USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 652 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 7 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.1) USER MOD Single : A 11 LYS NZ :NH3+ -169:sc= -0.0127 (180deg=-0.283) USER MOD Single : A 13 THR OG1 : rot 140:sc= -1.05 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 145:sc= -0.194 (180deg=-0.827) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= 1.05 K(o=1,f=-0.31) USER MOD Single : A 28 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.3) USER MOD Single : A 31 ASN : amide:sc= -0.0182 X(o=-0.018,f=-0.23) USER MOD Single : A 47 GLN : amide:sc= -2.08! C(o=-2.1!,f=-1.9!) USER MOD Single : A 48 TYR OH : rot -12:sc= -3.04! USER MOD Single : A 50 MET CE :methyl 159:sc= -5.09! (180deg=-6.93!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0438 USER MOD Single : A 61 HIS : no HD1:sc= -18.4! C(o=-18!,f=-24!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.024) USER MOD Single : A 76 SER OG : rot 85:sc= 0 USER MOD Single : A 77 MET CE :methyl -156:sc= -5.16! (180deg=-7.46!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 87 TYR OH : rot 141:sc= 0.733 USER MOD Single : A 97 THR OG1 : rot 38:sc= 0.435 USER MOD Single : A 100 ASN : amide:sc= -0.422 K(o=-0.42,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 94 N GLN A 7 -11.582 6.383 5.126 1.00 0.00 N ATOM 95 CA GLN A 7 -11.012 5.919 3.872 1.00 0.00 C ATOM 96 C GLN A 7 -10.682 7.108 2.967 1.00 0.00 C ATOM 97 O GLN A 7 -11.560 7.639 2.289 1.00 0.00 O ATOM 98 CB GLN A 7 -11.956 4.941 3.170 1.00 0.00 C ATOM 99 CG GLN A 7 -11.373 4.480 1.833 1.00 0.00 C ATOM 100 CD GLN A 7 -12.479 4.253 0.801 1.00 0.00 C ATOM 101 OE1 GLN A 7 -12.806 3.135 0.438 1.00 0.00 O ATOM 102 NE2 GLN A 7 -13.036 5.374 0.350 1.00 0.00 N ATOM 0 HA GLN A 7 -10.087 5.386 4.091 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -12.133 4.077 3.811 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -12.922 5.418 3.004 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -10.672 5.227 1.461 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -10.810 3.558 1.977 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -12.715 6.278 0.696 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -13.784 5.329 -0.342 1.00 0.00 H new ATOM 111 N PHE A 8 -9.413 7.489 2.985 1.00 0.00 N ATOM 112 CA PHE A 8 -8.956 8.605 2.174 1.00 0.00 C ATOM 113 C PHE A 8 -8.855 8.207 0.700 1.00 0.00 C ATOM 114 O PHE A 8 -8.791 7.022 0.377 1.00 0.00 O ATOM 115 CB PHE A 8 -7.565 8.987 2.683 1.00 0.00 C ATOM 116 CG PHE A 8 -7.476 9.133 4.204 1.00 0.00 C ATOM 117 CD1 PHE A 8 -8.486 9.733 4.889 1.00 0.00 C ATOM 118 CD2 PHE A 8 -6.388 8.662 4.870 1.00 0.00 C ATOM 119 CE1 PHE A 8 -8.404 9.868 6.300 1.00 0.00 C ATOM 120 CE2 PHE A 8 -6.306 8.797 6.281 1.00 0.00 C ATOM 121 CZ PHE A 8 -7.316 9.397 6.966 1.00 0.00 C ATOM 0 H PHE A 8 -8.687 7.045 3.548 1.00 0.00 H new ATOM 0 HA PHE A 8 -9.660 9.434 2.251 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.850 8.230 2.359 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -7.266 9.927 2.220 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -9.350 10.107 4.360 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.586 8.185 4.326 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.206 10.345 6.844 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -5.442 8.423 6.810 1.00 0.00 H new ATOM 0 HZ PHE A 8 -7.254 9.499 8.039 1.00 0.00 H new ATOM 131 N ILE A 9 -8.846 9.220 -0.154 1.00 0.00 N ATOM 132 CA ILE A 9 -8.754 8.991 -1.586 1.00 0.00 C ATOM 133 C ILE A 9 -7.321 8.591 -1.943 1.00 0.00 C ATOM 134 O ILE A 9 -6.391 9.374 -1.759 1.00 0.00 O ATOM 135 CB ILE A 9 -9.263 10.210 -2.357 1.00 0.00 C ATOM 136 CG1 ILE A 9 -10.589 10.711 -1.779 1.00 0.00 C ATOM 137 CG2 ILE A 9 -9.369 9.908 -3.853 1.00 0.00 C ATOM 138 CD1 ILE A 9 -11.690 9.662 -1.944 1.00 0.00 C ATOM 0 H ILE A 9 -8.901 10.201 0.118 1.00 0.00 H new ATOM 0 HA ILE A 9 -9.399 8.164 -1.882 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.536 11.014 -2.241 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.463 10.948 -0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.883 11.634 -2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.733 10.791 -4.378 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.387 9.635 -4.240 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.062 9.082 -4.009 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.621 10.043 -1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.830 9.445 -3.003 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.404 8.749 -1.422 1.00 0.00 H new ATOM 150 N PHE A 10 -7.189 7.373 -2.447 1.00 0.00 N ATOM 151 CA PHE A 10 -5.885 6.860 -2.832 1.00 0.00 C ATOM 152 C PHE A 10 -6.023 5.698 -3.818 1.00 0.00 C ATOM 153 O PHE A 10 -6.770 4.753 -3.569 1.00 0.00 O ATOM 154 CB PHE A 10 -5.209 6.354 -1.557 1.00 0.00 C ATOM 155 CG PHE A 10 -3.683 6.290 -1.644 1.00 0.00 C ATOM 156 CD1 PHE A 10 -3.087 5.418 -2.501 1.00 0.00 C ATOM 157 CD2 PHE A 10 -2.923 7.105 -0.865 1.00 0.00 C ATOM 158 CE1 PHE A 10 -1.671 5.359 -2.583 1.00 0.00 C ATOM 159 CE2 PHE A 10 -1.506 7.046 -0.947 1.00 0.00 C ATOM 160 CZ PHE A 10 -0.910 6.175 -1.804 1.00 0.00 C ATOM 0 H PHE A 10 -7.963 6.726 -2.598 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.304 7.645 -3.316 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.488 7.004 -0.728 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.591 5.360 -1.326 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.691 4.770 -3.119 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.396 7.797 -0.184 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.198 4.667 -3.264 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.902 7.693 -0.328 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.167 6.131 -1.867 1.00 0.00 H new ATOM 170 N LYS A 11 -5.290 5.806 -4.916 1.00 0.00 N ATOM 171 CA LYS A 11 -5.320 4.776 -5.941 1.00 0.00 C ATOM 172 C LYS A 11 -3.888 4.431 -6.355 1.00 0.00 C ATOM 173 O LYS A 11 -3.142 5.300 -6.804 1.00 0.00 O ATOM 174 CB LYS A 11 -6.211 5.207 -7.108 1.00 0.00 C ATOM 175 CG LYS A 11 -7.678 5.286 -6.678 1.00 0.00 C ATOM 176 CD LYS A 11 -8.348 6.539 -7.245 1.00 0.00 C ATOM 177 CE LYS A 11 -8.024 7.768 -6.392 1.00 0.00 C ATOM 178 NZ LYS A 11 -8.786 8.944 -6.868 1.00 0.00 N ATOM 0 H LYS A 11 -4.671 6.591 -5.119 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.767 3.862 -5.549 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.885 6.178 -7.480 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.107 4.499 -7.930 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.210 4.398 -7.021 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.742 5.296 -5.590 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.012 6.704 -8.269 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.427 6.393 -7.283 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.267 7.568 -5.348 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.955 7.977 -6.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.422 9.803 -6.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.680 9.032 -7.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.792 8.825 -6.632 1.00 0.00 H new ATOM 192 N VAL A 12 -3.547 3.162 -6.189 1.00 0.00 N ATOM 193 CA VAL A 12 -2.218 2.692 -6.539 1.00 0.00 C ATOM 194 C VAL A 12 -2.311 1.775 -7.761 1.00 0.00 C ATOM 195 O VAL A 12 -3.277 1.028 -7.908 1.00 0.00 O ATOM 196 CB VAL A 12 -1.567 2.015 -5.332 1.00 0.00 C ATOM 197 CG1 VAL A 12 -2.010 0.555 -5.217 1.00 0.00 C ATOM 198 CG2 VAL A 12 -0.042 2.121 -5.399 1.00 0.00 C ATOM 0 H VAL A 12 -4.169 2.444 -5.816 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.576 3.530 -6.810 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.900 2.538 -4.436 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.533 0.097 -4.351 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.093 0.511 -5.100 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.721 0.015 -6.118 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.395 1.632 -4.529 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.317 1.636 -6.307 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.250 3.171 -5.409 1.00 0.00 H new ATOM 208 N THR A 13 -1.294 1.863 -8.606 1.00 0.00 N ATOM 209 CA THR A 13 -1.250 1.050 -9.809 1.00 0.00 C ATOM 210 C THR A 13 -1.300 -0.437 -9.452 1.00 0.00 C ATOM 211 O THR A 13 -0.628 -0.878 -8.521 1.00 0.00 O ATOM 212 CB THR A 13 0.001 1.443 -10.599 1.00 0.00 C ATOM 213 OG1 THR A 13 1.036 1.467 -9.620 1.00 0.00 O ATOM 214 CG2 THR A 13 -0.060 2.883 -11.112 1.00 0.00 C ATOM 0 H THR A 13 -0.495 2.484 -8.481 1.00 0.00 H new ATOM 0 HA THR A 13 -2.121 1.230 -10.439 1.00 0.00 H new ATOM 0 HB THR A 13 0.128 0.762 -11.441 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.854 1.082 -9.999 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.851 3.111 -11.665 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.922 2.999 -11.769 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.152 3.566 -10.268 1.00 0.00 H new ATOM 222 N ASP A 14 -2.104 -1.168 -10.210 1.00 0.00 N ATOM 223 CA ASP A 14 -2.251 -2.596 -9.985 1.00 0.00 C ATOM 224 C ASP A 14 -0.868 -3.223 -9.798 1.00 0.00 C ATOM 225 O ASP A 14 -0.717 -4.194 -9.058 1.00 0.00 O ATOM 226 CB ASP A 14 -2.922 -3.276 -11.180 1.00 0.00 C ATOM 227 CG ASP A 14 -4.137 -4.138 -10.835 1.00 0.00 C ATOM 228 OD1 ASP A 14 -5.033 -3.605 -10.144 1.00 0.00 O ATOM 229 OD2 ASP A 14 -4.144 -5.310 -11.269 1.00 0.00 O ATOM 0 H ASP A 14 -2.660 -0.798 -10.981 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.869 -2.736 -9.098 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.230 -2.508 -11.890 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.185 -3.900 -11.685 1.00 0.00 H new ATOM 234 N LYS A 15 0.107 -2.643 -10.483 1.00 0.00 N ATOM 235 CA LYS A 15 1.472 -3.134 -10.402 1.00 0.00 C ATOM 236 C LYS A 15 2.001 -2.926 -8.982 1.00 0.00 C ATOM 237 O LYS A 15 2.633 -3.816 -8.414 1.00 0.00 O ATOM 238 CB LYS A 15 2.340 -2.484 -11.482 1.00 0.00 C ATOM 239 CG LYS A 15 3.155 -3.536 -12.237 1.00 0.00 C ATOM 240 CD LYS A 15 2.245 -4.445 -13.065 1.00 0.00 C ATOM 241 CE LYS A 15 2.860 -4.736 -14.435 1.00 0.00 C ATOM 242 NZ LYS A 15 2.671 -3.583 -15.344 1.00 0.00 N ATOM 0 H LYS A 15 -0.021 -1.838 -11.096 1.00 0.00 H new ATOM 0 HA LYS A 15 1.504 -4.205 -10.601 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.708 -1.938 -12.182 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.012 -1.757 -11.025 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.875 -3.043 -12.891 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.726 -4.136 -11.529 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.077 -5.381 -12.532 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.271 -3.972 -13.193 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.923 -4.949 -14.325 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.399 -5.625 -14.