATOM 558 CB ALA A 55 63.828 32.990 -30.983 1.00 0.00 C ATOM 0 H ALA A 55 63.680 35.727 -30.460 1.00 0.00 H new ATOM 0 HA ALA A 55 61.963 33.344 -29.998 1.00 0.00 H new ATOM 0 HB1 ALA A 55 63.922 31.980 -30.585 1.00 0.00 H new ATOM 0 HB2 ALA A 55 63.378 32.949 -31.975 1.00 0.00 H new ATOM 0 HB3 ALA A 55 64.816 33.446 -31.051 1.00 0.00 H new ATOM 564 N GLN A 56 62.570 34.392 -27.697 1.00 0.00 N ATOM 565 CA GLN A 56 62.842 34.576 -26.263 1.00 0.00 C ATOM 566 C GLN A 56 61.537 34.350 -25.467 1.00 0.00 C ATOM 567 O GLN A 56 60.890 35.313 -25.039 1.00 0.00 O ATOM 568 CB GLN A 56 63.478 35.966 -26.047 1.00 0.00 C ATOM 569 CG GLN A 56 64.007 36.158 -24.615 1.00 0.00 C ATOM 570 CD GLN A 56 64.684 37.517 -24.438 1.00 0.00 C ATOM 571 OE1 GLN A 56 64.108 38.471 -23.931 1.00 0.00 O ATOM 572 NE2 GLN A 56 65.928 37.667 -24.851 1.00 0.00 N ATOM 0 H GLN A 56 61.633 34.696 -27.962 1.00 0.00 H new ATOM 0 HA GLN A 56 63.560 33.845 -25.891 1.00 0.00 H new ATOM 0 HB2 GLN A 56 64.297 36.101 -26.754 1.00 0.00 H new ATOM 0 HB3 GLN A 56 62.739 36.737 -26.264 1.00 0.00 H new ATOM 0 HG2 GLN A 56 63.183 36.068 -23.908 1.00 0.00 H new ATOM 0 HG3 GLN A 56 64.717 35.365 -24.380 1.00 0.00 H new ATOM 0 HE21 GLN A 56 66.423 36.882 -25.276 1.00 0.00 H new ATOM 0 HE22 GLN A 56 66.395 38.568 -24.746 1.00 0.00 H new ATOM 581 N PRO A 57 61.088 33.085 -25.331 1.00 0.00 N ATOM 582 CA PRO A 57 59.788 32.736 -24.757 1.00 0.00 C ATOM 583 C PRO A 57 59.849 32.747 -23.216 1.00 0.00 C ATOM 584 O PRO A 57 59.895 31.708 -22.551 1.00 0.00 O ATOM 585 CB PRO A 57 59.457 31.389 -25.401 1.00 0.00 C ATOM 586 CG PRO A 57 60.822 30.710 -25.503 1.00 0.00 C ATOM 587 CD PRO A 57 61.742 31.882 -25.843 1.00 0.00 C ATOM 0 HA PRO A 57 58.990 33.448 -24.965 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.763 30.810 -24.791 1.00 0.00 H new ATOM 0 HB3 PRO A 57 58.994 31.513 -26.380 1.00 0.00 H new ATOM 0 HG2 PRO A 57 61.107 30.227 -24.568 1.00 0.00 H new ATOM 0 HG3 PRO A 57 60.838 29.942 -26.277 1.00 0.00 H new ATOM 0 HD2 PRO A 57 62.723 31.750 -25.387 1.00 0.00 H new ATOM 0 HD3 PRO A 57 61.898 31.953 -26.919 1.00 0.00 H new ATOM 595 N GLY A 58 59.895 33.959 -22.653 1.00 0.00 N ATOM 596 CA GLY A 58 60.292 34.239 -21.269 1.00 0.00 C ATOM 597 C GLY A 58 61.792 34.555 -21.146 1.00 0.00 C ATOM 598 O GLY A 58 62.608 34.102 -21.953 1.00 0.00 O ATOM 0 H GLY A 58 59.647 34.804 -23.168 1.00 0.00 H new ATOM 0 HA2 GLY A 58 59.713 35.081 -20.890 1.00 0.00 H new ATOM 0 HA3 GLY A 58 60.051 33.380 -20.643 1.00 0.00 H new ATOM 602 N ALA A 59 62.149 35.359 -20.138 1.00 0.00 N ATOM 603 CA ALA A 59 63.486 35.952 -19.964 1.00 0.00 C ATOM 604 C ALA A 59 64.127 35.658 -18.589 1.00 0.00 C ATOM 605 O ALA A 59 65.007 36.385 -18.124 1.00 0.00 O ATOM 606 CB ALA A 59 63.364 37.450 -20.246 1.00 0.00 C ATOM 0 H ALA A 59 61.499 35.625 -19.398 1.00 0.00 H new ATOM 0 HA ALA A 59 64.174 35.487 -20.670 1.00 0.00 H new ATOM 0 HB1 ALA A 59 64.339 37.923 -20.126 1.00 0.00 H new ATOM 0 HB2 ALA A 59 63.010 37.601 -21.266 1.00 0.00 H new ATOM 0 HB3 ALA A 59 62.656 37.895 -19.547 1.00 0.00 H new ATOM 612 N LEU A 60 63.666 34.598 -17.923 1.00 0.00 N ATOM 613 CA LEU A 60 64.196 34.112 -16.644 1.00 0.00 C ATOM 614 C LEU A 60 65.571 33.432 -16.827 1.00 0.00 C ATOM 615 O LEU A 60 65.888 32.905 -17.896 1.00 0.00 O ATOM 616 CB LEU A 60 63.187 33.148 -15.977 1.00 0.00 C ATOM 617 CG LEU A 60 61.914 33.747 -15.339 1.00 0.00 C ATOM 618 CD1 LEU A 60 62.236 34.761 -14.240 1.00 0.00 C ATOM 619 CD2 LEU A 60 60.961 34.403 -16.340 1.00 0.00 C ATOM 0 H LEU A 60 62.889 34.035 -18.268 1.00 0.00 H new ATOM 0 HA LEU A 60 64.341 34.971 -15.989 1.00 0.00 H new ATOM 0 HB2 LEU A 60 62.873 32.423 -16.728 1.00 0.00 H new ATOM 0 HB3 LEU A 60 63.718 32.594 -15.203 1.00 0.00 H new ATOM 0 HG LEU A 60 61.408 32.882 -14.910 1.00 0.00 H new ATOM 0 HD11 LEU A 60 61.308 35.153 -13.823 1.00 0.00 H new ATOM 0 HD12 LEU A 60 62.810 34.274 -13.452 1.00 0.00 H new ATOM 0 HD13 LEU A 60 62.819 35.580 -14.660 1.00 0.00 H new ATOM 0 HD21 LEU A 60 60.093 34.798 -15.811 1.00 0.00 H new ATOM 0 HD22 LEU A 60 61.475 35.216 -16.852 1.00 0.00 H new ATOM 0 HD23 LEU A 60 60.635 33.663 -17.070 1.00 0.00 H new ATOM 631 N ALA A 61 66.367 33.422 -15.755 1.00 0.00 N ATOM 632 CA ALA A 61 67.667 32.754 -15.670 1.00 0.00 C ATOM 633 C ALA A 61 67.929 32.131 -14.285 1.00 0.00 C ATOM 634 O ALA A 61 67.447 32.633 -13.265 1.00 0.00 O ATOM 635 CB ALA A 61 68.769 33.756 -16.032 1.00 0.00 C ATOM 0 H ALA A 61 66.113 33.898 -14.889 1.00 0.00 H new ATOM 0 HA ALA A 61 67.666 31.926 -16.379 1.00 0.00 H new ATOM 0 HB1 ALA A 61 69.741 33.266 -15.971 1.00 0.00 H new ATOM 0 HB2 ALA A 61 68.610 34.121 -17.047 1.00 0.00 H new ATOM 0 HB3 ALA A 61 68.741 34.595 -15.336 1.00 0.00 H new ATOM 641 N ALA A 62 68.727 31.062 -14.252 1.00 0.00 N ATOM 642 CA ALA A 62 69.203 30.408 -13.033 1.00 0.00 C ATOM 643 C ALA A 62 70.598 30.913 -12.609 1.00 0.00 C ATOM 644 O ALA A 62 71.422 31.299 -13.443 1.00 0.00 O ATOM 645 CB ALA A 62 69.169 28.887 -13.230 1.00 0.00 C ATOM 0 H ALA A 62 69.071 30.614 -15.101 1.00 0.00 H new ATOM 0 HA ALA A 62 68.537 30.668 -12.211 1.00 0.00 H new ATOM 0 HB1 ALA A 62 69.523 28.395 -12.324 1.00 0.00 H new ATOM 0 HB2 ALA A 62 68.147 28.570 -13.440 1.00 0.00 H new ATOM 0 HB3 ALA A 62 69.813 28.614 -14.066 1.00 0.00 H new ATOM 651 N LEU A 63 70.865 30.887 -11.296 1.00 0.00 N ATOM 652 CA LEU A 63 72.116 31.334 -10.668 1.00 0.00 C ATOM 653 C LEU A 63 72.672 30.279 -9.694 1.00 0.00 C ATOM 654 O LEU A 63 71.924 29.461 -9.150 1.00 0.00 O ATOM 655 CB LEU A 63 71.883 32.660 -9.913 1.00 0.00 C ATOM 656 CG LEU A 63 71.393 33.854 -10.754 1.00 0.00 C ATOM 657 CD1 LEU A 63 71.169 35.059 -9.839 1.00 0.00 C ATOM 658 CD2 LEU A 63 72.401 34.264 -11.825 1.00 0.00 C ATOM 0 H LEU A 63 70.189 30.540 -10.616 1.00 0.00 H new ATOM 0 HA LEU A 63 72.849 31.483 -11.461 1.00 0.00 H new ATOM 0 HB2 LEU A 63 71.155 32.479 -9.122 1.00 0.00 H new ATOM 0 HB3 LEU A 63 72.817 32.945 -9.428 1.00 0.00 H new ATOM 0 HG LEU A 63 70.471 33.542 -11.245 1.00 0.00 H new ATOM 0 HD11 LEU A 63 70.822 35.906 -10.431 1.00 0.00 H new ATOM 0 HD12 LEU A 63 70.420 34.811 -9.087 1.00 0.00 H new ATOM 0 HD13 LEU A 63 72.105 35.320 -9.346 1.00 0.00 H new ATOM 0 HD21 LEU A 63 72.008 35.109 -12.390 1.00 0.00 H new ATOM 0 HD22 LEU A 63 73.340 34.549 -11.351 1.00 0.00 H new ATOM 0 HD23 LEU A 63 72.576 33.426 -12.500 1.00 0.00 H new ATOM 670 N HIS A 64 73.978 30.340 -9.422 1.00 0.00 N ATOM 671 CA HIS A 64 74.629 29.592 -8.340 1.00 0.00 C ATOM 672 C HIS A 64 74.392 30.285 -6.990 1.00 0.00 C ATOM 673 O HIS A 64 74.434 31.513 -6.909 1.00 0.00 O ATOM 674 CB HIS A 64 76.130 29.472 -8.638 1.00 0.00 C ATOM 675 CG HIS A 64 76.466 28.541 -9.775 1.00 0.00 C ATOM 676 ND1 HIS A 64 76.438 27.145 -9.702 1.00 0.00 N ATOM 677 CD2 HIS A 64 76.919 28.918 -11.008 1.00 0.00 C ATOM 678 CE1 HIS A 64 76.881 26.709 -10.893 1.00 0.00 C ATOM 679 NE2 HIS A 64 77.179 27.749 -11.692 1.00 0.00 N ATOM 0 H HIS A 64 74.625 30.920 -9.956 1.00 0.00 H new ATOM 0 HA HIS A 64 74.199 