USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 656 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 LYS NZ :NH3+ 172:sc= 0.874 (180deg=0.767) USER MOD Single : A 25 SER OG : rot -160:sc= -0.235 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 72:sc= -0.522! USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -1.21 K(o=-1.2,f=-8.4!) USER MOD Single : A 60 GLN : amide:sc= -0.411! K(o=-0.41!,f=-2.3) USER MOD Single : A 62 ASN : amide:sc= -4.66! C(o=-4.7!,f=-4.8!) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 79 ASN : amide:sc= -0.291 K(o=-0.29,f=-2!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN :FLIP amide:sc= -0.102 F(o=-0.75,f=-0.1) USER MOD Single : A 88 THR OG1 : rot 52:sc= -1.77! USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.105 X(o=-0.11,f=-0.059) USER MOD ----------------------------------------------------------------- ATOM 85 N GLU A 9 -10.424 4.317 7.484 1.00 0.00 N ATOM 86 CA GLU A 9 -9.809 4.559 8.778 1.00 0.00 C ATOM 87 C GLU A 9 -8.286 4.604 8.641 1.00 0.00 C ATOM 88 O GLU A 9 -7.628 3.564 8.649 1.00 0.00 O ATOM 89 CB GLU A 9 -10.237 3.499 9.795 1.00 0.00 C ATOM 90 CG GLU A 9 -9.081 3.136 10.729 1.00 0.00 C ATOM 91 CD GLU A 9 -9.603 2.590 12.059 1.00 0.00 C ATOM 92 OE1 GLU A 9 -10.695 1.982 12.035 1.00 0.00 O ATOM 93 OE2 GLU A 9 -8.897 2.791 13.071 1.00 0.00 O ATOM 0 HA GLU A 9 -10.150 5.527 9.146 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.079 3.870 10.380 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.581 2.606 9.272 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.443 2.392 10.252 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.464 4.016 10.910 1.00 0.00 H new ATOM 100 N LEU A 10 -7.770 5.818 8.520 1.00 0.00 N ATOM 101 CA LEU A 10 -6.337 6.012 8.382 1.00 0.00 C ATOM 102 C LEU A 10 -5.724 6.252 9.763 1.00 0.00 C ATOM 103 O LEU A 10 -5.956 7.292 10.377 1.00 0.00 O ATOM 104 CB LEU A 10 -6.041 7.126 7.375 1.00 0.00 C ATOM 105 CG LEU A 10 -6.712 6.989 6.007 1.00 0.00 C ATOM 106 CD1 LEU A 10 -6.173 8.031 5.025 1.00 0.00 C ATOM 107 CD2 LEU A 10 -6.570 5.565 5.467 1.00 0.00 C ATOM 0 H LEU A 10 -8.319 6.678 8.515 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.869 5.115 7.976 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.346 8.076 7.814 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.963 7.176 7.225 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.778 7.182 6.128 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.667 7.912 4.060 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.369 9.031 5.412 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.099 7.894 4.902 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.056 5.495 4.494 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.513 5.319 5.364 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.040 4.865 6.158 1.00 0.00 H new ATOM 119 N PHE A 11 -4.952 5.273 10.211 1.00 0.00 N ATOM 120 CA PHE A 11 -4.304 5.365 11.508 1.00 0.00 C ATOM 121 C PHE A 11 -2.802 5.096 11.391 1.00 0.00 C ATOM 122 O PHE A 11 -2.389 4.127 10.756 1.00 0.00 O ATOM 123 CB PHE A 11 -4.934 4.293 12.400 1.00 0.00 C ATOM 124 CG PHE A 11 -4.935 2.892 11.784 1.00 0.00 C ATOM 125 CD1 PHE A 11 -5.886 2.552 10.872 1.00 0.00 C ATOM 126 CD2 PHE A 11 -3.987 1.988 12.147 1.00 0.00 C ATOM 127 CE1 PHE A 11 -5.887 1.252 10.300 1.00 0.00 C ATOM 128 CE2 PHE A 11 -3.988 0.689 11.575 1.00 0.00 C ATOM 129 CZ PHE A 11 -4.938 0.348 10.664 1.00 0.00 C ATOM 0 H PHE A 11 -4.761 4.412 9.699 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.436 6.366 11.919 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.396 4.262 13.348 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.961 4.580 12.626 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.639 3.270 10.583 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.233 2.258 12.871 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.641 0.981 9.576 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.234 -0.029 11.863 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.939 -0.641 10.229 1.00 0.00 H new ATOM 139 N PRO A 12 -2.006 5.994 12.030 1.00 0.00 N ATOM 140 CA PRO A 12 -0.559 5.863 12.004 1.00 0.00 C ATOM 141 C PRO A 12 -0.093 4.739 12.931 1.00 0.00 C ATOM 142 O PRO A 12 -0.505 4.673 14.088 1.00 0.00 O ATOM 143 CB PRO A 12 -0.033 7.229 12.415 1.00 0.00 C ATOM 144 CG PRO A 12 -1.192 7.932 13.103 1.00 0.00 C ATOM 145 CD PRO A 12 -2.460 7.154 12.792 1.00 0.00 C ATOM 0 HA PRO A 12 -0.180 5.584 11.021 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.820 7.133 13.087 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.307 7.794 11.547 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.026 7.977 14.179 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.279 8.960 12.750 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.973 6.852 13.705 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.163 7.756 12.216 1.00 0.00 H new ATOM 153 N VAL A 13 0.759 3.883 12.388 1.00 0.00 N ATOM 154 CA VAL A 13 1.286 2.764 13.151 1.00 0.00 C ATOM 155 C VAL A 13 2.814 2.842 13.174 1.00 0.00 C ATOM 156 O VAL A 13 3.457 2.793 12.126 1.00 0.00 O ATOM 157 CB VAL A 13 0.762 1.446 12.578 1.00 0.00 C ATOM 158 CG1 VAL A 13 1.544 0.256 13.137 1.00 0.00 C ATOM 159 CG2 VAL A 13 -0.737 1.290 12.841 1.00 0.00 C ATOM 0 H VAL A 13 1.098 3.941 11.428 1.00 0.00 H new ATOM 0 HA VAL A 13 0.943 2.811 14.185 1.00 0.00 H new ATOM 0 HB VAL A 13 0.911 1.468 11.498 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.151 -0.669 12.714 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.597 0.357 12.874 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.441 0.231 14.222 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.083 0.345 12.423 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.921 1.301 13.915 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.276 2.113 12.372 1.00 0.00 H new ATOM 169 N GLU A 14 3.350 2.961 14.379 1.00 0.00 N ATOM 170 CA GLU A 14 4.791 3.046 14.552 1.00 0.00 C ATOM 171 C GLU A 14 5.409 1.647 14.545 1.00 0.00 C ATOM 172 O GLU A 14 4.897 0.734 15.192 1.00 0.00 O ATOM 173 CB GLU A 14 5.146 3.796 15.837 1.00 0.00 C ATOM 174 CG GLU A 14 5.085 5.310 15.624 1.00 0.00 C ATOM 175 CD GLU A 14 4.209 5.979 16.685 1.00 0.00 C ATOM 176 OE1 GLU A 14 3.052 5.529 16.831 1.00 0.00 O ATOM 177 OE2 GLU A 14 4.716 6.925 17.325 1.00 0.00 O ATOM 0 H GLU A 14 2.813 3.001 15.245 1.00 0.00 H new ATOM 0 HA GLU A 14 5.205 3.609 13.716 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.457 3.509 16.632 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.146 3.511 16.164 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.091 5.727 15.663 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.689 5.525 14.632 1.00 0.00 H new ATOM 184 N LEU A 15 6.502 1.521 13.806 1.00 0.00 N ATOM 185 CA LEU A 15 7.196 0.248 13.706 1.00 0.00 C ATOM 186 C LEU A 15 8.701 0.480 13.852 1.00 0.00 C ATOM 187 O LEU A 15 9.227 1.484 13.374 1.00 0.00 O ATOM 188 CB LEU A 15 6.807 -0.474 12.415 1.00 0.00 C ATOM 189 CG LEU A 15 5.719 -1.542 12.545 1.00 0.00 C ATOM 190 CD1 LEU A 15 5.323 -2.092 11.173 1.00 0.00 C ATOM 191 CD2 LEU A 15 6.153 -2.652 13.505 1.00 0.00 C ATOM 0 H LEU A 15 6.924 2.280 13.271 1.00 0.00 H new ATOM 0 HA LEU A 15 6.895 -0.415 14.517 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.473 0.271 11.692 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.700 -0.942 12.001 1.00 0.00 H new ATOM 0 HG LEU A 15 4.831 -1.075 12.972 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.548 -2.849 11.294 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.943 -1.281 10.552 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.195 -2.538 10.694 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.362 -3.398 13.580 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.062 -3.123 13.130 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.345 -2.227 14.490 1.00 0.00 H new ATOM 203 N GLU A 16 9.352 -0.465 14.514 1.00 0.00 N ATOM 204 CA GLU A 16 10.786 -0.376 14.729 1.00 0.00 C ATOM 205 C GLU A 16 11.517 -1.400 13.859 1.00 0.00 C ATOM 206 O GLU A 16 11.438 -2.602 14.109 1.00 0.00 O ATOM 207 CB GLU A 16 11.132 -0.565 16.207 1.00 0.00 C ATOM 208 CG GLU A 16 11.643 0.739 16.822 1.00 0.00 C ATOM 209 CD GLU A 16 12.736 0.466 17.858 1.00 0.00 C ATOM 210 OE1 GLU A 16 13.907 0.361 17.432 1.00 0.00 O ATOM 211 OE2 GLU A 16 12.376 0.368 19.051 1.00 0.00 O ATOM 0 H GLU A 16 8.912 -1.297 14.909 1.00 0.00 H new ATOM 0 HA GLU A 16 11.116 0.621 14.438 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.250 -0.906 16.750 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.890 -1.341 16.310 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.034 1.386 16.037 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.816 1.272 17.292 1.00 0.00 H new ATOM 218 N LYS A 17 12.213 -0.887 12.855 1.00 0.00 N ATOM 219 CA LYS A 17 12.957 -1.742 11.946 1.00 0.00 C ATOM 220 C LYS A 17 13.593 -2.888 12.737 1.00 0.00 C ATOM 221 O LYS A 17 13.880 -2.743 13.924 1.00 0.00 O ATOM 222 CB LYS A 17 13.964 -0.920 11.140 1.00 0.00 C ATOM 223 CG LYS A 17 13.315 -0.337 9.883 1.00 0.00 C ATOM 224 CD LYS A 17 14.375 0.142 8.890 1.00 0.00 C ATOM 225 CE LYS A 17 13.914 -0.077 7.447 1.00 0.00 C ATOM 226 NZ LYS A 17 14.916 0.453 6.496 1.00 0.00 N ATOM 0 H LYS A 17 12.277 0.110 12.651 1.00 0.00 H new ATOM 0 HA LYS A 17 12.288 -2.192 11.213 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.358 -0.113 11.758 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.810 -1.548 10.859 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.685 -1.091 9.412 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.666 0.495 10.157 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.580 1.200 9.053 1.00 0.00 H new ATOM 0 HD3 LYS A 17 15.308 -0.394 9.063 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.759 -1.141 7.266 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.955 0.416 7.