USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 687 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 14 HIS : no HE2:sc= 0.678 K(o=1.3,f=-4!) USER MOD Set 1.2: A 89 ASN : amide:sc= 0.613 K(o=1.3,f=-0.58) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 153:sc= 0.0227 (180deg=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.497 K(o=-0.5,f=-1.4) USER MOD Single : A 44 MET CE :methyl 172:sc= 0 (180deg=-0.115) USER MOD Single : A 46 SER OG : rot 95:sc= 1.31 USER MOD Single : A 54 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.057) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0195 USER MOD Single : A 72 HIS : no HD1:sc= -0.0258 K(o=-0.026,f=-0.6) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 167:sc= -0.0673 (180deg=-0.773) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= 1.07 K(o=1.1,f=-1.3!) USER MOD Single : A 87 GLN : amide:sc= -0.0399 K(o=-0.04,f=-1.3!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0514) USER MOD ----------------------------------------------------------------- ATOM 66 N TYR A 8 -14.027 -8.040 11.708 1.00 0.00 N ATOM 67 CA TYR A 8 -13.104 -8.043 10.579 1.00 0.00 C ATOM 68 C TYR A 8 -11.690 -8.257 11.101 1.00 0.00 C ATOM 69 O TYR A 8 -11.364 -7.873 12.228 1.00 0.00 O ATOM 70 CB TYR A 8 -13.194 -6.773 9.715 1.00 0.00 C ATOM 71 CG TYR A 8 -12.510 -5.560 10.273 1.00 0.00 C ATOM 72 CD1 TYR A 8 -13.218 -4.708 11.125 1.00 0.00 C ATOM 73 CD2 TYR A 8 -11.176 -5.283 9.931 1.00 0.00 C ATOM 74 CE1 TYR A 8 -12.556 -3.615 11.702 1.00 0.00 C ATOM 75 CE2 TYR A 8 -10.534 -4.152 10.454 1.00 0.00 C ATOM 76 CZ TYR A 8 -11.215 -3.331 11.382 1.00 0.00 C ATOM 77 OH TYR A 8 -10.606 -2.272 11.979 1.00 0.00 O ATOM 0 HA TYR A 8 -13.387 -8.861 9.917 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -12.768 -6.990 8.736 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.246 -6.535 9.559 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.262 -4.889 11.336 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -10.643 -5.944 9.263 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -13.082 -2.982 12.402 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -9.526 -3.909 10.150 1.00 0.00 H new ATOM 0 HH TYR A 8 -9.682 -2.203 11.659 1.00 0.00 H new ATOM 87 N LYS A 9 -10.859 -8.815 10.230 1.00 0.00 N ATOM 88 CA LYS A 9 -9.426 -8.961 10.418 1.00 0.00 C ATOM 89 C LYS A 9 -8.734 -8.207 9.299 1.00 0.00 C ATOM 90 O LYS A 9 -9.238 -8.175 8.171 1.00 0.00 O ATOM 91 CB LYS A 9 -9.019 -10.445 10.496 1.00 0.00 C ATOM 92 CG LYS A 9 -8.987 -11.242 9.177 1.00 0.00 C ATOM 93 CD LYS A 9 -10.339 -11.292 8.456 1.00 0.00 C ATOM 94 CE LYS A 9 -10.285 -12.214 7.243 1.00 0.00 C ATOM 95 NZ LYS A 9 -11.597 -12.318 6.581 1.00 0.00 N ATOM 0 H LYS A 9 -11.180 -9.192 9.339 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.115 -8.534 11.372 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.028 -10.499 10.946 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.706 -10.947 11.177 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.246 -10.798 8.512 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.658 -12.260 9.386 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.109 -11.639 9.145 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.623 -10.288 8.140 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.548 -11.839 6.533 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.954 -13.205 7.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.461 -12.539 5.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.153 -13.074 7.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.104 -11.414 6.671 1.00 0.00 H new ATOM 109 N GLU A 10 -7.618 -7.580 9.622 1.00 0.00 N ATOM 110 CA GLU A 10 -6.658 -7.061 8.674 1.00 0.00 C ATOM 111 C GLU A 10 -5.714 -8.208 8.320 1.00 0.00 C ATOM 112 O GLU A 10 -5.373 -9.047 9.157 1.00 0.00 O ATOM 113 CB GLU A 10 -5.955 -5.842 9.308 1.00 0.00 C ATOM 114 CG GLU A 10 -6.717 -4.579 8.893 1.00 0.00 C ATOM 115 CD GLU A 10 -6.605 -3.373 9.819 1.00 0.00 C ATOM 116 OE1 GLU A 10 -5.663 -3.268 10.635 1.00 0.00 O ATOM 117 OE2 GLU A 10 -7.522 -2.522 9.732 1.00 0.00 O ATOM 0 H GLU A 10 -7.348 -7.413 10.591 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.112 -6.706 7.749 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.938 -5.936 10.394 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.918 -5.786 8.976 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.368 -4.281 7.904 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.772 -4.835 8.795 1.00 0.00 H new ATOM 124 N LEU A 11 -5.330 -8.259 7.052 1.00 0.00 N ATOM 125 CA LEU A 11 -4.361 -9.158 6.464 1.00 0.00 C ATOM 126 C LEU A 11 -3.060 -8.382 6.315 1.00 0.00 C ATOM 127 O LEU A 11 -3.027 -7.157 6.395 1.00 0.00 O ATOM 128 CB LEU A 11 -4.817 -9.572 5.052 1.00 0.00 C ATOM 129 CG LEU A 11 -5.996 -10.544 4.911 1.00 0.00 C ATOM 130 CD1 LEU A 11 -5.733 -11.823 5.700 1.00 0.00 C ATOM 131 CD2 LEU A 11 -7.363 -9.943 5.267 1.00 0.00 C ATOM 0 H LEU A 11 -5.721 -7.621 6.359 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.247 -10.044 7.089 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.072 -8.663 4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.960 -10.017 4.546 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.059 -10.780 3.849 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.580 -12.500 5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.831 -12.304 5.322 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.600 -11.579 6.754 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.137 -10.699 5.139 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.353 -9.605 6.303 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.570 -9.097 4.612 1.00 0.00 H new ATOM 143 N ASP A 12 -1.982 -9.076 5.999 1.00 0.00 N ATOM 144 CA ASP A 12 -0.684 -8.523 5.662 1.00 0.00 C ATOM 145 C ASP A 12 -0.257 -9.159 4.356 1.00 0.00 C ATOM 146 O ASP A 12 -0.347 -10.378 4.179 1.00 0.00 O ATOM 147 CB ASP A 12 0.322 -8.740 6.808 1.00 0.00 C ATOM 148 CG ASP A 12 0.176 -10.050 7.590 1.00 0.00 C ATOM 149 OD1 ASP A 12 0.770 -11.068 7.183 1.00 0.00 O ATOM 150 OD2 ASP A 12 -0.603 -10.111 8.576 1.00 0.00 O ATOM 0 H ASP A 12 -1.990 -10.096 5.969 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.730 -7.442 5.531 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.329 -8.697 6.394 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.230 -7.910 7.508 1.00 0.00 H new ATOM 155 N VAL A 13 0.114 -8.315 3.397 1.00 0.00 N ATOM 156 CA VAL A 13 0.742 -8.733 2.145 1.00 0.00 C ATOM 157 C VAL A 13 2.032 -7.919 1.996 1.00 0.00 C ATOM 158 O VAL A 13 2.031 -6.706 2.213 1.00 0.00 O ATOM 159 CB VAL A 13 -0.250 -8.524 0.979 1.00 0.00 C ATOM 160 CG1 VAL A 13 0.354 -8.979 -0.359 1.00 0.00 C ATOM 161 CG2 VAL A 13 -1.577 -9.263 1.204 1.00 0.00 C ATOM 0 H VAL A 13 -0.015 -7.306 3.468 1.00 0.00 H new ATOM 0 HA VAL A 13 0.998 -9.793 2.140 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.450 -7.453 0.943 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.370 -8.818 -1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.256 -8.403 -0.565 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.604 -10.038 -0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.240 -9.085 0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.387 -10.332 1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.047 -8.897 2.117 1.00 0.00 H new ATOM 171 N HIS A 14 3.129 -8.552 1.584 1.00 0.00 N ATOM 172 CA HIS A 14 4.422 -7.912 1.380 1.00 0.00 C ATOM 173 C HIS A 14 4.913 -8.268 -0.018 1.00 0.00 C ATOM 174 O HIS A 14 4.958 -9.448 -0.366 1.00 0.00 O ATOM 175 CB HIS A 14 5.384 -8.378 2.474 1.00 0.00 C ATOM 176 CG HIS A 14 6.790 -7.879 2.298 1.00 0.00 C ATOM 177 ND1 HIS A 14 7.292 -6.693 2.780 1.00 0.00 N ATOM 178 CD2 HIS A 14 7.811 -8.559 1.696 1.00 0.00 C ATOM 179 CE1 HIS A 14 8.610 -6.684 2.527 1.00 0.00 C ATOM 180 NE2 HIS A 14 8.968 -7.785 1.834 1.00 0.00 N ATOM 0 H HIS A 14 3.141 -9.551 1.378 1.00 0.00 H new ATOM 0 HA HIS A 14 4.351 -6.826 1.449 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.008 -8.044 3.441 1.00 0.00 H new ATOM 0 HB3 HIS A 14 5.395 -9.468 2.495 1.00 0.00 H new ATOM 0 HD1 HIS A 14 6.761 -5.956 3.244 1.00 0.00 H new ATOM 0 HD2 HIS A 14 7.738 -9.518 1.204 1.00 0.00 H new ATOM 0 HE1 HIS A 14 9.290 -5.904 2.835 1.00 0.00 H new ATOM 188 N LEU A 15 5.281 -7.269 -0.823 1.00 0.00 N ATOM 189 CA LEU A 15 5.762 -7.449 -2.197 1.00 0.00 C ATOM 190 C LEU A 15 7.078 -6.698 -2.375 1.00 0.00 C ATOM 191 O LEU A 15 7.324 -5.708 -1.679 1.00 0.00 O ATOM 192 CB LEU A 15 4.725 -6.934 -3.214 1.00 0.00 C ATOM 193 CG LEU A 15 3.418 -7.744 -3.292 1.00 0.00 C ATOM 194 CD1 LEU A 15 2.427 -7.025 -4.225 1.00 0.00 C ATOM 195 CD2 LEU A 15 3.646 -9.166 -3.809 1.00 0.00 C ATOM 0 H LEU A 15 5.253 -6.291 -0.533 1.00 0.00 H new ATOM 0 HA LEU A 15 5.917 -8.513 -2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.479 -5.902 -2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.185 -6.922 -4.202 1.00 0.00 H new ATOM 0 HG LEU A 15 3.017 -7.816 -2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.501 -7.597 -4.282 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.216 -6.030 -3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.862 -6.939 -5.221 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.695 -9.697 -3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.077 -9.125 -4.809 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.329 -9.691 -3.141 1.00 0.00 H new ATOM 207 N ARG A 16 7.919 -7.119 -3.326 1.00 0.00 N ATOM 208 CA ARG A 16 9.192 -6.450 -3.623 1.00 0.00 C ATOM 209 C ARG A 16 9.111 -5.653 -4.911 1.00 0.00 C ATOM 210 O ARG A 16 8.205 -5.825 -5.734 1.00 0.00 O ATOM 211 CB ARG A 16 10.387 -7.421 -3.595 1.00 0.00 C ATOM 212 CG ARG A 16 10.539 -8.284 -4.852 1.00 0.00 C ATOM 213 CD ARG A 16 11.693 -9.281 -4.669 1.00 0.00 C ATOM 214 NE ARG A 16 11.568 -10.447 -5.561 1.00 0.00 N ATOM 215 CZ ARG A 16 11.235 -11.690 -5.178 1.00 0.00 C ATOM 216 NH1 ARG A 16 10.932 -11.972 -3.911 1.00 0.00 N ATOM 217 NH2 ARG A 16 11.191 -12.673 -6.066 1.00 0.00 N ATOM 0 H ARG A 16 7.737 -7.934 -3.912 1.00 0.00 H new ATOM 0 HA ARG A 16 9.376 -5.735 -2.821 1.00 0.00 H new ATOM 0 HB2 ARG A 16 11.302 -6.846 -3.453 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.285 -8.077 -2.730 1.00 0.00 H new ATOM 0 HG2 ARG A 16 9.611 -8.821 -5.048 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.729 -7.650 -5.718 1.00 0.00 H new ATOM 0 HD2 ARG A 16 12.640 -8.777 -4.863 1.00 0.00 H new ATOM 0 HD3 ARG A 