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.094 -3.797 -16.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.655 -3.398 -15.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.131 -2.743 -14.939 1.00 0.00 H new ATOM 256 N ALA A 16 1.723 -1.746 -8.447 1.00 0.00 N ATOM 257 CA ALA A 16 2.163 -1.410 -7.104 1.00 0.00 C ATOM 258 C ALA A 16 1.645 -2.465 -6.124 1.00 0.00 C ATOM 259 O ALA A 16 2.394 -2.953 -5.279 1.00 0.00 O ATOM 260 CB ALA A 16 1.687 -0.001 -6.748 1.00 0.00 C ATOM 0 H ALA A 16 1.198 -1.010 -8.920 1.00 0.00 H new ATOM 0 HA ALA A 16 3.251 -1.411 -7.045 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.017 0.251 -5.740 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.105 0.714 -7.456 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.599 0.038 -6.793 1.00 0.00 H new ATOM 266 N VAL A 17 0.368 -2.787 -6.270 1.00 0.00 N ATOM 267 CA VAL A 17 -0.258 -3.775 -5.408 1.00 0.00 C ATOM 268 C VAL A 17 0.332 -5.154 -5.709 1.00 0.00 C ATOM 269 O VAL A 17 0.650 -5.910 -4.792 1.00 0.00 O ATOM 270 CB VAL A 17 -1.778 -3.725 -5.574 1.00 0.00 C ATOM 271 CG1 VAL A 17 -2.401 -5.103 -5.336 1.00 0.00 C ATOM 272 CG2 VAL A 17 -2.397 -2.676 -4.649 1.00 0.00 C ATOM 0 H VAL A 17 -0.250 -2.381 -6.972 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.052 -3.555 -4.361 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.993 -3.433 -6.602 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.482 -5.040 -5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.994 -5.815 -6.054 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.171 -5.437 -4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.478 -2.661 -4.787 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.167 -2.924 -3.613 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.988 -1.694 -4.887 1.00 0.00 H new ATOM 282 N GLU A 18 0.459 -5.440 -6.996 1.00 0.00 N ATOM 283 CA GLU A 18 1.005 -6.715 -7.429 1.00 0.00 C ATOM 284 C GLU A 18 2.406 -6.917 -6.850 1.00 0.00 C ATOM 285 O GLU A 18 2.799 -8.041 -6.541 1.00 0.00 O ATOM 286 CB GLU A 18 1.023 -6.814 -8.956 1.00 0.00 C ATOM 287 CG GLU A 18 0.375 -8.117 -9.429 1.00 0.00 C ATOM 288 CD GLU A 18 0.766 -8.431 -10.874 1.00 0.00 C ATOM 289 OE1 GLU A 18 0.813 -7.469 -11.671 1.00 0.00 O ATOM 290 OE2 GLU A 18 1.010 -9.626 -11.150 1.00 0.00 O ATOM 0 H GLU A 18 0.193 -4.811 -7.753 1.00 0.00 H new ATOM 0 HA GLU A 18 0.360 -7.510 -7.054 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.493 -5.964 -9.385 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.051 -6.764 -9.315 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.682 -8.937 -8.779 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.709 -8.037 -9.351 1.00 0.00 H new ATOM 297 N GLU A 19 3.123 -5.810 -6.720 1.00 0.00 N ATOM 298 CA GLU A 19 4.473 -5.851 -6.184 1.00 0.00 C ATOM 299 C GLU A 19 4.472 -6.487 -4.792 1.00 0.00 C ATOM 300 O GLU A 19 5.439 -7.142 -4.405 1.00 0.00 O ATOM 301 CB GLU A 19 5.090 -4.452 -6.146 1.00 0.00 C ATOM 302 CG GLU A 19 6.413 -4.456 -5.376 1.00 0.00 C ATOM 303 CD GLU A 19 7.501 -5.191 -6.161 1.00 0.00 C ATOM 304 OE1 GLU A 19 7.457 -5.107 -7.407 1.00 0.00 O ATOM 305 OE2 GLU A 19 8.353 -5.821 -5.497 1.00 0.00 O ATOM 0 H GLU A 19 2.794 -4.879 -6.977 1.00 0.00 H new ATOM 0 HA GLU A 19 5.086 -6.466 -6.843 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.258 -4.097 -7.163 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.394 -3.757 -5.677 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.729 -3.431 -5.183 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.273 -4.934 -4.407 1.00 0.00 H new ATOM 312 N ILE A 20 3.376 -6.273 -4.079 1.00 0.00 N ATOM 313 CA ILE A 20 3.236 -6.818 -2.740 1.00 0.00 C ATOM 314 C ILE A 20 2.998 -8.327 -2.829 1.00 0.00 C ATOM 315 O ILE A 20 3.517 -9.090 -2.017 1.00 0.00 O ATOM 316 CB ILE A 20 2.149 -6.069 -1.967 1.00 0.00 C ATOM 317 CG1 ILE A 20 2.614 -4.659 -1.594 1.00 0.00 C ATOM 318 CG2 ILE A 20 1.698 -6.866 -0.741 1.00 0.00 C ATOM 319 CD1 ILE A 20 2.467 -3.702 -2.779 1.00 0.00 C ATOM 0 H ILE A 20 2.576 -5.729 -4.404 1.00 0.00 H new ATOM 0 HA ILE A 20 4.155 -6.673 -2.173 1.00 0.00 H new ATOM 0 HB ILE A 20 1.281 -5.961 -2.618 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.030 -4.291 -0.750 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.655 -4.689 -1.273 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.925 -6.310 -0.210 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.299 -7.829 -1.060 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.549 -7.027 -0.079 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.804 -2.707 -2.487 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.071 -4.060 -3.613 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.421 -3.656 -3.082 1.00 0.00 H new ATOM 331 N LYS A 21 2.211 -8.711 -3.824 1.00 0.00 N ATOM 332 CA LYS A 21 1.898 -10.115 -4.031 1.00 0.00 C ATOM 333 C LYS A 21 3.195 -10.926 -4.048 1.00 0.00 C ATOM 334 O LYS A 21 3.257 -12.015 -3.480 1.00 0.00 O ATOM 335 CB LYS A 21 1.044 -10.294 -5.288 1.00 0.00 C ATOM 336 CG LYS A 21 -0.447 -10.274 -4.946 1.00 0.00 C ATOM 337 CD LYS A 21 -1.003 -8.850 -4.997 1.00 0.00 C ATOM 338 CE LYS A 21 -2.112 -8.731 -6.043 1.00 0.00 C ATOM 339 NZ LYS A 21 -3.176 -9.727 -5.785 1.00 0.00 N ATOM 0 H LYS A 21 1.781 -8.075 -4.495 1.00 0.00 H new ATOM 0 HA LYS A 21 1.295 -10.496 -3.207 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.268 -9.500 -6.000 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.297 -11.237 -5.772 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.993 -10.906 -5.646 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.601 -10.693 -3.952 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.391 -8.572 -4.017 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.200 -8.151 -5.232 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.533 -7.726 -6.022 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.698 -8.882 -7.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.100 -9.321 -6.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.003 -10.577 -6.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.174 -9.984 -4.777 1.00 0.00 H new ATOM 353 N LYS A 22 4.199 -10.363 -4.705 1.00 0.00 N ATOM 354 CA LYS A 22 5.491 -11.020 -4.803 1.00 0.00 C ATOM 355 C LYS A 22 6.223 -10.898 -3.465 1.00 0.00 C ATOM 356 O LYS A 22 6.693 -11.895 -2.917 1.00 0.00 O ATOM 357 CB LYS A 22 6.283 -10.470 -5.990 1.00 0.00 C ATOM 358 CG LYS A 22 6.665 -11.589 -6.961 1.00 0.00 C ATOM 359 CD LYS A 22 7.924 -11.225 -7.750 1.00 0.00 C ATOM 360 CE LYS A 22 9.185 -11.503 -6.929 1.00 0.00 C ATOM 361 NZ LYS A 22 10.391 -11.405 -7.781 1.00 0.00 N ATOM 0 H LYS A 22 4.143 -9.459 -5.174 1.00 0.00 H new ATOM 0 HA LYS A 22 5.363 -12.084 -5.001 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.689 -9.719 -6.511 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.184 -9.972 -5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.833 -12.513 -6.408 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.841 -11.775 -7.650 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.955 -11.798 -8.677 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.892 -10.172 -8.028 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.255 -10.791 -6.107 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.126 -12.497 -6.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.237 -11.597 -7.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.330 -12.101 -8.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.455 -10.448 -8.184 1.00 0.00 H new ATOM 375 N VAL A 23 6.298 -9.669 -2.978 1.00 0.00 N ATOM 376 CA VAL A 23 6.965 -9.403 -1.715 1.00 0.00 C ATOM 377 C VAL A 23 6.373 -10.306 -0.631 1.00 0.00 C ATOM 378 O VAL A 23 7.096 -10.809 0.228 1.00 0.00 O ATOM 379 CB VAL A 23 6.868 -7.915 -1.373 1.00 0.00 C ATOM 380 CG1 VAL A 23 6.896 -7.697 0.141 1.00 0.00 C ATOM 381 CG2 VAL A 23 7.978 -7.120 -2.063 1.00 0.00 C ATOM 0 H VAL A 23 5.908 -8.845 -3.436 1.00 0.00 H new ATOM 0 HA VAL A 23 8.027 -9.636 -1.788 1.00 0.00 H new ATOM 0 HB VAL A 23 5.912 -7.547 -1.746 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.826 -6.631 0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.054 -8.216 0.599 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.828 -8.089 0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.886 -6.065 -1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.949 -7.491 -1.735 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.891 -7.236 -3.143 1.00 0.00 H new ATOM 391 N ALA A 24 5.062 -10.483 -0.705 1.00 0.00 N ATOM 392 CA ALA A 24 4.364 -11.316 0.260 1.00 0.00 C ATOM 393 C ALA A 24 4.624 -12.789 -0.062 1.00 0.00 C ATOM 394 O ALA A 24 4.861 -13.592 0.838 1.00 0.00 O ATOM 395 CB ALA A 24 2.873 -10.971 0.248 1.00 0.00 C ATOM 0 H ALA A 24 4.465 -10.064 -1.418 1.00 0.00 H new ATOM 0 HA ALA A 24 4.734 -11.128 1.268 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.349 -11.596 0.972 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.740 -9.922 0.511 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.466 -11.150 -0.747 1.00 0.00 H new ATOM 401 N GLN A 25 4.570 -13.099 -1.349 1.00 0.00 N ATOM 402 CA GLN A 25 4.797 -14.461 -1.801 1.00 0.00 C