USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 374 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 230 TYR OH : rot 34:sc= -2.64! USER MOD Set 1.2: A 246 CYS SG : rot 24:sc= -1.94 USER MOD Set 2.1: A 184 ASN : amide:sc= -0.028 K(o=-12,f=-12) USER MOD Set 2.2: A 185 HIS : no HD1:sc= -5.57! C(o=-12!,f=-27!) USER MOD Set 2.3: A 245 TYR OH : rot -146:sc= -6.03! USER MOD Single : A 210 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 211 TYR OH : rot 180:sc= 0 USER MOD Single : A 216 LYS NZ :NH3+ -132:sc= -0.0586 (180deg=-0.192) USER MOD Single : A 225 ASN :FLIP amide:sc= 0.661 F(o=-1.6,f=0.66) USER MOD Single : A 226 THR OG1 : rot -89:sc= 2.06! USER MOD Single : A 229 THR OG1 : rot 180:sc= 0 USER MOD Single : A 232 SER OG : rot 180:sc= 0 USER MOD Single : A 235 GLN : amide:sc= -0.382 X(o=-0.38,f=0) USER MOD Single : A 240 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 244 ASN : amide:sc= -1.59 K(o=-1.6,f=-3.1!) USER MOD Single : A 247 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 248 GLN :FLIP amide:sc= -0.701 F(o=-2.7,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 105 N ILE A 179 5.979 -1.115 -4.073 1.00 0.00 N ATOM 106 CA ILE A 179 5.394 -2.133 -3.155 1.00 0.00 C ATOM 107 C ILE A 179 6.122 -3.470 -3.318 1.00 0.00 C ATOM 108 O ILE A 179 6.279 -3.970 -4.414 1.00 0.00 O ATOM 109 CB ILE A 179 3.910 -2.224 -3.563 1.00 0.00 C ATOM 110 CG1 ILE A 179 3.051 -2.206 -2.305 1.00 0.00 C ATOM 111 CG2 ILE A 179 3.614 -3.511 -4.350 1.00 0.00 C ATOM 112 CD1 ILE A 179 1.576 -2.324 -2.689 1.00 0.00 C ATOM 0 HA ILE A 179 5.495 -1.867 -2.103 1.00 0.00 H new ATOM 0 HB ILE A 179 3.681 -1.373 -4.205 1.00 0.00 H new ATOM 0 HG12 ILE A 179 3.333 -3.029 -1.648 1.00 0.00 H new ATOM 0 HG13 ILE A 179 3.220 -1.283 -1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 179 2.558 -3.538 -4.619 1.00 0.00 H new ATOM 0 HG22 ILE A 179 4.220 -3.531 -5.256 1.00 0.00 H new ATOM 0 HG23 ILE A 179 3.854 -4.378 -3.734 1.00 0.00 H new ATOM 0 HD11 ILE A 179 0.963 -2.311 -1.788 1.00 0.00 H new ATOM 0 HD12 ILE A 179 1.298 -1.486 -3.329 1.00 0.00 H new ATOM 0 HD13 ILE A 179 1.413 -3.259 -3.225 1.00 0.00 H new ATOM 124 N ASP A 180 6.557 -4.059 -2.239 1.00 0.00 N ATOM 125 CA ASP A 180 7.257 -5.365 -2.351 1.00 0.00 C ATOM 126 C ASP A 180 6.248 -6.498 -2.205 1.00 0.00 C ATOM 127 O ASP A 180 6.245 -7.440 -2.973 1.00 0.00 O ATOM 128 CB ASP A 180 8.267 -5.386 -1.203 1.00 0.00 C ATOM 129 CG ASP A 180 9.491 -6.205 -1.614 1.00 0.00 C ATOM 130 OD1 ASP A 180 10.293 -5.693 -2.378 1.00 0.00 O ATOM 131 OD2 ASP A 180 9.608 -7.329 -1.156 1.00 0.00 O ATOM 0 H ASP A 180 6.458 -3.694 -1.292 1.00 0.00 H new ATOM 0 HA ASP A 180 7.751 -5.492 -3.314 1.00 0.00 H new ATOM 0 HB2 ASP A 180 8.566 -4.369 -0.949 1.00 0.00 H new ATOM 0 HB3 ASP A 180 7.811 -5.817 -0.311 1.00 0.00 H new ATOM 136 N ILE A 181 5.389 -6.417 -1.227 1.00 0.00 N ATOM 137 CA ILE A 181 4.387 -7.500 -1.033 1.00 0.00 C ATOM 138 C ILE A 181 3.205 -7.017 -0.184 1.00 0.00 C ATOM 139 O ILE A 181 3.368 -6.275 0.761 1.00 0.00 O ATOM 140 CB ILE A 181 5.151 -8.584 -0.276 1.00 0.00 C ATOM 141 CG1 ILE A 181 6.110 -9.312 -1.218 1.00 0.00 C ATOM 142 CG2 ILE A 181 4.164 -9.590 0.321 1.00 0.00 C ATOM 143 CD1 ILE A 181 6.661 -10.548 -0.511 1.00 0.00 C ATOM 0 H ILE A 181 5.338 -5.650 -0.556 1.00 0.00 H new ATOM 0 HA ILE A 181 3.972 -7.843 -1.981 1.00 0.00 H new ATOM 0 HB ILE A 181 5.725 -8.115 0.523 1.00 0.00 H new ATOM 0 HG12 ILE A 181 5.592 -9.601 -2.132 1.00 0.00 H new ATOM 0 HG13 ILE A 181 6.926 -8.650 -1.509 1.00 0.00 H new ATOM 0 HG21 ILE A 181 4.713 -10.362 0.860 1.00 0.00 H new ATOM 0 HG22 ILE A 181 3.491 -9.076 1.008 1.00 0.00 H new ATOM 0 HG23 ILE A 181 3.584 -10.049 -0.479 1.00 0.00 H new ATOM 0 HD11 ILE A 181 7.346 -11.073 -1.177 1.00 0.00 H new ATOM 0 HD12 ILE A 181 7.193 -10.245 0.391 1.00 0.00 H new ATOM 0 HD13 ILE A 181 5.838 -11.210 -0.242 1.00 0.00 H new ATOM 155 N VAL A 182 2.023 -7.465 -0.498 1.00 0.00 N ATOM 156 CA VAL A 182 0.833 -7.072 0.309 1.00 0.00 C ATOM 157 C VAL A 182 0.644 -8.101 1.430 1.00 0.00 C ATOM 158 O VAL A 182 0.014 -9.125 1.250 1.00 0.00 O ATOM 159 CB VAL A 182 -0.342 -7.104 -0.669 1.00 0.00 C ATOM 160 CG1 VAL A 182 -1.548 -6.405 -0.040 1.00 0.00 C ATOM 161 CG2 VAL A 182 0.055 -6.378 -1.956 1.00 0.00 C ATOM 0 H VAL A 182 1.828 -8.089 -1.281 1.00 0.00 H new ATOM 0 HA VAL A 182 0.929 -6.090 0.771 1.00 0.00 H new ATOM 0 HB VAL A 182 -0.602 -8.138 -0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.386 -6.428 -0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -1.827 -6.919 0.880 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -1.292 -5.370 0.186 1.00 0.00 H new ATOM 0 HG21 VAL A 182 -0.779 -6.398 -2.657 1.00 0.00 H new ATOM 0 HG22 VAL A 182 0.311 -5.344 -1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.916 -6.874 -2.403 1.00 0.00 H new ATOM 171 N ILE A 183 1.212 -7.845 2.576 1.00 0.00 N ATOM 172 CA ILE A 183 1.104 -8.812 3.710 1.00 0.00 C ATOM 173 C ILE A 183 -0.357 -9.147 4.020 1.00 0.00 C ATOM 174 O ILE A 183 -0.687 -10.271 4.341 1.00 0.00 O ATOM 175 CB ILE A 183 1.744 -8.095 4.897 1.00 0.00 C ATOM 176 CG1 ILE A 183 3.211 -7.790 4.585 1.00 0.00 C ATOM 177 CG2 ILE A 183 1.668 -8.985 6.137 1.00 0.00 C ATOM 178 CD1 ILE A 183 3.962 -9.097 4.323 1.00 0.00 C ATOM 0 H ILE A 183 1.750 -7.003 2.779 1.00 0.00 H new ATOM 0 HA ILE A 183 1.592 -9.758 3.477 1.00 0.00 H new ATOM 0 HB ILE A 183 1.209 -7.164 5.082 1.00 0.00 H new ATOM 0 HG12 ILE A 183 3.280 -7.138 3.714 