16 11.718 -9.619 -3.633 1.00 0.00 H new ATOM 0 HE ARG A 16 11.750 -10.297 -6.553 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.950 -11.235 -3.206 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.682 -12.925 -3.646 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.411 -12.487 -7.044 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.938 -13.616 -5.771 1.00 0.00 H new ATOM 231 N ARG A 17 10.103 -4.790 -5.104 1.00 0.00 N ATOM 232 CA ARG A 17 10.295 -4.014 -6.296 1.00 0.00 C ATOM 233 C ARG A 17 11.691 -4.252 -6.825 1.00 0.00 C ATOM 234 O ARG A 17 12.635 -3.572 -6.427 1.00 0.00 O ATOM 235 CB ARG A 17 10.006 -2.528 -6.065 1.00 0.00 C ATOM 236 CG ARG A 17 10.003 -1.837 -7.433 1.00 0.00 C ATOM 237 CD ARG A 17 11.049 -0.730 -7.583 1.00 0.00 C ATOM 238 NE ARG A 17 12.082 -1.092 -8.571 1.00 0.00 N ATOM 239 CZ ARG A 17 13.038 -0.269 -9.006 1.00 0.00 C ATOM 240 NH1 ARG A 17 12.909 1.044 -8.874 1.00 0.00 N ATOM 241 NH2 ARG A 17 14.137 -0.737 -9.578 1.00 0.00 N ATOM 0 H ARG A 17 10.817 -4.614 -4.397 1.00 0.00 H new ATOM 0 HA ARG A 17 9.578 -4.339 -7.050 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.044 -2.398 -5.568 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.762 -2.088 -5.415 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.172 -2.587 -8.206 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.015 -1.413 -7.610 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.560 0.195 -7.889 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.518 -0.538 -6.618 1.00 0.00 H new ATOM 0 HE ARG A 17 12.065 -2.039 -8.949 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.074 1.433 -8.437 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.645 1.665 -9.210 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.264 -1.743 -9.692 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.857 -0.092 -9.904 1.00 0.00 H new ATOM 255 N MET A 18 11.792 -5.211 -7.736 1.00 0.00 N ATOM 256 CA MET A 18 13.029 -5.533 -8.433 1.00 0.00 C ATOM 257 C MET A 18 12.637 -5.927 -9.858 1.00 0.00 C ATOM 258 O MET A 18 12.943 -5.216 -10.816 1.00 0.00 O ATOM 259 CB MET A 18 13.807 -6.649 -7.695 1.00 0.00 C ATOM 260 CG MET A 18 14.153 -6.305 -6.237 1.00 0.00 C ATOM 261 SD MET A 18 15.033 -7.599 -5.327 1.00 0.00 S ATOM 262 CE MET A 18 16.742 -7.216 -5.774 1.00 0.00 C ATOM 0 H MET A 18 11.004 -5.796 -8.015 1.00 0.00 H new ATOM 0 HA MET A 18 13.708 -4.681 -8.460 1.00 0.00 H new ATOM 0 HB2 MET A 18 13.215 -7.564 -7.712 1.00 0.00 H new ATOM 0 HB3 MET A 18 14.729 -6.856 -8.238 1.00 0.00 H new ATOM 0 HG2 MET A 18 14.761 -5.400 -6.229 1.00 0.00 H new ATOM 0 HG3 MET A 18 13.229 -6.074 -5.706 1.00 0.00 H new ATOM 0 HE1 MET A 18 17.412 -7.927 -5.291 1.00 0.00 H new ATOM 0 HE2 MET A 18 16.859 -7.284 -6.856 1.00 0.00 H new ATOM 0 HE3 MET A 18 16.986 -6.206 -5.445 1.00 0.00 H new ATOM 272 N GLU A 19 11.875 -7.015 -9.991 1.00 0.00 N ATOM 273 CA GLU A 19 11.462 -7.575 -11.271 1.00 0.00 C ATOM 274 C GLU A 19 10.516 -6.618 -12.005 1.00 0.00 C ATOM 275 O GLU A 19 10.898 -6.029 -13.017 1.00 0.00 O ATOM 276 CB GLU A 19 10.812 -8.945 -11.045 1.00 0.00 C ATOM 277 CG GLU A 19 11.825 -9.992 -10.557 1.00 0.00 C ATOM 278 CD GLU A 19 12.250 -9.844 -9.090 1.00 0.00 C ATOM 279 OE1 GLU A 19 11.427 -9.387 -8.257 1.00 0.00 O ATOM 280 OE2 GLU A 19 13.434 -10.125 -8.804 1.00 0.00 O ATOM 0 H GLU A 19 11.522 -7.540 -9.191 1.00 0.00 H new ATOM 0 HA GLU A 19 12.339 -7.708 -11.904 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.010 -8.849 -10.313 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.357 -9.287 -11.974 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.396 -10.984 -10.698 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.714 -9.937 -11.185 1.00 0.00 H new ATOM 287 N SER A 20 9.291 -6.448 -11.501 1.00 0.00 N ATOM 288 CA SER A 20 8.314 -5.503 -12.053 1.00 0.00 C ATOM 289 C SER A 20 8.003 -4.384 -11.058 1.00 0.00 C ATOM 290 O SER A 20 7.744 -3.246 -11.458 1.00 0.00 O ATOM 291 CB SER A 20 7.027 -6.253 -12.446 1.00 0.00 C ATOM 292 OG SER A 20 7.320 -7.428 -13.192 1.00 0.00 O ATOM 0 H SER A 20 8.946 -6.965 -10.693 1.00 0.00 H new ATOM 0 HA SER A 20 8.744 -5.043 -12.943 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.470 -6.520 -11.548 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.386 -5.596 -13.035 1.00 0.00 H new ATOM 0 HG SER A 20 6.485 -7.884 -13.426 1.00 0.00 H new ATOM 298 N GLY A 21 8.068 -4.685 -9.758 1.00 0.00 N ATOM 299 CA GLY A 21 7.484 -3.815 -8.761 1.00 0.00 C ATOM 300 C GLY A 21 5.991 -4.039 -8.741 1.00 0.00 C ATOM 301 O GLY A 21 5.238 -3.290 -9.356 1.00 0.00 O ATOM 0 H GLY A 21 8.518 -5.520 -9.384 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.911 -4.024 -7.780 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.707 -2.773 -8.991 1.00 0.00 H new ATOM 305 N PHE A 22 5.593 -5.046 -7.964 1.00 0.00 N ATOM 306 CA PHE A 22 4.207 -5.276 -7.581 1.00 0.00 C ATOM 307 C PHE A 22 3.441 -5.809 -8.801 1.00 0.00 C ATOM 308 O PHE A 22 4.031 -6.518 -9.624 1.00 0.00 O ATOM 309 CB PHE A 22 3.605 -4.031 -6.873 1.00 0.00 C ATOM 310 CG PHE A 22 4.588 -3.148 -6.103 1.00 0.00 C ATOM 311 CD1 PHE A 22 5.641 -3.719 -5.358 1.00 0.00 C ATOM 312 CD2 PHE A 22 4.507 -1.743 -6.202 1.00 0.00 C ATOM 313 CE1 PHE A 22 6.614 -2.907 -4.759 1.00 0.00 C ATOM 314 CE2 PHE A 22 5.459 -0.925 -5.561 1.00 0.00 C ATOM 315 CZ PHE A 22 6.513 -1.508 -4.838 1.00 0.00 C ATOM 0 H PHE A 22 6.239 -5.735 -7.578 1.00 0.00 H new ATOM 0 HA PHE A 22 4.124 -6.051 -6.819 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.109 -3.416 -7.624 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.835 -4.370 -6.180 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.698 -4.792 -5.248 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.710 -1.291 -6.773 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.444 -3.358 -4.235 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.378 0.150 -5.626 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.243 -0.883 -4.345 1.00 0.00 H new ATOM 325 N GLY A 23 2.133 -5.589 -8.881 1.00 0.00 N ATOM 326 CA GLY A 23 1.300 -6.120 -9.949 1.00 0.00 C ATOM 327 C GLY A 23 -0.151 -6.072 -9.515 1.00 0.00 C ATOM 328 O GLY A 23 -0.804 -7.110 -9.474 1.00 0.00 O ATOM 0 H GLY A 23 1.618 -5.032 -8.199 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.440 -5.538 -10.860 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.590 -7.145 -10.178 1.00 0.00 H new ATOM 332 N PHE A 24 -0.642 -4.898 -9.124 1.00 0.00 N ATOM 333 CA PHE A 24 -2.029 -4.707 -8.719 1.00 0.00 C ATOM 334 C PHE A 24 -2.499 -3.338 -9.201 1.00 0.00 C ATOM 335 O PHE A 24 -1.714 -2.557 -9.746 1.00 0.00 O ATOM 336 CB PHE A 24 -2.175 -4.895 -7.200 1.00 0.00 C ATOM 337 CG PHE A 24 -1.576 -3.786 -6.355 1.00 0.00 C ATOM 338 CD1 PHE A 24 -2.359 -2.662 -6.042 1.00 0.00 C ATOM 339 CD2 PHE A 24 -0.261 -3.874 -5.860 1.00 0.00 C ATOM 340 CE1 PHE A 24 -1.862 -1.653 -5.205 1.00 0.00 C ATOM 341 CE2 PHE A 24 0.251 -2.844 -5.051 1.00 0.00 C ATOM 342 CZ PHE A 24 -0.559 -1.751 -4.698 1.00 0.00 C ATOM 0 H PHE A 24 -0.082 -4.047 -9.080 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.670 -5.459 -9.179 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.235 -4.982 -6.960 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.706 -5.838 -6.919 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.355 -2.574 -6.451 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.352 -4.730 -6.101 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.480 -0.804 -4.952 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.271 -2.893 -4.699 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.178 -0.987 -4.037 1.00 0.00 H new ATOM 352 N ARG A 25 -3.788 -3.052 -9.047 1.00 0.00 N ATOM 353 CA ARG A 25 -4.403 -1.816 -9.489 1.00 0.00 C ATOM 354 C ARG A 25 -5.420 -1.370 -8.471 1.00 0.00 C ATOM 355 O ARG A 25 -6.090 -2.205 -7.863 1.00 0.00 O ATOM 356 CB ARG A 25 -5.046 -2.019 -10.868 1.00 0.00 C ATOM 357 CG ARG A 25 -4.628 -0.850 -11.760 1.00 0.00 C ATOM 358 CD ARG A 25 -4.951 -1.091 -13.234 1.00 0.00 C ATOM 359 NE ARG A 25 -3.958 -0.386 -14.051 1.00 0.00 N ATOM 360 CZ ARG A 25 -3.858 0.936 -14.196 1.00 0.00 C ATOM 361 NH1 ARG A 25 -4.911 1.737 -14.047 1.00 0.00 N ATOM 362 NH2 ARG A 25 -2.659 1.436 -14.461 1.00 0.00 N ATOM 0 H ARG A 25 -4.445 -3.692 -8.600 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.646 -1.037 -9.582 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.724 -2.965 -11.303 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.132 -2.062 -10.780 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.132 0.056 -11.425 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.557 -0.678 -11.650 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.934 -2.158 -13.455 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.954 -0.733 -13.465 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.281 -0.960 -14.555 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.823 1.343 -13.816 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.806 2.745 -14.164 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.855 0.814 -14.547 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.541 2.442 -14.579 1.00 0.00 H new ATOM 376 N ILE A 26 -5.487 -0.064 -8.269 1.00 0.00 N ATOM 377 CA ILE A 26 -6.175 0.648 -7.203 1.00 0.00 C ATOM 378 C ILE A 26 -7.230 1.482 -7.938 1.00 0.00 C ATOM 379 O ILE A 26 -6.948 2.037 -9.004 1.00 0.00 O ATOM 380 CB ILE A 26 -5.173 1.490 -6.342 1.00 0.00 C ATOM 381 CG1 ILE A 26 -3.706 1.416 -6.835 1.00 0.00 C ATOM 382 CG2 ILE A 26 -5.211 1.146 -4.836 1.00 0.00 C ATOM 383 CD1 ILE A 26 -2.713 2.275 -6.057 1.00 0.00 C ATOM 0 H ILE A 26 -5.019 0.583 -8.904 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.644 -0.008 -6.469 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.530 2.511 -6.477 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.377 0.378 -6.790 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.677 1.714 -7.883 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.492 1.767 -4.303 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.211 1.332 -4.445 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.957 0.095 -4.696 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.716 2.152 -6.480 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.009 3.322 -6.122 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.704 1.965 -5.012 1.00 0.00 H new ATOM 395 N LEU A 27 -8.457 1.499 -7.424 1.00 0.00 N ATOM 396 CA LEU A 27 -9.638 2.173 -7.968 1.00 0.00 C ATOM 397 C LEU A 27 -10.541 