USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 606 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 16 LYS NZ :NH3+ 152:sc= 1.27 (180deg=1.01) USER MOD Set 1.2: A 37 TYR OH : rot -122:sc= 1.31 USER MOD Single : A 1 GLY N :NH3+ 144:sc= 0.0417 (180deg=0) USER MOD Single : A 2 SER OG : rot -175:sc= 1.27 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 4 MET CE :methyl -171:sc= 0 (180deg=-0.116) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00267 USER MOD Single : A 8 LYS NZ :NH3+ -149:sc= 1.27 (180deg=1.01) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.651 X(o=-0.65,f=-0.56) USER MOD Single : A 21 SER OG : rot -84:sc= 1.3 USER MOD Single : A 22 LYS NZ :NH3+ -109:sc= 0.946 (180deg=-0.0279) USER MOD Single : A 25 SER OG : rot 180:sc= -0.285 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 164:sc= 1.27 (180deg=1.15) USER MOD Single : A 34 HIS : no HE2:sc= -1.66! X(o=-1.7!,f=-1.6) USER MOD Single : A 43 LYS NZ :NH3+ 162:sc= 0.0593 (180deg=-0.0427) USER MOD Single : A 46 MET CE :methyl -127:sc= 0 (180deg=-0.739) USER MOD Single : A 48 MET CE :methyl 149:sc= -2.02! (180deg=-2.84!) USER MOD Single : A 50 SER OG : rot -102:sc= 1.26 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.975 K(o=-0.97,f=-0.039) USER MOD Single : A 61 MET CE :methyl 180:sc= -0.288 (180deg=-0.288) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -1.08 K(o=-1.1,f=-0.052) USER MOD Single : A 66 LYS NZ :NH3+ -120:sc= 1.2 (180deg=-0.793!) USER MOD Single : A 67 LYS NZ :NH3+ 175:sc= 1.21 (180deg=1.12) USER MOD Single : B 12 TYR OH : rot 70:sc= -0.703 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.279 2.130 -6.423 1.00 10.00 N ATOM 2 CA GLY A 1 -19.034 2.857 -6.528 1.00 10.00 C ATOM 3 C GLY A 1 -18.647 3.516 -5.222 1.00 10.00 C ATOM 4 O GLY A 1 -19.510 3.874 -4.419 1.00 10.00 O ATOM 0 H1 GLY A 1 -20.809 2.219 -7.313 1.00 10.00 H new ATOM 0 H2 GLY A 1 -20.080 1.126 -6.237 1.00 10.00 H new ATOM 0 H3 GLY A 1 -20.845 2.521 -5.643 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -18.242 2.175 -6.838 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -19.123 3.617 -7.304 1.00 10.00 H new ATOM 8 N SER A 2 -17.349 3.667 -5.008 1.00 10.00 N ATOM 9 CA SER A 2 -16.841 4.284 -3.796 1.00 10.00 C ATOM 10 C SER A 2 -16.610 5.773 -4.021 1.00 10.00 C ATOM 11 O SER A 2 -16.131 6.183 -5.081 1.00 10.00 O ATOM 12 CB SER A 2 -15.537 3.603 -3.360 1.00 10.00 C ATOM 13 OG SER A 2 -15.048 4.141 -2.138 1.00 10.00 O ATOM 0 H SER A 2 -16.626 3.368 -5.663 1.00 10.00 H new ATOM 0 HA SER A 2 -17.580 4.161 -3.004 1.00 10.00 H new ATOM 0 HB2 SER A 2 -15.706 2.532 -3.245 1.00 10.00 H new ATOM 0 HB3 SER A 2 -14.784 3.725 -4.139 1.00 10.00 H new ATOM 0 HG SER A 2 -14.176 3.744 -1.931 1.00 10.00 H new ATOM 19 N HIS A 3 -16.959 6.577 -3.028 1.00 10.00 N ATOM 20 CA HIS A 3 -16.784 8.021 -3.117 1.00 10.00 C ATOM 21 C HIS A 3 -15.492 8.443 -2.427 1.00 10.00 C ATOM 22 O HIS A 3 -15.246 9.628 -2.210 1.00 10.00 O ATOM 23 CB HIS A 3 -17.980 8.746 -2.497 1.00 10.00 C ATOM 24 CG HIS A 3 -19.184 8.785 -3.390 1.00 10.00 C ATOM 25 ND1 HIS A 3 -19.466 9.884 -4.165 1.00 10.00 N ATOM 26 CD2 HIS A 3 -20.133 7.839 -3.601 1.00 10.00 C ATOM 27 CE1 HIS A 3 -20.575 9.587 -4.824 1.00 10.00 C ATOM 28 NE2 HIS A 3 -21.013 8.362 -4.513 1.00 10.00 N ATOM 0 H HIS A 3 -17.366 6.255 -2.150 1.00 10.00 H new ATOM 0 HA HIS A 3 -16.722 8.296 -4.170 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -18.247 8.255 -1.561 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -17.688 9.767 -2.249 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -20.185 6.864 -3.140 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -21.064 10.249 -5.523 1.00 10.00 H new ATOM 0 HE2 HIS A 3 -21.845 7.903 -4.884 1.00 10.00 H new ATOM 36 N MET A 4 -14.667 7.462 -2.089 1.00 10.00 N ATOM 37 CA MET A 4 -13.400 7.723 -1.425 1.00 10.00 C ATOM 38 C MET A 4 -12.272 7.755 -2.449 1.00 10.00 C ATOM 39 O MET A 4 -12.493 7.507 -3.638 1.00 10.00 O ATOM 40 CB MET A 4 -13.119 6.656 -0.361 1.00 10.00 C ATOM 41 CG MET A 4 -14.191 6.563 0.714 1.00 10.00 C ATOM 42 SD MET A 4 -14.307 8.058 1.721 1.00 10.00 S ATOM 43 CE MET A 4 -12.844 7.904 2.744 1.00 10.00 C ATOM 0 H MET A 4 -14.854 6.475 -2.265 1.00 10.00 H new ATOM 0 HA MET A 4 -13.459 8.693 -0.932 1.00 10.00 H new ATOM 0 HB2 MET A 4 -13.022 5.686 -0.849 1.00 10.00 H new ATOM 0 HB3 MET A 4 -12.161 6.872 0.112 1.00 10.00 H new ATOM 0 HG2 MET A 4 -15.155 6.372 0.243 1.00 10.00 H new ATOM 0 HG3 MET A 4 -13.978 5.711 1.360 1.00 10.00 H new ATOM 0 HE1 MET A 4 -12.863 8.666 3.523 1.00 10.00 H new ATOM 0 HE2 MET A 4 -12.823 6.916 3.203 1.00 10.00 H new ATOM 0 HE3 MET A 4 -11.954 8.037 2.129 1.00 10.00 H new ATOM 53 N ALA A 5 -11.071 8.072 -1.993 1.00 10.00 N ATOM 54 CA ALA A 5 -9.910 8.140 -2.870 1.00 10.00 C ATOM 55 C ALA A 5 -9.208 6.789 -2.968 1.00 10.00 C ATOM 56 O ALA A 5 -9.125 6.044 -1.989 1.00 10.00 O ATOM 57 CB ALA A 5 -8.942 9.206 -2.380 1.00 10.00 C ATOM 0 H ALA A 5 -10.873 8.287 -1.016 1.00 10.00 H new ATOM 0 HA ALA A 5 -10.257 8.408 -3.868 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -8.079 9.247 -3.044 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -9.441 10.175 -2.374 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -8.612 8.961 -1.370 1.00 10.00 H new ATOM 63 N THR A 6 -8.707 6.480 -4.156 1.00 10.00 N ATOM 64 CA THR A 6 -8.008 5.230 -4.395 1.00 10.00 C ATOM 65 C THR A 6 -6.501 5.460 -4.518 1.00 10.00 C ATOM 66 O THR A 6 -6.061 6.396 -5.189 1.00 10.00 O ATOM 67 CB THR A 6 -8.530 4.552 -5.676 1.00 10.00 C ATOM 68 OG1 THR A 6 -9.486 5.407 -6.329 1.00 10.00 O ATOM 69 CG2 THR A 6 -9.176 3.213 -5.357 1.00 10.00 C ATOM 0 H THR A 6 -8.774 7.085 -4.974 1.00 10.00 H new ATOM 0 HA THR A 6 -8.196 4.578 -3.542 1.00 10.00 H new ATOM 0 HB THR A 6 -7.683 4.379 -6.340 1.00 10.00 H new ATOM 0 HG1 THR A 6 -9.812 4.971 -7.143 1.00 10.00 H new ATOM 0 HG21 THR A 6 -9.536 2.754 -6.278 1.00 10.00 H new ATOM 0 HG22 THR A 6 -8.442 2.557 -4.888 1.00 10.00 H new ATOM 0 HG23 THR A 6 -10.013 3.366 -4.676 1.00 10.00 H new ATOM 77 N VAL A 7 -5.719 4.612 -3.865 1.00 10.00 N ATOM 78 CA VAL A 7 -4.267 4.721 -3.900 1.00 10.00 C ATOM 79 C VAL A 7 -3.680 3.573 -4.714 1.00 10.00 C ATOM 80 O VAL A 7 -3.973 2.407 -4.451 1.00 10.00 O ATOM 81 CB VAL A 7 -3.667 4.698 -2.478 1.00 10.00 C ATOM 82 CG1 VAL A 7 -2.195 5.078 -2.504 1.00 10.00 C ATOM 83 CG2 VAL A 7 -4.441 5.623 -1.550 1.00 10.00 C ATOM 0 H VAL A 7 -6.068 3.837 -3.302 1.00 10.00 H new ATOM 0 HA VAL A 7 -4.015 5.674 -4.365 1.00 10.00 H new ATOM 0 HB VAL A 7 -3.750 3.681 -2.095 1.00 10.00 H new ATOM 0 HG11 VAL A 7 -1.795 5.054 -1.490 1.00 10.00 H new ATOM 0 HG12 VAL A 7 -1.647 4.370 -3.127 1.00 10.00 H new ATOM 0 HG13 VAL A 7 -2.086 6.082 -2.914 1.00 10.00 H new ATOM 0 HG21 VAL A 7 -4.000 5.591 -0.554 1.00 10.00 H new ATOM 0 HG22 VAL A 7 -4.397 6.643 -1.933 1.00 10.00 H new ATOM 0 HG23 VAL A 7 -5.481 5.299 -1.498 1.00 10.00 H new ATOM 93 N LYS A 8 -2.866 3.908 -5.703 1.00 10.00 N ATOM 94 CA LYS A 8 -2.249 2.902 -6.561 1.00 10.00 C ATOM 95 C LYS A 8 -0.855 2.530 -6.063 1.00 10.00 C ATOM 96 O LYS A 8 0.046 3.370 -6.021 1.00 10.00 O ATOM 97 CB LYS A 8 -2.171 3.412 -8.002 1.00 10.00 C ATOM 98 CG LYS A 8 -1.571 2.411 -8.974 1.00 10.00 C ATOM 99 CD LYS A 8 -1.420 3.007 -10.363 1.00 10.00 C ATOM 100 CE LYS A 8 -2.757 3.110 -11.076 1.00 10.00 C ATOM 101 NZ LYS A 8 -2.588 3.325 -12.536 1.00 10.00 N ATOM 0 H LYS A 8 -2.615 4.870 -5.934 1.00 10.00 H new ATOM 0 HA LYS A 8 -2.871 2.007 -6.530 1.00 10.00 H new ATOM 0 HB2 LYS A 8 -3.173 3.676 -8.339 1.00 10.00 H new ATOM 0 HB3 LYS A 8 -1.577 4.326 -8.023 1.00 10.00 H new ATOM 0 HG2 LYS A 8 -0.597 2.086 -8.608 1.00 10.00 H new ATOM 0 HG3 LYS A 8 -2.205 1.525 -9.024 1.00 10.00 H new ATOM 0 HD2 LYS A 8 -0.970 3.997 -10.288 1.00 10.00 H new ATOM 0 HD3 LYS A 8 -0.740 2.392 -10.952 1.00 10.00 H new ATOM 0 HE2 LYS A 8 -3.330 2.199 -10.907 1.00 10.00 H new ATOM 0 HE3 LYS A 8 -3.333 3.932 -10.652 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 -3.384 3.888 -12.898 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 -1.697 3.832 -12.711 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 -2.564 2.406 -13.022 1.00 10.00 H new ATOM 115 N PHE A 9 -0.688 1.269 -5.700 1.00 10.00 N ATOM 116 CA PHE A 9 0.586 0.769 -5.206 1.00 10.00 C ATOM 117 C PHE A 9 1.279 -0.075 -6.267 1.00 10.00 C ATOM 118 O PHE A 9 0.625 -0.786 -7.030 1.00 10.00 O ATOM 119 CB PHE A 9 0.375 -0.072 -3.944 1.00 10.00 C ATOM 120 CG PHE A 9 -0.164 0.704 -2.779 1.00 10.00 C ATOM 121 CD1 PHE A 9 -1.529 0.887 -2.622 1.00 10.00 C ATOM 122 CD2 PHE A 9 0.693 1.242 -1.833 1.00 10.00 C ATOM 123 CE1 PHE A 9 -2.027 1.593 -1.545 1.00 10.00 C ATOM 124 CE2 PHE A 9 0.200 1.949 -0.754 1.00 10.00 C ATOM 125 CZ PHE A 9 -1.163 2.124 -0.610 1.00 10.00 C ATOM 0 H PHE A 9 -1.426 0.566 -5.739 1.00 10.00 H new ATOM 0 HA PHE A 9 1.216 1.626 -4.967 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -0.311 -0.887 -4.173 1.00 10.00 H new ATOM 0 HB3 PHE A 9 1.324 -0.525 -3.658 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -2.211 0.473 -3.350 1.00 10.00 H new ATOM 0 HD2 PHE A 9 1.759 1.107 -1.941 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -3.093 1.729 -1.435 1.00 10.00 H new ATOM 0 HE2 PHE A 9 0.879 2.364 -0.024 1.00 10.00 H new ATOM 0 HZ PHE A 9 -1.551 2.676 0.233 1.00 10.00 H new ATOM 135 N LYS A 10 2.601 0.013 -6.312 1.00 10.00 N ATOM 136 CA LYS A 10 3.385 -0.753 -7.269 1.00 10.00 C ATOM 137 C LYS A 10 3.990 -1.970 -6.572 1.00 10.00 C ATOM 138 O LYS A 10 5.213 -2.109 -6.474 1.00 10.00 O ATOM 139 CB LYS A 10 4.484 0.120 -7.882 1.00 10.00 C ATOM 140 CG LYS A 10 4.991 -0.387 -9.224 1.00 10.00 C ATOM 141 CD LYS A 10 5.909 0.627 -9.895 1.00 10.00 C ATOM 142 CE LYS A 10 6.425 0.109 -11.224 1.00 10.00 C ATOM 143 NZ LYS A 10 7.275 1.107 -11.928 1.00 10.00 N ATOM 0 H LYS A 10 3.154 0.609 -5.695 1.00 10.00 H new ATOM 0 HA LYS A 10 2.735 -1.092 -8.076 1.00 10.00 H new ATOM 0 HB2 LYS A 10 4.103 1.134 -8.007 1.00 10.00 H new ATOM 0 HB3 LYS A 10 5.321 0.177 -7.186 1.00 10.00 H new ATOM 0 HG2 LYS A 10 5.527 -1.325 -9.080 1.00 10.00 H new ATOM 0 HG3 LYS A 10 4.144 -0.600 -9.877 1.00 10.00 H new ATOM 0 HD2 LYS A 10 5.370 1.561 -10.051 1.00 10.00 H new ATOM 0 HD3 LYS A 10 6.750 0.850 -9.238 1.00 10.00 H new ATOM 0 HE2 LYS A 10 7.000 -0.802 -11.058 1.00 10.00 H new ATOM 0 HE3 LYS A 10 5.581 -0.159 -11.860 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 7.604 0.708 -12.830 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 6.720 1.967 -12.112 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 8.096 1.344 -11.335 1.00 10.00 H new ATOM 157 N TYR A 11 3.112 -2.838 -6.081 1.00 10.00 N ATOM 158 CA TYR A 11 3.506 -4.053 -5.374 1.00 10.00 C ATOM 159 C TYR A 11 4.320 -4.978 -6.278 1.00 10.00 C ATOM 160 O TYR A 11 3.811 -5.517 -7.262 1.00 10.00 O ATOM 161 CB TYR A 11 2.243 -4.749 -4.826 1.00 10.00 C ATOM 162 CG TYR A 11 2.253 -6.267 -4.899 1.00 10.00 C ATOM 163 CD1 TYR A 11 3.135 -7.016 -4.132 1.00 10.00 C ATOM 164 CD2 TYR A 11 1.376 -6.949 -5.739 1.00 10.00 C ATOM 165 CE1 TYR A 11 3.150 -8.396 -4.202 1.00 10.00 C ATOM 166 CE2 TYR A 11 1.385 -8.328 -5.812 1.00 10.00 C ATOM 167 CZ TYR A 11 2.275 -9.048 -5.042 1.00 10.00 C ATOM 168 OH TYR A 11 2.294 -10.422 -5.115 1.00 10.00 O ATOM 0 H TYR A 11 2.102 -2.719 -6.162 1.00 10.00 H new ATOM 0 HA TYR A 11 4.152 -3.792 -4.536 1.00 10.00 H new ATOM 0 HB2 TYR A 11 2.108 -4.453 -3.786 1.00 10.00 H new ATOM 0 HB3 TYR A 11 1.378 -4.381 -5.377 1.00 10.00 H new ATOM 0 HD1 TYR A 11 3.822 -6.511 -3.469 1.00 10.00 H new ATOM 0 HD2 TYR A 11 0.677 -6.390 -6.343 1.00 10.00 H new ATOM 0 HE1 TYR A 11 3.846 -8.961 -3.600 1.00 10.00 H new ATOM 0 HE2 TYR A 11 0.698 -8.841 -6.469 1.00 10.00 H new ATOM 0 HH TYR A 11 1.614 -10.725 -5.753 1.00 10.00 H new ATOM 178 N LYS A 12 5.601 -5.125 -5.941 1.00 10.00 N ATOM 179 CA LYS A 12 6.535 -5.970 -6.693 1.00 10.00 C ATOM 180 C LYS A 12 6.615 -5.575 -8.172 1.00 10.00 C ATOM 181 O LYS A 12 7.072 -6.358 -9.006 1.00 10.00 O ATOM 182 CB LYS A 12 6.151 -7.446 -6.570 1.00 10.00 C ATOM 183 CG LYS A 12 6.791 -8.137 -5.379 1.00 10.00 C ATOM 184 CD LYS A 12 6.596 -9.640 -5.433 1.00 10.00 C ATOM 185 CE LYS A 12 7.438 -10.343 -4.383 1.00 10.00 C ATOM 186 NZ LYS A 12 7.135 -11.795 -4.313 1.00 10.00 N ATOM 0 H LYS A 12 6.024 -4.661 -5.137 1.00 10.00 H new ATOM 0 HA LYS A 12 7.521 -5.816 -6.254 1.00 10.00 H new ATOM 0 HB2 LYS A 12 5.067 -7.526 -6.488 1.00 10.00 H new ATOM 0 HB3 LYS A 12 6.441 -7.967 -7.482 1.00 10.00 H new ATOM 0 HG2 LYS A 12 7.857 -7.909 -5.355 1.00 10.00 H new ATOM 0 HG3 LYS A 12 6.360 -7.747 -4.457 1.00 10.00 H new ATOM 0 HD2 LYS A 12 5.544 -9.878 -5.278 1.00 10.00 H new ATOM 0 HD3 LYS A 12 6.864 -10.008 -6.423 1.00 10.00 H new ATOM 0 HE2 LYS A 12 8.495 -10.203 -4.611 1.00 10.00 H new ATOM 0 HE3 LYS A 12 7.259 -9.887 -3.409 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 7.730 -12.239 -3.585 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 6.133 -11.929 -4.070 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 7.330 -12.235 -5.235 1.00 10.00 H new ATOM 200 N GLY A 13 6.190 -4.359 -8.492 1.00 10.00 N ATOM 201 CA GLY A 13 6.218 -3.907 -9.869 1.00 10.00 C ATOM 202 C GLY A 13 4.858 -4.013 -10.526 1.00 10.00 C ATOM 203 O GLY A 13 4.650 -3.511 -11.634 1.00 10.00 O ATOM 0 H GLY A 13 5.827 -3.679 -7.824 1.00 10.00 H new ATOM 0 HA2 GLY A 13 6.559 -2.872 -9.905 1.00 10.00 H new ATOM 0 HA3 GLY A 13 6.940 -4.500 -10.431 1.00 10.00 H new ATOM 207 N GLU A 14 3.932 -4.666 -9.839 1.00 10.00 N ATOM 208 CA GLU A 14 2.578 -4.844 -10.340 1.00 10.00 C ATOM 209 C GLU A 14 1.719 -3.654 -9.934 1.00 10.00 C ATOM 210 O GLU A 14 1.918 -3.069 -8.869 1.00 10.00 O ATOM 211 CB GLU A 14 1.986 -6.151 -9.800 1.00 10.00 C ATOM 212 CG GLU A 14 0.678 -6.569 -10.461 1.00 10.00 C ATOM 213 CD GLU A 14 0.176 -7.911 -9.963 1.00 10.00 C ATOM 214 OE1 GLU A 14 0.693 -8.952 -10.418 1.00 10.00 O ATOM 215 OE2 GLU A 14 -0.745 -7.935 -9.122 1.00 10.00 O ATOM 0 H GLU A 14 4.097 -5.085 -8.924 1.00 10.00 H new ATOM 0 HA GLU A 14 2.600 -4.902 -11.428 1.00 10.00 H new ATOM 0 HB2 GLU A 14 2.717 -6.949 -9.932 1.00 10.00 H new ATOM 0 HB3 GLU A 14 1.820 -6.045 -8.728 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -0.080 -5.809 -10.272 1.00 10.00 H new ATOM 0 HG3 GLU A 14 0.820 -6.616 -11.541 1.00 10.00 H new ATOM 222 N GLU A 15 0.778 -3.292 -10.786 1.00 10.00 N ATOM 223 CA GLU A 15 -0.098 -2.164 -10.515 1.00 10.00 C ATOM 224 C GLU A 15 -1.349 -2.610 -9.756 1.00 10.00 C ATOM 225 O GLU A 15 -2.259 -3.203 -10.338 1.00 10.00 O ATOM 226 CB GLU A 15 -0.489 -1.487 -11.829 1.00 10.00 C ATOM 227 CG GLU A 15 -0.357 0.023 -11.793 1.00 10.00 C ATOM 228 CD GLU A 15 -0.526 0.665 -13.154 1.00 10.00 C ATOM 229 OE1 GLU A 15 0.485 0.835 -13.867 1.00 10.00 O ATOM 230 OE2 GLU A 15 -1.667 1.011 -13.515 1.00 10.00 O ATOM 0 H GLU A 15 0.599 -3.763 -11.673 1.00 10.00 H new ATOM 0 HA GLU A 15 0.439 -1.452 -9.888 1.00 10.00 H new ATOM 0 HB2 GLU A 15 0.136 -1.880 -12.631 1.00 10.00 H new ATOM 0 HB3 GLU A 15 -1.519 -1.748 -12.071 1.00 10.00 H new ATOM 0 HG2 GLU A 15 -1.102 0.431 -11.110 1.00 10.00 H new ATOM 0 HG3 GLU A 15 0.622 0.287 -11.392 1.00 10.00 H new ATOM 237 N LYS A 16 -1.389 -2.322 -8.460 1.00 10.00 N ATOM 238 CA LYS A 16 -2.527 -2.696 -7.629 1.00 10.00 C ATOM 239 C LYS A 16 -3.070 -1.479 -6.889 1.00 10.00 C ATOM 240 O LYS A 16 -2.379 -0.879 -6.069 1.00 10.00 O ATOM 241 CB LYS A 16 -2.110 -3.778 -6.631 1.00 10.00 C ATOM 242 CG LYS A 16 -3.101 -4.925 -6.525 1.00 10.00 C ATOM 243 CD LYS A 16 -2.499 -6.102 -5.776 1.00 10.00 C ATOM 244 CE LYS A 16 -3.409 -7.319 -5.830 1.00 10.00 C ATOM 245 NZ LYS A 16 -3.949 -7.674 -4.491 1.00 10.00 N ATOM 0 H LYS A 16 -0.647 -1.831 -7.962 1.00 10.00 H new ATOM 0 HA LYS A 16 -3.315 -3.089 -8.271 1.00 10.00 H new ATOM 0 HB2 LYS A 16 -1.138 -4.175 -6.924 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -1.986 -3.325 -5.648 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -4.001 -4.586 -6.012 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -3.403 -5.242 -7.523 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -1.529 -6.352 -6.207 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -2.324 -5.823 -4.737 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -4.235 -7.123 -6.513 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -2.856 -8.167 -6.234 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -4.869 -8.147 -4.602 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -3.287 -8.314 -4.008 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -4.070 -6.810 -3.925 1.00 10.00 H new ATOM 259 N GLN A 17 -4.305 -1.106 -7.194 1.00 10.00 N ATOM 260 CA GLN A 17 -4.927 0.046 -6.559 1.00 10.00 C ATOM 261 C GLN A 17 -5.865 -0.389 -5.437 1.00 10.00 C ATOM 262 O GLN A 17 -6.638 -1.338 -5.590 1.00 10.00 O ATOM 263 CB GLN A 17 -5.684 0.880 -7.595 1.00 10.00 C ATOM 264 CG GLN A 17 -6.042 2.273 -7.103 1.00 10.00 C ATOM 265 CD GLN A 17 -6.152 3.281 -8.227 1.00 10.00 C ATOM 266 OE1 GLN A 17 -5.791 4.445 -8.068 1.00 10.00 O ATOM 267 NE2 GLN A 17 -6.675 2.850 -9.361 1.00 10.00 N ATOM 0 H GLN A 17 -4.894 -1.584 -7.876 1.00 10.00 H new ATOM 0 HA GLN A 17 -4.139 0.660 -6.122 1.00 10.00 H new ATOM 0 HB2 GLN A 17 -5.076 0.966 -8.496 1.00 10.00 H new ATOM 0 HB3 GLN A 17 -6.598 0.356 -7.875 1.00 10.00 H new ATOM 0 HG2 GLN A 17 -6.989 2.231 -6.564 1.00 10.00 H new ATOM 0 HG3 GLN A 17 -5.286 2.608 -6.393 1.00 10.00 H new ATOM 0 HE21 GLN A 17 -6.962 1.876 -9.452 1.00 10.00 H new ATOM 0 HE22 GLN A 17 -6.792 3.492 -10.145 1.00 10.00 H new ATOM 276 N VAL A 18 -5.785 0.303 -4.306 1.00 10.00 N ATOM 277 CA VAL A 18 -6.620 0.003 -3.151 1.00 10.00 C ATOM 278 C VAL A 18 -7.304 1.269 -2.644 1.00 10.00 C ATOM 279 O VAL A 18 -6.711 2.348 -2.648 1.00 10.00 O ATOM 280 CB VAL A 18 -5.790 -0.623 -2.004 1.00 10.00 C ATOM 281 CG1 VAL A 18 -6.665 -0.939 -0.798 1.00 10.00 C ATOM 282 CG2 VAL A 18 -5.072 -1.874 -2.477 1.00 10.00 C ATOM 0 H VAL A 18 -5.143 1.083 -4.165 1.00 10.00 H new ATOM 0 HA VAL A 18 -7.374 -0.717 -3.470 1.00 10.00 H new ATOM 0 HB VAL A 18 -5.044 0.111 -1.699 1.00 10.00 H new ATOM 0 HG11 VAL A 18 -6.053 -1.377 -0.010 1.00 10.00 H new ATOM 0 HG12 VAL A 18 -7.125 -0.021 -0.432 1.00 10.00 H new ATOM 0 HG13 VAL A 18 -7.443 -1.645 -1.088 1.00 10.00 H new ATOM 0 HG21 VAL A 18 -4.495 -2.296 -1.654 1.00 10.00 H new ATOM 0 HG22 VAL A 18 -5.804 -2.606 -2.820 1.00 10.00 H new ATOM 0 HG23 VAL A 18 -4.401 -1.620 -3.297 1.00 10.00 H new ATOM 292 N ASP A 19 -8.561 1.136 -2.241 1.00 10.00 N ATOM 293 CA ASP A 19 -9.329 2.262 -1.718 1.00 10.00 C ATOM 294 C ASP A 19 -8.800 2.665 -0.344 1.00 10.00 C ATOM 295 O ASP A 19 -8.428 1.805 0.458 1.00 10.00 O ATOM 296 CB ASP A 19 -10.812 1.892 -1.622 1.00 10.00 C ATOM 297 CG ASP A 19 -11.708 3.100 -1.415 1.00 10.00 C ATOM 298 OD1 ASP A 19 -11.636 3.721 -0.333 1.00 10.00 O ATOM 299 OD2 ASP A 19 -12.496 3.419 -2.329 1.00 10.00 O ATOM 0 H ASP A 19 -9.074 0.255 -2.266 1.00 10.00 H new ATOM 0 HA ASP A 19 -9.221 3.106 -2.399 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -11.112 1.375 -2.533 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -10.955 1.194 -0.797 1.00 10.00 H new ATOM 304 N ILE A 20 -8.787 3.962 -0.066 1.00 10.00 N ATOM 305 CA ILE A 20 -8.288 4.471 1.206 1.00 10.00 C ATOM 306 C ILE A 20 -9.147 3.996 2.387 1.00 10.00 C ATOM 307 O ILE A 20 -8.671 3.933 3.522 1.00 10.00 O ATOM 308 CB ILE A 20 -8.202 6.016 1.198 1.00 10.00 C ATOM 309 CG1 ILE A 20 -7.349 6.513 2.369 1.00 10.00 C ATOM 310 CG2 ILE A 20 -9.591 6.639 1.244 1.00 10.00 C ATOM 311 CD1 ILE A 20 -7.007 7.987 2.294 1.00 10.00 C ATOM 0 H ILE A 20 -9.118 4.684 -0.707 1.00 10.00 H new ATOM 0 HA ILE A 20 -7.284 4.067 1.335 1.00 10.00 H new ATOM 0 HB ILE A 20 -7.724 6.324 0.268 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -7.880 6.320 3.301 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -6.425 5.936 2.403 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -9.503 7.725 1.237 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -10.164 6.316 0.375 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -10.102 6.322 2.153 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -6.402 8.264 3.157 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -6.447 8.185 1.380 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -7.925 8.574 2.291 1.00 10.00 H new ATOM 323 N SER A 21 -10.400 3.634 2.123 1.00 10.00 N ATOM 324 CA SER A 21 -11.285 3.163 3.183 1.00 10.00 C ATOM 325 C SER A 21 -11.004 1.697 3.511 1.00 10.00 C ATOM 326 O SER A 21 -11.522 1.154 4.488 1.00 10.00 O ATOM 327 CB SER A 21 -12.753 3.354 2.789 1.00 10.00 C ATOM 328 OG SER A 21 -13.047 2.722 1.552 1.00 10.00 O ATOM 0 H SER A 21 -10.821 3.657 1.194 1.00 10.00 H new ATOM 0 HA SER A 21 -11.090 3.757 4.076 1.00 10.00 H new ATOM 0 HB2 SER A 21 -13.396 2.946 3.569 1.00 10.00 H new ATOM 0 HB3 SER A 21 -12.976 4.419 2.717 1.00 10.00 H new ATOM 0 HG SER A 21 -12.806 3.320 0.814 1.00 10.00 H new ATOM 334 N LYS A 22 -10.178 1.063 2.690 1.00 10.00 N ATOM 335 CA LYS A 22 -9.824 -0.334 2.895 1.00 10.00 C ATOM 336 C LYS A 22 -8.450 -0.447 3.536 1.00 10.00 C ATOM 337 O LYS A 22 -8.059 -1.514 4.004 1.00 10.00 O ATOM 338 CB LYS A 22 -9.852 -1.095 1.570 1.00 10.00 C ATOM 339 CG LYS A 22 -11.229 -1.632 1.214 1.00 10.00 C ATOM 340 CD LYS A 22 -11.239 -2.297 -0.154 1.00 10.00 C ATOM 341 CE LYS A 22 -12.465 -3.178 -0.325 1.00 10.00 C ATOM 342 NZ LYS A 22 -12.313 -4.484 0.369 1.00 10.00 N ATOM 0 H LYS A 22 -9.741 1.494 1.876 1.00 10.00 H new ATOM 0 HA LYS A 22 -10.559 -0.778 3.566 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -9.510 -0.435 0.773 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -9.148 -1.925 1.621 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -11.546 -2.351 1.970 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -11.952 -0.816 1.227 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -11.224 -1.534 -0.933 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -10.337 -2.896 -0.277 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -13.341 -2.660 0.065 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -12.643 -3.350 -1.387 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -12.199 -5.240 -0.336 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -11.475 -4.455 0.984 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -13.159 -4.672 0.945 1.00 10.00 H new ATOM 356 N ILE A 23 -7.725 0.661 3.552 1.00 10.00 N ATOM 357 CA ILE A 23 -6.394 0.694 4.138 1.00 10.00 C ATOM 358 C ILE A 23 -6.490 0.721 5.660 1.00 10.00 C ATOM 359 O ILE A 23 -7.000 1.679 6.247 1.00 10.00 O ATOM 360 CB ILE A 23 -5.584 1.913 3.645 1.00 10.00 C ATOM 361 CG1 ILE A 23 -5.429 1.857 2.121 1.00 10.00 C ATOM 362 CG2 ILE A 23 -4.221 1.961 4.322 1.00 10.00 C ATOM 363 CD1 ILE A 23 -4.724 3.060 1.529 1.00 10.00 C ATOM 0 H ILE A 23 -8.037 1.551 3.165 1.00 10.00 H new ATOM 0 HA ILE A 23 -5.872 -0.209 3.821 1.00 10.00 H new ATOM 0 HB ILE A 23 -6.124 2.822 3.909 1.00 10.00 H new ATOM 0 HG12 ILE A 23 -4.875 0.957 1.855 1.00 10.00 H new ATOM 0 HG13 ILE A 23 -6.417 1.768 1.669 1.00 10.00 H new ATOM 0 HG21 ILE A 23 -3.666 2.827 3.961 1.00 10.00 H new ATOM 0 HG22 ILE A 23 -4.353 2.039 5.401 1.00 10.00 H new ATOM 0 HG23 ILE A 23 -3.667 1.052 4.089 1.00 10.00 H new ATOM 0 HD11 ILE A 23 -4.654 2.945 0.447 1.00 10.00 H new ATOM 0 HD12 ILE A 23 -5.288 3.963 1.762 1.00 10.00 H new ATOM 0 HD13 ILE A 23 -3.722 3.139 1.951 1.00 10.00 H new ATOM 375 N LEU A 24 -6.007 -0.337 6.291 1.00 10.00 N ATOM 376 CA LEU A 24 -6.053 -0.453 7.740 1.00 10.00 C ATOM 377 C LEU A 24 -4.928 0.345 8.392 1.00 10.00 C ATOM 378 O LEU A 24 -5.172 1.218 9.225 1.00 10.00 O ATOM 379 CB LEU A 24 -5.958 -1.924 8.149 1.00 10.00 C ATOM 380 CG LEU A 24 -7.008 -2.843 7.519 1.00 10.00 C ATOM 381 CD1 LEU A 24 -6.618 -4.301 7.701 1.00 10.00 C ATOM 382 CD2 LEU A 24 -8.378 -2.577 8.122 1.00 10.00 C ATOM 0 H LEU A 24 -5.576 -1.132 5.819 1.00 10.00 H new ATOM 0 HA LEU A 24 -7.002 -0.043 8.085 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -4.968 -2.295 7.885 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -6.044 -1.990 9.234 1.00 10.00 H new ATOM 0 HG LEU A 24 -7.055 -2.631 6.451 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -7.376 -4.940 7.247 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -5.656 -4.483 7.222 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -6.542 -4.527 8.765 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -9.112 -3.239 7.663 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -8.345 -2.761 9.196 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -8.660 -1.540 7.940 1.00 10.00 H new ATOM 394 N SER A 25 -3.694 0.042 8.015 1.00 10.00 N ATOM 395 CA SER A 25 -2.536 0.727 8.572 1.00 10.00 C ATOM 396 C SER A 25 -1.375 0.732 7.585 1.00 10.00 C ATOM 397 O SER A 25 -1.146 -0.255 6.881 1.00 10.00 O ATOM 398 CB SER A 25 -2.098 0.050 9.874 1.00 10.00 C ATOM 399 OG SER A 25 -3.174 -0.045 10.793 1.00 10.00 O ATOM 0 H SER A 25 -3.469 -0.675 7.325 1.00 10.00 H new ATOM 0 HA SER A 25 -2.823 1.759 8.776 1.00 10.00 H new ATOM 0 HB2 SER A 25 -1.714 -0.947 9.657 1.00 10.00 H new ATOM 0 HB3 SER A 25 -1.282 0.615 10.324 1.00 10.00 H new ATOM 0 HG SER A 25 -2.865 -0.483 11.614 1.00 10.00 H new ATOM 405 N VAL A 26 -0.667 1.851 7.521 1.00 10.00 N ATOM 406 CA VAL A 26 0.487 1.988 6.642 1.00 10.00 C ATOM 407 C VAL A 26 1.763 2.079 7.473 1.00 10.00 C ATOM 408 O VAL A 26 1.832 2.848 8.435 1.00 10.00 O ATOM 409 CB VAL A 26 0.372 3.242 5.745 1.00 10.00 C ATOM 410 CG1 VAL A 26 1.604 3.400 4.870 1.00 10.00 C ATOM 411 CG2 VAL A 26 -0.878 3.178 4.884 1.00 10.00 C ATOM 0 H VAL A 26 -0.874 2.684 8.072 1.00 10.00 H new ATOM 0 HA VAL A 26 0.521 1.108 5.999 1.00 10.00 H new ATOM 0 HB VAL A 26 0.300 4.112 6.398 1.00 10.00 H new ATOM 0 HG11 VAL A 26 1.498 4.289 4.249 1.00 10.00 H new ATOM 0 HG12 VAL A 26 2.487 3.501 5.500 1.00 10.00 H new ATOM 0 HG13 VAL A 26 1.712 2.523 4.232 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -0.937 4.071 4.262 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -0.837 2.294 4.247 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.758 3.123 5.524 1.00 10.00 H new ATOM 421 N GLY A 27 2.755 1.273 7.124 1.00 10.00 N ATOM 422 CA GLY A 27 4.012 1.281 7.844 1.00 10.00 C ATOM 423 C GLY A 27 5.182 1.611 6.940 1.00 10.00 C ATOM 424 O GLY A 27 5.424 0.920 5.949 1.00 10.00 O ATOM 0 H GLY A 27 2.711 0.610 6.350 1.00 10.00 H new ATOM 0 HA2 GLY A 27 3.962 2.010 8.653 