1.00 0.00 H new ATOM 0 HG13 ILE A 183 3.668 -7.257 5.419 1.00 0.00 H new ATOM 0 HG21 ILE A 183 2.125 -8.471 6.982 1.00 0.00 H new ATOM 0 HG22 ILE A 183 0.625 -9.202 6.366 1.00 0.00 H new ATOM 0 HG23 ILE A 183 2.200 -9.918 5.949 1.00 0.00 H new ATOM 0 HD11 ILE A 183 5.006 -8.878 4.101 1.00 0.00 H new ATOM 0 HD12 ILE A 183 3.904 -9.733 5.206 1.00 0.00 H new ATOM 0 HD13 ILE A 183 3.511 -9.612 3.475 1.00 0.00 H new ATOM 190 N ASN A 184 -1.232 -8.186 3.941 1.00 0.00 N ATOM 191 CA ASN A 184 -2.663 -8.462 4.248 1.00 0.00 C ATOM 192 C ASN A 184 -3.496 -7.197 4.050 1.00 0.00 C ATOM 193 O ASN A 184 -3.031 -6.218 3.503 1.00 0.00 O ATOM 194 CB ASN A 184 -2.678 -8.888 5.717 1.00 0.00 C ATOM 195 CG ASN A 184 -3.395 -10.231 5.851 1.00 0.00 C ATOM 196 OD1 ASN A 184 -4.398 -10.465 5.206 1.00 0.00 O ATOM 197 ND2 ASN A 184 -2.919 -11.132 6.666 1.00 0.00 N ATOM 0 H ASN A 184 -1.020 -7.224 3.678 1.00 0.00 H new ATOM 0 HA ASN A 184 -3.086 -9.228 3.597 1.00 0.00 H new ATOM 0 HB2 ASN A 184 -1.658 -8.969 6.094 1.00 0.00 H new ATOM 0 HB3 ASN A 184 -3.182 -8.133 6.321 1.00 0.00 H new ATOM 0 HD21 ASN A 184 -3.389 -12.032 6.762 1.00 0.00 H new ATOM 0 HD22 ASN A 184 -2.077 -10.936 7.208 1.00 0.00 H new ATOM 204 N HIS A 185 -4.723 -7.202 4.493 1.00 0.00 N ATOM 205 CA HIS A 185 -5.568 -5.990 4.323 1.00 0.00 C ATOM 206 C HIS A 185 -6.818 -6.072 5.208 1.00 0.00 C ATOM 207 O HIS A 185 -7.085 -7.081 5.831 1.00 0.00 O ATOM 208 CB HIS A 185 -5.943 -5.983 2.834 1.00 0.00 C ATOM 209 CG HIS A 185 -7.125 -6.885 2.591 1.00 0.00 C ATOM 210 ND1 HIS A 185 -6.986 -8.245 2.364 1.00 0.00 N ATOM 211 CD2 HIS A 185 -8.473 -6.635 2.542 1.00 0.00 C ATOM 212 CE1 HIS A 185 -8.219 -8.756 2.191 1.00 0.00 C ATOM 213 NE2 HIS A 185 -9.162 -7.816 2.288 1.00 0.00 N ATOM 0 H HIS A 185 -5.173 -7.988 4.962 1.00 0.00 H new ATOM 0 HA HIS A 185 -5.049 -5.078 4.617 1.00 0.00 H new ATOM 0 HB2 HIS A 185 -6.180 -4.968 2.516 1.00 0.00 H new ATOM 0 HB3 HIS A 185 -5.094 -6.315 2.236 1.00 0.00 H new ATOM 0 HD2 HIS A 185 -8.930 -5.666 2.680 1.00 0.00 H new ATOM 0 HE1 HIS A 185 -8.421 -9.799 1.997 1.00 0.00 H new ATOM 0 HE2 HIS A 185 -10.170 -7.938 2.196 1.00 0.00 H new ATOM 221 N ARG A 186 -7.587 -5.017 5.260 1.00 0.00 N ATOM 222 CA ARG A 186 -8.823 -5.030 6.097 1.00 0.00 C ATOM 223 C ARG A 186 -9.493 -3.653 6.080 1.00 0.00 C ATOM 224 O ARG A 186 -8.937 -2.686 5.598 1.00 0.00 O ATOM 225 CB ARG A 186 -8.350 -5.371 7.510 1.00 0.00 C ATOM 226 CG ARG A 186 -7.144 -4.502 7.870 1.00 0.00 C ATOM 227 CD ARG A 186 -7.471 -3.652 9.101 1.00 0.00 C ATOM 228 NE ARG A 186 -8.131 -4.588 10.054 1.00 0.00 N ATOM 229 CZ ARG A 186 -8.986 -4.131 10.927 1.00 0.00 C ATOM 230 NH1 ARG A 186 -8.601 -3.272 11.831 1.00 0.00 N ATOM 231 NH2 ARG A 186 -10.228 -4.533 10.898 1.00 0.00 N ATOM 0 H ARG A 186 -7.413 -4.146 4.759 1.00 0.00 H new ATOM 0 HA ARG A 186 -9.556 -5.747 5.728 1.00 0.00 H new ATOM 0 HB2 ARG A 186 -9.157 -5.206 8.224 1.00 0.00 H new ATOM 0 HB3 ARG A 186 -8.082 -6.426 7.570 1.00 0.00 H new ATOM 0 HG2 ARG A 186 -6.277 -5.131 8.070 1.00 0.00 H new ATOM 0 HG3 ARG A 186 -6.884 -3.858 7.030 1.00 0.00 H new ATOM 0 HD2 ARG A 186 -6.568 -3.221 9.533 1.00 0.00 H new ATOM 0 HD3 ARG A 186 -8.129 -2.822 8.844 1.00 0.00 H new ATOM 0 HE ARG A 186 -7.915 -5.584 10.024 1.00 0.00 H new ATOM 0 HH11 ARG A 186 -7.631 -2.957 11.855 1.00 0.00 H new ATOM 0 HH12 ARG A 186 -9.270 -2.915 12.513 1.00 0.00 H new ATOM 0 HH21 ARG A 186 -10.530 -5.205 10.192 1.00 0.00 H new ATOM 0 HH22 ARG A 186 -10.896 -4.175 11.581 1.00 0.00 H new ATOM 612 N ASN A 210 -13.290 1.347 0.541 1.00 0.00 N ATOM 613 CA ASN A 210 -13.301 1.305 2.033 1.00 0.00 C ATOM 614 C ASN A 210 -12.438 0.146 2.539 1.00 0.00 C ATOM 615 O ASN A 210 -12.933 -0.792 3.132 1.00 0.00 O ATOM 616 CB ASN A 210 -14.767 1.080 2.411 1.00 0.00 C ATOM 617 CG ASN A 210 -15.575 2.345 2.114 1.00 0.00 C ATOM 618 OD1 ASN A 210 -16.327 2.390 1.161 1.00 0.00 O ATOM 619 ND2 ASN A 210 -15.452 3.382 2.897 1.00 0.00 N ATOM 0 HA ASN A 210 -12.898 2.217 2.473 1.00 0.00 H new ATOM 0 HB2 ASN A 210 -15.172 0.238 1.850 1.00 0.00 H new ATOM 0 HB3 ASN A 210 -14.845 0.826 3.468 1.00 0.00 H new ATOM 0 HD21 ASN A 210 -15.987 4.230 2.709 1.00 0.00 H new ATOM 0 HD22 ASN A 210 -14.821 3.345 3.697 1.00 0.00 H new ATOM 626 N TYR A 211 -11.154 0.196 2.308 1.00 0.00 N ATOM 627 CA TYR A 211 -10.280 -0.916 2.780 1.00 0.00 C ATOM 628 C TYR A 211 -8.810 -0.492 2.814 1.00 0.00 C ATOM 629 O TYR A 211 -8.362 0.309 2.019 1.00 0.00 O ATOM 630 CB TYR A 211 -10.467 -2.020 1.748 1.00 0.00 C ATOM 631 CG TYR A 211 -11.306 -3.132 2.328 1.00 0.00 C ATOM 632 CD1 TYR A 211 -10.708 -4.118 3.121 1.00 0.00 C ATOM 633 CD2 TYR A 211 -12.681 -3.182 2.066 1.00 0.00 C ATOM 634 CE1 TYR A 211 -11.484 -5.154 3.654 1.00 0.00 C ATOM 635 CE2 TYR A 211 -13.457 -4.219 2.598 1.00 0.00 C ATOM 636 CZ TYR A 211 -12.858 -5.205 3.392 1.00 0.00 C ATOM 637 OH TYR A 211 -13.623 -6.227 3.917 1.00 0.00 O ATOM 0 H TYR A 211 -10.676 0.952 1.817 1.00 0.00 H new ATOM 0 HA TYR A 211 -10.542 -1.226 3.792 1.00 0.00 H new ATOM 0 HB2 TYR A 211 -10.948 -1.618 0.856 1.00 0.00 H new ATOM 0 HB3 TYR A 211 -9.497 -2.409 1.439 1.00 0.00 H new ATOM 0 HD1 TYR A 211 -9.648 -4.080 3.322 1.00 0.00 H new ATOM 0 HD2 TYR A 211 -13.142 -2.421 1.454 1.00 0.00 H new ATOM 0 HE1 TYR A 211 -11.023 -5.914 4.267 1.00 0.00 H new ATOM 0 HE2 TYR A 211 -14.517 -4.258 2.396 1.00 0.00 H new ATOM 0 HH TYR A 211 -14.556 -6.113 3.640 1.00 0.00 H new ATOM 647 N GLU A 212 -8.056 -1.055 3.715 1.00 0.00 N ATOM 648 