2.598 -6.802 1.00 0.00 C ATOM 398 O LEU A 27 -10.171 2.390 -5.642 1.00 0.00 O ATOM 399 CB LEU A 27 -10.234 1.361 -9.135 1.00 0.00 C ATOM 400 CG LEU A 27 -10.734 -0.042 -8.788 1.00 0.00 C ATOM 401 CD1 LEU A 27 -11.946 0.116 -7.892 1.00 0.00 C ATOM 402 CD2 LEU A 27 -11.053 -0.859 -10.052 1.00 0.00 C ATOM 0 H LEU A 27 -8.670 1.008 -6.555 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.414 3.117 -8.465 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.064 1.927 -9.559 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.477 1.273 -9.914 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.958 -0.602 -8.266 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.331 -0.868 -7.624 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.662 0.654 -6.987 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.718 0.676 -8.420 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.405 -1.850 -9.765 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.827 -0.351 -10.628 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.153 -0.956 -10.660 1.00 0.00 H new ATOM 414 N GLY A 28 -11.695 3.211 -7.048 1.00 0.00 N ATOM 415 CA GLY A 28 -12.499 3.739 -5.956 1.00 0.00 C ATOM 416 C GLY A 28 -11.754 4.910 -5.322 1.00 0.00 C ATOM 417 O GLY A 28 -11.078 5.653 -6.048 1.00 0.00 O ATOM 0 H GLY A 28 -12.088 3.352 -7.979 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -13.471 4.065 -6.326 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.685 2.963 -5.214 1.00 0.00 H new ATOM 421 N GLY A 29 -11.883 5.097 -3.998 1.00 0.00 N ATOM 422 CA GLY A 29 -11.269 6.207 -3.277 1.00 0.00 C ATOM 423 C GLY A 29 -11.612 7.552 -3.917 1.00 0.00 C ATOM 424 O GLY A 29 -10.770 8.451 -3.940 1.00 0.00 O ATOM 0 H GLY A 29 -12.423 4.472 -3.399 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.607 6.200 -2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.187 6.077 -3.260 1.00 0.00 H new ATOM 428 N ASP A 30 -12.790 7.664 -4.538 1.00 0.00 N ATOM 429 CA ASP A 30 -13.059 8.759 -5.468 1.00 0.00 C ATOM 430 C ASP A 30 -13.674 9.974 -4.765 1.00 0.00 C ATOM 431 O ASP A 30 -13.790 11.042 -5.364 1.00 0.00 O ATOM 432 CB ASP A 30 -13.927 8.270 -6.634 1.00 0.00 C ATOM 433 CG ASP A 30 -13.760 9.223 -7.815 1.00 0.00 C ATOM 434 OD1 ASP A 30 -12.614 9.400 -8.287 1.00 0.00 O ATOM 435 OD2 ASP A 30 -14.741 9.896 -8.206 1.00 0.00 O ATOM 0 H ASP A 30 -13.566 7.014 -4.413 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.105 9.094 -5.876 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -13.636 7.260 -6.922 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.973 8.226 -6.331 1.00 0.00 H new ATOM 440 N GLU A 31 -14.007 9.821 -3.483 1.00 0.00 N ATOM 441 CA GLU A 31 -14.329 10.874 -2.533 1.00 0.00 C ATOM 442 C GLU A 31 -13.473 10.621 -1.281 1.00 0.00 C ATOM 443 O GLU A 31 -13.080 9.472 -1.031 1.00 0.00 O ATOM 444 CB GLU A 31 -15.823 10.835 -2.175 1.00 0.00 C ATOM 445 CG GLU A 31 -16.724 11.642 -3.118 1.00 0.00 C ATOM 446 CD GLU A 31 -16.844 13.109 -2.686 1.00 0.00 C ATOM 447 OE1 GLU A 31 -17.167 13.372 -1.501 1.00 0.00 O ATOM 448 OE2 GLU A 31 -16.609 13.982 -3.547 1.00 0.00 O ATOM 0 H GLU A 31 -14.061 8.895 -3.058 1.00 0.00 H new ATOM 0 HA GLU A 31 -14.120 11.856 -2.956 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.156 9.797 -2.174 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.950 11.212 -1.160 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -16.323 11.594 -4.131 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -17.716 11.190 -3.146 1.00 0.00 H new ATOM 455 N PRO A 32 -13.193 11.662 -0.480 1.00 0.00 N ATOM 456 CA PRO A 32 -12.349 11.593 0.698 1.00 0.00 C ATOM 457 C PRO A 32 -13.151 10.948 1.819 1.00 0.00 C ATOM 458 O PRO A 32 -13.913 11.604 2.534 1.00 0.00 O ATOM 459 CB PRO A 32 -11.926 13.036 0.983 1.00 0.00 C ATOM 460 CG PRO A 32 -13.052 13.888 0.395 1.00 0.00 C ATOM 461 CD PRO A 32 -13.825 12.966 -0.555 1.00 0.00 C ATOM 0 HA PRO A 32 -11.453 10.983 0.579 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.812 13.212 2.053 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -10.968 13.268 0.518 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -13.702 14.272 1.181 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -12.652 14.751 -0.138 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -14.874 12.904 -0.265 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -13.798 13.351 -1.574 1.00 0.00 H new ATOM 469 N GLY A 33 -13.014 9.633 1.907 1.00 0.00 N ATOM 470 CA GLY A 33 -13.707 8.813 2.870 1.00 0.00 C ATOM 471 C GLY A 33 -14.082 7.444 2.313 1.00 0.00 C ATOM 472 O GLY A 33 -14.477 6.579 3.100 1.00 0.00 O ATOM 0 H GLY A 33 -12.400 9.100 1.291 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.078 8.683 3.751 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.610 9.328 3.197 1.00 0.00 H new ATOM 476 N GLN A 34 -13.987 7.221 0.997 1.00 0.00 N ATOM 477 CA GLN A 34 -14.518 6.027 0.368 1.00 0.00 C ATOM 478 C GLN A 34 -13.597 4.820 0.550 1.00 0.00 C ATOM 479 O GLN A 34 -12.407 4.982 0.840 1.00 0.00 O ATOM 480 CB GLN A 34 -14.843 6.352 -1.099 1.00 0.00 C ATOM 481 CG GLN A 34 -16.093 7.237 -1.217 1.00 0.00 C ATOM 482 CD GLN A 34 -17.384 6.658 -0.628 1.00 0.00 C ATOM 483 OE1 GLN A 34 -17.586 6.614 0.585 1.00 0.00 O ATOM 484 NE2 GLN A 34 -18.298 6.206 -1.464 1.00 0.00 N ATOM 0 H GLN A 34 -13.539 7.868 0.348 1.00 0.00 H new ATOM 0 HA GLN A 34 -15.444 5.727 0.859 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.993 6.858 -1.557 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -14.998 5.426 -1.652 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -15.888 8.188 -0.726 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -16.263 7.453 -2.272 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -18.132 6.242 -2.470 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -19.171 5.820 -1.105 1.00 0.00 H new ATOM 493 N PRO A 35 -14.138 3.599 0.402 1.00 0.00 N ATOM 494 CA PRO A 35 -13.352 2.388 0.511 1.00 0.00 C ATOM 495 C PRO A 35 -12.449 2.277 -0.714 1.00 0.00 C ATOM 496 O PRO A 35 -12.817 2.673 -1.828 1.00 0.00 O ATOM 497 CB PRO A 35 -14.357 1.242 0.607 1.00 0.00 C ATOM 498 CG PRO A 35 -15.633 1.780 -0.037 1.00 0.00 C ATOM 499 CD PRO A 35 -15.479 3.302 -0.081 1.00 0.00 C ATOM 0 HA PRO A 35 -12.700 2.374 1.384 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.996 0.355 0.086 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.529 0.954 1.644 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -15.765 1.373 -1.039 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -16.512 1.494 0.541 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -15.617 3.676 -1.095 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.231 3.786 0.542 1.00 0.00 H new ATOM 507 N ILE A 36 -11.272 1.702 -0.495 1.00 0.00 N ATOM 508 CA ILE A 36 -10.221 1.565 -1.482 1.00 0.00 C ATOM 509 C ILE A 36 -10.062 0.061 -1.662 1.00 0.00 C ATOM 510 O ILE A 36 -9.419 -0.603 -0.865 1.00 0.00 O ATOM 511 CB ILE A 36 -8.966 2.343 -1.016 1.00 0.00 C ATOM 512 CG1 ILE A 36 -9.317 3.847 -0.906 1.00 0.00 C ATOM 513 CG2 ILE A 36 -7.794 2.128 -1.981 1.00 0.00 C ATOM 514 CD1 ILE A 36 -8.147 4.766 -0.553 1.00 0.00 C ATOM 0 H ILE A 36 -11.020 1.305 0.410 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.434 2.005 -2.456 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.656 1.970 -0.040 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.742 4.175 -1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.093 3.968 -0.151 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.926 2.686 -1.629 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.549 1.067 -2.026 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.072 2.478 -2.975 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.497 5.797 -0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.733 4.474 0.412 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.376 4.684 -1.319 1.00 0.00 H new ATOM 526 N LEU A 37 -10.777 -0.487 -2.638 1.00 0.00 N ATOM 527 CA LEU A 37 -10.864 -1.918 -2.937 1.00 0.00 C ATOM 528 C LEU A 37 -9.887 -2.255 -4.050 1.00 0.00 C ATOM 529 O LEU A 37 -9.902 -1.560 -5.068 1.00 0.00 O ATOM 530 CB LEU A 37 -12.285 -2.315 -3.385 1.00 0.00 C ATOM 531 CG LEU A 37 -13.420 -1.876 -2.445 1.00 0.00 C ATOM 532 CD1 LEU A 37 -14.723 -2.587 -2.797 1.00 0.00 C ATOM 533 CD2 LEU A 37 -13.099 -2.173 -0.985 1.00 0.00 C ATOM 0 H LEU A 37 -11.339 0.078 -3.274 1.00 0.00 H new ATOM 0 HA LEU A 37 -10.621 -2.470 -2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.469 -1.890 -4.372 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.324 -3.399 -3.493 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.528 -0.799 -2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.511 -2.260 -2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -15.004 -2.345 -3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.587 -3.664 -2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.928 -1.847 -0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.946 -3.245 -0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.193 -1.640 -0.696 1.00 0.00 H new ATOM 545 N ILE A 38 -9.064 -3.293 -3.883 1.00 0.00 N ATOM 546 CA ILE A 38 -8.073 -3.723 -4.862 1.00 0.00 C ATOM 547 C ILE A 38 -8.833 -3.948 -6.169 1.00 0.00 C ATOM 548 O ILE A 38 -9.647 -4.859 -6.251 1.00 0.00 O ATOM 549 CB ILE A 38 -7.298 -4.979 -4.401 1.00 0.00 C ATOM 550 CG1 ILE A 38 -6.501 -4.779 -3.088 1.00 0.00 C ATOM 551 CG2 ILE A 38 -6.365 -5.521 -5.510 1.00 0.00 C ATOM 552 CD1 ILE A 38 -5.173 -4.007 -3.154 1.00 0.00 C ATOM 0 H ILE A 38 -9.072 -3.869 -3.041 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.301 -2.964 -4.993 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.070 -5.719 -4.192 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.150 -4.264 -2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.293 -5.765 -2.672 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.840 -6.403 -5.144 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.957 -5.788 -6.385 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.640 -4.754 -5.783 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.735 -3.951 -2.157 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.485 -4.523 -3.824 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.356 -2.999 -3.527 1.00 0.00 H new ATOM 564 N GLY A 39 -8.629 -3.109 -7.177 1.00 0.00 N ATOM 565 CA GLY A 39 -9.424 -3.158 -8.388 1.00 0.00 C ATOM 566 C GLY A 39 -9.156 -4.415 -9.183 1.00 0.00 C ATOM 567 O GLY A 39 -10.071 -5.041 -9.725 1.00 0.00 O ATOM 