28.592 -8.281 1.00 0.00 H new ATOM 0 HB2 HIS A 64 76.523 30.463 -8.867 1.00 0.00 H new ATOM 0 HB3 HIS A 64 76.640 29.127 -7.739 1.00 0.00 H new ATOM 0 HD2 HIS A 64 77.047 29.926 -11.373 1.00 0.00 H new ATOM 0 HE1 HIS A 64 76.983 25.670 -11.170 1.00 0.00 H new ATOM 0 HE2 HIS A 64 77.537 27.684 -12.645 1.00 0.00 H new ATOM 687 N ALA A 65 74.169 29.511 -5.923 1.00 0.00 N ATOM 688 CA ALA A 65 73.801 30.036 -4.599 1.00 0.00 C ATOM 689 C ALA A 65 74.969 30.115 -3.590 1.00 0.00 C ATOM 690 O ALA A 65 74.824 30.725 -2.528 1.00 0.00 O ATOM 691 CB ALA A 65 72.647 29.177 -4.066 1.00 0.00 C ATOM 0 H ALA A 65 74.239 28.494 -5.952 1.00 0.00 H new ATOM 0 HA ALA A 65 73.496 31.076 -4.719 1.00 0.00 H new ATOM 0 HB1 ALA A 65 72.348 29.539 -3.083 1.00 0.00 H new ATOM 0 HB2 ALA A 65 71.800 29.241 -4.749 1.00 0.00 H new ATOM 0 HB3 ALA A 65 72.972 28.140 -3.987 1.00 0.00 H new ATOM 697 N GLU A 66 76.118 29.499 -3.892 1.00 0.00 N ATOM 698 CA GLU A 66 77.262 29.356 -2.974 1.00 0.00 C ATOM 699 C GLU A 66 78.623 29.319 -3.699 1.00 0.00 C ATOM 700 O GLU A 66 78.692 29.176 -4.924 1.00 0.00 O ATOM 701 CB GLU A 66 77.060 28.104 -2.094 1.00 0.00 C ATOM 702 CG GLU A 66 77.045 26.779 -2.870 1.00 0.00 C ATOM 703 CD GLU A 66 76.834 25.590 -1.912 1.00 0.00 C ATOM 704 OE1 GLU A 66 77.834 25.048 -1.378 1.00 0.00 O ATOM 705 OE2 GLU A 66 75.668 25.182 -1.685 1.00 0.00 O ATOM 0 H GLU A 66 76.286 29.074 -4.804 1.00 0.00 H new ATOM 0 HA GLU A 66 77.292 30.245 -2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 66 77.855 28.066 -1.349 1.00 0.00 H new ATOM 0 HB3 GLU A 66 76.120 28.204 -1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 66 76.250 26.797 -3.616 1.00 0.00 H new ATOM 0 HG3 GLU A 66 77.985 26.656 -3.409 1.00 0.00 H new ATOM 712 N GLY A 67 79.716 29.444 -2.935 1.00 0.00 N ATOM 713 CA GLY A 67 81.092 29.425 -3.453 1.00 0.00 C ATOM 714 C GLY A 67 81.480 30.686 -4.248 1.00 0.00 C ATOM 715 O GLY A 67 80.786 31.707 -4.174 1.00 0.00 O ATOM 0 H GLY A 67 79.669 29.563 -1.923 1.00 0.00 H new ATOM 0 HA2 GLY A 67 81.782 29.308 -2.617 1.00 0.00 H new ATOM 0 HA3 GLY A 67 81.216 28.552 -4.093 1.00 0.00 H new ATOM 719 N PRO A 68 82.572 30.640 -5.040 1.00 0.00 N ATOM 720 CA PRO A 68 83.063 31.795 -5.803 1.00 0.00 C ATOM 721 C PRO A 68 82.120 32.231 -6.942 1.00 0.00 C ATOM 722 O PRO A 68 82.230 33.356 -7.432 1.00 0.00 O ATOM 723 CB PRO A 68 84.439 31.368 -6.328 1.00 0.00 C ATOM 724 CG PRO A 68 84.324 29.849 -6.441 1.00 0.00 C ATOM 725 CD PRO A 68 83.446 29.490 -5.244 1.00 0.00 C ATOM 0 HA PRO A 68 83.118 32.679 -5.168 1.00 0.00 H new ATOM 0 HB2 PRO A 68 84.660 31.826 -7.292 1.00 0.00 H new ATOM 0 HB3 PRO A 68 85.237 31.660 -5.645 1.00 0.00 H new ATOM 0 HG2 PRO A 68 83.868 29.546 -7.383 1.00 0.00 H new ATOM 0 HG3 PRO A 68 85.299 29.364 -6.388 1.00 0.00 H new ATOM 0 HD2 PRO A 68 82.867 28.587 -5.439 1.00 0.00 H new ATOM 0 HD3 PRO A 68 84.051 29.295 -4.358 1.00 0.00 H new ATOM 733 N LEU A 69 81.175 31.367 -7.344 1.00 0.00 N ATOM 734 CA LEU A 69 80.149 31.660 -8.353 1.00 0.00 C ATOM 735 C LEU A 69 78.827 32.189 -7.763 1.00 0.00 C ATOM 736 O LEU A 69 77.880 32.376 -8.518 1.00 0.00 O ATOM 737 CB LEU A 69 79.911 30.418 -9.237 1.00 0.00 C ATOM 738 CG LEU A 69 81.119 29.944 -10.064 1.00 0.00 C ATOM 739 CD1 LEU A 69 80.752 28.640 -10.767 1.00 0.00 C ATOM 740 CD2 LEU A 69 81.567 30.959 -11.116 1.00 0.00 C ATOM 0 H LEU A 69 81.103 30.422 -6.966 1.00 0.00 H new ATOM 0 HA LEU A 69 80.535 32.475 -8.965 1.00 0.00 H new ATOM 0 HB2 LEU A 69 79.587 29.597 -8.598 1.00 0.00 H new ATOM 0 HB3 LEU A 69 79.089 30.633 -9.920 1.00 0.00 H new ATOM 0 HG LEU A 69 81.950 29.811 -9.371 1.00 0.00 H new ATOM 0 HD11 LEU A 69 81.600 28.293 -11.357 1.00 0.00 H new ATOM 0 HD12 LEU A 69 80.495 27.886 -10.023 1.00 0.00 H new ATOM 0 HD13 LEU A 69 79.898 28.808 -11.423 1.00 0.00 H new ATOM 0 HD21 LEU A 69 82.422 30.562 -11.663 1.00 0.00 H new ATOM 0 HD22 LEU A 69 80.748 31.149 -11.810 1.00 0.00 H new ATOM 0 HD23 LEU A 69 81.850 31.890 -10.626 1.00 0.00 H new ATOM 752 N ALA A 70 78.710 32.436 -6.454 1.00 0.00 N ATOM 753 CA ALA A 70 77.453 32.891 -5.856 1.00 0.00 C ATOM 754 C ALA A 70 76.922 34.177 -6.531 1.00 0.00 C ATOM 755 O ALA A 70 77.605 35.203 -6.598 1.00 0.00 O ATOM 756 CB ALA A 70 77.645 33.075 -4.347 1.00 0.00 C ATOM 0 H ALA A 70 79.474 32.328 -5.787 1.00 0.00 H new ATOM 0 HA ALA A 70 76.692 32.129 -6.022 1.00 0.00 H new ATOM 0 HB1 ALA A 70 76.710 33.414 -3.900 1.00 0.00 H new ATOM 0 HB2 ALA A 70 77.938 32.126 -3.899 1.00 0.00 H new ATOM 0 HB3 ALA A 70 78.423 33.817 -4.167 1.00 0.00 H new ATOM 762 N GLY A 71 75.693 34.094 -7.047 1.00 0.00 N ATOM 763 CA GLY A 71 75.027 35.142 -7.831 1.00 0.00 C ATOM 764 C GLY A 71 75.384 35.174 -9.330 1.00 0.00 C ATOM 765 O GLY A 71 74.937 36.082 -10.030 1.00 0.00 O ATOM 0 H GLY A 71 75.111 33.265 -6.927 1.00 0.00 H new ATOM 0 HA2 GLY A 71 73.949 35.015 -7.734 1.00 0.00 H new ATOM 0 HA3 GLY A 71 75.274 36.110 -7.395 1.00 0.00 H new ATOM 769 N LEU A 72 76.171 34.211 -9.829 1.00 0.00 N ATOM 770 CA LEU A 72 76.614 34.086 -11.231 1.00 0.00 C ATOM 771 C LEU A 72 75.839 32.957 -11.969 1.00 0.00 C ATOM 772 O LEU A 72 75.249 32.099 -11.311 1.00 0.00 O ATOM 773 CB LEU A 72 78.154 33.918 -11.266 1.00 0.00 C ATOM 774 CG LEU A 72 78.979 34.968 -10.484 1.00 0.00 C ATOM 775 CD1 LEU A 72 80.458 34.830 -10.850 1.00 0.00 C ATOM 776 CD2 LEU A 72 78.592 36.421 -10.770 1.00 0.00 C ATOM 0 H LEU A 72 76.535 33.461 -9.241 1.00 0.00 H new ATOM 0 HA LEU A 72 76.377 34.996 -11.781 1.00 0.00 H new ATOM 0 HB2 LEU A 72 78.399 32.931 -10.874 1.00 0.00 H new ATOM 0 HB3 LEU A 72 78.476 33.937 -12.307 1.00 0.00 H new ATOM 0 HG LEU A 72 78.775 34.764 -9.433 1.00 0.00 H new ATOM 0 HD11 LEU A 72 81.040 35.569 -10.299 1.00 0.00 H new ATOM 0 HD12 LEU A 72 80.805 33.830 -10.591 1.00 0.00 H new ATOM 0 HD13 LEU A 72 80.585 34.993 -11.920 1.00 0.00 H new ATOM 0 HD21 LEU A 72 79.220 37.088 -10.180 1.00 0.00 H new ATOM 0 HD22 LEU A 72 78.733 36.633 -11.830 1.00 0.00 H new ATOM 0 HD23 LEU A 72 77.547 36.578 -10.504 1.00 0.00 H new ATOM 788 N PRO A 73 75.777 32.955 -13.319 1.00 0.00 N ATOM 789 CA PRO A 73 74.837 32.150 -14.107 1.00 0.00 C ATOM 790 C PRO A 73 75.257 30.683 -14.262 1.00 0.00 C ATOM 791 O PRO A 73 76.432 30.347 -14.134 1.00 0.00 O ATOM 792 CB PRO A 73 74.765 32.855 -15.464 1.00 0.00 C ATOM 793 CG PRO A 73 76.162 33.434 -15.631 1.00 0.00 C ATOM 794 CD PRO A 73 76.568 33.790 -14.208 1.00 0.00 C ATOM 0 HA PRO A 73 73.871 32.091 -13.605 1.00 0.00 H new ATOM 0 HB2 PRO A 73 74.519 32.159 -16.266 1.00 0.00 H new ATOM 0 HB3 PRO A 73 74.003 33.634 -15.473 1.00 0.00 H new ATOM 0 HG2 PRO A 73 76.846 32.711 -16.075 1.00 0.00 H new ATOM 0 HG3 PRO A 73 76.159 34.310 -16.279 1.00 0.00 H new ATOM 0 HD2 PRO A 73 77.633 33.615 -14.056 1.00 0.00 H new ATOM 0 HD3 PRO A 73 76.387 34.846 -14.008 1.00 0.00 H new ATOM 802 N VAL A 74 74.308 29.802 -14.593 1.00 0.00 N ATOM 803 CA VAL A 74 74.555 28.349 -14.690 1.00 0.00 C ATOM 804 C VAL A 74 74.698 27.849 -16.139 1.00 0.00 C ATOM 805 O VAL A 74 75.500 26.946 -16.378 1.00 0.00 O ATOM 806 CB VAL A 74 73.485 27.560 -13.911 1.00 0.00 C ATOM 807 CG1 VAL A 74 73.831 26.069 -13.801 1.00 0.00 C ATOM 808 CG2 VAL A 74 73.305 28.083 -12.476 1.00 0.00 C ATOM 0 H VAL A 74 73.346 30.069 -14.802 1.00 0.00 H new ATOM 0 HA VAL A 74 75.523 28.164 -14.224 1.00 0.00 H new ATOM 0 HB VAL A 74 72.567 27.697 -14.482 1.00 0.00 H new ATOM 0 HG11 VAL A 74 73.048 25.554 -13.244 1.00 0.00 H new ATOM 0 HG12 VAL A 74 73.909 25.639 -14.800 1.00 0.00 H new ATOM 0 HG13 VAL A 74 74.782 25.954 -13.281 1.00 0.00 H new ATOM 0 HG21 VAL A 74 72.541 27.495 -11.968 1.00 0.00 H new ATOM 0 HG22 VAL A 74 74.248 27.996 -11.936 1.00 0.00 H new ATOM 0 HG23 VAL A 74 72.999 29.129 -12.506 1.00 0.00 H new ATOM 818 N THR A 75 73.991 28.440 -17.114 1.00 0.00 N ATOM 819 CA THR A 75 74.038 28.050 -18.548 1.00 0.00 C ATOM 820 C THR A 75 74.420 29.189 -19.499 1.00 0.00 C ATOM 821 O THR A 75 74.499 30.351 -19.105 1.00 0.00 O ATOM 822 CB THR A 75 72.713 27.421 -19.011 1.00 0.00 C ATOM 823 OG1 THR A 75 71.725 28.423 -19.135 1.00 0.00 O ATOM 824 CG2 THR A 75 72.251 26.321 -18.062 1.00 0.00 C ATOM 0 H THR A 75 73.356 29.218 -16.934 1.00 0.00 H new ATOM 0 HA THR A 75 74.836 27.310 -18.601 1.00 0.00 H new ATOM 0 HB THR A 75 72.877 26.959 -19.984 1.00 0.00 H new ATOM 0 HG1 THR A 75 70.883 28.018 -19.432 1.00 0.00 H new ATOM 0 HG21 THR A 75 71.312 25.901 -18.422 1.00 0.00 H new ATOM 0 HG22 THR A 75 73.007 25.537 -18.019 1.00 0.00 H new ATOM 0 HG23 THR A 75 72.103 26.738 -17.066 1.00 0.00 H new ATOM 832 N ARG A 76 74.656 28.867 -20.780 1.00 0.00 N ATOM 833 CA ARG A 76 74.981 29.847 -21.842 1.00 0.00 C ATOM 834 C ARG A 76 73.825 30.839 -22.040 1.00 0.00 C ATOM 835 O ARG A 76 74.042 32.046 -22.128 1.00 0.00 O ATOM 836 CB ARG A 76 75.299 29.046 -23.122 1.00 0.00 C ATOM 837 CG ARG A 76 76.077 29.796 -24.219 1.00 0.00 C ATOM 838 CD ARG A 76 76.096 28.889 -25.461 1.00 0.00 C ATOM 839 NE ARG A 76 77.099 29.270 -26.475 1.00 0.00 N ATOM 840 CZ ARG A 76 77.186 28.747 -27.686 1.00 0.00 C ATOM 841 NH1 ARG A 76 76.254 27.987 -28.197 1.00 0.00 N ATOM 842 NH2 ARG A 76 78.237 28.961 -28.414 1.00 0.00 N ATOM 0 H ARG A 76 74.627 27.905 -21.118 1.00 0.00 H new ATOM 0 HA ARG A 76 75.846 30.451 -21.569 1.00 0.00 H new ATOM 0 HB2 ARG A 76 75.871 28.162 -22.840 1.00 0.00 H new ATOM 0 HB3 ARG A 76 74.359 28.694 -23.548 1.00 0.00 H new ATOM 0 HG2 ARG A 76 75.600 30.750 -24.446 1.00 0.00 H new ATOM 0 HG3 ARG A 76 77.092 30.018 -23.888 1.00 0.00 H new ATOM 0 HD2 ARG A 76 76.287 27.864 -25.145 1.00 0.00 H new ATOM 0 HD3 ARG A 76 75.108 28.902 -25.921 1.00 0.00 H new ATOM 0 HE ARG A 76 77.775 29.991 -26.222 1.00 0.00 H new ATOM 0 HH11 ARG A 76 75.415 27.775 -27.656 1.00 0.00 H new ATOM 0 HH12 ARG A 76 76.365 27.606 -29.136 1.00 0.00 H new ATOM 0 HH21 ARG A 76 79.000 29.534 -28.053 1.00 0.00 H new ATOM 0 HH22 ARG A 76 78.301 28.556 -29.348 1.00 0.00 H new ATOM 856 N SER A 77 72.594 30.323 -21.986 1.00 0.00 N ATOM 857 CA SER A 77 71.357 31.113 -21.974 1.00 0.00 C ATOM 858 C SER A 77 71.262 31.990 -20.723 1.00 0.00 C ATOM 859 O SER A 77 70.980 33.181 -20.849 1.00 0.00 O ATOM 860 CB SER A 77 70.131 30.194 -22.058 1.00 0.00 C ATOM 861 OG SER A 77 70.215 29.366 -23.211 1.00 0.00 O ATOM 0 H SER A 77 72.424 29.318 -21.948 1.00 0.00 H new ATOM 0 HA SER A 77 71.378 31.766 -22.847 1.00 0.00 H new ATOM 0 HB2 SER A 77 70.068 29.577 -21.162 1.00 0.00 H new ATOM 0 HB3 SER A 77 69.221 30.793 -22.097 1.00 0.00 H new ATOM 0 HG SER A 77 69.428 28.783 -23.253 1.00 0.00 H new ATOM 867 N ASP A 78 71.576 31.460 -19.532 1.00 0.00 N ATOM 868 CA ASP A 78 71.612 32.276 -18.310 1.00 0.00 C ATOM 869 C ASP A 78 72.639 33.410 -18.436 1.00 0.00 C ATOM 870 O ASP A 78 72.314 34.562 -18.162 1.00 0.00 O ATOM 871 CB ASP A 78 71.956 31.444 -17.070 1.00 0.00 C ATOM 872 CG ASP A 78 70.954 30.347 -16.692 1.00 0.00 C ATOM 873 OD1 ASP A 78 69.730 30.513 -16.905 1.00 0.00 O ATOM 874 OD2 ASP A 78 71.418 29.349 -16.096 1.00 0.00 O ATOM 0 H ASP A 78 71.807 30.477 -19.389 1.00 0.00 H new ATOM 0 HA ASP A 78 70.611 32.690 -18.190 1.00 0.00 H new ATOM 0 HB2 ASP A 78 72.929 30.979 -17.228 1.00 0.00 H new ATOM 0 HB3 ASP A 78 72.060 32.120 -16.222 1.00 0.00 H new ATOM 879 N ALA A 79 73.860 33.122 -18.902 1.00 0.00 N ATOM 880 CA ALA A 79 74.909 34.125 -19.066 1.00 0.00 C ATOM 881 C ALA A 79 74.521 35.228 -20.069 1.00 0.00 C ATOM 882 O ALA A 79 74.744 36.405 -19.782 1.00 0.00 O ATOM 883 CB ALA A 79 76.221 33.406 -19.419 1.00 0.00 C ATOM 0 H ALA A 79 74.145 32.182 -19.176 1.00 0.00 H new ATOM 0 HA ALA A 79 75.051 34.661 -18.127 1.00 0.00 H new ATOM 0 HB1 ALA A 79 77.016 34.141 -19.545 1.00 0.00 H new ATOM 0 HB2 ALA A 79 76.487 32.718 -18.616 1.00 0.00 H new ATOM 0 HB3 ALA A 79 76.092 32.848 -20.346 1.00 0.00 H new ATOM 889 N ARG A 80 73.855 34.894 -21.186 1.00 0.00 N ATOM 890 CA ARG A 80 73.309 35.900 -22.121 1.00 0.00 C ATOM 891 C ARG A 80 72.207 36.755 -21.480 1.00 0.00 C ATOM 892 O ARG A 80 72.242 37.975 -21.620 1.00 0.00 O ATOM 893 CB ARG A 80 72.851 35.213 -23.423 1.00 0.00 C ATOM 894 CG ARG A 80 72.427 36.240 -24.489 1.00 0.00 C ATOM 895 CD ARG A 80 72.101 35.573 -25.830 1.00 0.00 C ATOM 896 NE ARG A 80 71.620 36.568 -26.815 1.00 0.00 N ATOM 897 CZ ARG A 80 71.343 36.351 -28.092 1.00 0.00 C ATOM 898 NH1 ARG A 80 71.495 35.178 -28.639 1.00 0.00 N ATOM 899 NH2 ARG A 80 70.898 37.314 -28.847 1.00 0.00 N ATOM 0 H ARG A 80 73.679 33.930 -21.468 1.00 0.00 H new ATOM 0 HA ARG A 80 74.104 36.601 -22.374 1.00 0.00 H new ATOM 0 HB2 ARG A 80 73.660 34.596 -23.813 1.00 0.00 H new ATOM 0 HB3 ARG A 80 72.017 34.545 -23.208 1.00 0.00 H new ATOM 0 HG2 ARG A 80 71.555 36.790 -24.136 1.00 0.00 H new ATOM 0 HG3 ARG A 80 73.227 36.967 -24.630 1.00 0.00 H new ATOM 0 HD2 ARG A 80 72.989 35.073 -26.217 1.00 0.00 H new ATOM 0 HD3 ARG A 80 71.342 34.805 -25.683 1.00 0.00 H new ATOM 0 HE ARG A 80 71.488 37.520 -26.475 1.00 0.00 H new ATOM 0 HH11 ARG A 80 71.836 34.395 -28.081 1.00 0.00 H new ATOM 0 HH12 ARG A 80 71.273 35.043 -29.625 1.00 0.00 H new ATOM 0 HH21 ARG A 80 70.760 38.246 -28.456 1.00 0.00 H new ATOM 0 HH22 ARG A 80 70.688 37.136 -29.829 1.00 0.00 H new ATOM 913 N VAL A 81 71.275 36.151 -20.732 1.00 0.00 N ATOM 914 CA VAL A 81 70.225 36.884 -19.989 1.00 0.00 C ATOM 915 C VAL A 81 70.836 37.831 -18.962 1.00 0.00 C ATOM 916 O VAL A 81 70.479 39.005 -18.929 1.00 0.00 O ATOM 917 CB VAL A 81 69.249 35.922 -19.282 1.00 0.00 C ATOM 918 CG1 VAL A 81 68.301 36.633 -18.307 1.00 0.00 C ATOM 919 CG2 VAL A 81 68.374 35.199 -20.304 1.00 0.00 C ATOM 0 H VAL A 81 71.222 35.139 -20.620 1.00 0.00 H new ATOM 0 HA VAL A 81 69.668 37.465 -20.724 1.00 0.00 H new ATOM 0 HB VAL A 81 69.879 35.228 -18.726 1.00 0.00 H new ATOM 0 HG11 VAL A 81 67.640 35.901 -17.843 1.00 0.00 H new ATOM 0 HG12 VAL A 81 68.883 37.137 -17.536 1.00 0.00 H new ATOM 0 HG13 VAL A 81 67.705 37.367 -18.849 1.00 0.00 H new ATOM 0 HG21 VAL A 81 67.692 34.525 -19.787 1.00 0.00 H new ATOM 0 HG22 VAL A 81 67.800 35.930 -20.873 1.00 0.00 H new ATOM 0 HG23 VAL A 81 69.005 34.626 -20.983 1.00 0.00 H new ATOM 929 N LEU A 82 71.771 37.346 -18.142 1.00 0.00 N ATOM 930 CA LEU A 82 72.429 38.159 -17.119 1.00 0.00 C ATOM 931 C LEU A 82 73.231 39.321 -17.729 1.00 0.00 C ATOM 932 O LEU A 82 73.085 40.443 -17.249 1.00 0.00 O ATOM 933 CB LEU A 82 73.285 37.273 -16.188 1.00 0.00 C ATOM 934 CG LEU A 82 72.562 36.677 -14.960 1.00 0.00 C ATOM 935 CD1 LEU A 82 71.924 37.756 -14.084 1.00 0.00 C ATOM 936 CD2 LEU A 82 71.467 35.666 -15.291 1.00 0.00 C ATOM 0 H LEU A 82 72.093 36.378 -18.169 1.00 0.00 H new ATOM 0 HA LEU A 82 71.654 38.622 -16.509 1.00 0.00 H new ATOM 0 HB2 LEU A 82 73.694 36.452 -16.777 1.00 0.00 H new ATOM 0 HB3 LEU A 82 74.130 37.864 -15.835 1.00 0.00 H new ATOM 0 HG LEU A 82 73.364 36.161 -14.432 1.00 0.00 H new ATOM 0 HD11 LEU A 82 71.428 37.288 -13.234 1.00 0.00 H new ATOM 0 HD12 LEU A 82 72.696 38.436 -13.724 1.00 0.00 H new ATOM 0 HD13 LEU A 82 71.193 38.314 -14.669 1.00 0.00 H new ATOM 0 HD21 LEU A 82 71.016 35.302 -14.368 1.00 0.00 H new ATOM 0 HD22 LEU A 82 70.703 36.145 -15.904 1.00 0.00 H new ATOM 0 HD23 LEU A 82 71.899 34.828 -15.838 1.00 0.00 H new ATOM 948 N ILE A 83 73.980 39.103 -18.821 1.00 0.00 N ATOM 949 CA ILE A 83 74.613 40.197 -19.589 1.00 0.00 C ATOM 950 C ILE A 83 73.559 41.216 -20.039 1.00 0.00 C ATOM 951 O ILE A 83 73.717 42.410 -19.787 1.00 0.00 O ATOM 952 CB ILE A 83 75.419 39.644 -20.793 1.00 0.00 C ATOM 953 CG1 ILE A 83 76.724 38.998 -20.267 1.00 0.00 C ATOM 954 CG2 ILE A 83 75.735 40.736 -21.844 1.00 0.00 C ATOM 955 CD1 ILE A 83 77.448 38.118 -21.295 1.00 0.00 C ATOM 0 H ILE A 83 74.165 38.173 -19.198 1.00 0.00 H new ATOM 0 HA ILE A 83 75.320 40.709 -18.936 1.00 0.00 H new ATOM 0 HB ILE A 83 74.808 38.897 -21.300 1.00 0.00 H new ATOM 0 HG12 ILE A 83 77.401 39.787 -19.940 1.00 0.00 H new ATOM 0 HG13 ILE A 83 76.490 38.395 -19.390 1.00 0.00 H new ATOM 0 HG21 ILE A 83 76.300 40.297 -22.666 1.00 0.00 H new ATOM 0 HG22 ILE A 83 74.804 41.153 -22.226 1.00 0.00 H new ATOM 0 HG23 ILE A 83 76.324 41.528 -21.381 1.00 0.00 H new ATOM 0 HD11 ILE A 83 78.351 37.704 -20.847 1.00 0.00 H new ATOM 0 HD12 ILE A 83 76.791 37.305 -21.605 1.00 0.00 H new ATOM 0 HD13 ILE A 83 77.716 38.719 -22.164 1.00 0.00 H new ATOM 967 N PHE A 84 72.476 40.756 -20.676 1.00 0.00 N ATOM 968 CA PHE A 84 71.448 41.634 -21.228 1.00 0.00 C ATOM 969 C PHE A 84 70.716 42.451 -20.158 1.00 0.00 C ATOM 970 O PHE A 84 70.597 43.662 -20.311 1.00 0.00 O ATOM 971 CB PHE A 84 70.454 40.808 -22.054 1.00 0.00 C ATOM 972 CG PHE A 84 69.531 41.636 -22.932 1.00 0.00 C ATOM 973 CD1 PHE A 84 70.077 42.533 -23.869 1.00 0.00 C ATOM 974 CD2 PHE A 84 68.134 41.472 -22.863 1.00 0.00 C ATOM 975 CE1 PHE A 84 69.250 43.204 -24.780 1.00 0.00 C ATOM 976 CE2 PHE A 84 67.298 42.180 -23.750 1.00 0.00 C ATOM 977 CZ PHE A 84 67.856 43.036 -24.717 1.00 0.00 C ATOM 0 H PHE A 84 72.291 39.763 -20.821 1.00 0.00 H new ATOM 0 HA PHE A 84 71.951 42.358 -21.869 1.00 0.00 H new ATOM 0 HB2 PHE A 84 71.011 40.115 -22.685 1.00 0.00 H new ATOM 0 HB3 PHE A 84 69.848 40.206 -21.376 1.00 0.00 H new ATOM 0 HD1 PHE A 84 71.143 42.706 -23.886 1.00 0.00 H new ATOM 0 HD2 PHE A 84 67.704 40.804 -22.131 1.00 0.00 H new ATOM 0 HE1 PHE A 84 69.683 43.849 -25.530 1.00 0.00 H new ATOM 0 HE2 PHE A 84 66.226 42.065 -23.687 1.00 0.00 H new ATOM 0 HZ PHE A 84 67.215 43.562 -25.409 1.00 0.00 H new ATOM 987 N ASN A 85 70.266 41.828 -19.065 1.00 0.00 N ATOM 988 CA ASN A 85 69.545 42.521 -17.998 1.00 0.00 C ATOM 989 C ASN A 85 70.454 43.486 -17.214 1.00 0.00 C ATOM 990 O ASN A 85 70.057 44.625 -16.953 1.00 0.00 O ATOM 991 CB ASN A 85 68.875 41.493 -17.071 1.00 0.00 C ATOM 992 CG ASN A 85 68.082 42.213 -15.989 1.00 0.00 C ATOM 993 OD1 ASN A 85 66.945 42.616 -16.190 1.00 0.00 O ATOM 994 ND2 ASN A 85 68.671 42.453 -14.839 1.00 0.00 N ATOM 0 H ASN A 85 70.392 40.830 -18.897 1.00 0.00 H new ATOM 0 HA ASN A 85 68.771 43.138 -18.455 1.00 0.00 H new ATOM 0 HB2 ASN A 85 68.215 40.845 -17.648 1.00 0.00 H new ATOM 0 HB3 ASN A 85 69.631 40.853 -16.616 1.00 0.00 H new ATOM 0 HD21 ASN A 85 68.180 42.976 -14.114 1.00 0.00 H new ATOM 0 HD22 ASN A 85 69.619 42.117 -14.672 1.00 0.00 H new ATOM 1001 N GLU A 86 71.675 43.051 -16.866 1.00 0.00 N ATOM 1002 CA GLU A 86 72.673 43.917 -16.227 1.00 0.00 C ATOM 1003 C GLU A 86 72.932 45.149 -17.096 1.00 0.00 C ATOM 1004 O GLU A 86 72.773 46.273 -16.620 1.00 0.00 O ATOM 1005 CB GLU A 86 73.980 43.141 -16.001 1.00 0.00 C ATOM 1006 CG GLU A 86 75.073 43.968 -15.313 1.00 0.00 C ATOM 1007 CD GLU A 86 76.418 43.232 -15.412 1.00 0.00 C ATOM 1008 OE1 GLU A 86 76.636 42.223 -14.702 1.00 0.00 O ATOM 1009 OE2 GLU A 86 77.275 43.607 -16.246 1.00 0.00 O ATOM 0 H GLU A 86 71.995 42.095 -17.019 1.00 0.00 H new ATOM 0 HA GLU A 86 72.289 44.244 -15.260 1.00 0.00 H new ATOM 0 HB2 GLU A 86 73.769 42.259 -15.397 1.00 0.00 H new ATOM 0 HB3 GLU A 86 74.354 42.788 -16.962 1.00 0.00 H new ATOM 0 HG2 GLU A 86 75.149 44.949 -15.781 1.00 0.00 H new ATOM 0 HG3 GLU A 86 74.814 44.133 -14.267 1.00 0.00 H new ATOM 1016 N TRP A 87 73.266 44.949 -18.376 1.00 0.00 N ATOM 1017 CA TRP A 87 73.474 46.053 -19.297 1.00 0.00 C ATOM 1018 C TRP A 87 72.225 46.923 -19.431 1.00 0.00 C ATOM 1019 O TRP A 87 72.363 48.126 -19.301 1.00 0.00 O ATOM 1020 CB TRP A 87 73.923 45.527 -20.653 1.00 0.00 C ATOM 1021 CG TRP A 87 73.928 46.551 -21.742 1.00 0.00 C ATOM 1022 CD1 TRP A 87 74.859 47.507 -21.960 1.00 0.00 C ATOM 1023 CD2 TRP A 87 72.959 46.684 -22.817 1.00 0.00 C ATOM 1024 NE1 TRP A 87 74.528 48.218 -23.099 1.00 0.00 N ATOM 1025 CE2 TRP A 87 73.388 47.722 -23.692 1.00 0.00 C ATOM 1026 CE3 TRP A 87 71.813 45.958 -23.191 1.00 0.00 C ATOM 1027 CZ2 TRP A 87 72.760 47.976 -24.920 1.00 0.00 C ATOM 1028 CZ3 TRP A 87 71.157 46.233 -24.399 1.00 0.00 C ATOM 1029 CH2 TRP A 87 71.622 47.234 -25.268 1.00 0.00 C ATOM 0 H TRP A 87 73.396 44.026 -18.791 1.00 0.00 H new ATOM 0 HA TRP A 87 74.261 46.687 -18.889 1.00 0.00 H new ATOM 0 HB2 TRP A 87 74.927 45.114 -20.555 1.00 0.00 H new ATOM 0 HB3 TRP A 87 73.268 44.706 -20.946 1.00 0.00 H new ATOM 0 HD1 TRP A 87 75.726 47.687 -21.341 1.00 0.00 H new ATOM 0 HE1 TRP A 87 75.062 49.011 -23.456 1.00 0.00 H new ATOM 0 HE3 TRP A 87 71.435 45.182 -22.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 73.147 48.732 -25.