CA GLU A 212 -6.604 -0.730 3.798 1.00 0.00 C ATOM 649 C GLU A 212 -5.806 -1.961 3.366 1.00 0.00 C ATOM 650 O GLU A 212 -6.373 -2.982 3.038 1.00 0.00 O ATOM 651 CB GLU A 212 -6.349 -0.406 5.271 1.00 0.00 C ATOM 652 CG GLU A 212 -6.100 1.094 5.431 1.00 0.00 C ATOM 653 CD GLU A 212 -6.142 1.466 6.915 1.00 0.00 C ATOM 654 OE1 GLU A 212 -5.812 0.618 7.727 1.00 0.00 O ATOM 655 OE2 GLU A 212 -6.500 2.593 7.212 1.00 0.00 O ATOM 0 H GLU A 212 -8.385 -1.732 4.403 1.00 0.00 H new ATOM 0 HA GLU A 212 -6.311 0.102 3.157 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -7.205 -0.709 5.874 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -5.489 -0.968 5.634 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -5.132 1.359 5.006 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -6.854 1.659 4.883 1.00 0.00 H new ATOM 662 N PHE A 213 -4.507 -1.884 3.357 1.00 0.00 N ATOM 663 CA PHE A 213 -3.708 -3.071 2.934 1.00 0.00 C ATOM 664 C PHE A 213 -2.320 -3.048 3.577 1.00 0.00 C ATOM 665 O PHE A 213 -1.591 -2.085 3.451 1.00 0.00 O ATOM 666 CB PHE A 213 -3.562 -2.934 1.417 1.00 0.00 C ATOM 667 CG PHE A 213 -4.889 -3.164 0.737 1.00 0.00 C ATOM 668 CD1 PHE A 213 -5.261 -4.457 0.351 1.00 0.00 C ATOM 669 CD2 PHE A 213 -5.738 -2.083 0.477 1.00 0.00 C ATOM 670 CE1 PHE A 213 -6.483 -4.669 -0.293 1.00 0.00 C ATOM 671 CE2 PHE A 213 -6.960 -2.294 -0.171 1.00 0.00 C ATOM 672 CZ PHE A 213 -7.333 -3.587 -0.555 1.00 0.00 C ATOM 0 H PHE A 213 -3.965 -1.061 3.621 1.00 0.00 H new ATOM 0 HA PHE A 213 -4.191 -4.002 3.231 1.00 0.00 H new ATOM 0 HB2 PHE A 213 -3.187 -1.941 1.170 1.00 0.00 H new ATOM 0 HB3 PHE A 213 -2.829 -3.652 1.050 1.00 0.00 H new ATOM 0 HD1 PHE A 213 -4.604 -5.290 0.551 1.00 0.00 H new ATOM 0 HD2 PHE A 213 -5.450 -1.086 0.776 1.00 0.00 H new ATOM 0 HE1 PHE A 213 -6.772 -5.667 -0.589 1.00 0.00 H new ATOM 0 HE2 PHE A 213 -7.615 -1.460 -0.375 1.00 0.00 H new ATOM 0 HZ PHE A 213 -8.277 -3.751 -1.054 1.00 0.00 H new ATOM 682 N LEU A 214 -1.929 -4.105 4.234 1.00 0.00 N ATOM 683 CA LEU A 214 -0.567 -4.117 4.832 1.00 0.00 C ATOM 684 C LEU A 214 0.438 -4.200 3.700 1.00 0.00 C ATOM 685 O LEU A 214 0.531 -5.196 3.008 1.00 0.00 O ATOM 686 CB LEU A 214 -0.499 -5.368 5.706 1.00 0.00 C ATOM 687 CG LEU A 214 0.724 -5.325 6.638 1.00 0.00 C ATOM 688 CD1 LEU A 214 1.003 -3.899 7.118 1.00 0.00 C ATOM 689 CD2 LEU A 214 0.452 -6.225 7.843 1.00 0.00 C ATOM 0 H LEU A 214 -2.484 -4.948 4.381 1.00 0.00 H new ATOM 0 HA LEU A 214 -0.353 -3.227 5.424 1.00 0.00 H new ATOM 0 HB2 LEU A 214 -1.410 -5.451 6.299 1.00 0.00 H new ATOM 0 HB3 LEU A 214 -0.448 -6.255 5.074 1.00 0.00 H new ATOM 0 HG LEU A 214 1.599 -5.674 6.089 1.00 0.00 H new ATOM 0 HD11 LEU A 214 1.873 -3.900 7.775 1.00 0.00 H new ATOM 0 HD12 LEU A 214 1.198 -3.257 6.259 1.00 0.00 H new ATOM 0 HD13 LEU A 214 0.137 -3.523 7.663 1.00 0.00 H new ATOM 0 HD21 LEU A 214 1.311 -6.205 8.514 1.00 0.00 H new ATOM 0 HD22 LEU A 214 -0.430 -5.867 8.373 1.00 0.00 H new ATOM 0 HD23 LEU A 214 0.281 -7.246 7.503 1.00 0.00 H new ATOM 701 N ILE A 215 1.162 -3.154 3.475 1.00 0.00 N ATOM 702 CA ILE A 215 2.126 -3.162 2.352 1.00 0.00 C ATOM 703 C ILE A 215 3.546 -3.480 2.814 1.00 0.00 C ATOM 704 O ILE A 215 4.204 -2.664 3.423 1.00 0.00 O ATOM 705 CB ILE A 215 2.072 -1.746 1.803 1.00 0.00 C ATOM 706 CG1 ILE A 215 0.617 -1.306 1.630 1.00 0.00 C ATOM 707 CG2 ILE A 215 2.785 -1.719 0.460 1.00 0.00 C ATOM 708 CD1 ILE A 215 -0.137 -2.342 0.802 1.00 0.00 C ATOM 0 H ILE A 215 1.130 -2.292 4.019 1.00 0.00 H new ATOM 0 HA ILE A 215 1.871 -3.926 1.618 1.00 0.00 H new ATOM 0 HB ILE A 215 2.560 -1.061 2.497 1.00 0.00 H new ATOM 0 HG12 ILE A 215 0.143 -1.190 2.605 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.577 -0.334 1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 215 2.755 -0.709 0.052 1.00 0.00 H new ATOM 0 HG22 ILE A 215 3.822 -2.026 0.593 1.00 0.00 H new ATOM 0 HG23 ILE A 215 2.289 -2.403 -0.229 1.00 0.00 H new ATOM 0 HD11 ILE A 215 -1.173 -2.026 0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.331 -2.436 -0.178 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.109 -3.305 1.311 1.00 0.00 H new ATOM 720 N LYS A 216 4.043 -4.642 2.491 1.00 0.00 N ATOM 721 CA LYS A 216 5.446 -4.967 2.872 1.00 0.00 C ATOM 722 C LYS A 216 6.384 -4.217 1.919 1.00 0.00 C ATOM 723 O LYS A 216 6.570 -4.609 0.785 1.00 0.00 O ATOM 724 CB LYS A 216 5.594 -6.482 2.689 1.00 0.00 C ATOM 725 CG LYS A 216 7.080 -6.842 2.635 1.00 0.00 C ATOM 726 CD LYS A 216 7.374 -7.951 3.645 1.00 0.00 C ATOM 727 CE LYS A 216 7.060 -9.310 3.017 1.00 0.00 C ATOM 728 NZ LYS A 216 7.163 -10.288 4.136 1.00 0.00 N ATOM 0 H LYS A 216 3.544 -5.374 1.985 1.00 0.00 H new ATOM 0 HA LYS A 216 5.686 -4.679 3.895 1.00 0.00 H new ATOM 0 HB2 LYS A 216 5.110 -7.008 3.512 1.00 0.00 H new ATOM 0 HB3 LYS A 216 5.098 -6.799 1.772 1.00 0.00 H new ATOM 0 HG2 LYS A 216 7.349 -7.170 1.631 1.00 0.00 H new ATOM 0 HG3 LYS A 216 7.686 -5.964 2.857 1.00 0.00 H new ATOM 0 HD2 LYS A 216 8.420 -7.912 3.949 1.00 0.00 H new ATOM 0 HD3 LYS A 216 6.775 -7.807 4.544 1.00 0.00 H new ATOM 0 HE2 LYS A 216 6.063 -9.319 2.576 1.00 0.00 H new ATOM 0 HE3 LYS A 216 7.764 -9.548 2.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 216 7.742 -11.098 3.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 216 7.606 -9.830 4.