USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=8 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 Set 1.1: A 17 LYS NZ :NH3+ 176:sc= 0.701 (180deg=0.584) USER MOD Set 1.2: A 88 THR OG1 : rot -148:sc= -1.14! USER MOD Single : A 25 SER OG : rot -160:sc= -0.0818 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 180:sc= -0.364 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -1.27 K(o=-1.3,f=-4.1!) USER MOD Single : A 60 GLN : amide:sc= -0.22 K(o=-0.22,f=-2.2!) USER MOD Single : A 62 ASN : amide:sc= -4.04! C(o=-4!,f=-4.2!) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 72 SER OG : rot 180:sc= 0.049 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 79 ASN : amide:sc= -0.0131 K(o=-0.013,f=-1.4!) USER MOD Single : A 83 THR OG1 : rot 77:sc= 0.0906 USER MOD Single : A 87 ASN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.668 K(o=-0.67,f=-0.071) USER MOD ----------------------------------------------------------------- ATOM 85 N GLU A 9 -10.575 4.126 7.579 1.00 0.00 N ATOM 86 CA GLU A 9 -9.951 4.385 8.865 1.00 0.00 C ATOM 87 C GLU A 9 -8.434 4.509 8.704 1.00 0.00 C ATOM 88 O GLU A 9 -7.723 3.506 8.698 1.00 0.00 O ATOM 89 CB GLU A 9 -10.307 3.294 9.877 1.00 0.00 C ATOM 90 CG GLU A 9 -9.143 3.034 10.835 1.00 0.00 C ATOM 91 CD GLU A 9 -9.645 2.486 12.172 1.00 0.00 C ATOM 92 OE1 GLU A 9 -10.006 1.290 12.197 1.00 0.00 O ATOM 93 OE2 GLU A 9 -9.658 3.277 13.141 1.00 0.00 O ATOM 0 HA GLU A 9 -10.335 5.330 9.249 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.189 3.592 10.443 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.562 2.374 9.351 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.449 2.325 10.385 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.591 3.959 11.001 1.00 0.00 H new ATOM 100 N LEU A 10 -7.984 5.749 8.577 1.00 0.00 N ATOM 101 CA LEU A 10 -6.566 6.017 8.416 1.00 0.00 C ATOM 102 C LEU A 10 -5.945 6.298 9.787 1.00 0.00 C ATOM 103 O LEU A 10 -6.225 7.327 10.400 1.00 0.00 O ATOM 104 CB LEU A 10 -6.344 7.140 7.400 1.00 0.00 C ATOM 105 CG LEU A 10 -7.002 6.946 6.032 1.00 0.00 C ATOM 106 CD1 LEU A 10 -6.594 8.058 5.065 1.00 0.00 C ATOM 107 CD2 LEU A 10 -6.697 5.556 5.470 1.00 0.00 C ATOM 0 H LEU A 10 -8.577 6.579 8.582 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.058 5.143 8.008 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.714 8.071 7.830 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.271 7.262 7.251 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.083 7.012 6.160 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.075 7.896 4.101 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.904 9.022 5.468 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.512 8.049 4.936 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.176 5.444 4.497 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.619 5.437 5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.078 4.796 6.152 1.00 0.00 H new ATOM 119 N PHE A 11 -5.115 5.364 10.227 1.00 0.00 N ATOM 120 CA PHE A 11 -4.453 5.497 11.513 1.00 0.00 C ATOM 121 C PHE A 11 -2.951 5.232 11.387 1.00 0.00 C ATOM 122 O PHE A 11 -2.539 4.281 10.725 1.00 0.00 O ATOM 123 CB PHE A 11 -5.068 4.450 12.444 1.00 0.00 C ATOM 124 CG PHE A 11 -5.038 3.026 11.883 1.00 0.00 C ATOM 125 CD1 PHE A 11 -5.963 2.637 10.966 1.00 0.00 C ATOM 126 CD2 PHE A 11 -4.086 2.150 12.303 1.00 0.00 C ATOM 127 CE1 PHE A 11 -5.935 1.315 10.446 1.00 0.00 C ATOM 128 CE2 PHE A 11 -4.058 0.829 11.783 1.00 0.00 C ATOM 129 CZ PHE A 11 -4.983 0.440 10.866 1.00 0.00 C ATOM 0 H PHE A 11 -4.886 4.512 9.715 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.585 6.509 11.896 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.536 4.466 13.395 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.102 4.726 12.652 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.719 3.333 10.633 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.351 2.459 13.032 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.670 1.005 9.717 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.302 0.133 12.116 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.962 -0.565 10.471 1.00 0.00 H new ATOM 139 N PRO A 12 -2.155 6.112 12.051 1.00 0.00 N ATOM 140 CA PRO A 12 -0.708 5.983 12.019 1.00 0.00 C ATOM 141 C PRO A 12 -0.241 4.833 12.914 1.00 0.00 C ATOM 142 O PRO A 12 -0.706 4.692 14.044 1.00 0.00 O ATOM 143 CB PRO A 12 -0.182 7.336 12.469 1.00 0.00 C ATOM 144 CG PRO A 12 -1.340 8.019 13.177 1.00 0.00 C ATOM 145 CD PRO A 12 -2.609 7.250 12.845 1.00 0.00 C ATOM 0 HA PRO A 12 -0.330 5.733 11.028 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.671 7.221 13.138 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.158 7.926 11.618 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.173 8.034 14.254 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.427 9.056 12.854 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.122 6.923 13.749 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.312 7.868 12.286 1.00 0.00 H new ATOM 153 N VAL A 13 0.673 4.039 12.375 1.00 0.00 N ATOM 154 CA VAL A 13 1.208 2.906 13.110 1.00 0.00 C ATOM 155 C VAL A 13 2.736 2.980 13.112 1.00 0.00 C ATOM 156 O VAL A 13 3.363 2.959 12.054 1.00 0.00 O ATOM 157 CB VAL A 13 0.673 1.600 12.520 1.00 0.00 C ATOM 158 CG1 VAL A 13 1.430 0.394 13.081 1.00 0.00 C ATOM 159 CG2 VAL A 13 -0.831 1.464 12.762 1.00 0.00 C ATOM 0 H VAL A 13 1.057 4.158 11.437 1.00 0.00 H new ATOM 0 HA VAL A 13 0.880 2.936 14.149 1.00 0.00 H new ATOM 0 HB VAL A 13 0.837 1.627 11.443 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.030 -0.522 12.645 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.488 0.481 12.834 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.312 0.362 14.164 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.185 0.527 12.332 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.029 1.470 13.834 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.352 2.298 12.292 1.00 0.00 H new ATOM 169 N GLU A 14 3.291 3.066 14.312 1.00 0.00 N ATOM 170 CA GLU A 14 4.734 3.143 14.465 1.00 0.00 C ATOM 171 C GLU A 14 5.351 1.744 14.398 1.00 0.00 C ATOM 172 O GLU A 14 4.838 0.806 15.007 1.00 0.00 O ATOM 173 CB GLU A 14 5.110 3.847 15.771 1.00 0.00 C ATOM 174 CG GLU A 14 4.997 5.366 15.627 1.00 0.00 C ATOM 175 CD GLU A 14 4.191 5.967 16.780 1.00 0.00 C ATOM 176 OE1 GLU A 14 3.108 5.412 17.066 1.00 0.00 O ATOM 177 OE2 GLU A 14 4.676 6.968 17.350 1.00 0.00 O ATOM 0 H GLU A 14 2.768 3.084 15.187 1.00 0.00 H new ATOM 0 HA GLU A 14 5.136 3.735 13.643 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.457 3.505 16.574 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.129 3.580 16.052 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.993 5.808 15.606 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.519 5.611 14.678 1.00 0.00 H new ATOM 184 N LEU A 15 6.443 1.649 13.654 1.00 0.00 N ATOM 185 CA LEU A 15 7.134 0.380 13.500 1.00 0.00 C ATOM 186 C LEU A 15 8.643 0.610 13.616 1.00 0.00 C ATOM 187 O LEU A 15 9.182 1.536 13.012 1.00 0.00 O ATOM 188 CB LEU A 15 6.715 -0.304 12.198 1.00 0.00 C ATOM 189 CG LEU A 15 5.935 -1.612 12.349 1.00 0.00 C ATOM 190 CD1 LEU A 15 5.623 -2.225 10.982 1.00 0.00 C ATOM 191 CD2 LEU A 15 6.677 -2.591 13.260 1.00 0.00 C ATOM 0 H LEU A 15 6.866 2.429 13.152 1.00 0.00 H new ATOM 0 HA LEU A 15 6.852 -0.307 14.298 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.107 0.394 11.623 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.611 -0.504 11.611 1.00 0.00 H new ATOM 0 HG LEU A 15 4.981 -1.388 12.827 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.068 -3.153 11.118 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.024 -1.526 10.398 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.554 -2.432 10.455 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.101 -3.512 13.350 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.655 -2.815 12.834 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.805 -2.145 14.246 1.00 0.00 H new ATOM 203 N GLU A 16 9.281 -0.250 14.396 1.00 0.00 N ATOM 204 CA GLU A 16 10.717 -0.153 14.599 1.00 0.00 C ATOM 205 C GLU A 16 11.446 -1.188 13.740 1.00 0.00 C ATOM 206 O GLU A 16 11.256 -2.390 13.916 1.00 0.00 O ATOM 207 CB GLU A 16 11.074 -0.317 16.078 1.00 0.00 C ATOM 208 CG GLU A 16 11.252 1.044 16.754 1.00 0.00 C ATOM 209 CD GLU A 16 12.109 0.921 18.016 1.00 0.00 C ATOM 210 OE1 GLU A 16 11.522 0.597 19.071 1.00 0.00 O ATOM 211 OE2 GLU A 16 13.331 1.155 17.897 1.00 0.00 O ATOM 0 H GLU A 16 8.830 -1.017 14.895 1.00 0.00 H new ATOM 0 HA GLU A 16 11.042 0.840 14.289 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.289 -0.879 16.585 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.992 -0.896 16.172 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.720 1.741 16.059 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.277 1.457 17.011 1.00 0.00 H new ATOM 218 N LYS A 17 12.265 -0.683 12.829 1.00 0.00 N ATOM 219 CA LYS A 17 13.023 -1.549 11.942 1.00 0.00 C ATOM 220 C LYS A 17 13.803 -2.568 12.776 1.00 0.00 C ATOM 221 O LYS A 17 14.156 -2.297 13.923 1.00 0.00 O ATOM 222 CB LYS A 17 13.902 -0.719 11.005 1.00 0.00 C ATOM 223 CG LYS A 17 13.142 -0.343 9.731 1.00 0.00 C ATOM 224 CD LYS A 17 14.080 0.287 8.699 1.00 0.00 C ATOM 225 CE LYS A 17 13.433 0.313 7.313 1.00 0.00 C ATOM 226 NZ LYS A 17 14.408 0.760 6.294 1.00 0.00 N ATOM 0 H LYS A 17 12.420 0.315 12.686 1.00 0.00 H new ATOM 0 HA LYS A 17 12.352 -2.113 11.294 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.232 0.185 11.516 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.798 -1.284 10.745 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.673 -1.231 9.307 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.341 0.355 9.974 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.334 1.302 9.005 1.00 0.00 H new ATOM 0 HD3 LYS A 17 15.012 -0.276 8.658 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.063 -0.680 7.059 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.572 0.982 7.