0 H GLY A 39 -7.913 -2.383 -7.175 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.482 -3.109 -8.131 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.205 -2.285 -9.003 1.00 0.00 H new ATOM 571 N ALA A 40 -7.877 -4.757 -9.295 1.00 0.00 N ATOM 572 CA ALA A 40 -7.380 -5.818 -10.140 1.00 0.00 C ATOM 573 C ALA A 40 -6.027 -6.241 -9.584 1.00 0.00 C ATOM 574 O ALA A 40 -5.237 -5.372 -9.218 1.00 0.00 O ATOM 575 CB ALA A 40 -7.238 -5.242 -11.543 1.00 0.00 C ATOM 0 H ALA A 40 -7.138 -4.281 -8.778 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.041 -6.684 -10.170 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.864 -6.013 -12.217 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.210 -4.894 -11.894 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.539 -4.406 -11.524 1.00 0.00 H new ATOM 581 N VAL A 41 -5.708 -7.530 -9.553 1.00 0.00 N ATOM 582 CA VAL A 41 -4.374 -8.020 -9.457 1.00 0.00 C ATOM 583 C VAL A 41 -3.971 -8.581 -10.826 1.00 0.00 C ATOM 584 O VAL A 41 -4.819 -9.058 -11.593 1.00 0.00 O ATOM 585 CB VAL A 41 -4.275 -8.917 -8.239 1.00 0.00 C ATOM 586 CG1 VAL A 41 -4.979 -8.415 -6.972 1.00 0.00 C ATOM 587 CG2 VAL A 41 -4.547 -10.360 -8.520 1.00 0.00 C ATOM 0 H VAL A 41 -6.407 -8.272 -9.596 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.619 -7.258 -9.263 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.216 -8.848 -7.991 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.840 -9.138 -6.168 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.554 -7.456 -6.675 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.044 -8.294 -7.171 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.456 -10.934 -7.598 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.556 -10.469 -8.917 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.827 -10.730 -9.250 1.00 0.00 H new ATOM 597 N ILE A 42 -2.691 -8.458 -11.159 1.00 0.00 N ATOM 598 CA ILE A 42 -2.127 -8.912 -12.414 1.00 0.00 C ATOM 599 C ILE A 42 -1.817 -10.392 -12.230 1.00 0.00 C ATOM 600 O ILE A 42 -0.892 -10.719 -11.487 1.00 0.00 O ATOM 601 CB ILE A 42 -0.872 -8.089 -12.769 1.00 0.00 C ATOM 602 CG1 ILE A 42 -1.156 -6.574 -12.825 1.00 0.00 C ATOM 603 CG2 ILE A 42 -0.276 -8.565 -14.103 1.00 0.00 C ATOM 604 CD1 ILE A 42 -2.141 -6.144 -13.911 1.00 0.00 C ATOM 0 H ILE A 42 -2.002 -8.027 -10.543 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.818 -8.775 -13.246 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.149 -8.254 -11.970 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.543 -6.256 -11.857 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.214 -6.048 -12.980 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.609 -7.973 -14.338 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.001 -9.616 -14.023 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.015 -8.444 -14.895 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.277 -5.063 -13.872 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.750 -6.425 -14.889 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.100 -6.636 -13.748 1.00 0.00 H new ATOM 616 N ALA A 43 -2.562 -11.270 -12.909 1.00 0.00 N ATOM 617 CA ALA A 43 -2.349 -12.718 -12.868 1.00 0.00 C ATOM 618 C ALA A 43 -0.911 -13.096 -13.225 1.00 0.00 C ATOM 619 O ALA A 43 -0.328 -14.059 -12.732 1.00 0.00 O ATOM 620 CB ALA A 43 -3.281 -13.401 -13.862 1.00 0.00 C ATOM 0 H ALA A 43 -3.338 -10.991 -13.509 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.554 -13.046 -11.849 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.121 -14.479 -13.830 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.316 -13.180 -13.601 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.074 -13.033 -14.867 1.00 0.00 H new ATOM 626 N MET A 44 -0.337 -12.324 -14.140 1.00 0.00 N ATOM 627 CA MET A 44 0.972 -12.560 -14.710 1.00 0.00 C ATOM 628 C MET A 44 2.036 -11.740 -13.970 1.00 0.00 C ATOM 629 O MET A 44 3.070 -11.405 -14.547 1.00 0.00 O ATOM 630 CB MET A 44 0.900 -12.224 -16.202 1.00 0.00 C ATOM 631 CG MET A 44 -0.172 -13.030 -16.953 1.00 0.00 C ATOM 632 SD MET A 44 0.261 -14.768 -17.221 1.00 0.00 S ATOM 633 CE MET A 44 -0.735 -15.582 -15.947 1.00 0.00 C ATOM 0 H MET A 44 -0.790 -11.490 -14.514 1.00 0.00 H new ATOM 0 HA MET A 44 1.265 -13.604 -14.598 1.00 0.00 H new ATOM 0 HB2 MET A 44 0.694 -11.160 -16.319 1.00 0.00 H new ATOM 0 HB3 MET A 44 1.872 -12.412 -16.658 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.106 -12.982 -16.393 1.00 0.00 H new ATOM 0 HG3 MET A 44 -0.355 -12.559 -17.919 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.684 -16.663 -16.080 1.00 0.00 H new ATOM 0 HE2 MET A 44 -0.351 -15.319 -14.961 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.771 -15.255 -16.031 1.00 0.00 H new ATOM 643 N GLY A 45 1.758 -11.307 -12.739 1.00 0.00 N ATOM 644 CA GLY A 45 2.519 -10.288 -12.042 1.00 0.00 C ATOM 645 C GLY A 45 2.688 -10.626 -10.573 1.00 0.00 C ATOM 646 O GLY A 45 2.188 -11.633 -10.071 1.00 0.00 O ATOM 0 H GLY A 45 0.977 -11.669 -12.192 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.499 -10.183 -12.507 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.015 -9.326 -12.139 1.00 0.00 H new ATOM 650 N SER A 46 3.445 -9.779 -9.881 1.00 0.00 N ATOM 651 CA SER A 46 4.045 -10.149 -8.607 1.00 0.00 C ATOM 652 C SER A 46 3.013 -10.328 -7.485 1.00 0.00 C ATOM 653 O SER A 46 3.332 -10.991 -6.504 1.00 0.00 O ATOM 654 CB SER A 46 5.137 -9.135 -8.220 1.00 0.00 C ATOM 655 OG SER A 46 5.712 -8.495 -9.359 1.00 0.00 O ATOM 0 H SER A 46 3.657 -8.829 -10.184 1.00 0.00 H new ATOM 0 HA SER A 46 4.506 -11.128 -8.739 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.711 -8.380 -7.559 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.920 -9.645 -7.659 1.00 0.00 H new ATOM 0 HG SER A 46 5.258 -7.641 -9.519 1.00 0.00 H new ATOM 661 N ALA A 47 1.806 -9.754 -7.613 1.00 0.00 N ATOM 662 CA ALA A 47 0.721 -9.936 -6.654 1.00 0.00 C ATOM 663 C ALA A 47 0.198 -11.367 -6.733 1.00 0.00 C ATOM 664 O ALA A 47 0.340 -12.118 -5.776 1.00 0.00 O ATOM 665 CB ALA A 47 -0.410 -8.937 -6.919 1.00 0.00 C ATOM 0 H ALA A 47 1.560 -9.146 -8.395 1.00 0.00 H new ATOM 0 HA ALA A 47 1.105 -9.753 -5.651 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.208 -9.090 -6.193 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.027 -7.921 -6.828 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.801 -9.088 -7.925 1.00 0.00 H new ATOM 671 N ASP A 48 -0.365 -11.744 -7.884 1.00 0.00 N ATOM 672 CA ASP A 48 -0.987 -13.051 -8.104 1.00 0.00 C ATOM 673 C ASP A 48 0.002 -14.175 -7.817 1.00 0.00 C ATOM 674 O ASP A 48 -0.323 -15.162 -7.159 1.00 0.00 O ATOM 675 CB ASP A 48 -1.444 -13.154 -9.555 1.00 0.00 C ATOM 676 CG ASP A 48 -2.081 -14.511 -9.860 1.00 0.00 C ATOM 677 OD1 ASP A 48 -1.346 -15.507 -10.059 1.00 0.00 O ATOM 678 OD2 ASP A 48 -3.326 -14.563 -9.914 1.00 0.00 O ATOM 0 H ASP A 48 -0.402 -11.138 -8.704 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.838 -13.148 -7.430 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.161 -12.361 -9.766 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.591 -12.997 -10.216 1.00 0.00 H new ATOM 683 N ARG A 49 1.241 -14.017 -8.289 1.00 0.00 N ATOM 684 CA ARG A 49 2.273 -15.020 -8.073 1.00 0.00 C ATOM 685 C ARG A 49 2.725 -15.068 -6.614 1.00 0.00 C ATOM 686 O ARG A 49 3.317 -16.073 -6.223 1.00 0.00 O ATOM 687 CB ARG A 49 3.447 -14.787 -9.035 1.00 0.00 C ATOM 688 CG ARG A 49 3.010 -14.944 -10.505 1.00 0.00 C ATOM 689 CD ARG A 49 4.203 -14.909 -11.465 1.00 0.00 C ATOM 690 NE ARG A 49 5.014 -16.130 -11.346 1.00 0.00 N ATOM 691 CZ ARG A 49 6.321 -16.267 -11.103 1.00 0.00 C ATOM 692 NH1 ARG A 49 7.142 -15.224 -11.019 1.00 0.00 N ATOM 693 NH2 ARG A 49 6.791 -17.501 -10.961 1.00 0.00 N ATOM 0 H ARG A 49 1.548 -13.203 -8.822 1.00 0.00 H new ATOM 0 HA ARG A 49 1.848 -16.000 -8.291 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.854 -13.788 -8.880 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.246 -15.494 -8.814 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.475 -15.886 -10.626 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.313 -14.147 -10.763 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.846 -14.804 -12.490 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.820 -14.036 -11.251 1.00 0.00 H new ATOM 0 HE ARG A 49 4.502 -17.004 -11.467 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.780 -14.278 -11.142 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.134 -15.370 -10.832 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.160 -18.299 -11.038 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.783 -17.651 -10.775 1.00 0.00 H new ATOM 707 N ASP A 50 2.488 -14.040 -5.794 1.00 0.00 N ATOM 708 CA ASP A 50 2.689 -14.137 -4.343 1.00 0.00 C ATOM 709 C ASP A 50 1.477 -14.767 -3.653 1.00 0.00 C ATOM 710 O ASP A 50 1.622 -15.354 -2.583 1.00 0.00 O ATOM 711 CB ASP A 50 3.008 -12.771 -3.724 1.00 0.00 C ATOM 712 CG ASP A 50 3.583 -12.908 -2.313 1.00 0.00 C ATOM 713 OD1 ASP A 50 4.438 -13.805 -2.096 1.00 0.00 O ATOM 714 OD2 ASP A 50 3.223 -12.101 -1.437 1.00 0.00 O ATOM 0 H ASP A 50 2.156 -13.129 -6.110 1.00 0.00 H new ATOM 0 HA ASP A 50 3.549 -14.788 -4.183 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.720 -12.242 -4.357 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.102 -12.166 -3.690 1.00 0.00 H new ATOM 719 N GLY A 51 0.302 -14.709 -4.286 1.00 0.00 N ATOM 720 CA GLY A 51 -0.820 -15.595 -4.013 1.00 0.00 C ATOM 721 C GLY A 51 -1.735 -15.123 -2.890 1.00 0.00 C ATOM 722 O GLY A 51 -2.518 -15.936 -2.397 1.00 0.00 O ATOM 0 H GLY A 51 0.106 -14.027 -5.019 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.409 -15.706 -4.923 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.434 -16.583 -3.760 1.00 0.00 H new ATOM 726 N ARG A 52 -1.637 -13.864 -2.449 1.00 0.00 N ATOM 727 CA ARG A 52 -2.309 -13.393 -1.233 1.00 0.00 C ATOM 728 C ARG A 52 -3.499 -12.478 -1.498 1.00 0.00 C ATOM 729 O ARG A 52 -4.486 -12.575 -0.771 1.00 0.00 O ATOM 730 CB ARG A 52 -1.313 -12.657 -0.328 1.00 0.00 C ATOM 731 CG ARG A 52 -0.136 -13.521 0.145 1.00 0.00 C ATOM 732 CD ARG A 52 0.708 -12.757 1.173 1.00 0.00 C ATOM 733 NE ARG A 52 2.134 -12.908 0.890 1.00 0.00 N ATOM 734 CZ ARG A 52 3.004 -13.776 1.406 1.00 0.00 C ATOM 735 NH1 ARG A 52 2.668 -14.577 2.412 1.00 0.00 N ATOM 736 NH2 ARG A 52 4.225 -13.832 0.887 1.00 0.00 N ATOM 0 H ARG A 52 -1.091 -13.145 -2.923 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.695 -14.289 -0.746 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.922 -11.792 -0.864 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.844 -12.277 0.545 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.509 -14.445 0.586 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.483 -13.802 -0.707 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.440 -11.701 1.157 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.491 -13.126 2.175 1.00 0.00 H new ATOM 0 HE ARG A 52 2.516 -12.259 0.202 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.728 -14.535 2.805 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.350 -15.234 2.791 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.478 -13.219 0.112 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.910 -14.488 1.264 1.00 0.00 H new ATOM 750 N LEU A 53 -3.378 -11.522 -2.418 1.00 0.00 N ATOM 751 CA LEU A 53 -4.408 -10.508 -2.668 1.00 0.00 C ATOM 752 C LEU A 53 -5.497 -11.116 -3.539 1.00 0.00 C ATOM 753 O LEU A 53 -5.189 -11.941 -4.396 1.00 0.00 O ATOM 754 CB LEU A 53 -3.798 -9.342 -3.464 1.00 0.00 C ATOM 755 CG LEU A 53 -2.931 -8.401 -2.619 1.00 0.00 C ATOM 756 CD1 LEU A 53 -1.985 -7.635 -3.552 1.00 0.00 C ATOM 757 CD2 LEU A 53 -3.784 -7.411 -1.831 1.00 0.00 C ATOM 0 H LEU A 53 -2.558 -11.426 -3.016 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.805 -10.163 -1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.194 -9.746 -4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.603 -8.766 -3.921 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.365 -8.997 -1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.361 -6.961 -2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.351 -8.342 -4.087 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.569 -7.057 -4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.137 -6.760 -1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.374 -6.809 -2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.452 -7.956 -1.164 1.00 0.00 H new ATOM 769 N HIS A 54 -6.707 -10.574 -3.478 1.00 0.00 N ATOM 770 CA HIS A 54 -7.662 -10.691 -4.574 1.00 0.00 C ATOM 771 C HIS A 54 -8.335 -9.350 -4.844 1.00 0.00 C ATOM 772 O HIS A 54 -8.422 -8.490 -3.963 1.00 0.00 O ATOM 773 CB HIS A 54 -8.690 -11.805 -4.329 1.00 0.00 C ATOM 774 CG HIS A 54 -8.183 -13.180 -4.691 1.00 0.00 C ATOM 775 ND1 HIS A 54 -8.321 -14.331 -3.951 1.00 0.00 N ATOM 776 CD2 HIS A 54 -7.571 -13.520 -5.868 1.00 0.00 C ATOM 777 CE1 HIS A 54 -7.815 -15.341 -4.681 1.00 0.00 C ATOM 778 NE2 HIS A 54 -7.331 -14.896 -5.855 1.00 0.00 N ATOM 0 H HIS A 54 -7.052 -10.046 -2.676 1.00 0.00 H new ATOM 0 HA HIS A 54 -7.107 -10.976 -5.468 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -8.979 -11.798 -3.278 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -9.589 -11.593 -4.908 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -7.317 -12.841 -6.669 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -7.799 -16.374 -4.366 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -6.882 -15.449 -6.585 1.00 0.00 H new ATOM 786 N PRO A 55 -8.789 -9.138 -6.089 1.00 0.00 N ATOM 787 CA PRO A 55 -9.444 -7.906 -6.461 1.00 0.00 C ATOM 788 C PRO A 55 -10.823 -7.813 -5.813 1.00 0.00 C ATOM 789 O PRO A 55 -11.740 -8.564 -6.154 1.00 0.00 O ATOM 790 CB PRO A 55 -9.468 -7.890 -7.981 1.00 0.00 C ATOM 791 CG PRO A 55 -9.396 -9.359 -8.376 1.00 0.00 C ATOM 792 CD PRO A 55 -8.614 -10.008 -7.246 1.00 0.00 C ATOM 0 HA PRO A 55 -8.917 -7.022 -6.102 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.376 -7.421 -8.359 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.626 -7.328 -8.386 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.390 -9.795 -8.474 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.894 -9.490 -9.335 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.986 -11.012 -7.040 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.560 -10.105 -7.506 1.00 0.00 H new ATOM 800 N GLY A 56 -10.961 -6.863 -4.899 1.00 0.00 N ATOM 801 CA GLY A 56 -12.123 -6.602 -4.075 1.00 0.00 C ATOM 802 C GLY A 56 -11.733 -6.478 -2.603 1.00 0.00 C ATOM 803 O GLY A 56 -12.541 -5.993 -1.801 1.00 0.00 O ATOM 0 H GLY A 56 -10.204 -6.208 -4.703 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.608 -5.684 -4.405 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.848 -7.407 -4.196 1.00 0.00 H new ATOM 807 N ASP A 57 -10.503 -6.880 -2.251 1.00 0.00 N ATOM 808 CA ASP A 57 -9.956 -6.763 -0.908 1.00 0.00 C ATOM 809 C ASP A 57 -9.874 -5.275 -0.581 1.00 0.00 C ATOM 810 O ASP A 57 -9.414 -4.510 -1.422 1.00 0.00 O ATOM 811 CB ASP A 57 -8.574 -7.436 -0.814 1.00 0.00 C ATOM 812 CG ASP A 57 -8.613 -8.965 -0.795 1.00 0.00 C ATOM 813 OD1 ASP A 57 -9.674 -9.542 -0.497 1.00 0.00 O ATOM 814 OD2 ASP A 57 -7.539 -9.609 -0.921 1.00 0.00 O ATOM 0 H ASP A 57 -9.853 -7.304 -2.913 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.596 -7.272 -0.187 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.967 -7.111 -1.659 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.074 -7.087 0.090 1.00 0.00 H new ATOM 819 N GLU A 58 -10.352 -4.818 0.579 1.00 0.00 N ATOM 820 CA GLU A 58 -10.268 -3.399 0.922 1.00 0.00 C ATOM 821 C GLU A 58 -8.883 -3.145 1.509 1.00 0.00 C ATOM 822 O GLU A 58 -8.509 -3.790 2.484 1.00 0.00 O ATOM 823 CB GLU A 58 -11.368 -3.010 1.910 1.00 0.00 C ATOM 824 CG GLU A 58 -11.669 -1.492 1.932 1.00 0.00 C ATOM 825 CD GLU A 58 -11.705 -0.832 3.320 1.00 0.00 C ATOM 826 OE1 GLU A 58 -11.751 -1.528 4.363 1.00 0.00 O ATOM 827 OE2 GLU A 58 -11.909 0.404 3.353 1.00 0.00 O ATOM 0 H GLU A 58 -10.796 -5.402 1.288 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.414 -2.786 0.033 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.280 -3.550 1.657 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.076 -3.329 2.911 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.916 -0.984 1.329 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.631 -1.325 1.447 1.00 0.00 H new ATOM 834 N LEU A 59 -8.124 -2.237 0.911 1.00 0.00 N ATOM 835 CA LEU A 59 -6.860 -1.739 1.431 1.00 0.00 C ATOM 836 C LEU A 59 -7.110 -0.895 2.669 1.00 0.00 C ATOM 837 O LEU A 59 -8.147 -0.239 2.801 1.00 0.00 O ATOM 838 CB LEU A 59 -6.099 -0.895 0.383 1.00 0.00 C ATOM 839 CG LEU A 59 -5.117 -1.705 -0.480 1.00 0.00 C ATOM 840 CD1 LEU A 59 -4.345 -0.784 -1.428 1.00 0.00 C ATOM 841 CD2 LEU A 59 -4.008 -2.400 0.329 1.00 0.00 C ATOM 0 H LEU A 59 -8.381 -1.813 0.020 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.244 -2.603 1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.823 -0.407 -0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.550 -0.106 0.897 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.750 -2.435 -0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.656 -1.376 -2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.046 -0.266 -2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.783 -0.052 -0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.355 -2.951 -0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.425 -1.651 0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.457 -3.091 1.043 1.00 0.00 H new ATOM 853 N VAL A 60 -6.092 -0.851 3.520 1.00 0.00 N ATOM 854 CA VAL A 60 -6.050 -0.050 4.735 1.00 0.00 C ATOM 855 C VAL A 60 -4.750 0.745 4.776 1.00 0.00 C ATOM 856 O VAL A 60 -4.788 1.945 5.053 1.00 0.00 O ATOM 857 CB VAL A 60 -6.175 -0.941 5.986 1.00 0.00 C ATOM 858 CG1 VAL A 60 -6.486 -0.074 7.214 1.00 0.00 C ATOM 859 CG2 VAL A 60 -7.244 -2.027 5.847 1.00 0.00 C ATOM 0 H VAL A 60 -5.241 -1.394 3.376 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.894 0.640 4.730 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.217 -1.447 6.106 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.573 -0.709 8.095 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.682 0.646 7.364 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.424 0.458 7.056 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.282 -2.619 6.761 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.215 -1.562 5.676 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.998 -2.674 5.005 1.00 0.00 H new ATOM 869 N TYR A 61 -3.619 0.099 4.474 1.00 0.00 N ATOM 870 CA TYR A 61 -2.295 0.698 4.519 1.00 0.00 C ATOM 871 C TYR A 61 -1.534 0.349 3.253 1.00 0.00 C ATOM 872 O TYR A 61 -1.722 -0.743 2.712 1.00 0.00 O ATOM 873 CB TYR A 61 -1.503 0.181 5.723 1.00 0.00 C ATOM 874 CG TYR A 61 -2.038 0.558 7.087 1.00 0.00 C ATOM 875 CD1 TYR A 61 -1.571 1.727 7.704 1.00 0.00 C ATOM 876 CD2 TYR A 61 -2.932 -0.281 7.774 1.00 0.00 C ATOM 877 CE1 TYR A 61 -2.005 2.082 8.990 1.00 0.00 C ATOM 878 CE2 TYR A 61 -3.356 0.044 9.072 1.00 0.00 C ATOM 879 CZ TYR A 61 -2.893 1.231 9.680 1.00 0.00 C ATOM 880 OH TYR A 61 -3.307 1.567 10.926 1.00 0.00 O ATOM 0 H TYR A 61 -3.606 -0.879 4.185 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.414 1.778 4.606 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -1.457 -0.906 5.662 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.480 0.548 5.643 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.869 2.362 7.183 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.295 -1.181 7.300 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -1.662 2.998 9.447 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.032 -0.610 9.602 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.917 0.879 11.265 1.00 0.00 H new ATOM 890 N VAL A 62 -0.649 1.252 2.834 1.00 0.00 N ATOM 891 CA VAL A 62 0.262 1.073 1.717 1.00 0.00 C ATOM 892 C VAL A 62 1.610 1.621 2.156 1.00 0.00 C ATOM 893 O VAL A 62 1.712 2.771 2.580 1.00 0.00 O ATOM 894 CB VAL A 62 -0.275 1.761 0.450 1.00 0.00 C ATOM 895 CG1 VAL A 62 0.721 1.670 -0.720 1.00 0.00 C ATOM 896 CG2 VAL A 62 -1.592 1.093 0.026 1.00 0.00 C ATOM 0 H VAL A 62 -0.547 2.162 3.284 1.00 0.00 H new ATOM 0 HA VAL A 62 0.363 0.021 1.452 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.430 2.813 0.688 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.302 2.168 -1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.656 2.154 -0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.911 0.623 -0.956 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.974 1.579 -0.872 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.415 0.038 -0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.323 1.188 0.829 1.00 0.00 H new ATOM 906 N ASP A 63 2.621 0.760 2.096 1.00 0.00 N ATOM 907 CA ASP A 63 3.993 0.936 2.575 1.00 0.00 C ATOM 908 C ASP A 63 4.079 1.359 4.049 1.00 0.00 C ATOM 909 O ASP A 63 5.134 1.748 4.549 1.00 0.00 O ATOM 910 CB ASP A 63 4.808 1.802 1.595 1.00 0.00 C ATOM 