USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 790 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 87 SER OG : rot 11:sc= 1.42 USER MOD Set 1.2: A 91 LYS NZ :NH3+ 162:sc= 1.12 (180deg=0) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.455 USER MOD Set 2.2: A 10 SER OG : rot -83:sc= 1.13 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.00068 USER MOD Single : A 15 THR OG1 : rot -84:sc= 1.36 USER MOD Single : A 16 SER OG : rot 67:sc= 1.3 USER MOD Single : A 33 LYS NZ :NH3+ 159:sc= 1.6 (180deg=1.14) USER MOD Single : A 34 MET CE :methyl -151:sc= -0.0742 (180deg=-0.245) USER MOD Single : A 44 GLN : amide:sc= 0.202 X(o=0.2,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -169:sc= 1.32 (180deg=1.17) USER MOD Single : A 51 LYS NZ :NH3+ -171:sc= 3.6 (180deg=3.51) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 1.74 K(o=1.7,f=-3.4!) USER MOD Single : A 61 GLN : amide:sc= 1.13 K(o=1.1,f=-0.042) USER MOD Single : A 63 THR OG1 : rot -66:sc= 1.26 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -131:sc= 0.585 USER MOD Single : A 70 MET CE :methyl -175:sc= 0 (180deg=-0.0469) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 130:sc= 1.28 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -179:sc= 1.34 (180deg=1.27) USER MOD Single : A 97 GLN : amide:sc= 0.557 K(o=0.56,f=0) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 102 LYS NZ :NH3+ -174:sc= 1.23 (180deg=1.14) USER MOD Single : A 103 HIS : no HE2:sc= -0.41 K(o=-0.41,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 30 N ILE A 3 6.089 2.132 0.801 1.00 0.00 N ATOM 31 CA ILE A 3 6.944 2.601 1.886 1.00 0.00 C ATOM 32 C ILE A 3 6.307 3.873 2.465 1.00 0.00 C ATOM 33 O ILE A 3 5.704 4.672 1.740 1.00 0.00 O ATOM 34 CB ILE A 3 8.374 2.855 1.353 1.00 0.00 C ATOM 35 CG1 ILE A 3 9.026 1.550 0.840 1.00 0.00 C ATOM 36 CG2 ILE A 3 9.315 3.474 2.407 1.00 0.00 C ATOM 37 CD1 ILE A 3 9.826 1.788 -0.438 1.00 0.00 C ATOM 0 HA ILE A 3 7.029 1.855 2.677 1.00 0.00 H new ATOM 0 HB ILE A 3 8.248 3.566 0.537 1.00 0.00 H new ATOM 0 HG12 ILE A 3 9.681 1.143 1.610 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.253 0.805 0.653 1.00 0.00 H new ATOM 0 HG21 ILE A 3 10.301 3.627 1.969 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.912 4.432 2.737 1.00 0.00 H new ATOM 0 HG23 ILE A 3 9.397 2.802 3.261 1.00 0.00 H new ATOM 0 HD11 ILE A 3 10.270 0.849 -0.770 1.00 0.00 H new ATOM 0 HD12 ILE A 3 9.165 2.171 -1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.616 2.514 -0.243 1.00 0.00 H new ATOM 49 N VAL A 4 6.480 4.072 3.768 1.00 0.00 N ATOM 50 CA VAL A 4 5.970 5.179 4.562 1.00 0.00 C ATOM 51 C VAL A 4 7.116 5.599 5.499 1.00 0.00 C ATOM 52 O VAL A 4 8.092 4.862 5.679 1.00 0.00 O ATOM 53 CB VAL A 4 4.687 4.722 5.311 1.00 0.00 C ATOM 54 CG1 VAL A 4 3.986 5.855 6.076 1.00 0.00 C ATOM 55 CG2 VAL A 4 3.638 4.104 4.367 1.00 0.00 C ATOM 0 H VAL A 4 7.018 3.416 4.334 1.00 0.00 H new ATOM 0 HA VAL A 4 5.673 6.039 3.962 1.00 0.00 H new ATOM 0 HB VAL A 4 5.055 3.977 6.016 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.099 5.463 6.574 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.668 6.268 6.820 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.693 6.639 5.377 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.763 3.803 4.943 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.344 4.840 3.618 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.064 3.232 3.871 1.00 0.00 H new ATOM 65 N LYS A 5 7.011 6.781 6.105 1.00 0.00 N ATOM 66 CA LYS A 5 7.938 7.276 7.119 1.00 0.00 C ATOM 67 C LYS A 5 7.127 7.520 8.387 1.00 0.00 C ATOM 68 O LYS A 5 5.963 7.917 8.290 1.00 0.00 O ATOM 69 CB LYS A 5 8.603 8.561 6.625 1.00 0.00 C ATOM 70 CG LYS A 5 9.773 8.993 7.532 1.00 0.00 C ATOM 71 CD LYS A 5 10.874 9.674 6.714 1.00 0.00 C ATOM 72 CE LYS A 5 11.581 8.621 5.844 1.00 0.00 C ATOM 73 NZ LYS A 5 12.266 9.233 4.674 1.00 0.00 N ATOM 0 H LYS A 5 6.258 7.437 5.898 1.00 0.00 H new ATOM 0 HA LYS A 5 8.733 6.558 7.321 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.968 8.412 5.609 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.862 9.360 6.584 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.410 9.675 8.301 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.181 8.123 8.046 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.446 10.455 6.085 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.592 10.156 7.378 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.309 8.081 6.449 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.852 7.890 5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.729 8.489 4.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.568 9.727 4.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.980 9.912 5.006 1.00 0.00 H new ATOM 87 N ALA A 6 7.719 7.308 9.557 1.00 0.00 N ATOM 88 CA ALA A 6 7.038 7.470 10.837 1.00 0.00 C ATOM 89 C ALA A 6 7.983 8.038 11.892 1.00 0.00 C ATOM 90 O ALA A 6 9.200 8.102 11.705 1.00 0.00 O ATOM 91 CB ALA A 6 6.466 6.123 11.301 1.00 0.00 C ATOM 0 H ALA A 6 8.693 7.017 9.645 1.00 0.00 H new ATOM 0 HA ALA A 6 6.219 8.177 10.704 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.959 6.253 12.257 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.755 5.755 10.561 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.277 5.403 11.415 1.00 0.00 H new ATOM 97 N THR A 7 7.388 8.408 13.017 1.00 0.00 N ATOM 98 CA THR A 7 8.011 8.913 14.225 1.00 0.00 C ATOM 99 C THR A 7 7.392 8.181 15.412 1.00 0.00 C ATOM 100 O THR A 7 6.394 7.476 15.257 1.00 0.00 O ATOM 101 CB THR A 7 7.747 10.423 14.352 1.00 0.00 C ATOM 102 OG1 THR A 7 6.371 10.709 14.130 1.00 0.00 O ATOM 103 CG2 THR A 7 8.595 11.226 13.364 1.00 0.00 C ATOM 0 H THR A 7 6.374 8.357 13.113 1.00 0.00 H new ATOM 0 HA THR A 7 9.088 8.749 14.196 1.00 0.00 H new ATOM 0 HB THR A 7 8.023 10.716 15.365 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.219 11.673 14.216 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.382 12.289 13.482 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.652 11.043 13.559 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.356 10.919 12.346 1.00 0.00 H new ATOM 111 N ASP A 8 7.914 8.395 16.618 1.00 0.00 N ATOM 112 CA ASP A 8 7.382 7.790 17.836 1.00 0.00 C ATOM 113 C ASP A 8 5.887 8.080 18.033 1.00 0.00 C ATOM 114 O ASP A 8 5.150 7.252 18.568 1.00 0.00 O ATOM 115 CB ASP A 8 8.164 8.286 19.056 1.00 0.00 C ATOM 116 CG ASP A 8 7.814 7.441 20.290 1.00 0.00 C ATOM 117 OD1 ASP A 8 8.255 6.270 20.348 1.00 0.00 O ATOM 118 OD2 ASP A 8 7.128 7.951 21.205 1.00 0.00 O ATOM 0 H ASP A 8 8.722 8.996 16.778 1.00 0.00 H new ATOM 0 HA ASP A 8 7.497 6.711 17.730 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.234 8.229 18.859 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.930 9.334 19.245 1.00 0.00 H new ATOM 123 N GLN A 9 5.437 9.249 17.560 1.00 0.00 N ATOM 124 CA GLN A 9 4.058 9.711 17.642 1.00 0.00 C ATOM 125 C GLN A 9 3.109 8.931 16.720 1.00 0.00 C ATOM 126 O GLN A 9 1.916 8.838 17.018 1.00 0.00 O ATOM 127 CB GLN A 9 4.003 11.199 17.257 1.00 0.00 C ATOM 128 CG GLN A 9 4.805 12.104 18.206 1.00 0.00 C ATOM 129 CD GLN A 9 4.666 13.577 17.816 1.00 0.00 C ATOM 130 OE1 GLN A 9 5.374 14.078 16.945 1.00 0.00 O ATOM 131 NE2 GLN A 9 3.753 14.307 18.438 1.00 0.00 N ATOM 0 H GLN A 9 6.050 9.918 17.094 1.00 0.00 H new ATOM 0 HA GLN A 9 3.727 9.550 18.668 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.385 11.319 16.243 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.963 11.526 17.247 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.457 11.962 19.229 1.00 0.00 H new ATOM 0 HG3 GLN A 9 5.856 11.817 18.184 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.168 13.886 19.160 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.634 15.291 18.195 1.00 0.00 H new ATOM 140 N SER A 10 3.615 8.385 15.612 1.00 0.00 N ATOM 141 CA SER A 10 2.813 7.824 14.527 1.00 0.00 C ATOM 142 C SER A 10 3.067 6.331 14.287 1.00 0.00 C ATOM 143 O SER A 10 2.222 5.652 13.699 1.00 0.00 O ATOM 144 CB SER A 10 3.095 8.657 13.269 1.00 0.00 C ATOM 145 OG SER A 10 4.486 8.784 13.015 1.00 0.00 O ATOM 0 H SER A 10 4.619 8.320 15.442 1.00 0.00 H new ATOM 0 HA SER A 10 1.759 7.879 14.801 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.611 8.192 12.410 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.656 9.648 13.385 1.00 0.00 H new ATOM 0 HG SER A 10 4.851 9.518 13.552 1.00 0.00 H new ATOM 151 N PHE A 11 4.196 5.804 14.767 1.00 0.00 N ATOM 152 CA PHE A 11 4.668 4.452 14.498 1.00 0.00 C ATOM 153 C PHE A 11 3.605 3.403 14.815 1.00 0.00 C ATOM 154 O PHE A 11 3.348 2.520 13.995 1.00 0.00 O ATOM 155 CB PHE A 11 5.946 4.212 15.314 1.00 0.00 C ATOM 156 CG PHE A 11 6.645 2.910 15.003 1.00 0.00 C ATOM 157 CD1 PHE A 11 7.558 2.856 13.935 1.00 0.00 C ATOM 158 CD2 PHE A 11 6.402 1.761 15.779 1.00 0.00 C ATOM 159 CE1 PHE A 11 8.238 1.663 13.652 1.00 0.00 C ATOM 160 CE2 PHE A 11 7.076 0.564 15.485 1.00 0.00 C ATOM 161 CZ PHE A 11 7.996 0.514 14.425 1.00 0.00 C ATOM 0 H PHE A 11 4.825 6.329 15.374 1.00 0.00 H new ATOM 0 HA PHE A 11 4.884 4.355 13.434 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.638 5.035 15.134 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.695 4.232 16.375 1.00 0.00 H new ATOM 0 HD1 PHE A 11 7.736 3.734 13.332 1.00 0.00 H new ATOM 0 HD2 PHE A 11 5.699 1.800 16.598 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.948 1.627 12.839 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.886 -0.320 16.076 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.517 -0.406 14.204 1.00 0.00 H new ATOM 171 N SER A 12 2.954 3.506 15.975 1.00 0.00 N ATOM 172 CA SER A 12 1.978 2.523 16.421 1.00 0.00 C ATOM 173 C SER A 12 0.764 2.466 15.492 1.00 0.00 C ATOM 174 O SER A 12 0.258 1.383 15.198 1.00 0.00 O ATOM 175 CB SER A 12 1.559 2.843 17.862 1.00 0.00 C ATOM 176 OG SER A 12 2.700 3.114 18.667 1.00 0.00 O ATOM 0 H SER A 12 3.092 4.276 16.629 1.00 0.00 H new ATOM 0 HA SER A 12 2.440 1.536 16.391 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.890 3.703 17.869 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.004 2.003 18.280 1.00 0.00 H new ATOM 0 HG SER A 12 2.414 3.318 19.582 1.00 0.00 H new ATOM 182 N ALA A 13 0.316 3.620 14.990 1.00 0.00 N ATOM 183 CA ALA A 13 -0.793 3.681 14.055 1.00 0.00 C ATOM 184 C ALA A 13 -0.384 3.069 12.720 1.00 0.00 C ATOM 185 O ALA A 13 -1.126 2.268 12.151 1.00 0.00 O ATOM 186 CB ALA A 13 -1.262 5.130 13.880 1.00 0.00 C ATOM 0 H ALA A 13 0.714 4.530 15.223 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.628 3.104 14.453 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.094 5.161 13.176 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.586 5.526 14.842 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.440 5.735 13.497 1.00 0.00 H new ATOM 192 N GLU A 14 0.812 3.412 12.237 1.00 0.00 N ATOM 193 CA GLU A 14 1.301 2.928 10.955 1.00 0.00 C ATOM 194 C GLU A 14 1.482 1.409 10.969 1.00 0.00 C ATOM 195 O GLU A 14 1.218 0.757 9.959 1.00 0.00 O ATOM 196 CB GLU A 14 2.611 3.631 10.550 1.00 0.00 C ATOM 197 CG GLU A 14 2.422 5.098 10.125 1.00 0.00 C ATOM 198 CD GLU A 14 1.433 5.295 8.958 1.00 0.00 C ATOM 199 OE1 GLU A 14 1.214 4.350 8.166 1.00 0.00 O ATOM 200 OE2 GLU A 14 0.864 6.405 8.835 1.00 0.00 O ATOM 0 H GLU A 14 1.461 4.030 12.724 1.00 0.00 H new ATOM 0 HA GLU A 14 0.547 3.171 10.207 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.308 3.592 11.387 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.069 3.080 9.728 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.072 5.671 10.984 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.390 5.510 9.840 1.00 0.00 H new ATOM 207 N THR A 15 1.878 0.836 12.106 