USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 740 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 57 HIS : no HD1:sc= -8.71! C(o=-12!,f=-14!) USER MOD Set 1.2: A 74 SER OG : rot -115:sc= -1.8! USER MOD Set 1.3: A 78 THR OG1 : rot 39:sc= -1.02! USER MOD Single : A 10 THR OG1 : rot 42:sc= 0.187 USER MOD Single : A 12 SER OG : rot -26:sc= 0.611 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.813 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 134:sc= -0.0053 (180deg=-0.618) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 72:sc= 1.24 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -1.8 K(o=-1.8,f=-0.048) USER MOD Single : A 70 GLN : amide:sc= 0.597 K(o=0.6,f=-0.92) USER MOD Single : A 81 ASN : amide:sc= -2.84 K(o=-2.8,f=-5.4!) USER MOD Single : A 82 SER OG : rot 38:sc= 0.664 USER MOD Single : A 83 ASN : amide:sc= -0.21 K(o=-0.21,f=-1.2!) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 90 SER OG : rot -29:sc= -0.853 USER MOD Single : A 92 ASN : amide:sc= -0.161 X(o=-0.16,f=-0.49) USER MOD Single : A 100 LYS NZ :NH3+ 178:sc= 0.00822 (180deg=0.00614) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 160:sc=-0.000952 USER MOD Single : A 106 SER OG : rot 180:sc= -0.41 USER MOD Single : A 110 ASN : amide:sc= -0.621 K(o=-0.62,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 99 N THR A 10 -11.310 -10.298 -3.168 1.00 0.00 N ATOM 100 CA THR A 10 -10.109 -9.549 -2.837 1.00 0.00 C ATOM 101 C THR A 10 -10.476 -8.175 -2.273 1.00 0.00 C ATOM 102 O THR A 10 -11.050 -7.345 -2.975 1.00 0.00 O ATOM 103 CB THR A 10 -9.236 -9.478 -4.091 1.00 0.00 C ATOM 104 OG1 THR A 10 -9.205 -10.820 -4.570 1.00 0.00 O ATOM 105 CG2 THR A 10 -7.774 -9.163 -3.770 1.00 0.00 C ATOM 0 HA THR A 10 -9.537 -10.045 -2.053 1.00 0.00 H new ATOM 0 HB THR A 10 -9.631 -8.718 -4.765 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.098 -11.216 -4.492 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.199 -9.124 -4.695 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.712 -8.200 -3.263 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.368 -9.940 -3.123 1.00 0.00 H new ATOM 113 N PRO A 11 -10.120 -7.973 -0.976 1.00 0.00 N ATOM 114 CA PRO A 11 -10.405 -6.714 -0.309 1.00 0.00 C ATOM 115 C PRO A 11 -9.450 -5.615 -0.779 1.00 0.00 C ATOM 116 O PRO A 11 -8.264 -5.867 -0.989 1.00 0.00 O ATOM 117 CB PRO A 11 -10.278 -7.017 1.175 1.00 0.00 C ATOM 118 CG PRO A 11 -9.476 -8.305 1.270 1.00 0.00 C ATOM 119 CD PRO A 11 -9.438 -8.934 -0.113 1.00 0.00 C ATOM 0 HA PRO A 11 -11.399 -6.332 -0.540 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.775 -6.204 1.698 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.259 -7.133 1.635 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.466 -8.100 1.624 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.933 -8.987 1.987 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.413 -9.104 -0.443 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.941 -9.901 -0.122 1.00 0.00 H new ATOM 127 N SER A 12 -10.001 -4.420 -0.931 1.00 0.00 N ATOM 128 CA SER A 12 -9.213 -3.283 -1.372 1.00 0.00 C ATOM 129 C SER A 12 -8.059 -3.037 -0.399 1.00 0.00 C ATOM 130 O SER A 12 -8.145 -3.393 0.776 1.00 0.00 O ATOM 131 CB SER A 12 -10.079 -2.027 -1.496 1.00 0.00 C ATOM 132 OG SER A 12 -10.073 -1.504 -2.822 1.00 0.00 O ATOM 0 H SER A 12 -10.985 -4.215 -0.756 1.00 0.00 H new ATOM 0 HA SER A 12 -8.807 -3.511 -2.358 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.102 -2.262 -1.203 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.716 -1.267 -0.805 1.00 0.00 H new ATOM 0 HG SER A 12 -9.245 -1.769 -3.275 1.00 0.00 H new ATOM 138 N LEU A 13 -7.004 -2.430 -0.922 1.00 0.00 N ATOM 139 CA LEU A 13 -5.834 -2.132 -0.114 1.00 0.00 C ATOM 140 C LEU A 13 -5.979 -0.735 0.492 1.00 0.00 C ATOM 141 O LEU A 13 -5.922 0.265 -0.223 1.00 0.00 O ATOM 142 CB LEU A 13 -4.555 -2.316 -0.934 1.00 0.00 C ATOM 143 CG LEU A 13 -3.244 -2.296 -0.146 1.00 0.00 C ATOM 144 CD1 LEU A 13 -3.295 -3.275 1.029 1.00 0.00 C ATOM 145 CD2 LEU A 13 -2.049 -2.563 -1.063 1.00 0.00 C ATOM 0 H LEU A 13 -6.935 -2.136 -1.896 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.757 -2.834 0.717 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.622 -3.265 -1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.514 -1.530 -1.688 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.112 -1.298 0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.351 -3.241 1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.109 -2.998 1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.462 -4.285 0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.130 -2.543 -0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.161 -3.541 -1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.004 -1.795 -1.835 1.00 0.00 H new ATOM 157 N ARG A 14 -6.166 -0.710 1.803 1.00 0.00 N ATOM 158 CA ARG A 14 -6.320 0.549 2.513 1.00 0.00 C ATOM 159 C ARG A 14 -5.047 0.877 3.295 1.00 0.00 C ATOM 160 O ARG A 14 -4.836 0.359 4.390 1.00 0.00 O ATOM 161 CB ARG A 14 -7.505 0.493 3.481 1.00 0.00 C ATOM 162 CG ARG A 14 -7.678 1.826 4.212 1.00 0.00 C ATOM 163 CD ARG A 14 -8.257 1.612 5.612 1.00 0.00 C ATOM 164 NE ARG A 14 -9.361 2.567 5.855 1.00 0.00 N ATOM 165 CZ ARG A 14 -9.828 2.882 7.070 1.00 0.00 C ATOM 166 NH1 ARG A 14 -9.291 2.320 8.161 1.00 0.00 N ATOM 167 NH2 ARG A 14 -10.833 3.760 7.195 1.00 0.00 N ATOM 0 H ARG A 14 -6.214 -1.541 2.393 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.506 1.327 1.773 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.416 0.254 2.933 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.350 -0.306 4.206 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.715 2.332 4.286 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -8.337 2.477 3.638 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.621 0.589 5.711 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.477 1.747 6.361 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.793 3.013 5.046 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.526 1.652 8.067 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -9.647 2.560 9.086 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -11.242 4.188 6.365 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -11.189 4.000 8.120 1.00 0.00 H new ATOM 181 N LEU A 15 -4.231 1.736 2.701 1.00 0.00 N ATOM 182 CA LEU A 15 -2.984 2.140 3.328 1.00 0.00 C ATOM 183 C LEU A 15 -3.246 3.327 4.257 1.00 0.00 C ATOM 184 O LEU A 15 -3.528 4.431 3.794 1.00 0.00 O ATOM 185 CB LEU A 15 -1.915 2.412 2.268 1.00 0.00 C ATOM 186 CG LEU A 15 -1.426 1.195 1.481 1.00 0.00 C ATOM 187 CD1 LEU A 15 -0.622 1.624 0.252 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.634 0.243 2.379 1.00 0.00 C ATOM 0 H LEU A 15 -4.409 2.163 1.792 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.589 1.333 3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.310 3.142 1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.056 2.873 2.756 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.298 0.648 1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.286 0.740 -0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.250 2.232 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.243 2.206 0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.298 -0.614 1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.231 0.764 2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.270 -0.101 3.195 1.00 0.00 H new ATOM 200 N VAL A 16 -3.144 3.059 5.551 1.00 0.00 N ATOM 201 CA VAL A 16 -3.366 4.091 6.549 1.00 0.00 C ATOM 202 C VAL A 16 -2.017 4.625 7.033 1.00 0.00 C ATOM 203 O VAL A 16 -1.160 3.856 7.465 1.00 0.00 O ATOM 204 CB VAL A 16 -4.235 3.544 7.683 1.00 0.00 C ATOM 205 CG1 VAL A 16 -4.496 4.619 8.740 1.00 0.00 C ATOM 206 CG2 VAL A 16 -5.549 2.977 7.142 1.00 0.00 C ATOM 0 H VAL A 16 -2.910 2.142 5.931 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.911 4.930 6.116 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.690 2.730 8.160 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.116 4.205 9.535 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.547 4.956 9.158 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.011 5.463 8.281 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.148 2.595 7.969 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.101 3.764 6.628 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.336 2.168 6.444 1.00 0.00 H new ATOM 216 N PHE A 17 -1.870 5.939 6.946 1.00 0.00 N ATOM 217 CA PHE A 17 -0.640 6.585 7.371 1.00 0.00 C ATOM 218 C PHE A 17 -0.658 6.865 8.875 1.00 0.00 C ATOM 219 O PHE A 17 -1.067 7.942 9.304 1.00 0.00 O ATOM 220 CB PHE A 17 -0.549 7.914 6.618 1.00 0.00 C ATOM 221 CG PHE A 17 0.254 7.839 5.318 1.00 0.00 C ATOM 222 CD1 PHE A 17 1.613 7.786 5.360 1.00 0.00 C ATOM 223 CD2 PHE A 17 -0.390 7.824 4.120 1.00 0.00 C ATOM 224 CE1 PHE A 17 2.358 7.717 4.153 1.00 0.00 C ATOM 225 CE2 PHE A 17 0.356 7.754 2.913 1.00 0.00 C ATOM 226 CZ PHE A 17 1.714 7.702 2.956 1.00 0.00 C ATOM 0 H PHE A 17 -2.583 6.574 6.587 1.00 0.00 H new ATOM 0 HA PHE A 17 0.211 5.938 7.160 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.557 8.261 6.391 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.095 8.659 7.271 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.125 7.796 6.311 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.469 7.865 4.086 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.437 7.676 4.186 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.155 7.742 1.962 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.281 7.649 2.039 1.00 0.00 H new ATOM 236 N VAL A 18 -0.209 5.876 9.634 1.00 0.00 N ATOM 237 CA VAL A 18 -0.169 6.002 11.081 1.00 0.00 C ATOM 238 C VAL A 18 0.995 6.913 11.476 1.00 0.00 C ATOM 239 O VAL A 18 0.951 7.564 12.519 1.00 0.00 O ATOM 240 CB VAL A 18 -0.089 4.617 11.725 1.00 0.00 C ATOM 241 CG1 VAL A 18 -1.424 3.878 11.604 1.00 0.00 C ATOM 242 CG2 VAL A 18 1.049 3.794 11.118 1.00 0.00 C ATOM 0 H VAL A 18 0.130 4.984 9.274 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.084 6.464 11.450 1.00 0.00 H new ATOM 0 HB VAL A 18 0.125 4.753 12.785 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.340 2.896 12.070 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.204 4.452 12.105 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.680 3.759 10.551 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.083 2.814 11.594 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.879 3.672 10.048 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.996 4.309 11.279 1.00 0.00 H new ATOM 252 N LYS A 19 2.008 6.930 10.623 1.00 0.00 N ATOM 253 CA LYS A 19 3.181 7.751 10.870 1.00 0.00 C ATOM 254 C LYS A 19 3.672 8.343 9.548 1.00 0.00 C ATOM 255 O LYS A 19 3.158 8.004 8.483 1.00 0.00 O ATOM 256 CB LYS A 19 4.247 6.949 11.619 1.00 0.00 C ATOM 257 CG LYS A 19 3.711 6.441 12.959 1.00 0.00 C ATOM 258 CD LYS A 19 4.837 6.316 13.988 1.00 0.00 C ATOM 259 CE LYS A 19 4.377 5.516 15.209 1.00 0.00 C ATOM 260 NZ LYS A 19 4.667 6.261 16.454 1.00 0.00 N ATOM 0 H LYS A 19 2.041 6.388 9.759 1.00 0.00 H new ATOM 0 HA LYS A 19 2.930 8.589 11.520 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.568 6.105 11.008 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.125 7.573 11.787 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.947 7.124 13.332 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.232 5.472 12.819 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.699 5.828 13.532 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.161 7.309 14.300 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.308 5.316 15.138 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.882 4.550 15.