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 70.278 45.665 -24.666 1.00 0.00 H new ATOM 0 HH2 TRP A 87 71.107 47.431 -26.197 1.00 0.00 H new ATOM 1040 N GLU A 88 71.024 46.374 -19.615 1.00 0.00 N ATOM 1041 CA GLU A 88 69.786 47.154 -19.745 1.00 0.00 C ATOM 1042 C GLU A 88 69.532 48.097 -18.554 1.00 0.00 C ATOM 1043 O GLU A 88 69.276 49.284 -18.763 1.00 0.00 O ATOM 1044 CB GLU A 88 68.583 46.210 -19.923 1.00 0.00 C ATOM 1045 CG GLU A 88 68.341 45.775 -21.372 1.00 0.00 C ATOM 1046 CD GLU A 88 67.527 46.839 -22.139 1.00 0.00 C ATOM 1047 OE1 GLU A 88 68.097 47.869 -22.574 1.00 0.00 O ATOM 1048 OE2 GLU A 88 66.292 46.662 -22.295 1.00 0.00 O ATOM 0 H GLU A 88 70.878 45.366 -19.679 1.00 0.00 H new ATOM 0 HA GLU A 88 69.908 47.783 -20.627 1.00 0.00 H new ATOM 0 HB2 GLU A 88 68.737 45.323 -19.309 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.687 46.705 -19.549 1.00 0.00 H new ATOM 0 HG2 GLU A 88 69.296 45.613 -21.871 1.00 0.00 H new ATOM 0 HG3 GLU A 88 67.808 44.824 -21.386 1.00 0.00 H new ATOM 1055 N GLU A 89 69.632 47.616 -17.307 1.00 0.00 N ATOM 1056 CA GLU A 89 69.417 48.468 -16.122 1.00 0.00 C ATOM 1057 C GLU A 89 70.540 49.510 -15.949 1.00 0.00 C ATOM 1058 O GLU A 89 70.288 50.714 -15.787 1.00 0.00 O ATOM 1059 CB GLU A 89 69.282 47.603 -14.855 1.00 0.00 C ATOM 1060 CG GLU A 89 68.007 46.749 -14.867 1.00 0.00 C ATOM 1061 CD GLU A 89 67.787 46.035 -13.516 1.00 0.00 C ATOM 1062 OE1 GLU A 89 67.410 46.711 -12.527 1.00 0.00 O ATOM 1063 OE2 GLU A 89 67.962 44.793 -13.432 1.00 0.00 O ATOM 0 H GLU A 89 69.859 46.646 -17.090 1.00 0.00 H new ATOM 0 HA GLU A 89 68.487 49.016 -16.278 1.00 0.00 H new ATOM 0 HB2 GLU A 89 70.152 46.952 -14.768 1.00 0.00 H new ATOM 0 HB3 GLU A 89 69.277 48.248 -13.976 1.00 0.00 H new ATOM 0 HG2 GLU A 89 67.147 47.381 -15.089 1.00 0.00 H new ATOM 0 HG3 GLU A 89 68.072 46.008 -15.664 1.00 0.00 H new ATOM 1070 N ARG A 90 71.799 49.063 -16.053 1.00 0.00 N ATOM 1071 CA ARG A 90 72.969 49.949 -15.964 1.00 0.00 C ATOM 1072 C ARG A 90 72.917 51.018 -17.044 1.00 0.00 C ATOM 1073 O ARG A 90 73.034 52.188 -16.733 1.00 0.00 O ATOM 1074 CB ARG A 90 74.264 49.138 -16.085 1.00 0.00 C ATOM 1075 CG ARG A 90 74.504 48.195 -14.904 1.00 0.00 C ATOM 1076 CD ARG A 90 74.899 48.898 -13.596 1.00 0.00 C ATOM 1077 NE ARG A 90 76.116 49.712 -13.768 1.00 0.00 N ATOM 1078 CZ ARG A 90 77.358 49.450 -13.419 1.00 0.00 C ATOM 1079 NH1 ARG A 90 77.711 48.379 -12.763 1.00 0.00 N ATOM 1080 NH2 ARG A 90 78.268 50.309 -13.757 1.00 0.00 N ATOM 0 H ARG A 90 72.035 48.082 -16.201 1.00 0.00 H new ATOM 0 HA ARG A 90 72.952 50.440 -14.991 1.00 0.00 H new ATOM 0 HB2 ARG A 90 74.234 48.555 -17.005 1.00 0.00 H new ATOM 0 HB3 ARG A 90 75.107 49.824 -16.170 1.00 0.00 H new ATOM 0 HG2 ARG A 90 73.598 47.614 -14.730 1.00 0.00 H new ATOM 0 HG3 ARG A 90 75.289 47.489 -15.173 1.00 0.00 H new ATOM 0 HD2 ARG A 90 74.079 49.533 -13.261 1.00 0.00 H new ATOM 0 HD3 ARG A 90 75.065 48.154 -12.817 1.00 0.00 H new ATOM 0 HE ARG A 90 75.975 50.613 -14.226 1.00 0.00 H new ATOM 0 HH11 ARG A 90 77.008 47.691 -12.493 1.00 0.00 H new ATOM 0 HH12 ARG A 90 78.690 48.230 -12.520 1.00 0.00 H new ATOM 0 HH21 ARG A 90 78.009 51.150 -14.274 1.00 0.00 H new ATOM 0 HH22 ARG A 90 79.243 50.144 -13.506 1.00 0.00 H new ATOM 1094 N LYS A 91 72.649 50.639 -18.290 1.00 0.00 N ATOM 1095 CA LYS A 91 72.481 51.536 -19.458 1.00 0.00 C ATOM 1096 C LYS A 91 71.298 52.498 -19.310 1.00 0.00 C ATOM 1097 O LYS A 91 71.422 53.654 -19.711 1.00 0.00 O ATOM 1098 CB LYS A 91 72.336 50.687 -20.743 1.00 0.00 C ATOM 1099 CG LYS A 91 72.103 51.395 -22.092 1.00 0.00 C ATOM 1100 CD LYS A 91 73.163 52.444 -22.455 1.00 0.00 C ATOM 1101 CE LYS A 91 73.118 52.895 -23.925 1.00 0.00 C ATOM 1102 NZ LYS A 91 73.734 51.899 -24.856 1.00 0.00 N ATOM 0 H LYS A 91 72.535 49.656 -18.538 1.00 0.00 H new ATOM 0 HA LYS A 91 73.373 52.159 -19.522 1.00 0.00 H new ATOM 0 HB2 LYS A 91 73.239 50.084 -20.841 1.00 0.00 H new ATOM 0 HB3 LYS A 91 71.507 49.997 -20.588 1.00 0.00 H new ATOM 0 HG2 LYS A 91 72.070 50.643 -22.881 1.00 0.00 H new ATOM 0 HG3 LYS A 91 71.126 51.878 -22.070 1.00 0.00 H new ATOM 0 HD2 LYS A 91 73.031 53.316 -21.814 1.00 0.00 H new ATOM 0 HD3 LYS A 91 74.151 52.037 -22.241 1.00 0.00 H new ATOM 0 HE2 LYS A 91 72.082 53.065 -24.216 1.00 0.00 H new ATOM 0 HE3 LYS A 91 73.638 53.848 -24.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 73.971 52.365 -25.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 74.599 51.513 -24.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 73.061 51.126 -25.033 1.00 0.00 H new ATOM 1116 N LYS A 92 70.187 52.090 -18.678 1.00 0.00 N ATOM 1117 CA LYS A 92 69.111 53.012 -18.276 1.00 0.00 C ATOM 1118 C LYS A 92 69.637 54.093 -17.315 1.00 0.00 C ATOM 1119 O LYS A 92 69.257 55.257 -17.456 1.00 0.00 O ATOM 1120 CB LYS A 92 67.927 52.198 -17.719 1.00 0.00 C ATOM 1121 CG LYS A 92 66.651 53.014 -17.465 1.00 0.00 C ATOM 1122 CD LYS A 92 66.544 53.577 -16.037 1.00 0.00 C ATOM 1123 CE LYS A 92 65.218 54.333 -15.873 1.00 0.00 C ATOM 1124 NZ LYS A 92 65.055 54.875 -14.495 1.00 0.00 N ATOM 0 H LYS A 92 70.008 51.116 -18.432 1.00 0.00 H new ATOM 0 HA LYS A 92 68.742 53.561 -19.142 1.00 0.00 H new ATOM 0 HB2 LYS A 92 67.695 51.395 -18.418 1.00 0.00 H new ATOM 0 HB3 LYS A 92 68.234 51.729 -16.784 1.00 0.00 H new ATOM 0 HG2 LYS A 92 66.613 53.841 -18.175 1.00 0.00 H new ATOM 0 HG3 LYS A 92 65.784 52.384 -17.663 1.00 0.00 H new ATOM 0 HD2 LYS A 92 66.603 52.766 -15.311 1.00 0.00 H new ATOM 0 HD3 LYS A 92 67.381 54.245 -15.836 1.00 0.00 H new ATOM 0 HE2 LYS A 92 65.175 55.151 -16.592 1.00 0.00 H new ATOM 0 HE3 LYS A 92 64.388 53.664 -16.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 64.148 55.378 -14.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 65.071 54.093 -13.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 65.833 55.533 -14.287 1.00 0.00 H new ATOM 1138 N SER A 93 70.566 53.746 -16.417 1.00 0.00 N ATOM 1139 CA SER A 93 71.318 54.738 -15.612 1.00 0.00 C ATOM 1140 C SER A 93 72.533 55.402 -16.315 1.00 0.00 C ATOM 1141 O SER A 93 72.992 56.454 -15.865 1.00 0.00 O ATOM 1142 CB SER A 93 71.773 54.105 -14.291 1.00 0.00 C ATOM 1143 OG SER A 93 70.646 53.698 -13.524 1.00 0.00 O ATOM 0 H SER A 93 70.823 52.778 -16.222 1.00 0.00 H new ATOM 0 HA SER A 93 70.609 55.549 -15.445 1.00 0.00 H new ATOM 0 HB2 SER A 93 72.413 53.246 -14.493 1.00 0.00 H new ATOM 0 HB3 SER A 93 72.369 54.820 -13.723 1.00 0.00 H new ATOM 0 HG SER A 93 70.950 53.294 -12.684 1.00 0.00 H new ATOM 1149 N GLU A 94 73.065 54.825 -17.400 1.00 0.00 N ATOM 1150 CA GLU A 94 74.374 55.135 -18.010 1.00 0.00 C ATOM 1151 C GLU A 94 74.306 55.128 -19.555 1.00 0.00 C ATOM 1152 O GLU A 94 74.655 54.118 -20.176 1.00 0.00 O ATOM 1153 CB GLU A 94 75.442 54.116 -17.552 1.00 0.00 C ATOM 1154 CG GLU A 94 75.658 54.087 -16.041 1.00 0.00 C ATOM 1155 CD GLU A 94 76.862 53.205 -15.657 1.00 0.00 C ATOM 1156 OE1 GLU A 94 78.031 53.627 -15.838 1.00 0.00 O ATOM 1157 OE2 GLU A 94 76.651 52.084 -15.134 1.00 0.00 O ATOM 0 H GLU A 94 72.571 54.090 -17.906 1.00 0.00 H new ATOM 0 HA GLU A 94 74.648 56.136 -17.678 1.00 0.00 H new ATOM 0 HB2 GLU A 94 75.149 53.121 -17.887 1.00 0.00 H new ATOM 0 HB3 GLU A 94 76.388 54.351 -18.040 1.00 0.00 H new ATOM 0 HG2 GLU A 94 75.818 55.102 -15.676 1.00 0.00 H new ATOM 0 HG3 GLU A 94 74.760 53.711 -15.552 1.00 0.00 H new ATOM 1164 N PRO A 95 73.894 56.229 -20.217 1.00 0.00 N ATOM 1165 CA PRO A 95 73.623 56.274 -21.665 1.00 0.00 C ATOM 1166 C PRO A 95 74.819 55.978 -22.604 1.00 0.00 C ATOM 1167 O PRO A 95 74.646 55.944 -23.822 1.00 0.00 O ATOM 1168 CB PRO A 95 72.998 57.655 -21.922 1.00 0.00 C ATOM 1169 CG PRO A 95 73.458 58.502 -20.739 1.00 0.00 C ATOM 1170 CD PRO A 95 73.502 57.488 -19.601 1.00 0.00 C ATOM 0 HA PRO A 95 