USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 593 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 LYS NZ :NH3+ 145:sc= 0.901 (180deg=0) USER MOD Set 1.2: A 58 THR OG1 : rot 91:sc= 0.787 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 25 MET CE :methyl -169:sc= 0 (180deg=-0.137) USER MOD Single : A 1 GLY N :NH3+ -137:sc= 0.0177 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0315 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00235 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0148 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0424 USER MOD Single : A 8 SER OG : rot -110:sc= 0.245 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 104:sc= 1.18 USER MOD Single : A 23 MET CE :methyl -141:sc= -0.323 (180deg=-0.404) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 165:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.509 X(o=-0.51,f=-0.064) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 132:sc= 1.23 (180deg=0.177) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.384 USER MOD Single : A 60 MET CE :methyl 156:sc= -2.16 (180deg=-3.64!) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.0185 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0567 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.284 -6.831 8.658 1.00 0.00 N ATOM 2 CA GLY A 1 -12.726 -6.917 8.908 1.00 0.00 C ATOM 3 C GLY A 1 -13.253 -8.232 8.366 1.00 0.00 C ATOM 4 O GLY A 1 -12.649 -9.271 8.613 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.807 -6.458 9.503 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.912 -7.778 8.440 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.108 -6.197 7.853 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.926 -6.845 9.977 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.240 -6.082 8.431 1.00 0.00 H new ATOM 8 N SER A 2 -14.380 -8.224 7.657 1.00 0.00 N ATOM 9 CA SER A 2 -14.942 -9.441 7.084 1.00 0.00 C ATOM 10 C SER A 2 -13.973 -9.997 6.032 1.00 0.00 C ATOM 11 O SER A 2 -13.342 -9.205 5.327 1.00 0.00 O ATOM 12 CB SER A 2 -16.326 -9.144 6.490 1.00 0.00 C ATOM 13 OG SER A 2 -16.376 -7.888 5.828 1.00 0.00 O ATOM 0 H SER A 2 -14.923 -7.382 7.466 1.00 0.00 H new ATOM 0 HA SER A 2 -15.073 -10.198 7.857 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.593 -9.933 5.786 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.071 -9.162 7.286 1.00 0.00 H new ATOM 0 HG SER A 2 -17.275 -7.745 5.466 1.00 0.00 H new ATOM 19 N SER A 3 -13.911 -11.317 5.857 1.00 0.00 N ATOM 20 CA SER A 3 -13.020 -11.965 4.897 1.00 0.00 C ATOM 21 C SER A 3 -13.181 -11.428 3.471 1.00 0.00 C ATOM 22 O SER A 3 -12.182 -11.264 2.765 1.00 0.00 O ATOM 23 CB SER A 3 -13.296 -13.471 4.904 1.00 0.00 C ATOM 24 OG SER A 3 -13.281 -13.988 6.218 1.00 0.00 O ATOM 0 H SER A 3 -14.486 -11.974 6.385 1.00 0.00 H new ATOM 0 HA SER A 3 -11.997 -11.748 5.205 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.265 -13.668 4.444 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.547 -13.983 4.300 1.00 0.00 H new ATOM 0 HG SER A 3 -13.462 -14.951 6.193 1.00 0.00 H new ATOM 30 N GLY A 4 -14.410 -11.137 3.039 1.00 0.00 N ATOM 31 CA GLY A 4 -14.692 -10.633 1.704 1.00 0.00 C ATOM 32 C GLY A 4 -14.182 -9.212 1.525 1.00 0.00 C ATOM 33 O GLY A 4 -14.526 -8.317 2.302 1.00 0.00 O ATOM 0 H GLY A 4 -15.243 -11.248 3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.227 -11.283 0.963 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.767 -10.660 1.523 1.00 0.00 H new ATOM 37 N SER A 5 -13.355 -9.006 0.502 1.00 0.00 N ATOM 38 CA SER A 5 -12.765 -7.719 0.177 1.00 0.00 C ATOM 39 C SER A 5 -13.747 -6.891 -0.646 1.00 0.00 C ATOM 40 O SER A 5 -13.640 -6.785 -1.870 1.00 0.00 O ATOM 41 CB SER A 5 -11.434 -7.936 -0.544 1.00 0.00 C ATOM 42 OG SER A 5 -10.588 -8.771 0.232 1.00 0.00 O ATOM 0 H SER A 5 -13.073 -9.750 -0.136 1.00 0.00 H new ATOM 0 HA SER A 5 -12.557 -7.158 1.088 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.610 -8.390 -1.519 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.947 -6.977 -0.722 1.00 0.00 H new ATOM 0 HG SER A 5 -9.739 -8.905 -0.239 1.00 0.00 H new ATOM 48 N SER A 6 -14.753 -6.328 0.016 1.00 0.00 N ATOM 49 CA SER A 6 -15.765 -5.490 -0.599 1.00 0.00 C ATOM 50 C SER A 6 -15.153 -4.082 -0.745 1.00 0.00 C ATOM 51 O SER A 6 -15.515 -3.125 -0.049 1.00 0.00 O ATOM 52 CB SER A 6 -17.047 -5.601 0.239 1.00 0.00 C ATOM 53 OG SER A 6 -16.780 -5.471 1.624 1.00 0.00 O ATOM 0 H SER A 6 -14.886 -6.448 1.020 1.00 0.00 H new ATOM 0 HA SER A 6 -16.063 -5.792 -1.603 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.752 -4.829 -0.070 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.524 -6.562 0.049 1.00 0.00 H new ATOM 0 HG SER A 6 -17.618 -5.545 2.127 1.00 0.00 H new ATOM 59 N GLY A 7 -14.221 -3.958 -1.689 1.00 0.00 N ATOM 60 CA GLY A 7 -13.471 -2.763 -2.032 1.00 0.00 C ATOM 61 C GLY A 7 -11.978 -3.064 -1.939 1.00 0.00 C ATOM 62 O GLY A 7 -11.593 -4.209 -1.703 1.00 0.00 O ATOM 0 H GLY A 7 -13.955 -4.751 -2.273 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.726 -2.436 -3.040 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.733 -1.948 -1.357 1.00 0.00 H new ATOM 66 N SER A 8 -11.137 -2.049 -2.139 1.00 0.00 N ATOM 67 CA SER A 8 -9.689 -2.212 -2.079 1.00 0.00 C ATOM 68 C SER A 8 -9.071 -1.061 -1.303 1.00 0.00 C ATOM 69 O SER A 8 -9.724 -0.028 -1.121 1.00 0.00 O ATOM 70 CB SER A 8 -9.122 -2.287 -3.499 1.00 0.00 C ATOM 71 OG SER A 8 -9.061 -1.025 -4.157 1.00 0.00 O ATOM 0 H SER A 8 -11.440 -1.097 -2.346 1.00 0.00 H new ATOM 0 HA SER A 8 -9.445 -3.140 -1.561 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.120 -2.715 -3.459 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.736 -2.966 -4.091 1.00 0.00 H new ATOM 0 HG SER A 8 -9.724 -1.000 -4.878 1.00 0.00 H new ATOM 77 N VAL A 9 -7.826 -1.215 -0.854 1.00 0.00 N ATOM 78 CA VAL A 9 -7.161 -0.146 -0.130 1.00 0.00 C ATOM 79 C VAL A 9 -6.896 0.992 -1.123 1.00 0.00 C ATOM 80 O VAL A 9 -6.585 0.758 -2.300 1.00 0.00 O ATOM 81 CB VAL A 9 -5.851 -0.628 0.527 1.00 0.00 C ATOM 82 CG1 VAL A 9 -5.155 0.509 1.291 1.00 0.00 C ATOM 83 CG2 VAL A 9 -6.057 -1.780 1.528 1.00 0.00 C ATOM 0 H VAL A 9 -7.268 -2.060 -0.979 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.798 0.200 0.684 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.240 -0.979 -0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.236 0.135 1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.918 1.319 0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.817 0.881 2.073 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.096 -2.070 1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.723 -1.453 2.327 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.499 -2.634 1.014 1.00 0.00 H new ATOM 93 N VAL A 10 -7.035 2.214 -0.627 1.00 0.00 N ATOM 94 CA VAL A 10 -6.818 3.462 -1.318 1.00 0.00 C ATOM 95 C VAL A 10 -6.145 4.402 -0.318 1.00 0.00 C ATOM 96 O VAL A 10 -6.157 4.173 0.902 1.00 0.00 O ATOM 97 CB VAL A 10 -8.134 4.087 -1.849 1.00 0.00 C ATOM 98 CG1 VAL A 10 -9.029 3.100 -2.610 1.00 0.00 C ATOM 99 CG2 VAL A 10 -8.988 4.750 -0.761 1.00 0.00 C ATOM 0 H VAL A 10 -7.324 2.361 0.340 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.197 3.292 -2.197 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.772 4.849 -2.539 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.929 3.612 -2.949 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.488 2.708 -3.471 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.306 2.277 -1.951 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.891 5.164 -1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.262 4.008 -0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.418 5.550 -0.288 1.00 0.00 H new ATOM 109 N ALA A 11 -5.573 5.478 -0.832 1.00 0.00 N ATOM 110 CA ALA A 11 -4.942 6.479 -0.013 1.00 0.00 C ATOM 111 C ALA A 11 -6.050 7.384 0.522 1.00 0.00 C ATOM 112 O ALA A 11 -6.945 7.807 -0.217 1.00 0.00 O ATOM 113 CB ALA A 11 -3.950 7.275 -0.840 1.00 0.00 C ATOM 0 H ALA A 11 -5.537 5.675 -1.832 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.392 6.024 0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.477 8.030 -0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.188 6.605 -1.238 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.471 7.762 -1.664 1.00 0.00 H new ATOM 119 N LYS A 12 -6.015 7.668 1.820 1.00 0.00 N ATOM 120 CA LYS A 12 -7.015 8.527 2.444 1.00 0.00 C ATOM 121 C LYS A 12 -6.775 9.999 2.105 1.00 0.00 C ATOM 122 O LYS A 12 -7.733 10.760 2.062 1.00 0.00 O ATOM 123 CB LYS A 12 -6.994 8.294 3.957 1.00 0.00 C ATOM 124 CG LYS A 12 -8.252 8.830 4.650 1.00 0.00 C ATOM 125 CD LYS A 12 -8.141 8.488 6.135 1.00 0.00 C ATOM 126 CE LYS A 12 -9.315 8.950 6.982 1.00 0.00 C ATOM 127 NZ LYS A 12 -10.593 8.283 6.660 1.00 0.00 N ATOM 0 H LYS A 12 -5.304 7.315 2.461 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.001 8.272 2.054 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.900 7.226 4.156 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.114 8.776 4.384 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.337 9.908 4.510 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.147 8.381 4.219 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.039 7.408 6.239 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.228 8.934 6.529 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.082 8.776 8.032 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.438 10.026 6.