1.00 0.00 N ATOM 208 CA THR A 15 2.160 -0.582 12.246 1.00 0.00 C ATOM 209 C THR A 15 0.915 -1.424 12.555 1.00 0.00 C ATOM 210 O THR A 15 1.023 -2.647 12.667 1.00 0.00 O ATOM 211 CB THR A 15 3.307 -0.772 13.250 1.00 0.00 C ATOM 212 OG1 THR A 15 3.072 -0.101 14.468 1.00 0.00 O ATOM 213 CG2 THR A 15 4.634 -0.260 12.671 1.00 0.00 C ATOM 0 H THR A 15 2.013 1.361 12.970 1.00 0.00 H new ATOM 0 HA THR A 15 2.489 -0.968 11.281 1.00 0.00 H new ATOM 0 HB THR A 15 3.364 -1.844 13.442 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.350 0.835 14.385 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.430 -0.406 13.401 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.871 -0.811 11.761 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.544 0.801 12.439 1.00 0.00 H new ATOM 221 N SER A 16 -0.270 -0.808 12.630 1.00 0.00 N ATOM 222 CA SER A 16 -1.521 -1.478 12.967 1.00 0.00 C ATOM 223 C SER A 16 -2.372 -1.749 11.717 1.00 0.00 C ATOM 224 O SER A 16 -3.602 -1.744 11.779 1.00 0.00 O ATOM 225 CB SER A 16 -2.263 -0.674 14.045 1.00 0.00 C ATOM 226 OG SER A 16 -1.504 -0.607 15.237 1.00 0.00 O ATOM 0 H SER A 16 -0.383 0.190 12.454 1.00 0.00 H new ATOM 0 HA SER A 16 -1.302 -2.461 13.385 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.463 0.333 13.680 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.228 -1.137 14.249 1.00 0.00 H new ATOM 0 HG SER A 16 -0.697 -0.074 15.081 1.00 0.00 H new ATOM 232 N GLU A 17 -1.721 -1.979 10.572 1.00 0.00 N ATOM 233 CA GLU A 17 -2.372 -2.211 9.282 1.00 0.00 C ATOM 234 C GLU A 17 -1.734 -3.419 8.578 1.00 0.00 C ATOM 235 O GLU A 17 -1.098 -3.287 7.531 1.00 0.00 O ATOM 236 CB GLU A 17 -2.370 -0.930 8.425 1.00 0.00 C ATOM 237 CG GLU A 17 -3.214 0.198 9.039 1.00 0.00 C ATOM 238 CD GLU A 17 -3.451 1.344 8.042 1.00 0.00 C ATOM 239 OE1 GLU A 17 -2.464 1.965 7.588 1.00 0.00 O ATOM 240 OE2 GLU A 17 -4.624 1.638 7.714 1.00 0.00 O ATOM 0 H GLU A 17 -0.703 -2.009 10.517 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.421 -2.459 9.444 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.344 -0.583 8.300 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.751 -1.163 7.431 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.173 -0.203 9.366 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.712 0.586 9.925 1.00 0.00 H new ATOM 247 N GLY A 18 -1.887 -4.607 9.174 1.00 0.00 N ATOM 248 CA GLY A 18 -1.430 -5.868 8.600 1.00 0.00 C ATOM 249 C GLY A 18 -0.001 -6.160 9.037 1.00 0.00 C ATOM 250 O GLY A 18 0.425 -5.722 10.111 1.00 0.00 O ATOM 0 H GLY A 18 -2.339 -4.716 10.082 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.087 -6.678 8.916 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.482 -5.821 7.512 1.00 0.00 H new ATOM 254 N VAL A 19 0.724 -6.935 8.231 1.00 0.00 N ATOM 255 CA VAL A 19 2.166 -7.087 8.401 1.00 0.00 C ATOM 256 C VAL A 19 2.789 -5.763 7.963 1.00 0.00 C ATOM 257 O VAL A 19 2.436 -5.212 6.914 1.00 0.00 O ATOM 258 CB VAL A 19 2.735 -8.271 7.588 1.00 0.00 C ATOM 259 CG1 VAL A 19 4.247 -8.452 7.837 1.00 0.00 C ATOM 260 CG2 VAL A 19 2.028 -9.585 7.957 1.00 0.00 C ATOM 0 H VAL A 19 0.334 -7.467 7.453 1.00 0.00 H new ATOM 0 HA VAL A 19 2.402 -7.316 9.440 1.00 0.00 H new ATOM 0 HB VAL A 19 2.563 -8.038 6.537 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.614 -9.293 7.250 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.775 -7.545 7.542 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.421 -8.645 8.896 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.448 -10.402 7.370 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.171 -9.790 9.018 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.962 -9.497 7.745 1.00 0.00 H new ATOM 270 N VAL A 20 3.742 -5.273 8.745 1.00 0.00 N ATOM 271 CA VAL A 20 4.469 -4.046 8.491 1.00 0.00 C ATOM 272 C VAL A 20 5.929 -4.346 8.817 1.00 0.00 C ATOM 273 O VAL A 20 6.216 -5.075 9.767 1.00 0.00 O ATOM 274 CB VAL A 20 3.868 -2.903 9.339 1.00 0.00 C ATOM 275 CG1 VAL A 20 4.575 -1.571 9.049 1.00 0.00 C ATOM 276 CG2 VAL A 20 2.358 -2.740 9.064 1.00 0.00 C ATOM 0 H VAL A 20 4.037 -5.739 9.603 1.00 0.00 H new ATOM 0 HA VAL A 20 4.396 -3.711 7.456 1.00 0.00 H new ATOM 0 HB VAL A 20 4.015 -3.169 10.386 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.132 -0.784 9.659 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.635 -1.662 9.287 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.460 -1.320 7.994 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.962 -1.928 9.675 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.203 -2.510 8.010 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.841 -3.667 9.313 1.00 0.00 H new ATOM 286 N LEU A 21 6.854 -3.802 8.033 1.00 0.00 N ATOM 287 CA LEU A 21 8.283 -4.034 8.180 1.00 0.00 C ATOM 288 C LEU A 21 8.922 -2.663 8.362 1.00 0.00 C ATOM 289 O LEU A 21 9.080 -1.893 7.414 1.00 0.00 O ATOM 290 CB LEU A 21 8.788 -4.832 6.966 1.00 0.00 C ATOM 291 CG LEU A 21 10.312 -5.060 6.959 1.00 0.00 C ATOM 292 CD1 LEU A 21 10.794 -5.934 8.114 1.00 0.00 C ATOM 293 CD2 LEU A 21 10.733 -5.700 5.629 1.00 0.00 C ATOM 0 H LEU A 21 6.624 -3.175 7.262 1.00 0.00 H new ATOM 0 HA LEU A 21 8.546 -4.641 9.046 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.286 -5.799 6.945 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.505 -4.306 6.054 1.00 0.00 H new ATOM 0 HG LEU A 21 10.776 -4.081 7.082 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.875 -6.056 8.051 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.536 -5.460 9.061 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.315 -6.911 8.055 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.811 -5.860 5.627 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.224 -6.656 5.508 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.463 -5.039 4.806 1.00 0.00 H new ATOM 305 N ALA A 22 9.195 -2.310 9.612 1.00 0.00 N ATOM 306 CA ALA A 22 9.830 -1.059 9.948 1.00 0.00 C ATOM 307 C ALA A 22 11.330 -1.176 9.705 1.00 0.00 C ATOM 308 O ALA A 22 11.914 -2.241 9.920 1.00 0.00 O ATOM 309 CB ALA A 22 9.560 -0.720 11.409 1.00 0.00 C ATOM 0 H ALA A 22 8.977 -2.893 10.420 1.00 0.00 H new ATOM 0 HA ALA A 22 9.425 -0.263 9.323 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.042 0.226 11.658 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.485 -0.633 11.570 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.960 -1.509 12.046 1.00 0.00 H new ATOM 315 N ASP A 23 11.944 -0.055 9.338 1.00 0.00 N ATOM 316 CA ASP A 23 13.354 0.093 9.009 1.00 0.00 C ATOM 317 C ASP A 23 13.900 1.243 9.846 1.00 0.00 C ATOM 318 O ASP A 23 13.734 2.423 9.523 1.00 0.00 O ATOM 319 CB ASP A 23 13.543 0.326 7.505 1.00 0.00 C ATOM 320 CG ASP A 23 14.998 0.701 7.171 1.00 0.00 C ATOM 321 OD1 ASP A 23 15.925 0.031 7.680 1.00 0.00 O ATOM 322 OD2 ASP A 23 15.204 1.635 6.365 1.00 0.00 O ATOM 0 H ASP A 23 11.437 0.827 9.258 1.00 0.00 H new ATOM 0 HA ASP A 23 13.905 -0.818 9.241 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.264 -0.575 6.958 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.876 1.121 7.172 1.00 0.00 H new ATOM 327 N PHE A 24 14.460 0.875 10.993 1.00 0.00 N ATOM 328 CA PHE A 24 15.139 1.763 11.912 1.00 0.00 C ATOM 329 C PHE A 24 16.467 2.103 11.252 1.00 0.00 C ATOM 330 O PHE A 24 17.316 1.224 11.056 1.00 0.00 O ATOM 331 CB PHE A 24 15.298 1.081 13.282 1.00 0.00 C ATOM 332 CG PHE A 24 13.998 1.020 14.070 1.00 0.00 C ATOM 333 CD1 PHE A 24 12.931 0.212 13.628 1.00 0.00 C ATOM 334 CD2 PHE A 24 13.821 1.831 15.209 1.00 0.00 C ATOM 335 CE1 PHE A 24 11.686 0.269 14.275 1.00 0.00 C ATOM 336 CE2 PHE A 24 12.572 1.892 15.850 1.00 0.00 C ATOM 337 CZ PHE A 24 11.497 1.131 15.364 1.00 0.00 C ATOM 0 H PHE A 24 14.449 -0.093 11.316 1.00 0.00 H new ATOM 0 HA PHE A 24 14.582 2.679 12.108 1.00 0.00 H new ATOM 0 HB2 PHE A 24 15.676 0.069 13.136 1.00 0.00 H new ATOM 0 HB3 PHE A 24 16.045 1.619 13.865 1.00 0.00 H new ATOM 0 HD1 PHE A 24 13.071 -0.453 12.789 1.00 0.00 H new ATOM 0 HD2 PHE A 24 14.650 2.409 15.591 1.00 0.00 H new ATOM 0 HE1 PHE A 24 10.872 -0.353 13.933 1.00 0.00 H new ATOM 0 HE2 PHE A 24 12.439 2.524 16.716 1.00 0.00 H new ATOM 0 HZ PHE A 24 10.525 1.210 15.829 1.00 0.00 H new ATOM 347 N TRP A 25 16.608 3.371 10.868 1.00 0.00 N ATOM 348 CA TRP A 25 17.721 3.883 10.088 1.00 0.00 C ATOM 349 C TRP A 25 17.962 5.338 10.498 1.00 0.00 C ATOM 350 O TRP A 25 17.307 5.837 11.410 1.00 0.00 O ATOM 351 CB TRP A 25 17.432 3.685 8.579 1.00 0.00 C ATOM 352 CG TRP A 25 17.307 4.906 7.712 1.00 0.00 C ATOM 353 CD1 TRP A 25 18.247 5.360 6.852 1.00 0.00 C ATOM 354 CD2 TRP A 25 16.260 5.926 7.716 1.00 0.00 C ATOM 355 NE1 TRP A 25 17.812 6.533 6.270 1.00 0.00 N ATOM 356 CE2 TRP A 25 16.641 6.976 6.832 1.00 0.00 C ATOM 357 CE3 TRP A 25 15.058 6.103 8.428 1.00 0.00 C ATOM 358 CZ2 TRP A 25 15.896 8.154 6.687 1.00 0.00 C ATOM 359 CZ3 TRP A 25 14.293 7.279 8.289 1.00 0.00 C ATOM 360 CH2 TRP A 25 14.724 8.314 7.441 1.00 0.00 C ATOM 0 H TRP A 25 15.924 4.090 11.102 1.00 0.00 H new ATOM 0 HA TRP A 25 18.644 3.337 10.284 1.00 0.00 H new ATOM 0 HB2 TRP A 25 18.228 3.064 8.167 1.00 0.00 H new ATOM 0 HB3 TRP A 25 16.506 3.117 8.489 1.00 0.00 H new ATOM 0 HD1 TRP A 25 19.193 4.878 6.652 1.00 0.00 H new ATOM 0 HE1 TRP A 25 18.301 7.012 5.514 1.00 0.00 H new ATOM 0 HE3 TRP A 25 14.716 5.324 9.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 16.219 8.927 6.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 13.369 7.386 8.838 1.00 0.00 H new ATOM 0 HH2 TRP A 25 14.155 9.229 7.370 1.00 0.00 H new ATOM 371 N ALA A 26 18.910 6.019 9.858 1.00 0.00 N ATOM 372 CA ALA A 26 19.093 7.458 9.945 1.00 0.00 C ATOM 373 C ALA A 26 19.823 7.872 8.667 1.00 0.00 C ATOM 374 O ALA A 26 20.619 7.080 8.160 1.00 0.00 O ATOM 375 CB ALA A 26 19.933 7.804 11.174 1.00 0.00 C ATOM 0 H ALA A 26 19.590 5.567 9.247 1.00 0.00 H new ATOM 0 HA ALA A 26 18.141 7.979 10.042 1.00 0.00 H new ATOM 0 HB1 ALA A 26 20.065 8.884 11.232 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.426 7.452 12.072 1.00 0.00 H new ATOM 0 HB3 ALA A 26 20.908 7.323 11.096 1.00 0.00 H new ATOM 381 N PRO A 27 19.629 9.082 8.126 1.00 0.00 N ATOM 382 CA PRO A 27 20.278 9.461 6.878 1.00 0.00 C ATOM 383 C PRO A 27 21.799 9.635 6.994 1.00 0.00 C ATOM 384 O PRO A 27 22.468 9.648 5.959 1.00 0.00 O ATOM 385 CB PRO A 27 19.554 10.714 6.392 1.00 0.00 C ATOM 386 CG PRO A 27 18.941 11.309 7.663 1.00 0.00 C ATOM 387 CD PRO A 27 18.684 10.097 8.559 1.00 0.00 C ATOM 0 HA PRO A 27 20.193 8.658 6.146 1.00 0.00 H new ATOM 0 HB2 PRO A 27 20.242 11.413 5.917 1.00 0.00 H new ATOM 0 HB3 PRO A 27 18.788 10.471 5.656 1.00 0.00 H new ATOM 0 HG2 PRO A 27 19.619 12.018 8.138 1.00 0.00 H new ATOM 0 HG3 PRO A 27 18.018 11.847 7.446 1.00 0.00 H new ATOM 0 HD2 PRO A 27 18.832 10.348 9.609 1.00 0.00 H new ATOM 0 HD3 PRO A 27 17.657 9.745 8.457 1.00 0.00 H new ATOM 395 N TRP A 28 22.379 9.702 8.201 1.00 0.00 N ATOM 396 CA TRP A 28 23.835 9.642 8.353 1.00 0.00 C ATOM 397 C TRP A 28 24.390 8.246 8.029 1.00 0.00 C ATOM 398 O TRP A 28 25.588 8.112 7.772 1.00 0.00 O ATOM 399 CB TRP A 28 24.266 10.077 9.763 1.00 0.00 C ATOM 400 CG TRP A 28 23.918 9.159 10.901 1.00 0.00 C ATOM 401 CD1 TRP A 28 22.857 9.304 11.722 1.00 0.00 C ATOM 402 CD2 TRP A 28 24.619 7.966 11.383 1.00 0.00 C ATOM 403 NE1 TRP A 28 22.849 8.303 12.671 1.00 0.00 N ATOM 404 CE2 TRP A 28 23.896 7.428 12.491 1.00 0.00 C ATOM 405 CE3 TRP A 28 25.791 7.277 10.999 1.00 0.00 C ATOM 406 CZ2 TRP A 28 24.294 6.258 13.157 1.00 0.00 C ATOM 407 CZ3 TRP A 28 26.199 6.100 11.657 1.00 0.00 C ATOM 408 CH2 TRP A 28 25.450 5.586 12.730 1.00 0.00 C ATOM 0 H TRP A 28 21.865 9.797 9.077 1.00 0.00 H new ATOM 0 HA TRP A 28 24.257 10.342 7.631 1.00 0.00 H new ATOM 0 HB2 TRP A 28 25.347 10.215 9.758 1.00 0.00 H new ATOM 0 HB3 TRP A 28 23.822 11.051 9.967 1.00 0.00 H new ATOM 0 HD1 TRP A 28 22.120 10.090 11.647 1.00 0.00 H new ATOM 0 HE1 TRP A 28 22.154 8.221 13.413 1.00 0.00 H new ATOM 0 HE3 TRP A 28 26.387 7.661 10.