72.955 55.451 -21.919 1.00 0.00 H new ATOM 0 HB2 PRO A 95 73.338 58.076 -22.868 1.00 0.00 H new ATOM 0 HB3 PRO A 95 71.911 57.597 -21.971 1.00 0.00 H new ATOM 0 HG2 PRO A 95 74.434 58.953 -20.918 1.00 0.00 H new ATOM 0 HG3 PRO A 95 72.765 59.316 -20.530 1.00 0.00 H new ATOM 0 HD2 PRO A 95 74.216 57.789 -18.835 1.00 0.00 H new ATOM 0 HD3 PRO A 95 72.530 57.401 -19.115 1.00 0.00 H new ATOM 1178 N TRP A 96 76.015 55.721 -22.064 1.00 0.00 N ATOM 1179 CA TRP A 96 77.248 55.372 -22.786 1.00 0.00 C ATOM 1180 C TRP A 96 77.569 53.862 -22.846 1.00 0.00 C ATOM 1181 O TRP A 96 78.478 53.477 -23.586 1.00 0.00 O ATOM 1182 CB TRP A 96 78.399 56.157 -22.136 1.00 0.00 C ATOM 1183 CG TRP A 96 78.489 56.041 -20.641 1.00 0.00 C ATOM 1184 CD1 TRP A 96 79.095 55.045 -19.954 1.00 0.00 C ATOM 1185 CD2 TRP A 96 77.918 56.932 -19.630 1.00 0.00 C ATOM 1186 NE1 TRP A 96 78.937 55.256 -18.597 1.00 0.00 N ATOM 1187 CE2 TRP A 96 78.214 56.402 -18.339 1.00 0.00 C ATOM 1188 CE3 TRP A 96 77.166 58.127 -19.675 1.00 0.00 C ATOM 1189 CZ2 TRP A 96 77.777 57.015 -17.155 1.00 0.00 C ATOM 1190 CZ3 TRP A 96 76.729 58.756 -18.493 1.00 0.00 C ATOM 1191 CH2 TRP A 96 77.026 58.200 -17.236 1.00 0.00 C ATOM 0 H TRP A 96 76.159 55.752 -21.055 1.00 0.00 H new ATOM 0 HA TRP A 96 77.107 55.646 -23.831 1.00 0.00 H new ATOM 0 HB2 TRP A 96 79.340 55.816 -22.568 1.00 0.00 H new ATOM 0 HB3 TRP A 96 78.292 57.210 -22.397 1.00 0.00 H new ATOM 0 HD1 TRP A 96 79.621 54.213 -20.398 1.00 0.00 H new ATOM 0 HE1 TRP A 96 79.310 54.640 -17.875 1.00 0.00 H new ATOM 0 HE3 TRP A 96 76.922 58.565 -20.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 78.015 56.582 -16.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 76.161 59.673 -18.553 1.00 0.00 H new ATOM 0 HH2 TRP A 96 76.678 58.683 -16.335 1.00 0.00 H new ATOM 1202 N LEU A 97 76.877 52.997 -22.085 1.00 0.00 N ATOM 1203 CA LEU A 97 77.279 51.602 -21.859 1.00 0.00 C ATOM 1204 C LEU A 97 77.218 50.705 -23.109 1.00 0.00 C ATOM 1205 O LEU A 97 76.226 50.719 -23.844 1.00 0.00 O ATOM 1206 CB LEU A 97 76.400 51.016 -20.737 1.00 0.00 C ATOM 1207 CG LEU A 97 77.050 49.876 -19.951 1.00 0.00 C ATOM 1208 CD1 LEU A 97 78.259 50.309 -19.125 1.00 0.00 C ATOM 1209 CD2 LEU A 97 76.016 49.303 -18.988 1.00 0.00 C ATOM 0 H LEU A 97 76.014 53.252 -21.605 1.00 0.00 H new ATOM 0 HA LEU A 97 78.332 51.618 -21.576 1.00 0.00 H new ATOM 0 HB2 LEU A 97 76.138 51.815 -20.044 1.00 0.00 H new ATOM 0 HB3 LEU A 97 75.469 50.655 -21.174 1.00 0.00 H new ATOM 0 HG LEU A 97 77.397 49.148 -20.685 1.00 0.00 H new ATOM 0 HD11 LEU A 97 78.666 49.447 -18.596 1.00 0.00 H new ATOM 0 HD12 LEU A 97 79.021 50.723 -19.785 1.00 0.00 H new ATOM 0 HD13 LEU A 97 77.954 51.067 -18.403 1.00 0.00 H new ATOM 0 HD21 LEU A 97 76.462 48.488 -18.418 1.00 0.00 H new ATOM 0 HD22 LEU A 97 75.683 50.084 -18.304 1.00 0.00 H new ATOM 0 HD23 LEU A 97 75.163 48.927 -19.552 1.00 0.00 H new ATOM 1221 N ARG A 98 78.240 49.859 -23.289 1.00 0.00 N ATOM 1222 CA ARG A 98 78.399 48.913 -24.415 1.00 0.00 C ATOM 1223 C ARG A 98 77.977 47.481 -24.043 1.00 0.00 C ATOM 1224 O ARG A 98 77.919 47.128 -22.866 1.00 0.00 O ATOM 1225 CB ARG A 98 79.857 48.952 -24.932 1.00 0.00 C ATOM 1226 CG ARG A 98 80.458 50.359 -25.109 1.00 0.00 C ATOM 1227 CD ARG A 98 79.643 51.280 -26.028 1.00 0.00 C ATOM 1228 NE ARG A 98 80.099 52.677 -25.900 1.00 0.00 N ATOM 1229 CZ ARG A 98 81.043 53.292 -26.591 1.00 0.00 C ATOM 1230 NH1 ARG A 98 81.717 52.698 -27.536 1.00 0.00 N ATOM 1231 NH2 ARG A 98 81.336 54.535 -26.336 1.00 0.00 N ATOM 0 H ARG A 98 79.016 49.808 -22.628 1.00 0.00 H new ATOM 0 HA ARG A 98 77.729 49.231 -25.214 1.00 0.00 H new ATOM 0 HB2 ARG A 98 80.485 48.392 -24.240 1.00 0.00 H new ATOM 0 HB3 ARG A 98 79.899 48.434 -25.890 1.00 0.00 H new ATOM 0 HG2 ARG A 98 80.549 50.829 -24.130 1.00 0.00 H new ATOM 0 HG3 ARG A 98 81.467 50.263 -25.511 1.00 0.00 H new ATOM 0 HD2 ARG A 98 79.744 50.952 -27.063 1.00 0.00 H new ATOM 0 HD3 ARG A 98 78.585 51.212 -25.774 1.00 0.00 H new ATOM 0 HE ARG A 98 79.627 53.238 -25.190 1.00 0.00 H new ATOM 0 HH11 ARG A 98 81.523 51.723 -27.765 1.00 0.00 H new ATOM 0 HH12 ARG A 98 82.438 53.208 -28.046 1.00 0.00 H new ATOM 0 HH21 ARG A 98 80.837 55.036 -25.601 1.00 0.00 H new ATOM 0 HH22 ARG A 98 82.065 55.007 -26.871 1.00 0.00 H new ATOM 1245 N LEU A 99 77.677 46.675 -25.063 1.00 0.00 N ATOM 1246 CA LEU A 99 77.049 45.349 -24.976 1.00 0.00 C ATOM 1247 C LEU A 99 77.754 44.370 -25.932 1.00 0.00 C ATOM 1248 O LEU A 99 77.990 44.701 -27.097 1.00 0.00 O ATOM 1249 CB LEU A 99 75.564 45.567 -25.327 1.00 0.00 C ATOM 1250 CG LEU A 99 74.540 44.418 -25.264 1.00 0.00 C ATOM 1251 CD1 LEU A 99 74.671 43.507 -26.489 1.00 0.00 C ATOM 1252 CD2 LEU A 99 74.569 43.642 -23.952 1.00 0.00 C ATOM 0 H LEU A 99 77.876 46.942 -26.027 1.00 0.00 H new ATOM 0 HA LEU A 99 77.134 44.904 -23.985 1.00 0.00 H new ATOM 0 HB2 LEU A 99 75.196 46.354 -24.669 1.00 0.00 H new ATOM 0 HB3 LEU A 99 75.534 45.961 -26.343 1.00 0.00 H new ATOM 0 HG LEU A 99 73.552 44.877 -25.290 1.00 0.00 H new ATOM 0 HD11 LEU A 99 73.939 42.702 -26.424 1.00 0.00 H new ATOM 0 HD12 LEU A 99 74.493 44.087 -27.395 1.00 0.00 H new ATOM 0 HD13 LEU A 99 75.674 43.082 -26.521 1.00 0.00 H new ATOM 0 HD21 LEU A 99 73.821 42.849 -23.981 1.00 0.00 H new ATOM 0 HD22 LEU A 99 75.557 43.204 -23.810 1.00 0.00 H new ATOM 0 HD23 LEU A 99 74.350 44.317 -23.125 1.00 0.00 H new ATOM 1264 N ASP A 100 78.077 43.165 -25.454 1.00 0.00 N ATOM 1265 CA ASP A 100 78.690 42.096 -26.255 1.00 0.00 C ATOM 1266 C ASP A 100 78.117 40.719 -25.872 1.00 0.00 C ATOM 1267 O ASP A 100 78.042 40.379 -24.690 1.00 0.00 O ATOM 1268 CB ASP A 100 80.220 42.136 -26.086 1.00 0.00 C ATOM 1269 CG ASP A 100 80.980 41.151 -26.998 1.00 0.00 C ATOM 1270 OD1 ASP A 100 80.380 40.577 -27.938 1.00 0.00 O ATOM 1271 OD2 ASP A 100 82.204 40.972 -26.781 1.00 0.00 O ATOM 0 H ASP A 100 77.918 42.898 -24.483 1.00 0.00 H new ATOM 0 HA ASP A 100 78.452 42.260 -27.306 1.00 0.00 H new ATOM 0 HB2 ASP A 100 80.571 43.148 -26.290 1.00 0.00 H new ATOM 0 HB3 ASP A 100 80.466 41.916 -25.047 1.00 0.00 H new ATOM 1276 N MET A 101 77.700 39.937 -26.875 1.00 0.00 N ATOM 1277 CA MET A 101 77.105 38.601 -26.719 1.00 0.00 C ATOM 1278 C MET A 101 77.842 37.505 -27.516 1.00 0.00 C ATOM 1279 O MET A 101 77.383 36.359 -27.548 1.00 0.00 O ATOM 1280 CB MET A 101 75.608 38.657 -27.072 1.00 0.00 C ATOM 1281 CG MET A 101 74.829 39.557 -26.108 1.00 0.00 C ATOM 1282 SD MET A 101 73.061 39.627 -26.480 1.00 0.00 S ATOM 1283 CE MET A 101 72.509 40.703 -25.135 1.00 0.00 C ATOM 0 H MET A 101 77.769 40.225 -27.851 1.00 0.00 H new ATOM 0 HA MET A 101 77.216 38.314 -25.673 1.00 0.00 H new ATOM 0 HB2 MET A 101 75.488 39.026 -28.091 1.00 0.00 H new ATOM 0 HB3 MET A 101 75.191 37.650 -27.047 1.00 0.00 H new ATOM 0 HG2 MET A 101 74.966 39.194 -25.089 1.00 0.00 H new ATOM 0 HG3 MET A 101 75.243 40.565 -26.146 1.00 0.00 H new ATOM 0 HE1 MET A 101 71.594 40.301 -24.700 1.00 0.00 H new ATOM 0 HE2 MET A 101 73.283 40.754 -24.369 1.00 0.00 H new ATOM 0 