USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 650 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 48 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 49 GLN : amide:sc= 0.785 K(o=0.79,f=-5.7!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 160:sc= -0.0396 (180deg=-0.531) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 156:sc= 1.31 USER MOD Single : A 23 THR OG1 : rot -85:sc= 0.14 USER MOD Single : A 25 GLN : amide:sc= -0.147 K(o=-0.15,f=-1.2) USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= 1.05 (180deg=0.944) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -157:sc= 0 (180deg=-1.08) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0.106 USER MOD Single : A 64 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0836) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.076 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0.047 X(o=0.047,f=-0.04) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.0011) USER MOD ----------------------------------------------------------------- ATOM 83 N TYR A 9 -1.138 -8.839 -8.746 1.00 0.00 N ATOM 84 CA TYR A 9 -1.175 -9.100 -7.309 1.00 0.00 C ATOM 85 C TYR A 9 -1.102 -10.589 -6.976 1.00 0.00 C ATOM 86 O TYR A 9 -0.582 -10.938 -5.923 1.00 0.00 O ATOM 87 CB TYR A 9 -2.429 -8.492 -6.674 1.00 0.00 C ATOM 88 CG TYR A 9 -3.745 -8.973 -7.251 1.00 0.00 C ATOM 89 CD1 TYR A 9 -4.317 -10.175 -6.794 1.00 0.00 C ATOM 90 CD2 TYR A 9 -4.394 -8.221 -8.247 1.00 0.00 C ATOM 91 CE1 TYR A 9 -5.537 -10.626 -7.322 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.611 -8.668 -8.784 1.00 0.00 C ATOM 93 CZ TYR A 9 -6.192 -9.871 -8.324 1.00 0.00 C ATOM 94 OH TYR A 9 -7.380 -10.280 -8.845 1.00 0.00 O ATOM 0 HA TYR A 9 -0.287 -8.625 -6.891 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -2.418 -8.710 -5.606 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.380 -7.408 -6.778 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.815 -10.754 -6.033 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.955 -7.299 -8.599 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.975 -11.546 -6.965 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.105 -8.091 -9.551 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.680 -9.636 -9.520 1.00 0.00 H new ATOM 104 N GLU A 10 -1.620 -11.457 -7.845 1.00 0.00 N ATOM 105 CA GLU A 10 -1.628 -12.895 -7.636 1.00 0.00 C ATOM 106 C GLU A 10 -0.200 -13.441 -7.533 1.00 0.00 C ATOM 107 O GLU A 10 0.074 -14.257 -6.658 1.00 0.00 O ATOM 108 CB GLU A 10 -2.486 -13.565 -8.722 1.00 0.00 C ATOM 109 CG GLU A 10 -1.913 -13.501 -10.150 1.00 0.00 C ATOM 110 CD GLU A 10 -0.795 -14.520 -10.416 1.00 0.00 C ATOM 111 OE1 GLU A 10 -0.846 -15.644 -9.858 1.00 0.00 O ATOM 112 OE2 GLU A 10 0.148 -14.202 -11.173 1.00 0.00 O ATOM 0 H GLU A 10 -2.051 -11.172 -8.725 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.092 -13.136 -6.679 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.630 -14.611 -8.453 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.471 -13.098 -8.723 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.720 -13.667 -10.863 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.528 -12.498 -10.332 1.00 0.00 H new ATOM 119 N LEU A 11 0.735 -12.923 -8.340 1.00 0.00 N ATOM 120 CA LEU A 11 2.150 -13.293 -8.311 1.00 0.00 C ATOM 121 C LEU A 11 2.697 -12.993 -6.913 1.00 0.00 C ATOM 122 O LEU A 11 3.390 -13.808 -6.299 1.00 0.00 O ATOM 123 CB LEU A 11 2.879 -12.518 -9.437 1.00 0.00 C ATOM 124 CG LEU A 11 4.336 -12.890 -9.792 1.00 0.00 C ATOM 125 CD1 LEU A 11 5.413 -12.323 -8.867 1.00 0.00 C ATOM 126 CD2 LEU A 11 4.532 -14.393 -9.896 1.00 0.00 C ATOM 0 H LEU A 11 0.520 -12.219 -9.046 1.00 0.00 H new ATOM 0 HA LEU A 11 2.306 -14.356 -8.497 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.284 -12.623 -10.344 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.867 -11.462 -9.168 1.00 0.00 H new ATOM 0 HG LEU A 11 4.475 -12.412 -10.762 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.395 -12.648 -9.210 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.366 -11.234 -8.879 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.247 -12.683 -7.852 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.571 -14.608 -10.147 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.285 -14.859 -8.942 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.881 -14.792 -10.674 1.00 0.00 H new ATOM 138 N TYR A 12 2.315 -11.832 -6.382 1.00 0.00 N ATOM 139 CA TYR A 12 2.766 -11.328 -5.096 1.00 0.00 C ATOM 140 C TYR A 12 1.926 -11.867 -3.934 1.00 0.00 C ATOM 141 O TYR A 12 2.148 -11.514 -2.775 1.00 0.00 O ATOM 142 CB TYR A 12 2.763 -9.795 -5.072 1.00 0.00 C ATOM 143 CG TYR A 12 2.952 -9.032 -6.377 1.00 0.00 C ATOM 144 CD1 TYR A 12 3.801 -9.522 -7.384 1.00 0.00 C ATOM 145 CD2 TYR A 12 2.237 -7.839 -6.600 1.00 0.00 C ATOM 146 CE1 TYR A 12 3.818 -8.932 -8.658 1.00 0.00 C ATOM 147 CE2 TYR A 12 2.298 -7.196 -7.848 1.00 0.00 C ATOM 148 CZ TYR A 12 3.054 -7.768 -8.895 1.00 0.00 C ATOM 149 OH TYR A 12 3.029 -7.213 -10.131 1.00 0.00 O ATOM 0 H TYR A 12 1.665 -11.202 -6.852 1.00 0.00 H new ATOM 0 HA TYR A 12 3.787 -11.685 -4.965 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.815 -9.475 -4.639 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.550 -9.476 -4.388 1.00 0.00 H new ATOM 0 HD1 TYR A 12 4.448 -10.362 -7.176 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.638 -7.416 -5.807 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.411 -9.365 -9.450 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.769 -6.268 -8.006 1.00 0.00 H new ATOM 0 HH TYR A 12 2.455 -6.419 -10.122 1.00 0.00 H new ATOM 159 N MET A 13 0.923 -12.703 -4.193 1.00 0.00 N ATOM 160 CA MET A 13 0.250 -13.458 -3.161 1.00 0.00 C ATOM 161 C MET A 13 1.216 -14.490 -2.565 1.00 0.00 C ATOM 162 O MET A 13 1.114 -14.820 -1.379 1.00 0.00 O ATOM 163 CB MET A 13 -1.004 -14.107 -3.754 1.00 0.00 C ATOM 164 CG MET A 13 -2.185 -13.978 -2.801 1.00 0.00 C ATOM 165 SD MET A 13 -3.467 -12.770 -3.279 1.00 0.00 S ATOM 166 CE MET A 13 -2.570 -11.193 -3.222 1.00 0.00 C ATOM 0 H MET A 13 0.559 -12.870 -5.131 1.00 0.00 H new ATOM 0 HA MET A 13 -0.065 -12.804 -2.348 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.247 -13.635 -4.706 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.811 -15.160 -3.960 1.00 0.00 H new ATOM 0 HG2 MET A 13 -2.655 -14.957 -2.701 1.00 0.00 H new ATOM 0 HG3 MET A 13 -1.805 -13.705 -1.817 1.00 0.00 H new ATOM 0 HE1 MET A 13 -3.103 -10.449 -3.814 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.499 -10.852 -2.189 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.568 -11.330 -3.628 1.00 0.00 H new ATOM 176 N TYR A 14 2.192 -14.943 -3.358 1.00 0.00 N ATOM 177 CA TYR A 14 3.247 -15.857 -2.948 1.00 0.00 C ATOM 178 C TYR A 14 4.552 -15.069 -2.828 1.00 0.00 C ATOM 179 O TYR A 14 5.084 -14.923 -1.725 1.00 0.00 O ATOM 180 CB TYR A 14 3.373 -17.062 -3.908 1.00 0.00 C ATOM 181 CG TYR A 14 2.142 -17.360 -4.743 1.00 0.00 C ATOM 182 CD1 TYR A 14 1.087 -18.128 -4.217 1.00 0.00 C ATOM 183 CD2 TYR A 14 2.046 -16.834 -6.044 1.00 0.00 C ATOM 184 CE1 TYR A 14 -0.065 -18.357 -4.990 1.00 0.00 C ATOM 185 CE2 TYR A 14 0.911 -17.077 -6.832 1.00 0.00 C ATOM 186 CZ TYR A 14 -0.163 -17.815 -6.293 1.00 0.00 C ATOM 187 OH TYR A 14 -1.319 -17.956 -6.991 1.00 0.00 O ATOM 0 H TYR A 14 2.266 -14.669 -4.338 1.00 0.00 H new ATOM 0 HA TYR A 14 3.000 -16.286 -1.977 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.212 -16.883 -4.580 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.617 -17.948 -3.322 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.162 -18.541 -3.222 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.854 -16.237 -6.440 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.876 -18.947 -4.589 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.860 -16.702 -7.843 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.226 -17.528 -7.868 1.00 0.00 H new ATOM 197 N ARG A 15 5.088 -14.589 -3.954 1.00 0.00 N ATOM 198 CA ARG A 15 6.461 -14.134 -4.073 1.00 0.00 C ATOM 199 C ARG A 15 6.652 -12.783 -3.393 1.00 0.00 C ATOM 200 O ARG A 15 5.724 -11.982 -3.302 1.00 0.00 O ATOM 201 CB ARG A 15 6.781 -14.098 -5.575 1.00 0.00 C ATOM 202 CG ARG A 15 8.203 -13.691 -5.957 1.00 0.00 C ATOM 203 CD ARG A 15 9.276 -14.559 -5.282 1.00 0.00 C ATOM 204 NE ARG A 15 10.595 -14.263 -5.847 1.00 0.00 N ATOM 205 CZ ARG A 15 11.284 -14.965 -6.752 1.00 0.00 C ATOM 206 NH1 ARG A 15 10.874 -16.153 -7.186 1.00 0.00 N ATOM 207 NH2 ARG A 15 12.411 -14.451 -7.213 1.00 0.00 N ATOM 0 H ARG A 15 4.561 -14.507 -4.823 1.00 0.00 H new ATOM 0 HA ARG A 15 7.152 -14.807 -3.565 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.586 -15.087 -5.990 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.087 -13.408 -6.056 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.316 -13.758 -7.039 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.362 -12.648 -5.684 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.282 -14.373 -4.208 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.041 -15.614 -5.421 1.00 0.00 H new ATOM 0 HE ARG A 15 11.045 -13.413 -5.506 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.008 -16.556 -6.827 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.425 -16.661 -7.878 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.732 -13.543 -6.877 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.960 -14.962 -7.904 1.00 0.00 H new ATOM 221 N GLU A 16 7.880 -12.527 -2.950 1.00 0.00 N ATOM 222 CA GLU A 16 8.256 -11.327 -2.229 1.00 0.00 C ATOM 223 C GLU A 16 8.632 -10.185 -3.167 1.00 0.00 C ATOM 224 O GLU A 16 8.747 -10.356 -4.384 1.00 0.00 O ATOM 225 CB GLU A 16 9.335 -11.691 -1.194 1.00 0.00 C ATOM 226 CG GLU A 16 10.791 -11.651 -1.642 1.00 0.00 C ATOM 227 CD GLU A 16 11.683 -12.351 -0.612 1.00 0.00 C ATOM 228 OE1 GLU A 16 11.647 -11.978 0.583 1.00 0.00 O ATOM 229 OE2 GLU A 16 12.371 -13.339 -0.954 1.00 0.00 O ATOM 0 H GLU A 16 8.659 -13.171 -3.090 1.00 0.00 H new ATOM 0 HA GLU A 16 7.399 -10.934 -1.681 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.227 -11.015 -0.346 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.124 -12.696 -0.830 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.894 -12.137 -2.612 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.112 -10.617 -1.768 1.00 0.00 H new ATOM 236 N VAL A 17 8.801 -9.008 -2.578 1.00 0.00 N ATOM 237 CA VAL A 17 9.136 -7.762 -3.237 1.00 0.00 C ATOM 238 C VAL A 17 9.973 -6.957 -2.242 1.00 0.00 C ATOM 239 O VAL A 17 9.839 -7.145 -1.023 1.00 0.00 O ATOM 240 CB VAL A 17 7.831 -7.054 -3.674 1.00 0.00 C ATOM 241 CG1 VAL A 17 6.859 -6.831 -2.504 1.00 0.00 C ATOM 242 CG2 VAL A 17 8.088 -5.724 -4.388 1.00 0.00 C ATOM 0 H VAL A 17 8.701 -8.896 -1.569 1.00 0.00 H new ATOM 0 HA VAL A 17 9.719 -7.899 -4.148 1.00 0.00 H new ATOM 0 HB VAL A 17 7.365 -7.738 -4.384 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.961 -6.331 -2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.588 -7.792 -2.068 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.338 -6.211 -1.746 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.137 -5.273 -4.671 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.624 -5.050 -3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.686 -5.901 -5.282 1.00 0.00 H new ATOM 252 N ASP A 18 10.824 -6.057 -2.726 1.00 0.00 N ATOM 253 CA ASP A 18 11.658 -5.228 -1.866 1.00 0.00 C ATOM 254 C ASP A 18 10.811 -4.038 -1.476 1.00 0.00 C ATOM 255 O ASP A 18 10.737 -3.056 -2.213 1.00 0.00 O ATOM 256 CB ASP A 18 12.979 -4.818 -2.533 1.00 0.00 C ATOM 257 CG ASP A 18 13.903 -6.015 -2.772 1.00 0.00 C ATOM 258 OD1 ASP A 18 13.531 -7.163 -2.435 1.00 0.00 O ATOM 259 OD2 ASP A 18 15.005 -5.811 -3.315 1.00 0.00 O ATOM 0 H ASP A 18 10.954 -5.883 -3.723 1.00 0.00 H new ATOM 0 HA ASP A 18 11.972 -5.786 -0.984 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.767 -4.329 -3.484 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.489 -4.087 -1.906 1.00 0.00 H new ATOM 264 N THR A 19 10.119 -4.134 -0.341 1.00 0.00 N ATOM 265 CA THR A 19 9.201 -3.105 0.130 1.00 0.00 C ATOM 266 C THR A 19 9.888 -1.749 0.344 1.00 0.00 C ATOM 267 O THR A 19 9.203 -0.730 0.312 1.00 0.00 O ATOM 268 CB THR A 19 8.510 -3.579 1.418 1.00 0.00 C ATOM 269 OG1 THR A 19 9.452 -4.089 2.345 1.00 0.00 O ATOM 270 CG2 THR A 19 7.493 -4.692 1.138 1.00 0.00 C ATOM 0 H THR A 19 10.183 -4.939 0.282 1.00 0.00 H new ATOM 0 HA THR A 19 8.454 -2.949 -0.648 1.00 0.00 H new ATOM 0 HB THR A 19 8.003 -2.706 1.829 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.084 -4.031 3.251 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.025 -5.001 2.073 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.729 -4.323 0.454 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.001 -5.545 0.688 1.00 0.00 H new ATOM 278 N LEU A 20 11.207 -1.740 0.569 1.00 0.00 N ATOM 279 CA LEU A 20 12.016 -0.544 0.775 1.00 0.00 C ATOM 280 C LEU A 20 12.336 0.150 -0.548 1.00 0.00 C ATOM 281 O LEU A 20 12.428 1.374 -0.584 1.00 0.00 O ATOM 282 CB LEU A 20 13.327 -0.949 1.480 1.00 0.00 C ATOM 283 CG LEU A 20 13.309 -0.818 3.014 1.00 0.00 C ATOM 284 CD1 LEU A 20 13.304 0.658 3.435 1.00 0.00 C ATOM 285 CD2 LEU A 20 12.177 -1.608 3.690 1.00 0.00 C ATOM 0 H LEU A 20 11.755 -2.599 0.613 1.00 0.00 H new ATOM 0 HA LEU A 20 11.452 0.158 1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 20 13.556 -1.983 1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.138 -0.335 1.088 1.00 0.00 H new ATOM 0 HG LEU A 20 14.231 -1.277 3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 20 13.291 0.726 4.523 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.198 1.149 3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 20 12.419 1.149 3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.229 -1.467 4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.215 -1.251 3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.283 -2.667 3.457 1.00 0.00 H new ATOM 297 N GLU A 21 12.512 -0.621 -1.621 1.00 0.00 N ATOM 298 CA GLU A 21 12.716 -0.091 -2.963 1.00 0.00 C ATOM 299 C GLU A 21 11.371 0.308 -3.561 1.00 0.00 C ATOM 300 O GLU A 21 11.265 1.315 -4.248 1.00 0.00 O ATOM 301 CB GLU A 21 13.395 -1.171 -3.801 1.00 0.00 C ATOM 302 CG GLU A 21 13.794 -0.737 -5.209 1.00 0.00 C ATOM 303 CD GLU A 21 14.967 0.250 -5.163 1.00 0.00 C ATOM 304 OE1 GLU A 21 14.795 1.457 -4.867 1.00 0.00 O ATOM 305 OE2 GLU A 21 16.122 -0.221 -5.298 1.00 0.00 O ATOM 0 H GLU A 21 12.516 -1.640 -1.579 1.00 0.00 H new ATOM 0 HA GLU A 21 13.349 0.796 -2.941 1.00 0.00 H new ATOM 0 HB2 GLU A 21 14.287 -1.511 -3.275 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.724 -2.027 -3.877 1.00 0.00 H new ATOM 0 HG2 GLU A 21 14.071 -1.611 -5.799 1.00 0.00 H new ATOM 0 HG3 GLU A 21 12.942 -0.273 -5.707 1.00 0.00 H new ATOM 312 N LEU A 22 10.318 -0.446 -3.241 1.00 0.00 N ATOM 313 CA LEU A 22 8.966 -0.149 -3.664 1.00 0.00 C ATOM 314 C LEU A 22 8.577 1.250 -3.204 1.00 0.00 C ATOM 315 O LEU A 22 8.193 2.064 -4.035 1.00 0.00 O ATOM 316 CB LEU A 22 8.006 -1.212 -3.122 1.00 0.00 C ATOM 317 CG LEU A 22 6.532 -0.789 -3.239 1.00 0.00 C ATOM 318 CD1 LEU A 22 6.103 -0.644 -4.689 1.00 0.00 C ATOM 319 CD2 LEU A 22 5.667 -1.811 -2.523 1.00 0.00 C ATOM 0 H LEU A 22 10.391 -1.290 -2.673 1.00 0.00 H new ATOM 0 HA LEU A 22 8.907 -0.171 -4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.157 -2.145 -3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.242 -1.411 -2.077 1.00 0.00 H new ATOM 0 HG LEU A 22 6.410 0.189 -2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.056 -0.344 -4.730 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.717 0.114 -5.176 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.228 -1.597 -5.202 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.620 -1.519 -2.601 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.806 -2.790 -2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.954 -1.858 -1.472 1.00 0.00 H new ATOM 331 N THR A 23 8.638 1.539 -1.899 1.00 0.00 N ATOM 332 CA THR A 23 8.286 2.863 -1.396 1.00 0.00 C ATOM 333 C THR A 23 9.092 3.910 -2.144 1.00 0.00 C ATOM 334 O THR A 23 8.515 4.879 -2.625 1.00 0.00 O ATOM 335 CB THR A 23 8.554 2.955 0.108 1.00 0.00 C ATOM 336 OG1 THR A 23 9.783 2.355 0.448 1.00 0.00 O ATOM 337 CG2 THR A 23 7.445 2.205 0.827 1.00 0.00 C ATOM 0 H THR A 23 8.926 0.876 -1.180 1.00 0.00 H new ATOM 0 HA THR A 23 7.223 3.040 -1.559 1.00 0.00 H new ATOM 0 HB THR A 23 8.589 4.006 0.396 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.654 1.391 0.571 