1.00 10.00 H new ATOM 0 HA3 GLY A 27 4.173 0.306 8.304 1.00 10.00 H new ATOM 428 N ARG A 28 5.916 2.657 7.280 1.00 10.00 N ATOM 429 CA ARG A 28 7.053 3.076 6.475 1.00 10.00 C ATOM 430 C ARG A 28 8.348 2.470 6.998 1.00 10.00 C ATOM 431 O ARG A 28 8.890 2.915 8.011 1.00 10.00 O ATOM 432 CB ARG A 28 7.163 4.604 6.451 1.00 10.00 C ATOM 433 CG ARG A 28 8.311 5.118 5.594 1.00 10.00 C ATOM 434 CD ARG A 28 8.251 6.628 5.432 1.00 10.00 C ATOM 435 NE ARG A 28 9.414 7.156 4.719 1.00 10.00 N ATOM 436 CZ ARG A 28 10.486 7.687 5.310 1.00 10.00 C ATOM 437 NH1 ARG A 28 10.563 7.761 6.637 1.00 10.00 N ATOM 438 NH2 ARG A 28 11.472 8.164 4.561 1.00 10.00 N ATOM 0 H ARG A 28 5.746 3.231 8.106 1.00 10.00 H new ATOM 0 HA ARG A 28 6.891 2.717 5.459 1.00 10.00 H new ATOM 0 HB2 ARG A 28 6.227 5.022 6.079 1.00 10.00 H new ATOM 0 HB3 ARG A 28 7.291 4.967 7.471 1.00 10.00 H new ATOM 0 HG2 ARG A 28 9.261 4.837 6.049 1.00 10.00 H new ATOM 0 HG3 ARG A 28 8.275 4.644 4.613 1.00 10.00 H new ATOM 0 HD2 ARG A 28 7.343 6.898 4.892 1.00 10.00 H new ATOM 0 HD3 ARG A 28 8.188 7.095 6.415 1.00 10.00 H new ATOM 0 HE ARG A 28 9.405 7.115 3.700 1.00 10.00 H new ATOM 0 HH11 ARG A 28 9.798 7.410 7.213 1.00 10.00 H new ATOM 0 HH12 ARG A 28 11.387 8.169 7.078 1.00 10.00 H new ATOM 0 HH21 ARG A 28 11.406 8.123 3.544 1.00 10.00 H new ATOM 0 HH22 ARG A 28 12.296 8.572 5.002 1.00 10.00 H new ATOM 452 N TYR A 29 8.831 1.445 6.313 1.00 10.00 N ATOM 453 CA TYR A 29 10.073 0.785 6.694 1.00 10.00 C ATOM 454 C TYR A 29 11.226 1.383 5.908 1.00 10.00 C ATOM 455 O TYR A 29 11.695 0.788 4.936 1.00 10.00 O ATOM 456 CB TYR A 29 9.995 -0.717 6.425 1.00 10.00 C ATOM 457 CG TYR A 29 9.299 -1.508 7.506 1.00 10.00 C ATOM 458 CD1 TYR A 29 8.002 -1.200 7.903 1.00 10.00 C ATOM 459 CD2 TYR A 29 9.938 -2.575 8.122 1.00 10.00 C ATOM 460 CE1 TYR A 29 7.367 -1.928 8.888 1.00 10.00 C ATOM 461 CE2 TYR A 29 9.310 -3.310 9.109 1.00 10.00 C ATOM 462 CZ TYR A 29 8.024 -2.983 9.486 1.00 10.00 C ATOM 463 OH TYR A 29 7.391 -3.713 10.465 1.00 10.00 O ATOM 0 H TYR A 29 8.381 1.050 5.487 1.00 10.00 H new ATOM 0 HA TYR A 29 10.234 0.937 7.761 1.00 10.00 H new ATOM 0 HB2 TYR A 29 9.474 -0.878 5.481 1.00 10.00 H new ATOM 0 HB3 TYR A 29 11.006 -1.105 6.302 1.00 10.00 H new ATOM 0 HD1 TYR A 29 7.484 -0.378 7.433 1.00 10.00 H new ATOM 0 HD2 TYR A 29 10.943 -2.835 7.825 1.00 10.00 H new ATOM 0 HE1 TYR A 29 6.362 -1.673 9.189 1.00 10.00 H new ATOM 0 HE2 TYR A 29 9.822 -4.135 9.582 1.00 10.00 H new ATOM 0 HH TYR A 29 7.989 -4.421 10.783 1.00 10.00 H new ATOM 473 N GLY A 30 11.664 2.564 6.322 1.00 10.00 N ATOM 474 CA GLY A 30 12.749 3.238 5.639 1.00 10.00 C ATOM 475 C GLY A 30 12.360 3.657 4.237 1.00 10.00 C ATOM 476 O GLY A 30 11.804 4.735 4.032 1.00 10.00 O ATOM 0 H GLY A 30 11.285 3.069 7.123 1.00 10.00 H new ATOM 0 HA2 GLY A 30 13.048 4.117 6.211 1.00 10.00 H new ATOM 0 HA3 GLY A 30 13.615 2.578 5.593 1.00 10.00 H new ATOM 480 N LYS A 31 12.648 2.802 3.270 1.00 10.00 N ATOM 481 CA LYS A 31 12.322 3.085 1.883 1.00 10.00 C ATOM 482 C LYS A 31 11.283 2.103 1.351 1.00 10.00 C ATOM 483 O LYS A 31 10.700 2.321 0.290 1.00 10.00 O ATOM 484 CB LYS A 31 13.583 3.041 1.020 1.00 10.00 C ATOM 485 CG LYS A 31 14.521 4.219 1.248 1.00 10.00 C ATOM 486 CD LYS A 31 13.868 5.537 0.862 1.00 10.00 C ATOM 487 CE LYS A 31 14.836 6.704 0.974 1.00 10.00 C ATOM 488 NZ LYS A 31 14.281 7.939 0.359 1.00 10.00 N ATOM 0 H LYS A 31 13.108 1.904 3.421 1.00 10.00 H new ATOM 0 HA LYS A 31 11.896 4.087 1.835 1.00 10.00 H new ATOM 0 HB2 LYS A 31 14.120 2.115 1.224 1.00 10.00 H new ATOM 0 HB3 LYS A 31 13.293 3.016 -0.030 1.00 10.00 H new ATOM 0 HG2 LYS A 31 14.816 4.252 2.297 1.00 10.00 H new ATOM 0 HG3 LYS A 31 15.431 4.079 0.665 1.00 10.00 H new ATOM 0 HD2 LYS A 31 13.495 5.472 -0.160 1.00 10.00 H new ATOM 0 HD3 LYS A 31 13.006 5.717 1.505 1.00 10.00 H new ATOM 0 HE2 LYS A 31 15.062 6.890 2.024 1.00 10.00 H new ATOM 0 HE3 LYS A 31 15.776 6.445 0.487 1.00 10.00 H new ATOM 0 HZ1 LYS A 31 14.827 8.763 0.682 1.00 10.00 H new ATOM 0 HZ2 LYS A 31 14.341 7.868 -0.677 1.00 10.00 H new ATOM 0 HZ3 LYS A 31 13.286 8.050 0.641 1.00 10.00 H new ATOM 502 N LEU A 32 11.048 1.029 2.094 1.00 10.00 N ATOM 503 CA LEU A 32 10.075 0.021 1.696 1.00 10.00 C ATOM 504 C LEU A 32 8.810 0.150 2.537 1.00 10.00 C ATOM 505 O LEU A 32 8.722 -0.389 3.639 1.00 10.00 O ATOM 506 CB LEU A 32 10.663 -1.387 1.838 1.00 10.00 C ATOM 507 CG LEU A 32 11.224 -2.002 0.551 1.00 10.00 C ATOM 508 CD1 LEU A 32 11.929 -3.311 0.856 1.00 10.00 C ATOM 509 CD2 LEU A 32 10.116 -2.224 -0.467 1.00 10.00 C ATOM 0 H LEU A 32 11.519 0.834 2.977 1.00 10.00 H new ATOM 0 HA LEU A 32 9.822 0.183 0.648 1.00 10.00 H new ATOM 0 HB2 LEU A 32 11.459 -1.356 2.582 1.00 10.00 H new ATOM 0 HB3 LEU A 32 9.888 -2.047 2.228 1.00 10.00 H new ATOM 0 HG LEU A 32 11.946 -1.306 0.125 1.00 10.00 H new ATOM 0 HD11 LEU A 32 12.322 -3.736 -0.067 1.00 10.00 H new ATOM 0 HD12 LEU A 32 12.750 -3.129 1.550 1.00 10.00 H new ATOM 0 HD13 LEU A 32 11.222 -4.009 1.305 1.00 10.00 H new ATOM 0 HD21 LEU A 32 10.536 -2.661 -1.373 1.00 10.00 H new ATOM 0 HD22 LEU A 32 9.369 -2.900 -0.050 1.00 10.00 H new ATOM 0 HD23 LEU A 32 9.647 -1.270 -0.708 1.00 10.00 H new ATOM 521 N ILE A 33 7.837 0.872 2.013 1.00 10.00 N ATOM 522 CA ILE A 33 6.581 1.086 2.711 1.00 10.00 C ATOM 523 C ILE A 33 5.666 -0.120 2.542 1.00 10.00 C ATOM 524 O ILE A 33 5.437 -0.579 1.428 1.00 10.00 O ATOM 525 CB ILE A 33 5.868 2.355 2.195 1.00 10.00 C ATOM 526 CG1 ILE A 33 6.804 3.562 2.290 1.00 10.00 C ATOM 527 CG2 ILE A 33 4.593 2.610 2.987 1.00 10.00 C ATOM 528 CD1 ILE A 33 6.365 4.741 1.451 1.00 10.00 C ATOM 0 H ILE A 33 7.893 1.323 1.100 1.00 10.00 H new ATOM 0 HA ILE A 33 6.807 1.220 3.769 1.00 10.00 H new ATOM 0 HB ILE A 33 5.599 2.202 1.150 1.00 10.00 H new ATOM 0 HG12 ILE A 33 6.874 3.875 3.332 1.00 10.00 H new ATOM 0 HG13 ILE A 33 7.804 3.260 1.980 1.00 10.00 H new ATOM 0 HG21 ILE A 33 4.104 3.508 2.610 1.00 10.00 H new ATOM 0 HG22 ILE A 33 3.921 1.758 2.879 1.00 10.00 H new ATOM 0 HG23 ILE A 33 4.840 2.746 4.040 1.00 10.00 H new ATOM 0 HD11 ILE A 33 7.077 5.557 1.570 1.00 10.00 H new ATOM 0 HD12 ILE A 33 6.323 4.446 0.403 1.00 10.00 H new ATOM 0 HD13 ILE A 33 5.378 5.071 1.775 1.00 10.00 H new ATOM 540 N HIS A 34 5.161 -0.636 3.652 1.00 10.00 N ATOM 541 CA HIS A 34 4.270 -1.786 3.631 1.00 10.00 C ATOM 542 C HIS A 34 2.936 -1.406 4.259 1.00 10.00 C ATOM 543 O HIS A 34 2.901 -0.821 5.340 1.00 10.00 O ATOM 544 CB HIS A 34 4.909 -2.957 4.389 1.00 10.00 C ATOM 545 CG HIS A 34 4.083 -4.210 4.415 1.00 10.00 C ATOM 546 ND1 HIS A 34 3.994 -5.105 3.369 1.00 10.00 N ATOM 547 CD2 HIS A 34 3.301 -4.717 5.404 1.00 10.00 C ATOM 548 CE1 HIS A 34 3.188 -6.103 3.749 1.00 10.00 C ATOM 549 NE2 HIS A 34 2.739 -5.918 4.973 1.00 10.00 N ATOM 0 H HIS A 34 5.355 -0.273 4.585 1.00 10.00 H new ATOM 0 HA HIS A 34 4.099 -2.096 2.600 1.00 10.00 H new ATOM 0 HB2 HIS A 34 5.874 -3.183 3.935 1.00 10.00 H new ATOM 0 HB3 HIS A 34 5.104 -2.645 5.415 1.00 10.00 H new ATOM 0 HD1 HIS A 34 4.460 -5.021 2.466 1.00 10.00 H new ATOM 0 HD2 HIS A 34 3.140 -4.262 6.370 1.00 10.00 H new ATOM 0 HE1 HIS A 34 2.938 -6.952 3.131 1.00 10.00 H new ATOM 557 N PHE A 35 1.843 -1.722 3.582 1.00 10.00 N ATOM 558 CA PHE A 35 0.526 -1.391 4.097 1.00 10.00 C ATOM 559 C PHE A 35 -0.367 -2.622 4.151 1.00 10.00 C ATOM 560 O PHE A 35 -0.199 -3.567 3.376 1.00 10.00 O ATOM 561 CB PHE A 35 -0.128 -0.287 3.253 1.00 10.00 C ATOM 562 CG PHE A 35 -0.857 -0.775 2.029 1.00 10.00 C ATOM 563 CD1 PHE A 35 -2.224 -0.595 1.907 1.00 10.00 C ATOM 564 CD2 PHE A 35 -0.176 -1.412 1.003 1.00 10.00 C ATOM 565 CE1 PHE A 35 -2.896 -1.032 0.784 1.00 10.00 C ATOM 566 CE2 PHE A 35 -0.845 -1.854 -0.121 1.00 10.00 C ATOM 567 CZ PHE A 35 -2.204 -1.667 -0.230 1.00 10.00 C ATOM 0 H PHE A 35 1.842 -2.203 2.683 1.00 10.00 H new ATOM 0 HA PHE A 35 0.650 -1.019 5.114 1.00 10.00 H new ATOM 0 HB2 PHE A 35 -0.829 0.263 3.881 1.00 10.00 H new ATOM 0 HB3 PHE A 35 0.643 0.418 2.942 1.00 10.00 H new ATOM 0 HD1 PHE A 35 -2.771 -0.107 2.700 1.00 10.00 H new ATOM 0 HD2 PHE A 35 0.890 -1.564 1.084 1.00 10.00 H new ATOM 0 HE1 PHE A 35 -3.961 -0.878 0.697 1.00 10.00 H new ATOM 0 HE2 PHE A 35 -0.302 -2.346 -0.914 1.00 10.00 H new ATOM 0 HZ PHE A 35 -2.729 -2.016 -1.107 1.00 10.00 H new ATOM 577 N LEU A 36 -1.303 -2.605 5.085 1.00 10.00 N ATOM 578 CA LEU A 36 -2.245 -3.697 5.255 1.00 10.00 C ATOM 579 C LEU A 36 -3.640 -3.202 4.906 1.00 10.00 C ATOM 580 O LEU A 36 -4.089 -2.184 5.439 1.00 10.00 O ATOM 581 CB LEU A 36 -2.214 -4.225 6.697 1.00 10.00 C ATOM 582 CG LEU A 36 -0.928 -4.960 7.107 1.00 10.00 C ATOM 583 CD1 LEU A 36 0.159 -3.978 7.523 1.00 10.00 C ATOM 584 CD2 LEU A 36 -1.214 -5.941 8.234 1.00 10.00 C ATOM 0 H LEU A 36 -1.431 -1.837 5.744 1.00 10.00 H new ATOM 0 HA LEU A 36 -1.967 -4.517 4.593 