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.349 5.705 17.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.691 6.430 16.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.166 7.172 16.438 1.00 0.00 H new ATOM 274 N GLY A 20 4.662 9.217 9.659 1.00 0.00 N ATOM 275 CA GLY A 20 5.228 9.859 8.485 1.00 0.00 C ATOM 276 C GLY A 20 4.676 11.276 8.315 1.00 0.00 C ATOM 277 O GLY A 20 3.986 11.787 9.195 1.00 0.00 O ATOM 0 H GLY A 20 5.086 9.495 10.544 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.314 9.896 8.574 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.001 9.268 7.598 1.00 0.00 H new ATOM 281 N PRO A 21 5.010 11.886 7.147 1.00 0.00 N ATOM 282 CA PRO A 21 4.556 13.234 6.850 1.00 0.00 C ATOM 283 C PRO A 21 3.074 13.242 6.471 1.00 0.00 C ATOM 284 O PRO A 21 2.432 14.292 6.481 1.00 0.00 O ATOM 285 CB PRO A 21 5.459 13.716 5.726 1.00 0.00 C ATOM 286 CG PRO A 21 6.075 12.464 5.121 1.00 0.00 C ATOM 287 CD PRO A 21 5.826 11.312 6.081 1.00 0.00 C ATOM 0 HA PRO A 21 4.625 13.900 7.710 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.891 14.272 4.980 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.230 14.387 6.105 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.632 12.253 4.148 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.144 12.603 4.961 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.309 10.489 5.587 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.762 10.912 6.471 1.00 0.00 H new ATOM 295 N ARG A 22 2.573 12.059 6.145 1.00 0.00 N ATOM 296 CA ARG A 22 1.178 11.917 5.763 1.00 0.00 C ATOM 297 C ARG A 22 0.365 11.345 6.927 1.00 0.00 C ATOM 298 O ARG A 22 -0.814 11.031 6.769 1.00 0.00 O ATOM 299 CB ARG A 22 1.031 10.999 4.548 1.00 0.00 C ATOM 300 CG ARG A 22 1.212 11.782 3.245 1.00 0.00 C ATOM 301 CD ARG A 22 2.068 10.997 2.249 1.00 0.00 C ATOM 302 NE ARG A 22 1.435 11.017 0.912 1.00 0.00 N ATOM 303 CZ ARG A 22 1.441 12.078 0.093 1.00 0.00 C ATOM 304 NH1 ARG A 22 2.048 13.212 0.470 1.00 0.00 N ATOM 305 NH2 ARG A 22 0.841 12.005 -1.103 1.00 0.00 N ATOM 0 H ARG A 22 3.108 11.191 6.138 1.00 0.00 H new ATOM 0 HA ARG A 22 0.802 12.907 5.504 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.769 10.198 4.601 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.048 10.528 4.560 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.237 11.993 2.805 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.682 12.743 3.456 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.067 11.431 2.194 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.185 9.968 2.589 1.00 0.00 H new ATOM 0 HE ARG A 22 0.964 10.170 0.593 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.505 13.267 1.380 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.053 14.019 -0.153 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.380 11.142 -1.390 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.846 12.813 -1.726 1.00 0.00 H new ATOM 319 N GLU A 23 1.027 11.228 8.068 1.00 0.00 N ATOM 320 CA GLU A 23 0.381 10.699 9.258 1.00 0.00 C ATOM 321 C GLU A 23 -1.039 11.256 9.381 1.00 0.00 C ATOM 322 O GLU A 23 -1.227 12.464 9.512 1.00 0.00 O ATOM 323 CB GLU A 23 1.202 11.008 10.511 1.00 0.00 C ATOM 324 CG GLU A 23 0.542 10.416 11.758 1.00 0.00 C ATOM 325 CD GLU A 23 0.149 11.516 12.745 1.00 0.00 C ATOM 326 OE1 GLU A 23 -0.875 12.181 12.476 1.00 0.00 O ATOM 327 OE2 GLU A 23 0.880 11.668 13.747 1.00 0.00 O ATOM 0 H GLU A 23 2.005 11.490 8.194 1.00 0.00 H new ATOM 0 HA GLU A 23 0.319 9.615 9.164 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.208 10.603 10.400 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.304 12.087 10.627 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.342 9.848 11.470 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.227 9.718 12.240 1.00 0.00 H new ATOM 334 N GLY A 24 -2.003 10.347 9.335 1.00 0.00 N ATOM 335 CA GLY A 24 -3.400 10.732 9.441 1.00 0.00 C ATOM 336 C GLY A 24 -4.107 10.603 8.090 1.00 0.00 C ATOM 337 O GLY A 24 -5.268 10.985 7.955 1.00 0.00 O ATOM 0 H GLY A 24 -1.844 9.345 9.226 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.899 10.104 10.179 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.472 11.760 9.797 1.00 0.00 H new ATOM 341 N ASP A 25 -3.377 10.064 7.125 1.00 0.00 N ATOM 342 CA ASP A 25 -3.920 9.881 5.790 1.00 0.00 C ATOM 343 C ASP A 25 -4.281 8.408 5.588 1.00 0.00 C ATOM 344 O ASP A 25 -3.801 7.542 6.318 1.00 0.00 O ATOM 345 CB ASP A 25 -2.896 10.267 4.721 1.00 0.00 C ATOM 346 CG ASP A 25 -2.805 11.765 4.422 1.00 0.00 C ATOM 347 OD1 ASP A 25 -3.163 12.547 5.329 1.00 0.00 O ATOM 348 OD2 ASP A 25 -2.380 12.094 3.294 1.00 0.00 O ATOM 0 H ASP A 25 -2.414 9.748 7.241 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.799 10.518 5.694 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.914 9.915 5.036 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.142 9.742 3.798 1.00 0.00 H new ATOM 353 N ALA A 26 -5.125 8.169 4.595 1.00 0.00 N ATOM 354 CA ALA A 26 -5.556 6.816 4.289 1.00 0.00 C ATOM 355 C ALA A 26 -5.977 6.739 2.820 1.00 0.00 C ATOM 356 O ALA A 26 -6.807 7.525 2.367 1.00 0.00 O ATOM 357 CB ALA A 26 -6.684 6.411 5.240 1.00 0.00 C ATOM 0 H ALA A 26 -5.522 8.890 3.992 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.738 6.111 4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.007 5.396 5.010 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.326 6.453 6.269 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.524 7.095 5.120 1.00 0.00 H new ATOM 363 N LEU A 27 -5.384 5.785 2.117 1.00 0.00 N ATOM 364 CA LEU A 27 -5.687 5.596 0.708 1.00 0.00 C ATOM 365 C LEU A 27 -6.397 4.254 0.520 1.00 0.00 C ATOM 366 O LEU A 27 -6.472 3.451 1.449 1.00 0.00 O ATOM 367 CB LEU A 27 -4.420 5.745 -0.137 1.00 0.00 C ATOM 368 CG LEU A 27 -3.596 7.011 0.107 1.00 0.00 C ATOM 369 CD1 LEU A 27 -2.100 6.693 0.144 1.00 0.00 C ATOM 370 CD2 LEU A 27 -3.928 8.089 -0.927 1.00 0.00 C ATOM 0 H LEU A 27 -4.696 5.135 2.496 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.369 6.370 0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.782 4.880 0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.703 5.717 -1.189 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.864 7.410 1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.537 7.610 0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.898 5.985 0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.797 6.257 -0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.329 8.978 -0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.706 7.715 -1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.986 8.343 -0.861 1.00 0.00 H new ATOM 382 N ASP A 28 -6.901 4.052 -0.689 1.00 0.00 N ATOM 383 CA ASP A 28 -7.603 2.821 -1.011 1.00 0.00 C ATOM 384 C ASP A 28 -7.390 2.490 -2.490 1.00 0.00 C ATOM 385 O ASP A 28 -7.501 3.364 -3.348 1.00 0.00 O ATOM 386 CB ASP A 28 -9.107 2.966 -0.771 1.00 0.00 C ATOM 387 CG ASP A 28 -9.861 3.752 -1.846 1.00 0.00 C ATOM 388 OD1 ASP A 28 -9.322 4.798 -2.267 1.00 0.00 O ATOM 389 OD2 ASP A 28 -10.958 3.288 -2.223 1.00 0.00 O ATOM 0 H ASP A 28 -6.837 4.720 -1.457 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.210 2.031 -0.371 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.545 1.971 -0.696 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.261 3.456 0.191 1.00 0.00 H new ATOM 394 N TYR A 29 -7.087 1.225 -2.742 1.00 0.00 N ATOM 395 CA TYR A 29 -6.858 0.767 -4.102 1.00 0.00 C ATOM 396 C TYR A 29 -7.575 -0.559 -4.362 1.00 0.00 C ATOM 397 O TYR A 29 -7.739 -1.370 -3.452 1.00 0.00 O ATOM 398 CB TYR A 29 -5.348 0.549 -4.224 1.00 0.00 C ATOM 399 CG TYR A 29 -4.513 1.797 -3.932 1.00 0.00 C ATOM 400 CD1 TYR A 29 -4.128 2.082 -2.637 1.00 0.00 C ATOM 401 CD2 TYR A 29 -4.146 2.638 -4.962 1.00 0.00 C ATOM 402 CE1 TYR A 29 -3.342 3.257 -2.363 1.00 0.00 C ATOM 403 CE2 TYR A 29 -3.360 3.813 -4.687 1.00 0.00 C ATOM 404 CZ TYR A 29 -2.997 4.065 -3.401 1.00 0.00 C ATOM 405 OH TYR A 29 -2.255 5.175 -3.141 1.00 0.00 O ATOM 0 H TYR A 29 -6.995 0.503 -2.027 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.235 1.494 -4.821 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.049 -0.244 -3.538 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.122 0.201 -5.232 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.416 1.424 -1.830 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.448 2.415 -5.975 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.033 3.491 -1.355 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.065 4.479 -5.484 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.083 5.656 -3.977 1.00 0.00 H new ATOM 415 N LYS A 30 -7.984 -0.738 -5.610 1.00 0.00 N ATOM 416 CA LYS A 30 -8.680 -1.952 -6.002 1.00 0.00 C ATOM 417 C LYS A 30 -7.696 -3.123 -5.999 1.00 0.00 C ATOM 418 O LYS A 30 -6.483 -2.919 -5.977 1.00 0.00 O ATOM 419 CB LYS A 30 -9.394 -1.751 -7.340 1.00 0.00 C ATOM 420 CG LYS A 30 -10.870 -1.406 -7.128 1.00 0.00 C ATOM 421 CD LYS A 30 -11.401 -0.544 -8.275 1.00 0.00 C ATOM 422 CE LYS A 30 -12.915 -0.351 -8.160 1.00 0.00 C ATOM 423 NZ LYS A 30 -13.545 -0.389 -9.498 1.00 0.00 N ATOM 0 H LYS A 30 -7.847 -0.063 -6.362 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.463 -2.192 -5.282 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.907 -0.952 -7.900 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.311 -2.657 -7.940 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.455 -2.323 -7.056 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.991 -0.876 -6.183 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.905 0.427 -8.265 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.162 -1.014 -9.229 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.340 -1.131 -7.529 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.130 0.602 -7.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.572 -0.257 -9.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.152 0.371 -10.