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.973 0.707 5.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.690 1.741 6.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.247 0.146 6.323 1.00 0.00 H new ATOM 240 N ASP A 18 14.050 -3.718 12.167 1.00 0.00 N ATOM 241 CA ASP A 18 14.783 -4.778 12.838 1.00 0.00 C ATOM 242 C ASP A 18 15.917 -5.262 11.932 1.00 0.00 C ATOM 243 O ASP A 18 16.057 -4.794 10.803 1.00 0.00 O ATOM 244 CB ASP A 18 13.874 -5.972 13.136 1.00 0.00 C ATOM 245 CG ASP A 18 12.529 -5.618 13.775 1.00 0.00 C ATOM 246 OD1 ASP A 18 12.429 -4.486 14.294 1.00 0.00 O ATOM 247 OD2 ASP A 18 11.633 -6.488 13.730 1.00 0.00 O ATOM 0 H ASP A 18 13.756 -3.939 11.216 1.00 0.00 H new ATOM 0 HA ASP A 18 15.172 -4.378 13.774 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.687 -6.508 12.206 1.00 0.00 H new ATOM 0 HB3 ASP A 18 14.404 -6.657 13.798 1.00 0.00 H new ATOM 252 N GLU A 19 16.698 -6.192 12.461 1.00 0.00 N ATOM 253 CA GLU A 19 17.816 -6.744 11.714 1.00 0.00 C ATOM 254 C GLU A 19 17.433 -6.928 10.245 1.00 0.00 C ATOM 255 O GLU A 19 18.286 -6.849 9.362 1.00 0.00 O ATOM 256 CB GLU A 19 18.287 -8.064 12.328 1.00 0.00 C ATOM 257 CG GLU A 19 17.176 -9.115 12.287 1.00 0.00 C ATOM 258 CD GLU A 19 16.289 -9.025 13.530 1.00 0.00 C ATOM 259 OE1 GLU A 19 16.864 -9.042 14.640 1.00 0.00 O ATOM 260 OE2 GLU A 19 15.056 -8.942 13.343 1.00 0.00 O ATOM 0 H GLU A 19 16.579 -6.577 13.398 1.00 0.00 H new ATOM 0 HA GLU A 19 18.647 -6.040 11.767 1.00 0.00 H new ATOM 0 HB2 GLU A 19 19.159 -8.430 11.787 1.00 0.00 H new ATOM 0 HB3 GLU A 19 18.598 -7.899 13.359 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.570 -8.973 11.392 1.00 0.00 H new ATOM 0 HG3 GLU A 19 17.615 -10.111 12.220 1.00 0.00 H new ATOM 267 N ASP A 20 16.148 -7.172 10.027 1.00 0.00 N ATOM 268 CA ASP A 20 15.642 -7.368 8.679 1.00 0.00 C ATOM 269 C ASP A 20 14.570 -6.317 8.384 1.00 0.00 C ATOM 270 O ASP A 20 13.471 -6.653 7.945 1.00 0.00 O ATOM 271 CB ASP A 20 15.004 -8.750 8.526 1.00 0.00 C ATOM 272 CG ASP A 20 14.944 -9.280 7.092 1.00 0.00 C ATOM 273 OD1 ASP A 20 16.033 -9.537 6.536 1.00 0.00 O ATOM 274 OD2 ASP A 20 13.810 -9.415 6.585 1.00 0.00 O ATOM 0 H ASP A 20 15.443 -7.238 10.761 1.00 0.00 H new ATOM 0 HA ASP A 20 16.480 -7.279 7.988 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.561 -9.460 9.137 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.991 -8.712 8.926 1.00 0.00 H new ATOM 279 N GLY A 21 14.927 -5.066 8.636 1.00 0.00 N ATOM 280 CA GLY A 21 14.010 -3.964 8.403 1.00 0.00 C ATOM 281 C GLY A 21 12.685 -4.190 9.134 1.00 0.00 C ATOM 282 O GLY A 21 12.674 -4.597 10.295 1.00 0.00 O ATOM 0 H GLY A 21 15.840 -4.791 9.000 1.00 0.00 H new ATOM 0 HA2 GLY A 21 14.462 -3.032 8.742 1.00 0.00 H new ATOM 0 HA3 GLY A 21 13.826 -3.859 7.334 1.00 0.00 H new ATOM 286 N LEU A 22 11.600 -3.914 8.425 1.00 0.00 N ATOM 287 CA LEU A 22 10.273 -4.082 8.992 1.00 0.00 C ATOM 288 C LEU A 22 9.907 -5.568 8.994 1.00 0.00 C ATOM 289 O LEU A 22 9.543 -6.120 10.031 1.00 0.00 O ATOM 290 CB LEU A 22 9.261 -3.200 8.257 1.00 0.00 C ATOM 291 CG LEU A 22 9.752 -1.809 7.853 1.00 0.00 C ATOM 292 CD1 LEU A 22 9.224 -1.421 6.471 1.00 0.00 C ATOM 293 CD2 LEU A 22 9.392 -0.770 8.917 1.00 0.00 C ATOM 0 H LEU A 22 11.613 -3.575 7.463 1.00 0.00 H new ATOM 0 HA LEU A 22 10.257 -3.749 10.030 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.937 -3.725 7.358 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.382 -3.083 8.892 1.00 0.00 H new ATOM 0 HG LEU A 22 10.840 -1.837 7.786 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.588 -0.428 6.208 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.573 -2.143 5.732 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.134 -1.416 6.486 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.753 0.210 8.605 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.310 -0.736 9.041 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.857 -1.043 9.864 1.00 0.00 H new ATOM 305 N GLY A 23 10.017 -6.172 7.820 1.00 0.00 N ATOM 306 CA GLY A 23 9.703 -7.583 7.673 1.00 0.00 C ATOM 307 C GLY A 23 8.251 -7.778 7.231 1.00 0.00 C ATOM 308 O GLY A 23 7.524 -8.583 7.813 1.00 0.00 O ATOM 0 H GLY A 23 10.319 -5.710 6.962 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.373 -8.034 6.941 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.871 -8.097 8.619 1.00 0.00 H new ATOM 312 N ILE A 24 7.871 -7.029 6.207 1.00 0.00 N ATOM 313 CA ILE A 24 6.519 -7.109 5.681 1.00 0.00 C ATOM 314 C ILE A 24 6.570 -7.093 4.152 1.00 0.00 C ATOM 315 O ILE A 24 7.523 -6.584 3.564 1.00 0.00 O ATOM 316 CB ILE A 24 5.645 -6.005 6.279 1.00 0.00 C ATOM 317 CG1 ILE A 24 6.495 -4.814 6.725 1.00 0.00 C ATOM 318 CG2 ILE A 24 4.778 -6.548 7.417 1.00 0.00 C ATOM 319 CD1 ILE A 24 5.648 -3.544 6.831 1.00 0.00 C ATOM 0 H ILE A 24 8.476 -6.363 5.727 1.00 0.00 H new ATOM 0 HA ILE A 24 6.051 -8.048 5.975 1.00 0.00 H new ATOM 0 HB ILE A 24 4.970 -5.646 5.502 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.953 -5.031 7.690 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.307 -4.656 6.015 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.167 -5.743 7.825 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.131 -7.338 7.036 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.418 -6.950 8.202 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.277 -2.713 7.150 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.211 -3.316 5.859 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.852 -3.697 7.560 1.00 0.00 H new ATOM 331 N SER A 25 5.532 -7.656 3.551 1.00 0.00 N ATOM 332 CA SER A 25 5.446 -7.712 2.102 1.00 0.00 C ATOM 333 C SER A 25 4.321 -6.800 1.608 1.00 0.00 C ATOM 334 O SER A 25 3.324 -6.607 2.303 1.00 0.00 O ATOM 335 CB SER A 25 5.218 -9.146 1.619 1.00 0.00 C ATOM 336 OG SER A 25 5.821 -10.103 2.485 1.00 0.00 O ATOM 0 H SER A 25 4.743 -8.077 4.042 1.00 0.00 H new ATOM 0 HA SER A 25 6.393 -7.365 1.690 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.148 -9.340 1.553 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.625 -9.259 0.614 1.00 0.00 H new ATOM 0 HG SER A 25 5.936 -10.950 2.006 1.00 0.00 H new ATOM 342 N ILE A 26 4.518 -6.265 0.413 1.00 0.00 N ATOM 343 CA ILE A 26 3.532 -5.378 -0.182 1.00 0.00 C ATOM 344 C ILE A 26 3.134 -5.915 -1.558 1.00 0.00 C ATOM 345 O ILE A 26 3.848 -6.729 -2.141 1.00 0.00 O ATOM 346 CB ILE A 26 4.052 -3.940 -0.209 1.00 0.00 C ATOM 347 CG1 ILE A 26 5.395 -3.856 -0.939 1.00 0.00 C ATOM 348 CG2 ILE A 26 4.131 -3.358 1.203 1.00 0.00 C ATOM 349 CD1 ILE A 26 5.465 -2.605 -1.817 1.00 0.00 C ATOM 0 H ILE A 26 5.346 -6.428 -0.160 1.00 0.00 H new ATOM 0 HA ILE A 26 2.627 -5.353 0.424 1.00 0.00 H new ATOM 0 HB ILE A 26 3.342 -3.331 -0.769 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.207 -3.841 -0.212 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.535 -4.745 -1.554 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.504 -2.335 1.154 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.139 -3.362 1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.807 -3.962 1.808 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.429 -2.570 -2.324 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.666 -2.635 -2.558 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.350 -1.717 -1.195 1.00 0.00 H new ATOM 361 N ILE A 27 1.995 -5.437 -2.038 1.00 0.00 N ATOM 362 CA ILE A 27 1.493 -5.859 -3.334 1.00 0.00 C ATOM 363 C ILE A 27 0.993 -4.635 -4.105 1.00 0.00 C ATOM 364 O ILE A 27 0.392 -3.734 -3.524 1.00 0.00 O ATOM 365 CB ILE A 27 0.439 -6.955 -3.171 1.00 0.00 C ATOM 366 CG1 ILE A 27 -0.511 -6.986 -4.370 1.00 0.00 C ATOM 367 CG2 ILE A 27 -0.313 -6.799 -1.848 1.00 0.00 C ATOM 368 CD1 ILE A 27 -1.300 -8.297 -4.411 1.00 0.00 C ATOM 0 H ILE A 27 1.406 -4.761 -1.552 1.00 0.00 H new ATOM 0 HA ILE A 27 2.293 -6.305 -3.925 1.00 0.00 H new ATOM 0 HB ILE A 27 0.949 -7.918 -3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.201 -6.144 -4.314 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.058 -6.871 -5.292 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.057 -7.591 -1.757 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.392 -6.866 -1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.810 -5.829 -1.824 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.968 -8.293 -5.273 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.608 -9.136 -4.492 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.887 -8.397 -3.498 1.00 0.00 H new ATOM 380 N GLY A 28 1.261 -4.643 -5.403 1.00 0.00 N ATOM 381 CA GLY A 28 0.846 -3.546 -6.260 1.00 0.00 C ATOM 382 C GLY A 28 -0.518 -3.829 -6.892 1.00 0.00 C ATOM 383 O GLY A 28 -0.658 -4.762 -7.682 1.00 0.00 O ATOM 0 H GLY A 28 1.761 -5.392 -5.882 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.798 -2.625 -5.679 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.588 -3.391 -7.043 1.00 0.00 H new ATOM 387 N MET A 29 -1.489 -3.008 -6.521 1.00 0.00 N ATOM 388 CA MET A 29 -2.837 -3.158 -7.042 1.00 0.00 C ATOM 389 C MET A 29 -3.371 -1.827 -7.575 1.00 0.00 C ATOM 390 O MET A 29 -2.948 -0.762 -7.129 1.00 0.00 O ATOM 391 CB MET A 29 -3.759 -3.672 -5.934 1.00 0.00 C ATOM 392 CG MET A 29 -3.359 -5.083 -5.499 1.00 0.00 C ATOM 393 SD MET A 29 -4.443 -6.284 -6.253 1.00 0.00 S ATOM 394 CE MET A 29 -5.089 -7.080 -4.791 1.00 0.00 C ATOM 0 H MET A 29 -1.369 -2.236 -5.865 1.00 0.00 H new ATOM 0 HA MET A 29 -2.810 -3.872 -7.865 1.00 0.00 H new ATOM 0 HB2 MET A 29 -3.716 -2.998 -5.078 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.790 -3.675 -6.286 1.00 0.00 H new ATOM 0 HG2 MET A 29 -2.326 -5.282 -5.786 1.00 0.00 H new ATOM 0 HG3 MET A 29 -3.410 -5.166 -4.413 1.00 0.00 H new ATOM 0 HE1 MET A 29 -5.789 -7.863 -5.082 1.00 0.00 H new ATOM 0 HE2 MET A 29 -4.269 -7.519 -4.223 1.00 0.00 H new ATOM 0 HE3 MET A 29 -5.605 -6.344 -4.174 1.00 0.00 H new ATOM 404 N GLY A 30 -4.293 -1.932 -8.521 1.00 0.00 N ATOM 405 CA GLY A 30 -4.889 -0.749 -9.119 1.00 0.00 C ATOM 406 C GLY A 30 -6.271 -0.471 -8.523 1.00 0.00 C ATOM 407 O GLY A 30 -7.242 -1.148 -8.857 1.00 0.00 O ATOM 0 H GLY A 30 -4.642 -2.818 -8.888 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.239 0.111 -8.957 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.975 -0.886 -10.197 1.00 0.00 H new ATOM 411 N VAL A 31 -6.314 0.526 -7.652 1.00 0.00 N ATOM 412 CA VAL A 31 -7.561 0.902 -7.007 1.00 0.00 C ATOM 413 C VAL A 31 -8.315 1.890 -7.900 1.00 0.00 C ATOM 414 O VAL A 31 -7.709 2.773 -8.505 1.00 0.00 O ATOM 415 CB VAL A 31 -7.280 1.455 -5.608 1.00 0.00 C ATOM 416 CG1 VAL A 31 -8.474 1.227 -4.679 1.00 0.00 C ATOM 417 CG2 VAL A 31 -6.005 0.845 -5.023 1.00 0.00 C ATOM 0 H VAL A 31 -5.506 1.085 -7.378 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.201 0.030 -6.875 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.126 2.530 -5.697 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.248 1.629 -3.691 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.352 1.731 -5.084 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.674 0.158 -4.599 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.829 1.255 -4.029 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.118 -0.237 -4.955 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.159 1.082 -5.668 1.00 0.00 H new ATOM 492 N GLU A 38 -6.472 5.780 -12.720 1.00 0.00 N ATOM 493 CA GLU A 38 -6.374 4.733 -11.717 1.00 0.00 C ATOM 494 C GLU A 38 -5.436 5.166 -10.588 1.00 0.00 C ATOM 495 O GLU A 38 -4.502 5.935 -10.813 1.00 0.00 O ATOM 496 CB GLU A 38 -5.909 3.416 -12.342 1.00 0.00 C ATOM 497 CG GLU A 38 -4.485 3.541 -12.887 1.00 0.00 C ATOM 498 CD GLU A 38 -4.059 2.259 -13.606 1.00 0.00 C ATOM 499 OE1 GLU A 38 -4.900 1.726 -14.362 1.00 0.00 O ATOM 500 OE2 GLU A 38 -2.902 1.842 -13.383 1.00 0.00 O ATOM 0 HA GLU A 38 -7.365 4.566 -11.296 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.949 2.622 -11.597 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.587 3.132 -13.147 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.428 4.384 -13.575 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.796 3.750 -12.069 1.00 0.00 H new ATOM 507 N LYS A 39 -5.716 4.653 -9.399 1.00 0.00 N ATOM 508 CA LYS A 39 -4.909 4.977 -8.235 1.00 0.00 C ATOM 509 C LYS A 39 -4.342 3.688 -7.638 1.00 0.00 C ATOM 510 O LYS A 39 -5.020 3.003 -6.874 1.00 0.00 O ATOM 511 CB LYS A 39 -5.715 5.813 -7.240 1.00 0.00 C ATOM 512 CG LYS A 39 -5.634 7.302 -7.582 1.00 0.00 C ATOM 513 CD LYS A 39 -5.040 8.101 -6.420 1.00 0.00 C ATOM 514 CE LYS A 39 -5.671 9.492 -6.331 1.00 0.00 C ATOM 515 NZ LYS A 39 -4.775 10.507 -6.929 1.00 0.00 N ATOM 0 H LYS A 39 -6.491 4.015 -9.217 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.059 5.597 -8.521 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.756 5.491 -7.248 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.338 5.647 -6.231 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.023 7.441 -8.474 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.629 7.680 -7.816 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.201 7.564 -5.485 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.962 8.195 -6.552 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.631 9.496 -6.848 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.869 9.742 -5.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.218 11.445 -6.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.869 10.514 -6.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.607 10.276 -7.929 1.00 0.00 H new ATOM 529 N LEU A 40 -3.104 3.395 -8.010 1.00 0.00 N ATOM 530 CA LEU A 40 -2.439 2.200 -7.520 1.00 0.00 C ATOM 531 C LEU A 40 -2.482 2.187 -5.991 1.00 0.00 C ATOM 532 O LEU A 40 -2.142 3.179 -5.348 1.00 0.00 O ATOM 533 CB LEU A 40 -1.025 2.100 -8.096 1.00 0.00 C ATOM 534 CG LEU A 40 -0.570 0.701 -8.518 1.00 0.00 C ATOM 535 CD1 LEU A 40 -0.372 -0.202 -7.299 1.00 0.00 C ATOM 536 CD2 LEU A 40 -1.540 0.092 -9.532 1.00 0.00 C ATOM 0 H LEU A 40 -2.545 3.965 -8.645 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.962 1.307 -7.861 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.959 2.758 -8.962 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.324 2.480 -7.353 1.00 0.00 H new ATOM 0 HG LEU A 40 0.397 0.791 -9.012 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.049 -1.190 -7.627 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.386 0.230 -6.646 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.312 -0.290 -6.755 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.194 -0.902 -9.815 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.532 0.017 -9.087 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.586 0.726 -10.417 1.00 0.00 H new ATOM 548 N GLY A 41 -2.905 1.053 -5.452 1.00 0.00 N ATOM 549 CA GLY A 41 -2.997 0.898 -4.010 1.00 0.00 C ATOM 550 C GLY A 41 -1.977 -0.123 -3.502 1.00 0.00 C ATOM 551 O GLY A 41 -2.013 -1.289 -3.892 1.00 0.00 O ATOM 0 H GLY A 41 -3.188 0.233 -5.988 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.827 1.860 -3.526 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.003 0.578 -3.738 1.00 0.00 H new ATOM 555 N ILE A 42 -1.091 0.353 -2.639 1.00 0.00 N ATOM 556 CA ILE A 42 -0.063 -0.504 -2.073 1.00 0.00 C ATOM 557 C ILE A 42 -0.632 -1.244 -0.861 1.00 0.00 C ATOM 558 O ILE A 42 -0.837 -0.648 0.195 1.00 0.00 O ATOM 559 CB ILE A 42 1.198 0.305 -1.764 1.00 0.00 C ATOM 560 CG1 ILE A 42 1.595 1.180 -2.955 1.00 0.00 C ATOM 561 CG2 ILE A 42 2.341 -0.609 -1.318 1.00 0.00 C ATOM 562 CD1 ILE A 42 1.869 0.327 -4.194 1.00 0.00 C ATOM 0 H ILE A 42 -1.064 1.321 -2.318 1.00 0.00 H new ATOM 0 HA ILE A 42 0.241 -1.262 -2.795 1.00 0.00 H new ATOM 0 HB ILE A 42 0.978 0.974 -0.932 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.799 1.893 -3.169 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.483 1.760 -2.705 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.225 -0.008 -1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.045 -1.150 -0.419 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.569 -1.321 -2.112 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.149 0.973 -5.026 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.682 -0.368 -3.985 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.971 -0.233 -4.456 1.00 0.00 H new ATOM 574 N PHE A 43 -0.871 -2.533 -1.054 1.00 0.00 N ATOM 575 CA PHE A 43 -1.412 -3.361 0.010 1.00 0.00 C ATOM 576 C PHE A 43 -0.348 -4.314 0.559 1.00 0.00 C ATOM 577 O PHE A 43 0.678 -4.539 -0.081 1.00 0.00 O ATOM 578 CB PHE A 43 -2.551 -4.182 -0.597 1.00 0.00 C ATOM 579 CG PHE A 43 -3.710 -3.339 -1.131 1.00 0.00 C ATOM 580 CD1 PHE A 43 -3.693 -2.897 -2.418 1.00 0.00 C ATOM 581 CD2 PHE A 43 -4.757 -3.030 -0.320 1.00 0.00 C ATOM 582 CE1 PHE A 43 -4.769 -2.114 -2.914 1.00 0.00 C ATOM 583 CE2 PHE A 43 -5.833 -2.247 -0.816 1.00 0.00 C ATOM 584 CZ PHE A 43 -5.816 -1.806 -2.103 1.00 0.00 C ATOM 0 H PHE A 43 -0.700 -3.024 -1.931 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.756 -2.733 0.831 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.154 -4.791 -1.409 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.933 -4.869 0.158 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.861 -3.142 -3.062 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.770 -3.380 0.702 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.756 -1.763 -3.935 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.664 -2.002 -0.172 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.634 -1.211 -2.481 1.00 0.00 H new ATOM 594 N VAL A 44 -0.629 -4.849 1.738 1.00 0.00 N ATOM 595 CA VAL A 44 0.291 -5.773 2.379 1.00 0.00 C ATOM 596 C VAL A 44 -0.010 -7.196 1.906 1.00 0.00 C ATOM 597 O VAL A 44 -1.030 -7.775 2.275 1.00 0.00 O ATOM 598 CB VAL A 44 0.211 -5.619 3.900 1.00 0.00 C ATOM 599 CG1 VAL A 44 0.821 -6.832 4.606 1.00 0.00 C ATOM 600 CG2 VAL A 44 0.884 -4.323 4.356 1.00 0.00 C ATOM 0 H VAL A 44 -1.481 -4.660 2.266 1.00 0.00 H new ATOM 0 HA VAL A 44 1.319 -5.547 2.096 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.842 -5.565 4.177 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.752 -6.698 5.685 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.279 -7.732 4.317 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.868 -6.931 4.319 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.813 -4.238 5.440 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.933 -4.334 4.061 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.386 -3.472 3.892 1.00 0.00 H new ATOM 610 N LYS A 45 0.898 -7.720 1.095 1.00 0.00 N ATOM 611 CA LYS A 45 0.743 -9.065 0.567 1.00 0.00 C ATOM 612 C LYS A 45 0.715 -10.063 1.726 1.00 0.00 C ATOM 613 O LYS A 45 -0.120 -10.966 1.752 1.00 0.00 O ATOM 614 CB LYS A 45 1.826 -9.360 -0.473 1.00 0.00 C ATOM 615 CG LYS A 45 1.782 -10.826 -0.910 1.00 0.00 C ATOM 616 CD LYS A 45 0.486 -11.134 -1.663 1.00 0.00 C ATOM 617 CE LYS A 45 0.616 -12.426 -2.472 1.00 0.00 C ATOM 618 NZ LYS A 45 0.900 -12.121 -3.893 1.00 0.00 N ATOM 0 H LYS A 45 1.743 -7.237 0.791 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.207 -9.161 0.041 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.688 -8.714 -1.340 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.807 -9.130 -0.057 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.638 -11.045 -1.548 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.862 -11.472 -0.036 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.337 -11.226 -0.955 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.243 -10.306 -2.329 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.415 -13.042 -2.059 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.305 -13.005 -2.