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 216 6.212 -10.620 4.396 1.00 0.00 H new ATOM 742 N TRP A 217 6.954 -3.127 2.354 1.00 0.00 N ATOM 743 CA TRP A 217 7.853 -2.357 1.447 1.00 0.00 C ATOM 744 C TRP A 217 9.274 -2.930 1.477 1.00 0.00 C ATOM 745 O TRP A 217 9.470 -4.125 1.575 1.00 0.00 O ATOM 746 CB TRP A 217 7.835 -0.927 1.989 1.00 0.00 C ATOM 747 CG TRP A 217 6.424 -0.431 2.047 1.00 0.00 C ATOM 748 CD1 TRP A 217 5.601 -0.559 3.112 1.00 0.00 C ATOM 749 CD2 TRP A 217 5.656 0.262 1.016 1.00 0.00 C ATOM 750 NE1 TRP A 217 4.386 0.022 2.811 1.00 0.00 N ATOM 751 CE2 TRP A 217 4.365 0.536 1.529 1.00 0.00 C ATOM 752 CE3 TRP A 217 5.949 0.679 -0.297 1.00 0.00 C ATOM 753 CZ2 TRP A 217 3.398 1.196 0.768 1.00 0.00 C ATOM 754 CZ3 TRP A 217 4.977 1.344 -1.065 1.00 0.00 C ATOM 755 CH2 TRP A 217 3.705 1.600 -0.533 1.00 0.00 C ATOM 0 H TRP A 217 6.838 -2.738 3.290 1.00 0.00 H new ATOM 0 HA TRP A 217 7.523 -2.404 0.409 1.00 0.00 H new ATOM 0 HB2 TRP A 217 8.283 -0.898 2.982 1.00 0.00 H new ATOM 0 HB3 TRP A 217 8.434 -0.278 1.350 1.00 0.00 H new ATOM 0 HD1 TRP A 217 5.853 -1.038 4.046 1.00 0.00 H new ATOM 0 HE1 TRP A 217 3.598 0.067 3.457 1.00 0.00 H new ATOM 0 HE3 TRP A 217 6.926 0.487 -0.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 217 2.420 1.393 1.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 217 5.211 1.660 -2.071 1.00 0.00 H new ATOM 0 HH2 TRP A 217 2.963 2.110 -1.129 1.00 0.00 H new ATOM 871 N ASN A 225 7.006 -3.552 6.914 1.00 0.00 N ATOM 872 CA ASN A 225 5.590 -3.560 6.447 1.00 0.00 C ATOM 873 C ASN A 225 4.801 -2.433 7.111 1.00 0.00 C ATOM 874 O ASN A 225 5.134 -1.968 8.184 1.00 0.00 O ATOM 875 CB ASN A 225 5.041 -4.921 6.876 1.00 0.00 C ATOM 876 CG ASN A 225 5.109 -5.041 8.399 1.00 0.00 C ATOM 877 OD1 ASN A 225 4.079 -5.506 9.053 1.00 0.00 O flip ATOM 878 ND2 ASN A 225 6.111 -4.711 9.002 1.00 0.00 N flip ATOM 0 HA ASN A 225 5.512 -3.406 5.371 1.00 0.00 H new ATOM 0 HB2 ASN A 225 4.011 -5.033 6.537 1.00 0.00 H new ATOM 0 HB3 ASN A 225 5.618 -5.721 6.411 1.00 0.00 H new ATOM 0 HD21 ASN A 225 6.916 -4.348 8.492 1.00 0.00 H new ATOM 0 HD22 ASN A 225 6.147 -4.797 10.018 1.00 0.00 H new ATOM 885 N THR A 226 3.750 -2.000 6.478 1.00 0.00 N ATOM 886 CA THR A 226 2.916 -0.913 7.051 1.00 0.00 C ATOM 887 C THR A 226 1.509 -1.019 6.474 1.00 0.00 C ATOM 888 O THR A 226 1.290 -1.675 5.474 1.00 0.00 O ATOM 889 CB THR A 226 3.582 0.391 6.612 1.00 0.00 C ATOM 890 OG1 THR A 226 3.622 0.448 5.193 1.00 0.00 O ATOM 891 CG2 THR A 226 5.006 0.455 7.168 1.00 0.00 C ATOM 0 H THR A 226 3.430 -2.357 5.578 1.00 0.00 H new ATOM 0 HA THR A 226 2.839 -0.966 8.137 1.00 0.00 H new ATOM 0 HB THR A 226 3.009 1.236 6.994 1.00 0.00 H new ATOM 0 HG1 THR A 226 4.449 0.031 4.872 1.00 0.00 H new ATOM 0 HG21 THR A 226 5.478 1.386 6.853 1.00 0.00 H new ATOM 0 HG22 THR A 226 4.974 0.415 8.257 1.00 0.00 H new ATOM 0 HG23 THR A 226 5.582 -0.390 6.791 1.00 0.00 H new ATOM 899 N TRP A 227 0.551 -0.394 7.085 1.00 0.00 N ATOM 900 CA TRP A 227 -0.831 -0.485 6.551 1.00 0.00 C ATOM 901 C TRP A 227 -1.174 0.773 5.757 1.00 0.00 C ATOM 902 O TRP A 227 -1.603 1.772 6.300 1.00 0.00 O ATOM 903 CB TRP A 227 -1.715 -0.641 7.782 1.00 0.00 C ATOM 904 CG TRP A 227 -1.668 -2.070 8.206 1.00 0.00 C ATOM 905 CD1 TRP A 227 -0.718 -2.619 8.999 1.00 0.00 C ATOM 906 CD2 TRP A 227 -2.576 -3.147 7.848 1.00 0.00 C ATOM 907 NE1 TRP A 227 -0.993 -3.965 9.156 1.00 0.00 N ATOM 908 CE2 TRP A 227 -2.130 -4.337 8.466 1.00 0.00 C ATOM 909 CE3 TRP A 227 -3.737 -3.206 7.056 1.00 0.00 C ATOM 910 CZ2 TRP A 227 -2.810 -5.542 8.303 1.00 0.00 C ATOM 911 CZ3 TRP A 227 -4.421 -4.419 6.890 1.00 0.00 C ATOM 912 CH2 TRP A 227 -3.956 -5.585 7.514 1.00 0.00 C ATOM 0 H TRP A 227 0.661 0.173 7.926 1.00 0.00 H new ATOM 0 HA TRP A 227 -0.965 -1.318 5.862 1.00 0.00 H new ATOM 0 HB2 TRP A 227 -1.366 0.007 8.586 1.00 0.00 H new ATOM 0 HB3 TRP A 227 -2.739 -0.344 7.556 1.00 0.00 H new ATOM 0 HD1 TRP A 227 0.117 -2.092 9.437 1.00 0.00 H new ATOM 0 HE1 TRP A 227 -0.426 -4.604 9.713 1.00 0.00 H new ATOM 0 HE3 TRP A 227 -4.104 -2.312 6.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 227 -2.450 -6.438 8.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 227 -5.310 -4.455 6.278 1.00 0.00 H new ATOM 0 HH2 TRP A 227 -4.487 -6.516 7.383 1.00 0.00 H new ATOM 923 N GLU A 228 -0.977 0.726 4.468 1.00 0.00 N ATOM 924 CA GLU A 228 -1.278 1.909 3.619 1.00 0.00 C ATOM 925 C GLU A 228 -2.647 1.755 2.956 1.00 0.00 C ATOM 926 O GLU A 228 -3.396 0.844 3.251 1.00 0.00 O ATOM 927 CB GLU A 228 -0.173 1.926 2.561 1.00 0.00 C ATOM 928 CG GLU A 228 1.183 1.705 3.233 1.00 0.00 C ATOM 929 CD GLU A 228 2.092 2.904 2.955 1.00 0.00 C ATOM 930 OE1 GLU A 228 2.074 3.389 1.835 1.00 0.00 O ATOM 931 OE2 GLU A 228 2.791 3.317 3.865 1.00 0.00 O ATOM 0 H GLU A 228 -0.619 -0.086 3.966 1.00 0.00 H new ATOM 0 HA GLU A 228 -1.309 2.833 4.197 1.00 0.00 H new ATOM 0 HB2 GLU A 228 -0.354 1.148 1.819 1.00 0.00 H new ATOM 0 HB3 GLU A 228 -0.177 2.879 2.031 1.00 0.00 H new ATOM 0 HG2 GLU A 228 1.052 1.576 4.307 1.00 0.00 H new ATOM 0 HG3 GLU A 228 1.643 0.791 2.856 1.00 0.00 H new ATOM 938 N THR A 229 -2.972 2.639 2.057 1.00 0.00 N ATOM 939 CA THR A 229 -4.282 2.557 1.360 1.00 0.00 C ATOM 940 C THR A 229 -4.084 2.922 -0.108 1.00 0.00 C ATOM 941 O THR A 229 -3.176 3.651 -0.452 1.00 0.00 O ATOM 942 CB THR A 229 -5.165 3.591 2.054 1.00 0.00 C ATOM 943 OG1 THR A 229 -4.369 4.695 2.462 1.00 0.00 O ATOM 944 CG2 THR A 229 -5.824 2.957 3.275 1.00 0.00 C ATOM 0 H THR A 229 -2.381 3.421 1.774 1.00 0.00 H new ATOM 0 HA THR A 229 -4.725 1.562 1.400 1.00 0.00 H new ATOM 0 HB THR A 229 -5.935 3.935 1.364 1.00 0.00 H new ATOM 0 HG1 THR A 229 -4.935 