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.655 0.178 5.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.945 1.490 6.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.853 0.064 6.726 1.00 0.00 H new ATOM 240 N ASP A 18 13.793 -4.001 12.046 1.00 0.00 N ATOM 241 CA ASP A 18 14.389 -5.171 12.669 1.00 0.00 C ATOM 242 C ASP A 18 15.659 -5.556 11.909 1.00 0.00 C ATOM 243 O ASP A 18 15.995 -4.938 10.900 1.00 0.00 O ATOM 244 CB ASP A 18 13.432 -6.365 12.627 1.00 0.00 C ATOM 245 CG ASP A 18 12.013 -6.074 13.119 1.00 0.00 C ATOM 246 OD1 ASP A 18 11.763 -4.900 13.469 1.00 0.00 O ATOM 247 OD2 ASP A 18 11.210 -7.032 13.135 1.00 0.00 O ATOM 0 H ASP A 18 13.553 -4.117 11.061 1.00 0.00 H new ATOM 0 HA ASP A 18 14.612 -4.924 13.707 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.377 -6.731 11.602 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.852 -7.169 13.231 1.00 0.00 H new ATOM 252 N GLU A 19 16.331 -6.576 12.423 1.00 0.00 N ATOM 253 CA GLU A 19 17.558 -7.052 11.805 1.00 0.00 C ATOM 254 C GLU A 19 17.362 -7.221 10.297 1.00 0.00 C ATOM 255 O GLU A 19 18.325 -7.180 9.534 1.00 0.00 O ATOM 256 CB GLU A 19 18.024 -8.359 12.448 1.00 0.00 C ATOM 257 CG GLU A 19 17.279 -9.557 11.856 1.00 0.00 C ATOM 258 CD GLU A 19 17.774 -10.869 12.470 1.00 0.00 C ATOM 259 OE1 GLU A 19 17.814 -10.931 13.718 1.00 0.00 O ATOM 260 OE2 GLU A 19 18.101 -11.778 11.678 1.00 0.00 O ATOM 0 H GLU A 19 16.049 -7.086 13.260 1.00 0.00 H new ATOM 0 HA GLU A 19 18.337 -6.307 11.969 1.00 0.00 H new ATOM 0 HB2 GLU A 19 19.096 -8.481 12.295 1.00 0.00 H new ATOM 0 HB3 GLU A 19 17.858 -8.318 13.524 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.209 -9.449 12.034 1.00 0.00 H new ATOM 0 HG3 GLU A 19 17.421 -9.581 10.776 1.00 0.00 H new ATOM 267 N ASP A 20 16.107 -7.408 9.913 1.00 0.00 N ATOM 268 CA ASP A 20 15.773 -7.583 8.510 1.00 0.00 C ATOM 269 C ASP A 20 15.147 -6.294 7.974 1.00 0.00 C ATOM 270 O ASP A 20 15.172 -6.042 6.770 1.00 0.00 O ATOM 271 CB ASP A 20 14.759 -8.714 8.323 1.00 0.00 C ATOM 272 CG ASP A 20 14.091 -8.763 6.948 1.00 0.00 C ATOM 273 OD1 ASP A 20 14.748 -9.275 6.016 1.00 0.00 O ATOM 274 OD2 ASP A 20 12.939 -8.287 6.859 1.00 0.00 O ATOM 0 H ASP A 20 15.310 -7.442 10.549 1.00 0.00 H new ATOM 0 HA ASP A 20 16.690 -7.827 7.973 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.261 -9.665 8.500 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.984 -8.616 9.083 1.00 0.00 H new ATOM 279 N GLY A 21 14.601 -5.512 8.894 1.00 0.00 N ATOM 280 CA GLY A 21 13.970 -4.256 8.529 1.00 0.00 C ATOM 281 C GLY A 21 12.517 -4.212 9.007 1.00 0.00 C ATOM 282 O GLY A 21 12.230 -4.529 10.160 1.00 0.00 O ATOM 0 H GLY A 21 14.583 -5.724 9.891 1.00 0.00 H new ATOM 0 HA2 GLY A 21 14.525 -3.426 8.965 1.00 0.00 H new ATOM 0 HA3 GLY A 21 14.004 -4.129 7.447 1.00 0.00 H new ATOM 286 N LEU A 22 11.639 -3.817 8.096 1.00 0.00 N ATOM 287 CA LEU A 22 10.223 -3.728 8.410 1.00 0.00 C ATOM 288 C LEU A 22 9.676 -5.132 8.677 1.00 0.00 C ATOM 289 O LEU A 22 9.054 -5.373 9.711 1.00 0.00 O ATOM 290 CB LEU A 22 9.476 -2.976 7.308 1.00 0.00 C ATOM 291 CG LEU A 22 10.081 -1.637 6.880 1.00 0.00 C ATOM 292 CD1 LEU A 22 9.422 -1.121 5.600 1.00 0.00 C ATOM 293 CD2 LEU A 22 10.008 -0.615 8.016 1.00 0.00 C ATOM 0 H LEU A 22 11.881 -3.555 7.140 1.00 0.00 H new ATOM 0 HA LEU A 22 10.070 -3.147 9.319 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.416 -3.621 6.432 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.454 -2.799 7.644 1.00 0.00 H new ATOM 0 HG LEU A 22 11.136 -1.795 6.656 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.871 -0.168 5.318 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.571 -1.843 4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.354 -0.983 5.771 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.444 0.328 7.686 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.967 -0.455 8.295 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.561 -0.989 8.878 1.00 0.00 H new ATOM 305 N GLY A 23 9.927 -6.021 7.727 1.00 0.00 N ATOM 306 CA GLY A 23 9.466 -7.394 7.847 1.00 0.00 C ATOM 307 C GLY A 23 8.002 -7.520 7.421 1.00 0.00 C ATOM 308 O GLY A 23 7.184 -8.072 8.155 1.00 0.00 O ATOM 0 H GLY A 23 10.443 -5.817 6.871 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.085 -8.045 7.230 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.579 -7.731 8.878 1.00 0.00 H new ATOM 312 N ILE A 24 7.717 -7.000 6.236 1.00 0.00 N ATOM 313 CA ILE A 24 6.366 -7.048 5.704 1.00 0.00 C ATOM 314 C ILE A 24 6.424 -7.056 4.175 1.00 0.00 C ATOM 315 O ILE A 24 7.368 -6.533 3.584 1.00 0.00 O ATOM 316 CB ILE A 24 5.522 -5.909 6.281 1.00 0.00 C ATOM 317 CG1 ILE A 24 6.252 -4.570 6.161 1.00 0.00 C ATOM 318 CG2 ILE A 24 5.108 -6.209 7.723 1.00 0.00 C ATOM 319 CD1 ILE A 24 5.280 -3.399 6.318 1.00 0.00 C ATOM 0 H ILE A 24 8.398 -6.544 5.630 1.00 0.00 H new ATOM 0 HA ILE A 24 5.869 -7.969 6.009 1.00 0.00 H new ATOM 0 HB ILE A 24 4.607 -5.831 5.693 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.030 -4.506 6.922 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.748 -4.508 5.192 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.509 -5.384 8.109 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.521 -7.127 7.749 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.999 -6.330 8.339 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.825 -2.459 6.228 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.518 -3.452 5.541 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.804 -3.450 7.297 1.00 0.00 H new ATOM 331 N SER A 25 5.404 -7.655 3.579 1.00 0.00 N ATOM 332 CA SER A 25 5.328 -7.738 2.130 1.00 0.00 C ATOM 333 C SER A 25 4.226 -6.813 1.610 1.00 0.00 C ATOM 334 O SER A 25 3.217 -6.605 2.282 1.00 0.00 O ATOM 335 CB SER A 25 5.073 -9.176 1.673 1.00 0.00 C ATOM 336 OG SER A 25 5.627 -10.129 2.576 1.00 0.00 O ATOM 0 H SER A 25 4.623 -8.088 4.073 1.00 0.00 H new ATOM 0 HA SER A 25 6.286 -7.419 1.719 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.000 -9.343 1.583 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.503 -9.323 0.682 1.00 0.00 H new ATOM 0 HG SER A 25 5.731 -10.990 2.120 1.00 0.00 H new ATOM 342 N ILE A 26 4.456 -6.282 0.418 1.00 0.00 N ATOM 343 CA ILE A 26 3.496 -5.384 -0.200 1.00 0.00 C ATOM 344 C ILE A 26 3.142 -5.904 -1.594 1.00 0.00 C ATOM 345 O ILE A 26 3.879 -6.704 -2.168 1.00 0.00 O ATOM 346 CB ILE A 26 4.024 -3.948 -0.194 1.00 0.00 C ATOM 347 CG1 ILE A 26 5.364 -3.854 -0.927 1.00 0.00 C ATOM 348 CG2 ILE A 26 4.111 -3.401 1.232 1.00 0.00 C ATOM 349 CD1 ILE A 26 5.345 -2.728 -1.963 1.00 0.00 C ATOM 0 H ILE A 26 5.294 -6.457 -0.136 1.00 0.00 H new ATOM 0 HA ILE A 26 2.571 -5.361 0.376 1.00 0.00 H new ATOM 0 HB ILE A 26 3.316 -3.321 -0.736 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.164 -3.678 -0.208 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.581 -4.802 -1.419 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.489 -2.379 1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.120 -3.410 1.686 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.786 -4.023 1.820 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.309 -2.683 -2.469 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.560 -2.920 -2.694 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.152 -1.778 -1.464 1.00 0.00 H new ATOM 361 N ILE A 27 2.013 -5.428 -2.099 1.00 0.00 N ATOM 362 CA ILE A 27 1.552 -5.835 -3.416 1.00 0.00 C ATOM 363 C ILE A 27 1.072 -4.603 -4.186 1.00 0.00 C ATOM 364 O ILE A 27 0.429 -3.722 -3.617 1.00 0.00 O ATOM 365 CB ILE A 27 0.498 -6.937 -3.298 1.00 0.00 C ATOM 366 CG1 ILE A 27 -0.390 -6.982 -4.543 1.00 0.00 C ATOM 367 CG2 ILE A 27 -0.321 -6.777 -2.016 1.00 0.00 C ATOM 368 CD1 ILE A 27 -1.073 -8.344 -4.681 1.00 0.00 C ATOM 0 H ILE A 27 1.404 -4.765 -1.620 1.00 0.00 H new ATOM 0 HA ILE A 27 2.371 -6.270 -3.989 1.00 0.00 H new ATOM 0 HB ILE A 27 1.012 -7.896 -3.234 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.144 -6.197 -4.484 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.211 -6.781 -5.430 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.063 -7.573 -1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.341 -6.833 -1.152 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.825 -5.811 -2.025 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.698 -8.349 -5.574 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.316 -9.124 -4.764 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.692 -8.531 -3.804 1.00 0.00 H new ATOM 380 N GLY A 28 1.401 -4.582 -5.470 1.00 0.00 N ATOM 381 CA GLY A 28 1.011 -3.473 -6.324 1.00 0.00 C ATOM 382 C GLY A 28 -0.306 -3.772 -7.043 1.00 0.00 C ATOM 383 O GLY A 28 -0.386 -4.709 -7.835 1.00 0.00 O ATOM 0 H GLY A 28 1.933 -5.315 -5.939 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.906 -2.568 -5.726 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.794 -3.281 -7.057 1.00 0.00 H new ATOM 387 N MET A 29 -1.306 -2.957 -6.741 1.00 0.00 N ATOM 388 CA MET A 29 -2.616 -3.123 -7.348 1.00 0.00 C ATOM 389 C MET A 29 -3.185 -1.776 -7.799 1.00 0.00 C ATOM 390 O MET A 29 -2.841 -0.735 -7.242 1.00 0.00 O ATOM 391 CB MET A 29 -3.569 -3.769 -6.340 1.00 0.00 C ATOM 392 CG MET A 29 -3.050 -5.137 -5.894 1.00 0.00 C ATOM 393 SD MET A 29 -3.919 -6.432 -6.762 1.00 0.00 S ATOM 394 CE MET A 29 -4.793 -7.185 -5.400 1.00 0.00 C ATOM 0 H MET A 29 -1.236 -2.180 -6.084 1.00 0.00 H new ATOM 0 HA MET A 29 -2.512 -3.764 -8.223 1.00 0.00 H new ATOM 0 HB2 MET A 29 -3.682 -3.119 -5.473 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.557 -3.879 -6.787 