911 CG ASP A 63 6.286 1.390 1.554 1.00 0.00 C ATOM 912 OD1 ASP A 63 6.549 0.166 1.648 1.00 0.00 O ATOM 913 OD2 ASP A 63 7.158 2.264 1.354 1.00 0.00 O ATOM 0 H ASP A 63 2.493 -0.160 1.675 1.00 0.00 H new ATOM 0 HA ASP A 63 4.474 -0.042 2.580 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.381 1.718 0.596 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.732 2.849 1.887 1.00 0.00 H new ATOM 918 N GLY A 64 2.958 1.222 4.762 1.00 0.00 N ATOM 919 CA GLY A 64 2.768 1.511 6.169 1.00 0.00 C ATOM 920 C GLY A 64 1.881 2.728 6.423 1.00 0.00 C ATOM 921 O GLY A 64 1.492 2.951 7.569 1.00 0.00 O ATOM 0 H GLY A 64 2.100 0.880 4.329 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.326 0.641 6.655 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.740 1.676 6.633 1.00 0.00 H new ATOM 925 N ILE A 65 1.520 3.528 5.416 1.00 0.00 N ATOM 926 CA ILE A 65 0.753 4.743 5.611 1.00 0.00 C ATOM 927 C ILE A 65 -0.717 4.379 5.401 1.00 0.00 C ATOM 928 O ILE A 65 -1.050 3.713 4.415 1.00 0.00 O ATOM 929 CB ILE A 65 1.257 5.803 4.616 1.00 0.00 C ATOM 930 CG1 ILE A 65 2.734 6.194 4.875 1.00 0.00 C ATOM 931 CG2 ILE A 65 0.415 7.087 4.701 1.00 0.00 C ATOM 932 CD1 ILE A 65 3.801 5.185 4.429 1.00 0.00 C ATOM 0 H ILE A 65 1.757 3.343 4.441 1.00 0.00 H new ATOM 0 HA ILE A 65 0.867 5.164 6.610 1.00 0.00 H new ATOM 0 HB ILE A 65 1.168 5.350 3.628 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.929 7.141 4.371 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.857 6.370 5.944 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.794 7.818 3.987 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.624 6.857 4.468 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.478 7.497 5.709 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.791 5.574 4.665 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.649 4.240 4.951 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.722 5.023 3.354 1.00 0.00 H new ATOM 944 N PRO A 66 -1.608 4.762 6.328 1.00 0.00 N ATOM 945 CA PRO A 66 -3.015 4.424 6.256 1.00 0.00 C ATOM 946 C PRO A 66 -3.653 5.241 5.143 1.00 0.00 C ATOM 947 O PRO A 66 -3.817 6.459 5.261 1.00 0.00 O ATOM 948 CB PRO A 66 -3.622 4.717 7.628 1.00 0.00 C ATOM 949 CG PRO A 66 -2.619 5.666 8.276 1.00 0.00 C ATOM 950 CD PRO A 66 -1.313 5.527 7.522 1.00 0.00 C ATOM 0 HA PRO A 66 -3.184 3.373 6.021 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.607 5.176 7.540 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.746 3.806 8.213 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.980 6.694 8.233 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.483 5.420 9.329 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.907 6.505 7.266 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.565 5.021 8.132 1.00 0.00 H new ATOM 958 N VAL A 67 -4.046 4.568 4.068 1.00 0.00 N ATOM 959 CA VAL A 67 -4.819 5.165 2.989 1.00 0.00 C ATOM 960 C VAL A 67 -6.269 5.416 3.426 1.00 0.00 C ATOM 961 O VAL A 67 -7.020 6.065 2.704 1.00 0.00 O ATOM 962 CB VAL A 67 -4.725 4.284 1.727 1.00 0.00 C ATOM 963 CG1 VAL A 67 -3.253 4.109 1.310 1.00 0.00 C ATOM 964 CG2 VAL A 67 -5.351 2.887 1.859 1.00 0.00 C ATOM 0 H VAL A 67 -3.834 3.581 3.921 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.399 6.140 2.742 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.304 4.820 0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.199 3.485 0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.817 5.085 1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.700 3.633 2.119 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.234 2.346 0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.852 2.339 2.659 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.411 2.984 2.092 1.00 0.00 H new ATOM 974 N ALA A 68 -6.666 4.924 4.607 1.00 0.00 N ATOM 975 CA ALA A 68 -8.045 4.936 5.063 1.00 0.00 C ATOM 976 C ALA A 68 -8.554 6.378 5.131 1.00 0.00 C ATOM 977 O ALA A 68 -7.970 7.209 5.835 1.00 0.00 O ATOM 978 CB ALA A 68 -8.141 4.218 6.412 1.00 0.00 C ATOM 0 H ALA A 68 -6.022 4.502 5.276 1.00 0.00 H new ATOM 0 HA ALA A 68 -8.683 4.401 4.359 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -9.175 4.226 6.756 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.804 3.188 6.301 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.512 4.729 7.141 1.00 0.00 H new ATOM 984 N GLY A 69 -9.610 6.686 4.381 1.00 0.00 N ATOM 985 CA GLY A 69 -10.249 7.996 4.323 1.00 0.00 C ATOM 986 C GLY A 69 -9.626 8.974 3.322 1.00 0.00 C ATOM 987 O GLY A 69 -10.173 10.053 3.084 1.00 0.00 O ATOM 0 H GLY A 69 -10.061 6.002 3.774 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.300 7.860 4.070 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.216 8.445 5.316 1.00 0.00 H new ATOM 991 N LYS A 70 -8.475 8.643 2.738 1.00 0.00 N ATOM 992 CA LYS A 70 -7.838 9.417 1.686 1.00 0.00 C ATOM 993 C LYS A 70 -8.465 9.049 0.347 1.00 0.00 C ATOM 994 O LYS A 70 -9.312 8.160 0.268 1.00 0.00 O ATOM 995 CB LYS A 70 -6.332 9.165 1.757 1.00 0.00 C ATOM 996 CG LYS A 70 -5.800 9.442 3.177 1.00 0.00 C ATOM 997 CD LYS A 70 -5.985 10.909 3.562 1.00 0.00 C ATOM 998 CE LYS A 70 -5.283 11.278 4.866 1.00 0.00 C ATOM 999 NZ LYS A 70 -6.114 10.963 6.044 1.00 0.00 N ATOM 0 H LYS A 70 -7.950 7.807 2.994 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.992 10.489 1.810 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.117 8.134 1.478 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.817 9.804 1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.321 8.807 3.893 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.743 9.180 3.229 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.603 11.540 2.759 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.050 11.122 3.656 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.337 10.741 4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.046 12.342 4.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.603 11.228 6.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.006 11.495 5.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.319 9.944 6.061 1.00 0.00 H new ATOM 1013 N THR A 71 -8.083 9.765 -0.699 1.00 0.00 N ATOM 1014 CA THR A 71 -8.561 9.514 -2.043 1.00 0.00 C ATOM 1015 C THR A 71 -7.577 8.589 -2.772 1.00 0.00 C ATOM 1016 O THR A 71 -6.472 8.338 -2.291 1.00 0.00 O ATOM 1017 CB THR A 71 -8.783 10.863 -2.745 1.00 0.00 C ATOM 1018 OG1 THR A 71 -7.649 11.705 -2.604 1.00 0.00 O ATOM 1019 CG2 THR A 71 -9.987 11.595 -2.147 1.00 0.00 C ATOM 0 H THR A 71 -7.426 10.543 -0.635 1.00 0.00 H new ATOM 0 HA THR A 71 -9.519 8.994 -2.039 1.00 0.00 H new ATOM 0 HB THR A 71 -8.958 10.647 -3.799 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.815 12.556 -3.061 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.125 12.547 -2.659 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.882 10.984 -2.269 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.813 11.776 -1.086 1.00 0.00 H new ATOM 1027 N HIS A 72 -7.954 8.083 -3.947 1.00 0.00 N ATOM 1028 CA HIS A 72 -7.128 7.206 -4.772 1.00 0.00 C ATOM 1029 C HIS A 72 -5.731 7.788 -5.010 1.00 0.00 C ATOM 1030 O HIS A 72 -4.739 7.080 -4.830 1.00 0.00 O ATOM 1031 CB HIS A 72 -7.866 6.951 -6.091 1.00 0.00 C ATOM 1032 CG HIS A 72 -7.030 6.292 -7.154 1.00 0.00 C ATOM 1033 ND1 HIS A 72 -6.415 6.931 -8.206 1.00 0.00 N ATOM 1034 CD2 HIS A 72 -6.757 4.957 -7.258 1.00 0.00 C ATOM 1035 CE1 HIS A 72 -5.792 5.996 -8.936 1.00 0.00 C ATOM 1036 NE2 HIS A 72 -5.952 4.781 -8.388 1.00 0.00 N ATOM 0 H HIS A 72 -8.866 8.278 -4.360 1.00 0.00 H new ATOM 0 HA HIS A 72 -6.971 6.262 -4.249 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.736 6.326 -5.891 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.237 7.901 -6.475 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -7.100 4.181 -6.590 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -5.237 6.193 -9.841 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -5.563 3.902 -8.729 1.00 0.00 H new ATOM 1044 N ARG A 73 -5.618 9.071 -5.371 1.00 0.00 N ATOM 1045 CA ARG A 73 -4.329 9.679 -5.682 1.00 0.00 C ATOM 1046 C ARG A 73 -3.350 9.610 -4.510 1.00 0.00 C ATOM 1047 O ARG A 73 -2.155 9.452 -4.742 1.00 0.00 O ATOM 1048 CB ARG A 73 -4.518 11.119 -6.155 1.00 0.00 C ATOM 1049 CG ARG A 73 -3.143 11.658 -6.567 1.00 0.00 C ATOM 1050 CD ARG A 73 -3.241 12.704 -7.665 1.00 0.00 C ATOM 1051 NE ARG A 73 -3.643 14.021 -7.150 1.00 0.00 N ATOM 1052 CZ ARG A 73 -2.850 14.906 -6.533 1.00 0.00 C ATOM 1053 NH1 ARG A 73 -1.582 14.610 -6.247 1.00 0.00 N ATOM 1054 NH2 ARG A 73 -3.343 16.087 -6.203 1.00 0.00 N ATOM 0 H ARG A 73 -6.411 9.707 -5.454 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.886 9.098 -6.491 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.211 11.158 -6.995 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.946 11.730 -5.360 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.649 12.092 -5.697 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.519 10.832 -6.909 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.277 12.792 -8.167 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.961 12.374 -8.414 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.620 14.286 -7.275 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.202 13.697 -6.499 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.992 15.296 -5.777 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.314 16.313 -6.419 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.752 16.773 -5.732 1.00 0.00 H new ATOM 1068 N TYR A 74 -3.851 9.687 -3.275 1.00 0.00 N ATOM 1069 CA TYR A 74 -3.059 9.503 -2.061 1.00 0.00 C ATOM 1070 C TYR A 74 -2.206 8.236 -2.192 1.00 0.00 C ATOM 1071 O TYR A 74 -1.001 8.240 -1.959 1.00 0.00 O ATOM 1072 CB TYR A 74 -3.994 9.418 -0.854 1.00 0.00 C ATOM 1073 CG TYR A 74 -3.307 9.473 0.492 1.00 0.00 C ATOM 1074 CD1 TYR A 74 -2.888 8.282 1.108 1.00 0.00 C ATOM 1075 CD2 TYR A 74 -3.183 10.698 1.172 1.00 0.00 C ATOM 1076 CE1 TYR A 74 -2.304 8.310 2.384 1.00 0.00 C ATOM 1077 CE2 TYR A 74 -2.576 10.741 2.438 1.00 0.00 C ATOM 1078 CZ TYR A 74 -2.125 9.546 3.046 1.00 0.00 C ATOM 1079 OH TYR A 74 -1.568 9.590 4.286 1.00 0.00 O ATOM 0 H TYR A 74 -4.835 9.882 -3.090 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.389 10.351 -1.919 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.713 10.235 -0.912 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.562 8.490 -0.918 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.016 7.339 0.597 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.555 