USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 503 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 CYS SG : rot -40:sc= 1.42 USER MOD Single : A 14 THR OG1 : rot -48:sc= 0.419 USER MOD Single : A 17 MET CE :methyl -124:sc= -2.34 (180deg=-7.09!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 27 SER OG : rot 180:sc=-0.00216 USER MOD Single : A 28 GLN : amide:sc= 0.0974 X(o=0.097,f=0) USER MOD Single : A 29 TYR OH : rot 30:sc= -0.0511 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -29:sc= 0.0264 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.19) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 58:sc= 1.1 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -5.520 6.756 0.416 1.00 0.00 N ATOM 60 CA GLY A 7 -4.439 5.935 0.929 1.00 0.00 C ATOM 61 C GLY A 7 -4.931 4.836 1.849 1.00 0.00 C ATOM 62 O GLY A 7 -5.803 5.064 2.689 1.00 0.00 O ATOM 0 HA2 GLY A 7 -3.897 5.490 0.094 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.732 6.566 1.468 1.00 0.00 H new ATOM 66 N VAL A 8 -4.374 3.639 1.692 1.00 0.00 N ATOM 67 CA VAL A 8 -4.763 2.501 2.515 1.00 0.00 C ATOM 68 C VAL A 8 -3.542 1.707 2.966 1.00 0.00 C ATOM 69 O VAL A 8 -2.583 1.540 2.212 1.00 0.00 O ATOM 70 CB VAL A 8 -5.721 1.563 1.759 1.00 0.00 C ATOM 71 CG1 VAL A 8 -7.099 2.194 1.632 1.00 0.00 C ATOM 72 CG2 VAL A 8 -5.156 1.215 0.390 1.00 0.00 C ATOM 0 H VAL A 8 -3.652 3.433 1.002 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.275 2.903 3.389 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.823 0.640 2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.762 1.516 1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.504 2.386 2.625 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.020 3.133 1.085 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.846 0.551 -0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.022 2.127 -0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.194 0.717 0.509 1.00 0.00 H new ATOM 82 N PHE A 9 -3.584 1.218 4.202 1.00 0.00 N ATOM 83 CA PHE A 9 -2.480 0.442 4.755 1.00 0.00 C ATOM 84 C PHE A 9 -2.707 -1.052 4.541 1.00 0.00 C ATOM 85 O PHE A 9 -3.595 -1.650 5.148 1.00 0.00 O ATOM 86 CB PHE A 9 -2.318 0.736 6.247 1.00 0.00 C ATOM 87 CG PHE A 9 -1.298 1.799 6.542 1.00 0.00 C ATOM 88 CD1 PHE A 9 -1.632 3.141 6.456 1.00 0.00 C ATOM 89 CD2 PHE A 9 -0.006 1.455 6.903 1.00 0.00 C ATOM 90 CE1 PHE A 9 -0.695 4.120 6.726 1.00 0.00 C ATOM 91 CE2 PHE A 9 0.936 2.430 7.175 1.00 0.00 C ATOM 92 CZ PHE A 9 0.590 3.765 7.087 1.00 0.00 C ATOM 0 H PHE A 9 -4.370 1.346 4.839 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.567 0.732 4.234 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.281 1.044 6.655 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.033 -0.182 6.761 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.635 3.425 6.175 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.269 0.413 6.973 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.967 5.163 6.655 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.940 2.149 7.456 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.323 4.529 7.300 1.00 0.00 H new ATOM 102 N VAL A 10 -1.896 -1.649 3.672 1.00 0.00 N ATOM 103 CA VAL A 10 -2.006 -3.073 3.377 1.00 0.00 C ATOM 104 C VAL A 10 -1.181 -3.902 4.356 1.00 0.00 C ATOM 105 O VAL A 10 -0.063 -4.312 4.048 1.00 0.00 O ATOM 106 CB VAL A 10 -1.548 -3.386 1.941 1.00 0.00 C ATOM 107 CG1 VAL A 10 -1.551 -4.887 1.694 1.00 0.00 C ATOM 108 CG2 VAL A 10 -2.432 -2.669 0.931 1.00 0.00 C ATOM 0 H VAL A 10 -1.156 -1.168 3.160 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.059 -3.337 3.479 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.527 -3.024 1.817 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.224 -5.089 0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.872 -5.372 2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.559 -5.277 1.836 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.094 -2.902 -0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.464 -2.998 1.053 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.372 -1.593 1.095 1.00 0.00 H new ATOM 118 N GLY A 11 -1.741 -4.145 5.537 1.00 0.00 N ATOM 119 CA GLY A 11 -1.043 -4.925 6.542 1.00 0.00 C ATOM 120 C GLY A 11 -0.898 -6.381 6.149 1.00 0.00 C ATOM 121 O GLY A 11 -1.378 -6.797 5.095 1.00 0.00 O ATOM 0 H GLY A 11 -2.665 -3.816 5.816 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.055 -4.497 6.708 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.582 -4.859 7.487 1.00 0.00 H new ATOM 125 N ARG A 12 -0.233 -7.158 6.997 1.00 0.00 N ATOM 126 CA ARG A 12 -0.023 -8.576 6.731 1.00 0.00 C ATOM 127 C ARG A 12 0.642 -8.782 5.374 1.00 0.00 C ATOM 128 O ARG A 12 0.135 -9.520 4.528 1.00 0.00 O ATOM 129 CB ARG A 12 -1.355 -9.327 6.777 1.00 0.00 C ATOM 130 CG ARG A 12 -1.805 -9.684 8.184 1.00 0.00 C ATOM 131 CD ARG A 12 -1.487 -11.132 8.521 1.00 0.00 C ATOM 132 NE ARG A 12 -0.217 -11.263 9.230 1.00 0.00 N ATOM 133 CZ ARG A 12 0.080 -12.286 10.024 1.00 0.00 C ATOM 134 NH1 ARG A 12 -0.798 -13.262 10.209 1.00 0.00 N ATOM 135 NH2 ARG A 12 1.256 -12.334 10.635 1.00 0.00 N ATOM 0 H ARG A 12 0.170 -6.829 7.875 1.00 0.00 H new ATOM 0 HA ARG A 12 0.637 -8.971 7.503 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.123 -8.716 6.303 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.267 -10.241 6.190 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.315 -9.026 8.902 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.878 -9.515 8.278 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.288 -11.546 9.133 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.452 -11.718 7.603 1.00 0.00 H new ATOM 0 HE ARG A 12 0.480 -10.529 9.109 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.704 -13.229 9.741 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.568 -14.046 10.819 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.934 -11.585 10.496 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.482 -13.120 11.244 1.00 0.00 H new ATOM 149 N CYS A 13 1.780 -8.126 5.174 1.00 0.00 N ATOM 150 CA CYS A 13 2.516 -8.236 3.919 1.00 0.00 C ATOM 151 C CYS A 13 3.842 -8.958 4.127 1.00 0.00 C ATOM 152 O CYS A 13 4.083 -9.547 5.182 1.00 0.00 O ATOM 153 CB CYS A 13 2.763 -6.848 3.326 1.00 0.00 C ATOM 154 SG CYS A 13 1.995 -6.588 1.710 1.00 0.00 S ATOM 0 H CYS A 13 2.213 -7.513 5.864 1.00 0.00 H new ATOM 0 HA CYS A 13 1.913 -8.818 3.222 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.387 -6.096 4.020 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.838 -6.689 3.235 1.00 0.00 H new ATOM 0 HG CYS A 13 2.114 -7.667 0.994 1.00 0.00 H new ATOM 160 N THR A 14 4.702 -8.911 3.114 1.00 0.00 N ATOM 161 CA THR A 14 6.004 -9.561 3.185 1.00 0.00 C ATOM 162 C THR A 14 7.044 -8.801 2.370 1.00 0.00 C ATOM 163 O THR A 14 6.773 -8.362 1.254 1.00 0.00 O ATOM 164 CB THR A 14 5.933 -11.014 2.678 1.00 0.00 C ATOM 165 OG1 THR A 14 5.627 -11.031 1.279 1.00 0.00 O ATOM 166 CG2 THR A 14 4.881 -11.803 3.442 1.00 0.00 C ATOM 0 H THR A 14 4.519 -8.429 2.234 1.00 0.00 H new ATOM 0 HA THR A 14 6.300 -9.563 4.234 1.00 0.00 H new ATOM 0 HB THR A 14 6.904 -11.480 2.842 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.867 -10.438 1.103 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.849 -12.826 3.066 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.133 -11.814 4.502 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.906 -11.336 3.306 1.00 0.00 H new ATOM 174 N GLY A 15 8.237 -8.650 2.937 1.00 0.00 N ATOM 175 CA GLY A 15 9.300 -7.942 2.248 1.00 0.00 C ATOM 176 C GLY A 15 9.420 -8.348 0.792 1.00 0.00 C ATOM 177 O GLY A 15 9.447 -7.497 -0.096 1.00 0.00 O ATOM 0 H GLY A 15 8.486 -9.005 3.860 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.116 -6.869 2.309 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.246 -8.132 