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.355 -1.308 -9.945 1.00 0.00 H new ATOM 437 N PRO A 31 -8.269 -4.356 -6.023 1.00 0.00 N ATOM 438 CA PRO A 31 -7.456 -5.560 -6.024 1.00 0.00 C ATOM 439 C PRO A 31 -6.820 -5.791 -7.396 1.00 0.00 C ATOM 440 O PRO A 31 -7.476 -5.627 -8.424 1.00 0.00 O ATOM 441 CB PRO A 31 -8.403 -6.675 -5.613 1.00 0.00 C ATOM 442 CG PRO A 31 -9.806 -6.139 -5.848 1.00 0.00 C ATOM 443 CD PRO A 31 -9.702 -4.636 -6.050 1.00 0.00 C ATOM 0 HA PRO A 31 -6.613 -5.498 -5.336 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.225 -7.575 -6.202 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.258 -6.945 -4.567 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.254 -6.612 -6.722 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.449 -6.366 -4.998 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.147 -4.332 -6.998 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -10.226 -4.094 -5.263 1.00 0.00 H new ATOM 451 N GLY A 32 -5.550 -6.169 -7.369 1.00 0.00 N ATOM 452 CA GLY A 32 -4.819 -6.424 -8.598 1.00 0.00 C ATOM 453 C GLY A 32 -4.207 -5.135 -9.150 1.00 0.00 C ATOM 454 O GLY A 32 -3.805 -5.082 -10.311 1.00 0.00 O ATOM 0 H GLY A 32 -5.009 -6.305 -6.515 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.031 -7.154 -8.412 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.488 -6.860 -9.340 1.00 0.00 H new ATOM 458 N SER A 33 -4.157 -4.127 -8.292 1.00 0.00 N ATOM 459 CA SER A 33 -3.602 -2.841 -8.679 1.00 0.00 C ATOM 460 C SER A 33 -2.284 -2.596 -7.941 1.00 0.00 C ATOM 461 O SER A 33 -2.284 -2.276 -6.753 1.00 0.00 O ATOM 462 CB SER A 33 -4.588 -1.707 -8.395 1.00 0.00 C ATOM 463 OG SER A 33 -5.369 -1.379 -9.541 1.00 0.00 O ATOM 0 H SER A 33 -4.492 -4.175 -7.330 1.00 0.00 H new ATOM 0 HA SER A 33 -3.412 -2.860 -9.752 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.248 -1.997 -7.577 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.040 -0.824 -8.065 1.00 0.00 H new ATOM 0 HG SER A 33 -5.987 -0.652 -9.318 1.00 0.00 H new ATOM 469 N THR A 34 -1.193 -2.756 -8.675 1.00 0.00 N ATOM 470 CA THR A 34 0.129 -2.556 -8.105 1.00 0.00 C ATOM 471 C THR A 34 0.286 -1.116 -7.615 1.00 0.00 C ATOM 472 O THR A 34 0.121 -0.172 -8.386 1.00 0.00 O ATOM 473 CB THR A 34 1.164 -2.956 -9.158 1.00 0.00 C ATOM 474 OG1 THR A 34 0.996 -4.365 -9.293 1.00 0.00 O ATOM 475 CG2 THR A 34 2.601 -2.798 -8.657 1.00 0.00 C ATOM 0 H THR A 34 -1.197 -3.022 -9.660 1.00 0.00 H new ATOM 0 HA THR A 34 0.280 -3.183 -7.226 1.00 0.00 H new ATOM 0 HB THR A 34 1.023 -2.350 -10.053 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.628 -4.707 -9.959 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.295 -3.095 -9.443 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.781 -1.757 -8.389 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.753 -3.429 -7.781 1.00 0.00 H new ATOM 483 N ILE A 35 0.603 -0.991 -6.334 1.00 0.00 N ATOM 484 CA ILE A 35 0.784 0.319 -5.732 1.00 0.00 C ATOM 485 C ILE A 35 2.273 0.555 -5.475 1.00 0.00 C ATOM 486 O ILE A 35 2.834 0.021 -4.519 1.00 0.00 O ATOM 487 CB ILE A 35 -0.086 0.458 -4.481 1.00 0.00 C ATOM 488 CG1 ILE A 35 -1.563 0.233 -4.812 1.00 0.00 C ATOM 489 CG2 ILE A 35 0.149 1.806 -3.797 1.00 0.00 C ATOM 490 CD1 ILE A 35 -2.156 -0.878 -3.944 1.00 0.00 C ATOM 0 H ILE A 35 0.739 -1.776 -5.697 1.00 0.00 H new ATOM 0 HA ILE A 35 0.450 1.102 -6.413 1.00 0.00 H new ATOM 0 HB ILE A 35 0.207 -0.318 -3.773 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.119 1.157 -4.656 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.668 -0.028 -5.865 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.481 1.879 -2.911 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.196 1.888 -3.505 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.100 2.612 -4.487 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.206 -1.018 -4.199 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.613 -1.807 -4.120 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.072 -0.603 -2.893 1.00 0.00 H new ATOM 502 N ARG A 36 2.872 1.356 -6.344 1.00 0.00 N ATOM 503 CA ARG A 36 4.285 1.670 -6.223 1.00 0.00 C ATOM 504 C ARG A 36 4.488 2.838 -5.256 1.00 0.00 C ATOM 505 O ARG A 36 4.222 3.988 -5.602 1.00 0.00 O ATOM 506 CB ARG A 36 4.887 2.031 -7.582 1.00 0.00 C ATOM 507 CG ARG A 36 4.571 0.957 -8.625 1.00 0.00 C ATOM 508 CD ARG A 36 3.725 1.531 -9.764 1.00 0.00 C ATOM 509 NE ARG A 36 2.436 0.810 -9.849 1.00 0.00 N ATOM 510 CZ ARG A 36 1.648 0.805 -10.934 1.00 0.00 C ATOM 511 NH1 ARG A 36 2.014 1.482 -12.031 1.00 0.00 N ATOM 512 NH2 ARG A 36 0.495 0.123 -10.921 1.00 0.00 N ATOM 0 H ARG A 36 2.404 1.797 -7.135 1.00 0.00 H new ATOM 0 HA ARG A 36 4.790 0.784 -5.839 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.494 2.992 -7.914 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.967 2.144 -7.487 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.499 0.550 -9.026 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.039 0.131 -8.152 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.547 2.593 -9.596 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.263 1.443 -10.708 1.00 0.00 H new ATOM 0 HE ARG A 36 2.127 0.284 -9.031 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.892 2.001 -12.041 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.415 1.478 -12.856 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.217 -0.392 -10.086 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.105 0.119 -11.746 1.00 0.00 H new ATOM 526 N VAL A 37 4.959 2.503 -4.064 1.00 0.00 N ATOM 527 CA VAL A 37 5.201 3.510 -3.045 1.00 0.00 C ATOM 528 C VAL A 37 6.653 3.983 -3.137 1.00 0.00 C ATOM 529 O VAL A 37 7.580 3.192 -2.967 1.00 0.00 O ATOM 530 CB VAL A 37 4.839 2.956 -1.665 1.00 0.00 C ATOM 531 CG1 VAL A 37 4.983 4.032 -0.587 1.00 0.00 C ATOM 532 CG2 VAL A 37 3.428 2.365 -1.665 1.00 0.00 C ATOM 0 H VAL A 37 5.180 1.548 -3.781 1.00 0.00 H new ATOM 0 HA VAL A 37 4.564 4.380 -3.208 1.00 0.00 H new ATOM 0 HB VAL A 37 5.539 2.153 -1.432 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.720 3.612 0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.014 4.386 -0.562 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.318 4.866 -0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.196 1.978 -0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.709 3.140 -1.930 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.373 1.555 -2.392 1.00 0.00 H new ATOM 542 N GLY A 38 6.807 5.271 -3.405 1.00 0.00 N ATOM 543 CA GLY A 38 8.130 5.859 -3.521 1.00 0.00 C ATOM 544 C GLY A 38 8.187 7.223 -2.830 1.00 0.00 C ATOM 545 O GLY A 38 7.432 7.480 -1.894 1.00 0.00 O ATOM 0 H GLY A 38 6.036 5.924 -3.545 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.869 5.191 -3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.392 5.969 -4.573 1.00 0.00 H new ATOM 549 N ARG A 39 9.090 8.061 -3.318 1.00 0.00 N ATOM 550 CA ARG A 39 9.255 9.392 -2.759 1.00 0.00 C ATOM 551 C ARG A 39 8.750 10.448 -3.744 1.00 0.00 C ATOM 552 O ARG A 39 8.181 11.460 -3.337 1.00 0.00 O ATOM 553 CB ARG A 39 10.723 9.673 -2.429 1.00 0.00 C ATOM 554 CG ARG A 39 10.942 11.156 -2.124 1.00 0.00 C ATOM 555 CD ARG A 39 12.341 11.397 -1.553 1.00 0.00 C ATOM 556 NE ARG A 39 12.934 12.609 -2.161 1.00 0.00 N ATOM 557 CZ ARG A 39 13.523 12.634 -3.364 1.00 0.00 C ATOM 558 NH1 ARG A 39 13.602 11.514 -4.095 1.00 0.00 N ATOM 559 NH2 ARG A 39 14.033 13.780 -3.836 1.00 0.00 N ATOM 0 H ARG A 39 9.715 7.844 -4.094 1.00 0.00 H new ATOM 0 HA ARG A 39 8.672 9.440 -1.839 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.028 9.073 -1.572 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.352 9.374 -3.268 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.811 11.741 -3.034 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.191 11.500 -1.413 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.286 11.513 -0.471 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.977 10.533 -1.749 1.00 0.00 H new ATOM 0 HE ARG A 39 12.892 13.480 -1.631 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.214 10.642 -3.736 1.00 0.00 H new ATOM 0 HH12 ARG A 39 14.050 11.533 -5.011 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.973 14.633 -3.279 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.482 13.800 -4.752 1.00 0.00 H new ATOM 573 N ILE A 40 8.975 10.176 -5.021 1.00 0.00 N ATOM 574 CA ILE A 40 8.549 11.090 -6.067 1.00 0.00 C ATOM 575 C ILE A 40 7.200 10.630 -6.623 1.00 0.00 C ATOM 576 O ILE A 40 7.004 9.444 -6.883 1.00 0.00 O ATOM 577 CB ILE A 40 9.638 11.229 -7.133 1.00 0.00 C ATOM 578 CG1 ILE A 40 10.110 9.856 -7.617 1.00 0.00 C ATOM 579 CG2 ILE A 40 10.798 12.086 -6.623 1.00 0.00 C ATOM 580 CD1 ILE A 40 10.569 9.917 -9.075 1.00 0.00 C ATOM 0 H ILE A 40 9.447 9.336 -5.355 1.00 0.00 H new ATOM 0 HA ILE A 40 8.402 12.091 -5.661 1.00 0.00 H new ATOM 0 HB ILE A 40 9.210 11.744 -7.993 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.929 9.507 -6.988 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.300 9.133 -7.517 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.558 12.169 -7.400 1.00 0.00 H new ATOM 0 HG22 ILE A 40 10.431 13.080 -6.367 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.233 11.621 -5.738 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.899 8.928 -9.394 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.741 10.243 -9.704 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.395 10.623 -9.167 1.00 0.00 H new ATOM 653 N GLU A 45 2.377 5.260 -7.219 1.00 0.00 N ATOM 654 CA GLU A 45 1.033 5.321 -6.671 1.00 0.00 C ATOM 655 C GLU A 45 1.017 6.170 -5.398 1.00 0.00 C ATOM 656 O GLU A 45 0.033 6.851 -5.114 1.00 0.00 O ATOM 657 CB GLU A 45 0.488 3.917 -6.400 1.00 0.00 C ATOM 658 CG GLU A 45 -0.449 3.467 -7.523 1.00 0.00 C ATOM 659 CD GLU A 45 -1.747 4.278 -7.513 1.00 0.00 C ATOM 660 OE1 GLU A 45 -1.697 5.422 -7.012 1.00 0.00 O ATOM 661 OE2 GLU A 45 -2.759 3.735 -8.006 1.00 0.00 O ATOM 0 HA GLU A 45 0.382 5.793 -7.407 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.315 3.213 -6.308 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.046 3.907 -5.450 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.049 3.583 -8.486 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.677 2.407 -7.408 1.00 0.00 H new ATOM 668 N ILE A 46 2.119 6.102 -4.665 1.00 0.00 N ATOM 669 CA ILE A 46 2.244 6.856 -3.430 1.00 0.00 C ATOM 670 C ILE A 46 3.645 7.465 -3.349 1.00 0.00 C ATOM 671 O ILE A 46 4.629 6.816 -3.698 1.00 0.00 O ATOM 672 CB ILE A 46 1.885 5.979 -2.228 1.00 0.00 C ATOM 673 CG1 ILE A 46 0.456 5.444 -2.348 1.00 0.00 C ATOM 674 CG2 ILE A 46 2.107 6.731 -0.915 1.00 0.00 C ATOM 675 CD1 ILE A 46 0.217 4.294 -1.367 1.00 0.00 C ATOM 0 H ILE A 46 2.933 5.536 -4.903 1.00 0.00 H new ATOM 0 HA ILE A 46 1.534 7.683 -3.416 1.00 0.00 H new ATOM 0 HB ILE A 46 2.552 5.117 -2.222 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.254 6.247 -2.152 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.277 5.101 -3.367 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.844 6.085 -0.077 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.154 7.022 -0.835 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.481 7.623 -0.896 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.806 3.932 -1.473 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.913 3.483 -1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.373 4.647 -0.348 1.00 0.00 H new ATOM 687 N ALA A 47 3.690 8.706 -2.886 1.00 0.00 N ATOM 688 CA ALA A 47 4.953 9.411 -2.755 1.00 0.00 C ATOM 689 C ALA A 47 5.007 10.104 -1.392 1.00 0.00 C ATOM 690 O ALA A 47 4.163 10.944 -1.086 1.00 0.00 O ATOM 691 CB ALA A 47 5.113 10.395 -3.916 1.00 0.00 C ATOM 0 H ALA A 47 2.871 9.241 -2.597 1.00 0.00 H new ATOM 0 HA ALA A 47 5.788 8.712 -2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.061 10.924 -3.817 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.098 9.850 -4.860 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.294 11.114 -3.900 1.00 0.00 H new ATOM 697 N ILE A 48 6.008 9.725 -0.611 1.00 0.00 N ATOM 698 CA ILE A 48 6.183 10.300 0.712 1.00 0.00 C ATOM 699 C ILE A 48 7.432 11.184 0.719 1.00 0.00 C ATOM 700 O ILE A 48 8.488 10.775 0.240 1.00 0.00 O ATOM 701 CB ILE A 48 6.202 9.200 1.776 1.00 0.00 C ATOM 702 CG1 ILE A 48 4.836 8.519 1.885 1.00 0.00 C ATOM 703 CG2 ILE A 48 6.678 9.748 3.123 1.00 0.00 C ATOM 704 CD1 ILE A 48 4.991 7.013 2.105 1.00 0.00 C ATOM 0 H ILE A 48 6.706 9.027 -0.869 1.00 0.00 H new ATOM 0 HA ILE A 48 5.338 10.941 0.963 1.00 0.00 H new ATOM 0 HB ILE A 48 6.918 8.438 1.467 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.273 8.955 2.710 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.262 8.700 0.977 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.682 8.946 3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.686 10.149 3.017 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.005 10.540 3.452 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.006 6.553 2.179 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.533 6.577 1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.545 6.835 3.027 1.00 0.00 H new ATOM 716 N LYS A 49 7.269 12.379 1.267 1.00 0.00 N ATOM 717 CA LYS A 49 8.370 13.324 1.342 1.00 0.00 C ATOM 718 C LYS A 49 8.974 13.285 2.747 1.00 0.00 C ATOM 719 O LYS A 49 8.805 14.223 3.526 1.00 0.00 O ATOM 720 CB LYS A 49 7.911 14.717 0.908 1.00 0.00 C ATOM 721 CG LYS A 49 7.739 14.790 -0.610 1.00 0.00 C ATOM 722 CD LYS A 49 8.891 15.562 -1.256 1.00 0.00 C ATOM 723 CE LYS A 49 10.116 14.665 -1.443 1.00 0.00 C ATOM 724 NZ LYS A 49 11.085 14.876 -0.345 1.00 0.00 N ATOM 0 H LYS A 49 6.391 12.715 1.663 1.00 0.00 H new ATOM 0 HA LYS A 49 9.161 13.044 0.646 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.968 14.961 1.396 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.639 15.461 1.231 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.695 13.782 -1.023 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.792 15.275 -0.849 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.573 15.956 -2.222 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.154 16.418 -0.634 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.808 13.620 -1.468 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.590 14.881 -2.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.413 13.955 0.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.897 15.420 -0.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.626 15.401 0.427 1.00 0.00 H new ATOM 738 N ASP A 50 9.667 12.191 3.029 1.00 0.00 N ATOM 739 CA ASP A 50 10.297 12.018 4.327 1.00 0.00 C ATOM 740 C ASP A 50 11.804 11.838 4.137 1.00 0.00 C ATOM 741 O ASP A 50 12.545 11.706 5.110 1.00 0.00 O ATOM 742 CB ASP A 50 9.759 10.776 5.039 1.00 0.00 C ATOM 743 CG ASP A 50 10.685 10.191 6.108 1.00 0.00 C ATOM 744 OD1 ASP A 50 10.745 10.797 7.200 1.00 0.00 O ATOM 745 OD2 ASP A 50 11.312 9.152 5.808 1.00 0.00 O ATOM 0 H ASP A 50 9.806 11.416 2.381 1.00 0.00 H new ATOM 0 HA ASP A 50 10.079 12.901 4.928 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.805 11.027 5.504 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.558 10.007 4.293 1.00 0.00 H new ATOM 750 N ALA A 51 12.214 11.839 2.876 1.00 0.00 N ATOM 751 CA ALA A 51 13.620 11.677 2.546 1.00 0.00 C ATOM 752 C ALA A 51 13.994 10.197 2.641 1.00 0.00 C ATOM 753 O ALA A 51 14.457 9.606 1.666 1.00 0.00 O ATOM 754 CB ALA A 51 14.466 12.553 3.473 1.00 0.00 C ATOM 0 H ALA A 51 11.597 11.949 2.071 1.00 0.00 H new ATOM 0 HA ALA A 51 13.814 12.001 1.524 1.00 0.00 H new ATOM 0 HB1 ALA A 51 15.521 12.432 3.226 1.00 0.00 H new ATOM 0 HB2 ALA A 51 14.181 13.598 3.346 1.00 0.00 H new ATOM 0 HB3 ALA A 51 14.299 12.254 4.508 1.00 0.00 H new ATOM 760 N GLY A 52 13.780 9.639 3.824 1.00 0.00 N ATOM 761 CA GLY A 52 14.090 8.239 4.058 1.00 0.00 C ATOM 762 C GLY A 52 13.592 7.367 2.904 1.00 0.00 C ATOM 763 O GLY A 52 14.121 6.282 2.668 1.00 0.00 O ATOM 0 H GLY A 52 13.396 10.131 4.630 1.00 0.00 H new ATOM 0 HA2 GLY A 52 15.167 8.116 4.173 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.630 7.912 4.990 1.00 0.00 H new ATOM 767 N ILE A 53 12.581 7.874 2.214 1.00 0.00 N ATOM 768 CA ILE A 53 12.006 7.155 1.090 1.00 0.00 C ATOM 769 C ILE A 53 12.663 7.634 -0.206 1.00 0.00 C ATOM 770 O ILE A 53 12.948 8.820 -0.360 1.00 0.00 O ATOM 771 CB ILE A 53 10.481 7.288 1.092 1.00 0.00 C ATOM 772 CG1 ILE A 53 9.888 6.775 2.406 1.00 0.00 C ATOM 773 CG2 ILE A 53 9.869 6.592 -0.125 1.00 0.00 C ATOM 774 CD1 ILE A 53 8.766 7.692 2.896 1.00 0.00 C ATOM 0 H ILE A 53 12.145 8.775 2.412 1.00 0.00 H new ATOM 0 HA ILE A 53 12.210 6.088 1.176 1.00 0.00 H new ATOM 0 HB ILE A 53 10.229 8.346 1.017 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.502 5.765 2.265 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.670 6.715 3.163 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.785 6.701 -0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.258 7.045 -1.037 1.00 0.00 H new ATOM 0 HG23 ILE A 53 10.127 5.533 -0.107 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.362 7.305 3.831 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.161 8.695 3.059 1.00 0.00 H new ATOM 0 HD13 ILE A 53 7.975 7.731 2.147 1.00 0.00 H new ATOM 786 N SER A 54 12.884 6.686 -1.105 1.00 0.00 N ATOM 787 CA SER A 54 13.502 6.995 -2.383 1.00 0.00 C ATOM 788 C SER A 54 12.484 6.825 -3.512 1.00 0.00 C ATOM 789 O SER A 54 11.481 6.132 -3.348 1.00 0.00 O ATOM 790 CB SER A 54 14.725 6.110 -2.632 1.00 0.00 C ATOM 791 OG SER A 54 15.942 6.777 -2.308 1.00 0.00 O ATOM 0 H SER A 54 12.646 5.703 -0.973 1.00 0.00 H new ATOM 0 HA SER A 54 13.837 8.032 -2.359 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.641 5.200 -2.038 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.746 5.806 -3.679 1.00 0.00 H new ATOM 0 HG SER A 54 16.699 6.178 -2.479 1.00 0.00 H new ATOM 797 N THR A 55 12.778 7.468 -4.632 1.00 0.00 N ATOM 798 CA THR A 55 11.900 7.396 -5.788 1.00 0.00 C ATOM 799 C THR A 55 11.340 5.981 -5.945 1.00 0.00 C ATOM 800 O THR A 55 10.127 5.781 -5.905 1.00 0.00 O ATOM 801 CB THR A 55 12.686 7.877 -7.009 1.00 0.00 C ATOM 802 OG1 THR A 55 13.778 6.966 -7.101 1.00 0.00 O ATOM 803 CG2 THR A 55 13.353 9.235 -6.778 1.00 0.00 C ATOM 0 H THR A 55 13.611 8.041 -4.764 1.00 0.00 H new ATOM 0 HA THR A 55 11.032 8.044 -5.666 1.00 0.00 H new ATOM 0 HB THR A 55 12.018 7.941 -7.868 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.339 7.204 -7.869 1.00 0.00 H new ATOM 0 HG21 THR A 55 13.898 9.530 -7.675 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.591 9.981 -6.554 1.00 0.00 H new ATOM 0 HG23 THR A 55 14.046 9.162 -5.940 1.00 0.00 H new ATOM 811 N LYS A 56 12.251 5.035 -6.121 1.00 0.00 N ATOM 812 CA LYS A 56 11.863 3.644 -6.285 1.00 0.00 C ATOM 813 C LYS A 56 12.225 2.866 -5.018 1.00 0.00 C ATOM 814 O LYS A 56 13.122 2.024 -5.037 1.00 0.00 O ATOM 815 CB LYS A 56 12.477 3.063 -7.560 1.00 0.00 C ATOM 816 CG LYS A 56 11.940 3.777 -8.802 1.00 0.00 C ATOM 817 CD LYS A 56 10.511 3.330 -9.117 1.00 0.00 C ATOM 818 CE LYS A 56 9.596 4.536 -9.339 1.00 0.00 C ATOM 819 NZ LYS A 56 8.695 4.299 -10.489 1.00 0.00 N ATOM 0 H LYS A 56 13.256 5.204 -6.154 1.00 0.00 H new ATOM 0 HA LYS A 56 10.784 3.562 -6.413 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.562 3.159 -7.522 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.253 1.998 -7.623 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.961 4.855 -8.643 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.586 3.568 -9.654 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.511 2.700 -10.007 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.127 2.723 -8.297 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.007 4.723 -8.441 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.197 5.428 -9.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.081 5.127 -10.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.261 4.143 -11.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.109 3.460 -10.304 1.00 0.00 H new ATOM 833 N HIS A 57 11.509 3.175 -3.947 1.00 0.00 N ATOM 834 CA HIS A 57 11.743 2.515 -2.674 1.00 0.00 C ATOM 835 C HIS A 57 11.266 1.063 -2.753 1.00 0.00 C ATOM 836 O HIS A 57 12.072 0.137 -2.685 1.00 0.00 O ATOM 837 CB HIS A 57 11.089 3.293 -1.531 1.00 0.00 C ATOM 838 CG HIS A 57 11.372 2.724 -0.160 1.00 0.00 C ATOM 839 ND1 HIS A 57 11.729 3.513 0.919 1.00 0.00 N ATOM 840 CD2 HIS A 57 11.346 1.439 0.294 1.00 0.00 C ATOM 841 CE1 HIS A 57 11.908 2.727 1.971 1.00 0.00 C ATOM 842 NE2 HIS A 57 11.671 1.441 1.581 1.00 0.00 N ATOM 0 H HIS A 57 10.766 3.874 -3.935 1.00 0.00 H new ATOM 0 HA HIS A 57 12.812 2.498 -2.460 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.436 4.326 -1.563 1.00 0.00 H new ATOM 0 HB3 HIS A 57 10.011 3.313 -1.689 1.00 0.00 H new ATOM 0 HD2 HIS A 57 11.102 0.567 -0.294 1.00 0.00 H new ATOM 0 HE1 HIS A 57 12.192 3.048 2.962 1.00 0.00 H new ATOM 0 HE2 HIS A 57 11.733 0.617 2.180 1.00 0.00 H new ATOM 850 N LEU A 58 9.958 0.911 -2.895 1.00 0.00 N ATOM 851 CA LEU A 58 9.363 -0.412 -2.984 1.00 0.00 C ATOM 852 C LEU A 58 8.060 -0.328 -3.781 1.00 0.00 C ATOM 853 O LEU A 58 7.585 0.764 -4.088 1.00 0.00 O ATOM 854 CB LEU A 58 9.193 -1.017 -1.589 1.00 0.00 C ATOM 855 CG LEU A 58 8.465 -0.145 -0.564 1.00 0.00 C ATOM 856 CD1 LEU A 58 7.184 0.445 -1.157 1.00 0.00 C ATOM 857 CD2 LEU A 58 8.194 -0.925 0.725 1.00 0.00 C ATOM 0 H LEU A 58 9.293 1.682 -2.951 1.00 0.00 H new ATOM 0 HA LEU A 58 10.023 -1.092 -3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.651 -1.958 -1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.181 -1.257 -1.196 1.00 0.00 H new ATOM 0 HG LEU A 58 9.114 0.691 -0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.686 1.060 -0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.433 1.058 -2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.519 -0.363 -1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.676 -0.283 1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.574 -1.793 0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.139 -1.256 1.156 1.00 0.00 H new ATOM 869 N ARG A 59 7.520 -1.497 -4.094 1.00 0.00 N ATOM 870 CA ARG A 59 6.281 -1.570 -4.850 1.00 0.00 C ATOM 871 C ARG A 59 5.336 -2.597 -4.223 1.00 0.00 C ATOM 872 O ARG A 59 5.778 -3.636 -3.735 1.00 0.00 O ATOM 873 CB ARG A 59 6.546 -1.954 -6.307 1.00 0.00 C ATOM 874 CG ARG A 59 6.770 -3.461 -6.445 1.00 0.00 C ATOM 875 CD ARG A 59 7.291 -3.813 -7.839 1.00 0.00 C ATOM 876 NE ARG A 59 8.375 -4.816 -7.736 1.00 0.00 N ATOM 877 CZ ARG A 59 8.849 -5.518 -8.774 1.00 0.00 C ATOM 878 NH1 ARG A 59 8.340 -5.331 -9.999 1.00 0.00 N ATOM 879 NH2 ARG A 59 9.834 -6.408 -8.587 1.00 0.00 N ATOM 0 H ARG A 59 7.918 -2.401 -3.838 1.00 0.00 H new ATOM 0 HA ARG A 59 5.819 -0.583 -4.825 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.702 -1.650 -6.926 