ATOM 403 C GLN A 25 6.109 -14.999 -1.228 1.00 0.00 C ATOM 404 O GLN A 25 6.168 -16.137 -0.764 1.00 0.00 O ATOM 405 CB GLN A 25 4.793 -14.540 -3.329 1.00 0.00 C ATOM 406 CG GLN A 25 3.560 -15.291 -3.836 1.00 0.00 C ATOM 407 CD GLN A 25 3.525 -15.316 -5.366 1.00 0.00 C ATOM 408 OE1 GLN A 25 3.213 -14.336 -6.022 1.00 0.00 O ATOM 409 NE2 GLN A 25 3.860 -16.489 -5.896 1.00 0.00 N ATOM 0 H GLN A 25 4.372 -12.430 -2.093 1.00 0.00 H new ATOM 0 HA GLN A 25 3.981 -15.084 -1.436 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.809 -13.534 -3.749 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.697 -15.043 -3.673 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.567 -16.311 -3.452 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.657 -14.814 -3.456 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.111 -17.270 -5.289 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.866 -16.608 -6.909 1.00 0.00 H new ATOM 418 N GLU A 26 7.130 -14.155 -1.278 1.00 0.00 N ATOM 419 CA GLU A 26 8.438 -14.532 -0.769 1.00 0.00 C ATOM 420 C GLU A 26 8.414 -14.597 0.759 1.00 0.00 C ATOM 421 O GLU A 26 9.387 -15.022 1.381 1.00 0.00 O ATOM 422 CB GLU A 26 9.516 -13.564 -1.260 1.00 0.00 C ATOM 423 CG GLU A 26 10.835 -14.297 -1.517 1.00 0.00 C ATOM 424 CD GLU A 26 11.821 -14.070 -0.369 1.00 0.00 C ATOM 425 OE1 GLU A 26 12.196 -12.895 -0.168 1.00 0.00 O ATOM 426 OE2 GLU A 26 12.176 -15.077 0.280 1.00 0.00 O ATOM 0 H GLU A 26 7.078 -13.212 -1.663 1.00 0.00 H new ATOM 0 HA GLU A 26 8.684 -15.523 -1.151 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.182 -13.076 -2.176 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.670 -12.779 -0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.646 -15.364 -1.633 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.273 -13.948 -2.452 1.00 0.00 H new ATOM 433 N ASN A 27 7.293 -14.170 1.320 1.00 0.00 N ATOM 434 CA ASN A 27 7.130 -14.174 2.764 1.00 0.00 C ATOM 435 C ASN A 27 5.949 -15.073 3.137 1.00 0.00 C ATOM 436 O ASN A 27 5.579 -15.165 4.307 1.00 0.00 O ATOM 437 CB ASN A 27 6.837 -12.768 3.290 1.00 0.00 C ATOM 438 CG ASN A 27 8.131 -11.973 3.479 1.00 0.00 C ATOM 439 OD1 ASN A 27 8.832 -12.104 4.469 1.00 0.00 O ATOM 440 ND2 ASN A 27 8.407 -11.143 2.477 1.00 0.00 N ATOM 0 H ASN A 27 6.488 -13.819 0.801 1.00 0.00 H new ATOM 0 HA ASN A 27 8.057 -14.538 3.206 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.183 -12.244 2.593 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.305 -12.834 4.239 1.00 0.00 H new ATOM 0 HD21 ASN A 27 9.249 -10.567 2.509 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.777 -11.082 1.677 1.00 0.00 H new ATOM 447 N ASN A 28 5.391 -15.714 2.121 1.00 0.00 N ATOM 448 CA ASN A 28 4.260 -16.603 2.327 1.00 0.00 C ATOM 449 C ASN A 28 3.191 -15.879 3.148 1.00 0.00 C ATOM 450 O ASN A 28 2.598 -16.462 4.055 1.00 0.00 O ATOM 451 CB ASN A 28 4.678 -17.857 3.097 1.00 0.00 C ATOM 452 CG ASN A 28 3.616 -18.952 2.980 1.00 0.00 C ATOM 453 OD1 ASN A 28 3.209 -19.345 1.899 1.00 0.00 O ATOM 454 ND2 ASN A 28 3.192 -19.422 4.150 1.00 0.00 N ATOM 0 H ASN A 28 5.701 -15.636 1.152 1.00 0.00 H new ATOM 0 HA ASN A 28 3.876 -16.892 1.349 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.629 -18.225 2.711 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.835 -17.608 4.147 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.484 -20.156 4.179 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.575 -19.049 5.019 1.00 0.00 H new ATOM 461 N ILE A 29 2.977 -14.618 2.801 1.00 0.00 N ATOM 462 CA ILE A 29 1.989 -13.808 3.494 1.00 0.00 C ATOM 463 C ILE A 29 0.701 -13.767 2.671 1.00 0.00 C ATOM 464 O ILE A 29 0.745 -13.656 1.447 1.00 0.00 O ATOM 465 CB ILE A 29 2.560 -12.425 3.813 1.00 0.00 C ATOM 466 CG1 ILE A 29 3.661 -12.517 4.872 1.00 0.00 C ATOM 467 CG2 ILE A 29 1.450 -11.455 4.223 1.00 0.00 C ATOM 468 CD1 ILE A 29 4.350 -11.164 5.064 1.00 0.00 C ATOM 0 H ILE A 29 3.471 -14.137 2.049 1.00 0.00 H new ATOM 0 HA ILE A 29 1.738 -14.254 4.456 1.00 0.00 H new ATOM 0 HB ILE A 29 3.017 -12.027 2.907 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.234 -12.849 5.818 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.396 -13.265 4.574 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.883 -10.479 4.444 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.733 -11.357 3.408 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.943 -11.836 5.109 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.128 -11.256 5.822 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.797 -10.846 4.122 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.617 -10.425 5.385 1.00 0.00 H new ATOM 480 N GLU A 30 -0.418 -13.859 3.376 1.00 0.00 N ATOM 481 CA GLU A 30 -1.717 -13.834 2.726 1.00 0.00 C ATOM 482 C GLU A 30 -2.473 -12.558 3.100 1.00 0.00 C ATOM 483 O GLU A 30 -3.627 -12.380 2.714 1.00 0.00 O ATOM 484 CB GLU A 30 -2.532 -15.079 3.081 1.00 0.00 C ATOM 485 CG GLU A 30 -2.904 -15.868 1.824 1.00 0.00 C ATOM 486 CD GLU A 30 -3.406 -17.268 2.185 1.00 0.00 C ATOM 487 OE1 GLU A 30 -2.578 -18.055 2.691 1.00 0.00 O ATOM 488 OE2 GLU A 30 -4.607 -17.518 1.946 1.00 0.00 O ATOM 0 H GLU A 30 -0.451 -13.951 4.391 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.562 -13.838 1.647 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.958 -15.713 3.756 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.438 -14.786 3.612 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.675 -15.333 1.269 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.036 -15.946 1.169 1.00 0.00 H new ATOM 495 N ASN A 31 -1.791 -11.701 3.847 1.00 0.00 N ATOM 496 CA ASN A 31 -2.384 -10.447 4.277 1.00 0.00 C ATOM 497 C ASN A 31 -1.281 -9.403 4.460 1.00 0.00 C ATOM 498 O ASN A 31 -1.033 -8.945 5.574 1.00 0.00 O ATOM 499 CB ASN A 31 -3.107 -10.610 5.616 1.00 0.00 C ATOM 500 CG ASN A 31 -4.275 -9.628 5.731 1.00 0.00 C ATOM 501 OD1 ASN A 31 -4.113 -8.421 5.666 1.00 0.00 O ATOM 502 ND2 ASN A 31 -5.457 -10.212 5.906 1.00 0.00 N ATOM 0 H ASN A 31 -0.834 -11.851 4.165 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.099 -10.134 3.516 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.475 -11.631 5.713 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.406 -10.445 6.434 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.299 -9.643 5.995 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.522 -11.229 5.951 1.00 0.00 H new ATOM 509 N PRO A 32 -0.631 -9.047 3.319 1.00 0.00 N ATOM 510 CA PRO A 32 0.440 -8.065 3.343 1.00 0.00 C ATOM 511 C PRO A 32 -0.118 -6.650 3.508 1.00 0.00 C ATOM 512 O PRO A 32 -0.839 -6.158 2.641 1.00 0.00 O ATOM 513 CB PRO A 32 1.183 -8.262 2.032 1.00 0.00 C ATOM 514 CG PRO A 32 0.230 -9.021 1.122 1.00 0.00 C ATOM 515 CD PRO A 32 -0.898 -9.568 1.982 1.00 0.00 C ATOM 0 HA PRO A 32 1.113 -8.196 4.190 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.462 -7.304 1.593 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.105 -8.822 2.186 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.165 -8.363 0.348 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.751 -9.833 0.615 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -1.870 -9.239 1.616 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.907 -10.658 1.976 1.00 0.00 H new ATOM 523 N ILE A 33 0.238 -6.035 4.626 1.00 0.00 N ATOM 524 CA ILE A 33 -0.217 -4.686 4.915 1.00 0.00 C ATOM 525 C ILE A 33 0.942 -3.707 4.716 1.00 0.00 C ATOM 526 O ILE A 33 1.751 -3.506 5.620 1.00 0.00 O ATOM 527 CB ILE A 33 -0.846 -4.620 6.309 1.00 0.00 C ATOM 528 CG1 ILE A 33 -2.102 -5.490 6.386 1.00 0.00 C ATOM 529 CG2 ILE A 33 -1.125 -3.172 6.716 1.00 0.00 C ATOM 530 CD1 ILE A 33 -2.452 -5.820 7.838 1.00 0.00 C ATOM 0 H ILE A 33 0.836 -6.446 5.343 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.004 -4.393 4.221 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.131 -5.024 7.026 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.937 -4.971 5.916 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.944 -6.413 5.827 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.572 -3.153 7.710 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.191 -2.611 6.727 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.812 -2.719 6.001 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.349 -6.439 7.864 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.624 -6.360 8.298 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.633 -4.896 8.388 1.00 0.00 H new ATOM 542 N LEU A 34 0.984 -3.124 3.527 1.00 0.00 N ATOM 543 CA LEU A 34 2.030 -2.171 3.198 1.00 0.00 C ATOM 544 C LEU A 34 1.550 -0.757 3.532 1.00 0.00 C ATOM 545 O LEU A 34 0.385 -0.427 3.319 1.00 0.00 O ATOM 546 CB LEU A 34 2.473 -2.343 1.744 1.00 0.00 C ATOM 547 CG LEU A 34 3.292 -3.599 1.436 1.00 0.00 C ATOM 548 CD1 LEU A 34 4.626 -3.581 2.185 1.00 0.00 C ATOM 549 CD2 LEU A 34 2.485 -4.865 1.731 1.00 0.00 C ATOM 0 H LEU A 34 0.311 -3.293 2.780 1.00 0.00 H new ATOM 0 HA LEU A 34 2.918 -2.357 3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.585 -2.349 1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.061 -1.471 1.459 1.00 0.00 H new ATOM 0 HG LEU A 34 3.522 -3.605 0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.188 -4.484 1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.201 -2.706 1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.440 -3.540 3.258 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.090 -5.743 1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.204 -4.880 2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.585 -4.875 1.116 1.00 0.00 H new ATOM 561 N ARG A 35 2.473 0.040 4.050 1.00 0.00 N ATOM 562 CA ARG A 35 2.158 1.411 4.415 1.00 0.00 C ATOM 563 C ARG A 35 2.808 2.385 3.430 1.00 0.00 C ATOM 564 O ARG A 35 3.910 2.137 2.942 1.00 0.00 O ATOM 565 CB ARG A 35 2.643 1.729 5.831 1.00 0.00 C ATOM 566 CG ARG A 35 4.162 1.915 5.861 1.00 0.00 C ATOM 567 CD ARG A 35 4.701 1.783 7.287 1.00 0.00 C ATOM 568 NE ARG A 35 6.094 2.280 7.349 1.00 0.00 N ATOM 569 CZ ARG A 35 7.148 1.627 6.839 1.00 0.00 C ATOM 570 NH1 ARG A 35 6.973 0.447 