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.980 -5.211 -6.090 1.00 0.00 H new ATOM 0 HG3 MET A 29 -3.186 -5.254 -4.819 1.00 0.00 H new ATOM 0 HE1 MET A 29 -5.391 -8.019 -5.768 1.00 0.00 H new ATOM 0 HE2 MET A 29 -4.076 -7.549 -4.664 1.00 0.00 H new ATOM 0 HE3 MET A 29 -5.447 -6.447 -4.935 1.00 0.00 H new ATOM 404 N GLY A 30 -4.048 -1.840 -8.803 1.00 0.00 N ATOM 405 CA GLY A 30 -4.668 -0.639 -9.334 1.00 0.00 C ATOM 406 C GLY A 30 -6.059 -0.428 -8.733 1.00 0.00 C ATOM 407 O GLY A 30 -7.000 -1.147 -9.067 1.00 0.00 O ATOM 0 H GLY A 30 -4.332 -2.705 -9.262 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.040 0.225 -9.118 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.744 -0.714 -10.419 1.00 0.00 H new ATOM 411 N VAL A 31 -6.146 0.561 -7.856 1.00 0.00 N ATOM 412 CA VAL A 31 -7.407 0.876 -7.205 1.00 0.00 C ATOM 413 C VAL A 31 -8.202 1.843 -8.083 1.00 0.00 C ATOM 414 O VAL A 31 -7.626 2.716 -8.731 1.00 0.00 O ATOM 415 CB VAL A 31 -7.148 1.420 -5.799 1.00 0.00 C ATOM 416 CG1 VAL A 31 -8.354 1.182 -4.888 1.00 0.00 C ATOM 417 CG2 VAL A 31 -5.879 0.809 -5.199 1.00 0.00 C ATOM 0 H VAL A 31 -5.364 1.155 -7.581 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.010 -0.024 -7.085 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.996 2.496 -5.880 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.143 1.578 -3.895 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.228 1.686 -5.302 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.551 0.112 -4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.718 1.213 -4.199 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.990 -0.274 -5.140 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.024 1.052 -5.830 1.00 0.00 H new ATOM 492 N GLU A 38 -6.797 5.986 -12.446 1.00 0.00 N ATOM 493 CA GLU A 38 -6.422 4.860 -11.607 1.00 0.00 C ATOM 494 C GLU A 38 -5.431 5.307 -10.531 1.00 0.00 C ATOM 495 O GLU A 38 -4.557 6.132 -10.791 1.00 0.00 O ATOM 496 CB GLU A 38 -5.843 3.720 -12.446 1.00 0.00 C ATOM 497 CG GLU A 38 -4.538 4.144 -13.122 1.00 0.00 C ATOM 498 CD GLU A 38 -3.993 3.025 -14.012 1.00 0.00 C ATOM 499 OE1 GLU A 38 -3.336 2.122 -13.451 1.00 0.00 O ATOM 500 OE2 GLU A 38 -4.244 3.099 -15.234 1.00 0.00 O ATOM 0 HA GLU A 38 -7.319 4.485 -11.114 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.663 2.852 -11.812 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.567 3.417 -13.203 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.708 5.039 -13.720 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.799 4.403 -12.364 1.00 0.00 H new ATOM 507 N LYS A 39 -5.600 4.742 -9.344 1.00 0.00 N ATOM 508 CA LYS A 39 -4.730 5.072 -8.228 1.00 0.00 C ATOM 509 C LYS A 39 -4.155 3.783 -7.637 1.00 0.00 C ATOM 510 O LYS A 39 -4.804 3.123 -6.827 1.00 0.00 O ATOM 511 CB LYS A 39 -5.473 5.938 -7.208 1.00 0.00 C ATOM 512 CG LYS A 39 -5.422 7.415 -7.604 1.00 0.00 C ATOM 513 CD LYS A 39 -4.677 8.239 -6.551 1.00 0.00 C ATOM 514 CE LYS A 39 -5.289 9.635 -6.415 1.00 0.00 C ATOM 515 NZ LYS A 39 -4.417 10.647 -7.051 1.00 0.00 N ATOM 0 H LYS A 39 -6.326 4.058 -9.131 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.886 5.672 -8.567 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.511 5.612 -7.136 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.029 5.807 -6.221 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.927 7.520 -8.570 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.435 7.799 -7.722 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.714 7.726 -5.590 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.626 8.324 -6.827 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.275 9.653 -6.879 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.428 9.877 -5.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.847 11.589 -6.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.485 10.641 -6.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.306 10.424 -8.061 1.00 0.00 H new ATOM 529 N LEU A 40 -2.943 3.463 -8.065 1.00 0.00 N ATOM 530 CA LEU A 40 -2.273 2.265 -7.589 1.00 0.00 C ATOM 531 C LEU A 40 -2.339 2.222 -6.061 1.00 0.00 C ATOM 532 O LEU A 40 -2.018 3.205 -5.394 1.00 0.00 O ATOM 533 CB LEU A 40 -0.849 2.190 -8.145 1.00 0.00 C ATOM 534 CG LEU A 40 -0.370 0.802 -8.575 1.00 0.00 C ATOM 535 CD1 LEU A 40 -0.193 -0.117 -7.365 1.00 0.00 C ATOM 536 CD2 LEU A 40 -1.308 0.198 -9.622 1.00 0.00 C ATOM 0 H LEU A 40 -2.407 4.013 -8.737 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.781 1.373 -7.956 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.779 2.859 -9.003 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.164 2.571 -7.388 1.00 0.00 H new ATOM 0 HG LEU A 40 0.609 0.909 -9.043 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.148 -1.097 -7.699 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.545 0.312 -6.687 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.145 -0.222 -6.845 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.945 -0.788 -9.910 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.310 0.107 -9.203 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.338 0.844 -10.499 1.00 0.00 H new ATOM 548 N GLY A 41 -2.758 1.073 -5.550 1.00 0.00 N ATOM 549 CA GLY A 41 -2.871 0.890 -4.113 1.00 0.00 C ATOM 550 C GLY A 41 -1.853 -0.136 -3.610 1.00 0.00 C ATOM 551 O GLY A 41 -1.866 -1.289 -4.038 1.00 0.00 O ATOM 0 H GLY A 41 -3.023 0.260 -6.106 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.713 1.843 -3.608 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.879 0.560 -3.863 1.00 0.00 H new ATOM 555 N ILE A 42 -0.996 0.321 -2.709 1.00 0.00 N ATOM 556 CA ILE A 42 0.026 -0.543 -2.143 1.00 0.00 C ATOM 557 C ILE A 42 -0.554 -1.294 -0.943 1.00 0.00 C ATOM 558 O ILE A 42 -0.694 -0.728 0.139 1.00 0.00 O ATOM 559 CB ILE A 42 1.285 0.262 -1.814 1.00 0.00 C ATOM 560 CG1 ILE A 42 1.672 1.176 -2.979 1.00 0.00 C ATOM 561 CG2 ILE A 42 2.435 -0.661 -1.405 1.00 0.00 C ATOM 562 CD1 ILE A 42 1.961 0.363 -4.242 1.00 0.00 C ATOM 0 H ILE A 42 -0.988 1.278 -2.357 1.00 0.00 H new ATOM 0 HA ILE A 42 0.336 -1.294 -2.870 1.00 0.00 H new ATOM 0 HB ILE A 42 1.066 0.903 -0.960 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.866 1.883 -3.174 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.551 1.761 -2.710 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.318 -0.063 -1.177 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.146 -1.233 -0.523 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.662 -1.345 -2.223 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.233 1.037 -5.054 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.784 -0.326 -4.051 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.072 -0.202 -4.522 1.00 0.00 H new ATOM 574 N PHE A 43 -0.875 -2.558 -1.177 1.00 0.00 N ATOM 575 CA PHE A 43 -1.437 -3.393 -0.128 1.00 0.00 C ATOM 576 C PHE A 43 -0.381 -4.341 0.442 1.00 0.00 C ATOM 577 O PHE A 43 0.670 -4.544 -0.165 1.00 0.00 O ATOM 578 CB PHE A 43 -2.556 -4.219 -0.766 1.00 0.00 C ATOM 579 CG PHE A 43 -3.697 -3.380 -1.344 1.00 0.00 C ATOM 580 CD1 PHE A 43 -4.721 -2.981 -0.542 1.00 0.00 C ATOM 581 CD2 PHE A 43 -3.689 -3.034 -2.659 1.00 0.00 C ATOM 582 CE1 PHE A 43 -5.780 -2.202 -1.078 1.00 0.00 C ATOM 583 CE2 PHE A 43 -4.748 -2.255 -3.195 1.00 0.00 C ATOM 584 CZ PHE A 43 -5.771 -1.855 -2.393 1.00 0.00 C ATOM 0 H PHE A 43 -0.757 -3.024 -2.077 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.805 -2.770 0.687 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.132 -4.834 -1.560 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.962 -4.900 -0.018 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.728 -3.257 0.502 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.877 -3.352 -3.296 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.593 -1.885 -0.441 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.741 -1.980 -4.239 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.576 -1.262 -2.800 1.00 0.00 H new ATOM 594 N VAL A 44 -0.696 -4.897 1.603 1.00 0.00 N ATOM 595 CA VAL A 44 0.213 -5.819 2.263 1.00 0.00 C ATOM 596 C VAL A 44 -0.113 -7.249 1.828 1.00 0.00 C ATOM 597 O VAL A 44 -1.097 -7.831 2.283 1.00 0.00 O ATOM 598 CB VAL A 44 0.146 -5.625 3.779 1.00 0.00 C ATOM 599 CG1 VAL A 44 0.688 -6.853 4.513 1.00 0.00 C ATOM 600 CG2 VAL A 44 0.892 -4.359 4.204 1.00 0.00 C ATOM 0 H VAL A 44 -1.568 -4.727 2.104 1.00 0.00 H new ATOM 0 HA VAL A 44 1.243 -5.617 1.968 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.902 -5.505 4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.629 -6.689 5.589 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.095 -7.728 4.246 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.727 -7.018 4.228 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.829 -4.245 5.286 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.938 -4.436 3.908 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.442 -3.492 3.721 1.00 0.00 H new ATOM 610 N LYS A 45 0.731 -7.774 0.952 1.00 0.00 N ATOM 611 CA LYS A 45 0.544 -9.125 0.450 1.00 0.00 C ATOM 612 C LYS A 45 0.503 -10.101 1.628 1.00 0.00 C ATOM 613 O LYS A 45 -0.330 -11.005 1.661 1.00 0.00 O ATOM 614 CB LYS A 45 1.613 -9.462 -0.591 1.00 0.00 C ATOM 615 CG LYS A 45 1.525 -10.931 -1.011 1.00 0.00 C ATOM 616 CD LYS A 45 0.275 -11.185 -1.856 1.00 0.00 C ATOM 617 CE LYS A 45 0.312 -12.579 -2.485 1.00 0.00 C ATOM 618 NZ LYS A 45 1.042 -12.547 -3.773 1.00 0.00 N ATOM 0 H LYS A 45 1.546 -7.288 0.577 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.411 -9.210 -0.068 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.489 -8.822 -1.465 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.602 -9.256 -0.182 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.414 -11.205 -1.579 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.505 -11.566 -0.125 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.615 -11.086 -1.234 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.202 -10.431 -2.639 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.795 -13.279 -1.804 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.704 -12.939 -2.