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.421 -1.418 -6.675 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.482 -3.797 -5.691 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.835 -3.990 -6.258 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.479 -4.205 -8.452 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.661 -2.916 -8.335 1.00 0.00 H new ATOM 0 HE ARG A 59 8.787 -4.983 -6.818 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.591 -4.654 -10.142 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.702 -5.866 -10.789 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.222 -6.551 -7.655 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.195 -6.943 -9.377 1.00 0.00 H new ATOM 893 N ILE A 60 4.052 -2.271 -4.256 1.00 0.00 N ATOM 894 CA ILE A 60 3.042 -3.152 -3.697 1.00 0.00 C ATOM 895 C ILE A 60 2.226 -3.771 -4.834 1.00 0.00 C ATOM 896 O ILE A 60 1.891 -3.092 -5.803 1.00 0.00 O ATOM 897 CB ILE A 60 2.192 -2.407 -2.665 1.00 0.00 C ATOM 898 CG1 ILE A 60 2.951 -2.241 -1.347 1.00 0.00 C ATOM 899 CG2 ILE A 60 0.841 -3.097 -2.466 1.00 0.00 C ATOM 900 CD1 ILE A 60 2.458 -1.012 -0.581 1.00 0.00 C ATOM 0 H ILE A 60 3.688 -1.409 -4.661 1.00 0.00 H new ATOM 0 HA ILE A 60 3.511 -3.974 -3.156 1.00 0.00 H new ATOM 0 HB ILE A 60 1.989 -1.407 -3.048 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.821 -3.133 -0.734 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.018 -2.145 -1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.257 -2.547 -1.728 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.301 -3.119 -3.413 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.001 -4.117 -2.116 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.014 -0.917 0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.612 -0.119 -1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.396 -1.122 -0.361 1.00 0.00 H new ATOM 912 N GLU A 61 1.929 -5.053 -4.677 1.00 0.00 N ATOM 913 CA GLU A 61 1.159 -5.771 -5.678 1.00 0.00 C ATOM 914 C GLU A 61 0.312 -6.859 -5.016 1.00 0.00 C ATOM 915 O GLU A 61 0.589 -7.268 -3.889 1.00 0.00 O ATOM 916 CB GLU A 61 2.074 -6.365 -6.751 1.00 0.00 C ATOM 917 CG GLU A 61 3.219 -7.158 -6.118 1.00 0.00 C ATOM 918 CD GLU A 61 4.543 -6.400 -6.239 1.00 0.00 C ATOM 919 OE1 GLU A 61 4.848 -5.967 -7.371 1.00 0.00 O ATOM 920 OE2 GLU A 61 5.219 -6.270 -5.196 1.00 0.00 O ATOM 0 H GLU A 61 2.208 -5.613 -3.871 1.00 0.00 H new ATOM 0 HA GLU A 61 0.489 -5.065 -6.169 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.496 -7.015 -7.407 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.480 -5.566 -7.371 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.998 -7.346 -5.067 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.306 -8.129 -6.605 1.00 0.00 H new ATOM 927 N SER A 62 -0.704 -7.298 -5.744 1.00 0.00 N ATOM 928 CA SER A 62 -1.594 -8.332 -5.242 1.00 0.00 C ATOM 929 C SER A 62 -1.503 -9.576 -6.126 1.00 0.00 C ATOM 930 O SER A 62 -1.399 -9.468 -7.347 1.00 0.00 O ATOM 931 CB SER A 62 -3.038 -7.831 -5.177 1.00 0.00 C ATOM 932 OG SER A 62 -3.977 -8.879 -5.404 1.00 0.00 O ATOM 0 H SER A 62 -0.931 -6.957 -6.678 1.00 0.00 H new ATOM 0 HA SER A 62 -1.281 -8.590 -4.230 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.223 -7.384 -4.200 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.183 -7.047 -5.920 1.00 0.00 H new ATOM 0 HG SER A 62 -3.991 -9.479 -4.629 1.00 0.00 H new ATOM 938 N ASP A 63 -1.545 -10.730 -5.476 1.00 0.00 N ATOM 939 CA ASP A 63 -1.468 -11.994 -6.189 1.00 0.00 C ATOM 940 C ASP A 63 -2.825 -12.697 -6.119 1.00 0.00 C ATOM 941 O ASP A 63 -3.859 -12.046 -5.974 1.00 0.00 O ATOM 942 CB ASP A 63 -0.424 -12.919 -5.560 1.00 0.00 C ATOM 943 CG ASP A 63 0.371 -13.767 -6.554 1.00 0.00 C ATOM 944 OD1 ASP A 63 1.219 -13.173 -7.256 1.00 0.00 O ATOM 945 OD2 ASP A 63 0.115 -14.990 -6.589 1.00 0.00 O ATOM 0 H ASP A 63 -1.631 -10.816 -4.463 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.187 -11.782 -7.221 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.274 -12.314 -4.982 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.926 -13.585 -4.858 1.00 0.00 H new ATOM 950 N SER A 64 -2.779 -14.017 -6.226 1.00 0.00 N ATOM 951 CA SER A 64 -3.992 -14.815 -6.177 1.00 0.00 C ATOM 952 C SER A 64 -4.895 -14.324 -5.043 1.00 0.00 C ATOM 953 O SER A 64 -4.736 -14.736 -3.895 1.00 0.00 O ATOM 954 CB SER A 64 -3.668 -16.299 -5.993 1.00 0.00 C ATOM 955 OG SER A 64 -3.538 -16.975 -7.240 1.00 0.00 O ATOM 0 H SER A 64 -1.920 -14.554 -6.346 1.00 0.00 H new ATOM 0 HA SER A 64 -4.516 -14.701 -7.126 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.742 -16.401 -5.427 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.454 -16.772 -5.405 1.00 0.00 H new ATOM 0 HG SER A 64 -3.330 -17.919 -7.080 1.00 0.00 H new ATOM 961 N GLY A 65 -5.824 -13.452 -5.406 1.00 0.00 N ATOM 962 CA GLY A 65 -6.754 -12.901 -4.434 1.00 0.00 C ATOM 963 C GLY A 65 -6.060 -12.650 -3.093 1.00 0.00 C ATOM 964 O GLY A 65 -6.567 -13.046 -2.044 1.00 0.00 O ATOM 0 H GLY A 65 -5.953 -13.113 -6.359 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.171 -11.968 -4.812 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.588 -13.588 -4.293 1.00 0.00 H new ATOM 968 N ASN A 66 -4.911 -11.995 -3.171 1.00 0.00 N ATOM 969 CA ASN A 66 -4.143 -11.687 -1.977 1.00 0.00 C ATOM 970 C ASN A 66 -3.242 -10.482 -2.252 1.00 0.00 C ATOM 971 O ASN A 66 -3.039 -10.104 -3.405 1.00 0.00 O ATOM 972 CB ASN A 66 -3.250 -12.864 -1.578 1.00 0.00 C ATOM 973 CG ASN A 66 -4.058 -13.947 -0.861 1.00 0.00 C ATOM 974 OD1 ASN A 66 -4.564 -14.880 -1.461 1.00 0.00 O ATOM 975 ND2 ASN A 66 -4.150 -13.771 0.454 1.00 0.00 N ATOM 0 H ASN A 66 -4.493 -11.669 -4.043 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.845 -11.476 -1.170 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.779 -13.285 -2.466 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.449 -12.513 -0.928 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.669 -14.440 1.023 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.702 -12.967 0.894 1.00 0.00 H new ATOM 982 N TRP A 67 -2.725 -9.911 -1.174 1.00 0.00 N ATOM 983 CA TRP A 67 -1.850 -8.756 -1.285 1.00 0.00 C ATOM 984 C TRP A 67 -0.457 -9.171 -0.807 1.00 0.00 C ATOM 985 O TRP A 67 -0.326 -9.980 0.110 1.00 0.00 O ATOM 986 CB TRP A 67 -2.416 -7.563 -0.513 1.00 0.00 C ATOM 987 CG TRP A 67 -3.668 -6.950 -1.145 1.00 0.00 C ATOM 988 CD1 TRP A 67 -4.950 -7.224 -0.869 1.00 0.00 C ATOM 989 CD2 TRP A 67 -3.704 -5.942 -2.176 1.00 0.00 C ATOM 990 NE1 TRP A 67 -5.807 -6.470 -1.644 1.00 0.00 N ATOM 991 CE2 TRP A 67 -5.025 -5.665 -2.464 1.00 0.00 C ATOM 992 CE3 TRP A 67 -2.655 -5.285 -2.844 1.00 0.00 C ATOM 993 CZ2 TRP A 67 -5.419 -4.727 -3.426 1.00 0.00 C ATOM 994 CZ3 TRP A 67 -3.066 -4.351 -3.802 1.00 0.00 C ATOM 995 CH2 TRP A 67 -4.391 -4.060 -4.104 1.00 0.00 C ATOM 0 H TRP A 67 -2.895 -10.227 -0.219 1.00 0.00 H new ATOM 0 HA TRP A 67 -1.778 -8.424 -2.321 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -2.652 -7.880 0.503 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -1.647 -6.795 -0.437 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -5.272 -7.945 -0.132 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -6.826 -6.498 -1.620 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -1.615 -5.485 -2.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.460 -4.528 -3.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -2.299 -3.819 -4.345 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -4.627 -3.323 -4.858 1.00 0.00 H new ATOM 1006 N VAL A 68 0.549 -8.597 -1.450 1.00 0.00 N ATOM 1007 CA VAL A 68 1.928 -8.896 -1.103 1.00 0.00 C ATOM 1008 C VAL A 68 2.767 -7.623 -1.219 1.00 0.00 C ATOM 1009 O VAL A 68 2.439 -6.727 -1.996 1.00 0.00 O ATOM 1010 CB VAL A 68 2.451 -10.039 -1.975 1.00 0.00 C ATOM 1011 CG1 VAL A 68 1.339 -11.042 -2.290 1.00 0.00 C ATOM 1012 CG2 VAL A 68 3.086 -9.502 -3.260 1.00 0.00 C ATOM 0 H VAL A 68 0.437 -7.926 -2.210 1.00 0.00 H new ATOM 0 HA VAL A 68 1.996 -9.236 -0.070 1.00 0.00 H new ATOM 0 HB VAL A 68 3.224 -10.562 -1.413 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.738 -11.844 -2.911 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.953 -11.461 -1.361 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.534 -10.537 -2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.450 -10.335 -3.862 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.342 -8.942 -3.827 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.919 -8.846 -3.008 1.00 0.00 H new ATOM 1022 N ILE A 69 3.835 -7.582 -0.436 1.00 0.00 N ATOM 1023 CA ILE A 69 4.724 -6.432 -0.442 1.00 0.00 C ATOM 1024 C ILE A 69 6.151 -6.898 -0.738 1.00 0.00 C ATOM 1025 O ILE A 69 6.542 -7.998 -0.350 1.00 0.00 O ATOM 1026 CB ILE A 69 4.592 -5.647 0.865 1.00 0.00 C ATOM 1027 CG1 ILE A 69 5.394 -4.345 0.805 1.00 0.00 C ATOM 1028 CG2 ILE A 69 4.987 -6.508 2.065 1.00 0.00 C ATOM 1029 CD1 ILE A 69 4.637 -3.203 1.486 1.00 0.00 C ATOM 0 H ILE A 69 4.105 -8.326 0.207 1.00 0.00 H new ATOM 0 HA ILE A 69 4.444 -5.738 -1.234 1.00 0.00 H new ATOM 0 HB ILE A 69 3.545 -5.375 0.996 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.360 -4.486 1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.594 -4.085 -0.234 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.884 -5.925 2.980 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.337 -7.382 2.116 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.022 -6.832 1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.229 -2.289 1.429 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.682 -3.049 0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.460 -3.456 2.531 1.00 0.00 H new ATOM 1041 N GLN A 70 6.890 -6.038 -1.422 1.00 0.00 N ATOM 1042 CA GLN A 70 8.266 -6.347 -1.774 1.00 0.00 C ATOM 1043 C GLN A 70 9.135 -5.093 -1.670 1.00 0.00 C ATOM 1044 O GLN A 70 8.814 -4.060 -2.255 1.00 0.00 O ATOM 1045 CB GLN A 70 8.349 -6.957 -3.175 1.00 0.00 C ATOM 1046 CG GLN A 70 9.803 -7.203 -3.581 1.00 0.00 C ATOM 1047 CD GLN A 70 9.886 -7.831 -4.974 1.00 0.00 C ATOM 1048 OE1 GLN A 70 9.117 -7.520 -5.869 1.00 0.00 O ATOM 1049 NE2 GLN A 70 10.858 -8.729 -5.106 1.00 0.00 N ATOM 0 H GLN A 70 6.562 -5.127 -1.742 1.00 0.00 H new ATOM 0 HA GLN A 70 8.644 -7.086 -1.068 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.797 -7.897 -3.200 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.875 -6.290 -3.895 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.352 -6.261 -3.570 1.00 0.00 H new ATOM 0 HG3 GLN A 70 10.281 -7.859 -2.854 1.00 0.00 H new ATOM 0 HE21 GLN A 70 11.466 -8.942 -4.315 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.995 -9.205 -5.998 1.00 0.00 H new ATOM 1058 N ASP A 71 10.220 -5.225 -0.921 1.00 0.00 N ATOM 1059 CA ASP A 71 11.139 -4.115 -0.732 1.00 0.00 C ATOM 1060 C ASP A 71 12.146 -4.091 -1.883 1.00 0.00 C ATOM 1061 O ASP A 71 13.002 -4.969 -1.982 1.00 0.00 O ATOM 1062 CB ASP A 71 11.918 -4.261 0.576 1.00 0.00 C ATOM 1063 CG ASP A 71 13.121 -3.327 0.720 1.00 0.00 C ATOM 1064 OD1 ASP A 71 12.903 -2.100 0.618 1.00 0.00 O ATOM 1065 OD2 ASP A 71 14.233 -3.860 0.928 1.00 0.00 O ATOM 0 