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.985 -13.009 -4.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.124 -11.552 -4.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.790 -11.588 -3.962 1.00 0.00 H new ATOM 632 N THR A 46 1.637 -9.866 2.657 1.00 0.00 N ATOM 633 CA THR A 46 1.728 -10.738 3.816 1.00 0.00 C ATOM 634 C THR A 46 2.679 -10.144 4.856 1.00 0.00 C ATOM 635 O THR A 46 3.277 -9.093 4.629 1.00 0.00 O ATOM 636 CB THR A 46 2.149 -12.127 3.331 1.00 0.00 C ATOM 637 OG1 THR A 46 2.302 -12.882 4.530 1.00 0.00 O ATOM 638 CG2 THR A 46 3.547 -12.131 2.707 1.00 0.00 C ATOM 0 H THR A 46 2.327 -9.116 2.632 1.00 0.00 H new ATOM 0 HA THR A 46 0.765 -10.831 4.318 1.00 0.00 H new ATOM 0 HB THR A 46 1.425 -12.491 2.602 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.573 -13.797 4.308 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.796 -13.140 2.380 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.565 -11.457 1.851 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.276 -11.799 3.446 1.00 0.00 H new ATOM 646 N VAL A 47 2.790 -10.842 5.977 1.00 0.00 N ATOM 647 CA VAL A 47 3.658 -10.397 7.053 1.00 0.00 C ATOM 648 C VAL A 47 4.552 -11.558 7.496 1.00 0.00 C ATOM 649 O VAL A 47 4.061 -12.649 7.782 1.00 0.00 O ATOM 650 CB VAL A 47 2.821 -9.818 8.196 1.00 0.00 C ATOM 651 CG1 VAL A 47 3.706 -9.424 9.380 1.00 0.00 C ATOM 652 CG2 VAL A 47 1.987 -8.629 7.715 1.00 0.00 C ATOM 0 H VAL A 47 2.293 -11.713 6.163 1.00 0.00 H new ATOM 0 HA VAL A 47 4.312 -9.596 6.708 1.00 0.00 H new ATOM 0 HB VAL A 47 2.135 -10.594 8.536 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.086 -9.016 10.178 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.236 -10.303 9.746 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.428 -8.672 9.061 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.401 -8.236 8.546 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.649 -7.850 7.336 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.316 -8.953 6.920 1.00 0.00 H new ATOM 662 N THR A 48 5.847 -11.283 7.539 1.00 0.00 N ATOM 663 CA THR A 48 6.813 -12.291 7.942 1.00 0.00 C ATOM 664 C THR A 48 6.475 -12.826 9.335 1.00 0.00 C ATOM 665 O THR A 48 6.220 -12.053 10.256 1.00 0.00 O ATOM 666 CB THR A 48 8.209 -11.671 7.851 1.00 0.00 C ATOM 667 OG1 THR A 48 8.555 -11.796 6.474 1.00 0.00 O ATOM 668 CG2 THR A 48 9.267 -12.503 8.578 1.00 0.00 C ATOM 0 H THR A 48 6.250 -10.377 7.301 1.00 0.00 H new ATOM 0 HA THR A 48 6.782 -13.156 7.280 1.00 0.00 H new ATOM 0 HB THR A 48 8.188 -10.665 8.270 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.446 -11.417 6.325 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.239 -12.019 8.483 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.004 -12.585 9.633 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.313 -13.499 8.137 1.00 0.00 H new ATOM 676 N GLU A 49 6.485 -14.147 9.444 1.00 0.00 N ATOM 677 CA GLU A 49 6.184 -14.795 10.709 1.00 0.00 C ATOM 678 C GLU A 49 7.275 -14.488 11.737 1.00 0.00 C ATOM 679 O GLU A 49 8.303 -15.163 11.776 1.00 0.00 O ATOM 680 CB GLU A 49 6.013 -16.304 10.525 1.00 0.00 C ATOM 681 CG GLU A 49 4.686 -16.782 11.119 1.00 0.00 C ATOM 682 CD GLU A 49 4.263 -18.120 10.510 1.00 0.00 C ATOM 683 OE1 GLU A 49 5.053 -19.079 10.644 1.00 0.00 O ATOM 684 OE2 GLU A 49 3.159 -18.154 9.924 1.00 0.00 O ATOM 0 H GLU A 49 6.697 -14.785 8.677 1.00 0.00 H new ATOM 0 HA GLU A 49 5.240 -14.398 11.082 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.051 -16.551 9.464 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.840 -16.828 11.004 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.783 -16.885 12.200 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.913 -16.035 10.938 1.00 0.00 H new ATOM 691 N GLY A 50 7.015 -13.469 12.543 1.00 0.00 N ATOM 692 CA GLY A 50 7.963 -13.065 13.567 1.00 0.00 C ATOM 693 C GLY A 50 8.729 -11.810 13.141 1.00 0.00 C ATOM 694 O GLY A 50 9.875 -11.613 13.541 1.00 0.00 O ATOM 0 H GLY A 50 6.162 -12.911 12.508 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.435 -12.874 14.501 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.665 -13.877 13.758 1.00 0.00 H new ATOM 698 N GLY A 51 8.065 -10.995 12.335 1.00 0.00 N ATOM 699 CA GLY A 51 8.668 -9.766 11.851 1.00 0.00 C ATOM 700 C GLY A 51 8.334 -8.591 12.772 1.00 0.00 C ATOM 701 O GLY A 51 7.650 -8.763 13.780 1.00 0.00 O ATOM 0 H GLY A 51 7.114 -11.162 12.005 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.749 -9.888 11.788 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.312 -9.555 10.843 1.00 0.00 H new ATOM 705 N ALA A 52 8.832 -7.423 12.394 1.00 0.00 N ATOM 706 CA ALA A 52 8.595 -6.220 13.173 1.00 0.00 C ATOM 707 C ALA A 52 7.111 -5.855 13.101 1.00 0.00 C ATOM 708 O ALA A 52 6.507 -5.494 14.110 1.00 0.00 O ATOM 709 CB ALA A 52 9.498 -5.095 12.664 1.00 0.00 C ATOM 0 H ALA A 52 9.399 -7.284 11.558 1.00 0.00 H new ATOM 0 HA ALA A 52 8.843 -6.387 14.221 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.320 -4.193 13.249 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.542 -5.392 12.765 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.277 -4.897 11.615 1.00 0.00 H new ATOM 715 N ALA A 53 6.566 -5.961 11.898 1.00 0.00 N ATOM 716 CA ALA A 53 5.165 -5.646 11.680 1.00 0.00 C ATOM 717 C ALA A 53 4.298 -6.748 12.294 1.00 0.00 C ATOM 718 O ALA A 53 3.203 -6.480 12.785 1.00 0.00 O ATOM 719 CB ALA A 53 4.907 -5.468 10.183 1.00 0.00 C ATOM 0 H ALA A 53 7.070 -6.261 11.064 1.00 0.00 H new ATOM 0 HA ALA A 53 4.903 -4.708 12.169 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.855 -5.232 10.021 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.525 -4.655 9.801 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.157 -6.390 9.659 1.00 0.00 H new ATOM 725 N GLN A 54 4.822 -7.964 12.245 1.00 0.00 N ATOM 726 CA GLN A 54 4.109 -9.108 12.790 1.00 0.00 C ATOM 727 C GLN A 54 4.017 -8.999 14.313 1.00 0.00 C ATOM 728 O GLN A 54 2.924 -8.879 14.865 1.00 0.00 O ATOM 729 CB GLN A 54 4.778 -10.419 12.373 1.00 0.00 C ATOM 730 CG GLN A 54 3.749 -11.544 12.248 1.00 0.00 C ATOM 731 CD GLN A 54 3.530 -12.240 13.593 1.00 0.00 C ATOM 732 OE1 GLN A 54 3.155 -11.632 14.582 1.00 0.00 O ATOM 733 NE2 GLN A 54 3.786 -13.545 13.575 1.00 0.00 N ATOM 0 H GLN A 54 5.731 -8.182 11.837 1.00 0.00 H new ATOM 0 HA GLN A 54 3.097 -9.109 12.384 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.291 -10.283 11.421 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.536 -10.694 13.107 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.804 -11.139 11.886 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.088 -12.271 11.509 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.097 -13.992 12.712 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.671 -14.099 14.424 1.00 0.00 H new ATOM 742 N ARG A 55 5.178 -9.045 14.949 1.00 0.00 N ATOM 743 CA ARG A 55 5.242 -8.953 16.398 1.00 0.00 C ATOM 744 C ARG A 55 4.281 -7.876 16.904 1.00 0.00 C ATOM 745 O ARG A 55 3.541 -8.099 17.861 1.00 0.00 O ATOM 746 CB ARG A 55 6.660 -8.623 16.867 1.00 0.00 C ATOM 747 CG ARG A 55 7.505 -9.892 16.995 1.00 0.00 C ATOM 748 CD ARG A 55 8.869 -9.583 17.615 1.00 0.00 C ATOM 749 NE ARG A 55 9.669 -8.751 16.688 1.00 0.00 N ATOM 750 CZ ARG A 55 10.739 -8.033 17.056 1.00 0.00 C ATOM 751 NH1 ARG A 55 11.144 -8.040 18.333 1.00 0.00 N ATOM 752 NH2 ARG A 55 11.404 -7.308 16.146 1.00 0.00 N ATOM 0 H ARG A 55 6.082 -9.145 14.488 1.00 0.00 H new ATOM 0 HA ARG A 55 4.954 -9.922 16.805 1.00 0.00 H new ATOM 0 HB2 ARG A 55 7.130 -7.939 16.161 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.619 -8.111 17.828 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.979 -10.623 17.610 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.642 -10.342 16.012 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.737 -9.062 18.563 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.398 -10.511 17.832 1.00 0.00 H new ATOM 0 HE ARG A 55 9.388 -8.722 15.708 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.638 -8.592 19.026 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.958 -7.493 18.613 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.096 -7.303 15.174 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.218 -6.761 16.426 1.00 0.00 H new ATOM 766 N ASP A 56 4.323 -6.731 16.239 1.00 0.00 N ATOM 767 CA ASP A 56 3.465 -5.618 16.610 1.00 0.00 C ATOM 768 C ASP A 56 2.013 -6.097 16.668 1.00 0.00 C ATOM 769 O ASP A 56 1.351 -5.961 17.696 1.00 0.00 O ATOM 770 CB ASP A 56 3.550 -4.490 15.580 1.00 0.00 C ATOM 771 CG ASP A 56 2.989 -3.145 16.047 1.00 0.00 C ATOM 772 OD1 ASP A 56 2.199 -3.164 17.015 1.00 0.00 O ATOM 773 OD2 ASP A 56 3.363 -2.127 15.424 1.00 0.00 O ATOM 0 H ASP A 56 4.938 -6.550 15.445 1.00 0.00 H new ATOM 0 HA ASP A 56 3.795 -5.246 17.580 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.594 -4.353 15.298 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.015 -4.798 14.681 1.00 0.00 H new ATOM 778 N GLY A 57 1.559 -6.646 15.550 1.00 0.00 N ATOM 779 CA GLY A 57 0.198 -7.146 15.461 1.00 0.00 C ATOM 780 C GLY A 57 -0.720 -6.119 14.793 1.00 0.00 C ATOM 781 O GLY A 57 -1.683 -6.486 14.123 1.00 0.00 O ATOM 0 H GLY A 57 2.110 -6.755 14.699 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.185 -8.076 14.892 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.174 -7.378 16.459 1.00 0.00 H new ATOM 785 N ARG A 58 -0.388 -4.853 15.001 1.00 0.00 N ATOM 786 CA ARG A 58 -1.170 -3.771 14.428 1.00 