6.227 1.00 0.00 N ATOM 571 NH2 ARG A 35 8.376 2.153 6.941 1.00 0.00 N ATOM 0 H ARG A 35 3.439 -0.237 4.226 1.00 0.00 H new ATOM 0 HA ARG A 35 1.074 1.523 4.380 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.155 2.634 6.192 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.358 0.922 6.507 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.636 1.173 5.219 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.420 2.895 5.460 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.073 2.348 7.976 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.663 0.741 7.604 1.00 0.00 H new ATOM 0 HE ARG A 35 6.262 3.175 7.808 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.038 0.046 6.150 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.775 -0.050 5.839 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.509 3.051 7.407 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.178 1.656 6.553 1.00 0.00 H new ATOM 585 N ILE A 36 2.098 3.472 3.167 1.00 0.00 N ATOM 586 CA ILE A 36 2.592 4.485 2.249 1.00 0.00 C ATOM 587 C ILE A 36 3.086 5.693 3.047 1.00 0.00 C ATOM 588 O ILE A 36 2.307 6.343 3.743 1.00 0.00 O ATOM 589 CB ILE A 36 1.525 4.830 1.208 1.00 0.00 C ATOM 590 CG1 ILE A 36 1.664 3.946 -0.033 1.00 0.00 C ATOM 591 CG2 ILE A 36 1.561 6.319 0.859 1.00 0.00 C ATOM 592 CD1 ILE A 36 1.760 2.469 0.353 1.00 0.00 C ATOM 0 H ILE A 36 1.184 3.674 3.573 1.00 0.00 H new ATOM 0 HA ILE A 36 3.444 4.105 1.685 1.00 0.00 H new ATOM 0 HB ILE A 36 0.546 4.625 1.641 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.808 4.099 -0.690 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.552 4.237 -0.594 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.793 6.538 0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.376 6.908 1.757 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.540 6.574 0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.858 1.863 -0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.631 2.315 0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.860 2.175 0.892 1.00 0.00 H new ATOM 604 N ARG A 37 4.378 5.957 2.920 1.00 0.00 N ATOM 605 CA ARG A 37 4.985 7.076 3.621 1.00 0.00 C ATOM 606 C ARG A 37 6.064 7.725 2.751 1.00 0.00 C ATOM 607 O ARG A 37 6.441 7.180 1.714 1.00 0.00 O ATOM 608 CB ARG A 37 5.609 6.624 4.943 1.00 0.00 C ATOM 609 CG ARG A 37 5.006 7.388 6.123 1.00 0.00 C ATOM 610 CD ARG A 37 5.941 7.355 7.334 1.00 0.00 C ATOM 611 NE ARG A 37 5.490 6.324 8.294 1.00 0.00 N ATOM 612 CZ ARG A 37 5.904 6.251 9.567 1.00 0.00 C ATOM 613 NH1 ARG A 37 6.780 7.148 10.039 1.00 0.00 N ATOM 614 NH2 ARG A 37 5.441 5.281 10.367 1.00 0.00 N ATOM 0 H ARG A 37 5.021 5.416 2.342 1.00 0.00 H new ATOM 0 HA ARG A 37 4.199 7.801 3.832 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.449 5.554 5.078 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.687 6.784 4.914 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.817 8.422 5.833 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.044 6.951 6.390 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.960 7.142 7.011 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.957 8.332 7.818 1.00 0.00 H new ATOM 0 HE ARG A 37 4.823 5.625 7.967 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.132 7.887 9.430 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.095 7.092 11.008 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.774 4.598 10.007 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.756 5.225 11.336 1.00 0.00 H new ATOM 628 N VAL A 38 6.530 8.879 3.205 1.00 0.00 N ATOM 629 CA VAL A 38 7.557 9.608 2.481 1.00 0.00 C ATOM 630 C VAL A 38 8.923 8.987 2.780 1.00 0.00 C ATOM 631 O VAL A 38 9.152 8.479 3.877 1.00 0.00 O ATOM 632 CB VAL A 38 7.487 11.096 2.829 1.00 0.00 C ATOM 633 CG1 VAL A 38 8.438 11.910 1.949 1.00 0.00 C ATOM 634 CG2 VAL A 38 6.054 11.618 2.717 1.00 0.00 C ATOM 0 H VAL A 38 6.215 9.327 4.065 1.00 0.00 H new ATOM 0 HA VAL A 38 7.394 9.532 1.406 1.00 0.00 H new ATOM 0 HB VAL A 38 7.806 11.214 3.865 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.369 12.964 2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.460 11.563 2.101 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.163 11.783 0.902 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.032 12.678 2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.695 11.481 1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.412 11.068 3.405 1.00 0.00 H new ATOM 644 N VAL A 39 9.796 9.049 1.785 1.00 0.00 N ATOM 645 CA VAL A 39 11.134 8.499 1.928 1.00 0.00 C ATOM 646 C VAL A 39 12.147 9.644 1.989 1.00 0.00 C ATOM 647 O VAL A 39 12.513 10.209 0.959 1.00 0.00 O ATOM 648 CB VAL A 39 11.417 7.509 0.797 1.00 0.00 C ATOM 649 CG1 VAL A 39 12.825 6.924 0.919 1.00 0.00 C ATOM 650 CG2 VAL A 39 10.363 6.400 0.763 1.00 0.00 C ATOM 0 H VAL A 39 9.603 9.471 0.877 1.00 0.00 H new ATOM 0 HA VAL A 39 11.220 7.939 2.859 1.00 0.00 H new ATOM 0 HB VAL A 39 11.362 8.053 -0.146 1.00 0.00 H new ATOM 0 HG11 VAL A 39 13.000 6.223 0.103 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.559 7.729 0.870 1.00 0.00 H new ATOM 0 HG13 VAL A 39 12.921 6.403 1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.587 5.710 -0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 39 10.372 5.860 1.710 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.378 6.839 0.605 1.00 0.00 H new ATOM 660 N PRO A 40 12.584 9.960 3.237 1.00 0.00 N ATOM 661 CA PRO A 40 13.547 11.028 3.445 1.00 0.00 C ATOM 662 C PRO A 40 14.952 10.587 3.028 1.00 0.00 C ATOM 663 O PRO A 40 15.871 10.576 3.846 1.00 0.00 O ATOM 664 CB PRO A 40 13.446 11.367 4.923 1.00 0.00 C ATOM 665 CG PRO A 40 12.772 10.173 5.580 1.00 0.00 C ATOM 666 CD PRO A 40 12.172 9.313 4.480 1.00 0.00 C ATOM 0 HA PRO A 40 13.340 11.906 2.834 1.00 0.00 H new ATOM 0 HB2 PRO A 40 14.433 11.543 5.352 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.865 12.276 5.076 1.00 0.00 H new ATOM 0 HG2 PRO A 40 13.494 9.600 6.162 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.997 10.505 6.271 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.540 8.288 4.534 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.086 9.267 4.561 1.00 0.00 H new ATOM 737 N GLN A 47 10.334 9.721 -3.777 1.00 0.00 N ATOM 738 CA GLN A 47 9.290 8.736 -4.003 1.00 0.00 C ATOM 739 C GLN A 47 9.027 7.939 -2.724 1.00 0.00 C ATOM 740 O GLN A 47 9.942 7.701 -1.938 1.00 0.00 O ATOM 741 CB GLN A 47 9.652 7.808 -5.164 1.00 0.00 C ATOM 742 CG GLN A 47 11.137 7.439 -5.127 1.00 0.00 C ATOM 743 CD GLN A 47 11.998 8.575 -5.683 1.00 0.00 C ATOM 744 OE1 GLN A 47 11.845 9.009 -6.813 1.00 0.00 O ATOM 745 NE2 GLN A 47 12.909 9.031 -4.828 1.00 0.00 N ATOM 0 HA GLN A 47 8.375 9.262 -4.275 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.047 6.903 -5.113 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.418 8.295 -6.111 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.436 7.220 -4.102 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.305 6.533 -5.709 1.00 0.00 H new ATOM 0 HE21 GLN A 47 12.984 8.622 -3.896 1.00 0.00 H new ATOM 0 HE22 GLN A 47 13.533 9.789 -5.104 1.00 0.00 H new ATOM 754 N TYR A 48 7.772 7.547 -2.556 1.00 0.00 N ATOM 755 CA TYR A 48 7.378 6.781 -1.386 1.00 0.00 C ATOM 756 C TYR A 48 7.766 5.309 -1.538 1.00 0.00 C ATOM 757 O TYR A 48 7.782 4.779 -2.648 1.00 0.00 O ATOM 758 CB TYR A 48 5.854 6.889 -1.305 1.00 0.00 C ATOM 759 CG TYR A 48 5.353 8.224 -0.749 1.00 0.00 C ATOM 760 CD1 TYR A 48 5.702 9.405 -1.372 1.00 0.00 C ATOM 761 CD2 TYR A 48 4.554 8.246 0.375 1.00 0.00 C ATOM 762 CE1 TYR A 48 5.230 10.661 -0.849 1.00 0.00 C ATOM 763 CE2 TYR A 48 4.082 9.502 0.899 1.00 0.00 C ATOM 764 CZ TYR A 48 4.444 10.648 0.261 1.00 0.00 C ATOM 765 OH TYR A 48 3.999 11.834 0.755 1.00 0.00 O ATOM 0 H TYR A 48 7.015 7.746 -3.211 1.00 0.00 H new ATOM 0 HA TYR A 48 7.872 7.163 -0.493 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.436 6.742 -2.301 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.476 6.081 -0.678 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.329 9.387 -2.251 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.282 7.321 0.862 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.494 11.592 -1.327 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.455 9.533 1.778 1.00 0.00 H new ATOM 0 HH TYR A 48 4.485 12.570 0.327 1.00 0.00 H new ATOM 775 N ALA A 49 8.068 4.690 -0.407 1.00 0.00 N ATOM 776 CA ALA A 49 8.455 3.289 -0.400 1.00 0.00 C ATOM 777 C ALA A 49 7.538 2.516 0.550 1.00 0.00 C ATOM 778 O ALA A 49 7.065 3.064 1.544 1.00 0.00 O ATOM 779 CB ALA A 49 9.930 3.168 -0.014 1.00 0.00 C ATOM 0 H ALA A 49 8.053 5.133 0.512 1.00 0.00 H new ATOM 0 HA ALA A 49 8.342 2.855 -1.393 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.220 2.117 -0.009 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.541 3.709 -0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.082 3.591 0.979 1.00 0.00 H new ATOM 785 N MET A 50 7.315 1.255 0.211 1.00 0.00 N ATOM 786 CA MET A 50 6.464 0.401 1.021 1.00 0.00 C ATOM 787 C MET A 50 7.300 -0.558 1.872 1.00 0.00 C ATOM 788 O MET A 50 8.508 -0.677 1.674 1.00 0.00 O ATOM 789 CB MET A 50 5.533 -0.403 0.112 1.00 0.00 C ATOM 790 CG MET A 50 6.330 -1.337 -0.801 1.00 0.00 C ATOM 791 SD MET A 50 5.752 -1.185 -2.483 1.00 0.00 S ATOM 792 CE MET A 50 5.657 -2.909 -2.935 1.00 0.00 C ATOM 0 H MET A 50 7.709 0.804 -0.614 1.00 0.00 H new ATOM 0 HA MET A 50 5.878 1.033 1.688 1.00 0.00 H new ATOM 0 HB2 MET A 50 4.840 -0.986 0.719 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.933 0.277 -0.492 1.00 0.00 H new ATOM 0 HG2 MET A 50 7.391 -1.092 -0.749 1.00 0.00 H new ATOM 0 HG3 MET A 50 6.224 -2.368 -0.463 1.00 0.00 H new ATOM 0 HE1 MET A 50 4.983 -3.026 -3.783 1.00 0.00 H new ATOM 0 HE2 MET A 50 6.649 -3.269 -3.207 1.00 0.00 H new ATOM 0 HE3 MET A 50 5.281 -3.486 -2.090 1.00 0.00 H new ATOM 802 N GLY A 51 6.623 -1.217 2.802 1.00 0.00 N ATOM 803 CA GLY A 51 7.288 -2.161 3.683 1.00 0.00 C ATOM 804 C GLY A 51 6.304 -2.758 4.691 1.00 0.00 C ATOM 805 O GLY A 51 5.683 -2.029 5.464 1.00 0.00 O ATOM 0 H GLY A 51 5.621 -1.115 2.964 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.739 -2.959 3.093 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.098 -1.660 4.213 1.00 0.00 H new ATOM 809 N PHE A 52 6.191 -4.077 4.649 1.00 0.00 N ATOM 810 CA PHE A 52 5.292 -4.780 5.549 1.00 0.00 C ATOM 811 C PHE A 52 5.790 -4.702 6.993 1.00 0.00 C ATOM 812 O PHE A 52 6.871 -5.197 7.309 1.00 0.00 O ATOM 813 CB PHE A 52 5.273 -6.245 5.107 1.00 0.00 C ATOM 814 CG PHE A 52 6.663 -6.847 4.889 1.00 0.00 C ATOM 815 CD1 PHE A 52 7.350 -7.370 5.940 1.00 0.00 C ATOM 816 CD2 PHE A 52 7.210 -6.861 3.644 1.00 0.00 C ATOM 817 CE1 PHE A 52 8.640 -7.928 5.737 1.00 0.00 C ATOM 818 CE2 PHE A 52 8.500 -7.419 3.441 1.00 0.00 C ATOM 819 CZ PHE A 52 9.187 -7.942 4.492 1.00 0.00 C ATOM 0 H PHE A 52 6.707 -4.678 4.006 1.00 0.00 H new ATOM 0 HA PHE A 52 4.300 -4.330 5.511 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.747 -6.834 5.858 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.703 -6.327 4.181 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.915 -7.361 6.928 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.663 -6.448 2.809 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.187 -8.341 6.572 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.935 -7.428 2.453 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.167 -8.369 4.338 1.00 0.00 H new ATOM 829 N ASP A 53 4.978 -4.075 7.832 1.00 0.00 N ATOM 830 CA ASP A 53 5.323 -3.925 9.236 1.00 0.00 C ATOM 831 C ASP A 53 4.532 -4.942 10.062 1.00 0.00 C ATOM 832 O ASP A 53 3.685 -5.657 9.528 1.00 0.00 O ATOM 833 CB ASP A 53 4.969 -2.526 9.743 1.00 0.00 C ATOM 834 CG ASP A 53 6.111 -1.784 10.442 1.00 0.00 C ATOM 835 OD1 ASP A 53 6.497 -2.241 11.539 1.00 0.00 O ATOM 836 OD2 ASP A 53 6.571 -0.777 9.862 1.00 0.00 O ATOM 0 H ASP A 53 4.082 -3.665 7.567 1.00 0.00 H new ATOM 0 HA ASP A 53 6.396 -4.085 9.339 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.628 -1.926 8.900 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.131 -2.608 10.435 1.00 0.00 H new ATOM 841 N ASP A 54 4.836 -4.973 11.351 1.00 0.00 N ATOM 842 CA ASP A 54 4.164 -5.890 12.256 1.00 0.00 C ATOM 843 C ASP A 54 2.656 -5.834 12.005 1.00 0.00 C ATOM 844 O ASP A 54 2.018 -6.866 11.802 1.00 0.00 O ATOM 845 CB ASP A 54 4.415 -5.506 13.716 1.00 0.00 C ATOM 846 CG ASP A 54 5.462 -6.357 14.437 1.00 0.00 C ATOM 847 OD1 ASP A 54 5.203 -7.571 14.585 1.00 0.00 O ATOM 848 OD2 ASP A 54 6.497 -5.774 14.825 1.00 0.00 O ATOM 0 H ASP A 54 5.538 -4.378 11.790 1.00 0.00 H new ATOM 0 HA ASP A 54 4.555 -6.891 12.074 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.728 -4.463 13.753 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.474 -5.576 14.261 1.00 0.00 H new ATOM 853 N THR A 55 2.129 -4.618 12.027 1.00 0.00 N ATOM 854 CA THR A 55 0.708 -4.414 11.804 1.00 0.00 C ATOM 855 C THR A 55 0.420 -2.940 11.513 1.00 0.00 C ATOM 856 O THR A 55 1.339 -2.125 11.452 1.00 0.00 O ATOM 857 CB THR A 55 -0.044 -4.951 13.024 1.00 0.00 C ATOM 858 OG1 THR A 55 -1.339 -5.267 12.521 1.00 0.00 O ATOM 859 CG2 THR A 55 -0.305 -3.870 14.074 1.00 0.00 C ATOM 0 H THR A 55 2.661 -3.764 12.196 1.00 0.00 H new ATOM 0 HA THR A 55 0.363 -4.959 10.926 1.00 0.00 H new ATOM 0 HB THR A 55 0.527 -5.763 13.474 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.893 -5.624 13.246 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.841 -4.304 14.918 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.645 -3.461 14.419 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.905 -3.073 13.634 1.00 0.00 H new ATOM 867 N VAL A 56 -0.860 -2.643 11.343 1.00 0.00 N ATOM 868 CA VAL A 56 -1.280 -1.281 11.060 1.00 0.00 C ATOM 869 C VAL A 56 -1.249 -0.463 12.353 1.00 0.00 C ATOM 870 O VAL A 56 -1.334 -1.020 13.446 1.00 0.00 O ATOM 871 CB VAL A 56 -2.656 -1.286 10.390 1.00 0.00 C ATOM 872 CG1 VAL A 56 -3.755 -1.629 11.397 1.00 0.00 C ATOM 873 CG2 VAL A 56 -2.938 0.053 9.705 1.00 0.00 C ATOM 0 H VAL A 56 -1.620 -3.322 11.396 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.593 -0.808 10.359 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.652 -2.060 9.623 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.722 -1.626 10.895 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.568 -2.617 11.817 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.759 -0.889 12.197 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.922 0.022 9.237 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.913 0.853 10.445 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.180 0.239 8.944 1.00 0.00 H new ATOM 883 N GLU A 57 -1.126 0.845 12.185 1.00 0.00 N ATOM 884 CA GLU A 57 -1.081 1.745 13.325 1.00 0.00 C ATOM 885 C GLU A 57 -2.466 1.857 13.967 1.00 0.00 C ATOM 886 O GLU A 57 -3.450 1.366 13.417 1.00 0.00 O ATOM 887 CB GLU A 57 -0.554 3.122 12.916 1.00 0.00 C ATOM 888 CG GLU A 57 0.692 2.994 12.038 1.00 0.00 C ATOM 889 CD GLU A 57 1.281 4.369 11.717 1.00 0.00 C ATOM 890 OE1 GLU A 57 1.217 5.237 12.614 1.00 0.00 O ATOM 891 OE2 GLU A 57 1.781 4.521 10.582 1.00 0.00 O ATOM 0 H GLU A 57 -1.056 1.304 11.277 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.392 1.333 14.062 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.329 3.666 12.376 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.317 3.704 13.807 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.439 2.385 12.547 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.437 2.479 11.112 1.00 0.00 H new ATOM 898 N GLU A 58 -2.496 2.504 15.122 1.00 0.00 N ATOM 899 CA GLU A 58 -3.743 2.686 15.845 1.00 0.00 C ATOM 900 C GLU A 58 -4.508 3.890 15.291 1.00 0.00 C ATOM 901 O GLU A 58 -5.391 4.429 15.956 1.00 0.00 O ATOM 902 CB GLU A 58 -3.489 2.842 17.346 1.00 0.00 C ATOM 903 CG GLU A 58 -4.565 2.123 18.162 1.00 0.00 C ATOM 904 CD GLU A 58 -4.303 2.267 19.663 1.00 0.00 C ATOM 905 OE1 GLU A 58 -4.146 3.426 20.103 1.00 0.00 O ATOM 906 OE2 GLU A 58 -4.266 1.214 20.336 1.00 0.00 O ATOM 0 H GLU A 58 -1.677 2.909 15.575 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.355 1.795 15.704 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.508 2.439 17.596 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.475 3.900 17.608 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.545 2.533 17.919 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.586 1.067 17.893 1.00 0.00 H new ATOM 913 N GLY A 59 -4.140 4.277 14.078 1.00 0.00 N ATOM 914 CA GLY A 59 -4.780 5.407 13.427 1.00 0.00 C ATOM 915 C GLY A 59 -4.223 5.615 12.017 1.00 0.00 C ATOM 916 O GLY A 59 -3.723 6.692 11.696 1.00 0.00 O ATOM 0 H GLY A 59 -3.407 3.828 13.529 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.856 5.240 13.376 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.625 6.308 14.020 1.00 0.00 H new ATOM 920 N ASP A 60 -4.328 4.566 11.214 1.00 0.00 N ATOM 921 CA ASP A 60 -3.841 4.620 9.846 1.00 0.00 C ATOM 922 C ASP A 60 -5.023 4.491 8.883 1.00 0.00 C ATOM 923 O ASP A 60 -6.117 4.099 9.286 1.00 0.00 O ATOM 924 CB ASP A 60 -2.871 3.472 9.560 1.00 0.00 C ATOM 925 CG ASP A 60 -1.634 3.858 8.747 1.00 0.00 C ATOM 926 OD1 ASP A 60 -1.806 4.099 7.533 1.00 0.00 O ATOM 927 OD2 ASP A 60 -0.545 3.902 9.358 1.00 0.00 O ATOM 0 H ASP A 60 -4.743 3.674 11.484 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.325 5.570 9.710 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.545 3.047 10.509 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.408 2.687 9.027 1.00 0.00 H new ATOM 932 N HIS A 61 -4.763 4.828 7.628 1.00 0.00 N ATOM 933 CA HIS A 61 -5.792 4.754 6.604 1.00 0.00 C ATOM 934 C HIS A 61 -5.999 3.296 6.189 1.00 0.00 C ATOM 935 O HIS A 61 -5.243 2.765 5.378 1.00 0.00 O ATOM 936 CB HIS A 61 -5.449 5.664 5.423 1.00 0.00 C ATOM 937 CG HIS A 61 -6.377 5.513 4.242 1.00 0.00 C ATOM 938 ND1 HIS A 61 -7.509 4.717 4.275 1.00 0.00 N ATOM 939 CD2 HIS A 61 -6.329 6.063 2.995 1.00 0.00 C ATOM 940 CE1 HIS A 61 -8.108 4.793 3.095 1.00 0.00 C ATOM 941 NE2 HIS A 61 -7.375 5.626 2.303 1.00 0.00 N ATOM 0 H HIS A 61 -3.855 5.153 7.297 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.737 5.119 7.006 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.470 6.701 5.758 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.429 5.454 5.100 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.569 6.739 2.632 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -9.017 4.284 2.811 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.594 5.873 1.338 1.00 0.00 H new ATOM 949 N VAL A 62 -7.028 2.692 6.765 1.00 0.00 N ATOM 950 CA VAL A 62 -7.345 1.305 6.465 1.00 0.00 C ATOM 951 C VAL A 62 -8.029 1.227 5.098 1.00 0.00 C ATOM 952 O VAL A 62 -9.222 1.502 4.981 1.00 0.00 O ATOM 953 CB VAL A 62 -8.189 0.706 7.591 1.00 0.00 C ATOM 954 CG1 VAL A 62 -9.505 0.144 7.050 1.00 0.00 C ATOM 955 CG2 VAL A 62 -7.406 -0.366 8.352 1.00 0.00 C ATOM 0 H VAL A 62 -7.653 3.137 7.437 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.434 0.709 6.407 1.00 0.00 H new ATOM 0 HB VAL A 62 -8.429 1.506 8.292 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.086 -0.276 7.871 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -10.074 0.943 6.574 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -9.294 -0.636 6.319 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.029 -0.776 9.147 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.121 -1.164 7.666 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.509 0.077 8.785 1.00 0.00 H new ATOM 965 N PHE A 63 -7.243 0.851 4.100 1.00 0.00 N ATOM 966 CA PHE A 63 -7.758 0.733 2.746 1.00 0.00 C ATOM 967 C PHE A 63 -7.665 -0.710 2.248 1.00 0.00 C ATOM 968 O PHE A 63 -6.570 -1.226 2.028 1.00 0.00 O ATOM 969 CB PHE A 63 -6.888 1.624 1.857 1.00 0.00 C ATOM 970 CG PHE A 63 -7.682 2.513 0.898 1.00 0.00 C ATOM 971 CD1 PHE A 63 -8.906 2.114 0.458 1.00 0.00 C ATOM 972 CD2 PHE A 63 -7.166 3.702 0.487 1.00 0.00 C ATOM 973 CE1 PHE A 63 -9.643 2.939 -0.432 1.00 0.00 C ATOM 974 CE2 PHE A 63 -7.904 4.527 -0.402 1.00 0.00 C ATOM 975 CZ PHE A 63 -9.127 4.128 -0.843 1.00 0.00 C ATOM 0 H PHE A 63 -6.254 0.624 4.202 