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.611 2.254 1.903 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.484 2.659 0.587 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.444 1.163 0.507 1.00 0.00 H new ATOM 345 N ARG A 24 10.400 3.684 -2.269 1.00 0.00 N ATOM 346 CA ARG A 24 11.315 4.518 -3.031 1.00 0.00 C ATOM 347 C ARG A 24 10.768 4.840 -4.415 1.00 0.00 C ATOM 348 O ARG A 24 10.521 6.007 -4.700 1.00 0.00 O ATOM 349 CB ARG A 24 12.695 3.852 -3.080 1.00 0.00 C ATOM 350 CG ARG A 24 13.610 4.662 -2.157 1.00 0.00 C ATOM 351 CD ARG A 24 14.920 3.942 -1.922 1.00 0.00 C ATOM 352 NE ARG A 24 15.901 4.811 -1.251 1.00 0.00 N ATOM 353 CZ ARG A 24 16.504 4.610 -0.072 1.00 0.00 C ATOM 354 NH1 ARG A 24 16.283 3.514 0.644 1.00 0.00 N ATOM 355 NH2 ARG A 24 17.343 5.524 0.395 1.00 0.00 N ATOM 0 H ARG A 24 10.861 2.889 -1.827 1.00 0.00 H new ATOM 0 HA ARG A 24 11.422 5.479 -2.528 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.635 2.814 -2.752 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.084 3.842 -4.098 1.00 0.00 H new ATOM 0 HG2 ARG A 24 13.803 5.640 -2.598 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.110 4.835 -1.204 1.00 0.00 H new ATOM 0 HD2 ARG A 24 14.744 3.054 -1.315 1.00 0.00 H new ATOM 0 HD3 ARG A 24 15.325 3.602 -2.875 1.00 0.00 H new ATOM 0 HE ARG A 24 16.151 5.669 -1.743 1.00 0.00 H new ATOM 0 HH11 ARG A 24 15.641 2.800 0.299 1.00 0.00 H new ATOM 0 HH12 ARG A 24 16.755 3.386 1.539 1.00 0.00 H new ATOM 0 HH21 ARG A 24 17.525 6.372 -0.143 1.00 0.00 H new ATOM 0 HH22 ARG A 24 17.807 5.380 1.292 1.00 0.00 H new ATOM 369 N GLN A 25 10.513 3.836 -5.246 1.00 0.00 N ATOM 370 CA GLN A 25 10.013 4.013 -6.603 1.00 0.00 C ATOM 371 C GLN A 25 8.677 4.746 -6.615 1.00 0.00 C ATOM 372 O GLN A 25 8.432 5.573 -7.492 1.00 0.00 O ATOM 373 CB GLN A 25 9.885 2.642 -7.285 1.00 0.00 C ATOM 374 CG GLN A 25 11.265 2.066 -7.604 1.00 0.00 C ATOM 375 CD GLN A 25 11.995 2.812 -8.722 1.00 0.00 C ATOM 376 OE1 GLN A 25 11.439 3.694 -9.379 1.00 0.00 O ATOM 377 NE2 GLN A 25 13.253 2.494 -8.965 1.00 0.00 N ATOM 0 H GLN A 25 10.651 2.858 -4.990 1.00 0.00 H new ATOM 0 HA GLN A 25 10.724 4.627 -7.156 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.341 1.957 -6.635 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.305 2.740 -8.203 1.00 0.00 H new ATOM 0 HG2 GLN A 25 11.877 2.090 -6.702 1.00 0.00 H new ATOM 0 HG3 GLN A 25 11.156 1.019 -7.888 1.00 0.00 H new ATOM 0 HE21 GLN A 25 13.709 1.763 -8.419 1.00 0.00 H new ATOM 0 HE22 GLN A 25 13.769 2.979 -9.699 1.00 0.00 H new ATOM 386 N VAL A 26 7.804 4.465 -5.653 1.00 0.00 N ATOM 387 CA VAL A 26 6.543 5.168 -5.505 1.00 0.00 C ATOM 388 C VAL A 26 6.820 6.651 -5.227 1.00 0.00 C ATOM 389 O VAL A 26 6.242 7.514 -5.883 1.00 0.00 O ATOM 390 CB VAL A 26 5.711 4.482 -4.405 1.00 0.00 C ATOM 391 CG1 VAL A 26 4.448 5.281 -4.088 1.00 0.00 C ATOM 392 CG2 VAL A 26 5.323 3.048 -4.786 1.00 0.00 C ATOM 0 H VAL A 26 7.956 3.739 -4.953 1.00 0.00 H new ATOM 0 HA VAL A 26 5.955 5.125 -6.422 1.00 0.00 H new ATOM 0 HB VAL A 26 6.344 4.443 -3.519 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.882 4.772 -3.308 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.725 6.277 -3.744 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.835 5.364 -4.986 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.738 2.603 -3.981 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.730 3.062 -5.701 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.225 2.458 -4.947 1.00 0.00 H new ATOM 402 N LYS A 27 7.689 6.975 -4.267 1.00 0.00 N ATOM 403 CA LYS A 27 8.016 8.347 -3.878 1.00 0.00 C ATOM 404 C LYS A 27 8.697 9.074 -5.033 1.00 0.00 C ATOM 405 O LYS A 27 8.421 10.255 -5.245 1.00 0.00 O ATOM 406 CB LYS A 27 8.901 8.339 -2.619 1.00 0.00 C ATOM 407 CG LYS A 27 8.127 7.868 -1.374 1.00 0.00 C ATOM 408 CD LYS A 27 8.955 7.026 -0.395 1.00 0.00 C ATOM 409 CE LYS A 27 10.066 7.736 0.353 1.00 0.00 C ATOM 410 NZ LYS A 27 9.620 8.653 1.416 1.00 0.00 N ATOM 0 H LYS A 27 8.196 6.274 -3.727 1.00 0.00 H new ATOM 0 HA LYS A 27 7.097 8.884 -3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.758 7.685 -2.782 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.293 9.341 -2.445 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.743 8.742 -0.848 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.264 7.285 -1.696 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.275 6.593 0.339 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.395 6.197 -0.949 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.722 6.986 0.794 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.663 8.300 -0.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.421 9.237 1.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.865 9.268 1.