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 23.718 5.879 13.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 27.094 5.589 11.335 1.00 0.00 H new ATOM 0 HH2 TRP A 28 25.763 4.678 13.224 1.00 0.00 H new ATOM 419 N CYS A 29 23.541 7.211 8.074 1.00 0.00 N ATOM 420 CA CYS A 29 23.923 5.812 7.967 1.00 0.00 C ATOM 421 C CYS A 29 24.637 5.536 6.638 1.00 0.00 C ATOM 422 O CYS A 29 24.294 6.121 5.608 1.00 0.00 O ATOM 423 CB CYS A 29 22.655 4.959 8.087 1.00 0.00 C ATOM 424 SG CYS A 29 22.908 3.179 8.265 1.00 0.00 S ATOM 0 H CYS A 29 22.536 7.338 8.190 1.00 0.00 H new ATOM 0 HA CYS A 29 24.621 5.560 8.766 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.084 5.312 8.946 1.00 0.00 H new ATOM 0 HB3 CYS A 29 22.041 5.131 7.203 1.00 0.00 H new ATOM 429 N GLY A 30 25.568 4.583 6.649 1.00 0.00 N ATOM 430 CA GLY A 30 26.201 4.035 5.454 1.00 0.00 C ATOM 431 C GLY A 30 25.529 2.730 5.016 1.00 0.00 C ATOM 432 O GLY A 30 24.956 2.696 3.926 1.00 0.00 O ATOM 0 H GLY A 30 25.910 4.161 7.512 1.00 0.00 H new ATOM 0 HA2 GLY A 30 26.147 4.763 4.645 1.00 0.00 H new ATOM 0 HA3 GLY A 30 27.258 3.854 5.650 1.00 0.00 H new ATOM 436 N PRO A 31 25.508 1.663 5.841 1.00 0.00 N ATOM 437 CA PRO A 31 25.010 0.357 5.409 1.00 0.00 C ATOM 438 C PRO A 31 23.507 0.359 5.109 1.00 0.00 C ATOM 439 O PRO A 31 23.054 -0.408 4.260 1.00 0.00 O ATOM 440 CB PRO A 31 25.394 -0.633 6.515 1.00 0.00 C ATOM 441 CG PRO A 31 25.626 0.237 7.750 1.00 0.00 C ATOM 442 CD PRO A 31 26.083 1.576 7.176 1.00 0.00 C ATOM 0 HA PRO A 31 25.461 0.070 4.459 1.00 0.00 H new ATOM 0 HB2 PRO A 31 24.602 -1.362 6.687 1.00 0.00 H new ATOM 0 HB3 PRO A 31 26.291 -1.193 6.251 1.00 0.00 H new ATOM 0 HG2 PRO A 31 24.715 0.345 8.339 1.00 0.00 H new ATOM 0 HG3 PRO A 31 26.381 -0.195 8.407 1.00 0.00 H new ATOM 0 HD2 PRO A 31 25.745 2.403 7.800 1.00 0.00 H new ATOM 0 HD3 PRO A 31 27.171 1.631 7.136 1.00 0.00 H new ATOM 450 N CYS A 32 22.733 1.260 5.725 1.00 0.00 N ATOM 451 CA CYS A 32 21.313 1.426 5.421 1.00 0.00 C ATOM 452 C CYS A 32 21.098 1.763 3.940 1.00 0.00 C ATOM 453 O CYS A 32 20.119 1.325 3.338 1.00 0.00 O ATOM 454 CB CYS A 32 20.691 2.527 6.289 1.00 0.00 C ATOM 455 SG CYS A 32 21.017 2.460 8.075 1.00 0.00 S ATOM 0 H CYS A 32 23.076 1.893 6.448 1.00 0.00 H new ATOM 0 HA CYS A 32 20.823 0.478 5.641 1.00 0.00 H new ATOM 0 HB2 CYS A 32 21.043 3.489 5.917 1.00 0.00 H new ATOM 0 HB3 CYS A 32 19.611 2.504 6.142 1.00 0.00 H new ATOM 460 N LYS A 33 22.023 2.509 3.325 1.00 0.00 N ATOM 461 CA LYS A 33 21.920 2.899 1.924 1.00 0.00 C ATOM 462 C LYS A 33 22.073 1.686 1.002 1.00 0.00 C ATOM 463 O LYS A 33 21.589 1.734 -0.127 1.00 0.00 O ATOM 464 CB LYS A 33 22.960 3.986 1.583 1.00 0.00 C ATOM 465 CG LYS A 33 23.054 5.152 2.588 1.00 0.00 C ATOM 466 CD LYS A 33 21.764 5.978 2.752 1.00 0.00 C ATOM 467 CE LYS A 33 21.846 6.968 3.931 1.00 0.00 C ATOM 468 NZ LYS A 33 22.996 7.900 3.831 1.00 0.00 N ATOM 0 H LYS A 33 22.862 2.857 3.789 1.00 0.00 H new ATOM 0 HA LYS A 33 20.926 3.317 1.762 1.00 0.00 H new ATOM 0 HB2 LYS A 33 23.940 3.515 1.506 1.00 0.00 H new ATOM 0 HB3 LYS A 33 22.725 4.394 0.600 1.00 0.00 H new ATOM 0 HG2 LYS A 33 23.336 4.751 3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 33 23.857 5.819 2.273 1.00 0.00 H new ATOM 0 HD2 LYS A 33 21.569 6.529 1.832 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.921 5.304 2.905 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.922 7.545 3.978 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.920 6.408 4.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 22.815 8.739 4.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.859 7.424 4.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.122 8.191 2.840 1.00 0.00 H new ATOM 482 N MET A 34 22.712 0.601 1.461 1.00 0.00 N ATOM 483 CA MET A 34 22.831 -0.632 0.694 1.00 0.00 C ATOM 484 C MET A 34 21.481 -1.341 0.617 1.00 0.00 C ATOM 485 O MET A 34 21.101 -1.814 -0.452 1.00 0.00 O ATOM 486 CB MET A 34 23.871 -1.585 1.306 1.00 0.00 C ATOM 487 CG MET A 34 25.253 -0.951 1.504 1.00 0.00 C ATOM 488 SD MET A 34 26.567 -2.102 2.013 1.00 0.00 S ATOM 489 CE MET A 34 25.790 -2.955 3.417 1.00 0.00 C ATOM 0 H MET A 34 23.159 0.561 2.377 1.00 0.00 H new ATOM 0 HA MET A 34 23.163 -0.359 -0.308 1.00 0.00 H new ATOM 0 HB2 MET A 34 23.503 -1.939 2.269 1.00 0.00 H new ATOM 0 HB3 MET A 34 23.972 -2.459 0.663 1.00 0.00 H new ATOM 0 HG2 MET A 34 25.552 -0.472 0.572 1.00 0.00 H new ATOM 0 HG3 MET A 34 25.170 -0.164 2.254 1.00 0.00 H new ATOM 0 HE1 MET A 34 26.559 -3.274 4.120 1.00 0.00 H new ATOM 0 HE2 MET A 34 25.099 -2.277 3.918 1.00 0.00 H new ATOM 0 HE3 MET A 34 25.245 -3.827 3.056 1.00 0.00 H new ATOM 499 N ILE A 35 20.755 -1.424 1.739 1.00 0.00 N ATOM 500 CA ILE A 35 19.485 -2.143 1.808 1.00 0.00 C ATOM 501 C ILE A 35 18.318 -1.277 1.308 1.00 0.00 C ATOM 502 O ILE A 35 17.323 -1.834 0.863 1.00 0.00 O ATOM 503 CB ILE A 35 19.271 -2.769 3.211 1.00 0.00 C ATOM 504 CG1 ILE A 35 18.104 -3.784 3.201 1.00 0.00 C ATOM 505 CG2 ILE A 35 19.107 -1.703 4.305 1.00 0.00 C ATOM 506 CD1 ILE A 35 17.925 -4.567 4.506 1.00 0.00 C ATOM 0 H ILE A 35 21.034 -0.994 2.621 1.00 0.00 H new ATOM 0 HA ILE A 35 19.521 -2.987 1.119 1.00 0.00 H new ATOM 0 HB ILE A 35 20.177 -3.322 3.460 1.00 0.00 H new ATOM 0 HG12 ILE A 35 17.179 -3.251 2.983 1.00 0.00 H new ATOM 0 HG13 ILE A 35 18.263 -4.492 2.387 1.00 0.00 H new ATOM 0 HG21 ILE A 35 18.960 -2.190 5.269 1.00 0.00 H new ATOM 0 HG22 ILE A 35 20.002 -1.082 4.345 1.00 0.00 H new ATOM 0 HG23 ILE A 35 18.243 -1.079 4.078 1.00 0.00 H new ATOM 0 HD11 ILE A 35 17.084 -5.254 4.406 1.00 0.00 H new ATOM 0 HD12 ILE A 35 18.832 -5.133 4.718 1.00 0.00 H new ATOM 0 HD13 ILE A 35 17.731 -3.872 5.323 1.00 0.00 H new ATOM 518 N ALA A 36 18.418 0.058 1.312 1.00 0.00 N ATOM 519 CA ALA A 36 17.360 0.950 0.829 1.00 0.00 C ATOM 520 C ALA A 36 16.799 0.574 -0.564 1.00 0.00 C ATOM 521 O ALA A 36 15.582 0.394 -0.671 1.00 0.00 O ATOM 522 CB ALA A 36 17.835 2.408 0.892 1.00 0.00 C ATOM 0 H ALA A 36 19.242 0.552 1.653 1.00 0.00 H new ATOM 0 HA ALA A 36 16.511 0.825 1.501 1.00 0.00 H new ATOM 0 HB1 ALA A 36 17.043 3.065 0.531 1.00 0.00 H new ATOM 0 HB2 ALA A 36 18.080 2.667 1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.720 2.530 0.267 1.00 0.00 H new ATOM 528 N PRO A 37 17.612 0.380 -1.625 1.00 0.00 N ATOM 529 CA PRO A 37 17.079 -0.038 -2.919 1.00 0.00 C ATOM 530 C PRO A 37 16.493 -1.452 -2.868 1.00 0.00 C ATOM 531 O PRO A 37 15.538 -1.744 -3.584 1.00 0.00 O ATOM 532 CB PRO A 37 18.238 0.075 -3.914 1.00 0.00 C ATOM 533 CG PRO A 37 19.481 -0.048 -3.035 1.00 0.00 C ATOM 534 CD PRO A 37 19.043 0.620 -1.733 1.00 0.00 C ATOM 0 HA PRO A 37 16.246 0.597 -3.223 1.00 0.00 H new ATOM 0 HB2 PRO A 37 18.199 -0.713 -4.666 1.00 0.00 H new ATOM 0 HB3 PRO A 37 18.217 1.025 -4.447 1.00 0.00 H new ATOM 0 HG2 PRO A 37 19.765 -1.089 -2.880 1.00 0.00 H new ATOM 0 HG3 PRO A 37 20.341 0.455 -3.478 1.00 0.00 H new ATOM 0 HD2 PRO A 37 19.575 0.200 -0.880 1.00 0.00 H new ATOM 0 HD3 PRO A 37 19.260 1.688 -1.749 1.00 0.00 H new ATOM 542 N VAL A 38 17.017 -2.323 -2.004 1.00 0.00 N ATOM 543 CA VAL A 38 16.467 -3.653 -1.802 1.00 0.00 C ATOM 544 C VAL A 38 15.076 -3.538 -1.169 1.00 0.00 C ATOM 545 O VAL A 38 14.176 -4.256 -1.590 1.00 0.00 O ATOM 546 CB VAL A 38 17.419 -4.539 -0.971 1.00 0.00 C ATOM 547 CG1 VAL A 38 16.987 -6.006 -1.045 1.00 0.00 C ATOM 548 CG2 VAL A 38 18.875 -4.463 -1.455 1.00 0.00 C ATOM 0 H VAL A 38 17.834 -2.121 -1.428 1.00 0.00 H new ATOM 0 HA VAL A 38 16.363 -4.148 -2.768 1.00 0.00 H new ATOM 0 HB VAL A 38 17.364 -4.160 0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 38 17.669 -6.616 -0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.975 -6.108 -0.652 1.00 0.00 H new ATOM 0 HG13 VAL A 38 17.008 -6.340 -2.082 1.00 0.00 H new ATOM 0 HG21 VAL A 38 19.499 -5.106 -0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 38 18.932 -4.794 -2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.229 -3.435 -1.383 1.00 0.00 H new ATOM 558 N LEU A 39 14.860 -2.626 -0.212 1.00 0.00 N ATOM 559 CA LEU A 39 13.545 -2.370 0.368 1.00 0.00 C ATOM 560 C LEU A 39 12.594 -1.812 -0.684 1.00 0.00 C ATOM 561 O LEU A 39 11.425 -2.175 -0.674 1.00 0.00 O ATOM 562 CB LEU A 39 13.628 -1.406 1.565 1.00 0.00 C ATOM 563 CG LEU A 39 14.268 -2.056 2.803 1.00 0.00 C ATOM 564 CD1 LEU A 39 14.732 -0.983 3.791 1.00 0.00 C ATOM 565 CD2 LEU A 39 13.309 -3.018 3.518 1.00 0.00 C ATOM 0 H LEU A 39 15.600 -2.044 0.180 1.00 0.00 H new ATOM 0 HA LEU A 39 13.159 -3.323 0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 39 14.207 -0.527 1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 39 12.626 -1.059 1.818 1.00 0.00 H new ATOM 0 HG LEU A 39 15.123 -2.632 2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 39 15.182 -1.460 4.661 1.00 0.00 H new ATOM 0 HD12 LEU A 39 15.467 -0.338 3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.877 -0.385 4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.808 -3.451 4.385 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.423 -2.473 3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.015 -3.814 2.834 1.00 0.00 H new ATOM 577 N GLU A 40 13.066 -0.968 -1.603 1.00 0.00 N ATOM 578 CA GLU A 40 12.237 -0.518 -2.720 1.00 0.00 C ATOM 579 C GLU A 40 11.836 -1.695 -3.619 1.00 0.00 C ATOM 580 O GLU A 40 10.675 -1.816 -4.017 1.00 0.00 O ATOM 581 CB GLU A 40 12.930 0.595 -3.524 1.00 0.00 C ATOM 582 CG GLU A 40 12.998 1.915 -2.744 1.00 0.00 C ATOM 583 CD GLU A 40 13.652 3.032 -3.576 1.00 0.00 C ATOM 584 OE1 GLU A 40 12.950 3.685 -4.383 1.00 0.00 O ATOM 585 OE2 GLU A 40 14.867 3.289 -3.420 1.00 0.00 O ATOM 0 H GLU A 40 14.011 -0.585 -1.596 1.00 0.00 H new ATOM 0 HA GLU A 40 11.323 -0.094 -2.304 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.939 0.277 -3.786 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.393 0.754 -4.459 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.992 2.219 -2.453 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.564 1.766 -1.825 1.00 0.00 H new ATOM 592 N GLU A 41 12.771 -2.583 -3.944 1.00 0.00 N ATOM 593 CA GLU A 41 12.481 -3.765 -4.750 1.00 0.00 C ATOM 594 C GLU A 41 11.508 -4.692 -4.011 1.00 0.00 C ATOM 595 O GLU A 41 10.578 -5.220 -4.615 1.00 0.00 O ATOM 596 CB GLU A 41 13.782 -4.486 -5.137 1.00 0.00 C ATOM 597 CG GLU A 41 14.534 -3.724 -6.239 1.00 0.00 C ATOM 598 CD GLU A 41 15.868 -4.398 -6.599 1.00 0.00 C ATOM 599 OE1 GLU A 41 15.845 -5.514 -7.164 1.00 0.00 O ATOM 600 OE2 GLU A 41 16.947 -3.810 -6.357 1.00 0.00 O ATOM 0 H GLU A 41 13.747 -2.504 -3.658 1.00 0.00 H new ATOM 0 HA GLU A 41 11.995 -3.453 -5.675 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.421 -4.585 -4.259 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.553 -5.495 -5.480 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.908 -3.662 -7.129 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.722 -2.702 -5.910 1.00 0.00 H new ATOM 607 N LEU A 42 11.682 -4.842 -2.699 1.00 0.00 N ATOM 608 CA LEU A 42 10.826 -5.634 -1.823 1.00 0.00 C ATOM 609 C LEU A 42 9.419 -5.032 -1.797 1.00 0.00 C ATOM 610 O LEU A 42 8.434 -5.755 -1.931 1.00 0.00 O ATOM 611 CB LEU A 42 11.488 -5.682 -0.430 1.00 0.00 C ATOM 612 CG LEU A 42 10.967 -6.695 0.600 1.00 0.00 C ATOM 613 CD1 LEU A 42 9.627 -6.331 1.229 1.00 0.00 C ATOM 614 CD2 LEU A 42 10.904 -8.114 0.040 1.00 0.00 C ATOM 0 H LEU A 42 12.453 -4.398 -2.200 1.00 0.00 H new ATOM 0 HA LEU A 42 10.717 -6.657 -2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.551 -5.876 -0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 42 11.403 -4.689 0.011 1.00 0.00 H new ATOM 0 HG LEU A 42 11.709 -6.655 1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.338 -7.103 1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.715 -5.375 1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.868 -6.255 0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.529 -8.792 0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.236 -8.136 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.902 -8.429 -0.267 1.00 0.00 H new ATOM 626 N ASP A 43 9.310 -3.706 -1.702 1.00 0.00 N ATOM 627 CA ASP A 43 8.038 -2.992 -1.740 1.00 0.00 C ATOM 628 C ASP A 43 7.296 -3.273 -3.038 1.00 0.00 C ATOM 629 O ASP A 43 6.098 -3.547 -3.034 1.00 0.00 O ATOM 630 CB ASP A 43 8.249 -1.480 -1.632 1.00 0.00 C ATOM 631 CG ASP A 43 6.896 -0.775 -1.486 1.00 0.00 C ATOM 632 OD1 ASP A 43 6.210 -1.017 -0.469 1.00 0.00 O ATOM 633 OD2 ASP A 43 6.543 0.037 -2.371 1.00 0.00 O ATOM 0 H ASP A 43 10.117 -3.091 -1.595 1.00 0.00 H new ATOM 0 HA ASP A 43 7.452 -3.344 -0.891 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.882 -1.252 -0.774 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.767 -1.112 -2.517 1.00 0.00 H new ATOM 638 N GLN A 44 8.025 -3.262 -4.151 1.00 0.00 N ATOM 639 CA GLN A 44 7.465 -3.508 -5.473 1.00 0.00 C ATOM 640 C GLN A 44 7.045 -4.978 -5.675 1.00 0.00 C ATOM 641 O GLN A 44 6.362 -5.284 -6.654 1.00 0.00 O ATOM 642 CB GLN A 44 8.458 -3.013 -6.535 1.00 0.00 C ATOM 643 CG GLN A 44 8.561 -1.477 -6.505 1.00 0.00 C ATOM 644 CD GLN A 44 9.739 -0.988 -7.345 1.00 0.00 C ATOM 645 OE1 GLN A 44 9.607 -0.675 -8.526 1.00 0.00 O ATOM 646 NE2 GLN A 44 10.918 -0.924 -6.749 1.00 0.00 N ATOM 0 H GLN A 44 9.029 -3.080 -4.159 1.00 0.00 H new ATOM 0 HA GLN A 44 6.538 -2.944 -5.577 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.439 -3.452 -6.356 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.137 -3.342 -7.523 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.636 -1.040 -6.881 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.678 -1.137 -5.476 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.008 -1.188 -5.768 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.737 -0.611 -7.270 1.00 0.00 H new ATOM 655 N GLU A 45 7.409 -5.881 -4.760 1.00 0.00 N ATOM 656 CA GLU A 45 7.101 -7.306 -4.800 1.00 0.00 C ATOM 657 C GLU A 45 6.021 -7.675 -3.783 1.00 0.00 C ATOM 658 O GLU A 45 5.281 -8.633 -4.014 1.00 0.00 O ATOM 659 CB GLU A 45 8.386 -8.101 -4.519 1.00 0.00 C ATOM 660 CG GLU A 45 9.363 -8.081 -5.703 1.00 0.00 C ATOM 661 CD GLU A 45 8.885 -8.951 -6.880 1.00 0.00 C ATOM 662 OE1 GLU A 45 9.082 -10.187 -6.849 1.00 0.00 O ATOM 663 OE2 GLU A 45 8.329 -8.411 -7.862 1.00 0.00 O ATOM 0 H GLU A 45 7.951 -5.623 -3.935 1.00 0.00 H new ATOM 0 HA GLU A 45 6.716 -7.553 -5.789 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.879 -7.688 -3.639 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.126 -9.133 -4.284 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.493 -7.054 -6.044 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.339 -8.432 -5.369 1.00 0.00 H new ATOM 670 N MET A 46 5.904 -6.925 -2.682 1.00 0.00 N ATOM 671 CA MET A 46 5.062 -7.299 -1.545 1.00 0.00 C ATOM 672 C MET A 46 4.064 -6.217 -1.145 1.00 0.00 C ATOM 673 O MET A 46 3.255 -6.461 -0.254 1.00 0.00 O ATOM 674 CB MET A 46 5.929 -7.683 -0.338 1.00 0.00 C ATOM 675 CG MET A 46 6.983 -8.744 -0.679 1.00 0.00 C ATOM 676 SD MET A 46 7.478 -9.756 0.731 1.00 0.00 S ATOM 677 CE MET A 46 6.143 -10.981 0.671 1.00 0.00 C ATOM 0 H MET A 46 6.393 -6.039 -2.556 1.00 0.00 H new ATOM 0 HA MET A 46 4.477 -8.159 -1.872 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.427 -6.792 0.044 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.288 -8.057 0.460 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.591 -9.394 -1.461 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.864 -8.249 -1.087 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.276 -11.704 1.476 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.183 -10.479 0.789 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.167 -11.498 -0.288 1.00 0.00 H new ATOM 687 N GLY A 47 4.064 -5.049 -1.791 1.00 0.00 N ATOM 688 CA GLY A 47 3.212 -3.908 -1.445 1.00 0.00 C ATOM 689 C GLY A 47 1.702 -4.168 -1.506 1.00 0.00 C ATOM 690 O GLY A 47 0.914 -3.314 -1.104 1.00 0.00 O ATOM 0 H GLY A 47 4.672 -4.865 -2.589 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.466 -3.580 -0.437 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.448 -3.083 -2.118 1.00 0.00 H new ATOM 694 N ASP A 48 1.274 -5.330 -2.000 1.00 0.00 N ATOM 695 CA ASP A 48 -0.116 -5.774 -1.952 1.00 0.00 C ATOM 696 C ASP A 48 -0.509 -6.254 -0.547 1.00 0.00 C ATOM 697 O ASP A 48 -1.674 -6.152 -0.161 1.00 0.00 O ATOM 698 CB ASP A 48 -0.341 -6.897 -2.968 1.00 0.00 C ATOM 699 CG ASP A 48 -1.811 -7.346 -2.984 1.00 0.00 C ATOM 700 OD1 ASP A 48 -2.675 -6.585 -3.478 1.00 0.00 O ATOM 701 OD2 ASP A 48 -2.098 -8.479 -2.540 1.00 0.00 O ATOM 0 H ASP A 48 1.896 -6.000 -2.452 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.747 -4.921 -2.203 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.052 -6.555 -3.962 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.298 -7.745 -2.724 1.00 0.00 H new ATOM 706 N LYS A 49 0.464 -6.745 0.233 1.00 0.00 N ATOM 707 CA LYS A 49 0.275 -7.330 1.563 1.00 0.00 C ATOM 708 C LYS A 49 1.066 -6.590 2.641 1.00 0.00 C ATOM 709 O LYS A 49 0.728 -6.714 3.819 1.00 0.00 O ATOM 710 CB LYS A 49 0.742 -8.801 1.554 1.00 0.00 C ATOM 711 CG LYS A 49 0.015 -9.726 0.567 1.00 0.00 C ATOM 712 CD LYS A 49 -1.501 -9.788 0.815 1.00 0.00 C ATOM 713 CE LYS A 49 -2.187 -10.965 0.103 1.00 0.00 C ATOM 714 NZ LYS A 49 -1.972 -10.965 -1.364 1.00 0.00 N ATOM 0 H LYS A 49 1.441 -6.744 -0.059 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.787 -7.252 1.796 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.808 -8.823 1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.623 -9.207 2.559 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.198 -9.380 -0.450 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.432 -10.730 0.642 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.684 -9.865 1.887 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.955 -8.855 0.480 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.813 -11.901 0.519 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.257 -10.931 0.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.603 -11.663 -1.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.179 -10.020 -1.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.983 -11.212 -1.570 1.00 0.00 H new ATOM 728 N LEU A 50 2.103 -5.838 2.266 1.00 0.00 N ATOM 729 CA LEU A 50 3.083 -5.282 3.186 1.00 0.00 C ATOM 730 C LEU A 50 3.111 -3.757 3.121 1.00 0.00 C ATOM 731 O LEU A 50 2.861 -3.163 2.071 1.00 0.00 O ATOM 732 CB LEU A 50 4.456 -5.855 2.786 1.00 0.00 C ATOM 733 CG LEU A 50 5.636 -5.470 3.696 1.00 0.00 C ATOM 734 CD1 LEU A 50 5.466 -6.038 5.107 1.00 0.00 C ATOM 735 CD2 LEU A 50 6.929 -5.986 3.074 1.00 0.00 C ATOM 0 H LEU A 50 2.284 -5.597 1.292 1.00 0.00 H new ATOM 0 HA LEU A 50 2.825 -5.550 4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.381 -6.942 2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.683 -5.528 1.771 1.00 0.00 H new ATOM 0 HG LEU A 50 5.670 -4.384 3.783 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.318 -5.746 5.722 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.549 -5.647 5.548 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.410 -7.125 5.057 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.772 -5.718 3.711 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.878 -7.070 2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.063 -5.539 2.089 1.00 0.00 H new ATOM 747 N LYS A 51 3.487 -3.136 4.238 1.00 0.00 N ATOM 748 CA LYS A 51 3.849 -1.727 4.345 1.00 0.00 C ATOM 749 C LYS A 51 5.284 -1.726 4.858 1.00 0.00 C ATOM 750 O LYS A 51 5.619 -2.561 5.702 1.00 0.00 O ATOM 751 CB LYS A 51 2.906 -1.015 5.333 1.00 0.00 C ATOM 752 CG LYS A 51 3.184 0.496 5.437 1.00 0.00 C ATOM 753 CD LYS A 51 2.445 1.160 6.604 1.00 0.00 C ATOM 754 CE LYS A 51 0.926 1.191 6.402 1.00 0.00 C ATOM 755 NZ LYS A 51 0.264 1.856 7.541 1.00 0.00 N ATOM 0 H LYS A 51 3.550 -3.624 5.131 1.00 0.00 H new ATOM 0 HA LYS A 51 3.764 -1.199 3.395 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.874 -1.169 5.019 1.00 0.00 H new ATOM 0 HB3 LYS A 51 3.010 -1.468 6.319 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.256 0.656 5.554 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.890 0.979 4.505 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.674 0.624 7.525 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.812 2.179 6.728 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.687 1.717 5.478 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.547 0.174 6.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.766 1.734 7.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.597 1.433 8.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.494 2.870 7.532 1.00 0.00 H new ATOM 769 N ILE A 52 6.114 -0.792 4.407 1.00 0.00 N ATOM 770 CA ILE A 52 7.461 -0.608 4.940 1.00 0.00 C ATOM 771 C ILE A 52 7.438 0.744 5.649 1.00 0.00 C ATOM 772 O ILE A 52 6.812 1.673 5.141 1.00 0.00 O ATOM 773 CB ILE A 52 8.517 -0.717 3.814 1.00 0.00 C ATOM 774 CG1 ILE A 52 8.433 -2.101 3.123 1.00 0.00 C ATOM 775 CG2 ILE A 52 9.940 -0.446 4.343 1.00 0.00 C ATOM 776 CD1 ILE A 52 9.459 -2.302 2.002 1.00 0.00 C ATOM 0 H ILE A 52 5.873 -0.140 3.661 1.00 0.00 H new ATOM 0 HA ILE A 52 7.749 -1.385 5.648 1.00 0.00 H new ATOM 0 HB ILE A 52 8.296 0.051 3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.573 -2.879 3.873 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.432 -2.230 2.712 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.655 -0.531 3.525 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.987 0.559 4.763 1.00 0.00 H new ATOM 0 HG23 ILE A 52 10.185 -1.174 5.116 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.335 -3.295 1.569 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.307 -1.548 1.230 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.466 -2.207 2.409 1.00 0.00 H new ATOM 788 N VAL A 53 8.086 0.874 6.808 1.00 0.00 N ATOM 789 CA VAL A 53 7.993 2.086 7.629 1.00 0.00 C ATOM 790 C VAL A 53 9.401 2.505 8.055 1.00 0.00 C ATOM 791 O VAL A 53 9.964 1.947 8.996 1.00 0.00 O ATOM 792 CB VAL A 53 7.020 1.859 8.813 1.00 0.00 C ATOM 793 CG1 VAL A 53 6.968 3.068 9.758 1.00 0.00 C ATOM 794 CG2 VAL A 53 5.586 1.615 8.318 1.00 0.00 C ATOM 0 H VAL A 53 8.686 0.150 7.203 1.00 0.00 H new ATOM 0 HA VAL A 53 7.572 2.913 7.057 1.00 0.00 H new ATOM 0 HB VAL A 53 7.402 0.986 9.343 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.273 2.863 10.573 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.961 3.254 10.166 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.632 3.946 9.207 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.928 1.459 9.173 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.245 2.481 7.750 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.567 0.732 7.680 1.00 0.00 H new ATOM 804 N LYS A 54 10.001 3.475 7.363 1.00 0.00 N ATOM 805 CA LYS A 54 11.304 3.997 7.773 1.00 0.00 C ATOM 806 C LYS A 54 11.097 4.868 9.010 1.00 0.00 C ATOM 807 O LYS A 54 10.126 5.629 9.064 1.00 0.00 O ATOM 808 CB LYS A 54 11.979 4.778 6.630 1.00 0.00 C ATOM 809 CG LYS A 54 12.181 3.898 5.383 1.00 0.00 C ATOM 810 CD LYS A 54 13.011 4.569 4.279 1.00 0.00 C ATOM 811 CE LYS A 54 14.431 4.898 4.765 1.00 0.00 C ATOM 812 NZ LYS A 54 15.332 5.308 3.657 1.00 0.00 N ATOM 0 H LYS A 54 9.611 3.910 6.527 1.00 0.00 H new ATOM 0 HA LYS A 54 11.976 3.174 8.016 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.369 5.643 6.370 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.943 5.158 6.968 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.671 2.970 5.680 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.206 3.628 4.978 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.065 3.911 3.412 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.515 5.484 3.954 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.382 5.698 5.504 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.851 4.026 5.