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.806 1.031 2.719 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.267 2.256 2.491 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.214 0.993 1.277 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -9.317 1.170 0.785 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.195 4.019 0.837 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -10.614 2.622 -0.783 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.494 5.472 -0.728 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.688 4.755 -1.520 1.00 0.00 H new ATOM 985 N GLU A 64 -8.829 -1.322 2.084 1.00 0.00 N ATOM 986 CA GLU A 64 -8.893 -2.696 1.616 1.00 0.00 C ATOM 987 C GLU A 64 -8.705 -2.749 0.098 1.00 0.00 C ATOM 988 O GLU A 64 -9.412 -2.068 -0.643 1.00 0.00 O ATOM 989 CB GLU A 64 -10.211 -3.355 2.028 1.00 0.00 C ATOM 990 CG GLU A 64 -10.364 -3.370 3.550 1.00 0.00 C ATOM 991 CD GLU A 64 -11.579 -4.199 3.971 1.00 0.00 C ATOM 992 OE1 GLU A 64 -11.607 -5.392 3.601 1.00 0.00 O ATOM 993 OE2 GLU A 64 -12.452 -3.620 4.654 1.00 0.00 O ATOM 0 H GLU A 64 -9.735 -0.891 2.267 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.083 -3.256 2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.046 -2.817 1.580 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.247 -4.375 1.645 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.463 -3.781 4.006 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.470 -2.350 3.918 1.00 0.00 H new ATOM 1000 N TYR A 65 -7.748 -3.564 -0.319 1.00 0.00 N ATOM 1001 CA TYR A 65 -7.457 -3.715 -1.735 1.00 0.00 C ATOM 1002 C TYR A 65 -7.829 -5.116 -2.225 1.00 0.00 C ATOM 1003 O TYR A 65 -8.567 -5.836 -1.555 1.00 0.00 O ATOM 1004 CB TYR A 65 -5.946 -3.522 -1.879 1.00 0.00 C ATOM 1005 CG TYR A 65 -5.534 -2.098 -2.259 1.00 0.00 C ATOM 1006 CD1 TYR A 65 -5.784 -1.625 -3.532 1.00 0.00 C ATOM 1007 CD2 TYR A 65 -4.914 -1.288 -1.331 1.00 0.00 C ATOM 1008 CE1 TYR A 65 -5.396 -0.285 -3.890 1.00 0.00 C ATOM 1009 CE2 TYR A 65 -4.526 0.052 -1.689 1.00 0.00 C ATOM 1010 CZ TYR A 65 -4.786 0.487 -2.951 1.00 0.00 C ATOM 1011 OH TYR A 65 -4.420 1.753 -3.289 1.00 0.00 O ATOM 0 H TYR A 65 -7.164 -4.127 0.299 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.028 -2.996 -2.322 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.465 -3.790 -0.938 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.572 -4.212 -2.636 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.270 -2.259 -4.259 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.719 -1.659 -0.335 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.585 0.098 -4.882 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.040 0.697 -0.972 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.997 2.188 -2.519 1.00 0.00 H new ATOM 1021 N ASP A 66 -7.301 -5.460 -3.390 1.00 0.00 N ATOM 1022 CA ASP A 66 -7.568 -6.762 -3.978 1.00 0.00 C ATOM 1023 C ASP A 66 -6.985 -7.852 -3.077 1.00 0.00 C ATOM 1024 O ASP A 66 -6.000 -8.497 -3.434 1.00 0.00 O ATOM 1025 CB ASP A 66 -6.916 -6.889 -5.356 1.00 0.00 C ATOM 1026 CG ASP A 66 -7.556 -7.925 -6.281 1.00 0.00 C ATOM 1027 OD1 ASP A 66 -8.240 -8.822 -5.742 1.00 0.00 O ATOM 1028 OD2 ASP A 66 -7.347 -7.798 -7.507 1.00 0.00 O ATOM 0 H ASP A 66 -6.689 -4.860 -3.943 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.648 -6.871 -4.079 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.948 -5.917 -5.847 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.865 -7.144 -5.222 1.00 0.00 H new ATOM 1033 N GLY A 67 -7.618 -8.026 -1.926 1.00 0.00 N ATOM 1034 CA GLY A 67 -7.175 -9.027 -0.971 1.00 0.00 C ATOM 1035 C GLY A 67 -6.133 -8.447 -0.012 1.00 0.00 C ATOM 1036 O GLY A 67 -6.026 -8.885 1.133 1.00 0.00 O ATOM 0 H GLY A 67 -8.435 -7.490 -1.633 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.029 -9.398 -0.405 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.751 -9.879 -1.502 1.00 0.00 H new ATOM 1040 N VAL A 68 -5.392 -7.470 -0.514 1.00 0.00 N ATOM 1041 CA VAL A 68 -4.363 -6.826 0.284 1.00 0.00 C ATOM 1042 C VAL A 68 -4.935 -5.556 0.917 1.00 0.00 C ATOM 1043 O VAL A 68 -6.061 -5.161 0.616 1.00 0.00 O ATOM 1044 CB VAL A 68 -3.125 -6.560 -0.574 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -1.864 -6.489 0.289 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -2.980 -7.618 -1.670 1.00 0.00 C ATOM 0 H VAL A 68 -5.484 -7.109 -1.463 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.045 -7.480 1.096 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.255 -5.592 -1.057 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.999 -6.299 -0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.965 -5.683 1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.728 -7.435 0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.092 -7.406 -2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.884 -8.603 -1.214 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.861 -7.600 -2.312 1.00 0.00 H new ATOM 1056 N LYS A 69 -4.134 -4.951 1.782 1.00 0.00 N ATOM 1057 CA LYS A 69 -4.547 -3.734 2.460 1.00 0.00 C ATOM 1058 C LYS A 69 -3.349 -2.790 2.578 1.00 0.00 C ATOM 1059 O LYS A 69 -2.211 -3.238 2.706 1.00 0.00 O ATOM 1060 CB LYS A 69 -5.204 -4.064 3.801 1.00 0.00 C ATOM 1061 CG LYS A 69 -5.911 -2.838 4.382 1.00 0.00 C ATOM 1062 CD LYS A 69 -5.625 -2.698 5.879 1.00 0.00 C ATOM 1063 CE LYS A 69 -6.637 -3.493 6.707 1.00 0.00 C ATOM 1064 NZ LYS A 69 -6.180 -4.889 6.883 1.00 0.00 N ATOM 0 H LYS A 69 -3.201 -5.281 2.029 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.308 -3.213 1.878 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.922 -4.873 3.669 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.449 -4.419 4.502 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.579 -1.941 3.859 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.986 -2.923 4.220 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.616 -3.050 6.095 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.663 -1.646 6.163 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.769 -3.022 7.681 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.609 -3.482 6.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.834 -5.391 7.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.158 -5.366 5.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.226 -4.892 7.297 1.00 0.00 H new ATOM 1078 N VAL A 70 -3.646 -1.499 2.531 1.00 0.00 N ATOM 1079 CA VAL A 70 -2.608 -0.488 2.631 1.00 0.00 C ATOM 1080 C VAL A 70 -2.937 0.463 3.783 1.00 0.00 C ATOM 1081 O VAL A 70 -4.083 0.536 4.224 1.00 0.00 O ATOM 1082 CB VAL A 70 -2.446 0.230 1.290 1.00 0.00 C ATOM 1083 CG1 VAL A 70 -1.506 1.431 1.421 1.00 0.00 C ATOM 1084 CG2 VAL A 70 -1.957 -0.733 0.207 1.00 0.00 C ATOM 0 H VAL A 70 -4.591 -1.131 2.425 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.646 -0.949 2.856 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.425 0.602 0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.408 1.924 0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.914 2.135 2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.526 1.091 1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.850 -0.196 -0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.993 -1.149 0.499 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.679 -1.541 0.085 1.00 0.00 H new ATOM 1094 N VAL A 71 -1.912 1.169 4.237 1.00 0.00 N ATOM 1095 CA VAL A 71 -2.079 2.112 5.329 1.00 0.00 C ATOM 1096 C VAL A 71 -1.145 3.305 5.114 1.00 0.00 C ATOM 1097 O VAL A 71 0.074 3.170 5.218 1.00 0.00 O ATOM 1098 CB VAL A 71 -1.851 1.408 6.669 1.00 0.00 C ATOM 1099 CG1 VAL A 71 -2.417 -0.013 6.644 1.00 0.00 C ATOM 1100 CG2 VAL A 71 -0.366 1.401 7.038 1.00 0.00 C ATOM 0 H VAL A 71 -0.963 1.107 3.868 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.099 2.496 5.349 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.384 1.967 7.438 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.242 -0.491 7.608 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.488 0.026 6.447 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.924 -0.587 5.859 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.231 0.895 7.994 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.198 0.876 6.267 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.006 2.427 7.116 1.00 0.00 H new ATOM 1110 N ILE A 72 -1.751 4.445 4.818 1.00 0.00 N ATOM 1111 CA ILE A 72 -0.989 5.660 4.588 1.00 0.00 C ATOM 1112 C ILE A 72 -0.913 6.464 5.888 1.00 0.00 C ATOM 1113 O ILE A 72 -1.796 6.361 6.738 1.00 0.00 O ATOM 1114 CB ILE A 72 -1.575 6.445 3.413 1.00 0.00 C ATOM 1115 CG1 ILE A 72 -2.041 5.503 2.301 1.00 0.00 C ATOM 1116 CG2 ILE A 72 -0.580 7.489 2.900 1.00 0.00 C ATOM 1117 CD1 ILE A 72 -3.549 5.625 2.075 1.00 0.00 C ATOM 0 H ILE A 72 -2.762 4.553 4.732 1.00 0.00 H new ATOM 0 HA ILE A 72 0.035 5.419 4.302 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.454 6.984 3.767 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.511 5.735 1.377 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.791 4.475 2.562 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.021 8.033 2.065 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.340 8.187 3.702 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.331 6.991 2.568 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.854 4.945 1.280 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.077 5.369 2.994 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.793 6.649 1.790 1.00 0.00 H new ATOM 1129 N ASP A 73 0.150 7.247 6.001 1.00 0.00 N ATOM 1130 CA ASP A 73 0.352 8.068 7.182 1.00 0.00 C ATOM 1131 C ASP A 73 -0.608 9.258 7.142 1.00 0.00 C ATOM 1132 O ASP A 73 -1.071 9.651 6.072 1.00 0.00 O ATOM 1133 CB ASP A 73 1.780 8.615 7.235 1.00 0.00 C ATOM 1134 CG ASP A 73 2.678 7.977 8.297 1.00 0.00 C ATOM 1135 OD1 ASP A 73 2.845 6.740 8.231 1.00 0.00 O ATOM 1136 OD2 ASP A 73 3.177 8.740 9.151 1.00 0.00 O ATOM 0 H ASP A 73 0.880 7.330 5.294 1.00 0.00 H new ATOM 0 HA ASP A 73 0.171 7.447 8.059 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.243 8.476 6.258 