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -2.363 -3.385 7.376 1.00 10.00 H new ATOM 0 HB3 LEU A 36 -3.058 -4.901 6.836 1.00 10.00 H new ATOM 0 HG LEU A 36 -0.567 -5.515 6.241 1.00 10.00 H new ATOM 0 HD11 LEU A 36 1.056 -4.528 7.808 1.00 10.00 H new ATOM 0 HD12 LEU A 36 0.389 -3.315 6.689 1.00 10.00 H new ATOM 0 HD13 LEU A 36 -0.189 -3.388 8.371 1.00 10.00 H new ATOM 0 HD21 LEU A 36 -0.293 -6.453 8.513 1.00 10.00 H new ATOM 0 HD22 LEU A 36 -1.604 -5.401 9.097 1.00 10.00 H new ATOM 0 HD23 LEU A 36 -1.950 -6.673 7.901 1.00 10.00 H new ATOM 596 N TYR A 37 -4.318 -3.898 4.006 1.00 10.00 N ATOM 597 CA TYR A 37 -5.655 -3.494 3.593 1.00 10.00 C ATOM 598 C TYR A 37 -6.633 -4.653 3.712 1.00 10.00 C ATOM 599 O TYR A 37 -6.258 -5.809 3.531 1.00 10.00 O ATOM 600 CB TYR A 37 -5.640 -2.947 2.158 1.00 10.00 C ATOM 601 CG TYR A 37 -5.345 -3.974 1.081 1.00 10.00 C ATOM 602 CD1 TYR A 37 -6.369 -4.497 0.298 1.00 10.00 C ATOM 603 CD2 TYR A 37 -4.050 -4.412 0.840 1.00 10.00 C ATOM 604 CE1 TYR A 37 -6.107 -5.425 -0.690 1.00 10.00 C ATOM 605 CE2 TYR A 37 -3.782 -5.340 -0.147 1.00 10.00 C ATOM 606 CZ TYR A 37 -4.814 -5.844 -0.909 1.00 10.00 C ATOM 607 OH TYR A 37 -4.555 -6.778 -1.889 1.00 10.00 O ATOM 0 H TYR A 37 -3.968 -4.740 3.550 1.00 10.00 H new ATOM 0 HA TYR A 37 -5.987 -2.698 4.260 1.00 10.00 H new ATOM 0 HB2 TYR A 37 -6.608 -2.492 1.949 1.00 10.00 H new ATOM 0 HB3 TYR A 37 -4.895 -2.154 2.096 1.00 10.00 H new ATOM 0 HD1 TYR A 37 -7.385 -4.172 0.466 1.00 10.00 H new ATOM 0 HD2 TYR A 37 -3.238 -4.020 1.435 1.00 10.00 H new ATOM 0 HE1 TYR A 37 -6.914 -5.821 -1.289 1.00 10.00 H new ATOM 0 HE2 TYR A 37 -2.768 -5.669 -0.321 1.00 10.00 H new ATOM 0 HH TYR A 37 -4.121 -7.560 -1.489 1.00 10.00 H new ATOM 617 N ASP A 38 -7.885 -4.338 4.017 1.00 10.00 N ATOM 618 CA ASP A 38 -8.911 -5.364 4.169 1.00 10.00 C ATOM 619 C ASP A 38 -9.556 -5.707 2.832 1.00 10.00 C ATOM 620 O ASP A 38 -10.046 -4.829 2.116 1.00 10.00 O ATOM 621 CB ASP A 38 -9.993 -4.920 5.153 1.00 10.00 C ATOM 622 CG ASP A 38 -11.050 -5.991 5.362 1.00 10.00 C ATOM 623 OD1 ASP A 38 -10.702 -7.088 5.839 1.00 10.00 O ATOM 624 OD2 ASP A 38 -12.237 -5.733 5.070 1.00 10.00 O ATOM 0 H ASP A 38 -8.215 -3.384 4.164 1.00 10.00 H new ATOM 0 HA ASP A 38 -8.416 -6.253 4.560 1.00 10.00 H new ATOM 0 HB2 ASP A 38 -9.533 -4.674 6.110 1.00 10.00 H new ATOM 0 HB3 ASP A 38 -10.467 -4.011 4.784 1.00 10.00 H new ATOM 629 N LEU A 39 -9.559 -6.986 2.502 1.00 10.00 N ATOM 630 CA LEU A 39 -10.146 -7.449 1.258 1.00 10.00 C ATOM 631 C LEU A 39 -11.557 -7.956 1.495 1.00 10.00 C ATOM 632 O LEU A 39 -12.516 -7.445 0.917 1.00 10.00 O ATOM 633 CB LEU A 39 -9.279 -8.547 0.639 1.00 10.00 C ATOM 634 CG LEU A 39 -8.206 -8.045 -0.323 1.00 10.00 C ATOM 635 CD1 LEU A 39 -7.128 -9.098 -0.524 1.00 10.00 C ATOM 636 CD2 LEU A 39 -8.837 -7.663 -1.655 1.00 10.00 C ATOM 0 H LEU A 39 -9.160 -7.725 3.081 1.00 10.00 H new ATOM 0 HA LEU A 39 -10.194 -6.611 0.562 1.00 10.00 H new ATOM 0 HB2 LEU A 39 -8.796 -9.105 1.441 1.00 10.00 H new ATOM 0 HB3 LEU A 39 -9.926 -9.246 0.108 1.00 10.00 H new ATOM 0 HG LEU A 39 -7.737 -7.161 0.109 1.00 10.00 H new ATOM 0 HD11 LEU A 39 -6.373 -8.719 -1.213 1.00 10.00 H new ATOM 0 HD12 LEU A 39 -6.662 -9.329 0.434 1.00 10.00 H new ATOM 0 HD13 LEU A 39 -7.575 -10.002 -0.937 1.00 10.00 H new ATOM 0 HD21 LEU A 39 -8.064 -7.306 -2.335 1.00 10.00 H new ATOM 0 HD22 LEU A 39 -9.327 -8.535 -2.089 1.00 10.00 H new ATOM 0 HD23 LEU A 39 -9.573 -6.875 -1.496 1.00 10.00 H new ATOM 648 N GLY A 40 -11.681 -8.946 2.360 1.00 10.00 N ATOM 649 CA GLY A 40 -12.977 -9.506 2.659 1.00 10.00 C ATOM 650 C GLY A 40 -12.959 -11.016 2.628 1.00 10.00 C ATOM 651 O GLY A 40 -11.914 -11.626 2.396 1.00 10.00 O ATOM 0 H GLY A 40 -10.903 -9.373 2.863 1.00 10.00 H new ATOM 0 HA2 GLY A 40 -13.301 -9.167 3.643 1.00 10.00 H new ATOM 0 HA3 GLY A 40 -13.707 -9.137 1.939 1.00 10.00 H new ATOM 655 N GLY A 41 -14.108 -11.624 2.876 1.00 10.00 N ATOM 656 CA GLY A 41 -14.194 -13.071 2.867 1.00 10.00 C ATOM 657 C GLY A 41 -13.550 -13.696 4.091 1.00 10.00 C ATOM 658 O GLY A 41 -13.382 -14.915 4.158 1.00 10.00 O ATOM 0 H GLY A 41 -14.983 -11.143 3.083 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -15.241 -13.370 2.818 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -13.710 -13.456 1.969 1.00 10.00 H new ATOM 662 N GLY A 42 -13.181 -12.860 5.056 1.00 10.00 N ATOM 663 CA GLY A 42 -12.567 -13.354 6.272 1.00 10.00 C ATOM 664 C GLY A 42 -11.080 -13.072 6.341 1.00 10.00 C ATOM 665 O GLY A 42 -10.465 -13.224 7.398 1.00 10.00 O ATOM 0 H GLY A 42 -13.297 -11.847 5.016 1.00 10.00 H new ATOM 0 HA2 GLY A 42 -13.058 -12.898 7.132 1.00 10.00 H new ATOM 0 HA3 GLY A 42 -12.731 -14.429 6.345 1.00 10.00 H new ATOM 669 N LYS A 43 -10.489 -12.664 5.227 1.00 10.00 N ATOM 670 CA LYS A 43 -9.063 -12.377 5.203 1.00 10.00 C ATOM 671 C LYS A 43 -8.778 -11.012 4.586 1.00 10.00 C ATOM 672 O LYS A 43 -9.644 -10.398 3.957 1.00 10.00 O ATOM 673 CB LYS A 43 -8.298 -13.464 4.442 1.00 10.00 C ATOM 674 CG LYS A 43 -8.741 -13.640 2.998 1.00 10.00 C ATOM 675 CD LYS A 43 -9.466 -14.965 2.790 1.00 10.00 C ATOM 676 CE LYS A 43 -8.529 -16.058 2.293 1.00 10.00 C ATOM 677 NZ LYS A 43 -7.387 -16.292 3.216 1.00 10.00 N ATOM 0 H LYS A 43 -10.969 -12.526 4.338 1.00 10.00 H new ATOM 0 HA LYS A 43 -8.720 -12.363 6.237 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -7.235 -13.224 4.458 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -8.418 -14.412 4.966 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -9.398 -12.817 2.716 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -7.872 -13.594 2.342 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -9.923 -15.279 3.728 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -10.274 -14.827 2.072 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -9.089 -16.985 2.171 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -8.147 -15.785 1.309 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -6.959 -17.218 3.011 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -6.676 -15.545 3.084 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -7.726 -16.277 4.199 1.00 10.00 H new ATOM 691 N ALA A 44 -7.555 -10.545 4.773 1.00 10.00 N ATOM 692 CA ALA A 44 -7.135 -9.260 4.247 1.00 10.00 C ATOM 693 C ALA A 44 -5.928 -9.431 3.334 1.00 10.00 C ATOM 694 O ALA A 44 -5.540 -10.553 3.009 1.00 10.00 O ATOM 695 CB ALA A 44 -6.821 -8.313 5.395 1.00 10.00 C ATOM 0 H ALA A 44 -6.831 -11.043 5.290 1.00 10.00 H new ATOM 0 HA ALA A 44 -7.944 -8.832 3.656 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -6.506 -7.349 4.996 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -7.711 -8.178 6.009 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -6.020 -8.733 6.004 1.00 10.00 H new ATOM 701 N GLY A 45 -5.338 -8.321 2.927 1.00 10.00 N ATOM 702 CA GLY A 45 -4.184 -8.375 2.057 1.00 10.00 C ATOM 703 C GLY A 45 -3.074 -7.475 2.543 1.00 10.00 C ATOM 704 O GLY A 45 -3.191 -6.853 3.605 1.00 10.00 O ATOM 0 H GLY A 45 -5.638 -7.381 3.184 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -3.821 -9.401 1.998 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -4.475 -8.081 1.048 1.00 10.00 H new ATOM 708 N MET A 46 -2.010 -7.386 1.763 1.00 10.00 N ATOM 709 CA MET A 46 -0.863 -6.559 2.112 1.00 10.00 C ATOM 710 C MET A 46 -0.076 -6.206 0.856 1.00 10.00 C ATOM 711 O MET A 46 -0.176 -6.899 -0.153 1.00 10.00 O ATOM 712 CB MET A 46 0.037 -7.292 3.112 1.00 10.00 C ATOM 713 CG MET A 46 0.708 -8.538 2.548 1.00 10.00 C ATOM 714 SD MET A 46 1.628 -9.456 3.802 1.00 10.00 S ATOM 715 CE MET A 46 2.457 -10.673 2.781 1.00 10.00 C ATOM 0 H MET A 46 -1.915 -7.880 0.876 1.00 10.00 H new ATOM 0 HA MET A 46 -1.220 -5.640 2.576 1.00 10.00 H new ATOM 0 HB2 MET A 46 0.807 -6.605 3.463 1.00 10.00 H new ATOM 0 HB3 MET A 46 -0.558 -7.574 3.981 1.00 10.00 H new ATOM 0 HG2 MET A 46 -0.049 -9.188 2.110 1.00 10.00 H new ATOM 0 HG3 MET A 46 1.385 -8.250 1.744 1.00 10.00 H new ATOM 0 HE1 MET A 46 2.256 -11.671 3.170 1.00 10.00 H new ATOM 0 HE2 MET A 46 2.089 -10.601 1.758 1.00 10.00 H new ATOM 0 HE3 MET A 46 3.531 -10.488 2.794 1.00 10.00 H new ATOM 725 N GLY A 47 0.693 -5.128 0.917 1.00 10.00 N ATOM 726 CA GLY A 47 1.481 -4.718 -0.232 1.00 10.00 C ATOM 727 C GLY A 47 2.621 -3.801 0.148 1.00 10.00 C ATOM 728 O GLY A 47 2.476 -2.949 1.028 1.00 10.00 O ATOM 0 H GLY A 47 0.787 -4.530 1.738 1.00 10.00 H new ATOM 0 HA2 GLY A 47 1.880 -5.602 -0.730 1.00 10.00 H new ATOM 0 HA3 GLY A 47 0.835 -4.212 -0.950 1.00 10.00 H new ATOM 732 N MET A 48 3.758 -3.985 -0.502 1.00 10.00 N ATOM 733 CA MET A 48 4.931 -3.172 -0.241 1.00 10.00 C ATOM 734 C MET A 48 5.275 -2.319 -1.457 1.00 10.00 C ATOM 735 O MET A 48 5.120 -2.749 -2.599 1.00 10.00 O ATOM 736 CB MET A 48 6.113 -4.066 0.129 1.00 10.00 C ATOM 737 CG MET A 48 6.936 -3.535 1.287 1.00 10.00 C ATOM 738 SD MET A 