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.258 8.102 2.221 1.00 0.00 H new ATOM 424 N GLU A 28 9.546 8.389 -5.795 1.00 0.00 N ATOM 425 CA GLU A 28 10.142 8.890 -7.024 1.00 0.00 C ATOM 426 C GLU A 28 9.032 9.251 -8.015 1.00 0.00 C ATOM 427 O GLU A 28 8.970 10.389 -8.477 1.00 0.00 O ATOM 428 CB GLU A 28 11.086 7.846 -7.635 1.00 0.00 C ATOM 429 CG GLU A 28 12.455 7.756 -6.952 1.00 0.00 C ATOM 430 CD GLU A 28 13.371 6.778 -7.690 1.00 0.00 C ATOM 431 OE1 GLU A 28 13.631 6.994 -8.900 1.00 0.00 O ATOM 432 OE2 GLU A 28 13.924 5.854 -7.060 1.00 0.00 O ATOM 0 H GLU A 28 9.845 7.442 -5.565 1.00 0.00 H new ATOM 0 HA GLU A 28 10.728 9.781 -6.797 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.606 6.869 -7.590 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.234 8.080 -8.689 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.917 8.743 -6.924 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.330 7.433 -5.918 1.00 0.00 H new ATOM 439 N LYS A 29 8.147 8.305 -8.354 1.00 0.00 N ATOM 440 CA LYS A 29 7.113 8.514 -9.365 1.00 0.00 C ATOM 441 C LYS A 29 6.097 9.568 -8.922 1.00 0.00 C ATOM 442 O LYS A 29 5.641 10.355 -9.743 1.00 0.00 O ATOM 443 CB LYS A 29 6.462 7.176 -9.704 1.00 0.00 C ATOM 444 CG LYS A 29 5.540 7.283 -10.932 1.00 0.00 C ATOM 445 CD LYS A 29 5.678 6.054 -11.833 1.00 0.00 C ATOM 446 CE LYS A 29 6.926 6.193 -12.714 1.00 0.00 C ATOM 447 NZ LYS A 29 7.482 4.901 -13.166 1.00 0.00 N ATOM 0 H LYS A 29 8.131 7.376 -7.934 1.00 0.00 H new ATOM 0 HA LYS A 29 7.571 8.909 -10.272 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.236 6.433 -9.895 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.887 6.824 -8.847 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.505 7.384 -10.606 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.785 8.182 -11.498 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.749 5.152 -11.225 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.791 5.948 -12.457 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.678 6.797 -13.587 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.693 6.734 -12.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.322 5.072 -13.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.750 4.330 -12.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.767 4.391 -13.722 1.00 0.00 H new ATOM 461 N LEU A 30 5.744 9.629 -7.639 1.00 0.00 N ATOM 462 CA LEU A 30 4.864 10.665 -7.112 1.00 0.00 C ATOM 463 C LEU A 30 5.543 12.024 -7.198 1.00 0.00 C ATOM 464 O LEU A 30 4.890 13.007 -7.515 1.00 0.00 O ATOM 465 CB LEU A 30 4.480 10.388 -5.655 1.00 0.00 C ATOM 466 CG LEU A 30 3.519 9.200 -5.485 1.00 0.00 C ATOM 467 CD1 LEU A 30 3.498 8.813 -4.014 1.00 0.00 C ATOM 468 CD2 LEU A 30 2.085 9.515 -5.916 1.00 0.00 C ATOM 0 H LEU A 30 6.061 8.960 -6.937 1.00 0.00 H new ATOM 0 HA LEU A 30 3.957 10.663 -7.717 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.386 10.197 -5.080 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.018 11.281 -5.234 1.00 0.00 H new ATOM 0 HG LEU A 30 3.881 8.395 -6.124 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.822 7.971 -3.869 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.502 8.531 -3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.155 9.660 -3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.459 8.634 -5.770 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.697 10.339 -5.316 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.075 9.797 -6.969 1.00 0.00 H new ATOM 480 N ALA A 31 6.846 12.110 -6.912 1.00 0.00 N ATOM 481 CA ALA A 31 7.610 13.336 -7.117 1.00 0.00 C ATOM 482 C ALA A 31 7.723 13.704 -8.609 1.00 0.00 C ATOM 483 O ALA A 31 7.692 14.888 -8.949 1.00 0.00 O ATOM 484 CB ALA A 31 8.985 13.197 -6.462 1.00 0.00 C ATOM 0 H ALA A 31 7.393 11.336 -6.535 1.00 0.00 H new ATOM 0 HA ALA A 31 7.076 14.159 -6.642 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.555 14.113 -6.615 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.863 13.020 -5.393 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.518 12.358 -6.910 1.00 0.00 H new ATOM 490 N LYS A 32 7.820 12.708 -9.498 1.00 0.00 N ATOM 491 CA LYS A 32 7.866 12.868 -10.951 1.00 0.00 C ATOM 492 C LYS A 32 6.554 13.473 -11.445 1.00 0.00 C ATOM 493 O LYS A 32 6.547 14.576 -11.980 1.00 0.00 O ATOM 494 CB LYS A 32 8.149 11.506 -11.621 1.00 0.00 C ATOM 495 CG LYS A 32 8.398 11.648 -13.123 1.00 0.00 C ATOM 496 CD LYS A 32 8.689 10.293 -13.800 1.00 0.00 C ATOM 497 CE LYS A 32 10.185 10.037 -14.033 1.00 0.00 C ATOM 498 NZ LYS A 32 10.613 10.435 -15.395 1.00 0.00 N ATOM 0 H LYS A 32 7.870 11.731 -9.210 1.00 0.00 H new ATOM 0 HA LYS A 32 8.674 13.548 -11.221 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.018 11.044 -11.151 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.304 10.838 -11.455 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.527 12.106 -13.592 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.239 12.322 -13.287 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.283 9.492 -13.182 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.168 10.254 -14.757 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.766 10.590 -13.295 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.399 8.979 -13.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.629 10.245 -15.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.078 9.890 -16.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.433 11.450 -15.533 1.00 0.00 H new ATOM 512 N ASN A 33 5.437 12.777 -11.219 1.00 0.00 N ATOM 513 CA ASN A 33 4.106 13.201 -11.638 1.00 0.00 C ATOM 514 C ASN A 33 3.558 14.347 -10.772 1.00 0.00 C ATOM 515 O ASN A 33 2.488 14.880 -11.072 1.00 0.00 O ATOM 516 CB ASN A 33 3.136 12.010 -11.592 1.00 0.00 C ATOM 517 CG ASN A 33 3.393 10.973 -12.678 1.00 0.00 C ATOM 518 OD1 ASN A 33 3.750 9.834 -12.378 1.00 0.00 O ATOM 519 ND2 ASN A 33 3.254 11.319 -13.945 1.00 0.00 N ATOM 0 H ASN A 33 5.437 11.883 -10.728 1.00 0.00 H new ATOM 0 HA ASN A 33 4.193 13.572 -12.659 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.210 11.529 -10.617 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.115 12.379 -11.688 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.443 10.640 -14.683 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.958 12.265 -14.186 1.00 