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.343 8.652 7.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.841 8.469 5.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.496 7.258 6.806 1.00 0.00 H new ATOM 141 N VAL A 13 -5.518 10.380 1.873 1.00 0.00 N ATOM 142 CA VAL A 13 -5.050 11.721 1.541 1.00 0.00 C ATOM 143 C VAL A 13 -3.877 11.581 0.565 1.00 0.00 C ATOM 144 O VAL A 13 -3.388 10.469 0.374 1.00 0.00 O ATOM 145 CB VAL A 13 -4.609 12.457 2.827 1.00 0.00 C ATOM 146 CG1 VAL A 13 -5.789 12.712 3.776 1.00 0.00 C ATOM 147 CG2 VAL A 13 -3.509 11.710 3.604 1.00 0.00 C ATOM 0 H VAL A 13 -4.749 9.711 1.916 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.847 12.305 1.080 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.203 13.407 2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.434 13.231 4.666 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.536 13.325 3.272 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.236 11.761 4.065 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.244 12.278 4.496 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.875 10.726 3.896 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.629 11.597 2.971 1.00 0.00 H new ATOM 157 N LYS A 14 -3.421 12.672 -0.058 1.00 0.00 N ATOM 158 CA LYS A 14 -2.297 12.695 -0.992 1.00 0.00 C ATOM 159 C LYS A 14 -1.003 12.495 -0.208 1.00 0.00 C ATOM 160 O LYS A 14 -0.737 13.314 0.681 1.00 0.00 O ATOM 161 CB LYS A 14 -2.319 14.044 -1.717 1.00 0.00 C ATOM 162 CG LYS A 14 -1.130 14.243 -2.661 1.00 0.00 C ATOM 163 CD LYS A 14 -1.354 15.517 -3.462 1.00 0.00 C ATOM 164 CE LYS A 14 -0.238 15.730 -4.484 1.00 0.00 C ATOM 165 NZ LYS A 14 0.884 16.492 -3.908 1.00 0.00 N ATOM 0 H LYS A 14 -3.839 13.592 0.080 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.367 11.897 -1.731 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.244 14.127 -2.287 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.326 14.846 -0.978 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.203 14.312 -2.092 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.031 13.388 -3.330 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.315 15.464 -3.974 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.400 16.371 -2.786 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.121 14.764 -4.839 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.633 16.261 -5.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.624 16.619 -4.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.545 17.423 -3.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.276 15.973 -3.097 1.00 0.00 H new ATOM 179 N ILE A 15 -0.198 11.490 -0.551 1.00 0.00 N ATOM 180 CA ILE A 15 1.060 11.151 0.120 1.00 0.00 C ATOM 181 C ILE A 15 2.243 11.346 -0.844 1.00 0.00 C ATOM 182 O ILE A 15 2.284 10.690 -1.885 1.00 0.00 O ATOM 183 CB ILE A 15 1.002 9.692 0.637 1.00 0.00 C ATOM 184 CG1 ILE A 15 -0.178 9.468 1.610 1.00 0.00 C ATOM 185 CG2 ILE A 15 2.315 9.296 1.342 1.00 0.00 C ATOM 186 CD1 ILE A 15 -0.424 7.988 1.911 1.00 0.00 C ATOM 0 H ILE A 15 -0.410 10.867 -1.330 1.00 0.00 H new ATOM 0 HA ILE A 15 1.204 11.814 0.973 1.00 0.00 H new ATOM 0 HB ILE A 15 0.856 9.062 -0.241 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.021 9.996 2.543 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.082 9.903 1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.243 8.267 1.694 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.145 9.383 0.641 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.486 9.958 2.191 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.264 7.891 2.599 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.652 7.461 0.984 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.468 7.556 2.364 1.00 0.00 H new ATOM 198 N PRO A 16 3.218 12.221 -0.537 1.00 0.00 N ATOM 199 CA PRO A 16 4.363 12.427 -1.407 1.00 0.00 C ATOM 200 C PRO A 16 5.310 11.227 -1.345 1.00 0.00 C ATOM 201 O PRO A 16 5.422 10.550 -0.317 1.00 0.00 O ATOM 202 CB PRO A 16 5.042 13.707 -0.926 1.00 0.00 C ATOM 203 CG PRO A 16 4.628 13.829 0.539 1.00 0.00 C ATOM 204 CD PRO A 16 3.311 13.058 0.646 1.00 0.00 C ATOM 0 HA PRO A 16 4.062 12.523 -2.450 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.125 13.645 -1.029 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.716 14.571 -1.504 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.386 13.408 1.199 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.499 14.872 0.827 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.291 12.451 1.551 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.465 13.743 0.702 1.00 0.00 H new ATOM 212 N GLU A 17 6.032 11.009 -2.442 1.00 0.00 N ATOM 213 CA GLU A 17 7.006 9.943 -2.622 1.00 0.00 C ATOM 214 C GLU A 17 7.998 9.906 -1.451 1.00 0.00 C ATOM 215 O GLU A 17 8.335 10.939 -0.873 1.00 0.00 O ATOM 216 CB GLU A 17 7.713 10.186 -3.969 1.00 0.00 C ATOM 217 CG GLU A 17 8.910 9.262 -4.226 1.00 0.00 C ATOM 218 CD GLU A 17 9.707 9.596 -5.490 1.00 0.00 C ATOM 219 OE1 GLU A 17 9.168 10.205 -6.440 1.00 0.00 O ATOM 220 OE2 GLU A 17 10.928 9.295 -5.504 1.00 0.00 O ATOM 0 H GLU A 17 5.947 11.602 -3.268 1.00 0.00 H new ATOM 0 HA GLU A 17 6.516 8.969 -2.636 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.990 10.058 -4.774 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.052 11.221 -4.007 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.579 9.307 -3.367 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.552 8.235 -4.298 1.00 0.00 H new ATOM 227 N GLY A 18 8.474 8.713 -1.084 1.00 0.00 N ATOM 228 CA GLY A 18 9.438 8.522 -0.008 1.00 0.00 C ATOM 229 C GLY A 18 8.852 8.537 1.408 1.00 0.00 C ATOM 230 O GLY A 18 9.581 8.288 2.372 1.00 0.00 O ATOM 0 H GLY A 18 8.193 7.843 -1.536 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.946 7.570 -0.163 1.00 0.00 H new ATOM 0 HA3 GLY A 18 10.195 9.303 -0.078 1.00 0.00 H new ATOM 234 N THR A 19 7.558 8.807 1.558 1.00 0.00 N ATOM 235 CA THR A 19 6.890 8.859 2.856 1.00 0.00 C ATOM 236 C THR A 19 6.515 7.441 3.293 1.00 0.00 C ATOM 237 O THR A 19 6.262 6.574 2.452 1.00 0.00 O ATOM 238 CB THR A 19 5.650 9.765 2.749 1.00 0.00 C ATOM 239 OG1 THR A 19 6.018 11.041 2.267 1.00 0.00 O ATOM 240 CG2 THR A 19 4.927 9.987 4.081 1.00 0.00 C ATOM 0 H THR A 19 6.936 8.998 0.772 1.00 0.00 H new ATOM 0 HA THR A 19 7.556 9.278 3.611 1.00 0.00 H new ATOM 0 HB THR A 19 4.976 9.243 2.070 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.757 11.123 1.326 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.065 10.635 3.923 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.593 9.028 4.478 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.608 10.456 4.791 1.00 0.00 H new ATOM 248 N ILE A 20 6.488 7.196 4.605 1.00 0.00 N ATOM 249 CA ILE A 20 6.128 5.903 5.174 1.00 0.00 C ATOM 250 C ILE A 20 4.608 5.871 5.335 1.00 0.00 C ATOM 251 O ILE A 20 3.988 6.869 5.713 1.00 0.00 O ATOM 252 CB ILE A 20 6.853 5.692 6.518 1.00 0.00 C ATOM 253 CG1 ILE A 20 8.382 5.687 6.336 1.00 0.00 C ATOM 254 CG2 ILE A 20 6.388 4.421 7.252 1.00 0.00 C ATOM 255 CD1 ILE A 20 8.962 4.450 5.634 1.00 0.00 C ATOM 0 H ILE A 20 6.719 7.900 5.306 1.00 0.00 H new ATOM 0 HA ILE A 20 6.437 5.089 4.519 1.00 0.00 H new ATOM 0 HB ILE A 20 6.583 6.540 7.147 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.665 6.572 5.766 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.847 5.777 7.318 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.932 4.324 8.191 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.320 4.489 7.457 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.583 3.549 6.628 1.00 0.00 H new ATOM 0 HD11 ILE A 20 10.045 4.549 5.558 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.719 3.557 6.210 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.534 4.365 4.635 1.00 0.00 H new ATOM 267 N LEU A 21 4.003 4.719 5.075 1.00 0.00 N ATOM 268 CA LEU A 21 2.571 4.522 5.185 1.00 0.00 C ATOM 269 C LEU A 21 2.178 4.226 6.635 1.00 0.00 C ATOM 270 O LEU A 21 2.891 3.533 7.372 1.00 0.00 O ATOM 271 CB LEU A 21 2.132 3.383 4.254 1.00 0.00 C ATOM 272 CG LEU A 21 2.184 3.694 2.745 1.00 0.00 C ATOM 273 CD1 LEU A 21 1.790 2.444 1.955 1.00 0.00 C ATOM 274 CD2 LEU A 21 1.244 4.826 2.326 1.00 0.00 C ATOM 0 H LEU A 21 4.506 3.883 4.777 1.00 0.00 H new