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.277 5.519 4.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.402 4.536 2.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.948 6.156 3.193 1.00 0.00 H new ATOM 826 N ILE A 55 12.002 4.800 9.985 1.00 0.00 N ATOM 827 CA ILE A 55 11.965 5.649 11.171 1.00 0.00 C ATOM 828 C ILE A 55 13.400 6.054 11.519 1.00 0.00 C ATOM 829 O ILE A 55 14.302 5.211 11.603 1.00 0.00 O ATOM 830 CB ILE A 55 11.160 4.980 12.314 1.00 0.00 C ATOM 831 CG1 ILE A 55 11.150 5.884 13.568 1.00 0.00 C ATOM 832 CG2 ILE A 55 11.628 3.554 12.661 1.00 0.00 C ATOM 833 CD1 ILE A 55 10.039 5.531 14.565 1.00 0.00 C ATOM 0 H ILE A 55 12.787 4.149 9.972 1.00 0.00 H new ATOM 0 HA ILE A 55 11.418 6.573 10.984 1.00 0.00 H new ATOM 0 HB ILE A 55 10.142 4.867 11.941 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.115 5.808 14.069 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.033 6.922 13.257 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.015 3.156 13.470 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.530 2.915 11.783 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.671 3.580 12.976 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.090 6.204 15.421 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.068 5.634 14.080 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.168 4.503 14.904 1.00 0.00 H new ATOM 845 N ASP A 56 13.599 7.372 11.636 1.00 0.00 N ATOM 846 CA ASP A 56 14.902 8.003 11.818 1.00 0.00 C ATOM 847 C ASP A 56 15.260 7.971 13.298 1.00 0.00 C ATOM 848 O ASP A 56 14.715 8.752 14.083 1.00 0.00 O ATOM 849 CB ASP A 56 14.891 9.448 11.300 1.00 0.00 C ATOM 850 CG ASP A 56 16.241 10.168 11.501 1.00 0.00 C ATOM 851 OD1 ASP A 56 17.216 9.556 11.992 1.00 0.00 O ATOM 852 OD2 ASP A 56 16.320 11.362 11.130 1.00 0.00 O ATOM 0 H ASP A 56 12.833 8.044 11.605 1.00 0.00 H new ATOM 0 HA ASP A 56 15.650 7.455 11.245 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.640 9.447 10.239 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.107 10.006 11.812 1.00 0.00 H new ATOM 857 N VAL A 57 16.129 7.049 13.702 1.00 0.00 N ATOM 858 CA VAL A 57 16.464 6.839 15.103 1.00 0.00 C ATOM 859 C VAL A 57 17.060 8.094 15.743 1.00 0.00 C ATOM 860 O VAL A 57 16.912 8.267 16.951 1.00 0.00 O ATOM 861 CB VAL A 57 17.367 5.600 15.289 1.00 0.00 C ATOM 862 CG1 VAL A 57 16.679 4.347 14.729 1.00 0.00 C ATOM 863 CG2 VAL A 57 18.762 5.728 14.660 1.00 0.00 C ATOM 0 H VAL A 57 16.621 6.425 13.063 1.00 0.00 H new ATOM 0 HA VAL A 57 15.533 6.636 15.633 1.00 0.00 H new ATOM 0 HB VAL A 57 17.517 5.516 16.365 1.00 0.00 H new ATOM 0 HG11 VAL A 57 17.328 3.483 14.868 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.739 4.183 15.255 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.481 4.485 13.666 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.327 4.813 14.839 1.00 0.00 H new ATOM 0 HG22 VAL A 57 18.664 5.890 13.587 1.00 0.00 H new ATOM 0 HG23 VAL A 57 19.287 6.572 15.107 1.00 0.00 H new ATOM 873 N ASP A 58 17.683 8.994 14.972 1.00 0.00 N ATOM 874 CA ASP A 58 18.334 10.190 15.514 1.00 0.00 C ATOM 875 C ASP A 58 17.328 11.155 16.158 1.00 0.00 C ATOM 876 O ASP A 58 17.706 11.980 16.989 1.00 0.00 O ATOM 877 CB ASP A 58 19.131 10.910 14.421 1.00 0.00 C ATOM 878 CG ASP A 58 19.934 12.091 14.993 1.00 0.00 C ATOM 879 OD1 ASP A 58 20.880 11.860 15.780 1.00 0.00 O ATOM 880 OD2 ASP A 58 19.663 13.255 14.619 1.00 0.00 O ATOM 0 H ASP A 58 17.749 8.913 13.957 1.00 0.00 H new ATOM 0 HA ASP A 58 19.017 9.857 16.296 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.810 10.206 13.941 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.450 11.271 13.651 1.00 0.00 H new ATOM 885 N GLU A 59 16.039 11.012 15.829 1.00 0.00 N ATOM 886 CA GLU A 59 14.943 11.806 16.383 1.00 0.00 C ATOM 887 C GLU A 59 13.917 10.910 17.097 1.00 0.00 C ATOM 888 O GLU A 59 12.885 11.400 17.558 1.00 0.00 O ATOM 889 CB GLU A 59 14.278 12.616 15.257 1.00 0.00 C ATOM 890 CG GLU A 59 15.221 13.651 14.625 1.00 0.00 C ATOM 891 CD GLU A 59 14.454 14.642 13.729 1.00 0.00 C ATOM 892 OE1 GLU A 59 14.078 14.290 12.588 1.00 0.00 O ATOM 893 OE2 GLU A 59 14.229 15.799 14.153 1.00 0.00 O ATOM 0 H GLU A 59 15.723 10.320 15.150 1.00 0.00 H new ATOM 0 HA GLU A 59 15.345 12.494 17.126 1.00 0.00 H new ATOM 0 HB2 GLU A 59 13.927 11.933 14.484 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.400 13.127 15.654 1.00 0.00 H new ATOM 0 HG2 GLU A 59 15.742 14.198 15.411 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.981 13.139 14.035 1.00 0.00 H new ATOM 900 N ASN A 60 14.180 9.601 17.194 1.00 0.00 N ATOM 901 CA ASN A 60 13.225 8.592 17.665 1.00 0.00 C ATOM 902 C ASN A 60 13.943 7.588 18.566 1.00 0.00 C ATOM 903 O ASN A 60 13.716 6.377 18.493 1.00 0.00 O ATOM 904 CB ASN A 60 12.497 7.928 16.483 1.00 0.00 C ATOM 905 CG ASN A 60 11.616 8.923 15.736 1.00 0.00 C ATOM 906 OD1 ASN A 60 10.542 9.291 16.197 1.00 0.00 O ATOM 907 ND2 ASN A 60 12.047 9.395 14.579 1.00 0.00 N ATOM 0 H ASN A 60 15.085 9.205 16.941 1.00 0.00 H new ATOM 0 HA ASN A 60 12.450 9.071 18.263 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.229 7.503 15.797 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.886 7.103 16.849 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.484 10.071 14.063 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.942 9.083 14.203 1.00 0.00 H new ATOM 914 N GLN A 61 14.841 8.102 19.415 1.00 0.00 N ATOM 915 CA GLN A 61 15.596 7.316 20.384 1.00 0.00 C ATOM 916 C GLN A 61 14.663 6.519 21.300 1.00 0.00 C ATOM 917 O GLN A 61 15.017 5.416 21.708 1.00 0.00 O ATOM 918 CB GLN A 61 16.498 8.238 21.224 1.00 0.00 C ATOM 919 CG GLN A 61 17.666 8.841 20.429 1.00 0.00 C ATOM 920 CD GLN A 61 18.722 7.792 20.076 1.00 0.00 C ATOM 921 OE1 GLN A 61 19.546 7.408 20.903 1.00 0.00 O ATOM 922 NE2 GLN A 61 18.717 7.299 18.850 1.00 0.00 N ATOM 0 H GLN A 61 15.064 9.097 19.444 1.00 0.00 H new ATOM 0 HA GLN A 61 16.216 6.608 19.834 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.894 9.046 21.637 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.896 7.674 22.068 1.00 0.00 H new ATOM 0 HG2 GLN A 61 17.286 9.294 19.514 1.00 0.00 H new ATOM 0 HG3 GLN A 61 18.128 9.638 21.012 1.00 0.00 H new ATOM 0 HE21 GLN A 61 18.028 7.625 18.172 1.00 0.00 H new ATOM 0 HE22 GLN A 61 19.402 6.592 18.582 1.00 0.00 H new ATOM 931 N GLU A 62 13.474 7.046 21.610 1.00 0.00 N ATOM 932 CA GLU A 62 12.514 6.368 22.471 1.00 0.00 C ATOM 933 C GLU A 62 12.006 5.088 21.801 1.00 0.00 C ATOM 934 O GLU A 62 12.000 4.031 22.432 1.00 0.00 O ATOM 935 CB GLU A 62 11.349 7.307 22.821 1.00 0.00 C ATOM 936 CG GLU A 62 11.805 8.484 23.697 1.00 0.00 C ATOM 937 CD GLU A 62 10.624 9.381 24.108 1.00 0.00 C ATOM 938 OE1 GLU A 62 9.968 9.101 25.138 1.00 0.00 O ATOM 939 OE2 GLU A 62 10.355 10.395 23.424 1.00 0.00 O ATOM 0 H GLU A 62 13.155 7.953 21.269 1.00 0.00 H new ATOM 0 HA GLU A 62 13.013 6.089 23.399 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.903 7.689 21.903 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.574 6.745 23.342 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.300 8.102 24.590 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.541 9.078 23.154 1.00 0.00 H new ATOM 946 N THR A 63 11.634 5.145 20.520 1.00 0.00 N ATOM 947 CA THR A 63 11.122 3.992 19.793 1.00 0.00 C ATOM 948 C THR A 63 12.250 2.976 19.579 1.00 0.00 C ATOM 949 O THR A 63 12.035 1.780 19.717 1.00 0.00 O ATOM 950 CB THR A 63 10.538 4.439 18.444 1.00 0.00 C ATOM 951 OG1 THR A 63 10.094 5.780 18.474 1.00 0.00 O ATOM 952 CG2 THR A 63 9.391 3.555 17.949 1.00 0.00 C ATOM 0 H THR A 63 11.681 5.997 19.961 1.00 0.00 H new ATOM 0 HA THR A 63 10.329 3.521 20.374 1.00 0.00 H new ATOM 0 HB THR A 63 11.368 4.341 17.745 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.336 5.860 19.090 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.029 3.931 16.992 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.747 2.532 17.826 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.579 3.572 18.676 1.00 0.00 H new ATOM 960 N ALA A 64 13.470 3.431 19.285 1.00 0.00 N ATOM 961 CA ALA A 64 14.637 2.560 19.206 1.00 0.00 C ATOM 962 C ALA A 64 14.858 1.846 20.545 1.00 0.00 C ATOM 963 O ALA A 64 14.975 0.619 20.584 1.00 0.00 O ATOM 964 CB ALA A 64 15.857 3.395 18.788 1.00 0.00 C ATOM 0 H ALA A 64 13.673 4.413 19.096 1.00 0.00 H new ATOM 0 HA ALA A 64 14.479 1.786 18.455 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.735 2.751 18.726 1.00 0.00 H new ATOM 0 HB2 ALA A 64 15.671 3.849 17.815 1.00 0.00 H new ATOM 0 HB3 ALA A 64 16.032 4.178 19.526 1.00 0.00 H new ATOM 970 N GLY A 65 14.833 2.592 21.651 1.00 0.00 N ATOM 971 CA GLY A 65 14.968 2.058 22.998 1.00 0.00 C ATOM 972 C GLY A 65 13.858 1.065 23.344 1.00 0.00 C ATOM 973 O GLY A 65 14.100 0.124 24.101 1.00 0.00 O ATOM 0 H GLY A 65 14.716 3.605 21.630 1.00 0.00 H new ATOM 0 HA2 GLY A 65 15.936 1.566 23.096 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.954 2.879 23.715 1.00 0.00 H new ATOM 977 N LYS A 66 12.669 1.216 22.747 1.00 0.00 N ATOM 978 CA LYS A 66 11.512 0.347 22.957 1.00 0.00 C ATOM 979 C LYS A 66 11.844 -1.118 22.665 1.00 0.00 C ATOM 980 O LYS A 66 11.273 -1.999 23.310 1.00 0.00 O ATOM 981 CB LYS A 66 10.339 0.845 22.098 1.00 0.00 C ATOM 982 CG LYS A 66 8.991 0.304 22.595 1.00 0.00 C ATOM 983 CD LYS A 66 7.838 1.057 21.918 1.00 0.00 C ATOM 984 CE LYS A 66 6.464 0.432 22.206 1.00 0.00 C ATOM 985 NZ LYS A 66 6.055 0.549 23.629 1.00 0.00 N ATOM 0 H LYS A 66 12.484 1.970 22.085 1.00 0.00 H new ATOM 0 HA LYS A 66 11.224 0.393 24.007 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.319 1.935 22.109 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.493 0.540 21.063 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.916 -0.762 22.379 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.922 0.415 23.677 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.839 2.093 22.257 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.005 1.074 20.841 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.714 0.914 21.578 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.485 -0.621 21.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.121 0.110 23.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.752 0.066 24.