0.00 H new ATOM 526 N GLY A 34 4.264 14.725 -9.704 1.00 0.00 N ATOM 527 CA GLY A 34 3.894 15.771 -8.764 1.00 0.00 C ATOM 528 C GLY A 34 2.530 15.492 -8.143 1.00 0.00 C ATOM 529 O GLY A 34 1.546 16.162 -8.460 1.00 0.00 O ATOM 0 H GLY A 34 5.152 14.284 -9.465 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.647 15.842 -7.979 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.875 16.734 -9.275 1.00 0.00 H new ATOM 533 N ILE A 35 2.452 14.497 -7.261 1.00 0.00 N ATOM 534 CA ILE A 35 1.219 14.058 -6.606 1.00 0.00 C ATOM 535 C ILE A 35 1.460 14.069 -5.098 1.00 0.00 C ATOM 536 O ILE A 35 2.558 13.736 -4.641 1.00 0.00 O ATOM 537 CB ILE A 35 0.803 12.681 -7.154 1.00 0.00 C ATOM 538 CG1 ILE A 35 0.438 12.839 -8.644 1.00 0.00 C ATOM 539 CG2 ILE A 35 -0.384 12.075 -6.374 1.00 0.00 C ATOM 540 CD1 ILE A 35 0.267 11.505 -9.348 1.00 0.00 C ATOM 0 H ILE A 35 3.269 13.958 -6.973 1.00 0.00 H new ATOM 0 HA ILE A 35 0.386 14.729 -6.816 1.00 0.00 H new ATOM 0 HB ILE A 35 1.640 11.993 -7.034 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.486 13.412 -8.729 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.217 13.413 -9.146 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.640 11.104 -6.798 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.107 11.952 -5.327 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.244 12.741 -6.446 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.011 11.676 -10.394 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.198 10.941 -9.290 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.531 10.939 -8.867 1.00 0.00 H new ATOM 552 N CYS A 36 0.445 14.440 -4.317 1.00 0.00 N ATOM 553 CA CYS A 36 0.509 14.415 -2.868 1.00 0.00 C ATOM 554 C CYS A 36 0.475 12.967 -2.376 1.00 0.00 C ATOM 555 O CYS A 36 -0.527 12.276 -2.579 1.00 0.00 O ATOM 556 CB CYS A 36 -0.650 15.206 -2.255 1.00 0.00 C ATOM 557 SG CYS A 36 -0.672 16.898 -2.899 1.00 0.00 S ATOM 0 H CYS A 36 -0.449 14.768 -4.682 1.00 0.00 H new ATOM 0 HA CYS A 36 1.442 14.883 -2.554 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.595 14.712 -2.481 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.552 15.225 -1.170 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.663 17.551 -2.369 1.00 0.00 H new ATOM 563 N GLN A 37 1.532 12.527 -1.688 1.00 0.00 N ATOM 564 CA GLN A 37 1.638 11.190 -1.099 1.00 0.00 C ATOM 565 C GLN A 37 0.449 10.903 -0.173 1.00 0.00 C ATOM 566 O GLN A 37 -0.044 9.774 -0.138 1.00 0.00 O ATOM 567 CB GLN A 37 2.960 11.067 -0.320 1.00 0.00 C ATOM 568 CG GLN A 37 4.225 11.222 -1.195 1.00 0.00 C ATOM 569 CD GLN A 37 5.482 11.584 -0.400 1.00 0.00 C ATOM 570 OE1 GLN A 37 5.699 11.123 0.716 1.00 0.00 O ATOM 571 NE2 GLN A 37 6.355 12.407 -0.948 1.00 0.00 N ATOM 0 H GLN A 37 2.357 13.104 -1.521 1.00 0.00 H new ATOM 0 HA GLN A 37 1.625 10.455 -1.904 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.979 11.824 0.464 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.989 10.096 0.174 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.401 10.290 -1.732 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.045 11.993 -1.945 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.179 12.793 -1.876 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.206 12.657 -0.444 1.00 0.00 H new ATOM 580 N ARG A 38 -0.037 11.932 0.536 1.00 0.00 N ATOM 581 CA ARG A 38 -1.217 11.862 1.390 1.00 0.00 C ATOM 582 C ARG A 38 -2.465 11.496 0.601 1.00 0.00 C ATOM 583 O ARG A 38 -3.209 10.622 1.027 1.00 0.00 O ATOM 584 CB ARG A 38 -1.420 13.204 2.113 1.00 0.00 C ATOM 585 CG ARG A 38 -2.510 13.150 3.183 1.00 0.00 C ATOM 586 CD ARG A 38 -3.843 13.729 2.716 1.00 0.00 C ATOM 587 NE ARG A 38 -3.769 15.173 2.441 1.00 0.00 N ATOM 588 CZ ARG A 38 -3.951 16.159 3.332 1.00 0.00 C ATOM 589 NH1 ARG A 38 -4.042 15.933 4.638 1.00 0.00 N ATOM 590 NH2 ARG A 38 -4.030 17.398 2.877 1.00 0.00 N ATOM 0 H ARG A 38 0.395 12.856 0.527 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.051 11.074 2.125 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.480 13.507 2.575 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.676 13.969 1.380 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.659 12.114 3.489 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.173 13.697 4.064 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.165 13.208 1.815 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.601 13.547 3.478 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.559 15.450 1.482 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.973 14.981 4.997 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.180 16.712 5.282 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.953 17.580 1.876 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.168 18.172 3.527 1.00 0.00 H new ATOM 604 N ILE A 39 -2.747 12.209 -0.492 1.00 0.00 N ATOM 605 CA ILE A 39 -3.989 12.034 -1.242 1.00 0.00 C ATOM 606 C ILE A 39 -3.948 10.689 -1.955 1.00 0.00 C ATOM 607 O ILE A 39 -4.946 9.973 -1.941 1.00 0.00 O ATOM 608 CB ILE A 39 -4.226 13.209 -2.209 1.00 0.00 C ATOM 609 CG1 ILE A 39 -4.517 14.483 -1.388 1.00 0.00 C ATOM 610 CG2 ILE A 39 -5.375 12.905 -3.192 1.00 0.00 C ATOM 611 CD1 ILE A 39 -4.526 15.738 -2.259 1.00 0.00 C ATOM 0 H ILE A 39 -2.125 12.919 -0.878 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.838 12.035 -0.558 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.330 13.364 -2.810 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.481 14.381 -0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.765 