ATOM 0 HA LEU A 21 2.062 5.437 4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.763 2.516 4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.112 3.100 4.513 1.00 0.00 H new ATOM 0 HG LEU A 21 3.206 4.008 2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.826 2.662 0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.484 1.635 2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.779 2.143 2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.331 4.993 1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.217 4.555 2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.514 5.738 2.858 1.00 0.00 H new ATOM 286 N THR A 22 1.015 4.720 7.045 1.00 0.00 N ATOM 287 CA THR A 22 0.414 4.562 8.362 1.00 0.00 C ATOM 288 C THR A 22 -1.062 4.184 8.171 1.00 0.00 C ATOM 289 O THR A 22 -1.625 4.388 7.088 1.00 0.00 O ATOM 290 CB THR A 22 0.565 5.863 9.174 1.00 0.00 C ATOM 291 OG1 THR A 22 -0.076 6.938 8.517 1.00 0.00 O ATOM 292 CG2 THR A 22 2.034 6.228 9.418 1.00 0.00 C ATOM 0 H THR A 22 0.429 5.278 6.424 1.00 0.00 H new ATOM 0 HA THR A 22 0.917 3.774 8.922 1.00 0.00 H new ATOM 0 HB THR A 22 0.093 5.684 10.140 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.029 7.755 9.048 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.089 7.152 9.994 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.521 5.426 9.972 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.538 6.366 8.462 1.00 0.00 H new ATOM 300 N MET A 23 -1.708 3.643 9.210 1.00 0.00 N ATOM 301 CA MET A 23 -3.121 3.263 9.140 1.00 0.00 C ATOM 302 C MET A 23 -3.997 4.485 8.899 1.00 0.00 C ATOM 303 O MET A 23 -5.104 4.356 8.381 1.00 0.00 O ATOM 304 CB MET A 23 -3.606 2.630 10.458 1.00 0.00 C ATOM 305 CG MET A 23 -3.514 1.110 10.492 1.00 0.00 C ATOM 306 SD MET A 23 -4.398 0.280 9.139 1.00 0.00 S ATOM 307 CE MET A 23 -4.218 -1.424 9.723 1.00 0.00 C ATOM 0 H MET A 23 -1.271 3.458 10.113 1.00 0.00 H new ATOM 0 HA MET A 23 -3.203 2.548 8.321 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.018 3.037 11.281 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.641 2.924 10.630 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.464 0.820 10.457 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.911 0.754 11.443 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.031 -2.082 8.874 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.381 -1.484 10.419 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.133 -1.734 10.228 1.00 0.00 H new ATOM 317 N ASP A 24 -3.536 5.663 9.314 1.00 0.00 N ATOM 318 CA ASP A 24 -4.304 6.876 9.146 1.00 0.00 C ATOM 319 C ASP A 24 -4.427 7.299 7.688 1.00 0.00 C ATOM 320 O ASP A 24 -5.532 7.615 7.278 1.00 0.00 O ATOM 321 CB ASP A 24 -3.714 8.010 9.980 1.00 0.00 C ATOM 322 CG ASP A 24 -4.515 9.289 9.751 1.00 0.00 C ATOM 323 OD1 ASP A 24 -5.739 9.272 10.027 1.00 0.00 O ATOM 324 OD2 ASP A 24 -3.893 10.278 9.296 1.00 0.00 O ATOM 0 H ASP A 24 -2.632 5.794 9.769 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.311 6.658 9.501 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.731 7.744 11.037 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.671 8.169 9.708 1.00 0.00 H new ATOM 329 N MET A 25 -3.365 7.263 6.875 1.00 0.00 N ATOM 330 CA MET A 25 -3.472 7.711 5.484 1.00 0.00 C ATOM 331 C MET A 25 -3.918 6.571 4.556 1.00 0.00 C ATOM 332 O MET A 25 -3.705 6.631 3.343 1.00 0.00 O ATOM 333 CB MET A 25 -2.171 8.397 5.020 1.00 0.00 C ATOM 334 CG MET A 25 -1.521 9.353 6.030 1.00 0.00 C ATOM 335 SD MET A 25 0.064 10.074 5.510 1.00 0.00 S ATOM 336 CE MET A 25 1.143 8.613 5.519 1.00 0.00 C ATOM 0 H MET A 25 -2.439 6.935 7.150 1.00 0.00 H new ATOM 0 HA MET A 25 -4.256 8.466 5.428 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.447 7.624 4.763 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.382 8.953 4.106 1.00 0.00 H new ATOM 0 HG2 MET A 25 -2.219 10.164 6.239 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.367 8.816 6.966 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.181 8.927 5.413 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.021 8.076 6.460 1.00 0.00 H new ATOM 0 HE3 MET A 25 0.876 7.958 4.690 1.00 0.00 H new ATOM 346 N LEU A 26 -4.493 5.499 5.111 1.00 0.00 N ATOM 347 CA LEU A 26 -4.967 4.312 4.404 1.00 0.00 C ATOM 348 C LEU A 26 -6.421 4.054 4.748 1.00 0.00 C ATOM 349 O LEU A 26 -6.800 4.073 5.921 1.00 0.00 O ATOM 350 CB LEU A 26 -4.157 3.078 4.848 1.00 0.00 C ATOM 351 CG LEU A 26 -2.731 2.995 4.292 1.00 0.00 C ATOM 352 CD1 LEU A 26 -1.972 1.836 4.948 1.00 0.00 C ATOM 353 CD2 LEU A 26 -2.656 2.837 2.774 1.00 0.00 C ATOM 0 H LEU A 26 -4.647 5.436 6.117 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.850 4.481 3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.106 3.070 5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.699 2.181 4.548 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.271 3.954 4.533 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.961 1.788 4.544 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.925 1.995 6.025 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.490 0.899 4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.612 2.786 2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.167 1.921 2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.135 3.691 2.295 1.00 0.00 H new ATOM 365 N THR A 27 -7.237 3.787 3.737 1.00 0.00 N ATOM 366 CA THR A 27 -8.651 3.496 3.896 1.00 0.00 C ATOM 367 C THR A 27 -9.048 2.490 2.807 1.00 0.00 C ATOM 368 O THR A 27 -8.225 2.172 1.949 1.00 0.00 O ATOM 369 CB THR A 27 -9.426 4.826 3.941 1.00 0.00 C ATOM 370 OG1 THR A 27 -10.763 4.607 4.318 1.00 0.00 O ATOM 371 CG2 THR A 27 -9.426 5.629 2.643 1.00 0.00 C ATOM 0 H THR A 27 -6.926 3.767 2.766 1.00 0.00 H new ATOM 0 HA THR A 27 -8.903 3.009 4.838 1.00 0.00 H new ATOM 0 HB THR A 27 -8.887 5.421 4.678 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.240 5.463 4.343 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.999 6.546 2.782 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.401 5.879 2.370 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.879 5.036 1.848 1.00 0.00 H new ATOM 379 N VAL A 28 -10.278 1.970 2.813 1.00 0.00 N ATOM 380 CA VAL A 28 -10.732 0.983 1.832 1.00 0.00 C ATOM 381 C VAL A 28 -12.063 1.450 1.253 1.00 0.00 C ATOM 382 O VAL A 28 -13.111 1.342 1.902 1.00 0.00 O ATOM 383 CB VAL A 28 -10.803 -0.418 2.475 1.00 0.00 C ATOM 384 CG1 VAL A 28 -11.164 -1.518 1.464 1.00 0.00 C ATOM 385 CG2 VAL A 28 -9.492 -0.810 3.172 1.00 0.00 C ATOM 0 H VAL A 28 -10.988 2.223 3.500 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.023 0.898 1.008 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.598 -0.343 3.217 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -11.200 -2.482 1.972 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -12.138 -1.303 1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.411 -1.550 0.677 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.595 -1.804 3.608 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.680 -0.815 2.444 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.269 -0.090 3.959 1.00 0.00 H new ATOM 395 N LYS A 29 -12.014 2.039 0.056 1.00 0.00 N ATOM 396 CA LYS A 29 -13.199 2.536 -0.633 1.00 0.00 C ATOM 397 C LYS A 29 -14.076 1.368 -1.037 1.00 0.00 C ATOM 398 O LYS A 29 -13.577 0.391 -1.601 1.00 0.00 O ATOM 399 CB LYS A 29 -12.806 3.292 -1.912 1.00 0.00 C ATOM 400 CG LYS A 29 -12.269 4.705 -1.683 1.00 0.00 C ATOM 401 CD LYS A 29 -13.331 5.789 -1.518 1.00 0.00 C ATOM 402 CE LYS A 29 -13.725 5.930 -0.050 1.00 0.00 C ATOM 403 NZ LYS A 29 -14.684 7.028 0.161 1.00 0.00 N ATOM 0 H LYS A 29 -11.147 2.183 -0.461 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.729 3.206 0.044 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.050 2.713 -2.442 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -13.677 3.351 -2.564 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.641 4.697 -0.792 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.628 4.973 -2.523 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.950 6.740 -1.892 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.209 5.541 -2.114 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.162 4.995 0.299 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.832 6.108 0.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.925 7.089 1.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.258 7.925 -0.