5.360 2.906 1.00 0.00 H new ATOM 0 HG21 THR A 229 -6.455 3.694 3.772 1.00 0.00 H new ATOM 0 HG22 THR A 229 -6.434 2.110 2.961 1.00 0.00 H new ATOM 0 HG23 THR A 229 -5.055 2.613 3.966 1.00 0.00 H new ATOM 952 N TYR A 230 -4.912 2.426 -0.978 1.00 0.00 N ATOM 953 CA TYR A 230 -4.741 2.759 -2.419 1.00 0.00 C ATOM 954 C TYR A 230 -4.471 4.256 -2.583 1.00 0.00 C ATOM 955 O TYR A 230 -3.697 4.672 -3.423 1.00 0.00 O ATOM 956 CB TYR A 230 -6.071 2.393 -3.081 1.00 0.00 C ATOM 957 CG TYR A 230 -6.066 0.950 -3.521 1.00 0.00 C ATOM 958 CD1 TYR A 230 -5.939 -0.072 -2.575 1.00 0.00 C ATOM 959 CD2 TYR A 230 -6.200 0.635 -4.878 1.00 0.00 C ATOM 960 CE1 TYR A 230 -5.946 -1.410 -2.985 1.00 0.00 C ATOM 961 CE2 TYR A 230 -6.209 -0.703 -5.290 1.00 0.00 C ATOM 962 CZ TYR A 230 -6.082 -1.725 -4.343 1.00 0.00 C ATOM 963 OH TYR A 230 -6.093 -3.044 -4.749 1.00 0.00 O ATOM 0 H TYR A 230 -5.694 1.809 -0.759 1.00 0.00 H new ATOM 0 HA TYR A 230 -3.902 2.223 -2.864 1.00 0.00 H new ATOM 0 HB2 TYR A 230 -6.890 2.563 -2.382 1.00 0.00 H new ATOM 0 HB3 TYR A 230 -6.246 3.040 -3.940 1.00 0.00 H new ATOM 0 HD1 TYR A 230 -5.836 0.171 -1.528 1.00 0.00 H new ATOM 0 HD2 TYR A 230 -6.297 1.425 -5.608 1.00 0.00 H new ATOM 0 HE1 TYR A 230 -5.847 -2.199 -2.255 1.00 0.00 H new ATOM 0 HE2 TYR A 230 -6.314 -0.946 -6.337 1.00 0.00 H new ATOM 0 HH TYR A 230 -6.526 -3.594 -4.063 1.00 0.00 H new ATOM 973 N GLU A 231 -5.110 5.067 -1.788 1.00 0.00 N ATOM 974 CA GLU A 231 -4.904 6.541 -1.891 1.00 0.00 C ATOM 975 C GLU A 231 -3.467 6.906 -1.513 1.00 0.00 C ATOM 976 O GLU A 231 -3.039 8.032 -1.677 1.00 0.00 O ATOM 977 CB GLU A 231 -5.893 7.145 -0.893 1.00 0.00 C ATOM 978 CG GLU A 231 -5.669 8.654 -0.800 1.00 0.00 C ATOM 979 CD GLU A 231 -7.014 9.376 -0.897 1.00 0.00 C ATOM 980 OE1 GLU A 231 -7.465 9.598 -2.009 1.00 0.00 O ATOM 981 OE2 GLU A 231 -7.570 9.692 0.141 1.00 0.00 O ATOM 0 H GLU A 231 -5.769 4.773 -1.068 1.00 0.00 H new ATOM 0 HA GLU A 231 -5.065 6.912 -2.903 1.00 0.00 H new ATOM 0 HB2 GLU A 231 -6.916 6.938 -1.208 1.00 0.00 H new ATOM 0 HB3 GLU A 231 -5.762 6.686 0.087 1.00 0.00 H new ATOM 0 HG2 GLU A 231 -5.178 8.902 0.141 1.00 0.00 H new ATOM 0 HG3 GLU A 231 -5.008 8.984 -1.601 1.00 0.00 H new ATOM 988 N SER A 232 -2.719 5.965 -1.009 1.00 0.00 N ATOM 989 CA SER A 232 -1.308 6.262 -0.622 1.00 0.00 C ATOM 990 C SER A 232 -0.357 5.281 -1.311 1.00 0.00 C ATOM 991 O SER A 232 0.829 5.522 -1.422 1.00 0.00 O ATOM 992 CB SER A 232 -1.267 6.074 0.894 1.00 0.00 C ATOM 993 OG SER A 232 -0.038 6.584 1.397 1.00 0.00 O ATOM 0 H SER A 232 -3.021 5.004 -0.848 1.00 0.00 H new ATOM 0 HA SER A 232 -0.999 7.265 -0.916 1.00 0.00 H new ATOM 0 HB2 SER A 232 -2.106 6.591 1.359 1.00 0.00 H new ATOM 0 HB3 SER A 232 -1.365 5.018 1.144 1.00 0.00 H new ATOM 0 HG SER A 232 -0.009 6.467 2.369 1.00 0.00 H new ATOM 999 N ILE A 233 -0.871 4.176 -1.772 1.00 0.00 N ATOM 1000 CA ILE A 233 -0.010 3.169 -2.456 1.00 0.00 C ATOM 1001 C ILE A 233 -0.529 2.954 -3.884 1.00 0.00 C ATOM 1002 O ILE A 233 -0.126 2.041 -4.576 1.00 0.00 O ATOM 1003 CB ILE A 233 -0.097 1.878 -1.590 1.00 0.00 C ATOM 1004 CG1 ILE A 233 -0.318 0.636 -2.468 1.00 0.00 C ATOM 1005 CG2 ILE A 233 -1.240 1.966 -0.573 1.00 0.00 C ATOM 1006 CD1 ILE A 233 -0.662 -0.564 -1.580 1.00 0.00 C ATOM 0 H ILE A 233 -1.857 3.924 -1.704 1.00 0.00 H new ATOM 0 HA ILE A 233 1.030 3.484 -2.546 1.00 0.00 H new ATOM 0 HB ILE A 233 0.852 1.789 -1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 233 -1.124 0.819 -3.179 1.00 0.00 H new ATOM 0 HG13 ILE A 233 0.579 0.425 -3.051 1.00 0.00 H new ATOM 0 HG21 ILE A 233 -1.274 1.049 0.016 1.00 0.00 H new ATOM 0 HG22 ILE A 233 -1.074 2.816 0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 233 -2.186 2.095 -1.099 1.00 0.00 H new ATOM 0 HD11 ILE A 233 -0.819 -1.445 -2.203 1.00 0.00 H new ATOM 0 HD12 ILE A 233 0.158 -0.751 -0.887 1.00 0.00 H new ATOM 0 HD13 ILE A 233 -1.571 -0.351 -1.017 1.00 0.00 H new ATOM 1018 N GLY A 234 -1.421 3.797 -4.329 1.00 0.00 N ATOM 1019 CA GLY A 234 -1.964 3.643 -5.705 1.00 0.00 C ATOM 1020 C GLY A 234 -1.119 4.444 -6.697 1.00 0.00 C ATOM 1021 O GLY A 234 -1.638 5.171 -7.520 1.00 0.00 O ATOM 0 H GLY A 234 -1.795 4.584 -3.799 1.00 0.00 H new ATOM 0 HA2 GLY A 234 -1.969 2.590 -5.987 1.00 0.00 H new ATOM 0 HA3 GLY A 234 -2.998 3.986 -5.737 1.00 0.00 H new ATOM 1025 N GLN A 235 0.179 4.316 -6.635 1.00 0.00 N ATOM 1026 CA GLN A 235 1.041 5.073 -7.588 1.00 0.00 C ATOM 1027 C GLN A 235 2.517 4.701 -7.391 1.00 0.00 C ATOM 1028 O GLN A 235 3.390 5.543 -7.436 1.00 0.00 O ATOM 1029 CB GLN A 235 0.809 6.546 -7.247 1.00 0.00 C ATOM 1030 CG GLN A 235 1.126 6.783 -5.768 1.00 0.00 C ATOM 1031 CD GLN A 235 1.554 8.237 -5.559 1.00 0.00 C ATOM 1032 OE1 GLN A 235 2.355 8.528 -4.693 1.00 0.00 O ATOM 1033 NE2 GLN A 235 1.052 9.170 -6.321 1.00 0.00 N ATOM 0 H GLN A 235 0.677 3.724 -5.970 1.00 0.00 H new ATOM 0 HA GLN A 235 0.798 4.850 -8.627 1.00 0.00 H new ATOM 0 HB2 GLN A 235 1.440 7.179 -7.871 1.00 0.00 H new ATOM 0 HB3 GLN A 235 -0.225 6.821 -7.457 1.00 0.00 H new ATOM 0 HG2 GLN A 235 0.250 6.560 -5.158 1.00 0.00 H new ATOM 0 HG3 GLN A 235 1.920 6.110 -5.444 1.00 0.00 H new ATOM 0 HE21 GLN A 235 0.379 8.927 -7.048 1.00 0.00 H new ATOM 0 HE22 GLN A 235 1.332 10.142 -6.189 1.00 0.00 H new ATOM 1042 N VAL A 236 2.797 3.444 -7.179 1.00 0.00 N ATOM 1043 CA VAL A 236 4.211 3.009 -6.986 1.00 0.00 C ATOM 1044 C VAL A 236 4.321 1.505 -7.237 1.00 0.00 C ATOM 1045 O VAL A 236 4.992 0.793 -6.517 1.00 0.00 O ATOM 1046 