14.590 -0.607 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.516 13.754 -3.860 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.128 12.019 -3.778 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.294 12.726 -2.634 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.735 16.610 -1.639 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.553 15.857 -2.736 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.296 15.644 -3.024 1.00 0.00 H new ATOM 623 N PHE A 40 -2.798 10.339 -2.539 1.00 0.00 N ATOM 624 CA PHE A 40 -2.560 9.000 -3.062 1.00 0.00 C ATOM 625 C PHE A 40 -2.964 7.958 -2.014 1.00 0.00 C ATOM 626 O PHE A 40 -3.732 7.041 -2.290 1.00 0.00 O ATOM 627 CB PHE A 40 -1.079 8.854 -3.441 1.00 0.00 C ATOM 628 CG PHE A 40 -0.653 7.414 -3.650 1.00 0.00 C ATOM 629 CD1 PHE A 40 -0.877 6.766 -4.877 1.00 0.00 C ATOM 630 CD2 PHE A 40 -0.098 6.690 -2.578 1.00 0.00 C ATOM 631 CE1 PHE A 40 -0.573 5.399 -5.010 1.00 0.00 C ATOM 632 CE2 PHE A 40 0.210 5.331 -2.717 1.00 0.00 C ATOM 633 CZ PHE A 40 -0.040 4.678 -3.928 1.00 0.00 C ATOM 0 H PHE A 40 -2.011 10.977 -2.660 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.163 8.839 -3.956 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.887 9.419 -4.353 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.465 9.297 -2.657 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.281 7.315 -5.714 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.092 7.188 -1.639 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.751 4.900 -5.951 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.641 4.787 -1.889 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.175 3.625 -4.031 1.00 0.00 H new ATOM 643 N GLY A 41 -2.461 8.123 -0.794 1.00 0.00 N ATOM 644 CA GLY A 41 -2.772 7.247 0.319 1.00 0.00 C ATOM 645 C GLY A 41 -4.265 7.173 0.622 1.00 0.00 C ATOM 646 O GLY A 41 -4.825 6.081 0.679 1.00 0.00 O ATOM 0 H GLY A 41 -1.819 8.879 -0.553 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.402 6.246 0.100 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.244 7.595 1.207 1.00 0.00 H new ATOM 650 N GLU A 42 -4.898 8.328 0.803 1.00 0.00 N ATOM 651 CA GLU A 42 -6.318 8.479 1.099 1.00 0.00 C ATOM 652 C GLU A 42 -7.204 7.818 0.044 1.00 0.00 C ATOM 653 O GLU A 42 -8.246 7.266 0.387 1.00 0.00 O ATOM 654 CB GLU A 42 -6.647 9.981 1.159 1.00 0.00 C ATOM 655 CG GLU A 42 -6.453 10.594 2.552 1.00 0.00 C ATOM 656 CD GLU A 42 -7.771 10.601 3.324 1.00 0.00 C ATOM 657 OE1 GLU A 42 -8.675 11.384 2.951 1.00 0.00 O ATOM 658 OE2 GLU A 42 -7.932 9.847 4.303 1.00 0.00 O ATOM 0 H GLU A 42 -4.413 9.224 0.745 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.519 7.989 2.051 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.016 10.512 0.446 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.680 10.132 0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.705 10.026 3.104 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.075 11.612 2.458 1.00 0.00 H new ATOM 665 N LYS A 43 -6.838 7.903 -1.238 1.00 0.00 N ATOM 666 CA LYS A 43 -7.724 7.552 -2.342 1.00 0.00 C ATOM 667 C LYS A 43 -7.322 6.251 -3.025 1.00 0.00 C ATOM 668 O LYS A 43 -8.150 5.349 -3.117 1.00 0.00 O ATOM 669 CB LYS A 43 -7.838 8.740 -3.295 1.00 0.00 C ATOM 670 CG LYS A 43 -8.742 9.830 -2.673 1.00 0.00 C ATOM 671 CD LYS A 43 -9.386 10.659 -3.782 1.00 0.00 C ATOM 672 CE LYS A 43 -10.666 11.419 -3.411 1.00 0.00 C ATOM 673 NZ LYS A 43 -11.823 10.530 -3.162 1.00 0.00 N ATOM 0 H LYS A 43 -5.915 8.219 -1.536 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.719 7.346 -1.948 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.849 9.149 -3.500 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.252 8.413 -4.249 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.513 9.368 -2.056 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.154 10.474 -2.019 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.652 11.381 -4.139 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.613 9.996 -4.617 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.479 12.019 -2.520 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.915 12.112 -4.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.655 11.104 -2.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.025 9.975 -4.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.603 9.885 -2.376 1.00 0.00 H new ATOM 687 N VAL A 44 -6.080 6.128 -3.492 1.00 0.00 N ATOM 688 CA VAL A 44 -5.611 4.901 -4.126 1.00 0.00 C ATOM 689 C VAL A 44 -5.565 3.805 -3.063 1.00 0.00 C ATOM 690 O VAL A 44 -6.204 2.767 -3.233 1.00 0.00 O ATOM 691 CB VAL A 44 -4.248 5.100 -4.830 1.00 0.00 C ATOM 692 CG1 VAL A 44 -3.850 3.838 -5.611 1.00 0.00 C ATOM 693 CG2 VAL A 44 -4.291 6.292 -5.802 1.00 0.00 C ATOM 0 H VAL A 44 -5.380 6.868 -3.442 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.301 4.606 -4.916 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.510 5.299 -4.053 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.889 4.000 -6.098 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.772 2.995 -4.925 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.607 3.623 -6.365 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.319 6.406 -6.281 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.052 6.114 -6.562 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.533 7.201 -5.252 1.00 0.00 H new ATOM 703 N LEU A 45 -4.819 4.011 -1.971 1.00 0.00 N ATOM 704 CA LEU A 45 -4.660 2.955 -0.972 1.00 0.00 C ATOM 705 C LEU A 45 -5.870 2.868 -0.037 1.00 0.00 C ATOM 