2.754 1.00 0.00 H new ATOM 181 N ASP A 16 9.493 -9.652 0.549 1.00 0.00 N ATOM 182 CA ASP A 16 9.611 -10.170 -0.810 1.00 0.00 C ATOM 183 C ASP A 16 8.773 -9.345 -1.780 1.00 0.00 C ATOM 184 O ASP A 16 9.283 -8.837 -2.779 1.00 0.00 O ATOM 185 CB ASP A 16 9.175 -11.636 -0.859 1.00 0.00 C ATOM 186 CG ASP A 16 10.002 -12.453 -1.831 1.00 0.00 C ATOM 187 OD1 ASP A 16 11.244 -12.329 -1.804 1.00 0.00 O ATOM 188 OD2 ASP A 16 9.408 -13.217 -2.621 1.00 0.00 O ATOM 0 H ASP A 16 9.473 -10.369 1.274 1.00 0.00 H new ATOM 0 HA ASP A 16 10.656 -10.099 -1.110 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.257 -12.070 0.138 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.125 -11.690 -1.145 1.00 0.00 H new ATOM 193 N MET A 17 7.485 -9.216 -1.481 1.00 0.00 N ATOM 194 CA MET A 17 6.577 -8.452 -2.329 1.00 0.00 C ATOM 195 C MET A 17 7.216 -7.137 -2.764 1.00 0.00 C ATOM 196 O MET A 17 8.035 -6.565 -2.045 1.00 0.00 O ATOM 197 CB MET A 17 5.267 -8.176 -1.588 1.00 0.00 C ATOM 198 CG MET A 17 4.414 -9.416 -1.379 1.00 0.00 C ATOM 199 SD MET A 17 3.140 -9.179 -0.124 1.00 0.00 S ATOM 200 CE MET A 17 2.101 -10.608 -0.422 1.00 0.00 C ATOM 0 H MET A 17 7.046 -9.630 -0.659 1.00 0.00 H new ATOM 0 HA MET A 17 6.366 -9.044 -3.220 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.494 -7.734 -0.618 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.691 -7.439 -2.148 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.943 -9.691 -2.322 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.055 -10.248 -1.088 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.079 -10.281 -0.612 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.474 -11.155 -1.288 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.118 -11.259 0.452 1.00 0.00 H new ATOM 210 N THR A 18 6.837 -6.663 -3.947 1.00 0.00 N ATOM 211 CA THR A 18 7.374 -5.417 -4.479 1.00 0.00 C ATOM 212 C THR A 18 6.260 -4.519 -5.005 1.00 0.00 C ATOM 213 O THR A 18 5.312 -4.993 -5.630 1.00 0.00 O ATOM 214 CB THR A 18 8.385 -5.679 -5.611 1.00 0.00 C ATOM 215 OG1 THR A 18 7.844 -6.621 -6.543 1.00 0.00 O ATOM 216 CG2 THR A 18 9.698 -6.208 -5.052 1.00 0.00 C ATOM 0 H THR A 18 6.160 -7.124 -4.555 1.00 0.00 H new ATOM 0 HA THR A 18 7.884 -4.915 -3.656 1.00 0.00 H new ATOM 0 HB THR A 18 8.579 -4.735 -6.121 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.492 -6.781 -7.260 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.396 -6.386 -5.870 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.122 -5.476 -4.365 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.517 -7.142 -4.520 1.00 0.00 H new ATOM 224 N GLU A 19 6.384 -3.220 -4.749 1.00 0.00 N ATOM 225 CA GLU A 19 5.386 -2.256 -5.198 1.00 0.00 C ATOM 226 C GLU A 19 4.835 -2.641 -6.567 1.00 0.00 C ATOM 227 O GLU A 19 3.634 -2.540 -6.816 1.00 0.00 O ATOM 228 CB GLU A 19 5.991 -0.852 -5.255 1.00 0.00 C ATOM 229 CG GLU A 19 6.580 -0.388 -3.935 1.00 0.00 C ATOM 230 CD GLU A 19 8.091 -0.260 -3.983 1.00 0.00 C ATOM 231 OE1 GLU A 19 8.619 0.148 -5.039 1.00 0.00 O ATOM 232 OE2 GLU A 19 8.744 -0.565 -2.963 1.00 0.00 O ATOM 0 H GLU A 19 7.164 -2.812 -4.234 1.00 0.00 H new ATOM 0 HA GLU A 19 4.565 -2.261 -4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.770 -0.832 -6.017 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.221 -0.146 -5.567 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.146 0.575 -3.666 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.304 -1.092 -3.150 1.00 0.00 H new ATOM 239 N ASP A 20 5.722 -3.082 -7.452 1.00 0.00 N ATOM 240 CA ASP A 20 5.325 -3.483 -8.797 1.00 0.00 C ATOM 241 C ASP A 20 4.254 -4.567 -8.748 1.00 0.00 C ATOM 242 O ASP A 20 3.159 -4.396 -9.283 1.00 0.00 O ATOM 243 CB ASP A 20 6.539 -3.984 -9.582 1.00 0.00 C ATOM 244 CG ASP A 20 6.222 -4.231 -11.044 1.00 0.00 C ATOM 245 OD1 ASP A 20 5.328 -5.056 -11.325 1.00 0.00 O ATOM 246 OD2 ASP A 20 6.869 -3.600 -11.906 1.00 0.00 O ATOM 0 H ASP A 20 6.720 -3.171 -7.263 1.00 0.00 H new ATOM 0 HA ASP A 20 4.910 -2.610 -9.301 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.344 -3.253 -9.506 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.904 -4.907 -9.131 1.00 0.00 H new ATOM 251 N GLU A 21 4.578 -5.683 -8.103 1.00 0.00 N ATOM 252 CA GLU A 21 3.642 -6.796 -7.985 1.00 0.00 C ATOM 253 C GLU A 21 2.262 -6.304 -7.559 1.00 0.00 C ATOM 254 O GLU A 21 1.286 -6.441 -8.298 1.00 0.00 O ATOM 255 CB GLU A 21 4.162 -7.824 -6.978 1.00 0.00 C ATOM 256 CG GLU A 21 5.534 -8.376 -7.324 1.00 0.00 C ATOM 257 CD GLU A 21 5.466 -9.734 -7.995 1.00 0.00 C ATOM 258 OE1 GLU A 21 5.273 -9.778 -9.229 1.00 0.00 O ATOM 259 OE2 GLU A 21 5.604 -10.753 -7.287 1.00 0.00 O ATOM 0 H GLU A 21 5.480 -5.841 -7.654 1.00 0.00 H new ATOM 0 HA GLU A 21 3.554 -7.268 -8.963 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.203 -7.364 -5.991 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.453 -8.649 -6.916 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.048 -7.675 -7.982 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.130 -8.454 -6.415 1.00 0.00 H new ATOM 266 N LEU A 22 2.188 -5.730 -6.364 1.00 0.00 N ATOM 267 CA LEU A 22 0.927 -5.217 -5.838 1.00 0.00 C ATOM 268 C LEU A 22 0.270 -4.264 -6.832 1.00 0.00 C ATOM 269 O LEU A 22 -0.932 -4.348 -7.084 1.00 0.00 O ATOM 270 CB LEU A 22 1.161 -4.502 -4.507 1.00 0.00 C ATOM 271 CG LEU A 22 1.821 -5.332 -3.406 1.00 0.00 C ATOM 272 CD1 LEU A 22 2.646 -4.441 -2.487 1.00 0.00 C ATOM 273 CD2 LEU A 22 0.773 -6.095 -2.611 1.00 0.00 C ATOM 0 H LEU A 22 2.986 -5.608 -5.740 1.00 0.00 H new ATOM 0 HA LEU A 22 0.258 -6.062 -5.677 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.780 -3.624 -4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.201 -4.142 -4.137 1.00 0.00 H new ATOM 0 HG LEU A 22 2.489 -6.055 -3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.108 -5.049 -1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.422 -3.941 -3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.999 -3.694 -2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.262 -6.680 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.079 -5.390 -2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.226 -6.763 -3.277 1.00 0.00 H new ATOM 285 N ARG A 23 1.068 -3.362 -7.394 1.00 0.00 N ATOM 286 CA ARG A 23 0.563 -2.394 -8.361 1.00 0.00 C ATOM 287 C ARG A 23 -0.217 -3.092 -9.471 1.00 0.00 C ATOM 288 O ARG A 23 -1.248 -2.595 -9.923 1.00 0.00 O ATOM 289 CB ARG A 23 1.719 -1.593 -8.962 1.00 0.00 C ATOM 290 CG ARG A 23 1.297 -0.667 -10.091 1.00 0.00 C ATOM 291 CD ARG A 23 2.478 0.116 -10.643 1.00 0.00 C ATOM 292 NE ARG A 23 2.567 0.020 -12.097 1.00 0.00 N ATOM 293 CZ ARG A 23 3.279 0.854 -12.846 1.00 0.00 C ATOM 294 NH1 ARG A 23 3.962 1.840 -12.281 1.00 0.00 N ATOM 295 NH2 ARG A 23 3.311 0.703 -14.164 1.00 0.00 N ATOM 0 H ARG A 23 2.066 -3.281 -7.197 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.110 -1.713 -7.840 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.188 -1.002 -8.175 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.474 -2.285 -9.334 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.841 -1.251 -10.890 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.537 0.026 -9.729 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.386 1.163 -10.354 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.400 -0.257 -10.198 1.00 0.00 H new ATOM 0 HE ARG A 23 2.054 -0.729 -12.563 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.942 1.960 -11.268 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.508 2.479 -12.859 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.788 -0.055 -14.603 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.858 1.345 -14.738 1.00 0.00 H new ATOM 309 N GLU A 24 0.283 -4.244 -9.906 1.00 0.00 N ATOM 310 CA GLU A 24 -0.367 -5.008 -10.964 1.00 0.00 C ATOM 311 C GLU A 24 -1.471 -5.895 -10.395 1.00 0.00 C ATOM 