H ASP A 71 10.483 -6.084 -0.438 1.00 0.00 H new ATOM 0 HA ASP A 71 10.555 -3.195 -0.702 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.237 -4.083 1.409 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.264 -5.291 0.662 1.00 0.00 H new ATOM 1070 N LEU A 72 12.012 -3.076 -2.724 1.00 0.00 N ATOM 1071 CA LEU A 72 12.900 -2.927 -3.864 1.00 0.00 C ATOM 1072 C LEU A 72 14.248 -2.384 -3.387 1.00 0.00 C ATOM 1073 O LEU A 72 14.722 -1.364 -3.885 1.00 0.00 O ATOM 1074 CB LEU A 72 12.241 -2.070 -4.948 1.00 0.00 C ATOM 1075 CG LEU A 72 11.018 -2.681 -5.635 1.00 0.00 C ATOM 1076 CD1 LEU A 72 10.239 -3.579 -4.671 1.00 0.00 C ATOM 1077 CD2 LEU A 72 10.133 -1.594 -6.248 1.00 0.00 C ATOM 0 H LEU A 72 11.302 -2.349 -2.639 1.00 0.00 H new ATOM 0 HA LEU A 72 13.091 -3.895 -4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.946 -1.120 -4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.987 -1.847 -5.710 1.00 0.00 H new ATOM 0 HG LEU A 72 11.366 -3.312 -6.453 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.375 -4.001 -5.184 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.884 -4.386 -4.324 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.902 -2.991 -3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.271 -2.055 -6.730 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.792 -0.918 -5.464 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.705 -1.033 -6.987 1.00 0.00 H new ATOM 1089 N GLY A 73 14.829 -3.091 -2.429 1.00 0.00 N ATOM 1090 CA GLY A 73 16.114 -2.693 -1.879 1.00 0.00 C ATOM 1091 C GLY A 73 16.275 -1.172 -1.907 1.00 0.00 C ATOM 1092 O GLY A 73 17.101 -0.645 -2.651 1.00 0.00 O ATOM 0 H GLY A 73 14.434 -3.937 -2.019 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.202 -3.053 -0.854 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.918 -3.158 -2.450 1.00 0.00 H new ATOM 1096 N SER A 74 15.473 -0.509 -1.087 1.00 0.00 N ATOM 1097 CA SER A 74 15.516 0.941 -1.009 1.00 0.00 C ATOM 1098 C SER A 74 16.673 1.383 -0.111 1.00 0.00 C ATOM 1099 O SER A 74 16.486 2.193 0.796 1.00 0.00 O ATOM 1100 CB SER A 74 14.193 1.504 -0.486 1.00 0.00 C ATOM 1101 OG SER A 74 14.072 1.357 0.927 1.00 0.00 O ATOM 0 H SER A 74 14.790 -0.949 -0.471 1.00 0.00 H new ATOM 0 HA SER A 74 15.674 1.333 -2.014 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.119 2.559 -0.748 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.363 0.995 -0.976 1.00 0.00 H new ATOM 0 HG SER A 74 13.335 0.744 1.130 1.00 0.00 H new ATOM 1139 N THR A 78 12.492 -2.625 4.167 1.00 0.00 N ATOM 1140 CA THR A 78 11.148 -2.367 4.656 1.00 0.00 C ATOM 1141 C THR A 78 10.849 -3.237 5.879 1.00 0.00 C ATOM 1142 O THR A 78 11.246 -4.400 5.929 1.00 0.00 O ATOM 1143 CB THR A 78 10.173 -2.589 3.499 1.00 0.00 C ATOM 1144 OG1 THR A 78 10.745 -1.859 2.417 1.00 0.00 O ATOM 1145 CG2 THR A 78 8.822 -1.910 3.733 1.00 0.00 C ATOM 0 HA THR A 78 11.042 -1.337 4.996 1.00 0.00 H new ATOM 0 HB THR A 78 10.022 -3.659 3.353 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.720 -1.960 2.434 1.00 0.00 H new ATOM 0 HG21 THR A 78 8.168 -2.099 2.882 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.365 -2.311 4.638 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.969 -0.836 3.846 1.00 0.00 H new ATOM 1153 N LEU A 79 10.151 -2.640 6.834 1.00 0.00 N ATOM 1154 CA LEU A 79 9.794 -3.347 8.052 1.00 0.00 C ATOM 1155 C LEU A 79 8.296 -3.659 8.036 1.00 0.00 C ATOM 1156 O LEU A 79 7.491 -2.834 7.604 1.00 0.00 O ATOM 1157 CB LEU A 79 10.244 -2.555 9.282 1.00 0.00 C ATOM 1158 CG LEU A 79 11.734 -2.628 9.618 1.00 0.00 C ATOM 1159 CD1 LEU A 79 12.126 -1.535 10.615 1.00 0.00 C ATOM 1160 CD2 LEU A 79 12.116 -4.023 10.117 1.00 0.00 C ATOM 0 H LEU A 79 9.823 -1.675 6.789 1.00 0.00 H new ATOM 0 HA LEU A 79 10.318 -4.301 8.106 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.976 -1.509 9.134 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.680 -2.910 10.144 1.00 0.00 H new ATOM 0 HG LEU A 79 12.299 -2.447 8.704 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.191 -1.610 10.837 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.913 -0.557 10.185 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.554 -1.659 11.535 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.181 -4.048 10.349 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.544 -4.258 11.014 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.896 -4.759 9.344 1.00 0.00 H new ATOM 1172 N LEU A 80 7.967 -4.851 8.511 1.00 0.00 N ATOM 1173 CA LEU A 80 6.580 -5.282 8.556 1.00 0.00 C ATOM 1174 C LEU A 80 6.240 -5.745 9.974 1.00 0.00 C ATOM 1175 O LEU A 80 6.686 -6.806 10.408 1.00 0.00 O ATOM 1176 CB LEU A 80 6.312 -6.339 7.483 1.00 0.00 C ATOM 1177 CG LEU A 80 4.842 -6.608 7.159 1.00 0.00 C ATOM 1178 CD1 LEU A 80 4.124 -5.318 6.756 1.00 0.00 C ATOM 1179 CD2 LEU A 80 4.705 -7.697 6.093 1.00 0.00 C ATOM 0 H LEU A 80 8.637 -5.532 8.868 1.00 0.00 H new ATOM 0 HA LEU A 80 5.915 -4.450 8.324 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.815 -6.033 6.566 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.771 -7.275 7.801 1.00 0.00 H new ATOM 0 HG LEU A 80 4.356 -6.979 8.062 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.080 -5.538 6.531 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.175 -4.602 7.576 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.604 -4.895 5.874 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.650 -7.868 5.882 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.211 -7.379 5.181 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.157 -8.620 6.456 1.00 0.00 H new ATOM 1191 N ASN A 81 5.454 -4.926 10.657 1.00 0.00 N ATOM 1192 CA ASN A 81 5.049 -5.239 12.017 1.00 0.00 C ATOM 1193 C ASN A 81 6.277 -5.208 12.930 1.00 0.00 C ATOM 1194 O ASN A 81 6.419 -4.308 13.755 1.00 0.00 O ATOM 1195 CB ASN A 81 4.432 -6.636 12.101 1.00 0.00 C ATOM 1196 CG ASN A 81 3.229 -6.761 11.164 1.00 0.00 C ATOM 1197 OD1 ASN A 81 2.175 -6.187 11.385 1.00 0.00 O ATOM 1198 ND2 ASN A 81 3.443 -7.542 10.109 1.00 0.00 N ATOM 0 H ASN A 81 5.087 -4.046 10.294 1.00 0.00 H new ATOM 0 HA ASN A 81 4.310 -4.500 12.327 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.180 -7.384 11.840 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.122 -6.840 13.126 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.701 -7.690 9.425 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.349 -7.993 9.984 1.00 0.00 H new ATOM 1205 N SER A 82 7.133 -6.204 12.750 1.00 0.00 N ATOM 1206 CA SER A 82 8.344 -6.303 13.546 1.00 0.00 C ATOM 1207 C SER A 82 9.330 -7.265 12.882 1.00 0.00 C ATOM 1208 O SER A 82 9.763 -8.238 13.497 1.00 0.00 O ATOM 1209 CB SER A 82 8.030 -6.764 14.971 1.00 0.00 C ATOM 1210 OG SER A 82 7.787 -5.666 15.846 1.00 0.00 O ATOM 0 H SER A 82 7.011 -6.949 12.064 1.00 0.00 H new ATOM 0 HA SER A 82 8.797 -5.313 13.605 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.157 -7.416 14.957 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.863 -7.354 15.353 1.00 0.00 H new ATOM 0 HG SER A 82 7.288 -4.971 15.368 1.00 0.00 H new ATOM 1216 N ASN A 83 9.657 -6.960 11.634 1.00 0.00 N ATOM 1217 CA ASN A 83 10.584 -7.786 10.880 1.00 0.00 C ATOM 1218 C ASN A 83 10.959 -7.069 9.582 1.00 0.00 C ATOM 1219 O ASN A 83 10.098 -6.506 8.908 1.00 0.00 O ATOM 1220 CB ASN A 83 9.950 -9.130 10.512 1.00 0.00 C ATOM 1221 CG ASN A 83 10.789 -10.295 11.041 1.00 0.00 C ATOM 1222 OD1 ASN A 83 11.988 -10.190 11.240 1.00 0.00 O ATOM 1223 ND2 ASN A 83 10.093 -11.408 11.256 1.00 0.00 N ATOM 0 H ASN A 83 9.296 -6.152 11.127 1.00 0.00 H new ATOM 0 HA ASN A 83 11.463 -7.960 11.501 1.00 0.00 H new ATOM 0 HB2 ASN A 83 8.943 -9.186 10.924 1.00 0.00 H new ATOM 0 HB3 ASN A 83 9.856 -9.207 9.429 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.562 -12.242 11.609 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.091 -11.427 11.068 1.00 0.00 H new ATOM 1230 N ALA A 84 12.246 -7.113 9.270 1.00 0.00 N ATOM 1231 CA ALA A 84 12.746 -6.474 8.064 1.00 0.00 C ATOM 1232 C ALA A 84 12.469 -7.377 6.861 1.00 0.00 C ATOM 1233 O ALA A 84 12.960 -8.503 6.799 1.00 0.00 O ATOM 1234 CB ALA A 84 14.235 -6.165 8.230 1.00 0.00 C ATOM 0 H ALA A 84 12.958 -7.581 9.831 1.00 0.00 H new ATOM 0 HA ALA A 84 12.234 -5.528 7.891 1.00 0.00 H new ATOM 0 HB1 ALA A 84 14.610 -5.686 7.326 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.375 -5.497 9.080 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.782 -7.092 8.403 1.00 0.00 H new ATOM 1240 N LEU A 85 11.682 -6.850 5.934 1.00 0.00 N ATOM 1241 CA LEU A 85 11.333 -7.595 4.736 1.00 0.00 C ATOM 1242 C LEU A 85 12.593 -7.823 3.898 1.00 0.00 C ATOM 1243 O LEU A 85 13.638 -7.234 4.170 1.00 0.00 O ATOM 1244 CB LEU A 85 10.208 -6.890 3.976 1.00 0.00 C ATOM 1245 CG LEU A 85 8.931 -6.615 4.771 1.00 0.00 C ATOM 1246 CD1 LEU A 85 8.004 -5.665 4.010 1.00 0.00 C ATOM 1247 CD2 LEU A 85 8.228 -7.921 5.148 1.00 0.00 C ATOM 0 H LEU A 85 11.276 -5.916 5.989 1.00 0.00 H new ATOM 0 HA LEU A 85 10.942 -8.578 4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.590 -5.941 3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.948 -7.495 3.108 1.00 0.00 H new ATOM 0 HG LEU A 85 9.208 -6.118 5.700 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.104 -5.487 4.598 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.517 -4.719 3.835 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.730 -6.112 3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.323 -7.697 5.713 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.965 -8.467 4.242 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.895 -8.530 5.758 1.00 0.00 H new ATOM 1259 N ASP A 86 12.452 -8.679 2.897 1.00 0.00 N ATOM 1260 CA ASP A 86 13.565 -8.993 2.018 1.00 0.00 C ATOM 1261 C ASP A 86 13.222 -8.557 0.592 1.00 0.00 C ATOM 1262 O ASP A 86 12.067 -8.632 0.177 1.00 0.00 O ATOM 1263 CB ASP A 86 13.845 -10.497 1.998 1.00 0.00 C ATOM 1264 CG ASP A 86 15.312 -10.885 2.194 1.00 0.00 C ATOM 1265 OD1 ASP A 86 15.909 -10.375 3.167 1.00 0.00 O ATOM 1266 OD2 ASP A 86 15.803 -11.683 1.367 1.00 0.00 O ATOM 0 H ASP A 86 11.583 -9.165 2.675 1.00 0.00 H new ATOM 0 HA ASP A 86 14.445 -8.468 2.389 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.252 -10.972 2.779 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.502 -10.902 1.046 1.00 0.00 H new ATOM 1271 N PRO A 87 14.274 -8.098 -0.137 1.00 0.00 N ATOM 1272 CA PRO A 87 14.096 -7.650 -1.508 1.00 0.00 C ATOM 1273 C PRO A 87 13.913 -8.839 -2.454 1.00 0.00 C ATOM 1274 O PRO A 87 13.256 -8.719 -3.487 1.00 0.00 O ATOM 1275 CB PRO A 87 15.337 -6.830 -1.818 1.00 0.00 C ATOM 1276 CG PRO A 87 16.373 -7.232 -0.781 1.00 0.00 C ATOM 1277 CD PRO A 87 15.657 -7.995 0.321 1.00 0.00 C ATOM 0 HA PRO A 87 13.195 -7.051 -1.641 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.696 -7.032 -2.827 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.123 -5.763 -1.763 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.146 -7.852 -1.234 1.00 0.00 H new ATOM 0 HG3 PRO A 87 16.869 -6.350 -0.375 1.00 0.00 H new ATOM 0 HD2 PRO A 87 16.099 -8.980 0.472 1.00 0.00 H new ATOM 0 HD3 PRO A 87 15.721 -7.468 1.273 1.00 0.00 H new