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.005 1.553 23.894 1.00 0.00 H new ATOM 999 N TYR A 67 12.791 -1.379 21.755 1.00 0.00 N ATOM 1000 CA TYR A 67 13.212 -2.735 21.387 1.00 0.00 C ATOM 1001 C TYR A 67 14.720 -2.939 21.594 1.00 0.00 C ATOM 1002 O TYR A 67 15.273 -3.943 21.142 1.00 0.00 O ATOM 1003 CB TYR A 67 12.792 -3.047 19.940 1.00 0.00 C ATOM 1004 CG TYR A 67 11.517 -2.365 19.486 1.00 0.00 C ATOM 1005 CD1 TYR A 67 10.261 -2.817 19.931 1.00 0.00 C ATOM 1006 CD2 TYR A 67 11.609 -1.201 18.704 1.00 0.00 C ATOM 1007 CE1 TYR A 67 9.097 -2.105 19.587 1.00 0.00 C ATOM 1008 CE2 TYR A 67 10.455 -0.481 18.371 1.00 0.00 C ATOM 1009 CZ TYR A 67 9.188 -0.932 18.805 1.00 0.00 C ATOM 1010 OH TYR A 67 8.055 -0.239 18.504 1.00 0.00 O ATOM 0 H TYR A 67 13.291 -0.647 21.249 1.00 0.00 H new ATOM 0 HA TYR A 67 12.708 -3.438 22.050 1.00 0.00 H new ATOM 0 HB2 TYR A 67 13.601 -2.755 19.271 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.667 -4.125 19.838 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.190 -3.709 20.536 1.00 0.00 H new ATOM 0 HD2 TYR A 67 12.574 -0.860 18.358 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.132 -2.456 19.922 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.533 0.421 17.781 1.00 0.00 H new ATOM 0 HH TYR A 67 8.036 -0.043 17.544 1.00 0.00 H new ATOM 1020 N GLY A 68 15.399 -1.996 22.259 1.00 0.00 N ATOM 1021 CA GLY A 68 16.842 -2.034 22.466 1.00 0.00 C ATOM 1022 C GLY A 68 17.628 -1.954 21.154 1.00 0.00 C ATOM 1023 O GLY A 68 18.700 -2.552 21.050 1.00 0.00 O ATOM 0 H GLY A 68 14.951 -1.178 22.671 1.00 0.00 H new ATOM 0 HA2 GLY A 68 17.135 -1.206 23.111 1.00 0.00 H new ATOM 0 HA3 GLY A 68 17.106 -2.954 22.988 1.00 0.00 H new ATOM 1027 N VAL A 69 17.103 -1.256 20.141 1.00 0.00 N ATOM 1028 CA VAL A 69 17.831 -0.967 18.910 1.00 0.00 C ATOM 1029 C VAL A 69 18.996 -0.041 19.287 1.00 0.00 C ATOM 1030 O VAL A 69 18.774 1.041 19.835 1.00 0.00 O ATOM 1031 CB VAL A 69 16.889 -0.337 17.855 1.00 0.00 C ATOM 1032 CG1 VAL A 69 17.620 -0.070 16.533 1.00 0.00 C ATOM 1033 CG2 VAL A 69 15.658 -1.216 17.574 1.00 0.00 C ATOM 0 H VAL A 69 16.157 -0.876 20.156 1.00 0.00 H new ATOM 0 HA VAL A 69 18.221 -1.876 18.453 1.00 0.00 H new ATOM 0 HB VAL A 69 16.554 0.608 18.282 1.00 0.00 H new ATOM 0 HG11 VAL A 69 16.927 0.372 15.817 1.00 0.00 H new ATOM 0 HG12 VAL A 69 18.449 0.616 16.708 1.00 0.00 H new ATOM 0 HG13 VAL A 69 18.004 -1.009 16.134 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.028 -0.732 16.828 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.982 -2.187 17.200 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.091 -1.353 18.495 1.00 0.00 H new ATOM 1043 N MET A 70 20.228 -0.468 18.993 1.00 0.00 N ATOM 1044 CA MET A 70 21.466 0.259 19.304 1.00 0.00 C ATOM 1045 C MET A 70 22.395 0.335 18.079 1.00 0.00 C ATOM 1046 O MET A 70 23.491 0.894 18.169 1.00 0.00 O ATOM 1047 CB MET A 70 22.179 -0.420 20.488 1.00 0.00 C ATOM 1048 CG MET A 70 21.431 -0.289 21.823 1.00 0.00 C ATOM 1049 SD MET A 70 21.210 1.398 22.467 1.00 0.00 S ATOM 1050 CE MET A 70 22.927 1.849 22.849 1.00 0.00 C ATOM 0 H MET A 70 20.398 -1.355 18.518 1.00 0.00 H new ATOM 0 HA MET A 70 21.208 1.282 19.579 1.00 0.00 H new ATOM 0 HB2 MET A 70 22.314 -1.477 20.260 1.00 0.00 H new ATOM 0 HB3 MET A 70 23.174 0.012 20.596 1.00 0.00 H new ATOM 0 HG2 MET A 70 20.446 -0.742 21.708 1.00 0.00 H new ATOM 0 HG3 MET A 70 21.965 -0.873 22.572 1.00 0.00 H new ATOM 0 HE1 MET A 70 22.947 2.824 23.336 1.00 0.00 H new ATOM 0 HE2 MET A 70 23.360 1.102 23.514 1.00 0.00 H new ATOM 0 HE3 MET A 70 23.506 1.892 21.926 1.00 0.00 H new ATOM 1060 N SER A 71 21.954 -0.193 16.935 1.00 0.00 N ATOM 1061 CA SER A 71 22.661 -0.227 15.666 1.00 0.00 C ATOM 1062 C SER A 71 21.622 -0.066 14.554 1.00 0.00 C ATOM 1063 O SER A 71 20.433 -0.308 14.782 1.00 0.00 O ATOM 1064 CB SER A 71 23.407 -1.564 15.513 1.00 0.00 C ATOM 1065 OG SER A 71 24.282 -1.814 16.605 1.00 0.00 O ATOM 0 H SER A 71 21.036 -0.634 16.873 1.00 0.00 H new ATOM 0 HA SER A 71 23.398 0.575 15.615 1.00 0.00 H new ATOM 0 HB2 SER A 71 22.684 -2.376 15.435 1.00 0.00 H new ATOM 0 HB3 SER A 71 23.979 -1.556 14.585 1.00 0.00 H new ATOM 0 HG SER A 71 24.735 -2.672 16.471 1.00 0.00 H new ATOM 1071 N ILE A 72 22.060 0.313 13.353 1.00 0.00 N ATOM 1072 CA ILE A 72 21.221 0.441 12.163 1.00 0.00 C ATOM 1073 C ILE A 72 22.036 -0.032 10.938 1.00 0.00 C ATOM 1074 O ILE A 72 23.268 0.040 10.991 1.00 0.00 O ATOM 1075 CB ILE A 72 20.688 1.888 12.008 1.00 0.00 C ATOM 1076 CG1 ILE A 72 21.809 2.955 11.969 1.00 0.00 C ATOM 1077 CG2 ILE A 72 19.660 2.219 13.109 1.00 0.00 C ATOM 1078 CD1 ILE A 72 21.305 4.353 11.589 1.00 0.00 C ATOM 0 H ILE A 72 23.037 0.546 13.177 1.00 0.00 H new ATOM 0 HA ILE A 72 20.337 -0.190 12.255 1.00 0.00 H new ATOM 0 HB ILE A 72 20.194 1.925 11.037 1.00 0.00 H new ATOM 0 HG12 ILE A 72 22.289 3.003 12.946 1.00 0.00 H new ATOM 0 HG13 ILE A 72 22.571 2.645 11.254 1.00 0.00 H new ATOM 0 HG21 ILE A 72 19.302 3.240 12.977 1.00 0.00 H new ATOM 0 HG22 ILE A 72 18.820 1.528 13.042 1.00 0.00 H new ATOM 0 HG23 ILE A 72 20.131 2.123 14.087 1.00 0.00 H new ATOM 0 HD11 ILE A 72 22.142 5.052 11.581 1.00 0.00 H new ATOM 0 HD12 ILE A 72 20.851 4.319 10.599 1.00 0.00 H new ATOM 0 HD13 ILE A 72 20.564 4.683 12.317 1.00 0.00 H new ATOM 1090 N PRO A 73 21.410 -0.507 9.841 1.00 0.00 N ATOM 1091 CA PRO A 73 19.974 -0.699 9.675 1.00 0.00 C ATOM 1092 C PRO A 73 19.476 -1.826 10.578 1.00 0.00 C ATOM 1093 O PRO A 73 20.130 -2.866 10.706 1.00 0.00 O ATOM 1094 CB PRO A 73 19.770 -1.054 8.197 1.00 0.00 C ATOM 1095 CG PRO A 73 21.090 -1.712 7.799 1.00 0.00 C ATOM 1096 CD PRO A 73 22.116 -0.975 8.656 1.00 0.00 C ATOM 0 HA PRO A 73 19.413 0.194 9.951 1.00 0.00 H new ATOM 0 HB2 PRO A 73 18.927 -1.732 8.060 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.567 -0.167 7.596 1.00 0.00 H new ATOM 0 HG2 PRO A 73 21.086 -2.782 8.006 1.00 0.00 H new ATOM 0 HG3 PRO A 73 21.294 -1.594 6.735 1.00 0.00 H new ATOM 0 HD2 PRO A 73 22.938 -1.636 8.931 1.00 0.00 H new ATOM 0 HD3 PRO A 73 22.549 -0.139 8.108 1.00 0.00 H new ATOM 1104 N THR A 74 18.302 -1.626 11.167 1.00 0.00 N ATOM 1105 CA THR A 74 17.634 -2.637 11.974 1.00 0.00 C ATOM 1106 C THR A 74 16.184 -2.708 11.504 1.00 0.00 C ATOM 1107 O THR A 74 15.586 -1.699 11.131 1.00 0.00 O ATOM 1108 CB THR A 74 17.822 -2.307 13.466 1.00 0.00 C ATOM 1109 OG1 THR A 74 19.185 -2.463 13.797 1.00 0.00 O ATOM 1110 CG2 THR A 74 17.018 -3.227 14.388 1.00 0.00 C ATOM 0 H THR A 74 17.784 -0.750 11.096 1.00 0.00 H new ATOM 0 HA THR A 74 18.060 -3.633 11.851 1.00 0.00 H new ATOM 0 HB THR A 74 17.471 -1.286 13.612 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.499 -1.667 14.274 1.00 0.00 H new ATOM 0 HG21 THR A 74 17.192 -2.944 15.426 1.00 0.00 H new ATOM 0 HG22 THR A 74 15.956 -3.133 14.160 1.00 0.00 H new ATOM 0 HG23 THR A 74 17.332 -4.260 14.236 1.00 0.00 H new ATOM 1118 N LEU A 75 15.626 -3.915 11.482 1.00 0.00 N ATOM 1119 CA LEU A 75 14.343 -4.220 10.879 1.00 0.00 C ATOM 1120 C LEU A 75 13.468 -4.793 11.981 1.00 0.00 C ATOM 1121 O LEU A 75 13.872 -5.739 12.660 1.00 0.00 O ATOM 1122 CB LEU A 75 14.521 -5.236 9.737 1.00 0.00 C ATOM 1123 CG LEU A 75 15.224 -4.691 8.477 1.00 0.00 C ATOM 1124 CD1 LEU A 75 15.559 -5.851 7.533 1.00 0.00 C ATOM 1125 CD2 LEU A 75 14.365 -3.672 7.718 1.00 0.00 C ATOM 0 H LEU A 75 16.074 -4.731 11.899 1.00 0.00 H new ATOM 0 HA LEU A 75 13.886 -3.329 10.449 1.00 0.00 H new ATOM 0 HB2 LEU A 75 15.091 -6.085 10.113 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.539 -5.613 9.451 1.00 0.00 H new ATOM 0 HG LEU A 75 16.130 -4.185 8.811 1.00 0.00 H new ATOM 0 HD11 LEU A 75 16.056 -5.464 6.643 1.00 0.00 H new ATOM 0 HD12 LEU A 75 16.219 -6.554 8.041 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.640 -6.361 7.243 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.908 -3.321 6.840 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.434 -4.143 7.404 1.00 0.00 H new ATOM 0 HD23 LEU A 75 14.143 -2.827 8.369 1.00 0.00 H new ATOM 1137 N LEU A 76 12.275 -4.232 12.160 1.00 0.00 N ATOM 1138 CA LEU A 76 11.315 -4.687 13.163 1.00 0.00 C ATOM 1139 C LEU A 76 10.112 -5.058 12.332 1.00 0.00 C ATOM 1140 O LEU A 76 9.638 -4.240 11.547 1.00 0.00 O ATOM 1141 CB LEU A 76 10.953 -3.572 14.171 1.00 0.00 C ATOM 1142 CG LEU A 76 11.864 -3.379 15.401 1.00 0.00 C ATOM 1143 CD1 LEU A 76 11.728 -4.550 16.379 1.00 0.00 C ATOM 1144 CD2 LEU A 76 13.332 -3.188 15.020 1.00 0.00 C ATOM 0 H LEU A 76 11.944 -3.441 11.608 1.00 0.00 H new ATOM 0 HA LEU A 76 11.704 -5.504 13.771 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.923 -2.628 13.627 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.942 -3.764 14.532 1.00 0.00 H new ATOM 0 HG LEU A 76 11.528 -2.464 15.889 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.382 -4.386 17.236 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.695 -4.622 16.719 1.00 0.00 H new ATOM 0 HD13 LEU A 76 12.011 -5.476 15.879 1.00 0.00 H new ATOM 0 HD21 LEU A 76 13.928 -3.057 15.923 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.684 -4.065 14.477 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.432 -2.306 14.388 1.00 0.00 H new ATOM 1156 N VAL A 77 9.633 -6.282 12.461 1.00 0.00 N ATOM 1157 CA VAL A 77 8.504 -6.760 11.700 1.00 0.00 C ATOM 1158 C VAL A 77 7.374 -6.792 12.708 1.00 0.00 C ATOM 1159 O VAL A 77 7.520 -7.368 13.792 1.00 0.00 O ATOM 1160 CB VAL A 77 8.793 -8.131 11.063 1.00 0.00 C ATOM 1161 CG1 VAL A 77 7.983 -8.252 9.762 1.00 0.00 C ATOM 1162 CG2 VAL A 77 10.279 -8.374 10.740 1.00 0.00 C ATOM 0 H VAL A 77 10.022 -6.973 13.102 1.00 0.00 H new ATOM 0 HA VAL A 77 8.259 -6.125 10.848 1.00 0.00 H new ATOM 0 HB VAL A 77 8.506 -8.881 11.800 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.179 -9.220 9.300 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.920 -8.165 9.986 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.275 -7.457 9.076 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.398 -9.362 10.294 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.628 -7.615 10.039 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.865 -8.317 11.657 1.00 0.00 H new ATOM 1172 N LEU A 78 6.271 -6.131 12.378 1.00 0.00 N ATOM 1173 CA LEU A 78 5.125 -5.969 13.247 1.00 0.00 C ATOM 1174 C LEU A 78 3.922 -6.547 12.525 1.00 0.00 C ATOM 1175 O LEU A 78 3.879 -6.572 11.293 1.00 0.00 O ATOM 1176 CB LEU A 78 4.896 -4.491 13.624 1.00 0.00 C ATOM 1177 CG LEU A 78 6.055 -3.875 14.438 1.00 0.00 C ATOM 1178 CD1 LEU A 78 7.041 -3.109 13.548 1.00 0.00 C ATOM 1179 CD2 LEU A 78 5.544 -2.949 15.546 1.00 0.00 C ATOM 0 H LEU A 78 6.152 -5.682 11.470 1.00 0.00 H new ATOM 0 HA LEU A 78 5.294 -6.495 14.187 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.754 -3.910 12.713 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.975 -4.410 14.201 1.00 0.00 H new ATOM 0 HG LEU A 78 6.580 -4.714 14.895 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.839 -2.693 14.163 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.468 -3.788 12.810 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.518 -2.301 13.037 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.391 -2.537 16.095 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.967 -2.136 15.104 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.910 -3.514 16.229 1.00 0.00 H new ATOM 1191 N LYS A 79 2.941 -7.004 13.292 1.00 0.00 N ATOM 1192 CA LYS A 79 1.703 -7.552 12.769 1.00 0.00 C ATOM 1193 C LYS A 79 0.583 -6.959 13.602 1.00 0.00 C ATOM 1194 O LYS A 79 0.531 -7.190 14.808 1.00 0.00 O ATOM 1195 CB LYS A 79 1.748 -9.087 12.828 1.00 0.00 C ATOM 1196 CG LYS A 79 0.572 -9.718 12.071 1.00 0.00 C ATOM 1197 CD LYS A 79 0.543 -11.252 12.150 1.00 0.00 C ATOM 1198 CE LYS A 79 0.233 -11.744 13.572 1.00 0.00 C ATOM 1199 NZ LYS A 79 0.072 -13.219 13.637 1.00 0.00 N ATOM 0 H LYS A 79 2.987 -7.003 14.311 1.00 0.00 H new ATOM 0 HA LYS A 79 1.544 -7.298 11.721 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.687 -9.440 12.402 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.728 -9.412 13.868 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.361 -9.324 12.473 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.621 -9.417 11.024 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.208 -11.637 11.460 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.505 -11.651 11.829 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.036 -11.439 14.243 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.679 -11.265 13.