11.606 0.721 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.993 7.391 2.858 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.454 11.686 2.947 1.00 0.00 H new ATOM 0 HH TYR A 74 -1.520 10.520 4.590 1.00 0.00 H new ATOM 1089 N VAL A 75 -2.828 7.138 -2.614 1.00 0.00 N ATOM 1090 CA VAL A 75 -2.178 5.848 -2.737 1.00 0.00 C ATOM 1091 C VAL A 75 -1.219 5.833 -3.933 1.00 0.00 C ATOM 1092 O VAL A 75 -0.168 5.206 -3.865 1.00 0.00 O ATOM 1093 CB VAL A 75 -3.250 4.753 -2.894 1.00 0.00 C ATOM 1094 CG1 VAL A 75 -2.547 3.427 -2.612 1.00 0.00 C ATOM 1095 CG2 VAL A 75 -4.449 4.947 -1.951 1.00 0.00 C ATOM 0 H VAL A 75 -3.812 7.125 -2.883 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.593 5.657 -1.838 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.671 4.788 -3.899 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.261 2.609 -2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.735 3.287 -3.326 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.142 3.438 -1.600 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.170 4.145 -2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.105 4.928 -0.917 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.923 5.906 -2.158 1.00 0.00 H new ATOM 1105 N ILE A 76 -1.542 6.510 -5.034 1.00 0.00 N ATOM 1106 CA ILE A 76 -0.648 6.627 -6.187 1.00 0.00 C ATOM 1107 C ILE A 76 0.638 7.360 -5.791 1.00 0.00 C ATOM 1108 O ILE A 76 1.720 7.015 -6.280 1.00 0.00 O ATOM 1109 CB ILE A 76 -1.401 7.304 -7.354 1.00 0.00 C ATOM 1110 CG1 ILE A 76 -2.647 6.492 -7.775 1.00 0.00 C ATOM 1111 CG2 ILE A 76 -0.507 7.555 -8.577 1.00 0.00 C ATOM 1112 CD1 ILE A 76 -2.359 5.068 -8.252 1.00 0.00 C ATOM 0 H ILE A 76 -2.432 6.994 -5.153 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.342 5.639 -6.531 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.720 8.274 -6.974 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.334 6.444 -6.930 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.160 7.030 -8.572 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.092 8.032 -9.363 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.321 8.205 -8.295 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.115 6.606 -8.942 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.294 4.580 -8.525 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.700 5.101 -9.120 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.877 4.507 -7.452 1.00 0.00 H new ATOM 1124 N ASP A 77 0.527 8.336 -4.892 1.00 0.00 N ATOM 1125 CA ASP A 77 1.652 9.054 -4.313 1.00 0.00 C ATOM 1126 C ASP A 77 2.484 8.104 -3.447 1.00 0.00 C ATOM 1127 O ASP A 77 3.714 8.094 -3.552 1.00 0.00 O ATOM 1128 CB ASP A 77 1.126 10.228 -3.475 1.00 0.00 C ATOM 1129 CG ASP A 77 2.098 11.401 -3.491 1.00 0.00 C ATOM 1130 OD1 ASP A 77 2.052 12.193 -4.457 1.00 0.00 O ATOM 1131 OD2 ASP A 77 2.902 11.535 -2.541 1.00 0.00 O ATOM 0 H ASP A 77 -0.375 8.655 -4.539 1.00 0.00 H new ATOM 0 HA ASP A 77 2.289 9.443 -5.107 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.159 10.549 -3.862 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.965 9.901 -2.448 1.00 0.00 H new ATOM 1136 N LEU A 78 1.824 7.248 -2.649 1.00 0.00 N ATOM 1137 CA LEU A 78 2.489 6.233 -1.836 1.00 0.00 C ATOM 1138 C LEU A 78 3.234 5.234 -2.696 1.00 0.00 C ATOM 1139 O LEU A 78 4.380 4.906 -2.407 1.00 0.00 O ATOM 1140 CB LEU A 78 1.494 5.420 -0.986 1.00 0.00 C ATOM 1141 CG LEU A 78 1.233 5.864 0.448 1.00 0.00 C ATOM 1142 CD1 LEU A 78 2.508 6.336 1.147 1.00 0.00 C ATOM 1143 CD2 LEU A 78 0.182 6.939 0.638 1.00 0.00 C ATOM 0 H LEU A 78 0.808 7.246 -2.554 1.00 0.00 H new ATOM 0 HA LEU A 78 3.173 6.786 -1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.538 5.413 -1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.848 4.390 -0.955 1.00 0.00 H new ATOM 0 HG LEU A 78 0.842 4.952 0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.272 6.642 2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.232 5.522 1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.930 7.181 0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.086 7.170 1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.478 7.837 0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.775 6.584 0.256 1.00 0.00 H new ATOM 1155 N MET A 79 2.583 4.731 -3.740 1.00 0.00 N ATOM 1156 CA MET A 79 3.170 3.790 -4.681 1.00 0.00 C ATOM 1157 C MET A 79 4.463 4.355 -5.266 1.00 0.00 C ATOM 1158 O MET A 79 5.330 3.586 -5.682 1.00 0.00 O ATOM 1159 CB MET A 79 2.185 3.499 -5.822 1.00 0.00 C ATOM 1160 CG MET A 79 0.934 2.722 -5.411 1.00 0.00 C ATOM 1161 SD MET A 79 0.953 0.976 -5.878 1.00 0.00 S ATOM 1162 CE MET A 79 2.190 0.384 -4.703 1.00 0.00 C ATOM 0 H MET A 79 1.616 4.972 -3.958 1.00 0.00 H new ATOM 0 HA MET A 79 3.392 2.867 -4.146 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.877 4.445 -6.267 1.00 0.00 H new ATOM 0 HB3 MET A 79 2.706 2.937 -6.597 1.00 0.00 H new ATOM 0 HG2 MET A 79 0.814 2.795 -4.330 1.00 0.00 H new ATOM 0 HG3 MET A 79 0.062 3.197 -5.861 1.00 0.00 H new ATOM 0 HE1 MET A 79 2.175 -0.706 -4.677 1.00 0.00 H new ATOM 0 HE2 MET A 79 3.178 0.726 -5.012 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.965 0.774 -3.710 1.00 0.00 H new ATOM 1172 N HIS A 80 4.600 5.680 -5.350 1.00 0.00 N ATOM 1173 CA HIS A 80 5.816 6.318 -5.817 1.00 0.00 C ATOM 1174 C HIS A 80 6.931 6.178 -4.779 1.00 0.00 C ATOM 1175 O HIS A 80 8.051 5.827 -5.147 1.00 0.00 O ATOM 1176 CB HIS A 80 5.532 7.782 -6.173 1.00 0.00 C ATOM 1177 CG HIS A 80 5.969 8.107 -7.574 1.00 0.00 C ATOM 1178 ND1 HIS A 80 7.240 7.945 -8.076 1.00 0.00 N ATOM 1179 CD2 HIS A 80 5.157 8.522 -8.594 1.00 0.00 C ATOM 1180 CE1 HIS A 80 7.198 8.265 -9.379 1.00 0.00 C ATOM 1181 NE2 HIS A 80 5.950 8.609 -9.748 1.00 0.00 N ATOM 0 H HIS A 80 3.863 6.337 -5.093 1.00 0.00 H new ATOM 0 HA HIS A 80 6.163 5.819 -6.722 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.466 7.982 -6.069 1.00 0.00 H new ATOM 0 HB3 HIS A 80 6.049 8.435 -5.470 1.00 0.00 H new ATOM 0 HD2 HIS A 80 4.102 8.742 -8.524 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.051 8.249 -10.042 1.00 0.00 H new ATOM 0 HE2 HIS A 80 5.642 8.879 -10.682 1.00 0.00 H new ATOM 1189 N HIS A 81 6.628 6.418 -3.500 1.00 0.00 N ATOM 1190 CA HIS A 81 7.558 6.231 -2.396 1.00 0.00 C ATOM 1191 C HIS A 81 7.965 4.767 -2.255 1.00 0.00 C ATOM 1192 O HIS A 81 9.151 4.459 -2.184 1.00 0.00 O ATOM 1193 CB HIS A 81 6.939 6.778 -1.107 1.00 0.00 C ATOM 1194 CG HIS A 81 7.429 8.178 -0.859 1.00 0.00 C ATOM 1195 ND1 HIS A 81 8.627 8.509 -0.269 1.00 0.00 N ATOM 1196 CD2 HIS A 81 6.851 9.331 -1.313 1.00 0.00 C ATOM 1197 CE1 HIS A 81 8.768 9.840 -0.362 1.00 0.00 C ATOM 1198 NE2 HIS A 81 7.731 10.381 -1.027 1.00 0.00 N ATOM 0 H HIS A 81 5.712 6.754 -3.203 1.00 0.00 H new ATOM 0 HA HIS A 81 8.472 6.788 -2.603 1.00 0.00 H new ATOM 0 HB2 HIS A 81 5.852 6.772 -1.184 1.00 0.00 H new ATOM 0 HB3 HIS A 81 7.202 6.137 -0.266 1.00 0.00 H new ATOM 0 HD2 HIS A 81 5.892 9.416 -1.802 1.00 0.00 H new ATOM 0 HE1 HIS A 81 9.599 10.400 0.041 1.00 0.00 H new ATOM 0 HE2 HIS A 81 7.610 11.363 -1.274 1.00 0.00 H new ATOM 1206 N ALA A 82 7.000 3.855 -2.291 1.00 0.00 N ATOM 1207 CA ALA A 82 7.220 2.422 -2.204 1.00 0.00 C ATOM 1208 C ALA A 82 8.166 1.946 -3.320 1.00 0.00 C ATOM 1209 O ALA A 82 9.112 1.187 -3.090 1.00 0.00 O ATOM 1210 CB ALA A 82 5.843 1.762 -2.279 1.00 0.00 C ATOM 0 H ALA A 82 6.015 4.103 -2.384 1.00 0.00 H new ATOM 0 HA ALA A 82 7.710 2.147 -1.270 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.955 0.679 -2.218 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.227 2.111 -1.450 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.365 2.024 -3.223 1.00 0.00 H new ATOM 1216 N ALA A 83 7.959 2.442 -4.547 1.00 0.00 N ATOM 1217 CA ALA A 83 8.837 2.165 -5.678 1.00 0.00 C ATOM 1218 C ALA A 83 10.266 2.695 -5.467 1.00 0.00 C ATOM 1219 O ALA A 83 11.208 2.170 -6.074 1.00 0.00 O ATOM 1220 CB ALA A 83 8.224 2.764 -6.945 1.00 0.00 C ATOM 0 H ALA A 83 7.172 3.049 -4.778 1.00 0.00 H new ATOM 0 HA ALA A 83 8.924 1.083 -5.777 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.875 2.561 -7.795 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.246 2.317 -7.122 1.00 0.00 H new ATOM 0 HB3 ALA A 83 8.114 3.841 -6.822 1.00 0.00 H new ATOM 1226 N ARG A 84 10.458 3.712 -4.616 1.00 0.00 N ATOM 1227 CA ARG A 84 11.786 4.138 -4.171 1.00 0.00 C ATOM 1228 C ARG A 84 12.326 3.096 -3.222 1.00 0.00 C ATOM 1229 O ARG A 84 13.369 2.502 -3.498 1.00 0.00 O ATOM 1230 CB ARG A 84 11.812 5.524 -3.502 1.00 0.00 C ATOM 1231 CG ARG A 84 11.117 6.559 -4.381 1.00 0.00 C ATOM 1232 CD ARG A 84 11.913 7.854 -4.547 1.00 0.00 C ATOM 1233 NE ARG A 84 11.469 8.544 -5.761 1.00 0.00 N ATOM 1234 CZ ARG A 84 11.663 8.086 -7.003 1.00 0.00 C ATOM 1235 NH1 ARG A 84 12.521 7.086 -7.225 1.00 0.00 N ATOM 1236 NH2 ARG A 84 10.964 8.609 -8.002 1.00 0.00 N ATOM 0 H ARG A 84 9.695 4.261 -4.218 1.00 0.00 H new ATOM 0 HA ARG A 84 12.409 4.233 -5.060 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.319 5.474 -2.531 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.843 5.827 -3.321 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.935 6.125 -5.364 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.143 6.793 -3.951 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.771 8.496 -3.678 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.979 7.634 -4.609 1.00 0.00 H new ATOM 0 HE ARG A 84 10.980 9.432 -5.652 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.031 6.669 -6.446 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.666 6.740 -8.173 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.289 9.351 -7.818 1.00 0.00 H new ATOM 0 HH22 ARG A 84 11.102 8.269 -8.954 1.00 0.00 H new ATOM 1250 N ASN A 85 11.593 2.873 -2.130 1.00 0.00 N ATOM 1251 CA ASN A 85 12.061 2.120 -0.979 1.00 0.00 C ATOM 1252 C ASN A 85 12.493 0.729 -1.417 1.00 0.00 C ATOM 1253 O ASN A 85 13.588 0.296 -1.065 1.00 0.00 O ATOM 1254 CB ASN A 85 10.955 2.063 0.095 1.00 0.00 C ATOM 1255 CG ASN A 85 10.757 3.408 0.792 1.00 0.00 C ATOM 1256 OD1 ASN A 85 11.683 4.215 0.869 1.00 0.00 O ATOM 1257 ND2 ASN A 85 9.570 3.695 1.295 1.00 0.00 N ATOM 0 H ASN A 85 10.640 3.220 -2.025 1.00 0.00 H new ATOM 0 HA ASN A 85 12.926 2.616 -0.539 1.00 0.00 H new ATOM 0 HB2 ASN A 85 10.018 1.754 -0.367 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.210 1.306 0.836 1.00 0.00 H new ATOM 0 HD21 ASN A 85 9.414 4.593 1.753 1.00 0.00 H new ATOM 0 HD22 ASN A 85 8.810 3.019 1.226 1.00 0.00 H new ATOM 1264 N GLY A 86 11.742 0.128 -2.343 1.00 0.00 