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.547 6.846 -0.390 1.00 0.00 H new ATOM 417 N VAL A 30 -15.367 1.463 -0.734 1.00 0.00 N ATOM 418 CA VAL A 30 -16.339 0.445 -1.087 1.00 0.00 C ATOM 419 C VAL A 30 -16.349 0.383 -2.617 1.00 0.00 C ATOM 420 O VAL A 30 -16.464 1.425 -3.264 1.00 0.00 O ATOM 421 CB VAL A 30 -17.704 0.768 -0.444 1.00 0.00 C ATOM 422 CG1 VAL A 30 -17.582 0.622 1.085 1.00 0.00 C ATOM 423 CG2 VAL A 30 -18.270 2.156 -0.774 1.00 0.00 C ATOM 0 H VAL A 30 -15.767 2.256 -0.233 1.00 0.00 H new ATOM 0 HA VAL A 30 -16.088 -0.543 -0.702 1.00 0.00 H new ATOM 0 HB VAL A 30 -18.410 0.056 -0.872 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -18.542 0.848 1.550 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -17.291 -0.399 1.331 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -16.826 1.314 1.457 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -19.230 2.285 -0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -17.576 2.923 -0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -18.406 2.247 -1.852 1.00 0.00 H new ATOM 433 N GLY A 31 -16.146 -0.803 -3.188 1.00 0.00 N ATOM 434 CA GLY A 31 -16.108 -0.986 -4.627 1.00 0.00 C ATOM 435 C GLY A 31 -15.532 -2.357 -4.946 1.00 0.00 C ATOM 436 O GLY A 31 -15.907 -3.344 -4.305 1.00 0.00 O ATOM 0 H GLY A 31 -16.003 -1.663 -2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -17.111 -0.895 -5.043 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.500 -0.208 -5.088 1.00 0.00 H new ATOM 440 N GLU A 32 -14.606 -2.422 -5.898 1.00 0.00 N ATOM 441 CA GLU A 32 -13.965 -3.663 -6.332 1.00 0.00 C ATOM 442 C GLU A 32 -12.578 -3.865 -5.708 1.00 0.00 C ATOM 443 O GLU A 32 -11.913 -2.878 -5.374 1.00 0.00 O ATOM 444 CB GLU A 32 -13.891 -3.678 -7.865 1.00 0.00 C ATOM 445 CG GLU A 32 -12.976 -2.604 -8.484 1.00 0.00 C ATOM 446 CD GLU A 32 -13.608 -1.960 -9.716 1.00 0.00 C ATOM 447 OE1 GLU A 32 -14.105 -2.683 -10.608 1.00 0.00 O ATOM 448 OE2 GLU A 32 -13.700 -0.708 -9.745 1.00 0.00 O ATOM 0 H GLU A 32 -14.273 -1.599 -6.400 1.00 0.00 H new ATOM 0 HA GLU A 32 -14.572 -4.498 -5.983 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.543 -4.659 -8.187 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.897 -3.550 -8.263 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.764 -1.835 -7.741 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.022 -3.054 -8.758 1.00 0.00 H new ATOM 455 N PRO A 33 -12.084 -5.112 -5.608 1.00 0.00 N ATOM 456 CA PRO A 33 -10.780 -5.441 -5.041 1.00 0.00 C ATOM 457 C PRO A 33 -9.641 -5.192 -6.056 1.00 0.00 C ATOM 458 O PRO A 33 -8.856 -6.092 -6.362 1.00 0.00 O ATOM 459 CB PRO A 33 -10.914 -6.908 -4.612 1.00 0.00 C ATOM 460 CG PRO A 33 -11.805 -7.487 -5.702 1.00 0.00 C ATOM 461 CD PRO A 33 -12.782 -6.342 -5.961 1.00 0.00 C ATOM 0 HA PRO A 33 -10.510 -4.811 -4.194 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.947 -7.409 -4.569 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.366 -7.003 -3.625 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.238 -7.748 -6.595 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.316 -8.392 -5.373 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -13.092 -6.326 -7.006 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -13.685 -6.460 -5.363 1.00 0.00 H new ATOM 469 N LYS A 34 -9.582 -3.995 -6.657 1.00 0.00 N ATOM 470 CA LYS A 34 -8.540 -3.645 -7.627 1.00 0.00 C ATOM 471 C LYS A 34 -7.198 -3.445 -6.922 1.00 0.00 C ATOM 472 O LYS A 34 -6.204 -4.085 -7.256 1.00 0.00 O ATOM 473 CB LYS A 34 -8.931 -2.435 -8.505 1.00 0.00 C ATOM 474 CG LYS A 34 -9.482 -1.183 -7.788 1.00 0.00 C ATOM 475 CD LYS A 34 -9.453 0.033 -8.720 1.00 0.00 C ATOM 476 CE LYS A 34 -9.999 1.286 -8.029 1.00 0.00 C ATOM 477 NZ LYS A 34 -9.595 2.515 -8.740 1.00 0.00 N ATOM 0 H LYS A 34 -10.253 -3.247 -6.484 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.433 -4.483 -8.316 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.052 -2.136 -9.077 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.680 -2.768 -9.223 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.503 -1.368 -7.456 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.889 -0.978 -6.897 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.430 0.215 -9.050 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.043 -0.177 -9.612 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.087 1.232 -7.982 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.637 1.323 -7.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.359 3.218 -8.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.734 2.902 -8.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.407 2.293 -9.738 1.00 0.00 H new ATOM 491 N GLY A 35 -7.175 -2.539 -5.948 1.00 0.00 N ATOM 492 CA GLY A 35 -6.014 -2.196 -5.150 1.00 0.00 C ATOM 493 C GLY A 35 -5.634 -3.306 -4.191 1.00 0.00 C ATOM 494 O GLY A 35 -6.175 -4.412 -4.239 1.00 0.00 O ATOM 0 H GLY A 35 -8.003 -2.004 -5.687 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.172 -1.982 -5.809 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.218 -1.285 -4.587 1.00 0.00 H new ATOM 498 N TYR A 36 -4.721 -2.977 -3.286 1.00 0.00 N ATOM 499 CA TYR A 36 -4.242 -3.907 -2.284 1.00 0.00 C ATOM 500 C TYR A 36 -5.400 -4.458 -1.433 1.00 0.00 C ATOM 501 O TYR A 36 -6.315 -3.685 -1.119 1.00 0.00 O ATOM 502 CB TYR A 36 -3.247 -3.162 -1.395 1.00 0.00 C ATOM 503 CG TYR A 36 -2.285 -4.090 -0.725 1.00 0.00 C ATOM 504 CD1 TYR A 36 -1.296 -4.688 -1.516 1.00 0.00 C ATOM 505 CD2 TYR A 36 -2.385 -4.380 0.644 1.00 0.00 C ATOM 506 CE1 TYR A 36 -0.372 -5.564 -0.939 1.00 0.00 C ATOM 507 CE2 TYR A 36 -1.454 -5.251 1.226 1.00 0.00 C ATOM 508 CZ TYR A 36 -0.459 -5.864 0.438 1.00 0.00 C ATOM 509 OH TYR A 36 0.438 -6.702 1.025 1.00 0.00 O ATOM 0 H TYR A 36 -4.293 -2.053 -3.230 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.766 -4.757 -2.772 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.694 -2.440 -1.996 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.791 -2.596 -0.638 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.247 -4.472 -2.573 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.169 -3.938 1.241 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.405 -6.009 -1.543 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.499 -5.454 2.286 1.00 0.00 H new ATOM 0 HH TYR A 36 0.382 -6.610 1.999 1.00 0.00 H new ATOM 519 N PRO A 37 -5.363 -5.735 -1.008 1.00 0.00 N ATOM 520 CA PRO A 37 -6.415 -6.327 -0.196 1.00 0.00 C ATOM 521 C PRO A 37 -6.527 -5.659 1.178 1.00 0.00 C ATOM 522 O PRO A 37 -5.510 -5.373 1.817 1.00 0.00 O ATOM 523 CB PRO A 37 -6.051 -7.806 -0.015 1.00 0.00 C ATOM 524 CG PRO A 37 -4.554 -7.855 -0.301 1.00 0.00 C ATOM 525 CD PRO A 37 -4.358 -6.739 -1.319 1.00 0.00 C ATOM 0 HA PRO A 37 -7.377 -6.196 -0.691 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.276 -8.152 0.994 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.610 -8.442 -0.702 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.966 -7.685 0.601 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.252 -8.823 -0.701 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.354 -6.321 -1.251 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.480 -7.112 -2.336 1.00 0.00 H new ATOM 533 N PRO A 38 -7.752 -5.489 1.701 1.00 0.00 N ATOM 534 CA PRO A 38 -7.996 -4.893 3.008 1.00 0.00 C ATOM 535 C PRO A 38 -7.706 -5.880 4.158 1.00 0.00 C ATOM 536 O PRO A 38 -8.037 -5.584 5.307 1.00 0.00 O ATOM 537 CB PRO A 38 -9.462 -4.462 2.945 1.00 0.00 C ATOM 538 CG PRO A 38 -10.106 -5.533 2.077 1.00 0.00 C ATOM 539 CD PRO A 38 -9.014 -5.794 1.042 1.00 0.00 C ATOM 0 HA PRO A 38 -7.335 -4.053 3.219 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -9.913 -4.424 3.937 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -9.571 -3.470 2.507 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.351 -6.429 2.647 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.031 -5.185 1.617 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.037 -6.830 0.704 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.155 -5.168 0.161 1.00 0.00 H new ATOM 547 N GLU A 39 -7.135 -7.051 3.853 1.00 0.00 N ATOM 548 CA GLU A 39 -6.769 -8.107 4.792 1.00 0.00 C ATOM 549 C GLU A 39 -5.303 -7.956 5.197 1.00 0.00 C ATOM 550 O GLU A 39 -4.968 -8.090 6.371 1.00 0.00 O ATOM 551 CB GLU A 39 -6.905 -9.481 4.115 1.00 0.00 C ATOM 552 CG GLU A 39 -8.315 -9.877 3.680 1.00 0.00 C ATOM 553 CD GLU A 39 -9.258 -9.954 4.876 1.00 0.00 C ATOM 554 OE1 GLU A 39 -9.334 -11.011 5.541 1.00 0.00 O ATOM 555 OE2 GLU A 39 -9.935 -8.934 5.153 1.00 0.00 O ATOM 0 H GLU A 39 -6.905 -7.297 2.890 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.426 -8.032 5.659 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.258 -9.497 3.238 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.531 -10.241 4.801 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.694 -9.151 2.960 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.285 -10.842 3.174 1.00 0.00 H new ATOM 562 N ASP A 40 -4.422 -7.672 4.230 1.00 0.00 N ATOM 563 CA ASP A 40 -2.982 -7.507 4.452 1.00 0.00 C ATOM 564 C ASP A 40 -2.620 -6.038 4.658 1.00 0.00 C ATOM 565 O ASP A 40 -1.441 -5.699 4.719 1.00 0.00 O ATOM 566 CB ASP A 40 -2.170 -8.136 3.299 1.00 0.00 C ATOM 567 CG ASP A 40 -1.956 -9.631 3.505 1.00 0.00 C ATOM 568 OD1 ASP A 