HE3 MET A 101 72.317 41.703 -25.524 1.00 0.00 H new ATOM 1293 N SER A 102 78.988 37.817 -28.134 1.00 0.00 N ATOM 1294 CA SER A 102 79.884 36.802 -28.711 1.00 0.00 C ATOM 1295 C SER A 102 80.450 35.896 -27.611 1.00 0.00 C ATOM 1296 O SER A 102 80.687 36.342 -26.488 1.00 0.00 O ATOM 1297 CB SER A 102 81.026 37.455 -29.500 1.00 0.00 C ATOM 1298 OG SER A 102 80.514 38.108 -30.656 1.00 0.00 O ATOM 0 H SER A 102 79.321 38.774 -28.249 1.00 0.00 H new ATOM 0 HA SER A 102 79.299 36.194 -29.401 1.00 0.00 H new ATOM 0 HB2 SER A 102 81.549 38.174 -28.869 1.00 0.00 H new ATOM 0 HB3 SER A 102 81.754 36.699 -29.793 1.00 0.00 H new ATOM 0 HG SER A 102 81.251 38.523 -31.151 1.00 0.00 H new ATOM 1304 N ASP A 103 80.693 34.618 -27.919 1.00 0.00 N ATOM 1305 CA ASP A 103 80.947 33.581 -26.899 1.00 0.00 C ATOM 1306 C ASP A 103 82.197 33.856 -26.040 1.00 0.00 C ATOM 1307 O ASP A 103 82.240 33.491 -24.865 1.00 0.00 O ATOM 1308 CB ASP A 103 81.037 32.210 -27.594 1.00 0.00 C ATOM 1309 CG ASP A 103 80.236 31.079 -26.916 1.00 0.00 C ATOM 1310 OD1 ASP A 103 79.215 31.323 -26.229 1.00 0.00 O ATOM 1311 OD2 ASP A 103 80.527 29.899 -27.216 1.00 0.00 O ATOM 0 H ASP A 103 80.720 34.269 -28.877 1.00 0.00 H new ATOM 0 HA ASP A 103 80.112 33.593 -26.199 1.00 0.00 H new ATOM 0 HB2 ASP A 103 80.687 32.317 -28.621 1.00 0.00 H new ATOM 0 HB3 ASP A 103 82.085 31.913 -27.643 1.00 0.00 H new ATOM 1316 N LYS A 104 83.174 34.602 -26.584 1.00 0.00 N ATOM 1317 CA LYS A 104 84.362 35.090 -25.859 1.00 0.00 C ATOM 1318 C LYS A 104 84.015 35.929 -24.625 1.00 0.00 C ATOM 1319 O LYS A 104 84.691 35.798 -23.606 1.00 0.00 O ATOM 1320 CB LYS A 104 85.277 35.875 -26.817 1.00 0.00 C ATOM 1321 CG LYS A 104 85.911 34.964 -27.886 1.00 0.00 C ATOM 1322 CD LYS A 104 86.820 35.722 -28.868 1.00 0.00 C ATOM 1323 CE LYS A 104 88.076 36.296 -28.192 1.00 0.00 C ATOM 1324 NZ LYS A 104 88.978 36.956 -29.178 1.00 0.00 N ATOM 0 H LYS A 104 83.160 34.890 -27.563 1.00 0.00 H new ATOM 0 HA LYS A 104 84.891 34.213 -25.487 1.00 0.00 H new ATOM 0 HB2 LYS A 104 84.701 36.661 -27.306 1.00 0.00 H new ATOM 0 HB3 LYS A 104 86.065 36.366 -26.245 1.00 0.00 H new ATOM 0 HG2 LYS A 104 86.491 34.185 -27.392 1.00 0.00 H new ATOM 0 HG3 LYS A 104 85.119 34.466 -28.445 1.00 0.00 H new ATOM 0 HD2 LYS A 104 87.120 35.050 -29.672 1.00 0.00 H new ATOM 0 HD3 LYS A 104 86.256 36.534 -29.326 1.00 0.00 H new ATOM 0 HE2 LYS A 104 87.782 37.016 -27.429 1.00 0.00 H new ATOM 0 HE3 LYS A 104 88.615 35.496 -27.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 89.814 37.331 -28.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 89.278 36.262 -29.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 88.472 37.736 -29.644 1.00 0.00 H new ATOM 1338 N ALA A 105 82.935 36.715 -24.661 1.00 0.00 N ATOM 1339 CA ALA A 105 82.444 37.457 -23.495 1.00 0.00 C ATOM 1340 C ALA A 105 82.032 36.512 -22.355 1.00 0.00 C ATOM 1341 O ALA A 105 82.353 36.755 -21.192 1.00 0.00 O ATOM 1342 CB ALA A 105 81.292 38.375 -23.929 1.00 0.00 C ATOM 0 H ALA A 105 82.375 36.855 -25.502 1.00 0.00 H new ATOM 0 HA ALA A 105 83.250 38.074 -23.099 1.00 0.00 H new ATOM 0 HB1 ALA A 105 80.923 38.929 -23.066 1.00 0.00 H new ATOM 0 HB2 ALA A 105 81.649 39.075 -24.684 1.00 0.00 H new ATOM 0 HB3 ALA A 105 80.484 37.773 -24.346 1.00 0.00 H new ATOM 1348 N ILE A 106 81.395 35.388 -22.698 1.00 0.00 N ATOM 1349 CA ILE A 106 80.925 34.381 -21.743 1.00 0.00 C ATOM 1350 C ILE A 106 82.126 33.598 -21.203 1.00 0.00 C ATOM 1351 O ILE A 106 82.259 33.485 -19.990 1.00 0.00 O ATOM 1352 CB ILE A 106 79.833 33.486 -22.379 1.00 0.00 C ATOM 1353 CG1 ILE A 106 78.501 34.238 -22.621 1.00 0.00 C ATOM 1354 CG2 ILE A 106 79.510 32.274 -21.482 1.00 0.00 C ATOM 1355 CD1 ILE A 106 78.546 35.449 -23.566 1.00 0.00 C ATOM 0 H ILE A 106 81.188 35.148 -23.668 1.00 0.00 H new ATOM 0 HA ILE A 106 80.446 34.863 -20.891 1.00 0.00 H new ATOM 0 HB ILE A 106 80.250 33.169 -23.335 1.00 0.00 H new ATOM 0 HG12 ILE A 106 77.777 33.526 -23.017 1.00 0.00 H new ATOM 0 HG13 ILE A 106 78.122 34.575 -21.656 1.00 0.00 H new ATOM 0 HG21 ILE A 106 78.740 31.665 -21.956 1.00 0.00 H new ATOM 0 HG22 ILE A 106 80.410 31.675 -21.341 1.00 0.00 H new ATOM 0 HG23 ILE A 106 79.151 32.623 -20.514 1.00 0.00 H new ATOM 0 HD11 ILE A 106 77.550 35.883 -23.648 1.00 0.00 H new ATOM 0 HD12 ILE A 106 79.235 36.194 -23.170 1.00 0.00 H new ATOM 0 HD13 ILE A 106 78.885 35.129 -24.551 1.00 0.00 H new ATOM 1367 N PHE A 107 83.053 33.153 -22.060 1.00 0.00 N ATOM 1368 CA PHE A 107 84.288 32.479 -21.622 1.00 0.00 C ATOM 1369 C PHE A 107 85.104 33.331 -20.632 1.00 0.00 C ATOM 1370 O PHE A 107 85.566 32.827 -19.607 1.00 0.00 O ATOM 1371 CB PHE A 107 85.203 32.161 -22.818 1.00 0.00 C ATOM 1372 CG PHE A 107 84.631 31.390 -23.993 1.00 0.00 C ATOM 1373 CD1 PHE A 107 83.588 30.455 -23.837 1.00 0.00 C ATOM 1374 CD2 PHE A 107 85.194 31.604 -25.266 1.00 0.00 C ATOM 1375 CE1 PHE A 107 83.105 29.754 -24.956 1.00 0.00 C ATOM 1376 CE2 PHE A 107 84.700 30.912 -26.386 1.00 0.00 C ATOM 1377 CZ PHE A 107 83.661 29.980 -26.228 1.00 0.00 C ATOM 0 H PHE A 107 82.972 33.248 -23.072 1.00 0.00 H new ATOM 0 HA PHE A 107 83.962 31.563 -21.130 1.00 0.00 H new ATOM 0 HB2 PHE A 107 85.587 33.107 -23.200 1.00 0.00 H new ATOM 0 HB3 PHE A 107 86.057 31.600 -22.440 1.00 0.00 H new ATOM 0 HD1 PHE A 107 83.161 30.278 -22.861 1.00 0.00 H new ATOM 0 HD2 PHE A 107 86.009 32.303 -25.383 1.00 0.00 H new ATOM 0 HE1 PHE A 107 82.304 29.039 -24.838 1.00 0.00 H new ATOM 0 HE2 PHE A 107 85.118 31.096 -27.365 1.00 0.00 H new ATOM 0 HZ PHE A 107 83.289 29.437 -27.084 1.00 0.00 H new ATOM 1387 N ARG A 108 85.287 34.624 -20.941 1.00 0.00 N ATOM 1388 CA ARG A 108 86.153 35.539 -20.193 1.00 0.00 C ATOM 1389 C ARG A 108 85.516 36.009 -18.879 1.00 0.00 C ATOM 1390 O ARG A 108 86.198 36.034 -17.855 1.00 0.00 O ATOM 1391 CB ARG A 108 86.547 36.667 -21.166 1.00 0.00 C ATOM 1392 CG ARG A 108 87.771 37.483 -20.735 1.00 0.00 C ATOM 1393 CD ARG A 108 87.467 38.635 -19.764 1.00 0.00 C ATOM 1394 NE ARG A 108 88.707 39.323 -19.348 1.00 0.00 N ATOM 1395 CZ ARG A 108 89.323 40.328 -19.950 1.00 0.00 C ATOM 1396 NH1 ARG A 108 88.882 40.861 -21.055 1.00 0.00 N ATOM 1397 NH2 ARG A 108 90.417 40.821 -19.442 1.00 0.00 N ATOM 0 H ARG A 108 84.826 35.069 -21.735 1.00 0.00 H new ATOM 0 HA ARG A 108 87.059 35.040 -19.849 1.00 0.00 H new ATOM 0 HB2 ARG A 108 86.744 36.232 -22.146 1.00 0.00 H new ATOM 0 HB3 ARG A 108 85.699 37.342 -21.282 1.00 0.00 H new ATOM 0 HG2 ARG A 108 88.491 36.812 -20.267 1.00 0.00 H new ATOM 0 HG3 ARG A 108 88.249 37.893 -21.625 1.00 0.00 H new ATOM 0 HD2 ARG A 108 86.794 39.348 -20.241 1.00 0.00 H new ATOM 0 HD3 ARG A 108 86.951 38.248 -18.886 1.00 0.00 H new ATOM 0 HE ARG A 108 89.142 38.981 -18.491 1.00 0.00 H new ATOM 0 HH11 ARG A 108 88.031 40.504 -21.489 1.00 0.00 H new ATOM 0 HH12 ARG A 108 89.388 41.635 -21.486 1.00 0.00 H new ATOM 0 HH21 ARG A 108 90.799 40.432 -18.580 1.00 0.00 H new ATOM 0 HH22 ARG A 108 90.891 41.595 -19.907 1.00 0.00 H new ATOM 1411 N ARG A 109 84.213 