N ATOM 1265 CA GLY A 86 12.102 -1.110 -3.014 1.00 0.00 C ATOM 1266 C GLY A 86 11.167 -2.264 -2.662 1.00 0.00 C ATOM 1267 O GLY A 86 11.430 -3.407 -3.039 1.00 0.00 O ATOM 0 H GLY A 86 10.845 0.504 -2.650 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.087 -0.952 -4.092 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.123 -1.380 -2.746 1.00 0.00 H new ATOM 1271 N GLN A 87 10.064 -1.980 -1.971 1.00 0.00 N ATOM 1272 CA GLN A 87 9.044 -2.931 -1.565 1.00 0.00 C ATOM 1273 C GLN A 87 7.709 -2.203 -1.514 1.00 0.00 C ATOM 1274 O GLN A 87 7.666 -0.988 -1.695 1.00 0.00 O ATOM 1275 CB GLN A 87 9.419 -3.537 -0.201 1.00 0.00 C ATOM 1276 CG GLN A 87 9.465 -2.533 0.964 1.00 0.00 C ATOM 1277 CD GLN A 87 10.323 -3.007 2.140 1.00 0.00 C ATOM 1278 OE1 GLN A 87 11.136 -3.925 2.047 1.00 0.00 O ATOM 1279 NE2 GLN A 87 10.182 -2.387 3.297 1.00 0.00 N ATOM 0 H GLN A 87 9.852 -1.030 -1.666 1.00 0.00 H new ATOM 0 HA GLN A 87 8.968 -3.753 -2.277 1.00 0.00 H new ATOM 0 HB2 GLN A 87 8.701 -4.320 0.042 1.00 0.00 H new ATOM 0 HB3 GLN A 87 10.395 -4.015 -0.288 1.00 0.00 H new ATOM 0 HG2 GLN A 87 9.854 -1.582 0.600 1.00 0.00 H new ATOM 0 HG3 GLN A 87 8.450 -2.348 1.315 1.00 0.00 H new ATOM 0 HE21 GLN A 87 9.511 -1.624 3.388 1.00 0.00 H new ATOM 0 HE22 GLN A 87 10.744 -2.671 4.100 1.00 0.00 H new ATOM 1288 N VAL A 88 6.628 -2.924 -1.243 1.00 0.00 N ATOM 1289 CA VAL A 88 5.437 -2.321 -0.682 1.00 0.00 C ATOM 1290 C VAL A 88 4.851 -3.333 0.287 1.00 0.00 C ATOM 1291 O VAL A 88 4.669 -4.507 -0.055 1.00 0.00 O ATOM 1292 CB VAL A 88 4.470 -1.851 -1.789 1.00 0.00 C ATOM 1293 CG1 VAL A 88 3.828 -2.983 -2.601 1.00 0.00 C ATOM 1294 CG2 VAL A 88 3.377 -0.950 -1.211 1.00 0.00 C ATOM 0 H VAL A 88 6.557 -3.929 -1.405 1.00 0.00 H new ATOM 0 HA VAL A 88 5.660 -1.406 -0.133 1.00 0.00 H new ATOM 0 HB VAL A 88 5.094 -1.292 -2.486 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.165 -2.559 -3.355 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.607 -3.567 -3.090 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.255 -3.629 -1.935 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.708 -0.631 -2.010 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.810 -1.501 -0.461 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.834 -0.074 -0.749 1.00 0.00 H new ATOM 1304 N ASN A 89 4.584 -2.891 1.508 1.00 0.00 N ATOM 1305 CA ASN A 89 3.684 -3.600 2.404 1.00 0.00 C ATOM 1306 C ASN A 89 2.267 -3.133 2.068 1.00 0.00 C ATOM 1307 O ASN A 89 2.072 -1.949 1.796 1.00 0.00 O ATOM 1308 CB ASN A 89 4.055 -3.281 3.860 1.00 0.00 C ATOM 1309 CG ASN A 89 4.352 -4.567 4.622 1.00 0.00 C ATOM 1310 OD1 ASN A 89 5.387 -5.191 4.389 1.00 0.00 O ATOM 1311 ND2 ASN A 89 3.474 -5.003 5.507 1.00 0.00 N ATOM 0 H ASN A 89 4.982 -2.038 1.902 1.00 0.00 H new ATOM 0 HA ASN A 89 3.756 -4.681 2.283 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.925 -2.625 3.886 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.238 -2.745 4.342 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.648 -5.872 6.012 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.622 -4.471 5.685 1.00 0.00 H new ATOM 1318 N LEU A 90 1.285 -4.028 2.046 1.00 0.00 N ATOM 1319 CA LEU A 90 -0.106 -3.738 1.717 1.00 0.00 C ATOM 1320 C LEU A 90 -0.920 -4.475 2.761 1.00 0.00 C ATOM 1321 O LEU A 90 -0.910 -5.706 2.792 1.00 0.00 O ATOM 1322 CB LEU A 90 -0.501 -4.231 0.309 1.00 0.00 C ATOM 1323 CG LEU A 90 0.291 -3.644 -0.862 1.00 0.00 C ATOM 1324 CD1 LEU A 90 0.050 -4.486 -2.119 1.00 0.00 C ATOM 1325 CD2 LEU A 90 -0.093 -2.191 -1.117 1.00 0.00 C ATOM 0 H LEU A 90 1.442 -5.012 2.265 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.278 -2.662 1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.395 -5.316 0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.557 -4.010 0.153 1.00 0.00 H new ATOM 0 HG LEU A 90 1.351 -3.667 -0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.615 -4.067 -2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.376 -5.510 -1.939 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.013 -4.481 -2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.487 -1.803 -1.954 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.156 -2.131 -1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.115 -1.598 -0.226 1.00 0.00 H new ATOM 1337 N THR A 91 -1.581 -3.743 3.640 1.00 0.00 N ATOM 1338 CA THR A 91 -2.521 -4.338 4.569 1.00 0.00 C ATOM 1339 C THR A 91 -3.882 -4.182 3.905 1.00 0.00 C ATOM 1340 O THR A 91 -4.328 -3.051 3.692 1.00 0.00 O ATOM 1341 CB THR A 91 -2.456 -3.562 5.895 1.00 0.00 C ATOM 1342 OG1 THR A 91 -1.173 -3.725 6.457 1.00 0.00 O ATOM 1343 CG2 THR A 91 -3.540 -3.904 6.926 1.00 0.00 C ATOM 0 H THR A 91 -1.482 -2.732 3.729 1.00 0.00 H new ATOM 0 HA THR A 91 -2.312 -5.385 4.790 1.00 0.00 H new ATOM 0 HB THR A 91 -2.655 -2.522 5.638 1.00 0.00 H new ATOM 0 HG1 THR A 91 -1.121 -3.232 7.302 1.00 0.00 H new ATOM 0 HG21 THR A 91 -3.396 -3.297 7.820 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.523 -3.698 6.502 1.00 0.00 H new ATOM 0 HG23 THR A 91 -3.472 -4.960 7.189 1.00 0.00 H new ATOM 1351 N VAL A 92 -4.524 -5.294 3.558 1.00 0.00 N ATOM 1352 CA VAL A 92 -5.938 -5.308 3.196 1.00 0.00 C ATOM 1353 C VAL A 92 -6.743 -5.791 4.408 1.00 0.00 C ATOM 1354 O VAL A 92 -6.160 -6.205 5.407 1.00 0.00 O ATOM 1355 CB VAL A 92 -6.189 -6.142 1.922 1.00 0.00 C ATOM 1356 CG1 VAL A 92 -5.517 -5.554 0.678 1.00 0.00 C ATOM 1357 CG2 VAL A 92 -5.754 -7.605 2.045 1.00 0.00 C ATOM 0 H VAL A 92 -4.079 -6.211 3.520 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.272 -4.302 2.943 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.272 -6.104 1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.731 -6.186 -0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.902 -4.550 0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.439 -5.507 0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.962 -8.126 1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.686 -7.650 2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.304 -8.081 2.856 1.00 0.00 H new ATOM 1367 N ARG A 93 -8.074 -5.772 4.364 1.00 0.00 N ATOM 1368 CA ARG A 93 -8.929 -6.337 5.405 1.00 0.00 C ATOM 1369 C ARG A 93 -10.237 -6.805 4.809 1.00 0.00 C ATOM 1370 O ARG A 93 -10.622 -6.316 3.742 1.00 0.00 O ATOM 1371 CB ARG A 93 -9.156 -5.289 6.504 1.00 0.00 C ATOM 1372 CG ARG A 93 -10.063 -4.105 6.161 1.00 0.00 C ATOM 1373 CD ARG A 93 -10.211 -3.150 7.347 1.00 0.00 C ATOM 1374 NE ARG A 93 -10.481 -1.767 6.915 1.00 0.00 N ATOM 1375 CZ ARG A 93 -10.121 -0.662 7.583 1.00 0.00 C ATOM 1376 NH1 ARG A 93 -9.458 -0.721 8.738 1.00 0.00 N ATOM 1377 NH2 ARG A 93 -10.428 0.536 7.099 1.00 0.00 N ATOM 0 H ARG A 93 -8.596 -5.357 3.592 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.441 -7.204 5.851 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.575 -5.796 7.373 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -8.184 -4.896 6.802 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -9.652 -3.566 5.307 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.045 -4.472 5.863 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -11.022 -3.493 7.989 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.300 -3.171 7.945 1.00 0.00 H new ATOM 0 HE ARG A 93 -10.983 -1.640 6.036 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -9.210 -1.626 9.138 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -9.199 0.139 9.222 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.938 0.615 6.219 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.154 1.377 7.607 1.00 0.00 H new ATOM 1391 N ARG A 94 -10.960 -7.684 5.512 1.00 0.00 N ATOM 1392 CA ARG A 94 -12.381 -7.865 5.237 1.00 0.00 C ATOM 1393 C ARG A 94 -13.163 -8.398 6.421 1.00 0.00 C ATOM 1394 O ARG A 94 -12.686 -9.231 7.196 1.00 0.00 O ATOM 1395 CB ARG A 94 -12.605 -8.737 3.986 1.00 0.00 C ATOM 1396 CG ARG A 94 -13.105 -7.894 2.794 1.00 0.00 C ATOM 1397 CD ARG A 94 -12.204 -8.052 1.578 1.00 0.00 C ATOM 1398 NE ARG A 94 -12.378 -9.330 0.881 1.00 0.00 N ATOM 1399 CZ ARG A 94 -12.970 -9.489 -0.307 1.00 0.00 C ATOM 1400 NH1 ARG A 94 -13.850 -8.608 -0.774 1.00 0.00 N ATOM 1401 NH2 ARG A 94 -12.676 -10.536 -1.056 1.00 0.00 N ATOM 0 H ARG A 94 -10.589 -8.269 6.261 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.774 -6.868 5.038 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -11.674 -9.235 3.716 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -13.331 -9.519 4.211 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.121 -8.194 2.536 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.147 -6.844 3.083 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -12.402 -7.238 0.881 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -11.164 -7.957 1.892 1.00 0.00 H new ATOM 0 HE ARG A 94 -12.018 -10.167 1.340 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -14.089 -7.784 -0.222 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -14.286 -8.756 -1.684 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.997 -11.223 -0.728 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -13.128 -10.658 -1.962 1.00 0.00 H new ATOM 1415 N LYS A 95 -14.394 -7.907 6.514 1.00 0.00 N ATOM 1416 CA LYS A 95 -15.410 -8.247 7.493 1.00 0.00 C ATOM 1417 C LYS A 95 -15.828 -9.693 7.321 1.00 0.00 C ATOM 1418 O LYS A 95 -15.806 -10.249 6.220 1.00 0.00 O ATOM 1419 CB LYS A 95 -16.566 -7.243 7.311 1.00 0.00 C ATOM 1420 CG LYS A 95 -17.283 -6.787 8.587 1.00 0.00 C ATOM 1421 CD LYS A 95 -18.487 -7.629 9.010 1.00 0.00 C ATOM 1422 CE LYS A 95 -19.461 -6.846 9.902 1.00 0.00 C ATOM 1423 NZ LYS A 95 -18.809 -6.144 11.028 1.00 0.00 N ATOM 0 H LYS A 95 -14.729 -7.206 5.853 1.00 0.00 H new ATOM 0 HA LYS A 95 -15.042 -8.169 8.516 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -16.175 -6.360 6.805 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -17.305 -7.690 6.646 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -16.562 -6.782 9.404 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -17.614 -5.758 8.447 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -19.013 -7.979 8.122 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -18.139 -8.513 9.544 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -19.992 -6.117 9.290 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -20.208 -7.534 10.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -19.536 -5.752 11.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -18.214 -6.813 11.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -18.218 -5.372 10.660 1.00 0.00 H new