48 7.564 -4.851 2.355 1.00 10.00 S ATOM 739 CE MET A 48 8.461 -5.861 1.177 1.00 10.00 C ATOM 0 H MET A 48 3.892 -4.697 -1.220 1.00 10.00 H new ATOM 0 HA MET A 48 4.714 -2.506 0.594 1.00 10.00 H new ATOM 0 HB2 MET A 48 5.742 -5.059 0.383 1.00 10.00 H new ATOM 0 HB3 MET A 48 6.758 -4.180 -0.742 1.00 10.00 H new ATOM 0 HG2 MET A 48 7.774 -2.957 0.897 1.00 10.00 H new ATOM 0 HG3 MET A 48 6.326 -2.852 1.878 1.00 10.00 H new ATOM 0 HE1 MET A 48 9.305 -6.338 1.675 1.00 10.00 H new ATOM 0 HE2 MET A 48 7.797 -6.626 0.774 1.00 10.00 H new ATOM 0 HE3 MET A 48 8.827 -5.234 0.364 1.00 10.00 H new ATOM 749 N VAL A 49 5.721 -1.101 -1.205 1.00 10.00 N ATOM 750 CA VAL A 49 6.093 -0.181 -2.267 1.00 10.00 C ATOM 751 C VAL A 49 7.269 0.677 -1.814 1.00 10.00 C ATOM 752 O VAL A 49 7.378 1.024 -0.638 1.00 10.00 O ATOM 753 CB VAL A 49 4.901 0.718 -2.689 1.00 10.00 C ATOM 754 CG1 VAL A 49 4.563 1.739 -1.613 1.00 10.00 C ATOM 755 CG2 VAL A 49 5.182 1.401 -4.021 1.00 10.00 C ATOM 0 H VAL A 49 5.835 -0.723 -0.265 1.00 10.00 H new ATOM 0 HA VAL A 49 6.384 -0.768 -3.138 1.00 10.00 H new ATOM 0 HB VAL A 49 4.030 0.074 -2.814 1.00 10.00 H new ATOM 0 HG11 VAL A 49 3.724 2.351 -1.943 1.00 10.00 H new ATOM 0 HG12 VAL A 49 4.295 1.222 -0.692 1.00 10.00 H new ATOM 0 HG13 VAL A 49 5.428 2.377 -1.432 1.00 10.00 H new ATOM 0 HG21 VAL A 49 4.332 2.026 -4.296 1.00 10.00 H new ATOM 0 HG22 VAL A 49 6.074 2.021 -3.931 1.00 10.00 H new ATOM 0 HG23 VAL A 49 5.341 0.646 -4.791 1.00 10.00 H new ATOM 765 N SER A 50 8.167 0.979 -2.733 1.00 10.00 N ATOM 766 CA SER A 50 9.324 1.792 -2.415 1.00 10.00 C ATOM 767 C SER A 50 8.999 3.269 -2.603 1.00 10.00 C ATOM 768 O SER A 50 8.043 3.613 -3.300 1.00 10.00 O ATOM 769 CB SER A 50 10.507 1.399 -3.300 1.00 10.00 C ATOM 770 OG SER A 50 10.311 1.831 -4.637 1.00 10.00 O ATOM 0 H SER A 50 8.117 0.673 -3.705 1.00 10.00 H new ATOM 0 HA SER A 50 9.593 1.621 -1.373 1.00 10.00 H new ATOM 0 HB2 SER A 50 11.423 1.837 -2.904 1.00 10.00 H new ATOM 0 HB3 SER A 50 10.637 0.317 -3.280 1.00 10.00 H new ATOM 0 HG SER A 50 10.030 1.071 -5.189 1.00 10.00 H new ATOM 776 N GLU A 51 9.793 4.138 -1.988 1.00 10.00 N ATOM 777 CA GLU A 51 9.578 5.577 -2.105 1.00 10.00 C ATOM 778 C GLU A 51 9.781 6.045 -3.546 1.00 10.00 C ATOM 779 O GLU A 51 9.251 7.075 -3.954 1.00 10.00 O ATOM 780 CB GLU A 51 10.511 6.350 -1.170 1.00 10.00 C ATOM 781 CG GLU A 51 10.092 6.299 0.293 1.00 10.00 C ATOM 782 CD GLU A 51 10.593 7.491 1.084 1.00 10.00 C ATOM 783 OE1 GLU A 51 11.610 8.096 0.679 1.00 10.00 O ATOM 784 OE2 GLU A 51 9.972 7.830 2.114 1.00 10.00 O ATOM 0 H GLU A 51 10.588 3.874 -1.406 1.00 10.00 H new ATOM 0 HA GLU A 51 8.547 5.779 -1.814 1.00 10.00 H new ATOM 0 HB2 GLU A 51 11.520 5.948 -1.264 1.00 10.00 H new ATOM 0 HB3 GLU A 51 10.552 7.391 -1.491 1.00 10.00 H new ATOM 0 HG2 GLU A 51 9.005 6.258 0.355 1.00 10.00 H new ATOM 0 HG3 GLU A 51 10.472 5.382 0.744 1.00 10.00 H new ATOM 791 N LYS A 52 10.542 5.281 -4.315 1.00 10.00 N ATOM 792 CA LYS A 52 10.804 5.628 -5.706 1.00 10.00 C ATOM 793 C LYS A 52 9.655 5.186 -6.602 1.00 10.00 C ATOM 794 O LYS A 52 9.382 5.802 -7.633 1.00 10.00 O ATOM 795 CB LYS A 52 12.116 4.999 -6.176 1.00 10.00 C ATOM 796 CG LYS A 52 13.345 5.694 -5.620 1.00 10.00 C ATOM 797 CD LYS A 52 14.625 4.970 -6.003 1.00 10.00 C ATOM 798 CE LYS A 52 15.838 5.641 -5.387 1.00 10.00 C ATOM 799 NZ LYS A 52 17.104 4.952 -5.751 1.00 10.00 N ATOM 0 H LYS A 52 10.988 4.419 -4.002 1.00 10.00 H new ATOM 0 HA LYS A 52 10.892 6.712 -5.774 1.00 10.00 H new ATOM 0 HB2 LYS A 52 12.135 3.950 -5.880 1.00 10.00 H new ATOM 0 HB3 LYS A 52 12.154 5.024 -7.265 1.00 10.00 H new ATOM 0 HG2 LYS A 52 13.382 6.718 -5.991 1.00 10.00 H new ATOM 0 HG3 LYS A 52 13.270 5.750 -4.534 1.00 10.00 H new ATOM 0 HD2 LYS A 52 14.572 3.933 -5.672 1.00 10.00 H new ATOM 0 HD3 LYS A 52 14.726 4.954 -7.088 1.00 10.00 H new ATOM 0 HE2 LYS A 52 15.883 6.679 -5.716 1.00 10.00 H new ATOM 0 HE3 LYS A 52 15.732 5.655 -4.302 1.00 10.00 H new ATOM 0 HZ1 LYS A 52 17.907 5.444 -5.309 1.00 10.00 H new ATOM 0 HZ2 LYS A 52 17.073 3.968 -5.415 1.00 10.00 H new ATOM 0 HZ3 LYS A 52 17.219 4.961 -6.785 1.00 10.00 H new ATOM 813 N ASP A 53 8.981 4.115 -6.205 1.00 10.00 N ATOM 814 CA ASP A 53 7.859 3.592 -6.977 1.00 10.00 C ATOM 815 C ASP A 53 6.557 4.254 -6.548 1.00 10.00 C ATOM 816 O ASP A 53 5.542 4.152 -7.235 1.00 10.00 O ATOM 817 CB ASP A 53 7.739 2.073 -6.812 1.00 10.00 C ATOM 818 CG ASP A 53 8.859 1.310 -7.493 1.00 10.00 C ATOM 819 OD1 ASP A 53 9.075 1.505 -8.708 1.00 10.00 O ATOM 820 OD2 ASP A 53 9.515 0.486 -6.818 1.00 10.00 O ATOM 0 H ASP A 53 9.190 3.591 -5.355 1.00 10.00 H new ATOM 0 HA ASP A 53 8.047 3.818 -8.027 1.00 10.00 H new ATOM 0 HB2 ASP A 53 7.734 1.828 -5.750 1.00 10.00 H new ATOM 0 HB3 ASP A 53 6.783 1.744 -7.219 1.00 10.00 H new ATOM 825 N ALA A 54 6.589 4.926 -5.408 1.00 10.00 N ATOM 826 CA ALA A 54 5.411 5.598 -4.885 1.00 10.00 C ATOM 827 C ALA A 54 5.439 7.093 -5.195 1.00 10.00 C ATOM 828 O ALA A 54 6.360 7.803 -4.788 1.00 10.00 O ATOM 829 CB ALA A 54 5.301 5.375 -3.383 1.00 10.00 C ATOM 0 H ALA A 54 7.421 5.020 -4.826 1.00 10.00 H new ATOM 0 HA ALA A 54 4.536 5.170 -5.375 1.00 10.00 H new ATOM 0 HB1 ALA A 54 4.415 5.883 -3.004 1.00 10.00 H new ATOM 0 HB2 ALA A 54 5.222 4.307 -3.178 1.00 10.00 H new ATOM 0 HB3 ALA A 54 6.187 5.774 -2.890 1.00 10.00 H new ATOM 835 N PRO A 55 4.432 7.585 -5.942 1.00 10.00 N ATOM 836 CA PRO A 55 4.326 9.008 -6.286 1.00 10.00 C ATOM 837 C PRO A 55 4.161 9.873 -5.040 1.00 10.00 C ATOM 838 O PRO A 55 3.553 9.445 -4.060 1.00 10.00 O ATOM 839 CB PRO A 55 3.063 9.082 -7.156 1.00 10.00 C ATOM 840 CG PRO A 55 2.812 7.687 -7.612 1.00 10.00 C ATOM 841 CD PRO A 55 3.332 6.795 -6.523 1.00 10.00 C ATOM 0 HA PRO A 55 5.219 9.377 -6.790 1.00 10.00 H new ATOM 0 HB2 PRO A 55 2.217 9.467 -6.587 1.00 10.00 H new ATOM 0 HB3 PRO A 55 3.209 9.752 -8.004 1.00 10.00 H new ATOM 0 HG2 PRO A 55 1.749 7.517 -7.781 1.00 10.00 H new ATOM 0 HG3 PRO A 55 3.320 7.488 -8.555 1.00 10.00 H new ATOM 0 HD2 PRO A 55 2.563 6.570 -5.784 1.00 10.00 H new ATOM 0 HD3 PRO A 55 3.684 5.842 -6.916 1.00 10.00 H new ATOM 849 N LYS A 56 4.685 11.093 -5.090 1.00 10.00 N ATOM 850 CA LYS A 56 4.610 12.015 -3.957 1.00 10.00 C ATOM 851 C LYS A 56 3.164 12.285 -3.548 1.00 10.00 C ATOM 852 O LYS A 56 2.861 12.419 -2.362 1.00 10.00 O ATOM 853 CB LYS A 56 5.313 13.327 -4.297 1.00 10.00 C ATOM 854 CG LYS A 56 6.825 13.202 -4.356 1.00 10.00 C ATOM 855 CD LYS A 56 7.467 14.462 -4.900 1.00 10.00 C ATOM 856 CE LYS A 56 8.969 14.296 -5.040 1.00 10.00 C ATOM 857 NZ LYS A 56 9.596 15.454 -5.731 1.00 10.00 N ATOM 0 H LYS A 56 5.169 11.470 -5.905 1.00 10.00 H new ATOM 0 HA LYS A 56 5.114 11.545 -3.112 1.00 10.00 H new ATOM 0 HB2 LYS A 56 4.948 13.688 -5.258 1.00 10.00 H new ATOM 0 HB3 LYS A 56 5.046 14.077 -3.553 1.00 10.00 H new ATOM 0 HG2 LYS A 56 7.213 12.997 -3.358 1.00 10.00 H new ATOM 0 HG3 LYS A 56 7.096 12.354 -4.985 1.00 10.00 H new ATOM 0 HD2 LYS A 56 7.033 14.705 -5.870 1.00 10.00 H new ATOM 0 HD3 LYS A 56 7.251 15.299 -4.236 1.00 10.00 H new ATOM 0 HE2 LYS A 56 9.414 14.179 -4.052 1.00 10.00 H new ATOM 0 HE3 LYS A 56 9.182 13.383 -5.596 1.00 10.00 H new ATOM 0 HZ1 LYS A 56 10.622 15.300 -5.806 1.00 10.00 H new ATOM 0 HZ2 LYS A 56 9.190 15.551 -6.684 1.00 10.00 H new ATOM 0 HZ3 LYS A 56 9.415 16.322 -5.188 1.00 10.00 H new ATOM 871 N GLU A 57 2.281 12.360 -4.536 1.00 10.00 N ATOM 872 CA GLU A 57 0.867 12.602 -4.291 1.00 10.00 C ATOM 873 C GLU A 57 0.276 11.509 -3.403 1.00 10.00 C ATOM 874 O GLU A 57 -0.378 11.790 -2.394 1.00 10.00 O ATOM 875 CB GLU A 57 0.119 12.661 -5.621 1.00 10.00 C ATOM 876 CG GLU A 57 -1.387 12.554 -5.480 1.00 10.00 C ATOM 877 CD GLU A 57 -2.088 12.550 -6.815 1.00 10.00 C ATOM 878 OE1 GLU A 57 -1.661 11.799 -7.716 1.00 10.00 O ATOM 879 OE2 GLU A 57 -3.075 13.299 -6.972 1.00 10.00 O ATOM 0 H GLU A 57 2.523 12.256 -5.521 1.00 10.00 H new ATOM 0 HA GLU A 57 0.760 13.555 -3.773 1.00 10.00 H new ATOM 0 HB2 GLU A 57 0.362 13.597 -6.123 1.00 10.00 H new ATOM 0 HB3 GLU A 57 0.473 11.854 -6.263 1.00 10.00 H new ATOM 0 HG2 GLU A 57 -1.635 11.641 -4.939 1.00 10.00 H new ATOM 0 HG3 GLU A 57 -1.754 13.388 -4.882 1.00 10.00 H new ATOM 886 N LEU A 58 0.534 10.264 -3.776 1.00 10.00 N ATOM 887 CA LEU A 58 0.034 9.124 -3.025 1.00 10.00 C ATOM 888 C LEU A 58 0.812 8.958 -1.726 1.00 10.00 C ATOM 889 O LEU A 58 0.263 8.522 -0.716 1.00 10.00 O ATOM 890 CB LEU A 58 0.125 7.850 -3.866 1.00 10.00 C ATOM 891 CG LEU A 58 -0.675 7.886 -5.171 1.00 10.00 C ATOM 892 CD1 LEU A 58 -0.500 6.593 -5.945 1.00 10.00 C ATOM 893 CD2 LEU A 58 -2.147 8.143 -4.893 1.00 10.00 C ATOM 0 H LEU A 58 1.088 10.018 -4.596 1.00 10.00 H new ATOM 0 HA LEU A 58 -1.013 9.305 -2.780 1.00 10.00 H new ATOM 0 HB2 LEU A 58 1.172 7.661 -4.103 1.00 10.00 H new ATOM 0 HB3 LEU A 58 -0.223 7.009 -3.266 