ATOM 1285 N GLU A 88 14.507 -9.958 -2.068 1.00 0.00 N ATOM 1286 CA GLU A 88 14.418 -11.168 -2.868 1.00 0.00 C ATOM 1287 C GLU A 88 13.287 -12.062 -2.355 1.00 0.00 C ATOM 1288 O GLU A 88 13.129 -13.193 -2.813 1.00 0.00 O ATOM 1289 CB GLU A 88 15.750 -11.919 -2.877 1.00 0.00 C ATOM 1290 CG GLU A 88 16.846 -11.084 -3.543 1.00 0.00 C ATOM 1291 CD GLU A 88 17.927 -11.982 -4.150 1.00 0.00 C ATOM 1292 OE1 GLU A 88 18.481 -12.800 -3.384 1.00 0.00 O ATOM 1293 OE2 GLU A 88 18.174 -11.829 -5.366 1.00 0.00 O ATOM 0 H GLU A 88 15.052 -10.053 -1.211 1.00 0.00 H new ATOM 0 HA GLU A 88 14.192 -10.884 -3.896 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.042 -12.160 -1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.635 -12.864 -3.407 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.409 -10.458 -4.321 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.294 -10.414 -2.809 1.00 0.00 H new ATOM 1300 N THR A 89 12.530 -11.522 -1.411 1.00 0.00 N ATOM 1301 CA THR A 89 11.419 -12.257 -0.831 1.00 0.00 C ATOM 1302 C THR A 89 10.190 -11.355 -0.706 1.00 0.00 C ATOM 1303 O THR A 89 10.300 -10.205 -0.281 1.00 0.00 O ATOM 1304 CB THR A 89 11.884 -12.840 0.505 1.00 0.00 C ATOM 1305 OG1 THR A 89 13.186 -13.348 0.228 1.00 0.00 O ATOM 1306 CG2 THR A 89 11.082 -14.076 0.916 1.00 0.00 C ATOM 0 H THR A 89 12.664 -10.584 -1.033 1.00 0.00 H new ATOM 0 HA THR A 89 11.113 -13.083 -1.473 1.00 0.00 H new ATOM 0 HB THR A 89 11.801 -12.079 1.281 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.563 -13.743 1.042 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.453 -14.449 1.871 1.00 0.00 H new ATOM 0 HG22 THR A 89 10.029 -13.811 1.014 1.00 0.00 H new ATOM 0 HG23 THR A 89 11.192 -14.850 0.156 1.00 0.00 H new ATOM 1314 N SER A 90 9.048 -11.909 -1.083 1.00 0.00 N ATOM 1315 CA SER A 90 7.799 -11.169 -1.018 1.00 0.00 C ATOM 1316 C SER A 90 6.867 -11.804 0.015 1.00 0.00 C ATOM 1317 O SER A 90 6.607 -13.005 -0.033 1.00 0.00 O ATOM 1318 CB SER A 90 7.118 -11.117 -2.387 1.00 0.00 C ATOM 1319 OG SER A 90 6.777 -9.786 -2.764 1.00 0.00 O ATOM 0 H SER A 90 8.961 -12.862 -1.435 1.00 0.00 H new ATOM 0 HA SER A 90 8.023 -10.146 -0.715 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.780 -11.548 -3.138 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.217 -11.730 -2.367 1.00 0.00 H new ATOM 0 HG SER A 90 6.612 -9.250 -1.960 1.00 0.00 H new ATOM 1325 N VAL A 91 6.389 -10.969 0.927 1.00 0.00 N ATOM 1326 CA VAL A 91 5.492 -11.434 1.970 1.00 0.00 C ATOM 1327 C VAL A 91 4.063 -10.998 1.640 1.00 0.00 C ATOM 1328 O VAL A 91 3.858 -9.978 0.983 1.00 0.00 O ATOM 1329 CB VAL A 91 5.970 -10.932 3.334 1.00 0.00 C ATOM 1330 CG1 VAL A 91 5.282 -11.692 4.470 1.00 0.00 C ATOM 1331 CG2 VAL A 91 7.492 -11.032 3.452 1.00 0.00 C ATOM 0 H VAL A 91 6.607 -9.973 0.964 1.00 0.00 H new ATOM 0 HA VAL A 91 5.496 -12.523 2.020 1.00 0.00 H new ATOM 0 HB VAL A 91 5.695 -9.881 3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.640 -11.316 5.428 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.204 -11.548 4.403 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.512 -12.754 4.389 1.00 0.00 H new ATOM 0 HG21 VAL A 91 7.806 -10.669 4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.798 -12.071 3.335 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.958 -10.427 2.674 1.00 0.00 H new ATOM 1341 N ASN A 92 3.112 -11.791 2.111 1.00 0.00 N ATOM 1342 CA ASN A 92 1.708 -11.499 1.874 1.00 0.00 C ATOM 1343 C ASN A 92 1.197 -10.556 2.964 1.00 0.00 C ATOM 1344 O ASN A 92 1.103 -10.940 4.129 1.00 0.00 O ATOM 1345 CB ASN A 92 0.865 -12.775 1.919 1.00 0.00 C ATOM 1346 CG ASN A 92 0.858 -13.476 0.559 1.00 0.00 C ATOM 1347 OD1 ASN A 92 -0.155 -13.569 -0.115 1.00 0.00 O ATOM 1348 ND2 ASN A 92 2.041 -13.963 0.195 1.00 0.00 N ATOM 0 H ASN A 92 3.286 -12.636 2.656 1.00 0.00 H new ATOM 0 HA ASN A 92 1.620 -11.043 0.888 1.00 0.00 H new ATOM 0 HB2 ASN A 92 1.261 -13.450 2.678 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -0.156 -12.530 2.211 1.00 0.00 H new ATOM 0 HD21 ASN A 92 2.140 -14.449 -0.696 1.00 0.00 H new ATOM 0 HD22 ASN A 92 2.849 -13.850 0.807 1.00 0.00 H new ATOM 1355 N LEU A 93 0.880 -9.338 2.548 1.00 0.00 N ATOM 1356 CA LEU A 93 0.381 -8.337 3.475 1.00 0.00 C ATOM 1357 C LEU A 93 -0.764 -8.934 4.296 1.00 0.00 C ATOM 1358 O LEU A 93 -1.316 -9.972 3.935 1.00 0.00 O ATOM 1359 CB LEU A 93 -0.001 -7.058 2.727 1.00 0.00 C ATOM 1360 CG LEU A 93 1.164 -6.187 2.250 1.00 0.00 C ATOM 1361 CD1 LEU A 93 0.714 -5.225 1.148 1.00 0.00 C ATOM 1362 CD2 LEU A 93 1.814 -5.451 3.423 1.00 0.00 C ATOM 0 H LEU A 93 0.959 -9.022 1.581 1.00 0.00 H new ATOM 0 HA LEU A 93 1.161 -8.047 4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.602 -7.333 1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.636 -6.456 3.377 1.00 0.00 H new ATOM 0 HG LEU A 93 1.924 -6.839 1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.560 -4.618 0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.334 -5.795 0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.073 -4.576 1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.639 -4.839 3.057 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.075 -4.812 3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.192 -6.177 4.143 1.00 0.00 H new ATOM 1374 N GLY A 94 -1.087 -8.252 5.385 1.00 0.00 N ATOM 1375 CA GLY A 94 -2.156 -8.702 6.260 1.00 0.00 C ATOM 1376 C GLY A 94 -2.870 -7.514 6.909 1.00 0.00 C ATOM 1377 O GLY A 94 -2.286 -6.442 7.060 1.00 0.00 O ATOM 0 H GLY A 94 -0.627 -7.391 5.681 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -2.872 -9.294 5.690 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -1.748 -9.353 7.034 1.00 0.00 H new ATOM 1381 N ASP A 95 -4.122 -7.745 7.274 1.00 0.00 N ATOM 1382 CA ASP A 95 -4.922 -6.708 7.903 1.00 0.00 C ATOM 1383 C ASP A 95 -4.342 -6.388 9.282 1.00 0.00 C ATOM 1384 O ASP A 95 -4.360 -7.231 10.178 1.00 0.00 O ATOM 1385 CB ASP A 95 -6.369 -7.168 8.094 1.00 0.00 C ATOM 1386 CG ASP A 95 -7.133 -6.452 9.209 1.00 0.00 C ATOM 1387 OD1 ASP A 95 -7.032 -5.207 9.257 1.00 0.00 O ATOM 1388 OD2 ASP A 95 -7.800 -7.165 9.989 1.00 0.00 O ATOM 0 H ASP A 95 -4.603 -8.636 7.146 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.905 -5.831 7.256 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.906 -7.026 7.156 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -6.370 -8.238 8.303 1.00 0.00 H new ATOM 1393 N GLY A 96 -3.840 -5.168 9.409 1.00 0.00 N ATOM 1394 CA GLY A 96 -3.256 -4.727 10.664 1.00 0.00 C ATOM 1395 C GLY A 96 -1.727 -4.768 10.601 1.00 0.00 C ATOM 1396 O GLY A 96 -1.059 -4.719 11.633 1.00 0.00 O ATOM 0 H GLY A 96 -3.826 -4.472 8.664 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.587 -3.713 10.887 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.607 -5.363 11.476 1.00 0.00 H new ATOM 1400 N ASP A 97 -1.219 -4.858 9.381 1.00 0.00 N ATOM 1401 CA ASP A 97 0.218 -4.906 9.171 1.00 0.00 C ATOM 1402 C ASP A 97 0.761 -3.480 9.058 1.00 0.00 C ATOM 1403 O ASP A 97 0.293 -2.698 8.232 1.00 0.00 O ATOM 1404 CB ASP A 97 0.560 -5.646 7.876 1.00 0.00 C ATOM 1405 CG ASP A 97 0.174 -7.127 7.856 1.00 0.00 C ATOM 1406 OD1 ASP A 97 -0.748 -7.483 8.620 1.00 0.00 O ATOM 1407 OD2 ASP A 97 0.811 -7.868 7.077 1.00 0.00 O ATOM 0 H ASP A 97 -1.777 -4.899 8.528 1.00 0.00 H new ATOM 0 HA ASP A 97 0.665 -5.430 10.016 1.00 0.00 H new ATOM 0 HB2 ASP A 97 0.061 -5.145 7.046 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.633 -5.563 7.700 1.00 0.00 H new ATOM 1412 N VAL A 98 1.740 -3.186 9.900 1.00 0.00 N ATOM 1413 CA VAL A 98 2.352 -1.868 9.906 1.00 0.00 C ATOM 1414 C VAL A 98 3.629 -1.900 9.065 1.00 0.00 C ATOM 1415 O VAL A 98 4.524 -2.705 9.319 1.00 0.00 O ATOM 1416 CB VAL A 98 2.595 -1.410 11.345 1.00 0.00 C ATOM 1417 CG1 VAL A 98 3.683 -0.336 11.402 1.00 0.00 C ATOM 1418 CG2 VAL A 98 1.299 -0.912 11.989 1.00 0.00 C ATOM 0 H VAL A 98 2.125 -3.838 10.583 1.00 0.00 H new ATOM 0 HA VAL A 98 1.684 -1.135 9.455 1.00 0.00 H new ATOM 0 HB VAL A 98 2.943 -2.271 11.916 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.836 -0.028 12.436 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.613 -0.739 11.002 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.376 0.525 10.809 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.500 -0.593 13.012 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.908 -0.071 11.416 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.565 -1.717 11.998 1.00 0.00 H new ATOM 1428 N ILE A 99 3.674 -1.015 8.080 1.00 0.00 N ATOM 1429 CA ILE A 99 4.827 -0.932 7.200 1.00 0.00 C ATOM 1430 C ILE A 99 5.666 0.290 7.580 1.00 0.00 C ATOM 1431 O ILE A 99 5.276 1.424 7.305 1.00 0.00 O ATOM 1432 CB ILE A 99 4.385 -0.943 5.735 1.00 0.00 C ATOM 1433 CG1 ILE A 99 3.402 -2.085 5.468 1.00 0.00 C ATOM 1434 CG2 ILE A 99 5.594 -0.996 4.798 1.00 0.00 C ATOM 1435 CD1 ILE A 99 2.688 -1.891 4.129 1.00 0.00 C ATOM 0 H ILE A 99 2.930 -0.349 7.872 1.00 0.00 H new ATOM 0 HA ILE A 99 5.464 -1.808 7.323 1.00 0.00 H new ATOM 0 HB ILE A 99 3.859 -0.011 5.529 1.00 0.00 H new ATOM 0 HG12 ILE A 99 3.935 -3.036 5.466 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.668 -2.133 6.272 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.252 -1.003 3.763 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.223 -0.122 4.966 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.169 -1.901 4.996 1.00 0.00 H new ATOM 0 HD11 ILE A 99 1.995 -2.716 3.963 1.00 0.00 H new ATOM 0 HD12 ILE A 99 2.136 -0.951 4.144 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.423 -1.867 3.325 1.00 0.00 H new ATOM 1447 N LYS A 100 6.802 0.017 8.205 1.00 0.00 N ATOM 1448 CA LYS A 100 7.699 1.081 8.625 1.00 0.00 C ATOM 1449 C LYS A 100 8.798 1.258 7.576 1.00 0.00 C ATOM 1450 O LYS A 100 9.718 0.446 7.492 1.00 0.00 O ATOM 1451 CB LYS A 100 8.231 0.807 10.033 1.00 0.00 C ATOM 1452 CG LYS A 100 7.388 1.528 11.087 1.00 0.00 C ATOM 1453 CD LYS A 100 7.565 0.886 12.464 1.00 0.00 C ATOM 1454 CE LYS A 100 7.204 -0.600 12.427 1.00 0.00 C ATOM 1455 NZ LYS A 100 6.424 -0.974 13.628 1.00 0.00 N ATOM 0 H LYS A 100 7.122 -0.925 8.431 1.00 0.00 H new ATOM 0 HA LYS A 100 7.164 2.028 8.690 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.222 -0.266 10.227 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.268 1.135 10.104 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.676 2.578 11.132 1.00 0.00 H new ATOM 0 HG3 LYS A 100 6.337 1.498 10.800 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.597 1.005 12.795 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.936 1.399 13.192 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.626 -0.818 11.529 1.00 0.00 H new ATOM 0 HE3 LYS A 100 8.113 -1.200 12.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.158 -1.978 13.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 7.000 -0.817 14.