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.058 -13.501 -4.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.564 -11.894 -4.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.017 -12.223 -3.611 1.00 0.00 H new ATOM 632 N THR A 46 1.414 -9.884 2.566 1.00 0.00 N ATOM 633 CA THR A 46 1.492 -10.733 3.743 1.00 0.00 C ATOM 634 C THR A 46 2.454 -10.133 4.770 1.00 0.00 C ATOM 635 O THR A 46 3.099 -9.120 4.505 1.00 0.00 O ATOM 636 CB THR A 46 1.890 -12.138 3.287 1.00 0.00 C ATOM 637 OG1 THR A 46 2.131 -12.842 4.502 1.00 0.00 O ATOM 638 CG2 THR A 46 3.242 -12.160 2.569 1.00 0.00 C ATOM 0 H THR A 46 2.104 -9.133 2.535 1.00 0.00 H new ATOM 0 HA THR A 46 0.528 -10.800 4.247 1.00 0.00 H new ATOM 0 HB THR A 46 1.121 -12.536 2.625 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.279 -13.014 4.955 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.477 -13.181 2.267 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.196 -11.522 1.687 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.017 -11.794 3.242 1.00 0.00 H new ATOM 646 N VAL A 47 2.520 -10.783 5.923 1.00 0.00 N ATOM 647 CA VAL A 47 3.392 -10.326 6.992 1.00 0.00 C ATOM 648 C VAL A 47 4.340 -11.459 7.390 1.00 0.00 C ATOM 649 O VAL A 47 3.896 -12.558 7.717 1.00 0.00 O ATOM 650 CB VAL A 47 2.556 -9.806 8.163 1.00 0.00 C ATOM 651 CG1 VAL A 47 3.443 -9.473 9.364 1.00 0.00 C ATOM 652 CG2 VAL A 47 1.720 -8.595 7.745 1.00 0.00 C ATOM 0 H VAL A 47 1.984 -11.623 6.140 1.00 0.00 H new ATOM 0 HA VAL A 47 4.007 -9.492 6.654 1.00 0.00 H new ATOM 0 HB VAL A 47 1.870 -10.598 8.463 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.824 -9.106 10.183 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.973 -10.370 9.684 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.164 -8.706 9.082 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.135 -8.245 8.596 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.380 -7.797 7.406 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.048 -8.879 6.935 1.00 0.00 H new ATOM 662 N THR A 48 5.628 -11.152 7.349 1.00 0.00 N ATOM 663 CA THR A 48 6.642 -12.130 7.701 1.00 0.00 C ATOM 664 C THR A 48 6.385 -12.683 9.105 1.00 0.00 C ATOM 665 O THR A 48 5.826 -11.992 9.955 1.00 0.00 O ATOM 666 CB THR A 48 8.012 -11.466 7.551 1.00 0.00 C ATOM 667 OG1 THR A 48 8.345 -11.662 6.180 1.00 0.00 O ATOM 668 CG2 THR A 48 9.111 -12.212 8.311 1.00 0.00 C ATOM 0 H THR A 48 5.992 -10.239 7.077 1.00 0.00 H new ATOM 0 HA THR A 48 6.608 -12.992 7.035 1.00 0.00 H new ATOM 0 HB THR A 48 7.957 -10.438 7.908 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.219 -11.260 5.995 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.063 -11.699 8.171 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.866 -12.238 9.373 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.189 -13.231 7.931 1.00 0.00 H new ATOM 676 N GLU A 49 6.806 -13.923 9.304 1.00 0.00 N ATOM 677 CA GLU A 49 6.629 -14.576 10.590 1.00 0.00 C ATOM 678 C GLU A 49 7.736 -14.153 11.557 1.00 0.00 C ATOM 679 O GLU A 49 8.899 -14.505 11.367 1.00 0.00 O ATOM 680 CB GLU A 49 6.591 -16.098 10.431 1.00 0.00 C ATOM 681 CG GLU A 49 5.680 -16.736 11.482 1.00 0.00 C ATOM 682 CD GLU A 49 5.854 -18.256 11.507 1.00 0.00 C ATOM 683 OE1 GLU A 49 5.790 -18.853 10.411 1.00 0.00 O ATOM 684 OE2 GLU A 49 6.047 -18.786 12.622 1.00 0.00 O ATOM 0 H GLU A 49 7.269 -14.493 8.596 1.00 0.00 H new ATOM 0 HA GLU A 49 5.671 -14.263 11.006 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.236 -16.354 9.433 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.599 -16.502 10.524 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.908 -16.324 12.465 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.641 -16.489 11.266 1.00 0.00 H new ATOM 691 N GLY A 50 7.335 -13.405 12.574 1.00 0.00 N ATOM 692 CA GLY A 50 8.278 -12.930 13.572 1.00 0.00 C ATOM 693 C GLY A 50 8.847 -11.564 13.183 1.00 0.00 C ATOM 694 O GLY A 50 9.812 -11.095 13.784 1.00 0.00 O ATOM 0 H GLY A 50 6.369 -13.116 12.729 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.783 -12.859 14.541 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.090 -13.649 13.681 1.00 0.00 H new ATOM 698 N GLY A 51 8.224 -10.963 12.179 1.00 0.00 N ATOM 699 CA GLY A 51 8.656 -9.660 11.703 1.00 0.00 C ATOM 700 C GLY A 51 8.373 -8.575 12.743 1.00 0.00 C ATOM 701 O GLY A 51 8.002 -8.877 13.876 1.00 0.00 O ATOM 0 H GLY A 51 7.424 -11.355 11.682 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.723 -9.686 11.480 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.142 -9.420 10.773 1.00 0.00 H new ATOM 705 N ALA A 52 8.559 -7.333 12.321 1.00 0.00 N ATOM 706 CA ALA A 52 8.329 -6.200 13.202 1.00 0.00 C ATOM 707 C ALA A 52 6.833 -5.880 13.233 1.00 0.00 C ATOM 708 O ALA A 52 6.260 -5.676 14.302 1.00 0.00 O ATOM 709 CB ALA A 52 9.170 -5.011 12.736 1.00 0.00 C ATOM 0 H ALA A 52 8.866 -7.086 11.380 1.00 0.00 H new ATOM 0 HA ALA A 52 8.637 -6.437 14.220 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.997 -4.162 13.397 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.226 -5.280 12.760 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.887 -4.742 11.718 1.00 0.00 H new ATOM 715 N ALA A 53 6.243 -5.846 12.047 1.00 0.00 N ATOM 716 CA ALA A 53 4.825 -5.553 11.925 1.00 0.00 C ATOM 717 C ALA A 53 4.017 -6.710 12.517 1.00 0.00 C ATOM 718 O ALA A 53 2.955 -6.497 13.099 1.00 0.00 O ATOM 719 CB ALA A 53 4.482 -5.294 10.457 1.00 0.00 C ATOM 0 H ALA A 53 6.721 -6.016 11.162 1.00 0.00 H new ATOM 0 HA ALA A 53 4.570 -4.652 12.483 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.418 -5.074 10.365 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.061 -4.445 10.092 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.722 -6.178 9.866 1.00 0.00 H new ATOM 725 N GLN A 54 4.552 -7.911 12.348 1.00 0.00 N ATOM 726 CA GLN A 54 3.895 -9.102 12.858 1.00 0.00 C ATOM 727 C GLN A 54 3.795 -9.041 14.384 1.00 0.00 C ATOM 728 O GLN A 54 2.699 -9.080 14.940 1.00 0.00 O ATOM 729 CB GLN A 54 4.625 -10.368 12.406 1.00 0.00 C ATOM 730 CG GLN A 54 3.700 -11.585 12.464 1.00 0.00 C ATOM 731 CD GLN A 54 3.852 -12.327 13.793 1.00 0.00 C ATOM 732 OE1 GLN A 54 4.163 -11.751 14.823 1.00 0.00 O ATOM 733 NE2 GLN A 54 3.618 -13.634 13.714 1.00 0.00 N ATOM 0 H GLN A 54 5.433 -8.084 11.865 1.00 0.00 H new ATOM 0 HA GLN A 54 2.886 -9.140 12.449 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.994 -10.236 11.389 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.494 -10.537 13.041 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.665 -11.266 12.338 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.928 -12.259 11.639 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.362 -14.053 12.820 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.695 -14.217 14.547 1.00 0.00 H new ATOM 742 N ARG A 55 4.955 -8.946 15.017 1.00 0.00 N ATOM 743 CA ARG A 55 5.013 -8.879 16.467 1.00 0.00 C ATOM 744 C ARG A 55 4.050 -7.810 16.988 1.00 0.00 C ATOM 745 O ARG A 55 3.237 -8.078 17.871 1.00 0.00 O ATOM 746 CB ARG A 55 6.429 -8.558 16.948 1.00 0.00 C ATOM 747 CG ARG A 55 7.341 -9.780 16.824 1.00 0.00 C ATOM 748 CD ARG A 55 8.653 -9.565 17.581 1.00 0.00 C ATOM 749 NE ARG A 55 9.569 -8.725 16.777 1.00 0.00 N ATOM 750 CZ ARG A 55 10.778 -8.323 17.193 1.00 0.00 C ATOM 751 NH1 ARG A 55 11.223 -8.680 18.405 1.00 0.00 N ATOM 752 NH2 ARG A 55 11.541 -7.562 16.396 1.00 0.00 N ATOM 0 H ARG A 55 5.862 -8.914 14.552 1.00 0.00 H new ATOM 0 HA ARG A 55 4.723 -9.855 16.855 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.838 -7.734 16.363 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.398 -8.227 17.986 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.831 -10.660 17.216 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.552 -9.976 15.773 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.455 -9.086 18.540 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.121 -10.526 17.795 1.00 0.00 H new ATOM 0 HE ARG A 55 9.261 -8.434 15.849 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.642 -9.258 19.012 1.00 0.00 H new ATOM 0 HH12 ARG A 55 12.143 -8.374 18.721 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.201 -7.289 15.474 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.461 -7.256 16.712 1.00 0.00 H new ATOM 766 N ASP A 56 4.173 -6.620 16.418 1.00 0.00 N ATOM 767 CA ASP A 56 3.324 -5.509 16.814 1.00 0.00 C ATOM 768 C ASP A 56 1.872 -5.984 16.887 1.00 0.00 C ATOM 769 O ASP A 56 1.223 -5.851 17.923 1.00 0.00 O ATOM 770 CB ASP A 56 3.399 -4.369 15.796 1.00 0.00 C ATOM 771 CG ASP A 56 3.036 -2.988 16.345 1.00 0.00 C ATOM 772 OD1 ASP A 56 1.837 -2.792 16.642 1.00 0.00 O ATOM 773 OD2 ASP A 56 3.964 -2.159 16.455 1.00 0.00 O ATOM 0 H ASP A 56 4.848 -6.401 15.685 1.00 0.00 H new ATOM 0 HA ASP A 56 3.668 -5.149 17.784 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.411 -4.329 15.392 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.733 -4.600 14.965 1.00 0.00 H new ATOM 778 N GLY A 57 1.404 -6.527 15.773 1.00 0.00 N ATOM 779 CA GLY A 57 0.040 -7.023 15.697 1.00 0.00 C ATOM 780 C GLY A 57 -0.907 -5.942 15.171 1.00 0.00 C ATOM 781 O GLY A 57 -2.126 -6.097 15.232 1.00 0.00 O ATOM 0 H GLY A 57 1.945 -6.635 14.915 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.002 -7.895 15.043 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.288 -7.350 16.684 1.00 0.00 H new ATOM 785 N ARG A 58 -0.311 -4.872 14.667 1.00 0.00 N ATOM 786 CA ARG A 58 -1.086 -3.766 