0.00 C ATOM 787 C ARG A 58 -1.360 -3.991 12.925 1.00 0.00 C ATOM 788 O ARG A 58 -2.469 -4.266 12.470 1.00 0.00 O ATOM 789 CB ARG A 58 -0.491 -2.419 14.656 1.00 0.00 C ATOM 790 CG ARG A 58 -1.420 -1.459 15.403 1.00 0.00 C ATOM 791 CD ARG A 58 -2.847 -1.543 14.859 1.00 0.00 C ATOM 792 NE ARG A 58 -2.820 -1.783 13.399 1.00 0.00 N ATOM 793 CZ ARG A 58 -3.894 -2.124 12.673 1.00 0.00 C ATOM 794 NH1 ARG A 58 -5.086 -2.267 13.268 1.00 0.00 N ATOM 795 NH2 ARG A 58 -3.775 -2.321 11.353 1.00 0.00 N ATOM 0 H ARG A 58 0.412 -4.553 15.558 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.141 -3.766 14.924 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.427 -2.560 15.227 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.207 -1.984 13.698 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.418 -1.699 16.466 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.049 -0.439 15.305 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.388 -2.347 15.358 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.382 -0.618 15.074 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.928 -1.683 12.915 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.176 -2.116 14.273 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.904 -2.526 12.716 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.867 -2.212 10.901 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.592 -2.581 10.800 1.00 0.00 H new ATOM 809 N ILE A 59 -0.260 -3.862 12.197 1.00 0.00 N ATOM 810 CA ILE A 59 -0.291 -4.043 10.756 1.00 0.00 C ATOM 811 C ILE A 59 -0.615 -5.504 10.437 1.00 0.00 C ATOM 812 O ILE A 59 0.040 -6.414 10.943 1.00 0.00 O ATOM 813 CB ILE A 59 1.013 -3.551 10.126 1.00 0.00 C ATOM 814 CG1 ILE A 59 1.207 -2.052 10.367 1.00 0.00 C ATOM 815 CG2 ILE A 59 1.071 -3.904 8.639 1.00 0.00 C ATOM 816 CD1 ILE A 59 2.637 -1.624 10.032 1.00 0.00 C ATOM 0 H ILE A 59 0.658 -3.634 12.579 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.081 -3.436 10.313 1.00 0.00 H new ATOM 0 HB ILE A 59 1.842 -4.066 10.612 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.502 -1.488 9.757 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.987 -1.816 11.408 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.008 -3.543 8.216 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.012 -4.986 8.519 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.234 -3.435 8.121 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.748 -0.555 10.212 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.338 -2.173 10.661 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.845 -1.839 8.984 1.00 0.00 H new ATOM 828 N GLN A 60 -1.627 -5.683 9.600 1.00 0.00 N ATOM 829 CA GLN A 60 -2.046 -7.018 9.207 1.00 0.00 C ATOM 830 C GLN A 60 -1.887 -7.201 7.697 1.00 0.00 C ATOM 831 O GLN A 60 -1.554 -6.255 6.985 1.00 0.00 O ATOM 832 CB GLN A 60 -3.486 -7.291 9.645 1.00 0.00 C ATOM 833 CG GLN A 60 -3.826 -6.522 10.923 1.00 0.00 C ATOM 834 CD GLN A 60 -4.579 -7.411 11.914 1.00 0.00 C ATOM 835 OE1 GLN A 60 -4.985 -8.520 11.609 1.00 0.00 O ATOM 836 NE2 GLN A 60 -4.743 -6.863 13.115 1.00 0.00 N ATOM 0 H GLN A 60 -2.169 -4.926 9.183 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.405 -7.742 9.710 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.173 -7.002 8.849 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.623 -8.359 9.812 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.910 -6.152 11.384 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.433 -5.651 10.677 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.378 -5.930 13.304 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.234 -7.376 13.847 1.00 0.00 H new ATOM 845 N VAL A 61 -2.134 -8.425 7.252 1.00 0.00 N ATOM 846 CA VAL A 61 -2.023 -8.744 5.839 1.00 0.00 C ATOM 847 C VAL A 61 -3.221 -8.153 5.091 1.00 0.00 C ATOM 848 O VAL A 61 -4.304 -8.017 5.657 1.00 0.00 O ATOM 849 CB VAL A 61 -1.891 -10.257 5.653 1.00 0.00 C ATOM 850 CG1 VAL A 61 -2.004 -10.640 4.176 1.00 0.00 C ATOM 851 CG2 VAL A 61 -0.580 -10.770 6.254 1.00 0.00 C ATOM 0 H VAL A 61 -2.411 -9.207 7.845 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.123 -8.297 5.417 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.714 -10.734 6.186 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.907 -11.721 4.072 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.974 -10.324 3.791 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.212 -10.148 3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.510 -11.848 6.109 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.261 -10.282 5.762 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.556 -10.545 7.320 1.00 0.00 H new ATOM 861 N ASN A 62 -2.984 -7.817 3.832 1.00 0.00 N ATOM 862 CA ASN A 62 -4.029 -7.244 3.001 1.00 0.00 C ATOM 863 C ASN A 62 -4.229 -5.776 3.382 1.00 0.00 C ATOM 864 O ASN A 62 -5.081 -5.094 2.814 1.00 0.00 O ATOM 865 CB ASN A 62 -5.359 -7.971 3.209 1.00 0.00 C ATOM 866 CG ASN A 62 -5.152 -9.487 3.263 1.00 0.00 C ATOM 867 OD1 ASN A 62 -4.923 -10.144 2.261 1.00 0.00 O ATOM 868 ND2 ASN A 62 -5.246 -10.002 4.486 1.00 0.00 N ATOM 0 H ASN A 62 -2.083 -7.931 3.367 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.723 -7.342 1.959 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.823 -7.630 4.135 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.044 -7.722 2.399 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.124 -11.005 4.628 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.440 -9.394 5.282 1.00 0.00 H new ATOM 875 N ASP A 63 -3.429 -5.332 4.340 1.00 0.00 N ATOM 876 CA ASP A 63 -3.508 -3.957 4.803 1.00 0.00 C ATOM 877 C ASP A 63 -3.157 -3.014 3.650 1.00 0.00 C ATOM 878 O ASP A 63 -2.596 -3.442 2.643 1.00 0.00 O ATOM 879 CB ASP A 63 -2.517 -3.701 5.941 1.00 0.00 C ATOM 880 CG ASP A 63 -3.096 -3.852 7.349 1.00 0.00 C ATOM 881 OD1 ASP A 63 -4.267 -4.279 7.438 1.00 0.00 O ATOM 882 OD2 ASP A 63 -2.355 -3.536 8.304 1.00 0.00 O ATOM 0 H ASP A 63 -2.723 -5.900 4.808 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.522 -3.780 5.161 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.678 -4.389 5.834 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.118 -2.692 5.835 1.00 0.00 H new ATOM 887 N GLN A 64 -3.503 -1.749 3.837 1.00 0.00 N ATOM 888 CA GLN A 64 -3.232 -0.742 2.825 1.00 0.00 C ATOM 889 C GLN A 64 -2.425 0.411 3.426 1.00 0.00 C ATOM 890 O GLN A 64 -2.939 1.174 4.242 1.00 0.00 O ATOM 891 CB GLN A 64 -4.530 -0.233 2.196 1.00 0.00 C ATOM 892 CG GLN A 64 -4.243 0.623 0.961 1.00 0.00 C ATOM 893 CD GLN A 64 -5.429 1.534 0.637 1.00 0.00 C ATOM 894 OE1 GLN A 64 -6.538 1.343 1.108 1.00 0.00 O ATOM 895 NE2 GLN A 64 -5.134 2.531 -0.192 1.00 0.00 N ATOM 0 H GLN A 64 -3.969 -1.398 4.674 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.639 -1.201 2.034 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.159 -1.078 1.918 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.087 0.353 2.927 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.352 1.227 1.132 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.032 -0.022 0.108 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.184 2.633 -0.549 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.858 3.194 -0.470 1.00 0.00 H new ATOM 904 N ILE A 65 -1.174 0.502 2.998 1.00 0.00 N ATOM 905 CA ILE A 65 -0.291 1.548 3.484 1.00 0.00 C ATOM 906 C ILE A 65 -0.556 2.837 2.702 1.00 0.00 C ATOM 907 O ILE A 65 0.103 3.105 1.699 1.00 0.00 O ATOM 908 CB ILE A 65 1.167 1.087 3.432 1.00 0.00 C ATOM 909 CG1 ILE A 65 1.361 -0.207 4.226 1.00 0.00 C ATOM 910 CG2 ILE A 65 2.110 2.195 3.903 1.00 0.00 C ATOM 911 CD1 ILE A 65 2.379 -1.122 3.543 1.00 0.00 C ATOM 0 H ILE A 65 -0.751 -0.132 2.320 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.496 1.762 4.533 1.00 0.00 H new ATOM 0 HB ILE A 65 1.420 0.870 2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.698 0.029 5.235 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.407 -0.726 4.322 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.140 1.841 3.856 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.997 3.067 3.259 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.867 2.468 4.930 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.498 -2.034 4.128 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.027 -1.375 2.543 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.338 -0.609 3.471 1.00 0.00 H new ATOM 923 N VAL A 66 -1.523 3.599 3.191 1.00 0.00 N ATOM 924 CA VAL A 66 -1.883 4.853 2.551 1.00 0.00 C ATOM 925 C VAL A 66 -0.696 5.816 2.620 1.00 0.00 C ATOM 926 O VAL A 66 -0.419 6.536 1.662 1.00 0.00 O ATOM 927 CB VAL A 66 -3.152 5.421 3.189 1.00 0.00 C ATOM 928 CG1 VAL A 66 -3.585 6.713 2.494 1.00 0.00 C ATOM 929 CG2 VAL A 66 -4.281 4.388 3.179 1.00 0.00 C ATOM 0 H VAL A 66 -2.068 3.372 4.023 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.109 4.692 1.497 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.926 5.660 4.228 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.489 7.095 2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.791 7.455 2.577 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.784 6.511 1.442 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.171 4.818 3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.505 4.103 2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.972 3.506 3.741 1.00 0.00 H new ATOM 939 N GLU A 67 -0.027 5.798 3.763 1.00 0.00 N ATOM 940 CA GLU A 67 1.124 6.660 3.970 1.00 0.00 C ATOM 941 C GLU A 67 2.193 5.932 4.789 1.00 0.00 C ATOM 942 O GLU A 67 1.892 4.969 5.492 1.00 0.00 O ATOM 943 CB GLU A 67 0.713 7.970 4.646 1.00 0.00 C ATOM 944 CG GLU A 67 1.906 8.622 5.348 1.00 0.00 C ATOM 945 CD GLU A 67 1.475 9.880 6.106 1.00 0.00 C ATOM 946 OE1 GLU A 67 1.357 10.931 5.440 1.00 0.00 O ATOM 947 