40 -1.540 -10.024 4.620 1.00 0.00 O ATOM 569 OD2 ASP A 40 -2.232 -10.417 2.568 1.00 0.00 O ATOM 0 H ASP A 40 -4.695 -7.549 3.255 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.719 -8.037 5.367 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.690 -7.970 2.356 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.203 -7.638 3.222 1.00 0.00 H new ATOM 574 N ILE A 41 -3.615 -5.155 4.787 1.00 0.00 N ATOM 575 CA ILE A 41 -3.481 -3.710 4.996 1.00 0.00 C ATOM 576 C ILE A 41 -2.439 -3.382 6.077 1.00 0.00 C ATOM 577 O ILE A 41 -1.686 -2.419 5.943 1.00 0.00 O ATOM 578 CB ILE A 41 -4.879 -3.100 5.275 1.00 0.00 C ATOM 579 CG1 ILE A 41 -4.793 -1.563 5.414 1.00 0.00 C ATOM 580 CG2 ILE A 41 -5.576 -3.751 6.489 1.00 0.00 C ATOM 581 CD1 ILE A 41 -6.153 -0.861 5.532 1.00 0.00 C ATOM 0 H ILE A 41 -4.592 -5.446 4.746 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.095 -3.246 4.088 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.506 -3.322 4.412 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.196 -1.323 6.294 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.264 -1.161 4.550 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.551 -3.287 6.641 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.706 -4.817 6.305 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.964 -3.608 7.380 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.001 0.214 5.626 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.747 -1.067 4.642 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.678 -1.231 6.413 1.00 0.00 H new ATOM 593 N PHE A 42 -2.346 -4.210 7.119 1.00 0.00 N ATOM 594 CA PHE A 42 -1.414 -4.066 8.231 1.00 0.00 C ATOM 595 C PHE A 42 0.046 -4.083 7.769 1.00 0.00 C ATOM 596 O PHE A 42 0.913 -3.570 8.476 1.00 0.00 O ATOM 597 CB PHE A 42 -1.662 -5.207 9.226 1.00 0.00 C ATOM 598 CG PHE A 42 -3.125 -5.382 9.582 1.00 0.00 C ATOM 599 CD1 PHE A 42 -3.720 -4.567 10.562 1.00 0.00 C ATOM 600 CD2 PHE A 42 -3.917 -6.303 8.869 1.00 0.00 C ATOM 601 CE1 PHE A 42 -5.100 -4.654 10.808 1.00 0.00 C ATOM 602 CE2 PHE A 42 -5.296 -6.384 9.120 1.00 0.00 C ATOM 603 CZ PHE A 42 -5.889 -5.561 10.086 1.00 0.00 C ATOM 0 H PHE A 42 -2.944 -5.031 7.212 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.587 -3.098 8.702 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.284 -6.138 8.803 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.094 -5.016 10.136 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.115 -3.873 11.126 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.464 -6.947 8.130 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.555 -4.021 11.555 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.903 -7.084 8.565 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.951 -5.625 10.274 1.00 0.00 H new ATOM 613 N ASN A 43 0.351 -4.703 6.625 1.00 0.00 N ATOM 614 CA ASN A 43 1.699 -4.777 6.069 1.00 0.00 C ATOM 615 C ASN A 43 2.058 -3.461 5.402 1.00 0.00 C ATOM 616 O ASN A 43 3.214 -3.049 5.495 1.00 0.00 O ATOM 617 CB ASN A 43 1.831 -5.897 5.035 1.00 0.00 C ATOM 618 CG ASN A 43 1.766 -7.265 5.680 1.00 0.00 C ATOM 619 OD1 ASN A 43 2.551 -7.573 6.576 1.00 0.00 O ATOM 620 ND2 ASN A 43 0.815 -8.081 5.274 1.00 0.00 N ATOM 0 H ASN A 43 -0.348 -5.175 6.051 1.00 0.00 H new ATOM 0 HA ASN A 43 2.376 -4.986 6.897 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.035 -5.805 4.296 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.776 -5.791 4.502 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.713 -9.000 5.705 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.181 -7.794 4.528 1.00 0.00 H new ATOM 627 N LEU A 44 1.087 -2.796 4.756 1.00 0.00 N ATOM 628 CA LEU A 44 1.316 -1.513 4.093 1.00 0.00 C ATOM 629 C LEU A 44 1.850 -0.541 5.127 1.00 0.00 C ATOM 630 O LEU A 44 2.737 0.246 4.825 1.00 0.00 O ATOM 631 CB LEU A 44 0.033 -0.922 3.487 1.00 0.00 C ATOM 632 CG LEU A 44 -0.510 -1.668 2.265 1.00 0.00 C ATOM 633 CD1 LEU A 44 -1.897 -1.119 1.925 1.00 0.00 C ATOM 634 CD2 LEU A 44 0.393 -1.479 1.046 1.00 0.00 C ATOM 0 H LEU A 44 0.128 -3.135 4.682 1.00 0.00 H new ATOM 0 HA LEU A 44 2.020 -1.676 3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.739 -0.905 4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.226 0.113 3.206 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.552 -2.730 2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.293 -1.644 1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.565 -1.267 2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.823 -0.054 1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.023 -2.022 0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.457 -0.419 0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.389 -1.861 1.268 1.00 0.00 H new ATOM 646 N VAL A 45 1.290 -0.585 6.335 1.00 0.00 N ATOM 647 CA VAL A 45 1.665 0.234 7.470 1.00 0.00 C ATOM 648 C VAL A 45 3.134 -0.095 7.754 1.00 0.00 C ATOM 649 O VAL A 45 3.452 -1.174 8.260 1.00 0.00 O ATOM 650 CB VAL A 45 0.717 -0.081 8.643 1.00 0.00 C ATOM 651 CG1 VAL A 45 1.052 0.715 9.910 1.00 0.00 C ATOM 652 CG2 VAL A 45 -0.748 0.177 8.265 1.00 0.00 C ATOM 0 H VAL A 45 0.527 -1.226 6.552 1.00 0.00 H new ATOM 0 HA VAL A 45 1.573 1.305 7.292 1.00 0.00 H new ATOM 0 HB VAL A 45 0.860 -1.140 8.858 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.351 0.451 10.702 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.067 0.479 10.230 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.977 1.782 9.700 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.389 -0.055 9.115 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.874 1.224 7.991 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.022 -0.455 7.420 1.00 0.00 H new ATOM 662 N GLY A 46 4.026 0.821 7.376 1.00 0.00 N ATOM 663 CA GLY A 46 5.463 0.699 7.543 1.00 0.00 C ATOM 664 C GLY A 46 6.225 0.715 6.221 1.00 0.00 C ATOM 665 O GLY A 46 7.447 0.857 6.261 1.00 0.00 O ATOM 0 H GLY A 46 3.752 1.697 6.930 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.820 1.516 8.171 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.684 -0.229 8.071 1.00 0.00 H new ATOM 669 N LYS A 47 5.561 0.531 5.074 1.00 0.00 N ATOM 670 CA LYS A 47 6.228 0.551 3.770 1.00 0.00 C ATOM 671 C LYS A 47 6.416 1.996 3.351 1.00 0.00 C ATOM 672 O LYS A 47 5.805 2.896 3.933 1.00 0.00 O ATOM 673 CB LYS A 47 5.423 -0.186 2.689 1.00 0.00 C ATOM 674 CG LYS A 47 5.290 -1.679 2.984 1.00 0.00 C ATOM 675 CD LYS A 47 4.889 -2.446 1.721 1.00 0.00 C ATOM 676 CE LYS A 47 4.750 -3.930 2.056 1.00 0.00 C ATOM 677 NZ LYS A 47 4.386 -4.728 0.873 1.00 0.00 N ATOM 0 H LYS A 47 4.556 0.366 5.024 1.00 0.00 H new ATOM 0 HA LYS A 47 7.184 0.037 3.870 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.430 0.257 2.613 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.908 -0.050 1.722 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.235 -2.065 3.365 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.544 -1.836 3.763 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.948 -2.060 1.330 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.639 -2.306 0.943 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.689 -4.299 2.468 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.991 -4.058 2.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.301 -5.729 1.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.477 -4.393 0.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.122 -4.626 0.146 1.00 0.00 H new ATOM 691 N LYS A 48 7.207 2.229 2.313 1.00 0.00 N ATOM 692 CA LYS A 48 7.487 3.548 1.784 1.00 0.00 C ATOM 693 C LYS A 48 6.919 3.657 0.379 1.00 0.00 C ATOM 694 O LYS A 48 7.008 2.697 -0.387 1.00 0.00 O ATOM 695 CB LYS A 48 9.008 3.733 1.783 1.00 0.00 C ATOM 696 CG LYS A 48 9.359 5.207 1.604 1.00 0.00 C ATOM 697 CD LYS A 48 10.870 5.426 1.549 1.00 0.00 C ATOM 698 CE LYS A 48 11.526 5.339 2.931 1.00 0.00 C ATOM 699 NZ LYS A 48 11.516 6.656 3.594 1.00 0.00 N ATOM 0 H LYS A 48 7.682 1.483 1.805 1.00 0.00 H new ATOM 0 HA LYS A 48 7.026 4.327 2.391 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.427 3.363 2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.453 3.146 0.980 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.904 5.581 0.687 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.937 5.784 2.427 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.318 4.682 0.890 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.077 6.403 1.113 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.996 4.612 3.546 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.552 4.984 2.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.168 6.551 4.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.481 7.044 3.