14.130 1.00 0.00 C ATOM 787 C ARG A 58 -1.295 -3.945 12.625 1.00 0.00 C ATOM 788 O ARG A 58 -2.421 -4.138 12.170 1.00 0.00 O ATOM 789 CB ARG A 58 -0.388 -2.429 14.386 1.00 0.00 C ATOM 790 CG ARG A 58 -1.092 -1.646 15.496 1.00 0.00 C ATOM 791 CD ARG A 58 -2.610 -1.674 15.308 1.00 0.00 C ATOM 792 NE ARG A 58 -2.941 -1.754 13.868 1.00 0.00 N ATOM 793 CZ ARG A 58 -4.124 -2.162 13.390 1.00 0.00 C ATOM 794 NH1 ARG A 58 -5.097 -2.530 14.235 1.00 0.00 N ATOM 795 NH2 ARG A 58 -4.335 -2.202 12.067 1.00 0.00 N ATOM 0 H ARG A 58 0.700 -4.747 14.619 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.052 -3.761 14.636 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.651 -2.605 14.663 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.378 -1.839 13.470 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.834 -2.071 16.466 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.741 -0.614 15.497 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.034 -2.529 15.835 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.055 -0.779 15.743 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.223 -1.481 13.197 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.937 -2.499 15.242 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.998 -2.841 13.871 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.595 -1.922 11.424 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.236 -2.513 11.703 1.00 0.00 H new ATOM 809 N ILE A 59 -0.192 -3.875 11.895 1.00 0.00 N ATOM 810 CA ILE A 59 -0.241 -4.026 10.450 1.00 0.00 C ATOM 811 C ILE A 59 -0.606 -5.471 10.106 1.00 0.00 C ATOM 812 O ILE A 59 0.149 -6.395 10.406 1.00 0.00 O ATOM 813 CB ILE A 59 1.071 -3.556 9.818 1.00 0.00 C ATOM 814 CG1 ILE A 59 1.151 -2.028 9.793 1.00 0.00 C ATOM 815 CG2 ILE A 59 1.257 -4.162 8.426 1.00 0.00 C ATOM 816 CD1 ILE A 59 2.606 -1.556 9.755 1.00 0.00 C ATOM 0 H ILE A 59 0.741 -3.716 12.276 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.018 -3.390 10.026 1.00 0.00 H new ATOM 0 HB ILE A 59 1.895 -3.912 10.437 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.618 -1.647 8.922 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.655 -1.620 10.674 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.197 -3.812 7.999 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.276 -5.249 8.502 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.431 -3.857 7.783 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.635 -0.467 9.738 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.129 -1.919 10.640 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.092 -1.946 8.861 1.00 0.00 H new ATOM 828 N GLN A 60 -1.764 -5.622 9.479 1.00 0.00 N ATOM 829 CA GLN A 60 -2.239 -6.939 9.090 1.00 0.00 C ATOM 830 C GLN A 60 -2.068 -7.141 7.583 1.00 0.00 C ATOM 831 O GLN A 60 -1.677 -6.219 6.870 1.00 0.00 O ATOM 832 CB GLN A 60 -3.696 -7.143 9.509 1.00 0.00 C ATOM 833 CG GLN A 60 -3.979 -6.470 10.854 1.00 0.00 C ATOM 834 CD GLN A 60 -3.362 -7.267 12.006 1.00 0.00 C ATOM 835 OE1 GLN A 60 -2.854 -8.363 11.835 1.00 0.00 O ATOM 836 NE2 GLN A 60 -3.434 -6.657 13.186 1.00 0.00 N ATOM 0 H GLN A 60 -2.387 -4.854 9.231 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.639 -7.687 9.608 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.358 -6.733 8.747 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.912 -8.209 9.579 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.575 -5.457 10.850 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.055 -6.384 11.002 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.873 -5.739 13.260 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.050 -7.107 14.017 1.00 0.00 H new ATOM 845 N VAL A 61 -2.370 -8.354 7.143 1.00 0.00 N ATOM 846 CA VAL A 61 -2.255 -8.689 5.734 1.00 0.00 C ATOM 847 C VAL A 61 -3.417 -8.054 4.967 1.00 0.00 C ATOM 848 O VAL A 61 -4.506 -7.882 5.513 1.00 0.00 O ATOM 849 CB VAL A 61 -2.184 -10.207 5.561 1.00 0.00 C ATOM 850 CG1 VAL A 61 -2.337 -10.599 4.090 1.00 0.00 C ATOM 851 CG2 VAL A 61 -0.884 -10.765 6.145 1.00 0.00 C ATOM 0 H VAL A 61 -2.694 -9.117 7.738 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.332 -8.285 5.320 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.015 -10.646 6.113 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.283 -11.683 3.995 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.301 -10.250 3.719 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.537 -10.143 3.507 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.859 -11.846 6.009 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.033 -10.315 5.634 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.833 -10.532 7.209 1.00 0.00 H new ATOM 861 N ASN A 62 -3.145 -7.722 3.713 1.00 0.00 N ATOM 862 CA ASN A 62 -4.154 -7.110 2.866 1.00 0.00 C ATOM 863 C ASN A 62 -4.311 -5.637 3.249 1.00 0.00 C ATOM 864 O ASN A 62 -5.123 -4.922 2.664 1.00 0.00 O ATOM 865 CB ASN A 62 -5.512 -7.792 3.045 1.00 0.00 C ATOM 866 CG ASN A 62 -5.359 -9.313 3.099 1.00 0.00 C ATOM 867 OD1 ASN A 62 -5.132 -9.976 2.100 1.00 0.00 O ATOM 868 ND2 ASN A 62 -5.495 -9.828 4.318 1.00 0.00 N ATOM 0 H ASN A 62 -2.241 -7.865 3.264 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.832 -7.214 1.830 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.983 -7.438 3.962 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.172 -7.518 2.222 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.410 -10.835 4.459 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.684 -9.216 5.112 1.00 0.00 H new ATOM 875 N ASP A 63 -3.520 -5.227 4.229 1.00 0.00 N ATOM 876 CA ASP A 63 -3.560 -3.852 4.698 1.00 0.00 C ATOM 877 C ASP A 63 -3.149 -2.917 3.558 1.00 0.00 C ATOM 878 O ASP A 63 -2.511 -3.346 2.598 1.00 0.00 O ATOM 879 CB ASP A 63 -2.588 -3.637 5.859 1.00 0.00 C ATOM 880 CG ASP A 63 -3.148 -3.975 7.242 1.00 0.00 C ATOM 881 OD1 ASP A 63 -4.190 -4.664 7.280 1.00 0.00 O ATOM 882 OD2 ASP A 63 -2.521 -3.537 8.231 1.00 0.00 O ATOM 0 H ASP A 63 -2.847 -5.823 4.712 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.575 -3.640 5.034 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.699 -4.243 5.686 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.269 -2.595 5.858 1.00 0.00 H new ATOM 887 N GLN A 64 -3.531 -1.657 3.702 1.00 0.00 N ATOM 888 CA GLN A 64 -3.211 -0.658 2.697 1.00 0.00 C ATOM 889 C GLN A 64 -2.396 0.478 3.319 1.00 0.00 C ATOM 890 O GLN A 64 -2.920 1.261 4.111 1.00 0.00 O ATOM 891 CB GLN A 64 -4.480 -0.122 2.032 1.00 0.00 C ATOM 892 CG GLN A 64 -4.138 0.797 0.858 1.00 0.00 C ATOM 893 CD GLN A 64 -5.347 1.644 0.454 1.00 0.00 C ATOM 894 OE1 GLN A 64 -6.470 1.405 0.866 1.00 0.00 O ATOM 895 NE2 GLN A 64 -5.055 2.644 -0.373 1.00 0.00 N ATOM 0 H GLN A 64 -4.060 -1.305 4.500 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.607 -1.131 1.922 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.090 -0.954 1.681 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.076 0.424 2.764 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.308 1.449 1.131 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.808 0.200 0.008 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.093 2.788 -0.679 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.793 3.267 -0.701 1.00 0.00 H new ATOM 904 N ILE A 65 -1.129 0.534 2.936 1.00 0.00 N ATOM 905 CA ILE A 65 -0.237 1.561 3.446 1.00 0.00 C ATOM 906 C ILE A 65 -0.515 2.878 2.719 1.00 0.00 C ATOM 907 O ILE A 65 0.106 3.171 1.698 1.00 0.00 O ATOM 908 CB ILE A 65 1.219 1.102 3.351 1.00 0.00 C ATOM 909 CG1 ILE A 65 1.446 -0.172 4.167 1.00 0.00 C ATOM 910 CG2 ILE A 65 2.175 2.224 3.762 1.00 0.00 C ATOM 911 CD1 ILE A 65 2.405 -1.122 3.446 1.00 0.00 C ATOM 0 H ILE A 65 -0.699 -0.116 2.278 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.423 1.735 4.506 1.00 0.00 H new ATOM 0 HB ILE A 65 1.434 0.860 2.310 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.851 0.086 5.145 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.493 -0.673 4.339 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.204 1.872 3.686 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.035 3.081 3.103 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.968 2.520 4.791 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.549 -2.019 4.048 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.985 -1.397 2.478 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.365 -0.627 3.298 1.00 0.00 H new ATOM 923 N VAL A 66 -1.450 3.637 3.273 1.00 0.00 N ATOM 924 CA VAL A 66 -1.817 4.916 2.690 1.00 0.00 C ATOM 925 C VAL A 66 -0.624 5.870 2.769 1.00 0.00 C ATOM 926 O VAL A 66 -0.384 6.648 1.847 1.00 0.00 O ATOM 927 CB VAL A 66 -3.068 5.465 3.379 1.00 0.00 C ATOM 928 CG1 VAL A 66 -3.504 6.790 2.750 1.00 0.00 C ATOM 929 CG2 VAL A 66 -4.205 4.442 3.347 1.00 0.00 C ATOM 0 H VAL A 66 -1.964 3.390 4.119 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.068 4.797 1.636 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.819 5.656 4.423 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.395 7.158 3.258 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.702 7.521 2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.726 6.636 1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.082 4.857 3.843 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.452 4.205 2.312 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.892 3.534 3.863 1.00 0.00 H new ATOM 939 N GLU A 67 0.093 5.779 3.879 1.00 0.00 N ATOM 940 CA GLU A 67 1.256 6.624 4.091 1.00 0.00 C ATOM 941 C GLU A 67 2.314 5.877 4.905 1.00 0.00 C ATOM 942 O GLU A 67 1.991 4.956 5.654 1.00 0.00 O ATOM 943 CB GLU A 67 0.864 7.936 4.774 1.00 0.00 C ATOM 944 CG GLU A 67 2.052 8.539 5.526 1.00 0.00 C ATOM 945 CD GLU A 67 1.639 9.809 6.273 1.00 0.00 C ATOM 946 OE1 GLU A 67 1.438 