312 O GLU A 24 -2.313 -6.408 -11.133 1.00 0.00 O ATOM 313 CB GLU A 24 0.658 -5.867 -11.708 1.00 0.00 C ATOM 314 CG GLU A 24 0.688 -5.616 -13.207 1.00 0.00 C ATOM 315 CD GLU A 24 1.843 -6.319 -13.892 1.00 0.00 C ATOM 316 OE1 GLU A 24 2.031 -7.529 -13.646 1.00 0.00 O ATOM 317 OE2 GLU A 24 2.558 -5.661 -14.676 1.00 0.00 O ATOM 0 H GLU A 24 1.136 -4.669 -9.542 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.815 -4.302 -11.663 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.649 -5.675 -11.296 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.437 -6.919 -11.528 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.250 -5.953 -13.647 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.759 -4.544 -13.391 1.00 0.00 H new ATOM 324 N PHE A 25 -1.462 -6.070 -9.078 1.00 0.00 N ATOM 325 CA PHE A 25 -2.461 -6.895 -8.409 1.00 0.00 C ATOM 326 C PHE A 25 -3.696 -6.073 -8.055 1.00 0.00 C ATOM 327 O PHE A 25 -4.812 -6.593 -8.017 1.00 0.00 O ATOM 328 CB PHE A 25 -1.871 -7.523 -7.144 1.00 0.00 C ATOM 329 CG PHE A 25 -2.868 -8.312 -6.345 1.00 0.00 C ATOM 330 CD1 PHE A 25 -3.754 -7.674 -5.492 1.00 0.00 C ATOM 331 CD2 PHE A 25 -2.918 -9.693 -6.448 1.00 0.00 C ATOM 332 CE1 PHE A 25 -4.672 -8.399 -4.756 1.00 0.00 C ATOM 333 CE2 PHE A 25 -3.836 -10.423 -5.715 1.00 0.00 C ATOM 334 CZ PHE A 25 -4.713 -9.775 -4.868 1.00 0.00 C ATOM 0 H PHE A 25 -0.774 -5.651 -8.452 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.759 -7.688 -9.094 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.044 -8.175 -7.424 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.457 -6.734 -6.516 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.727 -6.598 -5.401 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.233 -10.205 -7.108 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.357 -7.890 -4.094 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -3.867 -11.499 -5.805 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.430 -10.343 -4.294 1.00 0.00 H new ATOM 344 N PHE A 26 -3.489 -4.787 -7.794 1.00 0.00 N ATOM 345 CA PHE A 26 -4.586 -3.892 -7.441 1.00 0.00 C ATOM 346 C PHE A 26 -5.133 -3.189 -8.679 1.00 0.00 C ATOM 347 O PHE A 26 -6.225 -2.621 -8.652 1.00 0.00 O ATOM 348 CB PHE A 26 -4.116 -2.856 -6.417 1.00 0.00 C ATOM 349 CG PHE A 26 -4.083 -3.378 -5.009 1.00 0.00 C ATOM 350 CD1 PHE A 26 -5.258 -3.687 -4.343 1.00 0.00 C ATOM 351 CD2 PHE A 26 -2.876 -3.557 -4.351 1.00 0.00 C ATOM 352 CE1 PHE A 26 -5.231 -4.168 -3.047 1.00 0.00 C ATOM 353 CE2 PHE A 26 -2.844 -4.038 -3.056 1.00 0.00 C ATOM 354 CZ PHE A 26 -4.021 -4.342 -2.402 1.00 0.00 C ATOM 0 H PHE A 26 -2.572 -4.341 -7.820 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.385 -4.490 -7.002 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.119 -2.511 -6.692 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.776 -1.989 -6.460 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.206 -3.551 -4.842 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.951 -3.318 -4.856 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.154 -4.407 -2.540 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.897 -4.176 -2.555 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.996 -4.715 -1.389 1.00 0.00 H new ATOM 364 N SER A 27 -4.367 -3.231 -9.764 1.00 0.00 N ATOM 365 CA SER A 27 -4.772 -2.594 -11.012 1.00 0.00 C ATOM 366 C SER A 27 -6.082 -3.187 -11.524 1.00 0.00 C ATOM 367 O SER A 27 -6.837 -2.527 -12.235 1.00 0.00 O ATOM 368 CB SER A 27 -3.678 -2.753 -12.069 1.00 0.00 C ATOM 369 OG SER A 27 -3.389 -4.121 -12.302 1.00 0.00 O ATOM 0 H SER A 27 -3.462 -3.700 -9.804 1.00 0.00 H new ATOM 0 HA SER A 27 -4.926 -1.533 -10.817 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.995 -2.282 -12.999 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.775 -2.238 -11.742 1.00 0.00 H new ATOM 0 HG SER A 27 -2.688 -4.196 -12.983 1.00 0.00 H new ATOM 375 N GLN A 28 -6.340 -4.439 -11.157 1.00 0.00 N ATOM 376 CA GLN A 28 -7.557 -5.122 -11.581 1.00 0.00 C ATOM 377 C GLN A 28 -8.766 -4.614 -10.801 1.00 0.00 C ATOM 378 O GLN A 28 -9.896 -4.669 -11.284 1.00 0.00 O ATOM 379 CB GLN A 28 -7.411 -6.632 -11.391 1.00 0.00 C ATOM 380 CG GLN A 28 -7.545 -7.080 -9.944 1.00 0.00 C ATOM 381 CD GLN A 28 -7.483 -8.587 -9.791 1.00 0.00 C ATOM 382 OE1 GLN A 28 -8.412 -9.300 -10.170 1.00 0.00 O ATOM 383 NE2 GLN A 28 -6.384 -9.080 -9.233 1.00 0.00 N ATOM 0 H GLN A 28 -5.724 -5.000 -10.568 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.714 -4.909 -12.638 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.166 -7.140 -11.991 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.438 -6.945 -11.771 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.750 -6.626 -9.352 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.490 -6.716 -9.541 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.638 -8.452 -8.933 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.285 -10.087 -9.104 1.00 0.00 H new ATOM 392 N TYR A 29 -8.519 -4.121 -9.592 1.00 0.00 N ATOM 393 CA TYR A 29 -9.588 -3.606 -8.744 1.00 0.00 C ATOM 394 C TYR A 29 -9.953 -2.178 -9.135 1.00 0.00 C ATOM 395 O TYR A 29 -11.110 -1.878 -9.424 1.00 0.00 O ATOM 396 CB TYR A 29 -9.169 -3.653 -7.274 1.00 0.00 C ATOM 397 CG TYR A 29 -9.106 -5.053 -6.707 1.00 0.00 C ATOM 398 CD1 TYR A 29 -7.972 -5.840 -6.865 1.00 0.00 C ATOM 399 CD2 TYR A 29 -10.183 -5.589 -6.010 1.00 0.00 C ATOM 400 CE1 TYR A 29 -7.912 -7.119 -6.349 1.00 0.00 C ATOM 401 CE2 TYR A 29 -10.132 -6.868 -5.490 1.00 0.00 C ATOM 402 CZ TYR A 29 -8.994 -7.629 -5.662 1.00 0.00 C ATOM 403 OH TYR A 29 -8.938 -8.903 -5.144 1.00 0.00 O ATOM 0 H TYR A 29 -7.589 -4.067 -9.178 1.00 0.00 H new ATOM 0 HA TYR A 29 -10.465 -4.238 -8.885 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.191 -3.183 -7.168 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.872 -3.063 -6.686 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.122 -5.444 -7.401 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.075 -4.995 -5.873 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.023 -7.717 -6.482 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.978 -7.270 -4.952 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.011 -9.122 -4.914 1.00 0.00 H new ATOM 413 N GLY A 30 -8.955 -1.299 -9.142 1.00 0.00 N ATOM 414 CA GLY A 30 -9.189 0.088 -9.499 1.00 0.00 C ATOM 415 C GLY A 30 -7.949 0.762 -10.052 1.00 0.00 C ATOM 416 O GLY A 30 -6.900 0.132 -10.188 1.00 0.00 O ATOM 0 H GLY A 30 -7.988 -1.523 -8.907 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.987 0.140 -10.239 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.534 0.633 -8.620 1.00 0.00 H new ATOM 420 N ASP A 31 -8.068 2.045 -10.374 1.00 0.00 N ATOM 421 CA ASP A 31 -6.948 2.804 -10.917 1.00 0.00 C ATOM 422 C ASP A 31 -5.932 3.128 -9.826 1.00 0.00 C ATOM 423 O ASP A 31 -5.887 4.248 -9.317 1.00 0.00 O ATOM 424 CB ASP A 31 -7.448 4.098 -11.565 1.00 0.00 C ATOM 425 CG ASP A 31 -6.532 4.582 -12.672 1.00 0.00 C ATOM 426 OD1 ASP A 31 -6.545 3.973 -13.763 1.00 0.00 O ATOM 427 OD2 ASP A 31 -5.802 5.569 -12.447 1.00 0.00 O ATOM 0 H ASP A 31 -8.929 2.581 -10.268 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.459 2.192 -11.675 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.447 3.936 -11.969 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.534 4.873 -10.803 1.00 0.00 H new ATOM 432 N VAL A 32 -5.117 2.140 -9.472 1.00 0.00 N ATOM 433 CA VAL A 32 -4.101 2.318 -8.442 1.00 0.00 C ATOM 434 C VAL A 32 -3.035 3.312 -8.889 1.00 0.00 C ATOM 435 O VAL A 32 -2.084 2.948 -9.582 1.00 0.00 O ATOM 436 CB VAL A 32 -3.424 0.982 -8.083 1.00 0.00 C ATOM 437 CG1 VAL A 32 -2.805 0.348 -9.321 1.00 0.00 C ATOM 438 CG2 VAL A 32 -2.376 1.190 -7.000 1.00 0.00 C ATOM 0 H VAL A 32 -5.141 1.207 -9.884 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.609 2.706 -7.560 