OE2 GLU A 67 1.275 9.762 7.334 1.00 0.00 O ATOM 0 H GLU A 67 -0.260 5.200 4.556 1.00 0.00 H new ATOM 0 HA GLU A 67 1.547 6.908 2.997 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.305 8.655 3.902 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.079 7.777 5.370 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.357 7.912 6.041 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.669 8.879 4.613 1.00 0.00 H new ATOM 954 N VAL A 68 3.419 6.421 4.669 1.00 0.00 N ATOM 955 CA VAL A 68 4.533 5.829 5.389 1.00 0.00 C ATOM 956 C VAL A 68 5.501 6.933 5.819 1.00 0.00 C ATOM 957 O VAL A 68 6.064 7.632 4.978 1.00 0.00 O ATOM 958 CB VAL A 68 5.198 4.752 4.530 1.00 0.00 C ATOM 959 CG1 VAL A 68 6.710 4.974 4.445 1.00 0.00 C ATOM 960 CG2 VAL A 68 4.879 3.352 5.060 1.00 0.00 C ATOM 0 H VAL A 68 3.665 7.220 4.084 1.00 0.00 H new ATOM 0 HA VAL A 68 4.183 5.333 6.294 1.00 0.00 H new ATOM 0 HB VAL A 68 4.790 4.830 3.522 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.158 4.195 3.829 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.910 5.949 4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.140 4.937 5.446 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.364 2.606 4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.245 3.258 6.082 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.801 3.194 5.044 1.00 0.00 H new ATOM 970 N ASP A 69 5.665 7.056 7.128 1.00 0.00 N ATOM 971 CA ASP A 69 6.555 8.063 7.679 1.00 0.00 C ATOM 972 C ASP A 69 6.194 9.431 7.096 1.00 0.00 C ATOM 973 O ASP A 69 7.014 10.348 7.101 1.00 0.00 O ATOM 974 CB ASP A 69 8.013 7.766 7.321 1.00 0.00 C ATOM 975 CG ASP A 69 8.803 7.019 8.397 1.00 0.00 C ATOM 976 OD1 ASP A 69 8.528 7.279 9.588 1.00 0.00 O ATOM 977 OD2 ASP A 69 9.666 6.204 8.004 1.00 0.00 O ATOM 0 H ASP A 69 5.196 6.475 7.823 1.00 0.00 H new ATOM 0 HA ASP A 69 6.442 8.056 8.763 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.034 7.179 6.403 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.518 8.708 7.108 1.00 0.00 H new ATOM 982 N GLY A 70 4.967 9.525 6.607 1.00 0.00 N ATOM 983 CA GLY A 70 4.487 10.765 6.021 1.00 0.00 C ATOM 984 C GLY A 70 4.382 10.648 4.499 1.00 0.00 C ATOM 985 O GLY A 70 3.581 11.341 3.874 1.00 0.00 O ATOM 0 H GLY A 70 4.290 8.762 6.604 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.511 11.015 6.438 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.163 11.580 6.281 1.00 0.00 H new ATOM 989 N ILE A 71 5.202 9.766 3.948 1.00 0.00 N ATOM 990 CA ILE A 71 5.211 9.549 2.511 1.00 0.00 C ATOM 991 C ILE A 71 3.886 8.912 2.087 1.00 0.00 C ATOM 992 O ILE A 71 3.397 7.994 2.743 1.00 0.00 O ATOM 993 CB ILE A 71 6.442 8.739 2.099 1.00 0.00 C ATOM 994 CG1 ILE A 71 7.717 9.576 2.224 1.00 0.00 C ATOM 995 CG2 ILE A 71 6.272 8.160 0.693 1.00 0.00 C ATOM 996 CD1 ILE A 71 8.944 8.775 1.786 1.00 0.00 C ATOM 0 H ILE A 71 5.865 9.193 4.470 1.00 0.00 H new ATOM 0 HA ILE A 71 5.292 10.499 1.983 1.00 0.00 H new ATOM 0 HB ILE A 71 6.541 7.897 2.784 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.628 10.474 1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.842 9.903 3.256 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.161 7.589 0.425 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.400 7.506 0.672 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.133 8.972 -0.021 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.836 9.393 1.885 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.044 7.890 2.415 1.00 0.00 H new ATOM 0 HD13 ILE A 71 8.827 8.470 0.746 1.00 0.00 H new ATOM 1008 N SER A 72 3.343 9.425 0.993 1.00 0.00 N ATOM 1009 CA SER A 72 2.084 8.919 0.474 1.00 0.00 C ATOM 1010 C SER A 72 2.346 7.794 -0.529 1.00 0.00 C ATOM 1011 O SER A 72 3.135 7.957 -1.458 1.00 0.00 O ATOM 1012 CB SER A 72 1.269 10.035 -0.182 1.00 0.00 C ATOM 1013 OG SER A 72 2.032 11.227 -0.347 1.00 0.00 O ATOM 0 H SER A 72 3.752 10.186 0.451 1.00 0.00 H new ATOM 0 HA SER A 72 1.504 8.526 1.309 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.909 9.698 -1.154 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.390 10.248 0.427 1.00 0.00 H new ATOM 0 HG SER A 72 1.477 11.915 -0.771 1.00 0.00 H new ATOM 1019 N LEU A 73 1.670 6.676 -0.307 1.00 0.00 N ATOM 1020 CA LEU A 73 1.820 5.524 -1.180 1.00 0.00 C ATOM 1021 C LEU A 73 0.510 5.288 -1.934 1.00 0.00 C ATOM 1022 O LEU A 73 0.122 4.144 -2.167 1.00 0.00 O ATOM 1023 CB LEU A 73 2.300 4.309 -0.385 1.00 0.00 C ATOM 1024 CG LEU A 73 3.505 4.538 0.530 1.00 0.00 C ATOM 1025 CD1 LEU A 73 3.917 3.241 1.229 1.00 0.00 C ATOM 1026 CD2 LEU A 73 4.667 5.168 -0.242 1.00 0.00 C ATOM 0 H LEU A 73 1.017 6.544 0.465 1.00 0.00 H new ATOM 0 HA LEU A 73 2.590 5.710 -1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.471 3.947 0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.549 3.515 -1.089 1.00 0.00 H new ATOM 0 HG LEU A 73 3.215 5.244 1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.775 3.432 1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.086 2.872 1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.183 2.494 0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.511 5.320 0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.966 4.505 -1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.353 6.127 -0.653 1.00 0.00 H new ATOM 1038 N VAL A 74 -0.134 6.387 -2.296 1.00 0.00 N ATOM 1039 CA VAL A 74 -1.392 6.314 -3.020 1.00 0.00 C ATOM 1040 C VAL A 74 -1.158 6.701 -4.481 1.00 0.00 C ATOM 1041 O VAL A 74 -0.420 7.642 -4.767 1.00 0.00 O ATOM 1042 CB VAL A 74 -2.444 7.186 -2.331 1.00 0.00 C ATOM 1043 CG1 VAL A 74 -3.757 7.184 -3.116 1.00 0.00 C ATOM 1044 CG2 VAL A 74 -2.668 6.737 -0.886 1.00 0.00 C ATOM 0 H VAL A 74 0.192 7.334 -2.102 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.779 5.295 -3.012 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.069 8.209 -2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.487 7.811 -2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.582 7.574 -4.119 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.138 6.165 -3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.420 7.373 -0.420 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.011 5.702 -0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.733 6.815 -0.332 1.00 0.00 H new ATOM 1054 N GLY A 75 -1.800 5.955 -5.368 1.00 0.00 N ATOM 1055 CA GLY A 75 -1.671 6.208 -6.793 1.00 0.00 C ATOM 1056 C GLY A 75 -0.203 6.194 -7.222 1.00 0.00 C ATOM 1057 O GLY A 75 0.216 7.009 -8.042 1.00 0.00 O ATOM 0 H GLY A 75 -2.411 5.175 -5.127 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.224 5.453 -7.351 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.115 7.173 -7.036 1.00 0.00 H new ATOM 1061 N VAL A 76 0.539 5.259 -6.647 1.00 0.00 N ATOM 1062 CA VAL A 76 1.952 5.127 -6.959 1.00 0.00 C ATOM 1063 C VAL A 76 2.264 3.666 -7.285 1.00 0.00 C ATOM 1064 O VAL A 76 1.699 2.756 -6.680 1.00 0.00 O ATOM 1065 CB VAL A 76 2.796 5.676 -5.807 1.00 0.00 C ATOM 1066 CG1 VAL A 76 2.369 7.100 -5.444 1.00 0.00 C ATOM 1067 CG2 VAL A 76 2.724 4.754 -4.587 1.00 0.00 C ATOM 0 H VAL A 76 0.188 4.585 -5.966 1.00 0.00 H new ATOM 0 HA VAL A 76 2.205 5.717 -7.840 1.00 0.00 H new ATOM 0 HB VAL A 76 3.833 5.712 -6.139 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.985 7.466 -4.623 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.496 7.750 -6.310 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.322 7.100 -5.141 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.332 5.167 -3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.689 4.671 -4.254 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.099 3.766 -4.855 1.00 0.00 H new ATOM 1077 N THR A 77 3.164 3.485 -8.242 1.00 0.00 N ATOM 1078 CA THR A 77 3.558 2.149 -8.656 1.00 0.00 C ATOM 1079 C THR A 77 4.327 1.448 -7.534 1.00 0.00 C ATOM 1080 O THR A 77 5.085 2.085 -6.804 1.00 0.00 O ATOM 1081 CB THR A 77 4.357 2.273 -9.955 1.00 0.00 C ATOM 1082 OG1 THR A 77 4.750 0.936 -10.249 1.00 0.00 O ATOM 1083 CG2 THR A 77 5.680 3.017 -9.760 1.00 0.00 C ATOM 0 H THR A 77 3.631 4.242 -8.742 1.00 0.00 H new ATOM 0 HA THR A 77 2.688 1.523 -8.851 1.00 0.00 H new ATOM 0 HB THR A 77 3.757 2.791 -10.703 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.272 0.923 -11.078 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.207 3.077 -10.712 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.481 4.023 -9.391 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.296 2.481 -9.037 1.00 0.00 H new ATOM 1091 N GLN A 78 4.105 0.146 -7.432 1.00 0.00 N ATOM 1092 CA GLN A 78 4.768 -0.648 -6.412 1.00 0.00 C ATOM 1093 C GLN A 78 6.207 -0.166 -6.215 1.00 0.00 C ATOM 1094 O GLN A 78 6.637 0.072 -5.087 1.00 0.00 O ATOM 1095 CB GLN A 78 4.732 -2.136 -6.766 1.00 0.00 C ATOM 1096 CG GLN A 78 4.754 -3.001 -5.504 1.00 0.00 C ATOM 1097 CD GLN A 78 4.758 -4.489 -5.859 1.00 0.00 C ATOM 1098 OE1 GLN A 78 4.361 -4.897 -6.938 1.00 0.00 O ATOM 1099 NE2 GLN A 78 5.228 -5.274 -4.894 1.00 0.00 N ATOM 0 H GLN A 78 3.475 -0.379 -8.039 1.00 0.00 H new ATOM 0 HA GLN A 78 4.231 -0.518 -5.473 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.835 -2.354 -7.345 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.586 -2.384 -7.396 1.00 0.00 H new ATOM 0 HG2 GLN A 78 5.637 -2.763 -4.911 1.00 0.00 H new ATOM 0 HG3 GLN A 78 3.885 -2.773 -4.887 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.544 -4.867 -4.014 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.272 -6.283 -5.034 1.00 0.00 H new ATOM 1108 N ASN A 79 6.911 -0.035 -7.329 1.00 0.00 N ATOM 1109 CA ASN A 79 8.292 0.414 -7.293 1.00 0.00 C ATOM 1110 C ASN A 79 8.432 1.537 -6.263 1.00 0.00 C ATOM 1111 O ASN A 79 9.222 1.429 -5.326 1.00 0.00 O ATOM 1112 CB ASN A 79 8.728 0.964 -8.653 1.00 0.00 C ATOM 1113 CG ASN A 79 8.949 -0.169 -9.657 