CB VAL A 236 4.539 3.327 -5.526 1.00 0.00 C ATOM 1047 CG1 VAL A 236 4.770 4.830 -5.365 1.00 0.00 C ATOM 1048 CG2 VAL A 236 3.372 2.892 -4.634 1.00 0.00 C ATOM 0 H VAL A 236 2.105 2.696 -7.131 1.00 0.00 H new ATOM 0 HA VAL A 236 4.896 3.510 -7.670 1.00 0.00 H new ATOM 0 HB VAL A 236 5.441 2.790 -5.234 1.00 0.00 H new ATOM 0 HG11 VAL A 236 5.003 5.053 -4.324 1.00 0.00 H new ATOM 0 HG12 VAL A 236 5.602 5.140 -5.998 1.00 0.00 H new ATOM 0 HG13 VAL A 236 3.870 5.370 -5.659 1.00 0.00 H new ATOM 0 HG21 VAL A 236 3.605 3.118 -3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 236 2.470 3.428 -4.928 1.00 0.00 H new ATOM 0 HG23 VAL A 236 3.210 1.820 -4.744 1.00 0.00 H new ATOM 1058 N ARG A 237 3.640 1.015 -8.242 1.00 0.00 N ATOM 1059 CA ARG A 237 3.673 -0.450 -8.536 1.00 0.00 C ATOM 1060 C ARG A 237 2.856 -1.204 -7.479 1.00 0.00 C ATOM 1061 O ARG A 237 2.716 -2.415 -7.525 1.00 0.00 O ATOM 1062 CB ARG A 237 5.150 -0.851 -8.472 1.00 0.00 C ATOM 1063 CG ARG A 237 5.507 -1.685 -9.703 1.00 0.00 C ATOM 1064 CD ARG A 237 6.132 -0.782 -10.769 1.00 0.00 C ATOM 1065 NE ARG A 237 6.405 -1.683 -11.922 1.00 0.00 N ATOM 1066 CZ ARG A 237 7.377 -1.409 -12.749 1.00 0.00 C ATOM 1067 NH1 ARG A 237 7.162 -0.626 -13.771 1.00 0.00 N ATOM 1068 NH2 ARG A 237 8.562 -1.918 -12.554 1.00 0.00 N ATOM 0 H ARG A 237 3.061 1.568 -8.873 1.00 0.00 H new ATOM 0 HA ARG A 237 3.243 -0.688 -9.509 1.00 0.00 H new ATOM 0 HB2 ARG A 237 5.778 0.039 -8.428 1.00 0.00 H new ATOM 0 HB3 ARG A 237 5.343 -1.422 -7.564 1.00 0.00 H new ATOM 0 HG2 ARG A 237 6.203 -2.477 -9.429 1.00 0.00 H new ATOM 0 HG3 ARG A 237 4.614 -2.168 -10.099 1.00 0.00 H new ATOM 0 HD2 ARG A 237 5.455 0.025 -11.050 1.00 0.00 H new ATOM 0 HD3 ARG A 237 7.048 -0.317 -10.405 1.00 0.00 H new ATOM 0 HE ARG A 237 5.832 -2.515 -12.066 1.00 0.00 H new ATOM 0 HH11 ARG A 237 6.235 -0.229 -13.923 1.00 0.00 H new ATOM 0 HH12 ARG A 237 7.921 -0.411 -14.418 1.00 0.00 H new ATOM 0 HH21 ARG A 237 8.729 -2.530 -11.755 1.00 0.00 H new ATOM 0 HH22 ARG A 237 9.322 -1.704 -13.200 1.00 0.00 H new ATOM 1082 N GLY A 238 2.304 -0.492 -6.530 1.00 0.00 N ATOM 1083 CA GLY A 238 1.493 -1.150 -5.477 1.00 0.00 C ATOM 1084 C GLY A 238 0.242 -1.743 -6.110 1.00 0.00 C ATOM 1085 O GLY A 238 0.025 -2.931 -6.073 1.00 0.00 O ATOM 0 H GLY A 238 2.384 0.521 -6.444 1.00 0.00 H new ATOM 0 HA2 GLY A 238 2.074 -1.932 -4.988 1.00 0.00 H new ATOM 0 HA3 GLY A 238 1.219 -0.428 -4.707 1.00 0.00 H new ATOM 1089 N LEU A 239 -0.580 -0.923 -6.694 1.00 0.00 N ATOM 1090 CA LEU A 239 -1.822 -1.443 -7.329 1.00 0.00 C ATOM 1091 C LEU A 239 -1.534 -2.731 -8.099 1.00 0.00 C ATOM 1092 O LEU A 239 -2.362 -3.611 -8.165 1.00 0.00 O ATOM 1093 CB LEU A 239 -2.275 -0.333 -8.279 1.00 0.00 C ATOM 1094 CG LEU A 239 -2.666 0.898 -7.466 1.00 0.00 C ATOM 1095 CD1 LEU A 239 -2.269 2.161 -8.234 1.00 0.00 C ATOM 1096 CD2 LEU A 239 -4.178 0.899 -7.233 1.00 0.00 C ATOM 0 H LEU A 239 -0.447 0.086 -6.760 1.00 0.00 H new ATOM 0 HA LEU A 239 -2.588 -1.688 -6.593 1.00 0.00 H new ATOM 0 HB2 LEU A 239 -1.473 -0.084 -8.974 1.00 0.00 H new ATOM 0 HB3 LEU A 239 -3.121 -0.673 -8.876 1.00 0.00 H new ATOM 0 HG LEU A 239 -2.151 0.877 -6.505 1.00 0.00 H new ATOM 0 HD11 LEU A 239 -2.547 3.042 -7.655 1.00 0.00 H new ATOM 0 HD12 LEU A 239 -1.192 2.162 -8.401 1.00 0.00 H new ATOM 0 HD13 LEU A 239 -2.785 2.180 -9.194 1.00 0.00 H new ATOM 0 HD21 LEU A 239 -4.456 1.779 -6.652 1.00 0.00 H new ATOM 0 HD22 LEU A 239 -4.694 0.920 -8.193 1.00 0.00 H new ATOM 0 HD23 LEU A 239 -4.463 -0.001 -6.688 1.00 0.00 H new ATOM 1108 N LYS A 240 -0.375 -2.859 -8.677 1.00 0.00 N ATOM 1109 CA LYS A 240 -0.070 -4.109 -9.427 1.00 0.00 C ATOM 1110 C LYS A 240 0.012 -5.282 -8.455 1.00 0.00 C ATOM 1111 O LYS A 240 -0.748 -6.226 -8.541 1.00 0.00 O ATOM 1112 CB LYS A 240 1.283 -3.866 -10.087 1.00 0.00 C ATOM 1113 CG LYS A 240 1.841 -5.190 -10.610 1.00 0.00 C ATOM 1114 CD LYS A 240 0.875 -5.780 -11.640 1.00 0.00 C ATOM 1115 CE LYS A 240 1.659 -6.620 -12.650 1.00 0.00 C ATOM 1116 NZ LYS A 240 0.629 -7.425 -13.362 1.00 0.00 N ATOM 0 H LYS A 240 0.369 -2.161 -8.664 1.00 0.00 H new ATOM 0 HA LYS A 240 -0.837 -4.348 -10.164 1.00 0.00 H new ATOM 0 HB2 LYS A 240 1.177 -3.155 -10.906 1.00 0.00 H new ATOM 0 HB3 LYS A 240 1.975 -3.425 -9.370 1.00 0.00 H new ATOM 0 HG2 LYS A 240 2.820 -5.031 -11.063 1.00 0.00 H new ATOM 0 HG3 LYS A 240 1.981 -5.889 -9.785 1.00 0.00 H new ATOM 0 HD2 LYS A 240 0.126 -6.396 -11.142 1.00 0.00 H new ATOM 0 HD3 LYS A 240 0.340 -4.981 -12.153 1.00 0.00 H new ATOM 0 HE2 LYS A 240 2.214 -5.988 -13.343 1.00 0.00 H new ATOM 0 HE3 LYS A 240 2.386 -7.261 -12.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 1.090 -8.028 -14.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 0.121 -8.022 -12.