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.183 0.302 -7.696 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.331 -0.595 -9.049 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.582 0.163 -10.062 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.058 1.022 -9.740 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.908 0.236 -6.759 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.617 1.887 -7.357 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.851 1.597 -6.107 1.00 0.00 H new ATOM 448 N MET A 33 -3.199 4.568 -8.486 1.00 0.00 N ATOM 449 CA MET A 33 -2.248 5.615 -8.844 1.00 0.00 C ATOM 450 C MET A 33 -0.813 5.113 -8.718 1.00 0.00 C ATOM 451 O MET A 33 -0.072 5.070 -9.701 1.00 0.00 O ATOM 452 CB MET A 33 -2.451 6.843 -7.955 1.00 0.00 C ATOM 453 CG MET A 33 -3.418 7.861 -8.536 1.00 0.00 C ATOM 454 SD MET A 33 -2.594 9.096 -9.559 1.00 0.00 S ATOM 455 CE MET A 33 -3.734 10.471 -9.416 1.00 0.00 C ATOM 0 H MET A 33 -3.980 4.885 -7.912 1.00 0.00 H new ATOM 0 HA MET A 33 -2.426 5.894 -9.883 1.00 0.00 H new ATOM 0 HB2 MET A 33 -2.819 6.520 -6.981 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.487 7.324 -7.788 1.00 0.00 H new ATOM 0 HG2 MET A 33 -4.169 7.343 -9.132 1.00 0.00 H new ATOM 0 HG3 MET A 33 -3.945 8.361 -7.723 1.00 0.00 H new ATOM 0 HE1 MET A 33 -3.361 11.315 -9.997 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.712 10.174 -9.795 1.00 0.00 H new ATOM 0 HE3 MET A 33 -3.824 10.762 -8.369 1.00 0.00 H new ATOM 465 N ASP A 34 -0.428 4.734 -7.505 1.00 0.00 N ATOM 466 CA ASP A 34 0.918 4.234 -7.251 1.00 0.00 C ATOM 467 C ASP A 34 0.983 3.503 -5.914 1.00 0.00 C ATOM 468 O ASP A 34 0.072 3.606 -5.093 1.00 0.00 O ATOM 469 CB ASP A 34 1.923 5.387 -7.265 1.00 0.00 C ATOM 470 CG ASP A 34 3.069 5.143 -8.228 1.00 0.00 C ATOM 471 OD1 ASP A 34 3.681 4.057 -8.159 1.00 0.00 O ATOM 472 OD2 ASP A 34 3.355 6.040 -9.049 1.00 0.00 O ATOM 0 H ASP A 34 -1.029 4.763 -6.681 1.00 0.00 H new ATOM 0 HA ASP A 34 1.173 3.529 -8.042 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.411 6.309 -7.540 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.321 5.531 -6.260 1.00 0.00 H new ATOM 477 N VAL A 35 2.066 2.761 -5.703 1.00 0.00 N ATOM 478 CA VAL A 35 2.249 2.011 -4.466 1.00 0.00 C ATOM 479 C VAL A 35 3.648 2.225 -3.897 1.00 0.00 C ATOM 480 O VAL A 35 4.641 2.168 -4.622 1.00 0.00 O ATOM 481 CB VAL A 35 2.022 0.503 -4.686 1.00 0.00 C ATOM 482 CG1 VAL A 35 2.293 -0.270 -3.403 1.00 0.00 C ATOM 483 CG2 VAL A 35 0.608 0.246 -5.184 1.00 0.00 C ATOM 0 H VAL A 35 2.829 2.663 -6.372 1.00 0.00 H new ATOM 0 HA VAL A 35 1.510 2.383 -3.757 1.00 0.00 H new ATOM 0 HB VAL A 35 2.720 0.154 -5.447 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.128 -1.333 -3.577 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.325 -0.109 -3.093 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.620 0.078 -2.619 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.464 -0.824 -5.334 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.109 0.609 -4.447 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.454 0.769 -6.128 1.00 0.00 H new ATOM 493 N PHE A 36 3.717 2.472 -2.593 1.00 0.00 N ATOM 494 CA PHE A 36 4.994 2.695 -1.925 1.00 0.00 C ATOM 495 C PHE A 36 4.977 2.115 -0.513 1.00 0.00 C ATOM 496 O PHE A 36 3.913 1.892 0.065 1.00 0.00 O ATOM 497 CB PHE A 36 5.310 4.191 -1.870 1.00 0.00 C ATOM 498 CG PHE A 36 6.436 4.533 -0.937 1.00 0.00 C ATOM 499 CD1 PHE A 36 7.742 4.189 -1.251 1.00 0.00 C ATOM 500 CD2 PHE A 36 6.191 5.196 0.254 1.00 0.00 C ATOM 501 CE1 PHE A 36 8.781 4.501 -0.395 1.00 0.00 C ATOM 502 CE2 PHE A 36 7.226 5.512 1.113 1.00 0.00 C ATOM 503 CZ PHE A 36 8.522 5.163 0.790 1.00 0.00 C ATOM 0 H PHE A 36 2.905 2.523 -1.978 1.00 0.00 H new ATOM 0 HA PHE A 36 5.770 2.188 -2.498 1.00 0.00 H new ATOM 0 HB2 PHE A 36 5.561 4.538 -2.872 1.00 0.00 H new ATOM 0 HB3 PHE A 36 4.416 4.732 -1.561 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.950 3.671 -2.176 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.179 5.469 0.514 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.794 4.228 -0.652 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.021 6.032 2.037 1.00 0.00 H new ATOM 0 HZ PHE A 36 9.332 5.407 1.462 1.00 0.00 H new ATOM 513 N ILE A 37 6.164 1.874 0.035 1.00 0.00 N ATOM 514 CA ILE A 37 6.287 1.321 1.378 1.00 0.00 C ATOM 515 C ILE A 37 7.176 2.198 2.254 1.00 0.00 C ATOM 516 O ILE A 37 8.402 2.094 2.236 1.00 0.00 O ATOM 517 CB ILE A 37 6.862 -0.107 1.349 1.00 0.00 C ATOM 518 CG1 ILE A 37 6.019 -1.000 0.436 1.00 0.00 C ATOM 519 CG2 ILE A 37 6.921 -0.683 2.755 1.00 0.00 C ATOM 520 CD1 ILE A 37 6.829 -1.728 -0.614 1.00 0.00 C ATOM 0 H ILE A 37 7.054 2.053 -0.431 1.00 0.00 H new ATOM 0 HA ILE A 37 5.282 1.290 1.800 1.00 0.00 H new ATOM 0 HB ILE A 37 7.876 -0.067 0.952 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.489 -1.732 1.046 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.263 -0.390 -0.058 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.330 -1.693 2.718 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.559 -0.056 3.378 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.917 -0.713 3.178 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.166 -2.342 -1.224 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.338 -1.003 -1.248 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.567 -2.365 -0.127 1.00 0.00 H new ATOM 532 N PRO A 38 6.544 3.081 3.042 1.00 0.00 N ATOM 533 CA PRO A 38 7.258 3.991 3.942 1.00 0.00 C ATOM 534 C PRO A 38 7.904 3.259 5.113 1.00 0.00 C ATOM 535 O PRO A 38 7.305 2.359 5.704 1.00 0.00 O ATOM 536 CB PRO A 38 6.159 4.932 4.440 1.00 0.00 C ATOM 537 CG PRO A 38 4.901 4.145 4.315 1.00 0.00 C ATOM 538 CD PRO A 38 5.084 3.259 3.114 1.00 0.00 C ATOM 0 HA PRO A 38 8.079 4.501 3.438 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.335 5.235 5.472 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.117 5.843 3.843 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.720 3.553 5.212 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.041 4.802 4.188 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.568 2.306 3.235 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.690 3.722 2.209 1.00 0.00 H new ATOM 546 N LYS A 39 9.130 3.648 5.446 1.00 0.00 N ATOM 547 CA LYS A 39 9.857 3.031 6.549 1.00 0.00 C ATOM 548 C LYS A 39 9.606 3.781 7.854 1.00 0.00 C ATOM 549 O LYS A 39 9.301 4.973 7.863 1.00 0.00 O ATOM 550 CB LYS A 39 11.357 3.002 6.245 1.00 0.00 C ATOM 551 CG LYS A 39 11.734 2.029 5.142 1.00 0.00 C ATOM 552 CD LYS A 39 11.965 0.629 5.686 1.00 0.00 C ATOM 553 CE LYS A 39 13.159 -0.038 5.022 1.00 0.00 C ATOM 554 NZ LYS A 39 14.219 -0.386 6.007 1.00 0.00 N ATOM 0 H LYS A 39 9.642 4.389 4.967 1.00 0.00 H new ATOM 0 HA LYS A 39 9.496 2.009 6.663 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.681 4.003 5.962 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.898 2.737 7.153 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.943 2.003 4.393 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.636 2.379 4.640 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.127 0.678 6.763 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.073 0.024 5.525 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.831 -0.941 4.508 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.572 0.628 4.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.015 -0.839 5.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.551 0.479 6.