1.00 0.00 C ATOM 1114 OD1 ASN A 79 9.073 -1.330 -9.305 1.00 0.00 O ATOM 1115 ND2 ASN A 79 8.991 0.232 -10.924 1.00 0.00 N ATOM 0 H ASN A 79 6.551 -0.232 -8.263 1.00 0.00 H new ATOM 0 HA ASN A 79 8.917 -0.440 -7.031 1.00 0.00 H new ATOM 0 HB2 ASN A 79 7.969 1.648 -9.033 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.647 1.538 -8.539 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.134 -0.449 -11.670 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.880 1.220 -11.150 1.00 0.00 H new ATOM 1122 N PHE A 80 7.653 2.588 -6.471 1.00 0.00 N ATOM 1123 CA PHE A 80 7.680 3.729 -5.571 1.00 0.00 C ATOM 1124 C PHE A 80 7.549 3.282 -4.114 1.00 0.00 C ATOM 1125 O PHE A 80 8.414 3.577 -3.290 1.00 0.00 O ATOM 1126 CB PHE A 80 6.482 4.611 -5.931 1.00 0.00 C ATOM 1127 CG PHE A 80 6.296 5.815 -5.006 1.00 0.00 C ATOM 1128 CD1 PHE A 80 5.571 5.687 -3.862 1.00 0.00 C ATOM 1129 CD2 PHE A 80 6.855 7.012 -5.327 1.00 0.00 C ATOM 1130 CE1 PHE A 80 5.398 6.805 -3.004 1.00 0.00 C ATOM 1131 CE2 PHE A 80 6.682 8.130 -4.468 1.00 0.00 C ATOM 1132 CZ PHE A 80 5.957 8.003 -3.325 1.00 0.00 C ATOM 0 H PHE A 80 6.999 2.674 -7.249 1.00 0.00 H new ATOM 0 HA PHE A 80 8.625 4.263 -5.675 1.00 0.00 H new ATOM 0 HB2 PHE A 80 6.600 4.967 -6.954 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.577 4.004 -5.907 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.127 4.736 -3.607 1.00 0.00 H new ATOM 0 HD2 PHE A 80 7.431 7.113 -6.235 1.00 0.00 H new ATOM 0 HE1 PHE A 80 4.822 6.704 -2.096 1.00 0.00 H new ATOM 0 HE2 PHE A 80 7.126 9.081 -4.723 1.00 0.00 H new ATOM 0 HZ PHE A 80 5.825 8.853 -2.672 1.00 0.00 H new ATOM 1142 N ALA A 81 6.461 2.577 -3.840 1.00 0.00 N ATOM 1143 CA ALA A 81 6.206 2.086 -2.497 1.00 0.00 C ATOM 1144 C ALA A 81 7.410 1.272 -2.018 1.00 0.00 C ATOM 1145 O ALA A 81 7.869 1.441 -0.890 1.00 0.00 O ATOM 1146 CB ALA A 81 4.911 1.271 -2.488 1.00 0.00 C ATOM 0 H ALA A 81 5.746 2.334 -4.526 1.00 0.00 H new ATOM 0 HA ALA A 81 6.073 2.917 -1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.720 0.903 -1.480 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.082 1.902 -2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.008 0.427 -3.171 1.00 0.00 H new ATOM 1152 N ALA A 82 7.888 0.407 -2.901 1.00 0.00 N ATOM 1153 CA ALA A 82 9.030 -0.433 -2.583 1.00 0.00 C ATOM 1154 C ALA A 82 10.212 0.452 -2.183 1.00 0.00 C ATOM 1155 O ALA A 82 10.920 0.151 -1.223 1.00 0.00 O ATOM 1156 CB ALA A 82 9.351 -1.331 -3.779 1.00 0.00 C ATOM 0 H ALA A 82 7.505 0.270 -3.836 1.00 0.00 H new ATOM 0 HA ALA A 82 8.805 -1.084 -1.738 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.208 -1.961 -3.541 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.489 -1.959 -4.004 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.585 -0.713 -4.646 1.00 0.00 H new ATOM 1162 N THR A 83 10.391 1.524 -2.941 1.00 0.00 N ATOM 1163 CA THR A 83 11.476 2.454 -2.677 1.00 0.00 C ATOM 1164 C THR A 83 11.316 3.081 -1.291 1.00 0.00 C ATOM 1165 O THR A 83 12.274 3.148 -0.522 1.00 0.00 O ATOM 1166 CB THR A 83 11.502 3.482 -3.810 1.00 0.00 C ATOM 1167 OG1 THR A 83 12.027 2.761 -4.921 1.00 0.00 O ATOM 1168 CG2 THR A 83 12.528 4.592 -3.569 1.00 0.00 C ATOM 0 H THR A 83 9.803 1.769 -3.738 1.00 0.00 H new ATOM 0 HA THR A 83 12.439 1.944 -2.658 1.00 0.00 H new ATOM 0 HB THR A 83 10.511 3.921 -3.925 1.00 0.00 H new ATOM 0 HG1 THR A 83 11.330 2.183 -5.295 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.506 5.295 -4.402 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.286 5.117 -2.645 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.524 4.156 -3.488 1.00 0.00 H new ATOM 1176 N VAL A 84 10.099 3.524 -1.014 1.00 0.00 N ATOM 1177 CA VAL A 84 9.801 4.144 0.267 1.00 0.00 C ATOM 1178 C VAL A 84 10.129 3.161 1.392 1.00 0.00 C ATOM 1179 O VAL A 84 10.939 3.461 2.267 1.00 0.00 O ATOM 1180 CB VAL A 84 8.347 4.619 0.293 1.00 0.00 C ATOM 1181 CG1 VAL A 84 7.900 4.937 1.721 1.00 0.00 C ATOM 1182 CG2 VAL A 84 8.149 5.827 -0.625 1.00 0.00 C ATOM 0 H VAL A 84 9.307 3.466 -1.654 1.00 0.00 H new ATOM 0 HA VAL A 84 10.420 5.028 0.417 1.00 0.00 H new ATOM 0 HB VAL A 84 7.722 3.808 -0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.863 5.272 1.711 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.986 4.042 2.337 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.532 5.724 2.133 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.107 6.145 -0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.790 6.644 -0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 84 8.409 5.553 -1.648 1.00 0.00 H new ATOM 1192 N LEU A 85 9.482 2.006 1.333 1.00 0.00 N ATOM 1193 CA LEU A 85 9.694 0.977 2.336 1.00 0.00 C ATOM 1194 C LEU A 85 11.194 0.703 2.470 1.00 0.00 C ATOM 1195 O LEU A 85 11.647 0.197 3.496 1.00 0.00 O ATOM 1196 CB LEU A 85 8.869 -0.269 2.009 1.00 0.00 C ATOM 1197 CG LEU A 85 7.354 -0.067 1.927 1.00 0.00 C ATOM 1198 CD1 LEU A 85 6.672 -1.283 1.296 1.00 0.00 C ATOM 1199 CD2 LEU A 85 6.770 0.270 3.300 1.00 0.00 C ATOM 0 H LEU A 85 8.810 1.760 0.606 1.00 0.00 H new ATOM 0 HA LEU A 85 9.343 1.317 3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.214 -0.670 1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.074 -1.026 2.766 1.00 0.00 H new ATOM 0 HG LEU A 85 7.158 0.785 1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.596 -1.114 1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.059 -1.435 0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.874 -2.168 1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.692 0.408 3.213 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.976 -0.545 3.993 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.225 1.188 3.674 1.00 0.00 H new ATOM 1211 N ARG A 86 11.922 1.049 1.419 1.00 0.00 N ATOM 1212 CA ARG A 86 13.361 0.847 1.406 1.00 0.00 C ATOM 1213 C ARG A 86 14.075 2.076 1.972 1.00 0.00 C ATOM 1214 O ARG A 86 15.210 1.980 2.436 1.00 0.00 O ATOM 1215 CB ARG A 86 13.867 0.580 -0.013 1.00 0.00 C ATOM 1216 CG ARG A 86 13.594 -0.867 -0.429 1.00 0.00 C ATOM 1217 CD ARG A 86 13.342 -0.965 -1.935 1.00 0.00 C ATOM 1218 NE ARG A 86 14.309 -1.901 -2.550 1.00 0.00 N ATOM 1219 CZ ARG A 86 15.601 -1.615 -2.760 1.00 0.00 C ATOM 1220 NH1 ARG A 86 16.089 -0.418 -2.405 1.00 0.00 N ATOM 1221 NH2 ARG A 86 16.406 -2.525 -3.325 1.00 0.00 N ATOM 0 H ARG A 86 11.542 1.468 0.570 1.00 0.00 H new ATOM 0 HA ARG A 86 13.579 -0.022 2.027 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.380 1.261 -0.711 1.00 0.00 H new ATOM 0 HB3 ARG A 86 14.937 0.782 -0.065 1.00 0.00 H new ATOM 0 HG2 ARG A 86 14.443 -1.494 -0.157 1.00 0.00 H new ATOM 0 HG3 ARG A 86 12.729 -1.248 0.114 1.00 0.00 H new ATOM 0 HD2 ARG A 86 12.324 -1.307 -2.120 1.00 0.00 H new ATOM 0 HD3 ARG A 86 13.435 0.020 -2.393 1.00 0.00 H new ATOM 0 HE ARG A 86 13.971 -2.821 -2.832 1.00 0.00 H new ATOM 0 HH11 ARG A 86 15.477 0.275 -1.975 1.00 0.00 H new ATOM 0 HH12 ARG A 86 17.073 -0.200 -2.565 1.00 0.00 H new ATOM 0 HH21 ARG A 86 16.035 -3.436 -3.595 1.00 0.00 H new ATOM 0 HH22 ARG A 86 17.390 -2.307 -3.485 1.00 0.00 H new ATOM 1235 N ASN A 87 13.380 3.203 1.916 1.00 0.00 N ATOM 1236 CA ASN A 87 13.933 4.449 2.417 1.00 0.00 C ATOM 1237 C ASN A 87 13.699 4.535 3.927 1.00 0.00 C ATOM 1238 O ASN A 87 14.511 5.108 4.653 1.00 0.00 O ATOM 1239 CB ASN A 87 13.255 5.655 1.764 1.00 0.00 C ATOM 1240 CG ASN A 87 14.134 6.248 0.662 1.00 0.00 C ATOM 1241 OD1 ASN A 87 15.171 6.840 0.911 1.00 0.00 O ATOM 1242 ND2 ASN A 87 13.663 6.058 -0.567 1.00 0.00 N ATOM 0 H ASN A 87 12.438 3.279 1.531 1.00 0.00 H new ATOM 0 HA ASN A 87 14.997 4.464 2.183 1.00 0.00 H new ATOM 0 HB2 ASN A 87 12.295 5.354 1.346 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.050 6.414 2.519 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.177 6.417 -1.371 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.788 5.553 -0.705 1.00 0.00 H new ATOM 1249 N THR A 88 12.586 3.958 4.355 1.00 0.00 N ATOM 1250 CA THR A 88 12.235 3.962 5.765 1.00 0.00 C ATOM 1251 C THR A 88 13.484 3.762 6.626 1.00 0.00 C ATOM 1252 O THR A 88 14.493 3.243 6.151 1.00 0.00 O ATOM 1253 CB THR A 88 11.165 2.892 5.989 1.00 0.00 C ATOM 1254 OG1 THR A 88 11.647 1.762 5.268 1.00 0.00 O ATOM 1255 CG2 THR A 88 9.841 3.235 5.302 1.00 0.00 C ATOM 0 H THR A 88 11.915 3.484 3.750 1.00 0.00 H new ATOM 0 HA THR A 88 11.821 4.924 6.067 1.00 0.00 H new ATOM 0 HB THR A 88 10.997 2.765 7.059 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.889 1.250 4.917 1.00 0.00 H new ATOM 0 HG21 THR A 88 9.116 2.443 5.492 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.460 4.178 5.695 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.002 3.329 4.228 1.00 0.00 H new ATOM 1263 N LYS A 89 13.375 4.183 7.877 1.00 0.00 N ATOM 1264 CA LYS A 89 14.483 4.057 8.809 1.00 0.00 C ATOM 1265 C LYS A 89 13.992 3.380 10.090 1.00 0.00 C ATOM 1266 O LYS A 89 12.849 2.931 10.160 1.00 0.00 O ATOM 1267 CB LYS A 89 15.142 5.417 9.046 1.00 0.00 C ATOM 1268 CG LYS A 89 15.848 5.912 7.782 1.00 0.00 C ATOM 1269 CD LYS A 89 16.931 6.938 8.125 1.00 0.00 C ATOM 1270 CE LYS A 89 16.394 8.365 7.999 1.00 0.00 C ATOM 1271 NZ LYS A 89 17.468 9.348 8.260 1.00 0.00 N ATOM 0 H LYS A 89 12.536 4.612 8.268 1.00 0.00 H new ATOM 0 HA LYS A 89 15.262 3.420 8.390 1.00 0.00 H new ATOM 0 HB2 LYS A 89 14.388 6.142 9.353 1.00 0.00 H new ATOM 0 HB3 LYS A 89 15.861 5.340 9.862 1.00 0.00 H new ATOM 0 HG2 LYS A 89 16.295 5.068 7.257 1.00 0.00 H new ATOM 0 HG3 LYS A 89 15.120 6.359 7.106 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.289 6.769 9.141 1.00 0.00 H new ATOM 0 HD3 LYS A 89 17.785 6.807 7.460 1.00 0.00 H new ATOM 0 HE2 LYS A 89 15.987 8.520 7.000 1.00 0.00 H new ATOM 0 HE3 LYS A 89 15.576 8.516 8.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 17.086 10.311 8.