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.735 9.689 7.416 1.00 0.00 H new ATOM 1141 N PRO A 74 -0.887 9.813 8.352 1.00 0.00 N ATOM 1142 CA PRO A 74 -1.784 10.951 8.465 1.00 0.00 C ATOM 1143 C PRO A 74 -1.101 12.236 7.993 1.00 0.00 C ATOM 1144 O PRO A 74 -1.770 13.185 7.586 1.00 0.00 O ATOM 1145 CB PRO A 74 -2.182 10.994 9.931 1.00 0.00 C ATOM 1146 CG PRO A 74 -1.139 10.172 10.670 1.00 0.00 C ATOM 1147 CD PRO A 74 -0.357 9.375 9.639 1.00 0.00 C ATOM 0 HA PRO A 74 -2.665 10.857 7.830 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.204 12.019 10.300 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.180 10.581 10.077 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.472 10.822 11.236 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.617 9.504 11.386 1.00 0.00 H new ATOM 0 HD2 PRO A 74 0.712 9.572 9.714 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.495 8.303 9.780 1.00 0.00 H new ATOM 1155 N PHE A 75 0.222 12.226 8.063 1.00 0.00 N ATOM 1156 CA PHE A 75 1.002 13.379 7.648 1.00 0.00 C ATOM 1157 C PHE A 75 1.379 13.283 6.169 1.00 0.00 C ATOM 1158 O PHE A 75 1.521 14.301 5.493 1.00 0.00 O ATOM 1159 CB PHE A 75 2.280 13.381 8.489 1.00 0.00 C ATOM 1160 CG PHE A 75 2.743 14.775 8.916 1.00 0.00 C ATOM 1161 CD1 PHE A 75 3.479 15.538 8.063 1.00 0.00 C ATOM 1162 CD2 PHE A 75 2.419 15.252 10.148 1.00 0.00 C ATOM 1163 CE1 PHE A 75 3.908 16.832 8.459 1.00 0.00 C ATOM 1164 CE2 PHE A 75 2.849 16.546 10.544 1.00 0.00 C ATOM 1165 CZ PHE A 75 3.584 17.309 9.691 1.00 0.00 C ATOM 0 H PHE A 75 0.773 11.437 8.401 1.00 0.00 H new ATOM 0 HA PHE A 75 0.421 14.291 7.788 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.117 12.775 9.380 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.078 12.903 7.920 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.737 15.159 7.085 1.00 0.00 H new ATOM 0 HD2 PHE A 75 1.835 14.646 10.825 1.00 0.00 H new ATOM 0 HE1 PHE A 75 4.492 17.438 7.782 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.592 16.924 11.522 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.910 18.294 9.992 1.00 0.00 H new ATOM 1175 N SER A 76 1.532 12.049 5.709 1.00 0.00 N ATOM 1176 CA SER A 76 1.890 11.807 4.322 1.00 0.00 C ATOM 1177 C SER A 76 0.626 11.702 3.466 1.00 0.00 C ATOM 1178 O SER A 76 0.682 11.862 2.248 1.00 0.00 O ATOM 1179 CB SER A 76 2.731 10.536 4.185 1.00 0.00 C ATOM 1180 OG SER A 76 1.934 9.401 3.856 1.00 0.00 O ATOM 0 H SER A 76 1.414 11.207 6.272 1.00 0.00 H new ATOM 0 HA SER A 76 2.490 12.647 3.971 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.488 10.683 3.414 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.260 10.349 5.119 1.00 0.00 H new ATOM 0 HG SER A 76 1.803 9.363 2.885 1.00 0.00 H new ATOM 1186 N MET A 77 -0.484 11.433 4.137 1.00 0.00 N ATOM 1187 CA MET A 77 -1.759 11.305 3.453 1.00 0.00 C ATOM 1188 C MET A 77 -2.098 12.581 2.680 1.00 0.00 C ATOM 1189 O MET A 77 -2.436 12.524 1.499 1.00 0.00 O ATOM 1190 CB MET A 77 -2.861 11.020 4.476 1.00 0.00 C ATOM 1191 CG MET A 77 -3.353 9.576 4.364 1.00 0.00 C ATOM 1192 SD MET A 77 -3.877 9.237 2.692 1.00 0.00 S ATOM 1193 CE MET A 77 -4.911 10.661 2.396 1.00 0.00 C ATOM 0 H MET A 77 -0.527 11.300 5.147 1.00 0.00 H new ATOM 0 HA MET A 77 -1.687 10.481 2.743 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.484 11.202 5.482 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.694 11.705 4.319 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.557 8.889 4.651 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.181 9.411 5.054 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.636 10.428 1.616 1.00 0.00 H new ATOM 0 HE2 MET A 77 -5.437 10.926 3.313 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.292 11.500 2.077 1.00 0.00 H new ATOM 1203 N PRO A 78 -1.992 13.732 3.396 1.00 0.00 N ATOM 1204 CA PRO A 78 -2.282 15.020 2.790 1.00 0.00 C ATOM 1205 C PRO A 78 -1.150 15.455 1.857 1.00 0.00 C ATOM 1206 O PRO A 78 -1.201 16.539 1.277 1.00 0.00 O ATOM 1207 CB PRO A 78 -2.486 15.969 3.960 1.00 0.00 C ATOM 1208 CG PRO A 78 -1.848 15.291 5.162 1.00 0.00 C ATOM 1209 CD PRO A 78 -1.594 13.838 4.797 1.00 0.00 C ATOM 0 HA PRO A 78 -3.168 14.996 2.155 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.022 16.936 3.765 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.546 16.154 4.133 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.914 15.786 5.429 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -2.504 15.357 6.030 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.545 13.574 4.932 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -2.176 13.164 5.426 1.00 0.00 H new ATOM 1217 N TYR A 79 -0.154 14.589 1.743 1.00 0.00 N ATOM 1218 CA TYR A 79 0.989 14.870 0.891 1.00 0.00 C ATOM 1219 C TYR A 79 0.855 14.160 -0.458 1.00 0.00 C ATOM 1220 O TYR A 79 1.530 14.518 -1.421 1.00 0.00 O ATOM 1221 CB TYR A 79 2.210 14.315 1.627 1.00 0.00 C ATOM 1222 CG TYR A 79 3.425 15.244 1.604 1.00 0.00 C ATOM 1223 CD1 TYR A 79 4.307 15.201 0.543 1.00 0.00 C ATOM 1224 CD2 TYR A 79 3.640 16.125 2.645 1.00 0.00 C ATOM 1225 CE1 TYR A 79 5.451 16.075 0.522 1.00 0.00 C ATOM 1226 CE2 TYR A 79 4.784 16.999 2.623 1.00 0.00 C ATOM 1227 CZ TYR A 79 5.633 16.931 1.563 1.00 0.00 C ATOM 1228 OH TYR A 79 6.714 17.757 1.542 1.00 0.00 O ATOM 0 H TYR A 79 -0.115 13.692 2.227 1.00 0.00 H new ATOM 0 HA TYR A 79 1.069 15.939 0.696 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.937 14.116 2.663 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.487 13.360 1.181 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.139 14.512 -0.271 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.950 16.159 3.475 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.149 16.051 -0.302 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.964 17.693 3.431 1.00 0.00 H new ATOM 0 HH TYR A 79 6.716 18.314 2.348 1.00 0.00 H new ATOM 1238 N VAL A 80 -0.021 13.167 -0.483 1.00 0.00 N ATOM 1239 CA VAL A 80 -0.252 12.403 -1.698 1.00 0.00 C ATOM 1240 C VAL A 80 -1.757 12.207 -1.893 1.00 0.00 C ATOM 1241 O VAL A 80 -2.191 11.173 -2.398 1.00 0.00 O ATOM 1242 CB VAL A 80 0.521 11.084 -1.642 1.00 0.00 C ATOM 1243 CG1 VAL A 80 1.845 11.256 -0.894 1.00 0.00 C ATOM 1244 CG2 VAL A 80 -0.327 9.978 -1.010 1.00 0.00 C ATOM 0 H VAL A 80 -0.580 12.873 0.318 1.00 0.00 H new ATOM 0 HA VAL A 80 0.121 12.945 -2.567 1.00 0.00 H new ATOM 0 HB VAL A 80 0.751 10.786 -2.665 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.375 10.304 -0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.458 11.999 -1.405 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.647 11.588 0.125 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.246 9.051 -0.982 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.602 10.265 0.005 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.230 9.829 -1.602 1.00 0.00 H new ATOM 1254 N ASN A 81 -2.511 13.216 -1.483 1.00 0.00 N ATOM 1255 CA ASN A 81 -3.958 13.167 -1.607 1.00 0.00 C ATOM 1256 C ASN A 81 -4.330 12.662 -3.002 1.00 0.00 C ATOM 1257 O ASN A 81 -3.836 13.176 -4.005 1.00 0.00 O ATOM 1258 CB ASN A 81 -4.574 14.556 -1.428 1.00 0.00 C ATOM 1259 CG ASN A 81 -6.039 14.567 -1.867 1.00 0.00 C ATOM 1260 OD1 ASN A 81 -6.371 14.845 -3.008 1.00 0.00 O ATOM 1261 ND2 ASN A 81 -6.896 14.250 -0.900 1.00 0.00 N ATOM 0 H ASN A 81 -2.147 14.072 -1.065 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.339 12.501 -0.833 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -4.502 14.858 -0.383 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.011 15.285 -2.010 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -7.897 14.229 -1.093 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.552 14.028 0.034 1.00 0.00 H new ATOM 1268 N GLY A 82 -5.197 11.660 -3.023 1.00 0.00 N ATOM 1269 CA GLY A 82 -5.640 11.079 -4.279 1.00 0.00 C ATOM 1270 C GLY A 82 -4.468 10.903 -5.246 1.00 0.00 C ATOM 1271 O GLY A 82 -4.656 10.898 -6.461 1.00 0.00 O ATOM 0 H GLY A 82 -5.605 11.236 -2.190 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.109 10.113 -4.091 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.397 11.719 -4.732 1.00 0.00 H new ATOM 1275 N ALA A 83 -3.283 10.763 -4.669 1.00 0.00 N ATOM 1276 CA ALA A 83 -2.080 10.587 -5.465 1.00 0.00 C ATOM 1277 C ALA A 83 -2.038 9.158 -6.010 1.00 0.00 C ATOM 1278 O ALA A 83 -2.637 8.252 -5.432 1.00 0.00 O ATOM 1279 CB ALA A 83 -0.852 10.923 -4.615 1.00 0.00 C ATOM 0 H ALA A 83 -3.131 10.768 -3.660 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.082 11.265 -6.318 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.051 10.791 -5.212 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.916 11.957 -4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.815 10.260 -3.750 1.00 0.00 H new ATOM 1285 N GLU A 84 -1.325 9.001 -7.115 1.00 0.00 N ATOM 1286 CA GLU A 84 -1.198 7.698 -7.744 1.00 0.00 C ATOM 1287 C GLU A 84 0.248 7.205 -7.657 1.00 0.00 C ATOM 1288 O GLU A 84 1.123 7.711 -8.359 1.00 0.00 O ATOM 1289 CB GLU A 84 -1.676 7.741 -9.197 1.00 0.00 C ATOM 1290 CG GLU A 84 -3.203 7.697 -9.273 1.00 0.00 C ATOM 1291 CD GLU A 84 -3.722 8.602 -10.393 1.00 0.00 C ATOM 1292 OE1 GLU A 84 -3.262 8.409 -11.538 1.00 0.00 O ATOM 1293 OE2 GLU A 84 -4.568 9.467 -10.077 1.00 0.00 O ATOM 0 H GLU A 84 -0.829 9.755 -7.591 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.834 6.994 -7.208 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.310 8.649 -9.677 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.256 6.898 -9.747 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.533 6.673 -9.446 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.627 8.012 -8.320 1.00 0.00 H new ATOM 1300 N LEU A 85 0.455 6.225 -6.790 1.00 0.00 N ATOM 1301 CA LEU A 85 1.780 5.659 -6.602 1.00 0.00 C ATOM 1302 C LEU A 85 2.018 4.571 -7.652 1.00 0.00 C ATOM 1303 O LEU A 85 1.454 3.482 -7.562 1.00 0.00 O ATOM 1304 CB LEU A 85 1.956 5.173 -5.162 1.00 0.00 C ATOM 1305 CG LEU A 85 2.850 3.946 -4.973 1.00 0.00 C ATOM 1306 CD1 LEU A 85 4.311 4.280 -5.283 1.00 0.00 C ATOM 1307 CD2 LEU A 85 2.682 3.356 -3.571 1.00 0.00 C ATOM 0 H LEU A 85 -0.273 