1.00 10.00 H new ATOM 0 HG LEU A 58 -0.292 8.705 -5.780 1.00 10.00 H new ATOM 0 HD11 LEU A 58 -1.077 6.641 -6.868 1.00 10.00 H new ATOM 0 HD12 LEU A 58 0.554 6.451 -6.183 1.00 10.00 H new ATOM 0 HD13 LEU A 58 -0.851 5.757 -5.341 1.00 10.00 H new ATOM 0 HD21 LEU A 58 -2.697 8.165 -5.834 1.00 10.00 H new ATOM 0 HD22 LEU A 58 -2.542 7.348 -4.260 1.00 10.00 H new ATOM 0 HD23 LEU A 58 -2.260 9.101 -4.385 1.00 10.00 H new ATOM 905 N LEU A 59 2.091 9.324 -1.761 1.00 10.00 N ATOM 906 CA LEU A 59 2.957 9.243 -0.592 1.00 10.00 C ATOM 907 C LEU A 59 2.396 10.103 0.535 1.00 10.00 C ATOM 908 O LEU A 59 2.462 9.736 1.710 1.00 10.00 O ATOM 909 CB LEU A 59 4.368 9.715 -0.950 1.00 10.00 C ATOM 910 CG LEU A 59 5.440 9.408 0.090 1.00 10.00 C ATOM 911 CD1 LEU A 59 6.006 8.016 -0.127 1.00 10.00 C ATOM 912 CD2 LEU A 59 6.544 10.450 0.040 1.00 10.00 C ATOM 0 H LEU A 59 2.553 9.683 -2.597 1.00 10.00 H new ATOM 0 HA LEU A 59 3.002 8.206 -0.260 1.00 10.00 H new ATOM 0 HB2 LEU A 59 4.659 9.255 -1.894 1.00 10.00 H new ATOM 0 HB3 LEU A 59 4.342 10.792 -1.115 1.00 10.00 H new ATOM 0 HG LEU A 59 4.983 9.442 1.079 1.00 10.00 H new ATOM 0 HD11 LEU A 59 6.770 7.813 0.624 1.00 10.00 H new ATOM 0 HD12 LEU A 59 5.206 7.280 -0.040 1.00 10.00 H new ATOM 0 HD13 LEU A 59 6.449 7.954 -1.121 1.00 10.00 H new ATOM 0 HD21 LEU A 59 7.300 10.215 0.789 1.00 10.00 H new ATOM 0 HD22 LEU A 59 7.001 10.449 -0.950 1.00 10.00 H new ATOM 0 HD23 LEU A 59 6.124 11.435 0.245 1.00 10.00 H new ATOM 924 N GLN A 60 1.840 11.249 0.158 1.00 10.00 N ATOM 925 CA GLN A 60 1.239 12.172 1.110 1.00 10.00 C ATOM 926 C GLN A 60 0.022 11.521 1.762 1.00 10.00 C ATOM 927 O GLN A 60 -0.236 11.700 2.953 1.00 10.00 O ATOM 928 CB GLN A 60 0.830 13.473 0.405 1.00 10.00 C ATOM 929 CG GLN A 60 0.334 14.557 1.351 1.00 10.00 C ATOM 930 CD GLN A 60 1.429 15.096 2.253 1.00 10.00 C ATOM 931 OE1 GLN A 60 1.182 15.425 3.411 1.00 10.00 O ATOM 932 NE2 GLN A 60 2.636 15.218 1.723 1.00 10.00 N ATOM 0 H GLN A 60 1.794 11.562 -0.812 1.00 10.00 H new ATOM 0 HA GLN A 60 1.971 12.412 1.881 1.00 10.00 H new ATOM 0 HB2 GLN A 60 1.684 13.855 -0.155 1.00 10.00 H new ATOM 0 HB3 GLN A 60 0.047 13.251 -0.320 1.00 10.00 H new ATOM 0 HG2 GLN A 60 -0.087 15.377 0.768 1.00 10.00 H new ATOM 0 HG3 GLN A 60 -0.472 14.156 1.965 1.00 10.00 H new ATOM 0 HE21 GLN A 60 2.800 14.933 0.757 1.00 10.00 H new ATOM 0 HE22 GLN A 60 3.402 15.597 2.280 1.00 10.00 H new ATOM 941 N MET A 61 -0.707 10.742 0.969 1.00 10.00 N ATOM 942 CA MET A 61 -1.900 10.048 1.444 1.00 10.00 C ATOM 943 C MET A 61 -1.512 8.919 2.395 1.00 10.00 C ATOM 944 O MET A 61 -2.267 8.563 3.298 1.00 10.00 O ATOM 945 CB MET A 61 -2.695 9.485 0.262 1.00 10.00 C ATOM 946 CG MET A 61 -3.093 10.537 -0.761 1.00 10.00 C ATOM 947 SD MET A 61 -3.868 9.831 -2.228 1.00 10.00 S ATOM 948 CE MET A 61 -5.438 9.297 -1.552 1.00 10.00 C ATOM 0 H MET A 61 -0.490 10.574 -0.014 1.00 10.00 H new ATOM 0 HA MET A 61 -2.525 10.762 1.980 1.00 10.00 H new ATOM 0 HB2 MET A 61 -2.100 8.717 -0.232 1.00 10.00 H new ATOM 0 HB3 MET A 61 -3.595 8.998 0.639 1.00 10.00 H new ATOM 0 HG2 MET A 61 -3.780 11.245 -0.298 1.00 10.00 H new ATOM 0 HG3 MET A 61 -2.208 11.100 -1.059 1.00 10.00 H new ATOM 0 HE1 MET A 61 -6.036 8.837 -2.339 1.00 10.00 H new ATOM 0 HE2 MET A 61 -5.264 8.571 -0.758 1.00 10.00 H new ATOM 0 HE3 MET A 61 -5.971 10.157 -1.147 1.00 10.00 H new ATOM 958 N LEU A 62 -0.325 8.362 2.185 1.00 10.00 N ATOM 959 CA LEU A 62 0.178 7.280 3.021 1.00 10.00 C ATOM 960 C LEU A 62 0.502 7.798 4.417 1.00 10.00 C ATOM 961 O LEU A 62 0.293 7.106 5.410 1.00 10.00 O ATOM 962 CB LEU A 62 1.422 6.646 2.392 1.00 10.00 C ATOM 963 CG LEU A 62 1.201 6.010 1.020 1.00 10.00 C ATOM 964 CD1 LEU A 62 2.477 5.350 0.527 1.00 10.00 C ATOM 965 CD2 LEU A 62 0.071 4.997 1.078 1.00 10.00 C ATOM 0 H LEU A 62 0.310 8.644 1.438 1.00 10.00 H new ATOM 0 HA LEU A 62 -0.597 6.518 3.099 1.00 10.00 H new ATOM 0 HB2 LEU A 62 2.194 7.410 2.301 1.00 10.00 H new ATOM 0 HB3 LEU A 62 1.806 5.884 3.071 1.00 10.00 H new ATOM 0 HG LEU A 62 0.925 6.797 0.318 1.00 10.00 H new ATOM 0 HD11 LEU A 62 2.301 4.903 -0.451 1.00 10.00 H new ATOM 0 HD12 LEU A 62 3.266 6.098 0.447 1.00 10.00 H new ATOM 0 HD13 LEU A 62 2.781 4.575 1.231 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -0.072 4.555 0.092 1.00 10.00 H new ATOM 0 HD22 LEU A 62 0.320 4.214 1.794 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -0.848 5.494 1.389 1.00 10.00 H new ATOM 977 N GLU A 63 0.978 9.037 4.480 1.00 10.00 N ATOM 978 CA GLU A 63 1.325 9.668 5.750 1.00 10.00 C ATOM 979 C GLU A 63 0.066 9.980 6.560 1.00 10.00 C ATOM 980 O GLU A 63 0.131 10.247 7.759 1.00 10.00 O ATOM 981 CB GLU A 63 2.120 10.952 5.502 1.00 10.00 C ATOM 982 CG GLU A 63 3.516 10.707 4.951 1.00 10.00 C ATOM 983 CD GLU A 63 4.408 9.967 5.931 1.00 10.00 C ATOM 984 OE1 GLU A 63 4.885 10.591 6.900 1.00 10.00 O ATOM 985 OE2 GLU A 63 4.649 8.758 5.734 1.00 10.00 O ATOM 0 H GLU A 63 1.133 9.627 3.663 1.00 10.00 H new ATOM 0 HA GLU A 63 1.941 8.973 6.321 1.00 10.00 H new ATOM 0 HB2 GLU A 63 1.568 11.582 4.804 1.00 10.00 H new ATOM 0 HB3 GLU A 63 2.200 11.506 6.437 1.00 10.00 H new ATOM 0 HG2 GLU A 63 3.443 10.133 4.027 1.00 10.00 H new ATOM 0 HG3 GLU A 63 3.975 11.662 4.697 1.00 10.00 H new ATOM 992 N LYS A 64 -1.082 9.933 5.896 1.00 10.00 N ATOM 993 CA LYS A 64 -2.357 10.205 6.546 1.00 10.00 C ATOM 994 C LYS A 64 -2.973 8.915 7.076 1.00 10.00 C ATOM 995 O LYS A 64 -3.924 8.944 7.859 1.00 10.00 O ATOM 996 CB LYS A 64 -3.318 10.889 5.569 1.00 10.00 C ATOM 997 CG LYS A 64 -2.776 12.185 4.996 1.00 10.00 C ATOM 998 CD LYS A 64 -3.788 12.866 4.089 1.00 10.00 C ATOM 999 CE LYS A 64 -3.220 14.144 3.485 1.00 10.00 C ATOM 1000 NZ LYS A 64 -4.267 14.986 2.850 1.00 10.00 N ATOM 0 H LYS A 64 -1.156 9.708 4.904 1.00 10.00 H new ATOM 0 HA LYS A 64 -2.179 10.875 7.387 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -3.540 10.204 4.751 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -4.259 11.092 6.080 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -2.506 12.858 5.810 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -1.864 11.981 4.435 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -4.081 12.184 3.291 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -4.689 13.099 4.657 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -2.719 14.719 4.264 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -2.465 13.887 2.742 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -3.831 15.843 2.454 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -4.729 14.450 2.088 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -4.975 15.256 3.562 1.00 10.00 H new ATOM 1014 N GLN A 65 -2.418 7.786 6.652 1.00 10.00 N ATOM 1015 CA GLN A 65 -2.912 6.481 7.076 1.00 10.00 C ATOM 1016 C GLN A 65 -1.808 5.701 7.784 1.00 10.00 C ATOM 1017 O GLN A 65 -1.957 4.514 8.082 1.00 10.00 O ATOM 1018 CB GLN A 65 -3.430 5.691 5.869 1.00 10.00 C ATOM 1019 CG GLN A 65 -4.676 6.293 5.235 1.00 10.00 C ATOM 1020 CD GLN A 65 -5.900 6.184 6.123 1.00 10.00 C ATOM 1021 OE1 GLN A 65 -6.752 7.076 6.140 1.00 10.00 O ATOM 1022 NE2 GLN A 65 -6.012 5.082 6.845 1.00 10.00 N ATOM 0 H GLN A 65 -1.624 7.748 6.013 1.00 10.00 H new ATOM 0 HA GLN A 65 -3.735 6.631 7.774 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -2.642 5.633 5.118 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -3.649 4.670 6.181 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -4.491 7.343 5.007 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -4.874 5.791 4.288 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -5.285 4.368 6.802 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -6.826 4.946 7.445 1.00 10.00 H new ATOM 1031 N LYS A 66 -0.703 6.380 8.047 1.00 10.00 N ATOM 1032 CA LYS A 66 0.432 5.768 8.717 1.00 10.00 C ATOM 1033 C LYS A 66 0.166 5.656 10.212 1.00 10.00 C ATOM 1034 O LYS A 66 -0.077 6.658 10.886 1.00 10.00 O ATOM 1035 CB LYS A 66 1.701 6.582 8.459 1.00 10.00 C ATOM 1036 CG LYS A 66 2.982 5.849 8.825 1.00 10.00 C ATOM 1037 CD LYS A 66 4.214 6.559 8.283 1.00 10.00 C ATOM 1038 CE LYS A 66 4.536 7.818 9.074 1.00 10.00 C ATOM 1039 NZ LYS A 66 5.686 8.556 8.494 1.00 10.00 N ATOM 0 H LYS A 66 -0.568 7.362 7.805 1.00 10.00 H new ATOM 0 HA LYS A 66 0.576 4.765 8.316 1.00 10.00 H new ATOM 0 HB2 LYS A 66 1.738 6.856 7.405 1.00 10.00 H new ATOM 0 HB3 LYS A 66 1.649 7.510 9.028 1.00 10.00 H new ATOM 0 HG2 LYS A 66 3.057 5.768 9.909 1.00 10.00 H new ATOM 0 HG3 LYS A 66 2.945 4.833 8.431 1.00 10.00 H new ATOM 0 HD2 LYS A 66 5.067 5.882 8.315 1.00 10.00 H new ATOM 0 HD3 LYS A 66 4.053 6.819 7.237 1.00 10.00 H new ATOM 0 HE2 LYS A 66 3.661 8.468 9.095 1.00 10.00 H new ATOM 0 HE3 LYS A 66 4.759 7.551 10.107 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 6.447 8.624 9.200 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 