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.564 -0.391 13.679 1.00 0.00 H new ATOM 1469 N LEU A 101 8.667 2.326 6.803 1.00 0.00 N ATOM 1470 CA LEU A 101 9.638 2.621 5.763 1.00 0.00 C ATOM 1471 C LEU A 101 10.161 4.047 5.949 1.00 0.00 C ATOM 1472 O LEU A 101 9.537 4.856 6.633 1.00 0.00 O ATOM 1473 CB LEU A 101 9.037 2.362 4.380 1.00 0.00 C ATOM 1474 CG LEU A 101 7.966 3.351 3.917 1.00 0.00 C ATOM 1475 CD1 LEU A 101 8.067 3.605 2.412 1.00 0.00 C ATOM 1476 CD2 LEU A 101 6.570 2.878 4.326 1.00 0.00 C ATOM 0 H LEU A 101 7.903 2.998 6.876 1.00 0.00 H new ATOM 0 HA LEU A 101 10.496 1.953 5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.845 2.364 3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.605 1.361 4.375 1.00 0.00 H new ATOM 0 HG LEU A 101 8.143 4.304 4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.294 4.312 2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.048 4.018 2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.931 2.666 1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.827 3.599 3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.368 1.907 3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.519 2.790 5.411 1.00 0.00 H new ATOM 1488 N GLY A 102 11.301 4.311 5.327 1.00 0.00 N ATOM 1489 CA GLY A 102 11.915 5.625 5.415 1.00 0.00 C ATOM 1490 C GLY A 102 12.526 5.852 6.799 1.00 0.00 C ATOM 1491 O GLY A 102 13.254 5.001 7.308 1.00 0.00 O ATOM 0 H GLY A 102 11.815 3.637 4.760 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.687 5.721 4.652 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.169 6.393 5.212 1.00 0.00 H new ATOM 1495 N GLU A 103 12.209 7.005 7.369 1.00 0.00 N ATOM 1496 CA GLU A 103 12.718 7.356 8.684 1.00 0.00 C ATOM 1497 C GLU A 103 11.640 7.135 9.747 1.00 0.00 C ATOM 1498 O GLU A 103 11.792 6.285 10.623 1.00 0.00 O ATOM 1499 CB GLU A 103 13.225 8.799 8.709 1.00 0.00 C ATOM 1500 CG GLU A 103 14.203 9.057 7.561 1.00 0.00 C ATOM 1501 CD GLU A 103 15.175 10.185 7.912 1.00 0.00 C ATOM 1502 OE1 GLU A 103 14.786 11.355 7.703 1.00 0.00 O ATOM 1503 OE2 GLU A 103 16.285 9.853 8.380 1.00 0.00 O ATOM 0 H GLU A 103 11.605 7.709 6.944 1.00 0.00 H new ATOM 0 HA GLU A 103 13.563 6.705 8.910 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.382 9.486 8.634 1.00 0.00 H new ATOM 0 HB3 GLU A 103 13.716 8.999 9.661 1.00 0.00 H new ATOM 0 HG2 GLU A 103 14.761 8.146 7.342 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.650 9.317 6.658 1.00 0.00 H new ATOM 1510 N TYR A 104 10.575 7.915 9.635 1.00 0.00 N ATOM 1511 CA TYR A 104 9.472 7.815 10.575 1.00 0.00 C ATOM 1512 C TYR A 104 8.131 7.733 9.842 1.00 0.00 C ATOM 1513 O TYR A 104 7.195 8.461 10.169 1.00 0.00 O ATOM 1514 CB TYR A 104 9.508 9.100 11.405 1.00 0.00 C ATOM 1515 CG TYR A 104 10.679 9.173 12.387 1.00 0.00 C ATOM 1516 CD1 TYR A 104 10.613 8.501 13.591 1.00 0.00 C ATOM 1517 CD2 TYR A 104 11.800 9.912 12.070 1.00 0.00 C ATOM 1518 CE1 TYR A 104 11.715 8.570 14.515 1.00 0.00 C ATOM 1519 CE2 TYR A 104 12.902 9.982 12.994 1.00 0.00 C ATOM 1520 CZ TYR A 104 12.805 9.307 14.171 1.00 0.00 C ATOM 1521 OH TYR A 104 13.846 9.373 15.044 1.00 0.00 O ATOM 0 H TYR A 104 10.453 8.619 8.907 1.00 0.00 H new ATOM 0 HA TYR A 104 9.570 6.918 11.187 1.00 0.00 H new ATOM 0 HB2 TYR A 104 9.559 9.955 10.731 1.00 0.00 H new ATOM 0 HB3 TYR A 104 8.575 9.188 11.961 1.00 0.00 H new ATOM 0 HD1 TYR A 104 9.735 7.924 13.840 1.00 0.00 H new ATOM 0 HD2 TYR A 104 11.851 10.438 11.128 1.00 0.00 H new ATOM 0 HE1 TYR A 104 11.677 8.048 15.460 1.00 0.00 H new ATOM 0 HE2 TYR A 104 13.785 10.557 12.758 1.00 0.00 H new ATOM 0 HH TYR A 104 14.555 9.933 14.665 1.00 0.00 H new ATOM 1531 N THR A 105 8.082 6.841 8.864 1.00 0.00 N ATOM 1532 CA THR A 105 6.872 6.655 8.081 1.00 0.00 C ATOM 1533 C THR A 105 6.325 5.239 8.273 1.00 0.00 C ATOM 1534 O THR A 105 6.997 4.261 7.947 1.00 0.00 O ATOM 1535 CB THR A 105 7.195 6.989 6.623 1.00 0.00 C ATOM 1536 OG1 THR A 105 7.289 8.411 6.606 1.00 0.00 O ATOM 1537 CG2 THR A 105 6.031 6.681 5.680 1.00 0.00 C ATOM 0 H THR A 105 8.861 6.239 8.596 1.00 0.00 H new ATOM 0 HA THR A 105 6.079 7.324 8.414 1.00 0.00 H new ATOM 0 HB THR A 105 8.075 6.428 6.308 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.795 8.696 5.817 1.00 0.00 H new ATOM 0 HG21 THR A 105 6.313 6.936 4.659 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.789 5.620 5.735 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.160 7.267 5.973 1.00 0.00 H new ATOM 1545 N SER A 106 5.112 5.174 8.801 1.00 0.00 N ATOM 1546 CA SER A 106 4.468 3.894 9.041 1.00 0.00 C ATOM 1547 C SER A 106 3.144 3.824 8.277 1.00 0.00 C ATOM 1548 O SER A 106 2.354 4.767 8.308 1.00 0.00 O ATOM 1549 CB SER A 106 4.231 3.667 10.535 1.00 0.00 C ATOM 1550 OG SER A 106 5.443 3.723 11.282 1.00 0.00 O ATOM 0 H SER A 106 4.558 5.987 9.069 1.00 0.00 H new ATOM 0 HA SER A 106 5.130 3.106 8.683 1.00 0.00 H new ATOM 0 HB2 SER A 106 3.538 4.420 10.911 1.00 0.00 H new ATOM 0 HB3 SER A 106 3.758 2.696 10.684 1.00 0.00 H new ATOM 0 HG SER A 106 5.249 3.575 12.231 1.00 0.00 H new ATOM 1556 N ILE A 107 2.941 2.698 7.609 1.00 0.00 N ATOM 1557 CA ILE A 107 1.727 2.492 6.839 1.00 0.00 C ATOM 1558 C ILE A 107 0.994 1.258 7.369 1.00 0.00 C ATOM 1559 O ILE A 107 1.581 0.183 7.481 1.00 0.00 O ATOM 1560 CB ILE A 107 2.045 2.422 5.344 1.00 0.00 C ATOM 1561 CG1 ILE A 107 2.977 3.563 4.928 1.00 0.00 C ATOM 1562 CG2 ILE A 107 0.763 2.397 4.510 1.00 0.00 C ATOM 1563 CD1 ILE A 107 3.255 3.523 3.424 1.00 0.00 C ATOM 0 H ILE A 107 3.598 1.918 7.585 1.00 0.00 H new ATOM 0 HA ILE A 107 1.053 3.340 6.959 1.00 0.00 H new ATOM 0 HB ILE A 107 2.572 1.488 5.151 1.00 0.00 H new ATOM 0 HG12 ILE A 107 2.527 4.520 5.193 1.00 0.00 H new ATOM 0 HG13 ILE A 107 3.916 3.489 5.477 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.018 2.347 3.452 1.00 0.00 H new ATOM 0 HG22 ILE A 107 0.169 1.524 4.781 1.00 0.00 H new ATOM 0 HG23 ILE A 107 0.186 3.302 4.702 1.00 0.00 H new ATOM 0 HD11 ILE A 107 3.919 4.344 3.155 1.00 0.00 H new ATOM 0 HD12 ILE A 107 3.727 2.575 3.166 1.00 0.00 H new ATOM 0 HD13 ILE A 107 2.317 3.622 2.878 1.00 0.00 H new ATOM 1575 N LEU A 108 -0.278 1.455 7.683 1.00 0.00 N ATOM 1576 CA LEU A 108 -1.098 0.371 8.200 1.00 0.00 C ATOM 1577 C LEU A 108 -1.888 -0.257 7.050 1.00 0.00 C ATOM 1578 O LEU A 108 -2.428 0.452 6.203 1.00 0.00 O ATOM 1579 CB LEU A 108 -1.975 0.865 9.351 1.00 0.00 C ATOM 1580 CG LEU A 108 -3.274 0.091 9.584 1.00 0.00 C ATOM 1581 CD1 LEU A 108 -2.988 -1.376 9.911 1.00 0.00 C ATOM 1582 CD2 LEU A 108 -4.127 0.762 10.663 1.00 0.00 C ATOM 0 H LEU A 108 -0.761 2.348 7.590 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.471 -0.414 8.623 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.387 0.834 10.268 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.226 1.910 9.168 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.851 0.108 8.660 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.928 -1.903 10.072 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.452 -1.836 9.081 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.380 -1.436 10.813 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -5.044 0.191 10.809 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -3.569 0.797 11.599 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.376 1.776 10.351 1.00 0.00 H new ATOM 1594 N VAL A 109 -1.930 -1.582 7.058 1.00 0.00 N ATOM 1595 CA VAL A 109 -2.645 -2.314 6.027 1.00 0.00 C ATOM 1596 C VAL A 109 -4.001 -2.765 6.575 1.00 0.00 C ATOM 1597 O VAL A 109 -4.063 -3.487 7.569 1.00 0.00 O ATOM 1598 CB VAL A 109 -1.788 -3.476 5.520 1.00 0.00 C ATOM 1599 CG1 VAL A 109 -2.587 -4.373 4.573 1.00 0.00 C ATOM 1600 CG2 VAL A 109 -0.514 -2.963 4.846 1.00 0.00 C ATOM 0 H VAL A 109 -1.480 -2.167 7.762 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.839 -1.672 5.168 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.493 -4.076 6.381 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.955 -5.191 4.227 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -3.451 -4.779 5.099 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.925 -3.789 3.717 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.077 -3.808 4.495 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.780 -2.329 4.000 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.069 -2.385 5.563 1.00 0.00 H new ATOM 1610 N ASN A 110 -5.052 -2.322 5.902 1.00 0.00 N ATOM 1611 CA ASN A 110 -6.403 -2.672 6.309 1.00 0.00 C ATOM 1612 C ASN A 110 -7.170 -3.215 5.102 1.00 0.00 C ATOM 1613 O ASN A 110 -7.291 -2.537 4.083 1.00 0.00 O ATOM 1614 CB ASN A 110 -7.154 -1.447 6.834 1.00 0.00 C ATOM 1615 CG ASN A 110 -7.360 -1.538 8.348 1.00 0.00 C ATOM 1616 OD1 ASN A 110 -8.446 -1.335 8.865 1.00 0.00 O ATOM 1617 ND2 ASN A 110 -6.261 -1.854 9.026 1.00 0.00 N ATOM 0 H ASN A 110 -4.996 -1.724 5.078 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.334 -3.420 7.099 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -6.595 -0.543 6.593 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -8.120 -1.367 6.336 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -6.295 -1.940 10.042 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -5.383 -2.011 8.530 1.00 0.00 H new ATOM 1624 N PHE A 111 -7.668 -4.433 5.257 1.00 0.00 N ATOM 1625 CA PHE A 111 -8.420 -5.075 4.192 1.00 0.00 C ATOM 1626 C PHE A 111 -9.884 -4.629 4.209 1.00 0.00 C ATOM 1627 O PHE A 111 -10.629 -4.968 5.127 1.00 0.00 O ATOM 1628 CB PHE A 111 -8.356 -6.582 4.445 1.00 0.00 C ATOM 1629 CG PHE A 111 -6.993 -7.207 4.138 1.00 0.00 C ATOM 1630 CD1 PHE A 111 -6.285 -6.794 3.054 1.00 0.00 C ATOM 1631 CD2 PHE A 111 -6.491 -8.176 4.950 1.00 0.00 C ATOM 1632 CE1 PHE A 111 -5.020 -7.374 2.769 1.00 0.00 C ATOM 1633 CE2 PHE A 111 -5.227 -8.756 4.665 1.00 0.00 C ATOM 1634 CZ PHE A 111 -4.518 -8.343 3.581 1.00 0.00 C ATOM 0 H PHE A 111 -7.566 -4.992 6.104 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.997 -4.807 3.224 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -8.607 -6.776 5.488 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -9.115 -7.075 3.838 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -6.684 -6.025 2.409 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -7.054 -8.504 5.811 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -4.457 -7.046 1.908 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -4.828 -9.526 5.309 1.00 0.00 H new ATOM 0 HZ PHE A 111 -3.556 -8.784 3.365 1.00 0.00 H new ATOM 1644 N VAL A 112 -10.251 -3.876 3.182 1.00 0.00 N ATOM 1645 CA VAL A 112 -11.612 -3.380 3.068 1.00 0.00 C ATOM 1646 C VAL A 112 -12.441 -4.366 2.242 1.00 0.00 C ATOM 1647 O VAL A 112 -12.042 -4.750 1.144 1.00 0.00 O ATOM 1648 CB VAL A 112 -11.606 -1.966 2.483 1.00 0.00 C ATOM 1649 CG1 VAL A 112 -10.976 -0.971 3.459 1.00 0.00 C ATOM 1650 CG2 VAL A 112 -10.891 -1.936 1.130 1.00 0.00 C ATOM 0 H VAL A 112 -9.630 -3.598 2.422 1.00 0.00 H new ATOM 0 HA VAL A 112 -12.077 -3.308 4.051 1.00 0.00 H new ATOM 0 HB VAL A 112 -12.641 -1.666 2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.984 0.026 3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -11.546 -0.962 4.388 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -9.948 -1.267 3.667 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.901 -0.920 0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -9.860 -2.267 1.256 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -11.402 -2.600 0.433 1.00 0.00 H new