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.892 7.303 3.071 1.00 0.00 H new ATOM 713 N VAL A 49 6.299 4.787 0.037 1.00 0.00 N ATOM 714 CA VAL A 49 5.765 4.966 -1.311 1.00 0.00 C ATOM 715 C VAL A 49 6.943 5.206 -2.266 1.00 0.00 C ATOM 716 O VAL A 49 7.992 5.737 -1.871 1.00 0.00 O ATOM 717 CB VAL A 49 4.736 6.116 -1.386 1.00 0.00 C ATOM 718 CG1 VAL A 49 3.365 5.641 -0.900 1.00 0.00 C ATOM 719 CG2 VAL A 49 5.092 7.366 -0.593 1.00 0.00 C ATOM 0 H VAL A 49 6.156 5.579 0.664 1.00 0.00 H new ATOM 0 HA VAL A 49 5.225 4.065 -1.603 1.00 0.00 H new ATOM 0 HB VAL A 49 4.731 6.394 -2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.653 6.464 -0.960 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.022 4.818 -1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.442 5.302 0.133 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.305 8.110 -0.714 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.192 7.111 0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.035 7.773 -0.959 1.00 0.00 H new ATOM 729 N LEU A 50 6.767 4.828 -3.530 1.00 0.00 N ATOM 730 CA LEU A 50 7.745 4.951 -4.607 1.00 0.00 C ATOM 731 C LEU A 50 7.499 6.145 -5.523 1.00 0.00 C ATOM 732 O LEU A 50 8.411 6.502 -6.270 1.00 0.00 O ATOM 733 CB LEU A 50 7.754 3.644 -5.416 1.00 0.00 C ATOM 734 CG LEU A 50 8.712 2.617 -4.791 1.00 0.00 C ATOM 735 CD1 LEU A 50 8.397 1.224 -5.321 1.00 0.00 C ATOM 736 CD2 LEU A 50 10.174 2.945 -5.125 1.00 0.00 C ATOM 0 H LEU A 50 5.894 4.406 -3.846 1.00 0.00 H new ATOM 0 HA LEU A 50 8.718 5.130 -4.148 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.747 3.230 -5.456 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.055 3.850 -6.443 1.00 0.00 H new ATOM 0 HG LEU A 50 8.576 2.653 -3.710 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.080 0.502 -4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.371 0.961 -5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.515 1.212 -6.405 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.827 2.201 -4.669 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.311 2.935 -6.206 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.423 3.933 -4.737 1.00 0.00 H new ATOM 748 N VAL A 51 6.324 6.767 -5.456 1.00 0.00 N ATOM 749 CA VAL A 51 5.900 7.922 -6.232 1.00 0.00 C ATOM 750 C VAL A 51 4.881 8.712 -5.388 1.00 0.00 C ATOM 751 O VAL A 51 4.379 8.222 -4.375 1.00 0.00 O ATOM 752 CB VAL A 51 5.298 7.480 -7.589 1.00 0.00 C ATOM 753 CG1 VAL A 51 6.360 6.971 -8.577 1.00 0.00 C ATOM 754 CG2 VAL A 51 4.194 6.424 -7.480 1.00 0.00 C ATOM 0 H VAL A 51 5.596 6.453 -4.814 1.00 0.00 H new ATOM 0 HA VAL A 51 6.753 8.560 -6.463 1.00 0.00 H new ATOM 0 HB VAL A 51 4.850 8.398 -7.969 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.878 6.676 -9.509 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.081 7.764 -8.776 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.875 6.112 -8.147 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.830 6.174 -8.477 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.593 5.528 -7.004 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.372 6.817 -6.882 1.00 0.00 H new ATOM 764 N THR A 52 4.610 9.962 -5.753 1.00 0.00 N ATOM 765 CA THR A 52 3.640 10.803 -5.056 1.00 0.00 C ATOM 766 C THR A 52 2.228 10.309 -5.396 1.00 0.00 C ATOM 767 O THR A 52 1.748 10.520 -6.511 1.00 0.00 O ATOM 768 CB THR A 52 3.887 12.275 -5.420 1.00 0.00 C ATOM 769 OG1 THR A 52 5.110 12.655 -4.809 1.00 0.00 O ATOM 770 CG2 THR A 52 2.797 13.247 -4.946 1.00 0.00 C ATOM 0 H THR A 52 5.059 10.423 -6.544 1.00 0.00 H new ATOM 0 HA THR A 52 3.751 10.733 -3.974 1.00 0.00 H new ATOM 0 HB THR A 52 3.897 12.339 -6.508 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.304 13.592 -5.020 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.058 14.261 -5.248 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.842 12.969 -5.393 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.716 13.202 -3.860 1.00 0.00 H new ATOM 778 N VAL A 53 1.608 9.582 -4.467 1.00 0.00 N ATOM 779 CA VAL A 53 0.263 9.042 -4.603 1.00 0.00 C ATOM 780 C VAL A 53 -0.719 10.196 -4.335 1.00 0.00 C ATOM 781 O VAL A 53 -0.451 11.073 -3.508 1.00 0.00 O ATOM 782 CB VAL A 53 0.086 7.857 -3.623 1.00 0.00 C ATOM 783 CG1 VAL A 53 -1.314 7.246 -3.716 1.00 0.00 C ATOM 784 CG2 VAL A 53 1.089 6.711 -3.854 1.00 0.00 C ATOM 0 H VAL A 53 2.043 9.348 -3.575 1.00 0.00 H new ATOM 0 HA VAL A 53 0.073 8.648 -5.601 1.00 0.00 H new ATOM 0 HB VAL A 53 0.260 8.297 -2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.397 6.418 -3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.059 8.004 -3.473 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.485 6.880 -4.729 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.906 5.916 -3.131 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.967 6.319 -4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.105 7.086 -3.730 1.00 0.00 H new ATOM 794 N GLU A 54 -1.850 10.227 -5.043 1.00 0.00 N ATOM 795 CA GLU A 54 -2.880 11.252 -4.889 1.00 0.00 C ATOM 796 C GLU A 54 -3.882 10.833 -3.807 1.00 0.00 C ATOM 797 O GLU A 54 -3.789 9.760 -3.209 1.00 0.00 O ATOM 798 CB GLU A 54 -3.614 11.426 -6.234 1.00 0.00 C ATOM 799 CG GLU A 54 -2.786 12.130 -7.317 1.00 0.00 C ATOM 800 CD GLU A 54 -2.654 13.643 -7.124 1.00 0.00 C ATOM 801 OE1 GLU A 54 -3.078 14.202 -6.090 1.00 0.00 O ATOM 802 OE2 GLU A 54 -2.122 14.299 -8.052 1.00 0.00 O ATOM 0 H GLU A 54 -2.078 9.528 -5.750 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.416 12.193 -4.592 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.912 10.444 -6.602 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.528 11.995 -6.065 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.789 11.690 -7.339 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.241 11.938 -8.289 1.00 0.00 H new ATOM 809 N GLU A 55 -4.819 11.715 -3.477 1.00 0.00 N ATOM 810 CA GLU A 55 -5.860 11.417 -2.503 1.00 0.00 C ATOM 811 C GLU A 55 -6.883 10.529 -3.225 1.00 0.00 C ATOM 812 O GLU A 55 -7.173 10.764 -4.400 1.00 0.00 O ATOM 813 CB GLU A 55 -6.525 12.721 -2.033 1.00 0.00 C ATOM 814 CG GLU A 55 -7.764 12.450 -1.161 1.00 0.00 C ATOM 815 CD GLU A 55 -8.441 13.730 -0.689 1.00 0.00 C ATOM 816 OE1 GLU A 55 -8.848 14.539 -1.556 1.00 0.00 O ATOM 817 OE2 GLU A 55 -8.662 13.911 0.528 1.00 0.00 O ATOM 0 H GLU A 55 -4.878 12.652 -3.876 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.455 10.917 -1.624 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.805 13.313 -1.467 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.814 13.315 -2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.479 11.853 -1.728 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.471 11.858 -0.294 1.00 0.00 H new ATOM 824 N ASP A 56 -7.472 9.548 -2.534 1.00 0.00 N ATOM 825 CA ASP A 56 -8.493 8.622 -3.063 1.00 0.00 C ATOM 826 C ASP A 56 -7.922 7.635 -4.090 1.00 0.00 C ATOM 827 O ASP A 56 -8.642 6.780 -4.608 1.00 0.00 O ATOM 828 CB ASP A 56 -9.693 9.413 -3.647 1.00 0.00 C ATOM 829 CG ASP A 56 -11.052 8.933 -3.156 1.00 0.00 C ATOM 830 OD1 ASP A 56 -11.299 9.068 -1.930 1.00 0.00 O ATOM 831 OD2 ASP A 56 -11.929 8.562 -3.972 1.00 0.00 O ATOM 0 H ASP A 56 -7.247 9.366 -1.556 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.846 8.020 -2.226 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.578 10.467 -3.393 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.666 9.343 -4.734 1.00 0.00 H new ATOM 836 N ASP A 57 -6.626 7.752 -4.379 1.00 0.00 N ATOM 837 CA ASP A 57 -5.860 6.955 -5.329 1.00 0.00 C ATOM 838 C ASP A 57 -5.737 5.512 -4.856 1.00 0.00 C ATOM 839 O ASP A 57 -5.766 5.232 -3.655 1.00 0.00 O ATOM 840 CB ASP A 57 -4.475 7.580 -5.458 1.00 0.00 C ATOM 841 CG ASP A 57 -3.768 7.332 -6.782 1.00 0.00 C ATOM 842 OD1 ASP A 57 -4.291 6.574 -7.629 1.00 0.00 O ATOM 843 OD2 ASP A 57 -2.701 7.956 -6.991 1.00 0.00 O ATOM 0 H ASP A 57 -6.046 8.456 -3.922 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.369 6.945 -6.293 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.565 8.656 -5.310 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.847 7.199 -4.653 1.00 0.00 H new ATOM 848 N THR A 58 -5.615 4.583 -5.791 1.00 0.00 N ATOM 849 CA THR A 58 -5.516 3.162 -5.496 1.00 0.00 C ATOM 850 C THR A 58 -4.087 2.800 -5.085 1.00 0.00 C ATOM 851 O THR A 58 -3.128 3.126 -5.781 1.00 0.00 O ATOM 852 CB THR A 58 -6.000 2.355 -6.712 1.00 0.00 C ATOM 853 OG1 THR A 58 -7.242 2.846 -7.192 1.00 0.00 O ATOM 854 CG2 THR A 58 -6.219 0.888 -6.330 1.00 0.00 C ATOM 0 H THR A 58 -5.582 4.797 -6.788 1.00 0.00 H new ATOM 0 HA THR A 58 -6.158 2.911 -4.651 1.00 0.00 H new ATOM 0 HB THR A 58 -5.231 2.450 -7.479 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.081 3.529 -7.876 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.561 0.332 -7.203 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.282 0.461 -5.973 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.970 0.825 -5.542 1.00 0.00 H new ATOM 862 N ILE A 59 -3.923 2.135 -3.936 1.00 0.00 N ATOM 863 CA ILE A 59 -2.598 1.733 -3.477 1.00 0.00 C ATOM 864 C ILE A 59 -2.264 0.398 -4.143 1.00 0.00 C ATOM 865 O ILE A 59 -2.731 -0.654 -3.698 1.00 0.00 O ATOM 866 CB ILE A 59 -2.499 1.704 -1.930 1.00 0.00 C ATOM 867 CG1 ILE A 59 -2.616 3.129 -1.333 1.00 0.00 C ATOM 868 CG2 ILE A 59 -1.197 1.040 -1.428 1.00 0.00 C ATOM 869 CD1 ILE A 59 -1.378 4.021 -1.525 1.00 0.00 C ATOM 0 H ILE A 59 -4.687 1.868 -3.315 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.850 2.469 -3.773 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.337 1.098 -1.587 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.475 3.625 -1.784 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.821 3.043 -0.266 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.182 1.048 -0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.153 0.011 -1.784 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.337 1.593 -1.807 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.559 4.996 -1.073 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.516 3.554 -1.049 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.181 4.145 -2.590 1.00 0.00 H new ATOM 881 N MET A 60 -1.526 0.451 -5.251 1.00 0.00 N ATOM 882 CA MET A 60 -1.077 -0.733 -5.971 1.00 0.00 C ATOM 883 C MET A 60 0.188 -1.230 -5.259 1.00 0.00 C ATOM 884 O MET A 60 0.765 -0.561 -4.396 1.00 0.00 O ATOM 885 CB MET A 60 -0.762 -0.418 -7.444 1.00 0.00 C ATOM 886 CG MET A 60 -1.953 -0.005 -8.309 1.00 0.00 C ATOM 887 SD MET A 60 -2.777 -1.337 -9.227 1.00 0.00 S ATOM 888 CE MET A 60 -3.368 -2.367 -7.877 1.00 0.00 C ATOM 0 H MET A 60 -1.222 1.327 -5.676 1.00 0.00 H new ATOM 0 HA MET A 60 -1.862 -1.489 -5.972 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.022 0.381 -7.474 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.300 -1.297 -7.892 1.00 0.00 H new ATOM 0 HG2 MET A 60 -2.691 0.477 -7.668 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.614 0.745 -9.024 1.00 0.00 H new ATOM 0 HE1 MET A 60 -4.220 -2.957 -8.215 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.570 -3.035 -7.552 1.00 0.00 H new ATOM 0 HE3 MET A 60 -3.673 -1.734 -7.043 1.00 0.00 H new ATOM 898 N GLU A 61 0.652 -2.414 -5.627 1.00 0.00 N ATOM 899 CA GLU A 61 1.834 -3.067 -5.067 1.00 0.00 C ATOM 900 C GLU A 61 3.094 -2.416 -5.628 1.00 0.00 C ATOM 901 O GLU A 61 4.091 -2.256 -4.931 1.00 0.00 O ATOM 902 CB GLU A 61 1.790 -4.573 -5.367 1.00 0.00 C ATOM 903 CG GLU A 61 0.474 -5.271 -4.964 1.00 0.00 C ATOM 904 CD GLU A 61 -0.751 -4.837 -5.792 1.00 0.00 C ATOM 905 OE1 GLU A 61 -0.591 -4.606 -7.018 1.00 0.00 O ATOM 906 OE2 GLU A 61 -1.842 -4.608 -5.226 1.00 0.00 O ATOM 0 H GLU A 61 0.201 -2.972 -6.352 1.00 0.00 H new ATOM 0 HA GLU A 61 1.847 -2.945 -3.984 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.953 -4.722 -6.434 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.617 -5.058 -4.848 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.602 -6.349 -5.064 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.277 -5.069 -3.911 1.00 0.00 H new ATOM 913 N GLU A 62 3.040 -1.988 -6.887 1.00 0.00 N ATOM 914 CA GLU A 62 4.155 -1.332 -7.551 1.00 0.00 C ATOM 915 C GLU A 62 4.488 0.009 -6.888 1.00 0.00 C ATOM 916 O GLU A 62 5.652 0.400 -6.874 1.00 0.00 O ATOM 917 CB GLU A 62 3.835 -1.185 -9.045 1.00 0.00 C ATOM 918 CG GLU A 62 2.575 -0.357 -9.362 1.00 0.00 C ATOM 919 CD GLU A 62 1.811 -0.978 -10.530 1.00 0.00 C ATOM 920 OE1 GLU A 62 2.291 -0.876 -11.684 1.00 0.00 O ATOM 921 OE2 GLU A 62 0.784 -1.654 -10.277 1.00 0.00 O ATOM 0 H GLU A 62 2.214 -2.089 -7.476 1.00 0.00 H new ATOM 0 HA GLU A 62 5.050 -1.946 -7.452 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.689 -0.723 -9.541 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.716 -2.179 -9.475 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.932 -0.309 -8.483 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.857 0.667 -9.607 1.00 0.00 H new ATOM 928 N LEU A 63 3.494 0.674 -6.289 1.00 0.00 N ATOM 929 CA LEU A 63 3.638 1.966 -5.624 1.00 0.00 C ATOM 930 C LEU A 63 4.310 1.867 -4.249 1.00 0.00 C ATOM 931 O LEU A 63 4.452 2.908 -3.610 1.00 0.00 O ATOM 932 CB LEU A 63 2.264 2.654 -5.459 1.00 0.00 C ATOM 933 CG LEU A 63 1.454 2.886 -6.749 1.00 0.00 C ATOM 934 CD1 LEU A 63 0.074 3.455 -6.400 1.00 0.00 C ATOM 935 CD2 LEU A 63 2.118 3.829 -7.743 1.00 0.00 C ATOM 0 H LEU A 63 2.540 0.314 -6.255 1.00 0.00 H new ATOM 0 HA LEU A 63 4.285 2.560 -6.269 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.660 2.052 -4.780 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.421 3.619 -4.976 1.00 0.00 H new ATOM 0 HG LEU A 63 1.382 1.910 -7.228 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.495 3.617 -7.316 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.459 2.751 -5.762 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.193 4.402 -5.874 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.483 3.937 -8.622 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.264 4.804 -7.278 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.084 3.422 -8.042 1.00 0.00 H new ATOM 947 N VAL A 64 4.704 0.694 -3.749 1.00 0.00 N ATOM 948 CA VAL A 64 5.345 0.581 -2.436 1.00 0.00 C ATOM 949 C VAL A 64 6.660 -0.182 -2.541 1.00 0.00 C ATOM 950 O VAL A 64 6.824 -1.064 -3.388 1.00 0.00 O ATOM 951 CB VAL A 64 4.380 0.018 -1.374 1.00 0.00 C ATOM 952 CG1 VAL A 64 3.400 1.101 -0.904 1.00 0.00 C ATOM 953 CG2 VAL A 64 3.563 -1.184 -1.854 1.00 0.00 C ATOM 0 H VAL A 64 4.590 -0.195 -4.236 1.00 0.00 H new ATOM 0 HA VAL A 64 5.599 1.581 -2.086 1.00 0.00 H new ATOM 0 HB VAL A 64 5.020 -0.317 -0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.728 0.683 -0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.956 1.931 -0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.819 1.459 -1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.908 -1.523 -1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.961 -0.894 -2.715 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.237 -1.992 -2.138 1.00 0.00 H new ATOM 963 N ASP A 65 7.613 0.198 -1.693 1.00 0.00 N ATOM 964 CA ASP A 65 8.949 -0.373 -1.628 1.00 0.00 C ATOM 965 C ASP A 65 8.979 -1.844 -1.214 1.00 0.00 C ATOM 966 O ASP A 65 8.007 -2.430 -0.718 1.00 0.00 O ATOM 967 CB ASP A 65 9.857 0.475 -0.720 1.00 0.00 C ATOM 968 CG ASP A 65 9.838 0.057 0.755 1.00 0.00 C ATOM 969 OD1 ASP A 65 8.764 0.119 1.389 1.00 0.00 O ATOM 970 OD2 ASP A 65 10.926 -0.270 1.285 1.00 0.00 O ATOM 0 H ASP A 65 7.467 0.940 -1.008 1.00 0.00 H new ATOM 0 HA ASP A 65 9.335 -0.350 -2.647 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.880 0.414 -1.090 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.553 1.519 -0.794 1.00 0.00 H new ATOM 975 N ASN A 66 10.130 -2.468 -1.459 1.00 0.00 N ATOM 976 CA ASN A 66 10.356 -3.860 -1.125 1.00 0.00 C ATOM 977 C ASN A 66 10.716 -3.940 0.352 1.00 0.00 C ATOM 978 O ASN A 66 11.861 -3.697 0.739 1.00 0.00 O ATOM 979 CB ASN A 66 11.447 -4.469 -2.003 1.00 0.00 C ATOM 980 CG ASN A 66 11.474 -5.978 -1.828 1.00 0.00 C ATOM 981 OD1 ASN A 66 12.377 -6.535 -1.207 1.00 0.00 O ATOM 982 ND2 ASN A 66 10.516 -6.678 -2.401 1.00 0.00 N ATOM 0 H ASN A 66 10.931 -2.014 -1.897 1.00 0.00 H new ATOM 0 HA ASN A 66 9.452 -4.439 -1.312 1.00 0.00 H new ATOM 0 HB2 ASN A 66 11.265 -4.219 -3.048 1.00 0.00 H new ATOM 0 HB3 ASN A 66 12.416 -4.047 -1.738 1.00 0.00 H new ATOM 0 HD21 ASN A 66 10.517 -7.696 -2.333 1.00 0.00 H new ATOM 0 HD22 ASN A 66 9.773 -6.202 -2.913 1.00 0.00 H new ATOM 989 N HIS A 67 9.718 -4.227 1.183 1.00 0.00 N ATOM 990 CA HIS A 67 9.868 -4.353 2.617 1.00 0.00 C ATOM 991 C HIS A 67 10.640 -5.641 2.922 1.00 0.00 C ATOM 992 O HIS A 67 10.056 -6.707 3.134 1.00 0.00 O ATOM 993 CB HIS A 67 8.497 -4.296 3.297 1.00 0.00 C ATOM 994 CG HIS A 67 8.648 -4.145 4.785 1.00 0.00 C ATOM 995 ND1 HIS A 67 8.731 -5.169 5.700 1.00 0.00 N ATOM 996 CD2 HIS A 67 8.884 -2.969 5.443 1.00 0.00 C ATOM 997 CE1 HIS A 67 9.039 -4.623 6.885 1.00 0.00 C ATOM 998 NE2 HIS A 67 9.131 -3.281 6.786 1.00 0.00 N ATOM 0 H HIS A 67 8.762 -4.381 0.863 1.00 0.00 H new ATOM 0 HA HIS A 67 10.444 -3.520 3.021 1.00 0.00 H new ATOM 0 HB2 HIS A 67 7.922 -3.460 2.898 1.00 0.00 H new ATOM 0 HB3 HIS A 67 7.937 -5.204 3.074 1.00 0.00 H new ATOM 0 HD2 HIS A 67 8.881 -1.981 5.007 1.00 0.00 H new ATOM 0 HE1 HIS A 67 9.193 -5.182 7.796 1.00 0.00 H new ATOM 0 HE2 HIS A 67 9.339 -2.625 7.539 1.00 0.00 H new ATOM 1006 N GLY A 68 11.962 -5.549 2.949 1.00 0.00 N ATOM 1007 CA GLY A 68 12.899 -6.623 3.208 1.00 0.00 C ATOM 1008 C GLY A 68 14.301 -6.032 3.160 1.00 0.00 C ATOM 1009 O GLY A 68 14.568 -5.114 2.385 1.00 0.00 O ATOM 0 H GLY A 68 12.435 -4.662 2.779 1.00 0.00 H new ATOM 0 HA2 GLY A 68 12.706 -7.073 4.182 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.791 -7.413 2.465 1.00 0.00 H new ATOM 1013 N LYS A 69 15.186 -6.498 4.042 1.00 0.00 N ATOM 1014 CA LYS A 69 16.573 -6.027 4.092 1.00 0.00 C ATOM 1015 C LYS A 69 17.513 -7.037 4.747 1.00 0.00 C ATOM 1016 O LYS A 69 18.720 -6.967 4.526 1.00 0.00 O ATOM 1017 CB LYS A 69 16.648 -4.635 4.759 1.00 0.00 C ATOM 1018 CG LYS A 69 16.696 -4.646 6.293 1.00 0.00 C ATOM 1019 CD LYS A 69 18.141 -4.568 6.805 1.00 0.00 C ATOM 1020 CE LYS A 69 18.352 -5.410 8.063 1.00 0.00 C ATOM 1021 NZ LYS A 69 19.763 -5.358 8.487 1.00 0.00 N ATOM 0 H LYS A 69 14.965 -7.209 4.739 1.00 0.00 H new ATOM 0 HA LYS A 69 16.924 -5.925 3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 69 17.534 -4.119 4.388 1.00 0.00 H new ATOM 0 HB3 LYS A 69 15.783 -4.051 4.443 1.00 0.00 H new ATOM 0 HG2 LYS A 69 16.123 -3.805 6.683 1.00 0.00 H new ATOM 0 HG3 LYS A 69 16.223 -5.554 6.668 1.00 0.00 H new ATOM 0 HD2 LYS A 69 18.821 -4.908 6.024 1.00 0.00 H new ATOM 0 HD3 LYS A 69 18.394 -3.529 7.018 1.00 0.00 H new ATOM 0 HE2 LYS A 69 17.711 -5.044 8.865 1.00 0.00 H new ATOM 0 HE3 LYS A 69 18.062 -6.443 7.