5.808 -6.210 1.00 0.00 H new ATOM 0 HA LEU A 85 2.545 6.421 -6.752 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.367 5.992 -4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.971 4.947 -4.753 1.00 0.00 H new ATOM 0 HG LEU A 85 2.536 3.181 -5.684 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.925 3.391 -5.141 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.396 4.618 -6.316 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.654 5.069 -4.613 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.328 2.485 -3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.954 4.104 -2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.644 3.058 -3.424 1.00 0.00 H new ATOM 1319 N ASP A 86 2.855 4.905 -8.624 1.00 0.00 N ATOM 1320 CA ASP A 86 3.175 3.970 -9.689 1.00 0.00 C ATOM 1321 C ASP A 86 4.508 3.285 -9.378 1.00 0.00 C ATOM 1322 O ASP A 86 5.568 3.896 -9.505 1.00 0.00 O ATOM 1323 CB ASP A 86 3.317 4.692 -11.031 1.00 0.00 C ATOM 1324 CG ASP A 86 3.077 3.818 -12.263 1.00 0.00 C ATOM 1325 OD1 ASP A 86 3.469 2.633 -12.204 1.00 0.00 O ATOM 1326 OD2 ASP A 86 2.507 4.355 -13.238 1.00 0.00 O ATOM 0 H ASP A 86 3.321 5.810 -8.696 1.00 0.00 H new ATOM 0 HA ASP A 86 2.366 3.243 -9.754 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.616 5.526 -11.054 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.319 5.116 -11.094 1.00 0.00 H new ATOM 1331 N TYR A 87 4.410 2.027 -8.976 1.00 0.00 N ATOM 1332 CA TYR A 87 5.594 1.252 -8.646 1.00 0.00 C ATOM 1333 C TYR A 87 6.185 0.595 -9.894 1.00 0.00 C ATOM 1334 O TYR A 87 5.579 -0.306 -10.472 1.00 0.00 O ATOM 1335 CB TYR A 87 5.129 0.160 -7.681 1.00 0.00 C ATOM 1336 CG TYR A 87 6.244 -0.412 -6.804 1.00 0.00 C ATOM 1337 CD1 TYR A 87 7.024 -1.450 -7.269 1.00 0.00 C ATOM 1338 CD2 TYR A 87 6.470 0.111 -5.546 1.00 0.00 C ATOM 1339 CE1 TYR A 87 8.074 -1.989 -6.444 1.00 0.00 C ATOM 1340 CE2 TYR A 87 7.519 -0.428 -4.720 1.00 0.00 C ATOM 1341 CZ TYR A 87 8.270 -1.451 -5.210 1.00 0.00 C ATOM 1342 OH TYR A 87 9.261 -1.960 -4.430 1.00 0.00 O ATOM 0 H TYR A 87 3.529 1.524 -8.871 1.00 0.00 H new ATOM 0 HA TYR A 87 6.363 1.892 -8.213 1.00 0.00 H new ATOM 0 HB2 TYR A 87 4.348 0.566 -7.038 1.00 0.00 H new ATOM 0 HB3 TYR A 87 4.680 -0.651 -8.255 1.00 0.00 H new ATOM 0 HD1 TYR A 87 6.847 -1.859 -8.253 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.860 0.924 -5.182 1.00 0.00 H new ATOM 0 HE1 TYR A 87 8.692 -2.802 -6.797 1.00 0.00 H new ATOM 0 HE2 TYR A 87 7.705 -0.029 -3.734 1.00 0.00 H new ATOM 0 HH TYR A 87 9.705 -1.231 -3.948 1.00 0.00 H new ATOM 1352 N VAL A 88 7.362 1.070 -10.274 1.00 0.00 N ATOM 1353 CA VAL A 88 8.042 0.540 -11.444 1.00 0.00 C ATOM 1354 C VAL A 88 8.473 -0.902 -11.167 1.00 0.00 C ATOM 1355 O VAL A 88 8.772 -1.257 -10.028 1.00 0.00 O ATOM 1356 CB VAL A 88 9.211 1.450 -11.827 1.00 0.00 C ATOM 1357 CG1 VAL A 88 10.022 0.846 -12.975 1.00 0.00 C ATOM 1358 CG2 VAL A 88 8.718 2.854 -12.183 1.00 0.00 C ATOM 0 H VAL A 88 7.863 1.817 -9.792 1.00 0.00 H new ATOM 0 HA VAL A 88 7.369 0.520 -12.301 1.00 0.00 H new ATOM 0 HB VAL A 88 9.868 1.535 -10.961 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.847 1.512 -13.228 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.418 -0.123 -12.670 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.379 0.717 -13.846 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.568 3.481 -12.451 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.030 2.795 -13.026 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.204 3.288 -11.325 1.00 0.00 H new ATOM 1447 N GLY A 95 11.243 0.046 -8.980 1.00 0.00 N ATOM 1448 CA GLY A 95 11.544 1.390 -8.519 1.00 0.00 C ATOM 1449 C GLY A 95 10.265 2.137 -8.134 1.00 0.00 C ATOM 1450 O GLY A 95 9.241 2.007 -8.802 1.00 0.00 O ATOM 0 HA2 GLY A 95 12.214 1.342 -7.661 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.068 1.938 -9.302 1.00 0.00 H new ATOM 1454 N PHE A 96 10.367 2.902 -7.057 1.00 0.00 N ATOM 1455 CA PHE A 96 9.231 3.669 -6.574 1.00 0.00 C ATOM 1456 C PHE A 96 9.064 4.963 -7.373 1.00 0.00 C ATOM 1457 O PHE A 96 10.049 5.600 -7.743 1.00 0.00 O ATOM 1458 CB PHE A 96 9.517 4.019 -5.112 1.00 0.00 C ATOM 1459 CG PHE A 96 10.213 2.904 -4.330 1.00 0.00 C ATOM 1460 CD1 PHE A 96 9.482 1.891 -3.792 1.00 0.00 C ATOM 1461 CD2 PHE A 96 11.564 2.926 -4.171 1.00 0.00 C ATOM 1462 CE1 PHE A 96 10.128 0.856 -3.066 1.00 0.00 C ATOM 1463 CE2 PHE A 96 12.210 1.891 -3.445 1.00 0.00 C ATOM 1464 CZ PHE A 96 11.479 0.878 -2.908 1.00 0.00 C ATOM 0 H PHE A 96 11.218 3.007 -6.505 1.00 0.00 H new ATOM 0 HA PHE A 96 8.316 3.087 -6.681 1.00 0.00 H new ATOM 0 HB2 PHE A 96 10.138 4.914 -5.078 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.577 4.264 -4.617 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.409 1.874 -3.917 1.00 0.00 H new ATOM 0 HD2 PHE A 96 12.145 3.731 -4.597 1.00 0.00 H new ATOM 0 HE1 PHE A 96 9.547 0.052 -2.639 1.00 0.00 H new ATOM 0 HE2 PHE A 96 13.283 1.908 -3.319 1.00 0.00 H new ATOM 0 HZ PHE A 96 11.971 0.091 -2.356 1.00 0.00 H new ATOM 1474 N THR A 97 7.810 5.314 -7.615 1.00 0.00 N ATOM 1475 CA THR A 97 7.501 6.520 -8.363 1.00 0.00 C ATOM 1476 C THR A 97 6.160 7.101 -7.909 1.00 0.00 C ATOM 1477 O THR A 97 5.159 6.388 -7.849 1.00 0.00 O ATOM 1478 CB THR A 97 7.540 6.176 -9.853 1.00 0.00 C ATOM 1479 OG1 THR A 97 8.850 6.559 -10.264 1.00 0.00 O ATOM 1480 CG2 THR A 97 6.614 7.065 -10.685 1.00 0.00 C ATOM 0 H THR A 97 6.995 4.784 -7.306 1.00 0.00 H new ATOM 0 HA THR A 97 8.238 7.301 -8.175 1.00 0.00 H new ATOM 0 HB THR A 97 7.260 5.132 -9.991 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.490 6.353 -9.551 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.681 6.778 -11.734 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.587 6.944 -10.340 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.914 8.107 -10.574 1.00 0.00 H new ATOM 1488 N ILE A 98 6.184 8.389 -7.601 1.00 0.00 N ATOM 1489 CA ILE A 98 4.982 9.074 -7.154 1.00 0.00 C ATOM 1490 C ILE A 98 4.825 10.380 -7.935 1.00 0.00 C ATOM 1491 O ILE A 98 5.740 11.200 -7.971 1.00 0.00 O ATOM 1492 CB ILE A 98 5.007 9.264 -5.636 1.00 0.00 C ATOM 1493 CG1 ILE A 98 3.602 9.530 -5.094 1.00 0.00 C ATOM 1494 CG2 ILE A 98 5.993 10.364 -5.237 1.00 0.00 C ATOM 1495 CD1 ILE A 98 3.043 8.293 -4.388 1.00 0.00 C ATOM 0 H ILE A 98 7.016 8.977 -7.652 1.00 0.00 H new ATOM 0 HA ILE A 98 4.099 8.470 -7.362 1.00 0.00 H new ATOM 0 HB ILE A 98 5.358 8.337 -5.182 1.00 0.00 H new ATOM 0 HG12 ILE A 98 3.630 10.369 -4.398 1.00 0.00 H new ATOM 0 HG13 ILE A 98 2.941 9.816 -5.912 1.00 0.00 H new ATOM 0 HG21 ILE A 98 5.991 10.479 -4.153 1.00 0.00 H new ATOM 0 HG22 ILE A 98 6.995 10.094 -5.572 1.00 0.00 H new ATOM 0 HG23 ILE A 98 5.697 11.304 -5.702 1.00 0.00 H new ATOM 0 HD11 ILE A 98 2.043 8.509 -4.012 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.994 7.463 -5.093 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.693 8.024 -3.555 1.00 0.00 H new ATOM 1507 N ARG A 99 3.656 10.533 -8.541 1.00 0.00 N ATOM 1508 CA ARG A 99 3.367 11.725 -9.319 1.00 0.00 C ATOM 1509 C ARG A 99 2.244 12.529 -8.660 1.00 0.00 C ATOM 1510 O ARG A 99 1.194 11.980 -8.331 1.00 0.00 O ATOM 1511 CB ARG A 99 2.955 11.364 -10.748 1.00 0.00 C ATOM 1512 CG ARG A 99 3.928 11.962 -11.766 1.00 0.00 C ATOM 1513 CD ARG A 99 3.410 11.776 -13.194 1.00 0.00 C ATOM 1514 NE ARG A 99 4.527 11.902 -14.158 1.00 0.00 N ATOM 1515 CZ ARG A 99 5.384 10.913 -14.447 1.00 0.00 C ATOM 1516 NH1 ARG A 99 5.258 9.721 -13.850 1.00 0.00 N ATOM 1517 NH2 ARG A 99 6.367 11.118 -15.335 1.00 0.00 N ATOM 0 H ARG A 99 2.898 9.851 -8.508 1.00 0.00 H new ATOM 0 HA ARG A 99 4.276 12.325 -9.356 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.927 10.280 -10.859 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.947 11.731 -10.944 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.067 13.023 -11.561 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.904 11.487 -11.664 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.940 10.798 -13.295 1.00 0.00 H new ATOM 0 HD3 ARG A 99 2.645 12.521 -13.412 1.00 0.00 H new ATOM 0 HE ARG A 99 4.652 12.797 -14.631 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.509 9.565 -13.175 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.911 8.969 -14.070 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.462 12.026 -15.790 1.00 0.00 H new ATOM 0 HH22 ARG A 99 7.020 10.366 -15.556 1.00 0.00 H new ATOM 1531 N ASN A 100 2.504 13.817 -8.488 1.00 0.00 N ATOM 1532 CA ASN A 100 1.529 14.702 -7.875 1.00 0.00 C ATOM 1533 C ASN A 100 1.496 16.026 -8.640 1.00 0.00 C ATOM 1534 O ASN A 100 2.537 16.536 -9.051 1.00 0.00 O ATOM 1535 CB ASN A 100 1.897 15.004 -6.421 1.00 0.00 C ATOM 1536 CG ASN A 100 3.194 15.813 -6.341 1.00 0.00 C ATOM 1537 OD1 ASN A 100 3.218 17.017 -6.541 1.00 0.00 O ATOM 1538 ND2 ASN A 100 4.266 15.087 -6.038 1.00 0.00 N ATOM 0 H ASN A 100 3.376 14.269 -8.763 1.00 0.00 H new ATOM 0 HA ASN A 100 0.558 14.207 -7.906 1.00 0.00 H new ATOM 0 HB2 ASN A 100 1.088 15.558 -5.945 1.00 0.00 H new ATOM 0 HB3 ASN A 100 2.011 14.071 -5.870 1.00 0.00 H new ATOM 0 HD21 ASN A 100 5.179 15.534 -5.960 1.00 0.00 H new ATOM 0 HD22 ASN A 100 4.175 14.083 -5.883 1.00 0.00 H new ATOM 1545 N PRO A 101 0.257 16.560 -8.812 1.00 0.00 N ATOM 1546 CA PRO A 101 0.075 17.816 -9.521 1.00 0.00 C ATOM 1547 C PRO A 101 0.503 19.001 -8.654 1.00 0.00 C ATOM 1548 O PRO A 101 -0.328 19.630 -8.001 1.00 0.00 O ATOM 1549 CB PRO A 101 -1.400 17.850 -9.887 1.00 0.00 C ATOM 1550 CG PRO A 101 -2.080 16.844 -8.974 1.00 0.00 C ATOM 1551 CD PRO A 101 -0.998 15.985 -8.339 1.00 0.00 C ATOM 0 HA PRO A 101 0.695 17.889 -10.414 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -1.814 18.848 -9.745 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -1.548 17.589 -10.935 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -2.660 17.356 -8.206 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -2.776 16.225 -9.540 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -1.060 16.010 -7.251 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -1.094 14.942 -8.639 1.00 0.00 H new