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 17.838 9.210 9.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 18.236 9.214 7.571 1.00 0.00 H new ATOM 1285 N GLY A 90 14.880 3.327 11.071 1.00 0.00 N ATOM 1286 CA GLY A 90 14.551 2.712 12.346 1.00 0.00 C ATOM 1287 C GLY A 90 13.038 2.688 12.569 1.00 0.00 C ATOM 1288 O GLY A 90 12.381 1.687 12.286 1.00 0.00 O ATOM 0 H GLY A 90 15.827 3.700 11.009 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.943 1.695 12.375 1.00 0.00 H new ATOM 0 HA3 GLY A 90 15.033 3.262 13.154 1.00 0.00 H new ATOM 1292 N ASN A 91 12.528 3.802 13.073 1.00 0.00 N ATOM 1293 CA ASN A 91 11.104 3.921 13.337 1.00 0.00 C ATOM 1294 C ASN A 91 10.394 4.406 12.072 1.00 0.00 C ATOM 1295 O ASN A 91 10.858 5.336 11.413 1.00 0.00 O ATOM 1296 CB ASN A 91 10.833 4.935 14.450 1.00 0.00 C ATOM 1297 CG ASN A 91 9.983 4.317 15.561 1.00 0.00 C ATOM 1298 OD1 ASN A 91 10.240 4.485 16.741 1.00 0.00 O ATOM 1299 ND2 ASN A 91 8.958 3.593 15.118 1.00 0.00 N ATOM 0 H ASN A 91 13.076 4.631 13.306 1.00 0.00 H new ATOM 0 HA ASN A 91 10.735 2.942 13.643 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.778 5.287 14.864 1.00 0.00 H new ATOM 0 HB3 ASN A 91 10.322 5.805 14.038 1.00 0.00 H new ATOM 0 HD21 ASN A 91 8.331 3.138 15.781 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.800 3.493 14.115 1.00 0.00 H new ATOM 1306 N VAL A 92 9.281 3.754 11.769 1.00 0.00 N ATOM 1307 CA VAL A 92 8.503 4.108 10.594 1.00 0.00 C ATOM 1308 C VAL A 92 7.028 4.231 10.983 1.00 0.00 C ATOM 1309 O VAL A 92 6.514 3.416 11.747 1.00 0.00 O ATOM 1310 CB VAL A 92 8.744 3.087 9.480 1.00 0.00 C ATOM 1311 CG1 VAL A 92 8.126 3.558 8.162 1.00 0.00 C ATOM 1312 CG2 VAL A 92 10.238 2.800 9.314 1.00 0.00 C ATOM 0 H VAL A 92 8.900 2.983 12.317 1.00 0.00 H new ATOM 0 HA VAL A 92 8.819 5.076 10.204 1.00 0.00 H new ATOM 0 HB VAL A 92 8.254 2.156 9.766 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.312 2.814 7.387 1.00 0.00 H new ATOM 0 HG12 VAL A 92 7.051 3.688 8.290 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.574 4.507 7.869 1.00 0.00 H new ATOM 0 HG21 VAL A 92 10.382 2.071 8.516 1.00 0.00 H new ATOM 0 HG22 VAL A 92 10.760 3.723 9.061 1.00 0.00 H new ATOM 0 HG23 VAL A 92 10.638 2.401 10.246 1.00 0.00 H new ATOM 1322 N ARG A 93 6.389 5.256 10.439 1.00 0.00 N ATOM 1323 CA ARG A 93 4.984 5.496 10.719 1.00 0.00 C ATOM 1324 C ARG A 93 4.124 5.070 9.528 1.00 0.00 C ATOM 1325 O ARG A 93 4.096 5.750 8.503 1.00 0.00 O ATOM 1326 CB ARG A 93 4.727 6.974 11.021 1.00 0.00 C ATOM 1327 CG ARG A 93 3.949 7.139 12.328 1.00 0.00 C ATOM 1328 CD ARG A 93 3.229 8.489 12.370 1.00 0.00 C ATOM 1329 NE ARG A 93 4.038 9.471 13.126 1.00 0.00 N ATOM 1330 CZ ARG A 93 4.244 9.416 14.449 1.00 0.00 C ATOM 1331 NH1 ARG A 93 3.701 8.426 15.170 1.00 0.00 N ATOM 1332 NH2 ARG A 93 4.992 10.351 15.050 1.00 0.00 N ATOM 0 H ARG A 93 6.819 5.930 9.805 1.00 0.00 H new ATOM 0 HA ARG A 93 4.716 4.905 11.595 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.676 7.505 11.089 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.168 7.425 10.201 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.223 6.332 12.428 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.631 7.060 13.174 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.057 8.851 11.356 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.251 8.374 12.837 1.00 0.00 H new ATOM 0 HE ARG A 93 4.466 10.238 12.607 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.131 7.715 14.712 1.00 0.00 H new ATOM 0 HH12 ARG A 93 3.857 8.383 16.177 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.405 11.105 14.501 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.149 10.309 16.057 1.00 0.00 H new ATOM 1346 N PHE A 94 3.444 3.946 9.701 1.00 0.00 N ATOM 1347 CA PHE A 94 2.586 3.421 8.653 1.00 0.00 C ATOM 1348 C PHE A 94 1.119 3.758 8.925 1.00 0.00 C ATOM 1349 O PHE A 94 0.577 3.391 9.967 1.00 0.00 O ATOM 1350 CB PHE A 94 2.757 1.900 8.655 1.00 0.00 C ATOM 1351 CG PHE A 94 4.158 1.431 8.257 1.00 0.00 C ATOM 1352 CD1 PHE A 94 4.483 1.298 6.943 1.00 0.00 C ATOM 1353 CD2 PHE A 94 5.079 1.148 9.216 1.00 0.00 C ATOM 1354 CE1 PHE A 94 5.783 0.863 6.573 1.00 0.00 C ATOM 1355 CE2 PHE A 94 6.379 0.712 8.847 1.00 0.00 C ATOM 1356 CZ PHE A 94 6.703 0.579 7.533 1.00 0.00 C ATOM 0 H PHE A 94 3.470 3.384 10.552 1.00 0.00 H new ATOM 0 HA PHE A 94 2.859 3.860 7.694 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.527 1.520 9.650 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.030 1.462 7.971 1.00 0.00 H new ATOM 0 HD1 PHE A 94 3.752 1.523 6.181 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.822 1.255 10.259 1.00 0.00 H new ATOM 0 HE1 PHE A 94 6.041 0.758 5.530 1.00 0.00 H new ATOM 0 HE2 PHE A 94 7.110 0.486 9.609 1.00 0.00 H new ATOM 0 HZ PHE A 94 7.692 0.248 7.252 1.00 0.00 H new ATOM 1366 N VAL A 95 0.517 4.452 7.970 1.00 0.00 N ATOM 1367 CA VAL A 95 -0.877 4.842 8.094 1.00 0.00 C ATOM 1368 C VAL A 95 -1.746 3.876 7.286 1.00 0.00 C ATOM 1369 O VAL A 95 -1.943 4.067 6.087 1.00 0.00 O ATOM 1370 CB VAL A 95 -1.052 6.301 7.669 1.00 0.00 C ATOM 1371 CG1 VAL A 95 -2.459 6.548 7.123 1.00 0.00 C ATOM 1372 CG2 VAL A 95 -0.738 7.250 8.828 1.00 0.00 C ATOM 0 H VAL A 95 0.969 4.754 7.107 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.200 4.779 9.133 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.342 6.505 6.867 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.557 7.593 6.828 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.631 5.909 6.257 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.194 6.318 7.894 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.870 8.281 8.500 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.412 7.045 9.659 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.292 7.101 9.151 1.00 0.00 H new ATOM 1382 N ILE A 96 -2.242 2.859 7.975 1.00 0.00 N ATOM 1383 CA ILE A 96 -3.086 1.863 7.337 1.00 0.00 C ATOM 1384 C ILE A 96 -4.508 2.412 7.206 1.00 0.00 C ATOM 1385 O ILE A 96 -4.903 3.305 7.955 1.00 0.00 O ATOM 1386 CB ILE A 96 -3.007 0.533 8.089 1.00 0.00 C ATOM 1387 CG1 ILE A 96 -1.588 0.275 8.600 1.00 0.00 C ATOM 1388 CG2 ILE A 96 -3.523 -0.618 7.222 1.00 0.00 C ATOM 1389 CD1 ILE A 96 -0.562 0.440 7.477 1.00 0.00 C ATOM 0 H ILE A 96 -2.076 2.703 8.969 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.731 1.654 6.328 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.657 0.595 8.962 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.359 0.966 9.411 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.523 -0.732 9.011 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.456 -1.552 7.780 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.562 -0.431 6.950 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.919 -0.691 6.318 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.438 0.251 7.867 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.780 -0.269 6.678 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.612 1.456 7.084 1.00 0.00 H new ATOM 1401 N GLY A 97 -5.237 1.857 6.250 1.00 0.00 N ATOM 1402 CA GLY A 97 -6.607 2.280 6.012 1.00 0.00 C ATOM 1403 C GLY A 97 -7.573 1.100 6.126 1.00 0.00 C ATOM 1404 O GLY A 97 -7.631 0.252 5.237 1.00 0.00 O ATOM 0 H GLY A 97 -4.905 1.118 5.631 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.883 3.051 6.731 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.687 2.725 5.020 1.00 0.00 H new ATOM 1408 N ARG A 98 -8.308 1.083 7.229 1.00 0.00 N ATOM 1409 CA ARG A 98 -9.269 0.020 7.471 1.00 0.00 C ATOM 1410 C ARG A 98 -10.686 0.505 7.159 1.00 0.00 C ATOM 1411 O ARG A 98 -10.991 1.687 7.317 1.00 0.00 O ATOM 1412 CB ARG A 98 -9.209 -0.457 8.923 1.00 0.00 C ATOM 1413 CG ARG A 98 -8.996 -1.970 8.995 1.00 0.00 C ATOM 1414 CD ARG A 98 -7.634 -2.304 9.608 1.00 0.00 C ATOM 1415 NE ARG A 98 -6.965 -3.356 8.811 1.00 0.00 N ATOM 1416 CZ ARG A 98 -7.409 -4.616 8.707 1.00 0.00 C ATOM 1417 NH1 ARG A 98 -8.525 -4.988 9.348 1.00 0.00 N ATOM 1418 NH2 ARG A 98 -6.737 -5.504 7.962 1.00 0.00 N ATOM 0 H ARG A 98 -8.257 1.788 7.964 1.00 0.00 H new ATOM 0 HA ARG A 98 -9.014 -0.813 6.816 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.399 0.053 9.444 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -10.134 -0.192 9.435 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.788 -2.424 9.590 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.063 -2.398 7.995 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.012 -1.410 9.641 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.762 -2.641 10.637 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.113 -3.106 8.309 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.037 -4.312 9.915 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -8.863 -5.947 9.269 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -5.887 -5.221 7.474 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -7.075 -6.463 7.883 1.00 0.00 H new ATOM 1432 N GLU A 99 -11.515 -0.431 6.721 1.00 0.00 N ATOM 1433 CA GLU A 99 -12.893 -0.114 6.385 1.00 0.00 C ATOM 1434 C GLU A 99 -13.684 0.220 7.651 1.00 0.00 C ATOM 1435 O GLU A 99 -13.807 -0.613 8.548 1.00 0.00 O ATOM 1436 CB GLU A 99 -13.548 -1.262 5.615 1.00 0.00 C ATOM 1437 CG GLU A 99 -13.635 -0.941 4.122 1.00 0.00 C ATOM 1438 CD GLU A 99 -13.473 -2.208 3.279 1.00 0.00 C ATOM 1439 OE1 GLU A 99 -12.352 -2.761 3.295 1.00 0.00 O ATOM 1440 OE2 GLU A 99 -14.473 -2.594 2.636 1.00 0.00 O ATOM 0 H GLU A 99 -11.259 -1.410 6.591 1.00 0.00 H new ATOM 0 HA GLU A 99 -12.896 0.762 5.736 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -12.974 -2.177 5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -14.547 -1.446 6.010 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -14.595 -0.474 3.902 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.861 -0.221 3.855 1.00 0.00 H new