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 19.890 -5.935 9.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 20.368 -5.729 7.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 20.028 -4.373 8.691 1.00 0.00 H new ATOM 1035 N LYS A 70 17.018 -7.925 5.616 1.00 0.00 N ATOM 1036 CA LYS A 70 17.840 -8.930 6.281 1.00 0.00 C ATOM 1037 C LYS A 70 18.269 -9.955 5.239 1.00 0.00 C ATOM 1038 O LYS A 70 17.426 -10.407 4.457 1.00 0.00 O ATOM 1039 CB LYS A 70 17.044 -9.567 7.431 1.00 0.00 C ATOM 1040 CG LYS A 70 17.830 -10.687 8.138 1.00 0.00 C ATOM 1041 CD LYS A 70 17.164 -11.134 9.447 1.00 0.00 C ATOM 1042 CE LYS A 70 17.283 -10.093 10.570 1.00 0.00 C ATOM 1043 NZ LYS A 70 18.651 -9.978 11.115 1.00 0.00 N ATOM 0 H LYS A 70 16.032 -7.963 5.876 1.00 0.00 H new ATOM 0 HA LYS A 70 18.734 -8.485 6.719 1.00 0.00 H new ATOM 0 HB2 LYS A 70 16.780 -8.798 8.157 1.00 0.00 H new ATOM 0 HB3 LYS A 70 16.110 -9.972 7.042 1.00 0.00 H new ATOM 0 HG2 LYS A 70 17.919 -11.543 7.469 1.00 0.00 H new ATOM 0 HG3 LYS A 70 18.842 -10.340 8.348 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.110 -11.339 9.260 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.617 -12.069 9.777 1.00 0.00 H new ATOM 0 HE2 LYS A 70 16.967 -9.121 10.191 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.599 -10.358 11.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.666 -9.261 11.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 18.948 -10.895 11.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 19.304 -9.697 10.356 1.00 0.00 H new ATOM 1057 N ILE A 71 19.545 -10.332 5.233 1.00 0.00 N ATOM 1058 CA ILE A 71 20.098 -11.307 4.296 1.00 0.00 C ATOM 1059 C ILE A 71 20.898 -12.328 5.108 1.00 0.00 C ATOM 1060 O ILE A 71 21.450 -11.999 6.160 1.00 0.00 O ATOM 1061 CB ILE A 71 20.935 -10.592 3.202 1.00 0.00 C ATOM 1062 CG1 ILE A 71 20.088 -9.556 2.423 1.00 0.00 C ATOM 1063 CG2 ILE A 71 21.536 -11.606 2.216 1.00 0.00 C ATOM 1064 CD1 ILE A 71 20.894 -8.681 1.461 1.00 0.00 C ATOM 0 H ILE A 71 20.234 -9.964 5.888 1.00 0.00 H new ATOM 0 HA ILE A 71 19.312 -11.837 3.759 1.00 0.00 H new ATOM 0 HB ILE A 71 21.743 -10.068 3.713 1.00 0.00 H new ATOM 0 HG12 ILE A 71 19.319 -10.083 1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 71 19.574 -8.913 3.137 1.00 0.00 H new ATOM 0 HG21 ILE A 71 22.117 -11.078 1.460 1.00 0.00 H new ATOM 0 HG22 ILE A 71 22.184 -12.297 2.755 1.00 0.00 H new ATOM 0 HG23 ILE A 71 20.733 -12.163 1.733 1.00 0.00 H new ATOM 0 HD11 ILE A 71 20.225 -7.984 0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 71 21.646 -8.123 2.020 1.00 0.00 H new ATOM 0 HD13 ILE A 71 21.386 -9.312 0.721 1.00 0.00 H new ATOM 1076 N LYS A 72 20.956 -13.570 4.628 1.00 0.00 N ATOM 1077 CA LYS A 72 21.667 -14.683 5.237 1.00 0.00 C ATOM 1078 C LYS A 72 22.266 -15.507 4.096 1.00 0.00 C ATOM 1079 O LYS A 72 21.734 -16.565 3.762 1.00 0.00 O ATOM 1080 CB LYS A 72 20.689 -15.480 6.124 1.00 0.00 C ATOM 1081 CG LYS A 72 21.390 -16.597 6.917 1.00 0.00 C ATOM 1082 CD LYS A 72 20.401 -17.490 7.682 1.00 0.00 C ATOM 1083 CE LYS A 72 19.614 -18.370 6.705 1.00 0.00 C ATOM 1084 NZ LYS A 72 18.820 -19.410 7.385 1.00 0.00 N ATOM 0 H LYS A 72 20.485 -13.835 3.763 1.00 0.00 H new ATOM 0 HA LYS A 72 22.478 -14.361 5.891 1.00 0.00 H new ATOM 0 HB2 LYS A 72 20.197 -14.800 6.819 1.00 0.00 H new ATOM 0 HB3 LYS A 72 19.910 -15.916 5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 72 21.974 -17.212 6.232 1.00 0.00 H new ATOM 0 HG3 LYS A 72 22.091 -16.151 7.622 1.00 0.00 H new ATOM 0 HD2 LYS A 72 20.941 -18.116 8.393 1.00 0.00 H new ATOM 0 HD3 LYS A 72 19.714 -16.872 8.260 1.00 0.00 H new ATOM 0 HE2 LYS A 72 18.949 -17.742 6.112 1.00 0.00 H new ATOM 0 HE3 LYS A 72 20.308 -18.845 6.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 18.309 -19.975 6.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 19.453 -20.029 7.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 18.137 -18.961 8.028 1.00 0.00 H new ATOM 1098 N SER A 73 23.329 -15.004 3.469 1.00 0.00 N ATOM 1099 CA SER A 73 24.037 -15.651 2.367 1.00 0.00 C ATOM 1100 C SER A 73 24.850 -16.855 2.880 1.00 0.00 C ATOM 1101 O SER A 73 26.082 -16.838 2.849 1.00 0.00 O ATOM 1102 CB SER A 73 24.956 -14.625 1.687 1.00 0.00 C ATOM 1103 OG SER A 73 24.299 -13.409 1.379 1.00 0.00 O ATOM 0 H SER A 73 23.734 -14.103 3.724 1.00 0.00 H new ATOM 0 HA SER A 73 23.314 -16.022 1.640 1.00 0.00 H new ATOM 0 HB2 SER A 73 25.804 -14.418 2.339 1.00 0.00 H new ATOM 0 HB3 SER A 73 25.357 -15.057 0.770 1.00 0.00 H new ATOM 0 HG SER A 73 24.931 -12.795 0.951 1.00 0.00 H new ATOM 1109 N SER A 74 24.188 -17.880 3.408 1.00 0.00 N ATOM 1110 CA SER A 74 24.795 -19.085 3.946 1.00 0.00 C ATOM 1111 C SER A 74 23.732 -20.188 3.955 1.00 0.00 C ATOM 1112 O SER A 74 22.562 -19.949 3.637 1.00 0.00 O ATOM 1113 CB SER A 74 25.328 -18.758 5.355 1.00 0.00 C ATOM 1114 OG SER A 74 26.009 -19.834 5.967 1.00 0.00 O ATOM 0 H SER A 74 23.170 -17.890 3.474 1.00 0.00 H new ATOM 0 HA SER A 74 25.633 -19.437 3.345 1.00 0.00 H new ATOM 0 HB2 SER A 74 26.001 -17.903 5.290 1.00 0.00 H new ATOM 0 HB3 SER A 74 24.494 -18.459 5.990 1.00 0.00 H new ATOM 0 HG SER A 74 26.322 -19.561 6.855 1.00 0.00 H new ATOM 1120 N GLY A 75 24.141 -21.403 4.304 1.00 0.00 N ATOM 1121 CA GLY A 75 23.334 -22.605 4.406 1.00 0.00 C ATOM 1122 C GLY A 75 24.214 -23.707 5.001 1.00 0.00 C ATOM 1123 O GLY A 75 25.390 -23.452 5.276 1.00 0.00 O ATOM 0 H GLY A 75 25.117 -21.582 4.539 1.00 0.00 H new ATOM 0 HA2 GLY A 75 22.463 -22.429 5.037 1.00 0.00 H new ATOM 0 HA3 GLY A 75 22.962 -22.900 3.425 1.00 0.00 H new ATOM 1127 N PRO A 76 23.680 -24.914 5.247 1.00 0.00 N ATOM 1128 CA PRO A 76 24.474 -26.004 5.796 1.00 0.00 C ATOM 1129 C PRO A 76 25.493 -26.469 4.747 1.00 0.00 C ATOM 1130 O PRO A 76 25.288 -26.297 3.544 1.00 0.00 O ATOM 1131 CB PRO A 76 23.464 -27.096 6.155 1.00 0.00 C ATOM 1132 CG PRO A 76 22.320 -26.856 5.167 1.00 0.00 C ATOM 1133 CD PRO A 76 22.317 -25.338 4.976 1.00 0.00 C ATOM 0 HA PRO A 76 25.051 -25.719 6.676 1.00 0.00 H new ATOM 0 HB2 PRO A 76 23.891 -28.092 6.041 1.00 0.00 H new ATOM 0 HB3 PRO A 76 23.128 -27.009 7.188 1.00 0.00 H new ATOM 0 HG2 PRO A 76 22.489 -27.378 4.225 1.00 0.00 H new ATOM 0 HG3 PRO A 76 21.368 -27.212 5.562 1.00 0.00 H new ATOM 0 HD2 PRO A 76 22.016 -25.070 3.963 1.00 0.00 H new ATOM 0 HD3 PRO A 76 21.613 -24.858 5.656 1.00 0.00 H new ATOM 1141 N SER A 77 26.599 -27.068 5.184 1.00 0.00 N ATOM 1142 CA SER A 77 27.662 -27.575 4.314 1.00 0.00 C ATOM 1143 C SER A 77 28.381 -28.744 5.002 1.00 0.00 C ATOM 1144 O SER A 77 29.604 -28.865 4.951 1.00 0.00 O ATOM 1145 CB SER A 77 28.615 -26.430 3.934 1.00 0.00 C ATOM 1146 OG SER A 77 27.927 -25.421 3.212 1.00 0.00 O ATOM 0 H SER A 77 26.787 -27.218 6.175 1.00 0.00 H new ATOM 0 HA SER A 77 27.239 -27.960 3.386 1.00 0.00 H new ATOM 0 HB2 SER A 77 29.055 -26.003 4.835 1.00 0.00 H new ATOM 0 HB3 SER A 77 29.436 -26.819 3.332 1.00 0.00 H new ATOM 0 HG SER A 77 28.551 -24.701 2.981 1.00 0.00 H new ATOM 1152 N SER A 78 27.635 -29.556 5.749 1.00 0.00 N ATOM 1153 CA SER A 78 28.108 -30.725 6.477 1.00 0.00 C ATOM 1154 C SER A 78 26.917 -31.677 6.627 1.00 0.00 C ATOM 1155 O SER A 78 25.779 -31.278 6.350 1.00 0.00 O ATOM 1156 CB SER A 78 28.662 -30.312 7.850 1.00 0.00 C ATOM 1157 OG SER A 78 29.575 -29.232 7.738 1.00 0.00 O ATOM 0 H SER A 78 26.633 -29.406 5.867 1.00 0.00 H new ATOM 0 HA SER A 78 28.919 -31.217 5.940 1.00 0.00 H new ATOM 0 HB2 SER A 78 27.839 -30.028 8.505 1.00 0.00 H new ATOM 0 HB3 SER A 78 29.159 -31.164 8.314 1.00 0.00 H new ATOM 0 HG SER A 78 29.908 -28.992 8.628 1.00 0.00 H new ATOM 1163 N GLY A 79 27.173 -32.900 7.072 1.00 0.00 N ATOM 1164 CA GLY A 79 26.228 -33.976 7.293 1.00 0.00 C ATOM 1165 C GLY A 79 27.026 -35.170 7.794 1.00 0.00 C ATOM 1166 O GLY A 79 28.264 -35.011 7.927 1.00 0.00 O ATOM 0 H GLY A 79 28.125 -33.183 7.305 1.00 0.00 H new ATOM 0 HA2 GLY A 79 25.473 -33.683 8.022 1.00 0.00 H new ATOM 0 HA3 GLY A 79 25.702 -34.223 6.371 1.00 0.00 H new TER 1170 GLY A 79