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 -0.045 -6.788 -13.833 1.00 0.00 H new ATOM 1130 N ARG A 241 0.915 -5.222 -7.516 1.00 0.00 N ATOM 1131 CA ARG A 241 1.022 -6.332 -6.528 1.00 0.00 C ATOM 1132 C ARG A 241 -0.208 -6.296 -5.621 1.00 0.00 C ATOM 1133 O ARG A 241 -0.667 -7.307 -5.126 1.00 0.00 O ATOM 1134 CB ARG A 241 2.293 -6.039 -5.736 1.00 0.00 C ATOM 1135 CG ARG A 241 3.489 -6.707 -6.416 1.00 0.00 C ATOM 1136 CD ARG A 241 4.786 -6.147 -5.826 1.00 0.00 C ATOM 1137 NE ARG A 241 5.875 -6.898 -6.509 1.00 0.00 N ATOM 1138 CZ ARG A 241 6.874 -7.375 -5.815 1.00 0.00 C ATOM 1139 NH1 ARG A 241 7.909 -6.621 -5.560 1.00 0.00 N ATOM 1140 NH2 ARG A 241 6.837 -8.603 -5.379 1.00 0.00 N ATOM 0 H ARG A 241 1.579 -4.458 -7.390 1.00 0.00 H new ATOM 0 HA ARG A 241 1.067 -7.319 -6.989 1.00 0.00 H new ATOM 0 HB2 ARG A 241 2.453 -4.963 -5.672 1.00 0.00 H new ATOM 0 HB3 ARG A 241 2.190 -6.407 -4.715 1.00 0.00 H new ATOM 0 HG2 ARG A 241 3.447 -7.787 -6.272 1.00 0.00 H new ATOM 0 HG3 ARG A 241 3.458 -6.527 -7.491 1.00 0.00 H new ATOM 0 HD2 ARG A 241 4.872 -5.076 -6.007 1.00 0.00 H new ATOM 0 HD3 ARG A 241 4.823 -6.292 -4.746 1.00 0.00 H new ATOM 0 HE ARG A 241 5.841 -7.040 -7.518 1.00 0.00 H new ATOM 0 HH11 ARG A 241 7.937 -5.661 -5.902 1.00 0.00 H new ATOM 0 HH12 ARG A 241 8.689 -6.992 -5.018 1.00 0.00 H new ATOM 0 HH21 ARG A 241 6.028 -9.191 -5.580 1.00 0.00 H new ATOM 0 HH22 ARG A 241 7.617 -8.976 -4.837 1.00 0.00 H new ATOM 1154 N LEU A 242 -0.753 -5.129 -5.427 1.00 0.00 N ATOM 1155 CA LEU A 242 -1.966 -4.987 -4.586 1.00 0.00 C ATOM 1156 C LEU A 242 -3.154 -5.560 -5.347 1.00 0.00 C ATOM 1157 O LEU A 242 -4.020 -6.200 -4.785 1.00 0.00 O ATOM 1158 CB LEU A 242 -2.122 -3.476 -4.393 1.00 0.00 C ATOM 1159 CG LEU A 242 -2.911 -3.181 -3.114 1.00 0.00 C ATOM 1160 CD1 LEU A 242 -4.104 -4.129 -3.017 1.00 0.00 C ATOM 1161 CD2 LEU A 242 -2.007 -3.372 -1.894 1.00 0.00 C ATOM 0 H LEU A 242 -0.402 -4.257 -5.822 1.00 0.00 H new ATOM 0 HA LEU A 242 -1.901 -5.509 -3.631 1.00 0.00 H new ATOM 0 HB2 LEU A 242 -1.140 -3.006 -4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 242 -2.635 -3.044 -5.252 1.00 0.00 H new ATOM 0 HG LEU A 242 -3.267 -2.151 -3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 242 -4.664 -3.917 -2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 242 -4.752 -3.988 -3.882 1.00 0.00 H new ATOM 0 HD13 LEU A 242 -3.749 -5.159 -2.993 1.00 0.00 H new ATOM 0 HD21 LEU A 242 -2.572 -3.161 -0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 242 -1.646 -4.400 -1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 242 -1.158 -2.691 -1.960 1.00 0.00 H new ATOM 1173 N ASP A 243 -3.187 -5.351 -6.636 1.00 0.00 N ATOM 1174 CA ASP A 243 -4.309 -5.906 -7.445 1.00 0.00 C ATOM 1175 C ASP A 243 -4.240 -7.427 -7.392 1.00 0.00 C ATOM 1176 O ASP A 243 -5.214 -8.096 -7.108 1.00 0.00 O ATOM 1177 CB ASP A 243 -4.084 -5.409 -8.874 1.00 0.00 C ATOM 1178 CG ASP A 243 -4.723 -4.029 -9.043 1.00 0.00 C ATOM 1179 OD1 ASP A 243 -5.568 -3.686 -8.231 1.00 0.00 O ATOM 1180 OD2 ASP A 243 -4.357 -3.338 -9.979 1.00 0.00 O ATOM 0 H ASP A 243 -2.490 -4.823 -7.161 1.00 0.00 H new ATOM 0 HA ASP A 243 -5.286 -5.595 -7.076 1.00 0.00 H new ATOM 0 HB2 ASP A 243 -3.016 -5.355 -9.087 1.00 0.00 H new ATOM 0 HB3 ASP A 243 -4.517 -6.111 -9.587 1.00 0.00 H new ATOM 1185 N ASN A 244 -3.084 -7.979 -7.642 1.00 0.00 N ATOM 1186 CA ASN A 244 -2.948 -9.460 -7.582 1.00 0.00 C ATOM 1187 C ASN A 244 -3.225 -9.925 -6.152 1.00 0.00 C ATOM 1188 O ASN A 244 -3.582 -11.062 -5.911 1.00 0.00 O ATOM 1189 CB ASN A 244 -1.501 -9.749 -7.979 1.00 0.00 C ATOM 1190 CG ASN A 244 -1.196 -11.230 -7.749 1.00 0.00 C ATOM 1191 OD1 ASN A 244 -2.094 -12.021 -7.533 1.00 0.00 O ATOM 1192 ND2 ASN A 244 0.041 -11.644 -7.787 1.00 0.00 N ATOM 0 H ASN A 244 -2.233 -7.471 -7.884 1.00 0.00 H new ATOM 0 HA ASN A 244 -3.646 -9.979 -8.239 1.00 0.00 H new ATOM 0 HB2 ASN A 244 -1.342 -9.492 -9.026 1.00 0.00 H new ATOM 0 HB3 ASN A 244 -0.821 -9.131 -7.392 1.00 0.00 H new ATOM 0 HD21 ASN A 244 0.254 -12.630 -7.636 1.00 0.00 H new ATOM 0 HD22 ASN A 244 0.795 -10.982 -7.968 1.00 0.00 H new ATOM 1199 N TYR A 245 -3.084 -9.044 -5.198 1.00 0.00 N ATOM 1200 CA TYR A 245 -3.366 -9.427 -3.795 1.00 0.00 C ATOM 1201 C TYR A 245 -4.872 -9.358 -3.569 1.00 0.00 C ATOM 1202 O TYR A 245 -5.465 -10.222 -2.956 1.00 0.00 O ATOM 1203 CB TYR A 245 -2.647 -8.391 -2.932 1.00 0.00 C ATOM 1204 CG TYR A 245 -3.170 -8.484 -1.521 1.00 0.00 C ATOM 1205 CD1 TYR A 245 -2.609 -9.405 -0.629 1.00 0.00 C ATOM 1206 CD2 TYR A 245 -4.223 -7.661 -1.108 1.00 0.00 C ATOM 1207 CE1 TYR A 245 -3.100 -9.501 0.677 1.00 0.00 C ATOM 1208 CE2 TYR A 245 -4.717 -7.758 0.197 1.00 0.00 C ATOM 1209 CZ TYR A 245 -4.154 -8.678 1.091 1.00 0.00 C ATOM 1210 OH TYR A 245 -4.638 -8.777 2.377 1.00 0.00 O ATOM 0 H TYR A 245 -2.786 -8.078 -5.335 1.00 0.00 H new ATOM 0 HA TYR A 245 -3.030 -10.436 -3.555 1.00 0.00 H new ATOM 0 HB2 TYR A 245 -1.572 -8.568 -2.948 1.00 0.00 H new ATOM 0 HB3 TYR A 245 -2.811 -7.390 -3.330 1.00 0.00 H new ATOM 0 HD1 TYR A 245 -1.797 -10.041 -0.949 1.00 0.00 H new ATOM 0 HD2 TYR A 245 -4.655 -6.950 -1.797 1.00 0.00 H new ATOM 0 HE1 TYR A 245 -2.666 -10.210 1.366 1.00 0.00 H new ATOM 0 HE2 TYR A 245 -5.532 -7.124 0.515 1.00 0.00 H new ATOM 0 HH TYR A 245 -5.603 -8.609 2.377 1.00 0.00 H new ATOM 1220 N CYS A 246 -5.495 -8.333 -4.079 1.00 0.00 N ATOM 1221 CA CYS A 246 -6.962 -8.199 -3.918 1.00 0.00 C ATOM 1222 C CYS A 246 -7.659 -9.331 -4.667 1.00 0.00 C ATOM 1223 O CYS A 246 -8.709 -9.793 -4.278 1.00 0.00 O ATOM 1224 CB CYS A 246 -7.310 -6.843 -4.533 1.00 0.00 C ATOM 1225 SG CYS A 246 -7.148 -5.551 -3.276 1.00 0.00 S ATOM 0 H CYS A 246 -5.046 -7.581 -4.602 1.00 0.00 H new ATOM 0 HA CYS A 246 -7.280 -8.256 -2.877 1.00 0.00 H new ATOM 0 HB2 CYS A 246 -6.649 -6.632 -5.374 1.00 0.00 H new ATOM 0 HB3 CYS A 246 -8.327 -6.859 -4.924 1.00 0.00 H new ATOM 0 HG CYS A 246 -6.319 -5.944 -2.354 1.00 0.00 H new ATOM 1231 N LYS A 247 -7.071 -9.789 -5.738 1.00 0.00 N ATOM 1232 CA LYS A 247 -7.693 -10.903 -6.501 1.00 0.00 C ATOM 1233 C LYS A 247 -7.358 -12.227 -5.817 1.00 0.00 C ATOM 1234 O LYS A 247 -8.081 -13.197 -5.920 1.00 0.00 O ATOM 1235 CB LYS A 247 -7.086 -10.821 -7.910 1.00 0.00 C ATOM 1236 CG LYS A 247 -5.706 -11.488 -7.941 1.00 0.00 C ATOM 1237 CD LYS A 247 -5.254 -11.652 -9.395 1.00 0.00 C ATOM 1238 CE LYS A 247 -4.957 -13.126 -9.675 1.00 0.00 C ATOM 1239 NZ LYS A 247 -5.260 -13.309 -11.122 1.00 0.00 N ATOM 0 H LYS A 247 -6.190 -9.440 -6.115 1.00 0.00 H new ATOM 0 HA LYS A 247 -8.780 -10.836 -6.547 1.00 0.00 H new ATOM 0 HB2 LYS A 247 -7.748 -11.308 -8.626 1.00 0.00 H new ATOM 0 HB3 LYS A 247 -6.999 -9.778 -8.215 1.00 0.00 H new ATOM 0 HG2 LYS A 247 -4.985 -10.884 -7.390 1.00 0.00 H new ATOM 0 HG3 LYS A 247 -5.748 -12.460 -7.450 1.00 0.00 H new ATOM 0 HD2 LYS A 247 -6.030 -11.292 -10.071 1.00 0.00 H new ATOM 0 HD3 LYS A 247 -4.365 -11.049 -9.581 1.00 0.00 H new ATOM 0 HE2 LYS A 247 -3.917 -13.368 -9.455 1.00 0.00 H new ATOM 0 HE3 LYS A 247 -5.574 -13.778 -9.