10.833 5.585 1.00 0.00 O ATOM 947 OE2 GLU A 67 1.535 9.727 7.516 1.00 0.00 O ATOM 0 H GLU A 67 -0.109 5.133 4.642 1.00 0.00 H new ATOM 0 HA GLU A 67 1.682 6.872 3.119 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.503 8.645 4.028 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.042 7.758 5.468 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.448 7.810 6.232 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.853 8.770 4.823 1.00 0.00 H new ATOM 954 N VAL A 68 3.557 6.301 4.732 1.00 0.00 N ATOM 955 CA VAL A 68 4.665 5.684 5.441 1.00 0.00 C ATOM 956 C VAL A 68 5.645 6.769 5.891 1.00 0.00 C ATOM 957 O VAL A 68 6.215 7.478 5.063 1.00 0.00 O ATOM 958 CB VAL A 68 5.318 4.615 4.563 1.00 0.00 C ATOM 959 CG1 VAL A 68 6.830 4.833 4.467 1.00 0.00 C ATOM 960 CG2 VAL A 68 4.998 3.211 5.078 1.00 0.00 C ATOM 0 H VAL A 68 3.822 7.065 4.110 1.00 0.00 H new ATOM 0 HA VAL A 68 4.309 5.176 6.337 1.00 0.00 H new ATOM 0 HB VAL A 68 4.902 4.706 3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.270 4.060 3.837 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.030 5.812 4.032 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.269 4.783 5.463 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.474 2.470 4.436 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.372 3.103 6.096 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.919 3.058 5.070 1.00 0.00 H new ATOM 970 N ASP A 69 5.811 6.865 7.202 1.00 0.00 N ATOM 971 CA ASP A 69 6.712 7.852 7.772 1.00 0.00 C ATOM 972 C ASP A 69 6.372 9.233 7.208 1.00 0.00 C ATOM 973 O ASP A 69 7.208 10.135 7.218 1.00 0.00 O ATOM 974 CB ASP A 69 8.167 7.541 7.414 1.00 0.00 C ATOM 975 CG ASP A 69 8.947 6.778 8.486 1.00 0.00 C ATOM 976 OD1 ASP A 69 8.592 6.944 9.673 1.00 0.00 O ATOM 977 OD2 ASP A 69 9.881 6.045 8.095 1.00 0.00 O ATOM 0 H ASP A 69 5.337 6.275 7.886 1.00 0.00 H new ATOM 0 HA ASP A 69 6.594 7.830 8.855 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.182 6.960 6.492 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.683 8.479 7.208 1.00 0.00 H new ATOM 982 N GLY A 70 5.142 9.355 6.731 1.00 0.00 N ATOM 983 CA GLY A 70 4.681 10.611 6.164 1.00 0.00 C ATOM 984 C GLY A 70 4.563 10.515 4.641 1.00 0.00 C ATOM 985 O GLY A 70 3.759 11.218 4.032 1.00 0.00 O ATOM 0 H GLY A 70 4.451 8.605 6.725 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.713 10.874 6.591 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.374 11.410 6.429 1.00 0.00 H new ATOM 989 N ILE A 71 5.377 9.639 4.071 1.00 0.00 N ATOM 990 CA ILE A 71 5.374 9.442 2.631 1.00 0.00 C ATOM 991 C ILE A 71 4.041 8.822 2.208 1.00 0.00 C ATOM 992 O ILE A 71 3.509 7.954 2.899 1.00 0.00 O ATOM 993 CB ILE A 71 6.596 8.628 2.200 1.00 0.00 C ATOM 994 CG1 ILE A 71 7.880 9.445 2.350 1.00 0.00 C ATOM 995 CG2 ILE A 71 6.421 8.090 0.778 1.00 0.00 C ATOM 996 CD1 ILE A 71 9.097 8.645 1.881 1.00 0.00 C ATOM 0 H ILE A 71 6.043 9.058 4.580 1.00 0.00 H new ATOM 0 HA ILE A 71 5.458 10.398 2.115 1.00 0.00 H new ATOM 0 HB ILE A 71 6.684 7.767 2.862 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.800 10.365 1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.011 9.735 3.392 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.303 7.515 0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.541 7.448 0.738 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.294 8.923 0.087 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.997 9.249 1.998 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.188 7.738 2.478 1.00 0.00 H new ATOM 0 HD13 ILE A 71 8.974 8.377 0.832 1.00 0.00 H new ATOM 1008 N SER A 72 3.539 9.292 1.076 1.00 0.00 N ATOM 1009 CA SER A 72 2.278 8.795 0.552 1.00 0.00 C ATOM 1010 C SER A 72 2.536 7.674 -0.457 1.00 0.00 C ATOM 1011 O SER A 72 3.324 7.840 -1.387 1.00 0.00 O ATOM 1012 CB SER A 72 1.470 9.919 -0.099 1.00 0.00 C ATOM 1013 OG SER A 72 0.460 9.416 -0.969 1.00 0.00 O ATOM 0 H SER A 72 3.983 10.012 0.506 1.00 0.00 H new ATOM 0 HA SER A 72 1.695 8.400 1.384 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.009 10.530 0.677 1.00 0.00 H new ATOM 0 HB3 SER A 72 2.141 10.569 -0.660 1.00 0.00 H new ATOM 0 HG SER A 72 -0.034 10.165 -1.364 1.00 0.00 H new ATOM 1019 N LEU A 73 1.857 6.557 -0.239 1.00 0.00 N ATOM 1020 CA LEU A 73 2.003 5.409 -1.117 1.00 0.00 C ATOM 1021 C LEU A 73 0.698 5.191 -1.884 1.00 0.00 C ATOM 1022 O LEU A 73 0.277 4.053 -2.089 1.00 0.00 O ATOM 1023 CB LEU A 73 2.464 4.184 -0.325 1.00 0.00 C ATOM 1024 CG LEU A 73 3.640 4.404 0.627 1.00 0.00 C ATOM 1025 CD1 LEU A 73 4.132 3.076 1.208 1.00 0.00 C ATOM 1026 CD2 LEU A 73 4.765 5.180 -0.061 1.00 0.00 C ATOM 0 H LEU A 73 1.204 6.423 0.533 1.00 0.00 H new ATOM 0 HA LEU A 73 2.782 5.592 -1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.619 3.811 0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.737 3.401 -1.032 1.00 0.00 H new ATOM 0 HG LEU A 73 3.293 5.012 1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.969 3.261 1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.322 2.597 1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.456 2.422 0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.589 5.323 0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.117 4.619 -0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.392 6.151 -0.385 1.00 0.00 H new ATOM 1038 N VAL A 74 0.093 6.298 -2.288 1.00 0.00 N ATOM 1039 CA VAL A 74 -1.156 6.242 -3.029 1.00 0.00 C ATOM 1040 C VAL A 74 -0.912 6.702 -4.467 1.00 0.00 C ATOM 1041 O VAL A 74 -0.172 7.656 -4.701 1.00 0.00 O ATOM 1042 CB VAL A 74 -2.227 7.066 -2.311 1.00 0.00 C ATOM 1043 CG1 VAL A 74 -3.514 7.130 -3.136 1.00 0.00 C ATOM 1044 CG2 VAL A 74 -2.499 6.511 -0.912 1.00 0.00 C ATOM 0 H VAL A 74 0.445 7.240 -2.116 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.528 5.218 -3.074 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.850 8.083 -2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.259 7.721 -2.603 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.305 7.593 -4.100 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.896 6.121 -3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.264 7.115 -0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.845 5.480 -0.990 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.582 6.542 -0.324 1.00 0.00 H new ATOM 1054 N GLY A 75 -1.548 6.001 -5.395 1.00 0.00 N ATOM 1055 CA GLY A 75 -1.410 6.326 -6.804 1.00 0.00 C ATOM 1056 C GLY A 75 0.060 6.310 -7.229 1.00 0.00 C ATOM 1057 O GLY A 75 0.508 7.190 -7.961 1.00 0.00 O ATOM 0 H GLY A 75 -2.160 5.209 -5.198 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.973 5.610 -7.403 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.838 7.310 -6.998 1.00 0.00 H new ATOM 1061 N VAL A 76 0.770 5.299 -6.750 1.00 0.00 N ATOM 1062 CA VAL A 76 2.180 5.157 -7.070 1.00 0.00 C ATOM 1063 C VAL A 76 2.484 3.688 -7.373 1.00 0.00 C ATOM 1064 O VAL A 76 1.900 2.792 -6.767 1.00 0.00 O ATOM 1065 CB VAL A 76 3.035 5.723 -5.934 1.00 0.00 C ATOM 1066 CG1 VAL A 76 2.602 7.147 -5.580 1.00 0.00 C ATOM 1067 CG2 VAL A 76 2.985 4.812 -4.706 1.00 0.00 C ATOM 0 H VAL A 76 0.395 4.570 -6.143 1.00 0.00 H new ATOM 0 HA VAL A 76 2.429 5.731 -7.962 1.00 0.00 H new ATOM 0 HB VAL A 76 4.068 5.764 -6.279 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.225 7.526 -4.770 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.713 7.789 -6.454 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.559 7.142 -5.263 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.601 5.236 -3.913 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.955 4.725 -4.359 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.363 3.824 -4.970 1.00 0.00 H new ATOM 1077 N THR A 77 3.399 3.488 -8.311 1.00 0.00 N ATOM 1078 CA THR A 77 3.788 2.143 -8.701 1.00 0.00 C ATOM 1079 C THR A 77 4.546 1.456 -7.564 1.00 0.00 C ATOM 1080 O THR A 77 5.314 2.097 -6.848 1.00 0.00 O ATOM 1081 CB THR A 77 4.595 2.242 -9.997 1.00 0.00 C ATOM 1082 OG1 THR A 77 4.912 0.889 -10.313 1.00 0.00 O ATOM 1083 CG2 THR A 77 5.958 2.906 -9.789 1.00 0.00 C ATOM 0 H THR A 77 3.882 4.234 -8.812 1.00 0.00 H new ATOM 0 HA THR A 77 2.915 1.518 -8.891 1.00 0.00 H new ATOM 0 HB THR A 77 4.026 2.806 -10.736 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.434 0.860 -11.142 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.490 2.951 -10.740 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.816 3.916 -9.404 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.541 2.324 -9.075 1.00 0.00 H new ATOM 1091 N GLN A 78 4.304 0.160 -7.433 1.00 0.00 N ATOM 1092 CA GLN A 78 4.955 -0.621 -6.395 1.00 0.00 C ATOM 1093 C GLN A 78 6.403 -0.161 -6.212 1.00 0.00 C ATOM 1094 O GLN A 78 6.849 0.063 -5.088 1.00 0.00 O ATOM 1095 CB GLN A 78 4.892 -2.117 -6.713 1.00 0.00 C ATOM 1096 CG GLN A 78 4.821 -2.948 -5.431 1.00 0.00 C ATOM 1097 CD GLN A 78 4.834 -4.445 -5.746 1.00 0.00 C ATOM 1098 OE1 GLN A 78 4.415 -4.886 -6.803 1.00 0.00 O ATOM 1099 NE2 GLN A 78 5.337 -5.199 -4.772 1.00 0.00 N ATOM 0 H GLN A 78 3.666 -0.369 -8.028 1.00 0.00 H new ATOM 0 HA GLN A 78 4.422 -0.459 -5.458 1.00 0.00 H new ATOM 0 HB2 GLN A 78 4.020 -2.324 -7.333 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.770 -2.407 -7.290 1.00 0.00 H new ATOM 0 HG2 GLN A 78 5.665 -2.701 -4.786 1.00 0.00 H new ATOM 0 HG3 GLN A 78 3.915 -2.697 -4.880 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.671 -4.765 -3.911 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.389 -6.211 -4.886 1.00 0.00 H new ATOM 1108 N ASN A 79 7.095 -0.033 -7.334 1.00 0.00 N ATOM 1109 CA ASN A 79 8.483 0.398 -7.312 1.00 0.00 C ATOM 1110 C ASN A 79 8.646 1.529 -6.295 1.00 0.00 C ATOM 1111 O ASN A 79 9.439 1.419 -5.361 1.00 0.00 O ATOM 1112 CB ASN A 79 8.918 0.927 -8.680 1.00 0.00 C ATOM 1113 CG ASN A 79 10.125 