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.136 -13.503 14.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.712 -13.510 13.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.951 -13.678 13.323 1.00 0.00 H new ATOM 1213 N ASP A 80 -0.288 -6.184 12.957 1.00 0.00 N ATOM 1214 CA ASP A 80 -1.477 -5.577 13.560 1.00 0.00 C ATOM 1215 C ASP A 80 -1.163 -4.845 14.879 1.00 0.00 C ATOM 1216 O ASP A 80 -1.920 -4.904 15.850 1.00 0.00 O ATOM 1217 CB ASP A 80 -2.600 -6.623 13.671 1.00 0.00 C ATOM 1218 CG ASP A 80 -3.942 -6.008 14.111 1.00 0.00 C ATOM 1219 OD1 ASP A 80 -4.343 -4.955 13.566 1.00 0.00 O ATOM 1220 OD2 ASP A 80 -4.639 -6.612 14.959 1.00 0.00 O ATOM 0 H ASP A 80 -0.183 -5.953 11.969 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.841 -4.788 12.902 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.729 -7.116 12.707 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.306 -7.392 14.385 1.00 0.00 H new ATOM 1225 N GLY A 81 -0.008 -4.171 14.922 1.00 0.00 N ATOM 1226 CA GLY A 81 0.347 -3.236 15.985 1.00 0.00 C ATOM 1227 C GLY A 81 1.360 -3.756 17.005 1.00 0.00 C ATOM 1228 O GLY A 81 1.748 -2.983 17.882 1.00 0.00 O ATOM 0 H GLY A 81 0.714 -4.264 14.207 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.748 -2.330 15.530 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.563 -2.952 16.514 1.00 0.00 H new ATOM 1232 N GLU A 82 1.815 -5.013 16.920 1.00 0.00 N ATOM 1233 CA GLU A 82 2.789 -5.576 17.856 1.00 0.00 C ATOM 1234 C GLU A 82 3.971 -6.163 17.089 1.00 0.00 C ATOM 1235 O GLU A 82 3.793 -6.661 15.977 1.00 0.00 O ATOM 1236 CB GLU A 82 2.097 -6.605 18.765 1.00 0.00 C ATOM 1237 CG GLU A 82 1.778 -7.965 18.119 1.00 0.00 C ATOM 1238 CD GLU A 82 1.051 -8.893 19.110 1.00 0.00 C ATOM 1239 OE1 GLU A 82 1.721 -9.644 19.855 1.00 0.00 O ATOM 1240 OE2 GLU A 82 -0.201 -8.895 19.149 1.00 0.00 O ATOM 0 H GLU A 82 1.515 -5.667 16.197 1.00 0.00 H new ATOM 0 HA GLU A 82 3.188 -4.793 18.501 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.731 -6.777 19.635 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.166 -6.171 19.130 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.158 -7.815 17.235 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.701 -8.437 17.784 1.00 0.00 H new ATOM 1247 N VAL A 83 5.176 -6.103 17.665 1.00 0.00 N ATOM 1248 CA VAL A 83 6.357 -6.739 17.088 1.00 0.00 C ATOM 1249 C VAL A 83 6.107 -8.241 17.048 1.00 0.00 C ATOM 1250 O VAL A 83 5.710 -8.852 18.045 1.00 0.00 O ATOM 1251 CB VAL A 83 7.636 -6.373 17.868 1.00 0.00 C ATOM 1252 CG1 VAL A 83 8.886 -7.016 17.244 1.00 0.00 C ATOM 1253 CG2 VAL A 83 7.859 -4.853 17.891 1.00 0.00 C ATOM 0 H VAL A 83 5.356 -5.613 18.541 1.00 0.00 H new ATOM 0 HA VAL A 83 6.523 -6.376 16.074 1.00 0.00 H new ATOM 0 HB VAL A 83 7.491 -6.750 18.880 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.767 -6.735 17.822 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.779 -8.101 17.251 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.000 -6.669 16.217 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.768 -4.627 18.448 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.958 -4.484 16.870 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.009 -4.368 18.371 1.00 0.00 H new ATOM 1263 N VAL A 84 6.376 -8.820 15.885 1.00 0.00 N ATOM 1264 CA VAL A 84 6.256 -10.234 15.616 1.00 0.00 C ATOM 1265 C VAL A 84 7.627 -10.815 15.213 1.00 0.00 C ATOM 1266 O VAL A 84 7.824 -12.016 15.408 1.00 0.00 O ATOM 1267 CB VAL A 84 5.093 -10.430 14.615 1.00 0.00 C ATOM 1268 CG1 VAL A 84 5.424 -9.950 13.194 1.00 0.00 C ATOM 1269 CG2 VAL A 84 4.567 -11.868 14.614 1.00 0.00 C ATOM 0 H VAL A 84 6.696 -8.289 15.075 1.00 0.00 H new ATOM 0 HA VAL A 84 5.987 -10.815 16.498 1.00 0.00 H new ATOM 0 HB VAL A 84 4.290 -9.786 14.974 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.565 -10.117 12.544 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.661 -8.886 13.215 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.281 -10.505 12.813 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.752 -11.957 13.896 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.371 -12.549 14.336 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.203 -12.123 15.609 1.00 0.00 H new ATOM 1279 N GLU A 85 8.605 -10.009 14.752 1.00 0.00 N ATOM 1280 CA GLU A 85 9.976 -10.487 14.507 1.00 0.00 C ATOM 1281 C GLU A 85 10.957 -9.301 14.477 1.00 0.00 C ATOM 1282 O GLU A 85 10.533 -8.149 14.381 1.00 0.00 O ATOM 1283 CB GLU A 85 9.992 -11.306 13.195 1.00 0.00 C ATOM 1284 CG GLU A 85 11.317 -11.932 12.741 1.00 0.00 C ATOM 1285 CD GLU A 85 11.920 -12.916 13.752 1.00 0.00 C ATOM 1286 OE1 GLU A 85 12.363 -12.477 14.838 1.00 0.00 O ATOM 1287 OE2 GLU A 85 11.980 -14.128 13.439 1.00 0.00 O ATOM 0 H GLU A 85 8.467 -9.020 14.542 1.00 0.00 H new ATOM 0 HA GLU A 85 10.303 -11.140 15.316 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.263 -12.110 13.297 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.640 -10.656 12.394 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.157 -12.450 11.796 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.037 -11.136 12.550 1.00 0.00 H new ATOM 1294 N THR A 86 12.263 -9.574 14.536 1.00 0.00 N ATOM 1295 CA THR A 86 13.344 -8.593 14.443 1.00 0.00 C ATOM 1296 C THR A 86 14.447 -9.155 13.525 1.00 0.00 C ATOM 1297 O THR A 86 14.617 -10.373 13.422 1.00 0.00 O ATOM 1298 CB THR A 86 13.886 -8.299 15.860 1.00 0.00 C ATOM 1299 OG1 THR A 86 12.837 -8.025 16.773 1.00 0.00 O ATOM 1300 CG2 THR A 86 14.852 -7.108 15.906 1.00 0.00 C ATOM 0 H THR A 86 12.609 -10.526 14.655 1.00 0.00 H new ATOM 0 HA THR A 86 12.982 -7.657 14.017 1.00 0.00 H new ATOM 0 HB THR A 86 14.422 -9.205 16.142 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.214 -7.845 17.660 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.195 -6.957 16.930 1.00 0.00 H new ATOM 0 HG22 THR A 86 15.709 -7.309 15.263 1.00 0.00 H new ATOM 0 HG23 THR A 86 14.340 -6.211 15.558 1.00 0.00 H new ATOM 1308 N SER A 87 15.198 -8.287 12.845 1.00 0.00 N ATOM 1309 CA SER A 87 16.416 -8.607 12.099 1.00 0.00 C ATOM 1310 C SER A 87 17.357 -7.393 12.153 1.00 0.00 C ATOM 1311 O SER A 87 16.905 -6.271 12.379 1.00 0.00 O ATOM 1312 CB SER A 87 16.053 -8.979 10.655 1.00 0.00 C ATOM 1313 OG SER A 87 15.403 -10.238 10.617 1.00 0.00 O ATOM 0 H SER A 87 14.963 -7.296 12.797 1.00 0.00 H new ATOM 0 HA SER A 87 16.926 -9.463 12.541 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.404 -8.215 10.228 1.00 0.00 H new ATOM 0 HB3 SER A 87 16.955 -9.010 10.043 1.00 0.00 H new ATOM 0 HG SER A 87 15.175 -10.516 11.529 1.00 0.00 H new ATOM 1319 N VAL A 88 18.661 -7.595 11.956 1.00 0.00 N ATOM 1320 CA VAL A 88 19.674 -6.537 12.015 1.00 0.00 C ATOM 1321 C VAL A 88 20.591 -6.696 10.796 1.00 0.00 C ATOM 1322 O VAL A 88 20.866 -7.823 10.370 1.00 0.00 O ATOM 1323 CB VAL A 88 20.449 -6.618 13.353 1.00 0.00 C ATOM 1324 CG1 VAL A 88 21.439 -5.454 13.522 1.00 0.00 C ATOM 1325 CG2 VAL A 88 19.520 -6.625 14.580 1.00 0.00 C ATOM 0 H VAL A 88 19.051 -8.514 11.747 1.00 0.00 H new ATOM 0 HA VAL A 88 19.215 -5.549 11.982 1.00 0.00 H new ATOM 0 HB VAL A 88 20.989 -7.563 13.302 1.00 0.00 H new ATOM 0 HG11 VAL A 88 21.959 -5.554 14.475 1.00 0.00 H new ATOM 0 HG12 VAL A 88 22.165 -5.473 12.709 1.00 0.00 H new ATOM 0 HG13 VAL A 88 20.896 -4.509 13.502 1.00 0.00 H new ATOM 0 HG21 VAL A 88 20.118 -6.683 15.489 1.00 0.00 H new ATOM 0 HG22 VAL A 88 18.928 -5.710 14.593 1.00 0.00 H new ATOM 0 HG23 VAL A 88 18.855 -7.487 14.528 1.00 0.00 H new ATOM 1335 N GLY A 89 21.088 -5.581 10.256 1.00 0.00 N ATOM 1336 CA GLY A 89 22.036 -5.573 9.152 1.00 0.00 C ATOM 1337 C GLY A 89 21.355 -5.794 7.801 1.00 0.00 C ATOM 1338 O GLY A 89 20.125 -5.846 7.699 1.00 0.00 O ATOM 0 H GLY A 89 20.836 -4.648 10.582 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.566 -4.621 9.138 1.00 0.00 H new ATOM 0 HA3 GLY A 89 22.783 -6.351 9.312 1.00 0.00 H new ATOM 1342 N PHE A 90 22.172 -5.885 6.749 1.00 0.00 N ATOM 1343 CA PHE A 90 21.709 -6.121 5.386 1.00 0.00 C ATOM 1344 C PHE A 90 21.007 -7.483 5.283 1.00 0.00 C ATOM 1345 O PHE A 90 21.440 -8.458 5.902 1.00 0.00 O ATOM 1346 CB PHE A 90 22.908 -6.048 4.425 1.00 0.00 C ATOM 1347 CG PHE A 90 22.543 -6.220 2.961 1.00 0.00 C ATOM 1348 CD1 PHE A 90 22.214 -5.097 2.178 1.00 0.00 C ATOM 1349 CD2 PHE A 90 22.517 -7.505 2.381 1.00 0.00 C ATOM 1350 CE1 PHE A 90 21.855 -5.258 0.828 1.00 0.00 C ATOM 1351 CE2 PHE A 90 22.149 -7.666 1.033 1.00 0.00 C ATOM 1352 CZ PHE A 90 21.818 -6.542 0.257 1.00 0.00 C ATOM 0 H PHE A 90 23.185 -5.795 6.824 1.00 0.00 H new ATOM 0 HA PHE A 90 20.985 -5.354 5.111 1.00 0.00 H new ATOM 0 HB2 PHE A 90 23.404 -5.086 4.554 1.00 0.00 H new ATOM 0 HB3 PHE A 90 23.628 -6.818 4.701 1.00 0.00 H new ATOM 0 HD1 PHE A 90 22.237 -4.110 2.615 1.00 0.00 H new ATOM 0 HD2 PHE A 90 22.781 -8.368 2.974 1.00 0.00 H new ATOM 0 HE1 PHE A 90 21.607 -4.394 0.229 1.00 0.00 H new ATOM 0 HE2 PHE A 90 22.121 -8.653 0.595 1.00 0.00 H new ATOM 0 HZ PHE A 90 21.535 -6.665 -0.778 1.00 0.00 H new ATOM 1362 N LYS A 91 19.973 -7.564 4.438 1.00 0.00 N ATOM 1363 CA LYS A 91 19.314 -8.798 4.016 1.00 0.00 C ATOM 1364 C LYS A 91 18.925 -8.606 2.547 1.00 0.00 C ATOM 1365 O LYS A 91 18.394 -7.541 2.221 1.00 0.00 O ATOM 1366 CB LYS A 91 18.068 -9.095 4.870 1.00 0.00 C ATOM 1367 CG LYS A 91 18.431 -9.957 6.087 1.00 0.00 C ATOM 1368 CD LYS A 91 17.191 -10.470 6.824 1.00 0.00 C ATOM 1369 CE LYS A 91 17.636 -11.428 7.942 1.00 0.00 C ATOM 1370 NZ LYS A 91 16.499 -12.026 8.686 1.00 0.00 N ATOM 0 H LYS A 91 19.558 -6.735 4.014 1.00 0.00 H new ATOM 0 HA LYS A 91 19.984 -9.648 4.142 1.00 0.00 H new ATOM 0 HB2 LYS A 91 17.619 -8.159 5.203 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.321 -9.609 4.265 1.00 0.00 H new ATOM 0 HG2 LYS A 91 19.035 -10.804 5.763 1.00 0.00 H new ATOM 0 HG3 LYS A 91 19.044 -9.373 6.774 1.00 0.00 H new ATOM 0 HD2 LYS A 91 16.630 -9.635 7.244 1.00 0.00 H new ATOM 0 HD3 LYS A 91 16.526 -10.984 6.130 1.00 0.00 H new ATOM 0 HE2 LYS A 91 18.239 -12.226 7.509 1.00 0.00 H new ATOM 0 HE3 LYS A 91 18.276 -10.889 8.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 16.826 -12.868 9.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 16.122 -11.331 9.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 15.751 -12.299 8.017 1.00 0.00 H new ATOM 1384 N PRO A 92 19.174 -9.589 1.663 1.00 0.00 N ATOM 1385 CA PRO A 92 18.722 -9.525 0.280 1.00 0.00 C ATOM 1386 C PRO A 92 17.197 -9.658 0.223 1.00 0.00 C ATOM 1387 O PRO A 92 16.572 -10.185 1.145 1.00 0.00 O ATOM 1388 CB PRO A 92 19.434 -10.679 -0.434 1.00 0.00 C ATOM 1389 CG PRO A 92 19.650 -11.707 0.675 1.00 0.00 C ATOM 1390 CD PRO A 92 19.881 -10.839 1.912 1.00 0.00 C ATOM 0 HA PRO A 92 18.959 -8.575 -0.200 1.00 0.00 H new ATOM 0 HB2 PRO A 92 18.828 -11.084 -1.244 1.00 0.00 H new ATOM 0 HB3 PRO A 92 20.379 -10.358 -0.873 1.00 0.00 H new ATOM 0 HG2 PRO A 92 18.784 -12.358 0.795 1.00 0.00 H new ATOM 0 HG3 PRO A 92 20.506 -12.350 0.468 1.00 0.00 H new ATOM 0 HD2 PRO A 92 19.503 -11.329 2.809 1.00 0.00 H new ATOM 0 HD3 PRO A 92 20.945 -10.661 2.071 1.00 0.00 H new ATOM 1398 N LYS A 93 16.587 -9.235 -0.887 1.00 0.00 N ATOM 1399 CA LYS A 93 15.129 -9.238 -1.055 1.00 0.00 C ATOM 1400 C LYS A 93 14.505 -10.621 -0.921 1.00 0.00 C ATOM 1401 O LYS A 93 13.345 -10.720 -0.529 1.00 0.00 O ATOM 1402 CB LYS A 93 14.725 -8.577 -2.382 1.00 0.00 C ATOM 1403 CG LYS A 93 15.379 -9.188 -3.633 1.00 0.00 C ATOM 1404 CD LYS A 93 15.121 -8.292 -4.848 1.00 0.00 C ATOM 1405 CE LYS A 93 15.726 -8.941 -6.103 1.00 0.00 C ATOM 1406 NZ LYS A 93 15.363 -8.215 -7.343 1.00 0.00 N ATOM 0 H LYS A 93 17.091 -8.879 -1.699 1.00 0.00 H new ATOM 0 HA LYS A 93 14.730 -8.646 -0.232 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.642 -8.640 -2.488 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.980 -7.518 -2.337 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.452 -9.301 -3.475 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.977 -10.185 -3.814 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.050 -8.144 -4.983 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.561 -7.308 -4.687 1.00 0.00 H new ATOM 0 HE2 LYS A 93 16.811 -8.971 -6.007 1.00 0.00 H new ATOM 0 HE3 LYS A 93 15.384 -9.973 -6.