36.329 -18.881 1.00 0.00 N ATOM 1412 CA ARG A 109 83.465 36.724 -17.669 1.00 0.00 C ATOM 1413 C ARG A 109 83.144 35.525 -16.760 1.00 0.00 C ATOM 1414 O ARG A 109 83.245 35.639 -15.539 1.00 0.00 O ATOM 1415 CB ARG A 109 82.190 37.480 -18.089 1.00 0.00 C ATOM 1416 CG ARG A 109 81.452 38.079 -16.883 1.00 0.00 C ATOM 1417 CD ARG A 109 80.105 38.701 -17.261 1.00 0.00 C ATOM 1418 NE ARG A 109 80.176 40.150 -17.526 1.00 0.00 N ATOM 1419 CZ ARG A 109 79.304 41.048 -17.090 1.00 0.00 C ATOM 1420 NH1 ARG A 109 78.239 40.723 -16.422 1.00 0.00 N ATOM 1421 NH2 ARG A 109 79.464 42.316 -17.299 1.00 0.00 N ATOM 0 H ARG A 109 83.642 36.322 -19.726 1.00 0.00 H new ATOM 0 HA ARG A 109 84.095 37.384 -17.073 1.00 0.00 H new ATOM 0 HB2 ARG A 109 82.454 38.277 -18.785 1.00 0.00 H new ATOM 0 HB3 ARG A 109 81.524 36.800 -18.620 1.00 0.00 H new ATOM 0 HG2 ARG A 109 81.291 37.300 -16.138 1.00 0.00 H new ATOM 0 HG3 ARG A 109 82.081 38.839 -16.419 1.00 0.00 H new ATOM 0 HD2 ARG A 109 79.718 38.197 -18.146 1.00 0.00 H new ATOM 0 HD3 ARG A 109 79.393 38.522 -16.455 1.00 0.00 H new ATOM 0 HE ARG A 109 80.957 40.487 -18.089 1.00 0.00 H new ATOM 0 HH11 ARG A 109 78.047 39.743 -16.214 1.00 0.00 H new ATOM 0 HH12 ARG A 109 77.595 41.448 -16.106 1.00 0.00 H new ATOM 0 HH21 ARG A 109 80.280 42.649 -17.813 1.00 0.00 H new ATOM 0 HH22 ARG A 109 78.774 42.981 -16.950 1.00 0.00 H new ATOM 1435 N TYR A 110 82.782 34.387 -17.356 1.00 0.00 N ATOM 1436 CA TYR A 110 82.288 33.180 -16.683 1.00 0.00 C ATOM 1437 C TYR A 110 83.136 31.942 -17.060 1.00 0.00 C ATOM 1438 O TYR A 110 82.689 31.084 -17.829 1.00 0.00 O ATOM 1439 CB TYR A 110 80.795 33.003 -17.015 1.00 0.00 C ATOM 1440 CG TYR A 110 79.900 34.179 -16.666 1.00 0.00 C ATOM 1441 CD1 TYR A 110 79.801 34.627 -15.335 1.00 0.00 C ATOM 1442 CD2 TYR A 110 79.149 34.813 -17.676 1.00 0.00 C ATOM 1443 CE1 TYR A 110 78.957 35.710 -15.019 1.00 0.00 C ATOM 1444 CE2 TYR A 110 78.277 35.872 -17.355 1.00 0.00 C ATOM 1445 CZ TYR A 110 78.170 36.318 -16.022 1.00 0.00 C ATOM 1446 OH TYR A 110 77.327 37.345 -15.719 1.00 0.00 O ATOM 0 H TYR A 110 82.827 34.275 -18.369 1.00 0.00 H new ATOM 0 HA TYR A 110 82.388 33.289 -15.603 1.00 0.00 H new ATOM 0 HB2 TYR A 110 80.700 32.802 -18.082 1.00 0.00 H new ATOM 0 HB3 TYR A 110 80.427 32.121 -16.490 1.00 0.00 H new ATOM 0 HD1 TYR A 110 80.371 34.141 -14.557 1.00 0.00 H new ATOM 0 HD2 TYR A 110 79.242 34.486 -18.701 1.00 0.00 H new ATOM 0 HE1 TYR A 110 78.912 36.077 -14.004 1.00 0.00 H new ATOM 0 HE2 TYR A 110 77.690 36.342 -18.130 1.00 0.00 H new ATOM 0 HH TYR A 110 76.867 37.641 -16.532 1.00 0.00 H new ATOM 1456 N PRO A 111 84.367 31.807 -16.523 1.00 0.00 N ATOM 1457 CA PRO A 111 85.310 30.749 -16.911 1.00 0.00 C ATOM 1458 C PRO A 111 84.874 29.327 -16.520 1.00 0.00 C ATOM 1459 O PRO A 111 85.469 28.356 -16.990 1.00 0.00 O ATOM 1460 CB PRO A 111 86.645 31.144 -16.267 1.00 0.00 C ATOM 1461 CG PRO A 111 86.223 31.952 -15.041 1.00 0.00 C ATOM 1462 CD PRO A 111 84.989 32.694 -15.547 1.00 0.00 C ATOM 0 HA PRO A 111 85.374 30.688 -17.997 1.00 0.00 H new ATOM 0 HB2 PRO A 111 87.231 30.268 -15.988 1.00 0.00 H new ATOM 0 HB3 PRO A 111 87.259 31.736 -16.946 1.00 0.00 H new ATOM 0 HG2 PRO A 111 85.991 31.310 -14.191 1.00 0.00 H new ATOM 0 HG3 PRO A 111 87.006 32.638 -14.718 1.00 0.00 H new ATOM 0 HD2 PRO A 111 84.304 32.918 -14.729 1.00 0.00 H new ATOM 0 HD3 PRO A 111 85.264 33.646 -16.002 1.00 0.00 H new ATOM 1470 N HIS A 112 83.824 29.178 -15.703 1.00 0.00 N ATOM 1471 CA HIS A 112 83.200 27.888 -15.383 1.00 0.00 C ATOM 1472 C HIS A 112 82.276 27.361 -16.499 1.00 0.00 C ATOM 1473 O HIS A 112 82.025 26.156 -16.572 1.00 0.00 O ATOM 1474 CB HIS A 112 82.396 28.050 -14.083 1.00 0.00 C ATOM 1475 CG HIS A 112 81.059 28.732 -14.271 1.00 0.00 C ATOM 1476 ND1 HIS A 112 80.857 30.054 -14.691 1.00 0.00 N ATOM 1477 CD2 HIS A 112 79.848 28.110 -14.169 1.00 0.00 C ATOM 1478 CE1 HIS A 112 79.523 30.198 -14.799 1.00 0.00 C ATOM 1479 NE2 HIS A 112 78.901 29.056 -14.487 1.00 0.00 N ATOM 0 H HIS A 112 83.375 29.966 -15.237 1.00 0.00 H new ATOM 0 HA HIS A 112 83.998 27.153 -15.273 1.00 0.00 H new ATOM 0 HB2 HIS A 112 82.232 27.066 -13.643 1.00 0.00 H new ATOM 0 HB3 HIS A 112 82.988 28.623 -13.370 1.00 0.00 H new ATOM 0 HD2 HIS A 112 79.669 27.081 -13.894 1.00 0.00 H new ATOM 0 HE1 HIS A 112 79.025 31.109 -15.096 1.00 0.00 H new ATOM 0 HE2 HIS A 112 77.891 28.910 -14.485 1.00 0.00 H new ATOM 1487 N LEU A 113 81.742 28.257 -17.338 1.00 0.00 N ATOM 1488 CA LEU A 113 80.576 28.003 -18.180 1.00 0.00 C ATOM 1489 C LEU A 113 80.932 27.163 -19.425 1.00 0.00 C ATOM 1490 O LEU A 113 80.289 26.139 -19.678 1.00 0.00 O ATOM 1491 CB LEU A 113 79.977 29.388 -18.508 1.00 0.00 C ATOM 1492 CG LEU A 113 78.484 29.451 -18.849 1.00 0.00 C ATOM 1493 CD1 LEU A 113 78.135 28.563 -20.036 1.00 0.00 C ATOM 1494 CD2 LEU A 113 77.601 29.123 -17.653 1.00 0.00 C ATOM 0 H LEU A 113 82.120 29.198 -17.450 1.00 0.00 H new ATOM 0 HA LEU A 113 79.833 27.393 -17.667 1.00 0.00 H new ATOM 0 HB2 LEU A 113 80.155 30.042 -17.654 1.00 0.00 H new ATOM 0 HB3 LEU A 113 80.532 29.804 -19.349 1.00 0.00 H new ATOM 0 HG LEU A 113 78.281 30.484 -19.130 1.00 0.00 H new ATOM 0 HD11 LEU A 113 77.068 28.637 -20.244 1.00 0.00 H new ATOM 0 HD12 LEU A 113 78.699 28.887 -20.911 1.00 0.00 H new ATOM 0 HD13 LEU A 113 78.388 27.529 -19.804 1.00 0.00 H new ATOM 0 HD21 LEU A 113 76.553 29.182 -17.947 1.00 0.00 H new ATOM 0 HD22 LEU A 113 77.823 28.115 -17.302 1.00 0.00 H new ATOM 0 HD23 LEU A 113 77.793 29.837 -16.852 1.00 0.00 H new ATOM 1506 N ARG A 114 81.996 27.567 -20.142 1.00 0.00 N ATOM 1507 CA ARG A 114 82.530 26.922 -21.362 1.00 0.00 C ATOM 1508 C ARG A 114 81.432 26.606 -22.407 1.00 0.00 C ATOM 1509 O ARG A 114 80.717 27.555 -22.807 1.00 0.00 O ATOM 1510 CB ARG A 114 83.395 25.697 -20.983 1.00 0.00 C ATOM 1511 CG ARG A 114 84.511 25.955 -19.953 1.00 0.00 C ATOM 1512 CD ARG A 114 85.555 26.975 -20.424 1.00 0.00 C ATOM 1513 NE ARG A 114 86.544 27.224 -19.361 1.00 0.00 N ATOM 1514 CZ ARG A 114 87.853 27.064 -19.397 1.00 0.00 C ATOM 1515 NH1 ARG A 114 88.484 26.657 -20.460 1.00 0.00 N ATOM 1516 NH2 ARG A 114 88.557 27.319 -18.334 1.00 0.00 N ATOM 1517 OXT ARG A 114 81.312 25.445 -22.870 1.00 0.00 O ATOM 0 H ARG A 114 82.535 28.391 -19.876 1.00 0.00 H new ATOM 0 HA ARG A 114 83.181 27.636 -21.865 1.00 0.00 H new ATOM 0 HB2 ARG A 114 82.738 24.920 -20.592 1.00 0.00 H new ATOM 0 HB3 ARG A 114 83.850 25.302 -21.892 1.00 0.00 H new ATOM 0 HG2 ARG A 114 84.063 26.308 -19.024 1.00 0.00 H new ATOM 0 HG3 ARG A 114 85.011 25.013 -19.727 1.00 0.00 H new ATOM 0 HD2 ARG A 114 86.057 26.605 -21.318 1.00 0.00 H new ATOM 0 HD3 ARG A 114 85.063 27.908 -20.698 1.00 0.00 H new ATOM 0 HE ARG A 114 86.166 27.566 -18.478 1.00 0.00 H new ATOM 0 HH11 ARG A 114 87.965 26.447 -21.312 1.00 0.00 H new ATOM 0 HH12 ARG A 114 89.498 26.548 -20.441 1.00 0.00 H new ATOM 0 HH21 ARG A 114 88.097 27.640 -17.482 1.00 0.00 H new ATOM 0 HH22 ARG A 114 89.570 27.198 -18.352 1.00 0.00 H new TER 1531 ARG A 114