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.833 -1.042 6.716 1.00 0.00 H new ATOM 568 N PRO A 40 9.740 3.068 8.981 1.00 0.00 N ATOM 569 CA PRO A 40 10.104 1.648 8.982 1.00 0.00 C ATOM 570 C PRO A 40 8.986 0.763 8.440 1.00 0.00 C ATOM 571 O PRO A 40 7.820 0.927 8.802 1.00 0.00 O ATOM 572 CB PRO A 40 10.354 1.347 10.462 1.00 0.00 C ATOM 573 CG PRO A 40 9.540 2.355 11.197 1.00 0.00 C ATOM 574 CD PRO A 40 9.546 3.593 10.344 1.00 0.00 C ATOM 0 HA PRO A 40 10.962 1.447 8.341 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.050 0.332 10.716 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.412 1.435 10.711 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.523 1.995 11.356 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.964 2.557 12.181 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.611 4.146 10.432 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.347 4.274 10.630 1.00 0.00 H new ATOM 582 N PHE A 41 9.349 -0.174 7.571 1.00 0.00 N ATOM 583 CA PHE A 41 8.376 -1.084 6.978 1.00 0.00 C ATOM 584 C PHE A 41 8.060 -2.236 7.927 1.00 0.00 C ATOM 585 O PHE A 41 8.958 -2.946 8.380 1.00 0.00 O ATOM 586 CB PHE A 41 8.902 -1.632 5.650 1.00 0.00 C ATOM 587 CG PHE A 41 8.250 -2.920 5.232 1.00 0.00 C ATOM 588 CD1 PHE A 41 6.945 -2.933 4.769 1.00 0.00 C ATOM 589 CD2 PHE A 41 8.944 -4.118 5.305 1.00 0.00 C ATOM 590 CE1 PHE A 41 6.343 -4.115 4.384 1.00 0.00 C ATOM 591 CE2 PHE A 41 8.347 -5.304 4.921 1.00 0.00 C ATOM 592 CZ PHE A 41 7.044 -5.303 4.461 1.00 0.00 C ATOM 0 H PHE A 41 10.309 -0.323 7.262 1.00 0.00 H new ATOM 0 HA PHE A 41 7.458 -0.525 6.795 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.746 -0.886 4.871 1.00 0.00 H new ATOM 0 HB3 PHE A 41 9.978 -1.788 5.731 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.391 -2.008 4.708 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.962 -4.125 5.666 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.325 -4.111 4.023 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.898 -6.231 4.980 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.575 -6.229 4.162 1.00 0.00 H new ATOM 602 N ARG A 42 6.776 -2.415 8.225 1.00 0.00 N ATOM 603 CA ARG A 42 6.341 -3.479 9.121 1.00 0.00 C ATOM 604 C ARG A 42 5.204 -4.283 8.499 1.00 0.00 C ATOM 605 O ARG A 42 4.032 -4.054 8.798 1.00 0.00 O ATOM 606 CB ARG A 42 5.892 -2.893 10.461 1.00 0.00 C ATOM 607 CG ARG A 42 5.193 -3.898 11.363 1.00 0.00 C ATOM 608 CD ARG A 42 5.864 -3.987 12.724 1.00 0.00 C ATOM 609 NE ARG A 42 4.921 -4.356 13.776 1.00 0.00 N ATOM 610 CZ ARG A 42 3.945 -3.560 14.200 1.00 0.00 C ATOM 611 NH1 ARG A 42 3.785 -2.359 13.664 1.00 0.00 N ATOM 612 NH2 ARG A 42 3.127 -3.968 15.161 1.00 0.00 N ATOM 0 H ARG A 42 6.020 -1.837 7.859 1.00 0.00 H new ATOM 0 HA ARG A 42 7.186 -4.147 9.288 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.762 -2.493 10.982 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.219 -2.056 10.275 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.149 -3.611 11.489 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.198 -4.879 10.889 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.668 -4.722 12.684 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.320 -3.027 12.967 1.00 0.00 H new ATOM 0 HE ARG A 42 5.017 -5.275 14.209 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.412 -2.043 12.924 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.035 -1.750 13.991 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.247 -4.893 15.575 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.378 -3.357 15.487 1.00 0.00 H new ATOM 626 N ALA A 43 5.559 -5.226 7.631 1.00 0.00 N ATOM 627 CA ALA A 43 4.568 -6.065 6.969 1.00 0.00 C ATOM 628 C ALA A 43 3.372 -5.240 6.504 1.00 0.00 C ATOM 629 O ALA A 43 2.252 -5.744 6.423 1.00 0.00 O ATOM 630 CB ALA A 43 4.113 -7.180 7.899 1.00 0.00 C ATOM 0 H ALA A 43 6.524 -5.427 7.371 1.00 0.00 H new ATOM 0 HA ALA A 43 5.034 -6.509 6.089 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.373 -7.798 7.391 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.970 -7.794 8.177 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.670 -6.747 8.796 1.00 0.00 H new ATOM 636 N PHE A 44 3.617 -3.970 6.200 1.00 0.00 N ATOM 637 CA PHE A 44 2.560 -3.075 5.746 1.00 0.00 C ATOM 638 C PHE A 44 3.043 -2.208 4.586 1.00 0.00 C ATOM 639 O PHE A 44 4.238 -2.143 4.302 1.00 0.00 O ATOM 640 CB PHE A 44 2.085 -2.187 6.897 1.00 0.00 C ATOM 641 CG PHE A 44 3.055 -1.097 7.254 1.00 0.00 C ATOM 642 CD1 PHE A 44 3.296 -0.051 6.380 1.00 0.00 C ATOM 643 CD2 PHE A 44 3.726 -1.121 8.467 1.00 0.00 C ATOM 644 CE1 PHE A 44 4.189 0.952 6.707 1.00 0.00 C ATOM 645 CE2 PHE A 44 4.620 -0.120 8.799 1.00 0.00 C ATOM 646 CZ PHE A 44 4.851 0.918 7.918 1.00 0.00 C ATOM 0 H PHE A 44 4.539 -3.537 6.260 1.00 0.00 H new ATOM 0 HA PHE A 44 1.726 -3.685 5.399 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.129 -1.738 6.628 1.00 0.00 H new ATOM 0 HB3 PHE A 44 1.909 -2.808 7.775 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.780 -0.018 5.432 1.00 0.00 H new ATOM 0 HD2 PHE A 44 3.548 -1.930 9.160 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.369 1.762 6.016 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.137 -0.150 9.747 1.00 0.00 H new ATOM 0 HZ PHE A 44 5.548 1.702 8.176 1.00 0.00 H new ATOM 656 N ALA A 45 2.104 -1.544 3.921 1.00 0.00 N ATOM 657 CA ALA A 45 2.433 -0.680 2.793 1.00 0.00 C ATOM 658 C ALA A 45 1.330 0.344 2.547 1.00 0.00 C ATOM 659 O ALA A 45 0.159 0.092 2.832 1.00 0.00 O ATOM 660 CB ALA A 45 2.669 -1.513 1.542 1.00 0.00 C ATOM 0 H ALA A 45 1.109 -1.587 4.143 1.00 0.00 H new ATOM 0 HA ALA A 45 3.348 -0.140 3.035 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.914 -0.855 0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.495 -2.203 1.715 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.768 -2.078 1.306 1.00 0.00 H new ATOM 666 N PHE A 46 1.713 1.502 2.019 1.00 0.00 N ATOM 667 CA PHE A 46 0.757 2.566 1.737 1.00 0.00 C ATOM 668 C PHE A 46 0.417 2.612 0.250 1.00 0.00 C ATOM 669 O PHE A 46 1.241 3.006 -0.576 1.00 0.00 O ATOM 670 CB PHE A 46 1.319 3.918 2.184 1.00 0.00 C ATOM 671 CG PHE A 46 0.371 5.062 1.968 1.00 0.00 C ATOM 672 CD1 PHE A 46 -0.679 5.285 2.844 1.00 0.00 C ATOM 673 CD2 PHE A 46 0.531 5.917 0.889 1.00 0.00 C ATOM 674 CE1 PHE A 46 -1.553 6.337 2.647 1.00 0.00 C ATOM 675 CE2 PHE A 46 -0.339 6.971 0.687 1.00 0.00 C ATOM 676 CZ PHE A 46 -1.382 7.182 1.567 1.00 0.00 C ATOM 0 H PHE A 46 2.678 1.727 1.778 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.156 2.357 2.295 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.575 3.864 3.242 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.244 4.115 1.642 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.816 4.629 3.691 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.345 5.757 0.198 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.369 6.499 3.336 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.203 7.629 -0.158 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.063 8.006 1.412 1.00 0.00 H new ATOM 686 N VAL A 47 -0.804 2.205 -0.085 1.00 0.00 N ATOM 687 CA VAL A 47 -1.254 2.199 -1.471 1.00 0.00 C ATOM 688 C VAL A 47 -2.164 3.389 -1.759 1.00 0.00 C ATOM 689 O VAL A 47 -3.043 3.719 -0.964 1.00 0.00 O ATOM 690 CB VAL A 47 -2.006 0.899 -1.813 1.00 0.00 C ATOM 691 CG1 VAL A 47 -2.432 0.895 -3.272 1.00 0.00 C ATOM 692 CG2 VAL A 47 -1.143 -0.313 -1.497 1.00 0.00 C ATOM 0 H VAL A 47 -1.499 1.875 0.585 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.361 2.268 -2.093 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.905 0.847 -1.198 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.962 -0.032 -3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.090 1.743 -3.461 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.550 0.970 -3.909 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.689 -1.223 -1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.226 -0.269 -2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.895 -0.316 -0.436 1.00 0.00 H new ATOM 702 N THR A 48 -1.946 4.031 -2.903 1.00 0.00 N ATOM 703 CA THR A 48 -2.744 5.185 -3.296 1.00 0.00 C ATOM 704 C THR A 48 -3.587 4.877 -4.529 