0.151 -9.210 1.00 0.00 C ATOM 1114 OD1 ASN A 79 10.403 -0.967 -8.807 1.00 0.00 O ATOM 1115 ND2 ASN A 79 10.826 0.804 -10.133 1.00 0.00 N ATOM 0 H ASN A 79 6.721 -0.220 -8.264 1.00 0.00 H new ATOM 0 HA ASN A 79 9.098 -0.462 -7.045 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.091 0.845 -9.385 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.167 1.985 -8.602 1.00 0.00 H new ATOM 0 HD21 ASN A 79 11.651 0.371 -10.548 1.00 0.00 H new ATOM 0 HD22 ASN A 79 10.539 1.738 -10.426 1.00 0.00 H new ATOM 1122 N PHE A 80 7.881 2.589 -6.509 1.00 0.00 N ATOM 1123 CA PHE A 80 7.931 3.739 -5.623 1.00 0.00 C ATOM 1124 C PHE A 80 7.790 3.311 -4.161 1.00 0.00 C ATOM 1125 O PHE A 80 8.609 3.680 -3.320 1.00 0.00 O ATOM 1126 CB PHE A 80 6.751 4.641 -5.993 1.00 0.00 C ATOM 1127 CG PHE A 80 6.552 5.826 -5.046 1.00 0.00 C ATOM 1128 CD1 PHE A 80 6.019 5.627 -3.811 1.00 0.00 C ATOM 1129 CD2 PHE A 80 6.910 7.078 -5.440 1.00 0.00 C ATOM 1130 CE1 PHE A 80 5.834 6.727 -2.932 1.00 0.00 C ATOM 1131 CE2 PHE A 80 6.725 8.178 -4.561 1.00 0.00 C ATOM 1132 CZ PHE A 80 6.191 7.979 -3.326 1.00 0.00 C ATOM 0 H PHE A 80 7.223 2.676 -7.283 1.00 0.00 H new ATOM 0 HA PHE A 80 8.886 4.252 -5.734 1.00 0.00 H new ATOM 0 HB2 PHE A 80 6.899 5.019 -7.005 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.840 4.043 -6.006 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.736 4.633 -3.499 1.00 0.00 H new ATOM 0 HD2 PHE A 80 7.335 7.235 -6.421 1.00 0.00 H new ATOM 0 HE1 PHE A 80 5.410 6.570 -1.951 1.00 0.00 H new ATOM 0 HE2 PHE A 80 7.008 9.172 -4.873 1.00 0.00 H new ATOM 0 HZ PHE A 80 6.050 8.816 -2.658 1.00 0.00 H new ATOM 1142 N ALA A 81 6.746 2.537 -3.902 1.00 0.00 N ATOM 1143 CA ALA A 81 6.487 2.055 -2.556 1.00 0.00 C ATOM 1144 C ALA A 81 7.733 1.343 -2.026 1.00 0.00 C ATOM 1145 O ALA A 81 8.202 1.639 -0.928 1.00 0.00 O ATOM 1146 CB ALA A 81 5.257 1.145 -2.567 1.00 0.00 C ATOM 0 H ALA A 81 6.070 2.232 -4.602 1.00 0.00 H new ATOM 0 HA ALA A 81 6.271 2.887 -1.885 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.063 0.783 -1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.393 1.705 -2.924 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.438 0.297 -3.227 1.00 0.00 H new ATOM 1152 N ALA A 82 8.234 0.417 -2.831 1.00 0.00 N ATOM 1153 CA ALA A 82 9.417 -0.339 -2.457 1.00 0.00 C ATOM 1154 C ALA A 82 10.493 0.623 -1.949 1.00 0.00 C ATOM 1155 O ALA A 82 11.101 0.386 -0.907 1.00 0.00 O ATOM 1156 CB ALA A 82 9.893 -1.168 -3.652 1.00 0.00 C ATOM 0 H ALA A 82 7.842 0.173 -3.741 1.00 0.00 H new ATOM 0 HA ALA A 82 9.188 -1.034 -1.649 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.781 -1.735 -3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.104 -1.856 -3.955 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.134 -0.504 -4.482 1.00 0.00 H new ATOM 1162 N THR A 83 10.695 1.689 -2.710 1.00 0.00 N ATOM 1163 CA THR A 83 11.687 2.687 -2.350 1.00 0.00 C ATOM 1164 C THR A 83 11.398 3.250 -0.957 1.00 0.00 C ATOM 1165 O THR A 83 12.271 3.254 -0.092 1.00 0.00 O ATOM 1166 CB THR A 83 11.701 3.756 -3.446 1.00 0.00 C ATOM 1167 OG1 THR A 83 12.108 3.049 -4.614 1.00 0.00 O ATOM 1168 CG2 THR A 83 12.804 4.795 -3.236 1.00 0.00 C ATOM 0 H THR A 83 10.189 1.883 -3.574 1.00 0.00 H new ATOM 0 HA THR A 83 12.683 2.249 -2.289 1.00 0.00 H new ATOM 0 HB THR A 83 10.733 4.256 -3.478 1.00 0.00 H new ATOM 0 HG1 THR A 83 12.142 3.666 -5.375 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.770 5.530 -4.041 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.654 5.297 -2.280 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.775 4.300 -3.238 1.00 0.00 H new ATOM 1176 N VAL A 84 10.167 3.710 -0.784 1.00 0.00 N ATOM 1177 CA VAL A 84 9.751 4.273 0.489 1.00 0.00 C ATOM 1178 C VAL A 84 10.079 3.285 1.610 1.00 0.00 C ATOM 1179 O VAL A 84 10.778 3.629 2.562 1.00 0.00 O ATOM 1180 CB VAL A 84 8.269 4.648 0.436 1.00 0.00 C ATOM 1181 CG1 VAL A 84 7.785 5.163 1.793 1.00 0.00 C ATOM 1182 CG2 VAL A 84 8.001 5.673 -0.667 1.00 0.00 C ATOM 0 H VAL A 84 9.445 3.704 -1.504 1.00 0.00 H new ATOM 0 HA VAL A 84 10.297 5.193 0.697 1.00 0.00 H new ATOM 0 HB VAL A 84 7.704 3.747 0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.728 5.423 1.728 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.922 4.387 2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.359 6.046 2.073 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.940 5.922 -0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.582 6.575 -0.475 1.00 0.00 H new ATOM 0 HG23 VAL A 84 8.289 5.254 -1.631 1.00 0.00 H new ATOM 1192 N LEU A 85 9.558 2.076 1.461 1.00 0.00 N ATOM 1193 CA LEU A 85 9.786 1.036 2.449 1.00 0.00 C ATOM 1194 C LEU A 85 11.286 0.749 2.545 1.00 0.00 C ATOM 1195 O LEU A 85 11.754 0.197 3.539 1.00 0.00 O ATOM 1196 CB LEU A 85 8.943 -0.201 2.130 1.00 0.00 C ATOM 1197 CG LEU A 85 7.435 0.030 2.002 1.00 0.00 C ATOM 1198 CD1 LEU A 85 6.746 -1.185 1.378 1.00 0.00 C ATOM 1199 CD2 LEU A 85 6.822 0.407 3.352 1.00 0.00 C ATOM 0 H LEU A 85 8.979 1.794 0.671 1.00 0.00 H new ATOM 0 HA LEU A 85 9.461 1.370 3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.305 -0.632 1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.112 -0.943 2.911 1.00 0.00 H new ATOM 0 HG LEU A 85 7.274 0.872 1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.676 -0.995 1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.157 -1.366 0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.913 -2.060 2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.750 0.566 3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.993 -0.398 4.067 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.286 1.323 3.719 1.00 0.00 H new ATOM 1211 N ARG A 86 11.998 1.138 1.497 1.00 0.00 N ATOM 1212 CA ARG A 86 13.435 0.929 1.451 1.00 0.00 C ATOM 1213 C ARG A 86 14.164 2.116 2.084 1.00 0.00 C ATOM 1214 O ARG A 86 15.288 1.974 2.563 1.00 0.00 O ATOM 1215 CB ARG A 86 13.919 0.752 0.010 1.00 0.00 C ATOM 1216 CG ARG A 86 15.447 0.786 -0.063 1.00 0.00 C ATOM 1217 CD ARG A 86 15.981 -0.358 -0.927 1.00 0.00 C ATOM 1218 NE ARG A 86 17.190 -0.941 -0.304 1.00 0.00 N ATOM 1219 CZ ARG A 86 17.196 -1.576 0.875 1.00 0.00 C ATOM 1220 NH1 ARG A 86 16.057 -1.714 1.567 1.00 0.00 N ATOM 1221 NH2 ARG A 86 18.341 -2.073 1.363 1.00 0.00 N ATOM 0 H ARG A 86 11.607 1.596 0.674 1.00 0.00 H new ATOM 0 HA ARG A 86 13.657 0.021 2.012 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.553 -0.195 -0.386 1.00 0.00 H new ATOM 0 HB3 ARG A 86 13.504 1.541 -0.617 1.00 0.00 H new ATOM 0 HG2 ARG A 86 15.774 1.741 -0.475 1.00 0.00 H new ATOM 0 HG3 ARG A 86 15.864 0.713 0.941 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.215 -1.125 -1.043 1.00 0.00 H new ATOM 0 HD3 ARG A 86 16.218 0.009 -1.926 1.00 0.00 H new ATOM 0 HE ARG A 86 18.075 -0.854 -0.804 1.00 0.00 H new ATOM 0 HH11 ARG A 86 15.186 -1.335 1.196 1.00 0.00 H new ATOM 0 HH12 ARG A 86 16.061 -2.198 2.465 1.00 0.00 H new ATOM 0 HH21 ARG A 86 19.208 -1.968 0.836 1.00 0.00 H new ATOM 0 HH22 ARG A 86 18.345 -2.557 2.261 1.00 0.00 H new ATOM 1235 N ASN A 87 13.495 3.259 2.065 1.00 0.00 N ATOM 1236 CA ASN A 87 14.065 4.470 2.632 1.00 0.00 C ATOM 1237 C ASN A 87 13.848 4.470 4.147 1.00 0.00 C ATOM 1238 O ASN A 87 14.715 4.907 4.901 1.00 0.00 O ATOM 1239 CB ASN A 87 13.391 5.717 2.058 1.00 0.00 C ATOM 1240 CG ASN A 87 14.244 6.342 0.952 1.00 0.00 C ATOM 1241 OD1 ASN A 87 13.718 6.232 -0.264 1.00 0.00 O flip ATOM 1242 ND2 ASN A 87 15.310 6.887 1.188 1.00 0.00 N flip ATOM 0 H ASN A 87 12.563 3.373 1.666 1.00 0.00 H new ATOM 0 HA ASN A 87 15.127 4.489 2.387 1.00 0.00 H new ATOM 0 HB2 ASN A 87 12.410 5.455 1.661 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.229 6.445 2.853 1.00 0.00 H new ATOM 0 HD21 ASN A 87 15.656 6.937 2.146 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.855 7.293 0.427 1.00 0.00 H new ATOM 1249 N THR A 88 12.686 3.974 4.546 1.00 0.00 N ATOM 1250 CA THR A 88 12.344 3.912 5.957 1.00 0.00 C ATOM 1251 C THR A 88 13.581 3.573 6.791 1.00 0.00 C ATOM 1252 O THR A 88 14.492 2.899 6.312 1.00 0.00 O ATOM 1253 CB THR A 88 11.205 2.905 6.123 1.00 0.00 C ATOM 1254 OG1 THR A 88 11.574 1.820 5.277 1.00 0.00 O ATOM 1255 CG2 THR A 88 9.887 3.408 5.531 1.00 0.00 C ATOM 0 H THR A 88 11.970 3.611 3.917 1.00 0.00 H new ATOM 0 HA THR A 88 11.999 4.879 6.323 1.00 0.00 H new ATOM 0 HB THR A 88 11.067 2.686 7.182 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.489 1.538 5.487 1.00 0.00 H new ATOM 0 HG21 THR A 88 9.112 2.655 5.676 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.593 4.332 6.030 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.015 3.596 4.465 1.00 0.00 H new ATOM 1263 N LYS A 89 13.575 4.057 8.024 1.00 0.00 N ATOM 1264 CA LYS A 89 14.685 3.814 8.929 1.00 0.00 C ATOM 1265 C LYS A 89 14.157 3.184 10.220 1.00 0.00 C ATOM 1266 O LYS A 89 12.986 2.815 10.301 1.00 0.00 O ATOM 1267 CB LYS A 89 15.484 5.099 9.155 1.00 0.00 C ATOM 1268 CG LYS A 89 16.214 5.522 7.878 1.00 0.00 C ATOM 1269 CD LYS A 89 17.334 6.516 8.190 1.00 0.00 C ATOM 1270 CE LYS A 89 17.195 7.783 7.345 1.00 0.00 C ATOM 1271 NZ LYS A 89 18.322 8.707 7.605 1.00 0.00 N ATOM 0 H LYS A 89 12.819 4.617 8.418 1.00 0.00 H new ATOM 0 HA LYS A 89 15.385 3.103 8.490 1.00 0.00 H new ATOM 0 HB2 LYS A 89 14.814 5.896 9.476 1.00 0.00 H new ATOM 0 HB3 LYS A 89 16.206 4.946 9.957 1.00 0.00 H new ATOM 0 HG2 LYS A 89 16.630 4.643 7.385 1.00 0.00 H new ATOM 0 HG3 LYS A 89 15.506 5.973 7.183 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.310 6.776 9.248 1.00 0.00 H new ATOM 0 HD3 LYS A 89 18.301 6.051 7.998 1.00 0.00 H new ATOM 0 HE2 LYS A 89 17.169 7.521 6.287 1.00 0.00 H new ATOM 0 HE3 LYS A 89 16.251 8.278 7.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 18.211 9.562 7.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 18.329 8.971 8.