6.036 8.050 7.655 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 5.382 9.512 8.220 1.00 10.00 H new ATOM 1053 N LYS A 67 0.217 4.439 10.721 1.00 10.00 N ATOM 1054 CA LYS A 67 -0.029 4.185 12.135 1.00 10.00 C ATOM 1055 C LYS A 67 1.162 3.468 12.758 1.00 10.00 C ATOM 1056 O LYS A 67 2.256 3.455 12.181 1.00 10.00 O ATOM 1057 CB LYS A 67 -1.304 3.353 12.313 1.00 10.00 C ATOM 1058 CG LYS A 67 -2.568 4.075 11.867 1.00 10.00 C ATOM 1059 CD LYS A 67 -3.769 3.144 11.831 1.00 10.00 C ATOM 1060 CE LYS A 67 -5.030 3.889 11.418 1.00 10.00 C ATOM 1061 NZ LYS A 67 -6.163 2.969 11.138 1.00 10.00 N ATOM 0 H LYS A 67 0.428 3.604 10.175 1.00 10.00 H new ATOM 0 HA LYS A 67 -0.164 5.141 12.642 1.00 10.00 H new ATOM 0 HB2 LYS A 67 -1.206 2.427 11.747 1.00 10.00 H new ATOM 0 HB3 LYS A 67 -1.404 3.076 13.363 1.00 10.00 H new ATOM 0 HG2 LYS A 67 -2.771 4.904 12.545 1.00 10.00 H new ATOM 0 HG3 LYS A 67 -2.411 4.504 10.877 1.00 10.00 H new ATOM 0 HD2 LYS A 67 -3.580 2.329 11.133 1.00 10.00 H new ATOM 0 HD3 LYS A 67 -3.914 2.695 12.814 1.00 10.00 H new ATOM 0 HE2 LYS A 67 -5.315 4.582 12.209 1.00 10.00 H new ATOM 0 HE3 LYS A 67 -4.822 4.486 10.530 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 -7.021 3.524 10.943 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 -5.936 2.381 10.311 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 -6.326 2.358 11.963 1.00 10.00 H new TER 1075 LYS A 67 ATOM 1076 N GLY B 3 -7.978 -18.380 -0.233 1.00 10.00 N ATOM 1077 CA GLY B 3 -8.136 -17.538 -1.403 1.00 10.00 C ATOM 1078 C GLY B 3 -7.180 -16.362 -1.395 1.00 10.00 C ATOM 1079 O GLY B 3 -6.010 -16.506 -1.756 1.00 10.00 O ATOM 0 HA2 GLY B 3 -7.970 -18.133 -2.301 1.00 10.00 H new ATOM 0 HA3 GLY B 3 -9.161 -17.170 -1.448 1.00 10.00 H new ATOM 1083 N GLU B 4 -7.676 -15.204 -0.969 1.00 10.00 N ATOM 1084 CA GLU B 4 -6.865 -13.993 -0.922 1.00 10.00 C ATOM 1085 C GLU B 4 -5.721 -14.125 0.077 1.00 10.00 C ATOM 1086 O GLU B 4 -5.884 -14.696 1.159 1.00 10.00 O ATOM 1087 CB GLU B 4 -7.721 -12.772 -0.586 1.00 10.00 C ATOM 1088 CG GLU B 4 -8.614 -12.331 -1.734 1.00 10.00 C ATOM 1089 CD GLU B 4 -7.870 -12.252 -3.052 1.00 10.00 C ATOM 1090 OE1 GLU B 4 -8.296 -12.921 -4.018 1.00 10.00 O ATOM 1091 OE2 GLU B 4 -6.851 -11.533 -3.128 1.00 10.00 O ATOM 0 H GLU B 4 -8.637 -15.079 -0.651 1.00 10.00 H new ATOM 0 HA GLU B 4 -6.435 -13.854 -1.914 1.00 10.00 H new ATOM 0 HB2 GLU B 4 -8.341 -12.999 0.281 1.00 10.00 H new ATOM 0 HB3 GLU B 4 -7.069 -11.946 -0.304 1.00 10.00 H new ATOM 0 HG2 GLU B 4 -9.446 -13.029 -1.831 1.00 10.00 H new ATOM 0 HG3 GLU B 4 -9.042 -11.355 -1.503 1.00 10.00 H new ATOM 1098 N GLY B 5 -4.572 -13.585 -0.299 1.00 10.00 N ATOM 1099 CA GLY B 5 -3.394 -13.638 0.540 1.00 10.00 C ATOM 1100 C GLY B 5 -2.132 -13.623 -0.293 1.00 10.00 C ATOM 1101 O GLY B 5 -1.501 -14.662 -0.499 1.00 10.00 O ATOM 0 H GLY B 5 -4.434 -13.103 -1.187 1.00 10.00 H new ATOM 0 HA2 GLY B 5 -3.392 -12.789 1.224 1.00 10.00 H new ATOM 0 HA3 GLY B 5 -3.419 -14.540 1.151 1.00 10.00 H new ATOM 1105 N GLU B 6 -1.784 -12.445 -0.796 1.00 10.00 N ATOM 1106 CA GLU B 6 -0.595 -12.282 -1.624 1.00 10.00 C ATOM 1107 C GLU B 6 0.683 -12.444 -0.800 1.00 10.00 C ATOM 1108 O GLU B 6 0.675 -12.267 0.420 1.00 10.00 O ATOM 1109 CB GLU B 6 -0.605 -10.916 -2.311 1.00 10.00 C ATOM 1110 CG GLU B 6 -0.859 -9.753 -1.365 1.00 10.00 C ATOM 1111 CD GLU B 6 -2.082 -8.951 -1.753 1.00 10.00 C ATOM 1112 OE1 GLU B 6 -2.079 -8.350 -2.846 1.00 10.00 O ATOM 1113 OE2 GLU B 6 -3.055 -8.917 -0.971 1.00 10.00 O ATOM 0 H GLU B 6 -2.311 -11.585 -0.644 1.00 10.00 H new ATOM 0 HA GLU B 6 -0.611 -13.063 -2.384 1.00 10.00 H new ATOM 0 HB2 GLU B 6 0.352 -10.764 -2.809 1.00 10.00 H new ATOM 0 HB3 GLU B 6 -1.372 -10.915 -3.086 1.00 10.00 H new ATOM 0 HG2 GLU B 6 -0.984 -10.133 -0.351 1.00 10.00 H new ATOM 0 HG3 GLU B 6 0.013 -9.099 -1.355 1.00 10.00 H new ATOM 1120 N GLU B 7 1.778 -12.773 -1.473 1.00 10.00 N ATOM 1121 CA GLU B 7 3.055 -12.976 -0.808 1.00 10.00 C ATOM 1122 C GLU B 7 4.120 -12.034 -1.365 1.00 10.00 C ATOM 1123 O GLU B 7 4.160 -11.762 -2.570 1.00 10.00 O ATOM 1124 CB GLU B 7 3.506 -14.429 -0.976 1.00 10.00 C ATOM 1125 CG GLU B 7 2.519 -15.443 -0.418 1.00 10.00 C ATOM 1126 CD GLU B 7 2.914 -16.872 -0.727 1.00 10.00 C ATOM 1127 OE1 GLU B 7 4.104 -17.211 -0.554 1.00 10.00 O ATOM 1128 OE2 GLU B 7 2.037 -17.660 -1.139 1.00 10.00 O ATOM 0 H GLU B 7 1.805 -12.905 -2.484 1.00 10.00 H new ATOM 0 HA GLU B 7 2.926 -12.757 0.252 1.00 10.00 H new ATOM 0 HB2 GLU B 7 3.662 -14.632 -2.036 1.00 10.00 H new ATOM 0 HB3 GLU B 7 4.468 -14.561 -0.481 1.00 10.00 H new ATOM 0 HG2 GLU B 7 2.445 -15.316 0.662 1.00 10.00 H new ATOM 0 HG3 GLU B 7 1.529 -15.246 -0.831 1.00 10.00 H new ATOM 1135 N GLU B 8 4.978 -11.538 -0.484 1.00 10.00 N ATOM 1136 CA GLU B 8 6.051 -10.633 -0.870 1.00 10.00 C ATOM 1137 C GLU B 8 7.389 -11.211 -0.439 1.00 10.00 C ATOM 1138 O GLU B 8 7.445 -12.318 0.103 1.00 10.00 O ATOM 1139 CB GLU B 8 5.849 -9.257 -0.235 1.00 10.00 C ATOM 1140 CG GLU B 8 4.461 -8.687 -0.443 1.00 10.00 C ATOM 1141 CD GLU B 8 4.423 -7.185 -0.285 1.00 10.00 C ATOM 1142 OE1 GLU B 8 4.352 -6.711 0.871 1.00 10.00 O ATOM 1143 OE2 GLU B 8 4.478 -6.475 -1.311 1.00 10.00 O ATOM 0 H GLU B 8 4.950 -11.750 0.513 1.00 10.00 H new ATOM 0 HA GLU B 8 6.038 -10.518 -1.954 1.00 10.00 H new ATOM 0 HB2 GLU B 8 6.046 -9.328 0.835 1.00 10.00 H new ATOM 0 HB3 GLU B 8 6.582 -8.565 -0.649 1.00 10.00 H new ATOM 0 HG2 GLU B 8 4.108 -8.953 -1.439 1.00 10.00 H new ATOM 0 HG3 GLU B 8 3.774 -9.142 0.271 1.00 10.00 H new ATOM 1150 N GLY B 9 8.463 -10.477 -0.680 1.00 10.00 N ATOM 1151 CA GLY B 9 9.773 -10.954 -0.303 1.00 10.00 C ATOM 1152 C GLY B 9 10.870 -10.046 -0.796 1.00 10.00 C ATOM 1153 O GLY B 9 11.685 -10.437 -1.632 1.00 10.00 O ATOM 0 H GLY B 9 8.450 -9.561 -1.129 1.00 10.00 H new ATOM 0 HA2 GLY B 9 9.830 -11.035 0.782 1.00 10.00 H new ATOM 0 HA3 GLY B 9 9.923 -11.956 -0.706 1.00 10.00 H new ATOM 1157 N GLU B 10 10.899 -8.836 -0.267 1.00 10.00 N ATOM 1158 CA GLU B 10 11.894 -7.853 -0.659 1.00 10.00 C ATOM 1159 C GLU B 10 13.022 -7.795 0.357 1.00 10.00 C ATOM 1160 O GLU B 10 12.786 -7.753 1.568 1.00 10.00 O ATOM 1161 CB GLU B 10 11.256 -6.471 -0.799 1.00 10.00 C ATOM 1162 CG GLU B 10 10.598 -6.213 -2.147 1.00 10.00 C ATOM 1163 CD GLU B 10 9.620 -7.304 -2.552 1.00 10.00 C ATOM 1164 OE1 GLU B 10 9.823 -7.918 -3.623 1.00 10.00 O ATOM 1165 OE2 GLU B 10 8.649 -7.551 -1.803 1.00 10.00 O ATOM 0 H GLU B 10 10.240 -8.509 0.440 1.00 10.00 H new ATOM 0 HA GLU B 10 12.304 -8.155 -1.623 1.00 10.00 H new ATOM 0 HB2 GLU B 10 10.509 -6.349 -0.015 1.00 10.00 H new ATOM 0 HB3 GLU B 10 12.021 -5.713 -0.631 1.00 10.00 H new ATOM 0 HG2 GLU B 10 10.074 -5.258 -2.112 1.00 10.00 H new ATOM 0 HG3 GLU B 10 11.371 -6.124 -2.911 1.00 10.00 H new ATOM 1172 N GLU B 11 14.245 -7.791 -0.142 1.00 10.00 N ATOM 1173 CA GLU B 11 15.418 -7.730 0.711 1.00 10.00 C ATOM 1174 C GLU B 11 15.837 -6.278 0.911 1.00 10.00 C ATOM 1175 O GLU B 11 15.897 -5.504 -0.047 1.00 10.00 O ATOM 1176 CB GLU B 11 16.570 -8.536 0.098 1.00 10.00 C ATOM 1177 CG GLU B 11 17.860 -8.468 0.901 1.00 10.00 C ATOM 1178 CD GLU B 11 17.720 -9.060 2.291 1.00 10.00 C ATOM 1179 OE1 GLU B 11 16.995 -8.480 3.125 1.00 10.00 O ATOM 1180 OE2 GLU B 11 18.342 -10.108 2.559 1.00 10.00 O ATOM 0 H GLU B 11 14.452 -7.830 -1.140 1.00 10.00 H new ATOM 0 HA GLU B 11 15.172 -8.165 1.679 1.00 10.00 H new ATOM 0 HB2 GLU B 11 16.264 -9.578 0.007 1.00 10.00 H new ATOM 0 HB3 GLU B 11 16.761 -8.170 -0.911 1.00 10.00 H new ATOM 0 HG2 GLU B 11 18.646 -8.998 0.363 1.00 10.00 H new ATOM 0 HG3 GLU B 11 18.176 -7.428 0.984 1.00 10.00 H new ATOM 1187 N TYR B 12 16.126 -5.912 2.149 1.00 10.00 N ATOM 1188 CA TYR B 12 16.531 -4.552 2.463 1.00 10.00 C ATOM 1189 C TYR B 12 18.048 -4.419 2.391 1.00 10.00 C ATOM 1190 O TYR B 12 18.776 -5.387 2.620 1.00 10.00 O ATOM 1191 CB TYR B 12 16.034 -4.150 3.853 1.00 10.00 C ATOM 1192 CG TYR B 12 15.786 -2.666 3.992 1.00 10.00 C ATOM 1193 CD1 TYR B 12 16.834 -1.759 3.911 1.00 10.00 C ATOM 1194 CD2 TYR B 12 14.505 -2.173 4.195 1.00 10.00 C ATOM 1195 CE1 TYR B 12 16.613 -0.403 4.025 1.00 10.00 C ATOM 1196 CE2 TYR B 12 14.276 -0.817 4.313 1.00 10.00 C ATOM 1197 CZ TYR B 12 15.333 0.066 4.227 1.00 10.00 C ATOM 1198 OH TYR B 12 15.113 1.421 4.331 1.00 10.00 O ATOM 0 H TYR B 12 16.088 -6.538 2.953 1.00 10.00 H new ATOM 0 HA TYR B 12 16.084 -3.884 1.727 1.00 10.00 H new ATOM 0 HB2 TYR B 12 15.111 -4.688 4.071 1.00 10.00 H new ATOM 0 HB3 TYR B 12 16.767 -4.460 4.597 1.00 10.00 H new ATOM 0 HD1 TYR B 12 17.839 -2.122 3.756 1.00 10.00 H new ATOM 0 HD2 TYR B 12 13.675 -2.861 4.262 1.00 10.00 H new ATOM 0 HE1 TYR B 12 17.439 0.289 3.956 1.00 10.00 H new ATOM 0 HE2 TYR B 12 13.273 -0.448 4.472 1.00 10.00 H new ATOM 0 HH TYR B 12 15.252 1.843 3.458 1.00 10.00 H new TER 1208 TYR B 12