1.00 0.00 C ATOM 705 O THR A 48 -3.074 4.389 -5.536 1.00 0.00 O ATOM 706 CB THR A 48 -1.856 6.409 -3.588 1.00 0.00 C ATOM 707 OG1 THR A 48 -1.077 6.736 -2.432 1.00 0.00 O ATOM 708 CG2 THR A 48 -2.702 7.608 -3.990 1.00 0.00 C ATOM 0 H THR A 48 -1.223 3.771 -3.573 1.00 0.00 H new ATOM 0 HA THR A 48 -3.402 5.414 -2.458 1.00 0.00 H new ATOM 0 HB THR A 48 -1.192 6.159 -4.415 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.559 6.461 -1.624 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.053 8.460 -4.191 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.272 7.367 -4.887 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.388 7.857 -3.180 1.00 0.00 H new ATOM 716 N PHE A 49 -4.881 5.166 -4.442 1.00 0.00 N ATOM 717 CA PHE A 49 -5.794 4.919 -5.552 1.00 0.00 C ATOM 718 C PHE A 49 -6.318 6.232 -6.127 1.00 0.00 C ATOM 719 O PHE A 49 -6.844 7.074 -5.400 1.00 0.00 O ATOM 720 CB PHE A 49 -6.965 4.047 -5.092 1.00 0.00 C ATOM 721 CG PHE A 49 -6.600 2.600 -4.917 1.00 0.00 C ATOM 722 CD1 PHE A 49 -6.436 1.775 -6.017 1.00 0.00 C ATOM 723 CD2 PHE A 49 -6.425 2.065 -3.651 1.00 0.00 C ATOM 724 CE1 PHE A 49 -6.100 0.443 -5.860 1.00 0.00 C ATOM 725 CE2 PHE A 49 -6.090 0.734 -3.487 1.00 0.00 C ATOM 726 CZ PHE A 49 -5.929 -0.078 -4.592 1.00 0.00 C ATOM 0 H PHE A 49 -5.321 5.571 -3.616 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.244 4.394 -6.333 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.347 4.434 -4.148 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.773 4.125 -5.819 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.572 2.177 -7.010 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.552 2.695 -2.783 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.972 -0.189 -6.727 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.954 0.329 -2.495 1.00 0.00 H new ATOM 0 HZ PHE A 49 -5.670 -1.119 -4.465 1.00 0.00 H new ATOM 736 N ALA A 50 -6.172 6.397 -7.438 1.00 0.00 N ATOM 737 CA ALA A 50 -6.631 7.605 -8.111 1.00 0.00 C ATOM 738 C ALA A 50 -8.003 8.030 -7.601 1.00 0.00 C ATOM 739 O ALA A 50 -8.375 9.201 -7.692 1.00 0.00 O ATOM 740 CB ALA A 50 -6.670 7.387 -9.616 1.00 0.00 C ATOM 0 H ALA A 50 -5.739 5.709 -8.054 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.926 8.406 -7.888 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.015 8.297 -10.107 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.671 7.138 -9.974 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.352 6.569 -9.848 1.00 0.00 H new ATOM 746 N ASP A 51 -8.752 7.073 -7.064 1.00 0.00 N ATOM 747 CA ASP A 51 -10.084 7.348 -6.539 1.00 0.00 C ATOM 748 C ASP A 51 -10.190 6.926 -5.077 1.00 0.00 C ATOM 749 O ASP A 51 -9.779 5.825 -4.707 1.00 0.00 O ATOM 750 CB ASP A 51 -11.144 6.623 -7.371 1.00 0.00 C ATOM 751 CG ASP A 51 -11.965 7.575 -8.218 1.00 0.00 C ATOM 752 OD1 ASP A 51 -11.364 8.355 -8.985 1.00 0.00 O ATOM 753 OD2 ASP A 51 -13.209 7.540 -8.113 1.00 0.00 O ATOM 0 H ASP A 51 -8.459 6.100 -6.981 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.257 8.422 -6.601 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.657 5.893 -8.018 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.807 6.068 -6.707 1.00 0.00 H new ATOM 758 N ASP A 52 -10.742 7.806 -4.250 1.00 0.00 N ATOM 759 CA ASP A 52 -10.902 7.525 -2.829 1.00 0.00 C ATOM 760 C ASP A 52 -11.938 6.427 -2.605 1.00 0.00 C ATOM 761 O ASP A 52 -11.844 5.659 -1.648 1.00 0.00 O ATOM 762 CB ASP A 52 -11.314 8.792 -2.078 1.00 0.00 C ATOM 763 CG ASP A 52 -12.737 9.213 -2.391 1.00 0.00 C ATOM 764 OD1 ASP A 52 -12.932 9.976 -3.360 1.00 0.00 O ATOM 765 OD2 ASP A 52 -13.657 8.777 -1.666 1.00 0.00 O ATOM 0 H ASP A 52 -11.087 8.721 -4.540 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.943 7.180 -2.443 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.215 8.624 -1.006 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.633 9.602 -2.337 1.00 0.00 H new ATOM 770 N GLN A 53 -12.925 6.362 -3.493 1.00 0.00 N ATOM 771 CA GLN A 53 -13.979 5.359 -3.391 1.00 0.00 C ATOM 772 C GLN A 53 -13.412 3.954 -3.569 1.00 0.00 C ATOM 773 O GLN A 53 -13.882 3.002 -2.945 1.00 0.00 O ATOM 774 CB GLN A 53 -15.064 5.621 -4.436 1.00 0.00 C ATOM 775 CG GLN A 53 -15.819 6.922 -4.218 1.00 0.00 C ATOM 776 CD GLN A 53 -16.991 6.764 -3.269 1.00 0.00 C ATOM 777 OE1 GLN A 53 -17.995 6.136 -3.605 1.00 0.00 O ATOM 778 NE2 GLN A 53 -16.869 7.335 -2.076 1.00 0.00 N ATOM 0 H GLN A 53 -13.017 6.991 -4.290 1.00 0.00 H new ATOM 0 HA GLN A 53 -14.419 5.430 -2.396 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -14.607 5.638 -5.425 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -15.773 4.793 -4.426 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -15.135 7.673 -3.823 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -16.180 7.293 -5.177 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -16.019 7.846 -1.840 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -17.626 7.262 -1.396 1.00 0.00 H new ATOM 787 N ILE A 54 -12.403 3.832 -4.424 1.00 0.00 N ATOM 788 CA ILE A 54 -11.773 2.544 -4.684 1.00 0.00 C ATOM 789 C ILE A 54 -11.023 2.041 -3.455 1.00 0.00 C ATOM 790 O ILE A 54 -11.013 0.844 -3.169 1.00 0.00 O ATOM 791 CB ILE A 54 -10.795 2.624 -5.871 1.00 0.00 C ATOM 792 CG1 ILE A 54 -11.519 3.120 -7.124 1.00 0.00 C ATOM 793 CG2 ILE A 54 -10.157 1.267 -6.124 1.00 0.00 C ATOM 794 CD1 ILE A 54 -10.588 3.445 -8.271 1.00 0.00 C ATOM 0 H ILE A 54 -12.004 4.610 -4.949 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.573 1.846 -4.930 1.00 0.00 H new ATOM 0 HB ILE A 54 -10.006 3.334 -5.625 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -12.230 2.360 -7.448 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -12.096 4.010 -6.872 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.468 1.340 -6.966 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.611 0.950 -5.235 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -10.933 0.537 -6.353 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.170 3.790 -9.125 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.893 4.227 -7.965 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -10.029 2.552 -8.550 1.00 0.00 H new ATOM 806 N ALA A 55 -10.399 2.964 -2.730 1.00 0.00 N ATOM 807 CA ALA A 55 -9.651 2.615 -1.529 1.00 0.00 C ATOM 808 C ALA A 55 -10.589 2.244 -0.386 1.00 0.00 C ATOM 809 O ALA A 55 -10.331 1.298 0.358 1.00 0.00 O ATOM 810 CB ALA A 55 -8.746 3.766 -1.120 1.00 0.00 C ATOM 0 H ALA A 55 -10.397 3.959 -2.954 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.035 1.745 -1.754 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.193 3.492 -0.222 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.045 3.982 -1.926 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.351 4.650 -0.919 1.00 0.00 H new ATOM 816 N GLN A 56 -11.677 2.996 -0.252 1.00 0.00 N ATOM 817 CA GLN A 56 -12.652 2.746 0.803 1.00 0.00 C ATOM 818 C GLN A 56 -13.387 1.431 0.565 1.00 0.00 C ATOM 819 O GLN A 56 -13.380 0.542 1.416 1.00 0.00 O ATOM 820 CB GLN A 56 -13.656 3.897 0.882 1.00 0.00 C ATOM 821 CG GLN A 56 -13.568 4.694 2.174 1.00 0.00 C ATOM 822 CD GLN A 56 -13.830 3.845 3.401 1.00 0.00 C ATOM 823 OE1 GLN A 56 -12.914 3.541 4.167 1.00 0.00 O ATOM 824 NE2 GLN A 56 -15.084 3.456 3.597 1.00 0.00 N ATOM 0 H GLN A 56 -11.905 3.782 -0.860 1.00 0.00 H new ATOM 0 HA GLN A 56 -12.115 2.675 1.749 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -13.493 4.568 0.039 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -14.664 3.496 0.780 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -12.578 5.144 2.252 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -14.288 5.512 2.142 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -15.812 3.730 2.937 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -15.319 2.883 4.407 1.00 0.00 H new ATOM 833 N SER A 57 -14.020 1.315 -0.598 