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 -5.081 -14.297 -11.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 -6.258 -13.077 -11.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 -4.653 -12.680 -11.686 1.00 0.00 H new ATOM 1253 N GLN A 248 -6.266 -12.262 -5.103 1.00 0.00 N ATOM 1254 CA GLN A 248 -5.881 -13.509 -4.390 1.00 0.00 C ATOM 1255 C GLN A 248 -6.388 -13.451 -2.946 1.00 0.00 C ATOM 1256 O GLN A 248 -6.262 -14.396 -2.194 1.00 0.00 O ATOM 1257 CB GLN A 248 -4.352 -13.530 -4.423 1.00 0.00 C ATOM 1258 CG GLN A 248 -3.858 -14.978 -4.422 1.00 0.00 C ATOM 1259 CD GLN A 248 -4.432 -15.719 -5.632 1.00 0.00 C ATOM 1260 OE1 GLN A 248 -4.881 -15.037 -6.652 1.00 0.00 O flip ATOM 1261 NE2 GLN A 248 -4.473 -16.934 -5.651 1.00 0.00 N flip ATOM 0 H GLN A 248 -5.624 -11.478 -4.984 1.00 0.00 H new ATOM 0 HA GLN A 248 -6.305 -14.403 -4.848 1.00 0.00 H new ATOM 0 HB2 GLN A 248 -3.990 -13.012 -5.312 1.00 0.00 H new ATOM 0 HB3 GLN A 248 -3.952 -12.998 -3.560 1.00 0.00 H new ATOM 0 HG2 GLN A 248 -2.769 -15.001 -4.452 1.00 0.00 H new ATOM 0 HG3 GLN A 248 -4.162 -15.476 -3.501 1.00 0.00 H new ATOM 0 HE21 GLN A 248 -4.123 -17.469 -4.856 1.00 0.00 H new ATOM 0 HE22 GLN A 248 -4.857 -17.419 -6.462 1.00 0.00 H new ATOM 1270 N PHE A 249 -6.957 -12.340 -2.553 1.00 0.00 N ATOM 1271 CA PHE A 249 -7.464 -12.219 -1.156 1.00 0.00 C ATOM 1272 C PHE A 249 -8.840 -11.532 -1.115 1.00 0.00 C ATOM 1273 O PHE A 249 -9.546 -11.620 -0.130 1.00 0.00 O ATOM 1274 CB PHE A 249 -6.425 -11.363 -0.429 1.00 0.00 C ATOM 1275 CG PHE A 249 -5.164 -12.169 -0.214 1.00 0.00 C ATOM 1276 CD1 PHE A 249 -5.139 -13.186 0.748 1.00 0.00 C ATOM 1277 CD2 PHE A 249 -4.019 -11.898 -0.975 1.00 0.00 C ATOM 1278 CE1 PHE A 249 -3.971 -13.932 0.950 1.00 0.00 C ATOM 1279 CE2 PHE A 249 -2.852 -12.644 -0.773 1.00 0.00 C ATOM 1280 CZ PHE A 249 -2.828 -13.660 0.189 1.00 0.00 C ATOM 0 H PHE A 249 -7.091 -11.515 -3.138 1.00 0.00 H new ATOM 0 HA PHE A 249 -7.596 -13.198 -0.695 1.00 0.00 H new ATOM 0 HB2 PHE A 249 -6.202 -10.470 -1.013 1.00 0.00 H new ATOM 0 HB3 PHE A 249 -6.822 -11.027 0.529 1.00 0.00 H new ATOM 0 HD1 PHE A 249 -6.021 -13.395 1.335 1.00 0.00 H new ATOM 0 HD2 PHE A 249 -4.037 -11.114 -1.717 1.00 0.00 H new ATOM 0 HE1 PHE A 249 -3.952 -14.716 1.692 1.00 0.00 H new ATOM 0 HE2 PHE A 249 -1.970 -12.435 -1.360 1.00 0.00 H new ATOM 0 HZ PHE A 249 -1.927 -14.235 0.344 1.00 0.00 H new ATOM 1290 N ILE A 250 -9.234 -10.839 -2.157 1.00 0.00 N ATOM 1291 CA ILE A 250 -10.566 -10.159 -2.118 1.00 0.00 C ATOM 1292 C ILE A 250 -11.433 -10.575 -3.315 1.00 0.00 C ATOM 1293 O ILE A 250 -12.645 -10.549 -3.248 1.00 0.00 O ATOM 1294 CB ILE A 250 -10.243 -8.657 -2.157 1.00 0.00 C ATOM 1295 CG1 ILE A 250 -9.989 -8.155 -0.736 1.00 0.00 C ATOM 1296 CG2 ILE A 250 -11.417 -7.874 -2.747 1.00 0.00 C ATOM 1297 CD1 ILE A 250 -8.596 -7.525 -0.661 1.00 0.00 C ATOM 0 H ILE A 250 -8.701 -10.716 -3.018 1.00 0.00 H new ATOM 0 HA ILE A 250 -11.138 -10.428 -1.230 1.00 0.00 H new ATOM 0 HB ILE A 250 -9.359 -8.508 -2.777 1.00 0.00 H new ATOM 0 HG12 ILE A 250 -10.747 -7.423 -0.456 1.00 0.00 H new ATOM 0 HG13 ILE A 250 -10.066 -8.980 -0.028 1.00 0.00 H new ATOM 0 HG21 ILE A 250 -11.172 -6.812 -2.768 1.00 0.00 H new ATOM 0 HG22 ILE A 250 -11.613 -8.221 -3.762 1.00 0.00 H new ATOM 0 HG23 ILE A 250 -12.304 -8.030 -2.133 1.00 0.00 H new ATOM 0 HD11 ILE A 250 -8.413 -7.166 0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 250 -7.845 -8.270 -0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 250 -8.537 -6.689 -1.358 1.00 0.00 H new ATOM 1309 N ILE A 251 -10.831 -10.953 -4.407 1.00 0.00 N ATOM 1310 CA ILE A 251 -11.642 -11.360 -5.594 1.00 0.00 C ATOM 1311 C ILE A 251 -11.080 -12.654 -6.194 1.00 0.00 C ATOM 1312 O ILE A 251 -10.371 -13.393 -5.540 1.00 0.00 O ATOM 1313 CB ILE A 251 -11.522 -10.201 -6.594 1.00 0.00 C ATOM 1314 CG1 ILE A 251 -11.451 -8.864 -5.847 1.00 0.00 C ATOM 1315 CG2 ILE A 251 -12.747 -10.190 -7.511 1.00 0.00 C ATOM 1316 CD1 ILE A 251 -11.318 -7.722 -6.857 1.00 0.00 C ATOM 0 H ILE A 251 -9.820 -10.999 -4.532 1.00 0.00 H new ATOM 0 HA ILE A 251 -12.682 -11.553 -5.333 1.00 0.00 H new ATOM 0 HB ILE A 251 -10.614 -10.337 -7.182 1.00 0.00 H new ATOM 0 HG12 ILE A 251 -12.347 -8.726 -5.241 1.00 0.00 H new ATOM 0 HG13 ILE A 251 -10.601 -8.861 -5.165 1.00 0.00 H new ATOM 0 HG21 ILE A 251 -12.663 -9.367 -8.221 1.00 0.00 H new ATOM 0 HG22 ILE A 251 -12.804 -11.134 -8.054 1.00 0.00 H new ATOM 0 HG23 ILE A 251 -13.649 -10.061 -6.912 1.00 0.00 H new ATOM 0 HD11 ILE A 251 -11.267 -6.771 -6.327 1.00 0.00 H new ATOM 0 HD12 ILE A 251 -10.410 -7.859 -7.444 1.00 0.00 H new ATOM 0 HD13 ILE A 251 -12.182 -7.721 -7.521 1.00 0.00 H new