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.780 -8.699 -8.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.328 -8.194 -7.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.726 -7.242 -7.294 1.00 0.00 H new ATOM 1420 N GLU A 94 15.240 -11.681 -1.242 1.00 0.00 N ATOM 1421 CA GLU A 94 14.783 -13.051 -1.032 1.00 0.00 C ATOM 1422 C GLU A 94 14.639 -13.331 0.469 1.00 0.00 C ATOM 1423 O GLU A 94 13.595 -13.808 0.912 1.00 0.00 O ATOM 1424 CB GLU A 94 15.752 -14.047 -1.689 1.00 0.00 C ATOM 1425 CG GLU A 94 15.761 -13.922 -3.220 1.00 0.00 C ATOM 1426 CD GLU A 94 16.673 -14.979 -3.868 1.00 0.00 C ATOM 1427 OE1 GLU A 94 17.882 -14.715 -4.060 1.00 0.00 O ATOM 1428 OE2 GLU A 94 16.188 -16.082 -4.212 1.00 0.00 O ATOM 0 H GLU A 94 16.170 -11.615 -1.655 1.00 0.00 H new ATOM 0 HA GLU A 94 13.807 -13.175 -1.500 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.759 -13.879 -1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 94 15.471 -15.063 -1.411 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.746 -14.033 -3.601 1.00 0.00 H new ATOM 0 HG3 GLU A 94 16.100 -12.925 -3.503 1.00 0.00 H new ATOM 1435 N ALA A 95 15.651 -12.979 1.271 1.00 0.00 N ATOM 1436 CA ALA A 95 15.606 -13.147 2.718 1.00 0.00 C ATOM 1437 C ALA A 95 14.516 -12.265 3.329 1.00 0.00 C ATOM 1438 O ALA A 95 13.829 -12.688 4.257 1.00 0.00 O ATOM 1439 CB ALA A 95 16.972 -12.828 3.338 1.00 0.00 C ATOM 0 H ALA A 95 16.521 -12.570 0.930 1.00 0.00 H new ATOM 0 HA ALA A 95 15.365 -14.187 2.937 1.00 0.00 H new ATOM 0 HB1 ALA A 95 16.920 -12.959 4.419 1.00 0.00 H new ATOM 0 HB2 ALA A 95 17.724 -13.501 2.927 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.243 -11.797 3.110 1.00 0.00 H new ATOM 1445 N LEU A 96 14.332 -11.053 2.801 1.00 0.00 N ATOM 1446 CA LEU A 96 13.277 -10.156 3.251 1.00 0.00 C ATOM 1447 C LEU A 96 11.896 -10.724 2.944 1.00 0.00 C ATOM 1448 O LEU A 96 11.018 -10.661 3.798 1.00 0.00 O ATOM 1449 CB LEU A 96 13.406 -8.768 2.619 1.00 0.00 C ATOM 1450 CG LEU A 96 14.650 -7.957 3.033 1.00 0.00 C ATOM 1451 CD1 LEU A 96 14.641 -6.603 2.315 1.00 0.00 C ATOM 1452 CD2 LEU A 96 14.714 -7.729 4.548 1.00 0.00 C ATOM 0 H LEU A 96 14.910 -10.671 2.053 1.00 0.00 H new ATOM 0 HA LEU A 96 13.390 -10.060 4.331 1.00 0.00 H new ATOM 0 HB2 LEU A 96 13.414 -8.882 1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 96 12.517 -8.190 2.872 1.00 0.00 H new ATOM 0 HG LEU A 96 15.529 -8.534 2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 96 15.521 -6.030 2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.655 -6.763 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.741 -6.052 2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 96 15.607 -7.154 4.792 1.00 0.00 H new ATOM 0 HD22 LEU A 96 13.829 -7.180 4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 96 14.751 -8.691 5.059 1.00 0.00 H new ATOM 1464 N GLN A 97 11.691 -11.304 1.762 1.00 0.00 N ATOM 1465 CA GLN A 97 10.431 -11.961 1.442 1.00 0.00 C ATOM 1466 C GLN A 97 10.172 -13.081 2.436 1.00 0.00 C ATOM 1467 O GLN A 97 9.055 -13.206 2.923 1.00 0.00 O ATOM 1468 CB GLN A 97 10.442 -12.535 0.012 1.00 0.00 C ATOM 1469 CG GLN A 97 9.981 -11.522 -1.036 1.00 0.00 C ATOM 1470 CD GLN A 97 10.448 -11.895 -2.439 1.00 0.00 C ATOM 1471 OE1 GLN A 97 9.739 -12.540 -3.209 1.00 0.00 O ATOM 1472 NE2 GLN A 97 11.657 -11.493 -2.792 1.00 0.00 N ATOM 0 H GLN A 97 12.383 -11.331 1.013 1.00 0.00 H new ATOM 0 HA GLN A 97 9.637 -11.216 1.503 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.450 -12.871 -0.232 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.796 -13.412 -0.028 1.00 0.00 H new ATOM 0 HG2 GLN A 97 8.893 -11.456 -1.022 1.00 0.00 H new ATOM 0 HG3 GLN A 97 10.363 -10.534 -0.778 1.00 0.00 H new ATOM 0 HE21 GLN A 97 12.228 -10.959 -2.137 1.00 0.00 H new ATOM 0 HE22 GLN A 97 12.018 -11.717 -3.719 1.00 0.00 H new ATOM 1481 N GLU A 98 11.192 -13.868 2.771 1.00 0.00 N ATOM 1482 CA GLU A 98 11.037 -14.980 3.702 1.00 0.00 C ATOM 1483 C GLU A 98 10.700 -14.467 5.107 1.00 0.00 C ATOM 1484 O GLU A 98 9.851 -15.040 5.788 1.00 0.00 O ATOM 1485 CB GLU A 98 12.298 -15.861 3.715 1.00 0.00 C ATOM 1486 CG GLU A 98 12.448 -16.722 2.451 1.00 0.00 C ATOM 1487 CD GLU A 98 11.401 -17.849 2.380 1.00 0.00 C ATOM 1488 OE1 GLU A 98 11.629 -18.934 2.964 1.00 0.00 O ATOM 1489 OE2 GLU A 98 10.350 -17.674 1.724 1.00 0.00 O ATOM 0 H GLU A 98 12.139 -13.754 2.409 1.00 0.00 H new ATOM 0 HA GLU A 98 10.205 -15.598 3.364 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.177 -15.225 3.820 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.270 -16.512 4.589 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.355 -16.088 1.570 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.447 -17.156 2.427 1.00 0.00 H new ATOM 1496 N LEU A 99 11.314 -13.356 5.519 1.00 0.00 N ATOM 1497 CA LEU A 99 11.066 -12.688 6.780 1.00 0.00 C ATOM 1498 C LEU A 99 9.606 -12.226 6.860 1.00 0.00 C ATOM 1499 O LEU A 99 8.934 -12.496 7.852 1.00 0.00 O ATOM 1500 CB LEU A 99 12.072 -11.529 6.871 1.00 0.00 C ATOM 1501 CG LEU A 99 11.920 -10.651 8.111 1.00 0.00 C ATOM 1502 CD1 LEU A 99 12.196 -11.458 9.378 1.00 0.00 C ATOM 1503 CD2 LEU A 99 12.885 -9.465 8.015 1.00 0.00 C ATOM 0 H LEU A 99 12.023 -12.886 4.956 1.00 0.00 H new ATOM 0 HA LEU A 99 11.208 -13.354 7.631 1.00 0.00 H new ATOM 0 HB2 LEU A 99 13.082 -11.939 6.854 1.00 0.00 H new ATOM 0 HB3 LEU A 99 11.967 -10.904 5.984 1.00 0.00 H new ATOM 0 HG LEU A 99 10.896 -10.281 8.162 1.00 0.00 H new ATOM 0 HD11 LEU A 99 12.083 -10.815 10.251 1.00 0.00 H new ATOM 0 HD12 LEU A 99 11.490 -12.286 9.443 1.00 0.00 H new ATOM 0 HD13 LEU A 99 13.213 -11.850 9.346 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.778 -8.837 8.899 1.00 0.00 H new ATOM 0 HD22 LEU A 99 13.909 -9.833 7.953 1.00 0.00 H new ATOM 0 HD23 LEU A 99 12.655 -8.880 7.124 1.00 0.00 H new ATOM 1515 N VAL A 100 9.090 -11.584 5.809 1.00 0.00 N ATOM 1516 CA VAL A 100 7.684 -11.200 5.698 1.00 0.00 C ATOM 1517 C VAL A 100 6.793 -12.451 5.723 1.00 0.00 C ATOM 1518 O VAL A 100 5.764 -12.480 6.402 1.00 0.00 O ATOM 1519 CB VAL A 100 7.493 -10.388 4.396 1.00 0.00 C ATOM 1520 CG1 VAL A 100 6.026 -10.008 4.149 1.00 0.00 C ATOM 1521 CG2 VAL A 100 8.334 -9.100 4.364 1.00 0.00 C ATOM 0 H VAL A 100 9.648 -11.313 4.999 1.00 0.00 H new ATOM 0 HA VAL A 100 7.393 -10.577 6.544 1.00 0.00 H new ATOM 0 HB VAL A 100 7.834 -11.057 3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.949 -9.439 3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.424 -10.913 4.071 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.663 -9.401 4.978 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.158 -8.573 3.426 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.050 -8.459 5.199 1.00 0.00 H new ATOM 0 HG23 VAL A 100 9.391 -9.354 4.444 1.00 0.00 H new ATOM 1531 N ASN A 101 7.193 -13.497 4.997 1.00 0.00 N ATOM 1532 CA ASN A 101 6.409 -14.707 4.761 1.00 0.00 C ATOM 1533 C ASN A 101 6.090 -15.449 6.059 1.00 0.00 C ATOM 1534 O ASN A 101 5.048 -16.097 6.140 1.00 0.00 O ATOM 1535 CB ASN A 101 7.140 -15.621 3.768 1.00 0.00 C ATOM 1536 CG ASN A 101 6.272 -16.782 3.301 1.00 0.00 C ATOM 1537 OD1 ASN A 101 6.199 -17.829 3.936 1.00 0.00 O ATOM 1538 ND2 ASN A 101 5.621 -16.621 2.161 1.00 0.00 N ATOM 0 H ASN A 101 8.105 -13.524 4.542 1.00 0.00 H new ATOM 0 HA ASN A 101 5.454 -14.407 4.329 1.00 0.00 H new ATOM 0 HB2 ASN A 101 7.455 -15.036 2.904 1.00 0.00 H new ATOM 0 HB3 ASN A 101 8.044 -16.012 4.235 1.00 0.00 H new ATOM 0 HD21 ASN A 101 5.043 -17.376 1.793 1.00 0.00 H new ATOM 0 HD22 ASN A 101 5.697 -15.741 1.650 1.00 0.00 H new ATOM 1545 N LYS A 102 6.921 -15.291 7.100 1.00 0.00 N ATOM 1546 CA LYS A 102 6.636 -15.818 8.437 1.00 0.00 C ATOM 1547 C LYS A 102 5.284 -15.340 8.984 1.00 0.00 C ATOM 1548 O LYS A 102 4.717 -16.020 9.841 1.00 0.00 O ATOM 1549 CB LYS A 102 7.711 -15.386 9.450 1.00 0.00 C ATOM 1550 CG LYS A 102 9.142 -15.877 9.195 1.00 0.00 C ATOM 1551 CD LYS A 102 9.982 -15.663 10.466 1.00 0.00 C ATOM 1552 CE LYS A 102 11.451 -16.043 10.246 1.00 0.00 C ATOM 1553 NZ LYS A 102 12.197 -16.139 11.527 1.00 0.00 N ATOM 0 H LYS A 102 7.809 -14.794 7.035 1.00 0.00 H new ATOM 0 HA LYS A 102 6.622 -16.902 8.321 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.727 -14.297 9.484 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.405 -15.731 10.438 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.134 -16.932 8.923 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.582 -15.335 8.358 1.00 0.00 H new ATOM 0 HD2 LYS A 102 9.918 -14.619 10.773 1.00 0.00 H new ATOM 0 HD3 LYS A 102 9.570 -16.260 11.279 1.00 0.00 H new ATOM 0 HE2 LYS A 102 11.504 -16.998 9.723 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.926 -15.301 9.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 13.206 -16.297 11.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.083 -15.255 12.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 11.825 -16.933 12.087 1.00 0.00 H new ATOM 1567 N HIS A 103 4.773 -14.194 8.520 1.00 0.00 N ATOM 1568 CA HIS A 103 3.641 -13.503 9.133 1.00 0.00 C ATOM 1569 C HIS A 103 2.460 -13.304 8.177 1.00 0.00 C ATOM 1570 O HIS A 103 1.380 -12.917 8.631 1.00 0.00 O ATOM 1571 CB HIS A 103 4.140 -12.155 9.674 1.00 0.00 C ATOM 1572 CG HIS A 103 5.411 -12.271 10.479 1.00 0.00 C ATOM 1573 ND1 HIS A 103 5.614 -13.069 11.585 1.00 0.00 N ATOM 1574 CD2 HIS A 103 6.614 -11.695 10.171 1.00 0.00 C ATOM 1575 CE1 HIS A 103 6.904 -12.957 11.942 1.00 0.00 C ATOM 1576 NE2 HIS A 103 7.555 -12.125 11.111 1.00 0.00 N ATOM 0 H HIS A 103 5.141 -13.717 7.697 1.00 0.00 H new ATOM 0 HA HIS A 103 3.257 -14.127 9.940 1.00 0.00 H new ATOM 0 HB2 HIS A 103 4.308 -11.475 8.839 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.363 -11.710 10.296 1.00 0.00 H new ATOM 0 HD1 HIS A 103 4.910 -13.642 12.049 1.00 0.00 H new ATOM 0 HD2 HIS A 103 6.803 -11.025 9.345 1.00 0.00 H new ATOM 0 HE1 HIS A 103 7.356 -13.465 12.781 1.00 0.00 H new ATOM 1584 N LEU A 104 2.640 -13.560 6.875 1.00 0.00 N ATOM 1585 CA LEU A 104 1.549 -13.556 5.906 1.00 0.00 C ATOM 1586 C LEU A 104 0.500 -14.583 6.318 1.00 0.00 C ATOM 1587 O LEU A 104 0.873 -15.714 6.696 1.00 0.00 O ATOM 1588 CB LEU A 104 2.048 -13.849 4.480 1.00 0.00 C ATOM 1589 CG LEU A 104 2.967 -12.776 3.872 1.00 0.00 C ATOM 1590 CD1 LEU A 104 3.362 -13.200 2.455 1.00 0.00 C ATOM 1591 CD2 LEU A 104 2.314 -11.389 3.824 1.00 0.00 C ATOM 1592 OXT LEU A 104 -0.704 -14.271 6.223 1.00 0.00 O ATOM 0 H LEU A 104 3.550 -13.776 6.468 1.00 0.00 H new ATOM 0 HA LEU A 104 1.108 -12.559 5.897 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.582 -14.799 4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.183 -13.975 3.829 1.00 0.00 H new ATOM 0 HG LEU A 104 3.843 -12.695 4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.014 -12.444 2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.888 -14.154 2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.466 -13.305 1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.010 -10.674 3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.409 -11.434 3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.058 -11.072 4.835 1.00 0.00 H new