1.00 0.00 N ATOM 834 CA SER A 57 -14.764 0.109 -0.947 1.00 0.00 C ATOM 835 C SER A 57 -13.921 -1.139 -0.699 1.00 0.00 C ATOM 836 O SER A 57 -14.434 -2.171 -0.264 1.00 0.00 O ATOM 837 CB SER A 57 -15.201 0.161 -2.412 1.00 0.00 C ATOM 838 OG SER A 57 -16.488 0.740 -2.540 1.00 0.00 O ATOM 0 H SER A 57 -14.033 2.041 -1.315 1.00 0.00 H new ATOM 0 HA SER A 57 -15.649 0.060 -0.313 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.480 0.739 -2.990 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.209 -0.846 -2.828 1.00 0.00 H new ATOM 0 HG SER A 57 -16.744 0.763 -3.486 1.00 0.00 H new ATOM 844 N LEU A 58 -12.627 -1.037 -0.979 1.00 0.00 N ATOM 845 CA LEU A 58 -11.712 -2.156 -0.786 1.00 0.00 C ATOM 846 C LEU A 58 -11.515 -2.450 0.697 1.00 0.00 C ATOM 847 O LEU A 58 -11.432 -3.610 1.104 1.00 0.00 O ATOM 848 CB LEU A 58 -10.363 -1.856 -1.442 1.00 0.00 C ATOM 849 CG LEU A 58 -10.162 -2.414 -2.852 1.00 0.00 C ATOM 850 CD1 LEU A 58 -8.823 -1.967 -3.417 1.00 0.00 C ATOM 851 CD2 LEU A 58 -10.258 -3.933 -2.842 1.00 0.00 C ATOM 0 H LEU A 58 -12.187 -0.191 -1.341 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.150 -3.036 -1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.232 -0.774 -1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.574 -2.250 -0.801 1.00 0.00 H new ATOM 0 HG LEU A 58 -10.952 -2.023 -3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.698 -2.374 -4.421 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.791 -0.878 -3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.019 -2.328 -2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.113 -4.313 -3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.489 -4.342 -2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.241 -4.233 -2.479 1.00 0.00 H new ATOM 863 N CYS A 59 -11.444 -1.394 1.500 1.00 0.00 N ATOM 864 CA CYS A 59 -11.260 -1.539 2.940 1.00 0.00 C ATOM 865 C CYS A 59 -12.229 -2.569 3.512 1.00 0.00 C ATOM 866 O CYS A 59 -13.421 -2.551 3.208 1.00 0.00 O ATOM 867 CB CYS A 59 -11.456 -0.193 3.638 1.00 0.00 C ATOM 868 SG CYS A 59 -10.242 1.065 3.172 1.00 0.00 S ATOM 0 H CYS A 59 -11.511 -0.428 1.179 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.243 -1.887 3.118 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -12.455 0.180 3.411 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.410 -0.345 4.716 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.286 1.256 1.887 1.00 0.00 H new ATOM 874 N GLY A 60 -11.708 -3.468 4.341 1.00 0.00 N ATOM 875 CA GLY A 60 -12.540 -4.494 4.941 1.00 0.00 C ATOM 876 C GLY A 60 -12.572 -5.768 4.119 1.00 0.00 C ATOM 877 O GLY A 60 -12.979 -6.820 4.612 1.00 0.00 O ATOM 0 H GLY A 60 -10.724 -3.504 4.608 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.169 -4.719 5.941 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.555 -4.114 5.056 1.00 0.00 H new ATOM 881 N GLU A 61 -12.141 -5.673 2.865 1.00 0.00 N ATOM 882 CA GLU A 61 -12.125 -6.828 1.975 1.00 0.00 C ATOM 883 C GLU A 61 -10.822 -7.608 2.119 1.00 0.00 C ATOM 884 O GLU A 61 -9.734 -7.032 2.092 1.00 0.00 O ATOM 885 CB GLU A 61 -12.308 -6.382 0.522 1.00 0.00 C ATOM 886 CG GLU A 61 -13.664 -5.758 0.242 1.00 0.00 C ATOM 887 CD GLU A 61 -14.729 -6.793 -0.066 1.00 0.00 C ATOM 888 OE1 GLU A 61 -14.890 -7.735 0.737 1.00 0.00 O ATOM 889 OE2 GLU A 61 -15.400 -6.660 -1.111 1.00 0.00 O ATOM 0 H GLU A 61 -11.799 -4.810 2.443 1.00 0.00 H new ATOM 0 HA GLU A 61 -12.952 -7.481 2.254 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.528 -5.663 0.271 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.171 -7.242 -0.133 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.974 -5.169 1.105 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.577 -5.070 -0.599 1.00 0.00 H new ATOM 896 N ASP A 62 -10.940 -8.922 2.274 1.00 0.00 N ATOM 897 CA ASP A 62 -9.772 -9.782 2.422 1.00 0.00 C ATOM 898 C ASP A 62 -9.324 -10.329 1.070 1.00 0.00 C ATOM 899 O ASP A 62 -10.035 -11.112 0.439 1.00 0.00 O ATOM 900 CB ASP A 62 -10.082 -10.938 3.376 1.00 0.00 C ATOM 901 CG ASP A 62 -9.647 -10.647 4.799 1.00 0.00 C ATOM 902 OD1 ASP A 62 -10.119 -9.642 5.370 1.00 0.00 O ATOM 903 OD2 ASP A 62 -8.833 -11.424 5.341 1.00 0.00 O ATOM 0 H ASP A 62 -11.833 -9.415 2.300 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.961 -9.184 2.838 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.153 -11.141 3.361 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.582 -11.840 3.024 1.00 0.00 H new ATOM 908 N LEU A 63 -8.143 -9.910 0.632 1.00 0.00 N ATOM 909 CA LEU A 63 -7.599 -10.356 -0.646 1.00 0.00 C ATOM 910 C LEU A 63 -6.420 -11.302 -0.437 1.00 0.00 C ATOM 911 O LEU A 63 -5.699 -11.199 0.555 1.00 0.00 O ATOM 912 CB LEU A 63 -7.160 -9.153 -1.484 1.00 0.00 C ATOM 913 CG LEU A 63 -7.972 -7.872 -1.295 1.00 0.00 C ATOM 914 CD1 LEU A 63 -7.353 -6.727 -2.083 1.00 0.00 C ATOM 915 CD2 LEU A 63 -9.419 -8.090 -1.713 1.00 0.00 C ATOM 0 H LEU A 63 -7.543 -9.262 1.143 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.383 -10.895 -1.178 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.117 -8.936 -1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.202 -9.434 -2.536 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.957 -7.608 -0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.944 -5.823 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.334 -6.555 -1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.336 -6.982 -3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.982 -7.167 -1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.455 -8.379 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.859 -8.880 -1.104 1.00 0.00 H new ATOM 927 N ILE A 64 -6.231 -12.220 -1.379 1.00 0.00 N ATOM 928 CA ILE A 64 -5.138 -13.181 -1.298 1.00 0.00 C ATOM 929 C ILE A 64 -4.048 -12.860 -2.315 1.00 0.00 C ATOM 930 O ILE A 64 -4.316 -12.744 -3.512 1.00 0.00 O ATOM 931 CB ILE A 64 -5.635 -14.619 -1.532 1.00 0.00 C ATOM 932 CG1 ILE A 64 -6.903 -14.883 -0.717 1.00 0.00 C ATOM 933 CG2 ILE A 64 -4.549 -15.621 -1.171 1.00 0.00 C ATOM 934 CD1 ILE A 64 -6.627 -15.338 0.699 1.00 0.00 C ATOM 0 H ILE A 64 -6.820 -12.318 -2.206 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.726 -13.107 -0.292 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.874 -14.737 -2.589 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.502 -13.973 -0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.500 -15.641 -1.224 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.916 -16.633 -1.342 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.670 -15.444 -1.791 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.281 -15.505 -0.121 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.571 -15.506 1.218 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.054 -16.265 0.678 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.057 -14.571 1.223 1.00 0.00 H new ATOM 946 N ILE A 65 -2.818 -12.719 -1.831 1.00 0.00 N ATOM 947 CA ILE A 65 -1.688 -12.415 -2.698 1.00 0.00 C ATOM 948 C ILE A 65 -0.577 -13.448 -2.536 1.00 0.00 C ATOM 949 O ILE A 65 0.215 -13.382 -1.595 1.00 0.00 O ATOM 950 CB ILE A 65 -1.117 -11.014 -2.409 1.00 0.00 C ATOM 951 CG1 ILE A 65 -2.185 -9.945 -2.650 1.00 0.00 C ATOM 952 CG2 ILE A 65 0.107 -10.751 -3.274 1.00 0.00 C ATOM 953 CD1 ILE A 65 -1.811 -8.584 -2.105 1.00 0.00 C ATOM 0 H ILE A 65 -2.580 -12.811 -0.843 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.060 -12.442 -3.722 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.814 -10.970 -1.363 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.368 -9.861 -3.721 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.120 -10.267 -2.191 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.499 -9.757 -3.058 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.872 -11.497 -3.059 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.171 -10.810 -4.326 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.614 -7.876 -2.312 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.656 -8.653 -1.028 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.893 -8.241 -2.582 1.00 0.00 H new ATOM 965 N LYS A 66 -0.521 -14.400 -3.461 1.00 0.00 N ATOM 966 CA LYS A 66 0.494 -15.446 -3.423 1.00 0.00 C ATOM 967 C LYS A 66 0.138 -16.512 -2.393 1.00 0.00 C ATOM 968 O LYS A 66 0.913 -17.437 -2.150 1.00 0.00 O ATOM 969 CB LYS A 66 1.863 -14.844 -3.099 1.00 0.00 C ATOM 970 CG LYS A 66 2.090 -13.478 -3.723 1.00 0.00 C ATOM 971 CD LYS A 66 3.403 -13.426 -4.487 1.00 0.00 C ATOM 972 CE LYS A 66 3.413 -14.410 -5.646 1.00 0.00 C ATOM 973 NZ LYS A 66 3.609 -13.725 -6.954 1.00 0.00 N ATOM 0 H LYS A 66 -1.167 -14.469 -4.247 1.00 0.00 H new ATOM 0 HA LYS A 66 0.534 -15.916 -4.406 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.968 -14.762 -2.017 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.641 -15.525 -3.444 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.266 -13.243 -4.397 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.091 -12.716 -2.943 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.566 -12.416 -4.864 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.228 -13.651 -3.811 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.208 -15.140 -5.496 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.473 -14.962 -5.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.610 -14.430 -7.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.836 -13.046 -7.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.518 -13.219 -6.948 1.00 0.00 H new ATOM 987 N GLY A 67 -1.040 -16.379 -1.791 1.00 0.00 N ATOM 988 CA GLY A 67 -1.477 -17.339 -0.795 1.00 0.00 C ATOM 989 C GLY A 67 -1.772 -16.692 0.544 1.00 0.00 C ATOM 990 O GLY A 67 -2.612 -17.177 1.303 1.00 0.00 O ATOM 0 H GLY A 67 -1.699 -15.623 -1.976 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.371 -17.848 -1.154 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.707 -18.100 -0.666 1.00 0.00 H new ATOM 994 N ILE A 68 -1.080 -15.596 0.835 1.00 0.00 N ATOM 995 CA ILE A 68 -1.273 -14.882 2.092 1.00 0.00 C ATOM 996 C ILE A 68 -2.539 -14.034 2.054 1.00 0.00 C ATOM 997 O ILE A 68 -2.978 -13.603 0.988 1.00 0.00 O ATOM 998 CB ILE A 68 -0.070 -13.976 2.414 1.00 0.00 C ATOM 999 CG1 ILE A 68 0.099 -12.912 1.328 1.00 0.00 C ATOM 1000 CG2 ILE A 68 1.197 -14.806 2.552 1.00 0.00 C ATOM 1001 CD1 ILE A 68 -0.283 -11.520 1.781 1.00 0.00 C ATOM 0 H ILE A 68 -0.381 -15.183 0.218 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.368 -15.637 2.873 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.256 -13.474 3.363 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.137 -12.905 0.996 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.510 -13.185 0.466 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.038 -14.151 2.780 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.072 -15.529 3.358 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.390 -15.333 1.618 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.138 -10.818 0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.329 -11.511 2.086 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.343 -11.227 2.624 1.00 0.00 H new ATOM 1013 N SER A 69 -3.122 -13.798 3.225 1.00 0.00 N ATOM 1014 CA SER A 69 -4.340 -13.003 3.327 1.00 0.00 C ATOM 1015 C SER A 69 -4.051 -11.644 3.958 1.00 0.00 C ATOM 1016 O SER A 69 -3.620 -11.561 5.109 1.00 0.00 O ATOM 1017 CB SER A 69 -5.393 -13.748 4.149 1.00 0.00 C ATOM 1018 OG SER A 69 -6.702 -13.408 3.729 1.00 0.00 O ATOM 0 H SER A 69 -2.770 -14.146 4.117 1.00 0.00 H new ATOM 0 HA SER A 69 -4.724 -12.841 2.320 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.243 -14.823 4.049 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.272 -13.506 5.205 1.00 0.00 H new ATOM 0 HG SER A 69 -7.357 -13.899 4.269 1.00 0.00 H new ATOM 1024 N VAL A 70 -4.291 -10.582 3.198 1.00 0.00 N ATOM 1025 CA VAL A 70 -4.058 -9.227 3.683 1.00 0.00 C ATOM 1026 C VAL A 70 -5.373 -8.521 3.997 1.00 0.00 C ATOM 1027 O VAL A 70 -6.436 -8.931 3.530 1.00 0.00 O ATOM 1028 CB VAL A 70 -3.273 -8.390 2.654 1.00 0.00 C ATOM 1029 CG1 VAL A 70 -1.895 -8.990 2.418 1.00 0.00 C ATOM 1030 CG2 VAL A 70 -4.048 -8.285 1.349 1.00 0.00 C ATOM 0 H VAL A 70 -4.647 -10.633 2.243 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.469 -9.315 4.596 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.142 -7.384 3.054 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.355 -8.386 1.689 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.340 -9.008 3.356 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.001 -10.007 2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.479 -7.691 0.634 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.212 -9.283 0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.010 -7.806 1.534 1.00 0.00 H new ATOM 1040 N HIS A 71 -5.293 -7.459 4.792 1.00 0.00 N ATOM 1041 CA HIS A 71 -6.477 -6.696 5.168 1.00 0.00 C ATOM 1042 C HIS A 71 -6.333 -5.232 4.760 1.00 0.00 C ATOM 1043 O HIS A 71 -5.463 -4.520 5.263 1.00 0.00 O ATOM 1044 CB HIS A 71 -6.716 -6.795 6.675 1.00 0.00 C ATOM 1045 CG HIS A 71 -8.066 -6.306 7.101 1.00 0.00 C ATOM 1046 ND1 HIS A 71 -9.152 -7.141 7.264 1.00 0.00 N ATOM 1047 CD2 HIS A 71 -8.503 -5.060 7.399 1.00 0.00 C ATOM 1048 CE1 HIS A 71 -10.199 -6.429 7.642 1.00 0.00 C ATOM 1049 NE2 HIS A 71 -9.831 -5.164 7.733 1.00 0.00 N ATOM 0 H HIS A 71 -4.421 -7.108 5.188 1.00 0.00 H new ATOM 0 HA HIS A 71 -7.333 -7.119 4.643 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.600 -7.833 6.985 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.950 -6.220 7.195 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -7.917 -4.153 7.378 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -11.187 -6.816 7.842 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -10.435 -4.389 8.007 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.189 -4.790 3.845 1.00 0.00 N ATOM 1058 CA ILE A 72 -7.157 -3.413 3.371 1.00 0.00 C ATOM 1059 C ILE A 72 -7.830 -2.473 4.365 1.00 0.00 C ATOM 1060 O ILE A 72 -8.982 -2.678 4.746 1.00 0.00 O ATOM 1061 CB ILE A 72 -7.847 -3.273 2.000 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -7.414 -4.407 1.069 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -7.526 -1.921 1.382 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -5.988 -4.280 0.583 1.00 0.00 C ATOM 0 H ILE A 72 -7.914 -5.366 3.417 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.107 -3.139 3.270 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.926 -3.338 2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.528 -5.357 1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.082 -4.434 0.208 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.020 -1.837 0.414 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.879 -1.127 2.040 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.448 -1.829 1.248 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.751 -5.118 -0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.873 -3.346 0.033 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.311 -4.284 1.437 1.00 0.00 H new ATOM 1076 N SER A 73 -7.104 -1.440 4.778 1.00 0.00 N ATOM 1077 CA SER A 73 -7.630 -0.468 5.731 1.00 0.00 C ATOM 1078 C SER A 73 -7.195 0.946 5.358 1.00 0.00 C ATOM 1079 O SER A 73 -6.371 1.139 4.466 1.00 0.00 O ATOM 1080 CB SER A 73 -7.159 -0.803 7.147 1.00 0.00 C ATOM 1081 OG SER A 73 -7.830 -0.008 8.109 1.00 0.00 O ATOM 0 H SER A 73 -6.150 -1.254 4.468 1.00 0.00 H new ATOM 0 HA SER A 73 -8.718 -0.516 5.699 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.339 -1.858 7.353 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.084 -0.642 7.224 1.00 0.00 H new ATOM 0 HG SER A 73 -7.513 -0.242 9.006 1.00 0.00 H new