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.218 8.238 7.364 1.00 0.00 H new ATOM 1285 N GLY A 90 15.046 3.079 11.196 1.00 0.00 N ATOM 1286 CA GLY A 90 14.685 2.500 12.479 1.00 0.00 C ATOM 1287 C GLY A 90 13.169 2.533 12.688 1.00 0.00 C ATOM 1288 O GLY A 90 12.484 1.541 12.445 1.00 0.00 O ATOM 0 H GLY A 90 16.016 3.385 11.124 1.00 0.00 H new ATOM 0 HA2 GLY A 90 15.041 1.471 12.531 1.00 0.00 H new ATOM 0 HA3 GLY A 90 15.178 3.048 13.281 1.00 0.00 H new ATOM 1292 N ASN A 91 12.691 3.685 13.136 1.00 0.00 N ATOM 1293 CA ASN A 91 11.269 3.861 13.380 1.00 0.00 C ATOM 1294 C ASN A 91 10.569 4.207 12.064 1.00 0.00 C ATOM 1295 O ASN A 91 11.109 4.950 11.246 1.00 0.00 O ATOM 1296 CB ASN A 91 11.017 5.004 14.364 1.00 0.00 C ATOM 1297 CG ASN A 91 9.518 5.205 14.599 1.00 0.00 C ATOM 1298 OD1 ASN A 91 8.893 6.100 14.055 1.00 0.00 O ATOM 1299 ND2 ASN A 91 8.979 4.324 15.437 1.00 0.00 N ATOM 0 H ASN A 91 13.263 4.505 13.336 1.00 0.00 H new ATOM 0 HA ASN A 91 10.881 2.932 13.799 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.512 4.789 15.311 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.455 5.924 13.978 1.00 0.00 H new ATOM 0 HD21 ASN A 91 7.985 4.373 15.659 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.560 3.599 15.858 1.00 0.00 H new ATOM 1306 N VAL A 92 9.377 3.651 11.901 1.00 0.00 N ATOM 1307 CA VAL A 92 8.598 3.892 10.699 1.00 0.00 C ATOM 1308 C VAL A 92 7.121 4.031 11.073 1.00 0.00 C ATOM 1309 O VAL A 92 6.592 3.227 11.839 1.00 0.00 O ATOM 1310 CB VAL A 92 8.853 2.781 9.678 1.00 0.00 C ATOM 1311 CG1 VAL A 92 8.134 3.071 8.360 1.00 0.00 C ATOM 1312 CG2 VAL A 92 10.353 2.579 9.452 1.00 0.00 C ATOM 0 H VAL A 92 8.932 3.035 12.581 1.00 0.00 H new ATOM 0 HA VAL A 92 8.904 4.826 10.227 1.00 0.00 H new ATOM 0 HB VAL A 92 8.447 1.854 10.083 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.332 2.266 7.653 1.00 0.00 H new ATOM 0 HG12 VAL A 92 7.061 3.141 8.539 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.496 4.013 7.948 1.00 0.00 H new ATOM 0 HG21 VAL A 92 10.507 1.784 8.722 1.00 0.00 H new ATOM 0 HG22 VAL A 92 10.793 3.504 9.079 1.00 0.00 H new ATOM 0 HG23 VAL A 92 10.829 2.305 10.393 1.00 0.00 H new ATOM 1322 N ARG A 93 6.496 5.058 10.515 1.00 0.00 N ATOM 1323 CA ARG A 93 5.091 5.313 10.781 1.00 0.00 C ATOM 1324 C ARG A 93 4.238 4.888 9.583 1.00 0.00 C ATOM 1325 O ARG A 93 4.230 5.561 8.553 1.00 0.00 O ATOM 1326 CB ARG A 93 4.845 6.794 11.073 1.00 0.00 C ATOM 1327 CG ARG A 93 4.037 6.972 12.360 1.00 0.00 C ATOM 1328 CD ARG A 93 3.273 8.298 12.349 1.00 0.00 C ATOM 1329 NE ARG A 93 3.362 8.945 13.677 1.00 0.00 N ATOM 1330 CZ ARG A 93 4.394 9.698 14.079 1.00 0.00 C ATOM 1331 NH1 ARG A 93 5.433 9.903 13.257 1.00 0.00 N ATOM 1332 NH2 ARG A 93 4.389 10.245 15.302 1.00 0.00 N ATOM 0 H ARG A 93 6.937 5.723 9.880 1.00 0.00 H new ATOM 0 HA ARG A 93 4.809 4.730 11.658 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.799 7.314 11.163 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.312 7.249 10.239 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.336 6.145 12.471 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.705 6.940 13.221 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.685 8.958 11.586 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.229 8.123 12.090 1.00 0.00 H new ATOM 0 HE ARG A 93 2.588 8.809 14.327 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.437 9.486 12.326 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.219 10.476 13.562 1.00 0.00 H new ATOM 0 HH21 ARG A 93 3.599 10.088 15.928 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.175 10.818 15.607 1.00 0.00 H new ATOM 1346 N PHE A 94 3.542 3.775 9.757 1.00 0.00 N ATOM 1347 CA PHE A 94 2.689 3.253 8.703 1.00 0.00 C ATOM 1348 C PHE A 94 1.223 3.613 8.956 1.00 0.00 C ATOM 1349 O PHE A 94 0.658 3.242 9.983 1.00 0.00 O ATOM 1350 CB PHE A 94 2.838 1.730 8.720 1.00 0.00 C ATOM 1351 CG PHE A 94 4.238 1.238 8.347 1.00 0.00 C ATOM 1352 CD1 PHE A 94 4.604 1.156 7.040 1.00 0.00 C ATOM 1353 CD2 PHE A 94 5.116 0.883 9.322 1.00 0.00 C ATOM 1354 CE1 PHE A 94 5.903 0.699 6.693 1.00 0.00 C ATOM 1355 CE2 PHE A 94 6.415 0.426 8.976 1.00 0.00 C ATOM 1356 CZ PHE A 94 6.781 0.344 7.669 1.00 0.00 C ATOM 0 H PHE A 94 3.551 3.220 10.612 1.00 0.00 H new ATOM 0 HA PHE A 94 2.980 3.680 7.743 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.588 1.362 9.715 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.115 1.297 8.028 1.00 0.00 H new ATOM 0 HD1 PHE A 94 3.906 1.439 6.265 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.825 0.949 10.360 1.00 0.00 H new ATOM 0 HE1 PHE A 94 6.193 0.633 5.655 1.00 0.00 H new ATOM 0 HE2 PHE A 94 7.112 0.144 9.751 1.00 0.00 H new ATOM 0 HZ PHE A 94 7.769 -0.003 7.406 1.00 0.00 H new ATOM 1366 N VAL A 95 0.650 4.331 8.001 1.00 0.00 N ATOM 1367 CA VAL A 95 -0.738 4.745 8.107 1.00 0.00 C ATOM 1368 C VAL A 95 -1.609 3.814 7.261 1.00 0.00 C ATOM 1369 O VAL A 95 -1.798 4.049 6.068 1.00 0.00 O ATOM 1370 CB VAL A 95 -0.877 6.217 7.713 1.00 0.00 C ATOM 1371 CG1 VAL A 95 -2.280 6.511 7.178 1.00 0.00 C ATOM 1372 CG2 VAL A 95 -0.535 7.134 8.889 1.00 0.00 C ATOM 0 H VAL A 95 1.122 4.636 7.150 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.083 4.665 9.138 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.164 6.419 6.913 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.352 7.564 6.905 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.471 5.895 6.300 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.018 6.284 7.948 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.642 8.174 8.582 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.211 6.929 9.719 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.492 6.953 9.205 1.00 0.00 H new ATOM 1382 N ILE A 96 -2.118 2.778 7.911 1.00 0.00 N ATOM 1383 CA ILE A 96 -2.964 1.811 7.233 1.00 0.00 C ATOM 1384 C ILE A 96 -4.384 2.371 7.123 1.00 0.00 C ATOM 1385 O ILE A 96 -4.762 3.265 7.879 1.00 0.00 O ATOM 1386 CB ILE A 96 -2.891 0.452 7.931 1.00 0.00 C ATOM 1387 CG1 ILE A 96 -1.468 0.157 8.411 1.00 0.00 C ATOM 1388 CG2 ILE A 96 -3.433 -0.658 7.029 1.00 0.00 C ATOM 1389 CD1 ILE A 96 -0.437 0.603 7.373 1.00 0.00 C ATOM 0 H ILE A 96 -1.961 2.587 8.901 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.608 1.640 6.217 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.528 0.488 8.815 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.285 0.670 9.355 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.359 -0.910 8.602 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.369 -1.613 7.550 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.473 -0.449 6.780 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.843 -0.704 6.114 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.566 0.382 7.738 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.608 0.070 6.438 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.533 1.675 7.202 1.00 0.00 H new ATOM 1401 N GLY A 97 -5.131 1.822 6.177 1.00 0.00 N ATOM 1402 CA GLY A 97 -6.501 2.255 5.959 1.00 0.00 C ATOM 1403 C GLY A 97 -7.474 1.082 6.087 1.00 0.00 C ATOM 1404 O GLY A 97 -7.383 0.111 5.337 1.00 0.00 O ATOM 0 H GLY A 97 -4.814 1.081 5.552 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.761 3.028 6.682 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.592 2.701 4.969 1.00 0.00 H new ATOM 1408 N ARG A 98 -8.383 1.210 7.042 1.00 0.00 N ATOM 1409 CA ARG A 98 -9.373 0.172 7.278 1.00 0.00 C ATOM 1410 C ARG A 98 -10.783 0.722 7.054 1.00 0.00 C ATOM 1411 O ARG A 98 -11.028 1.911 7.253 1.00 0.00 O ATOM 1412 CB ARG A 98 -9.267 -0.377 8.702 1.00 0.00 C ATOM 1413 CG ARG A 98 -8.824 -1.842 8.693 1.00 0.00 C ATOM 1414 CD ARG A 98 -8.010 -2.176 9.945 1.00 0.00 C ATOM 1415 NE ARG A 98 -7.099 -3.309 9.669 1.00 0.00 N ATOM 1416 CZ ARG A 98 -7.500 -4.581 9.541 1.00 0.00 C ATOM 1417 NH1 ARG A 98 -8.799 -4.890 9.663 1.00 0.00 N ATOM 1418 NH2 ARG A 98 -6.604 -5.545 9.290 1.00 0.00 N ATOM 0 H ARG A 98 -8.455 2.017 7.662 1.00 0.00 H new ATOM 0 HA ARG A 98 -9.179 -0.637 6.574 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.555 0.219 9.273 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -10.231 -0.288 9.203 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.699 -2.490 8.640 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.227 -2.040 7.803 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.435 -1.304 10.258 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.679 -2.429 10.767 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.104 -3.109 9.570 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.482 -4.157 9.853 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -9.104 -5.858 9.566 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -5.616 -5.311 9.196 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -6.910 -6.513 9.193 1.00 0.00 H new ATOM 1432 N GLU A 99 -11.673 -0.169 6.643 1.00 0.00 N ATOM 1433 CA GLU A 99 -13.052 0.212 6.390 1.00 0.00 C ATOM 1434 C GLU A 99 -13.738 0.621 7.696 1.00 0.00 C ATOM 1435 O GLU A 99 -13.742 -0.139 8.663 1.00 0.00 O ATOM 1436 CB GLU A 99 -13.816 -0.919 5.700 1.00 0.00 C ATOM 1437 CG GLU A 99 -13.884 -0.693 4.189 1.00 0.00 C ATOM 1438 CD GLU A 99 -14.017 -2.022 3.441 1.00 0.00 C ATOM 1439 OE1 GLU A 99 -13.209 -2.926 3.743 1.00 0.00 O ATOM 1440 OE2 GLU A 99 -14.924 -2.102 2.584 1.00 0.00 O ATOM 0 H GLU A 99 -11.466 -1.154 6.479 1.00 0.00 H new ATOM 0 HA GLU A 99 -13.054 1.070 5.717 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -13.328 -1.871 5.907 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -14.825 -0.982 6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -14.733 -0.051 3.951 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.987 -0.172 3.855 1.00 0.00 H new