706 O LEU A 45 -6.075 1.819 0.577 1.00 0.00 O ATOM 707 CB LEU A 45 -3.376 3.110 -0.141 1.00 0.00 C ATOM 708 CG LEU A 45 -2.060 3.248 -0.928 1.00 0.00 C ATOM 709 CD1 LEU A 45 -0.892 3.544 0.015 1.00 0.00 C ATOM 710 CD2 LEU A 45 -1.708 1.948 -1.627 1.00 0.00 C ATOM 0 H LEU A 45 -4.327 4.880 -1.762 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.583 2.027 -1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.486 3.988 0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.290 2.246 0.518 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.211 4.056 -1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.027 3.637 -0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.082 4.476 0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.788 2.730 0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.774 2.071 -2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.592 1.157 -0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.505 1.681 -2.321 1.00 0.00 H new ATOM 722 N GLY A 46 -6.663 3.934 0.102 1.00 0.00 N ATOM 723 CA GLY A 46 -7.747 3.994 1.075 1.00 0.00 C ATOM 724 C GLY A 46 -7.248 3.910 2.522 1.00 0.00 C ATOM 725 O GLY A 46 -8.001 3.465 3.394 1.00 0.00 O ATOM 0 H GLY A 46 -6.568 4.780 -0.460 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.301 4.923 0.939 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.444 3.177 0.887 1.00 0.00 H new ATOM 729 N LEU A 47 -5.982 4.258 2.787 1.00 0.00 N ATOM 730 CA LEU A 47 -5.396 4.232 4.126 1.00 0.00 C ATOM 731 C LEU A 47 -5.549 5.588 4.806 1.00 0.00 C ATOM 732 O LEU A 47 -5.888 6.584 4.167 1.00 0.00 O ATOM 733 CB LEU A 47 -3.918 3.808 4.081 1.00 0.00 C ATOM 734 CG LEU A 47 -3.674 2.331 3.713 1.00 0.00 C ATOM 735 CD1 LEU A 47 -2.190 2.025 3.940 1.00 0.00 C ATOM 736 CD2 LEU A 47 -4.509 1.340 4.532 1.00 0.00 C ATOM 0 H LEU A 47 -5.331 4.569 2.066 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.936 3.489 4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.397 4.437 3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.470 4.003 5.055 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.974 2.205 2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.990 0.984 3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.584 2.675 3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.939 2.198 4.986 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.281 0.323 4.214 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.272 1.452 5.590 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.569 1.540 4.375 1.00 0.00 H new ATOM 748 N SER A 48 -5.294 5.619 6.114 1.00 0.00 N ATOM 749 CA SER A 48 -5.215 6.849 6.875 1.00 0.00 C ATOM 750 C SER A 48 -3.903 7.563 6.560 1.00 0.00 C ATOM 751 O SER A 48 -2.895 6.939 6.227 1.00 0.00 O ATOM 752 CB SER A 48 -5.353 6.521 8.363 1.00 0.00 C ATOM 753 OG SER A 48 -5.723 7.678 9.083 1.00 0.00 O ATOM 0 H SER A 48 -5.136 4.780 6.672 1.00 0.00 H new ATOM 0 HA SER A 48 -6.026 7.525 6.602 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.101 5.741 8.503 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.410 6.131 8.746 1.00 0.00 H new ATOM 0 HG SER A 48 -5.810 7.458 10.034 1.00 0.00 H new ATOM 759 N GLN A 49 -3.928 8.882 6.706 1.00 0.00 N ATOM 760 CA GLN A 49 -2.889 9.806 6.288 1.00 0.00 C ATOM 761 C GLN A 49 -1.562 9.544 7.005 1.00 0.00 C ATOM 762 O GLN A 49 -0.509 9.598 6.367 1.00 0.00 O ATOM 763 CB GLN A 49 -3.348 11.241 6.582 1.00 0.00 C ATOM 764 CG GLN A 49 -4.518 11.762 5.732 1.00 0.00 C ATOM 765 CD GLN A 49 -5.911 11.525 6.321 1.00 0.00 C ATOM 766 OE1 GLN A 49 -6.182 10.523 6.979 1.00 0.00 O ATOM 767 NE2 GLN A 49 -6.840 12.437 6.078 1.00 0.00 N ATOM 0 H GLN A 49 -4.717 9.358 7.143 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.722 9.663 5.220 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.633 11.302 7.632 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.498 11.909 6.443 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.384 12.833 5.577 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.471 11.290 4.751 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.609 13.267 5.531 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.786 12.310 6.438 1.00 0.00 H new ATOM 776 N GLY A 50 -1.602 9.285 8.314 1.00 0.00 N ATOM 777 CA GLY A 50 -0.421 9.021 9.120 1.00 0.00 C ATOM 778 C GLY A 50 0.068 7.592 8.936 1.00 0.00 C ATOM 779 O GLY A 50 1.276 7.391 8.852 1.00 0.00 O ATOM 0 H GLY A 50 -2.472 9.254 8.846 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.372 9.717 8.845 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.649 9.197 10.171 1.00 0.00 H new ATOM 783 N SER A 51 -0.840 6.622 8.772 1.00 0.00 N ATOM 784 CA SER A 51 -0.477 5.268 8.376 1.00 0.00 C ATOM 785 C SER A 51 0.357 5.325 7.096 1.00 0.00 C ATOM 786 O SER A 51 1.463 4.792 7.051 1.00 0.00 O ATOM 787 CB SER A 51 -1.731 4.405 8.182 1.00 0.00 C ATOM 788 OG SER A 51 -2.240 3.908 9.407 1.00 0.00 O ATOM 0 H SER A 51 -1.841 6.759 8.911 1.00 0.00 H new ATOM 0 HA SER A 51 0.117 4.807 9.165 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.501 4.995 7.684 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.495 3.569 7.524 1.00 0.00 H new ATOM 0 HG SER A 51 -3.038 3.366 9.234 1.00 0.00 H new ATOM 794 N VAL A 52 -0.151 5.988 6.056 1.00 0.00 N ATOM 795 CA VAL A 52 0.540 6.119 4.780 1.00 0.00 C ATOM 796 C VAL A 52 1.868 6.891 4.925 1.00 0.00 C ATOM 797 O VAL A 52 2.795 6.699 4.131 1.00 0.00 O ATOM 798 CB VAL A 52 -0.460 6.697 3.748 1.00 0.00 C ATOM 799 CG1 VAL A 52 -0.071 8.090 3.223 1.00 0.00 C ATOM 800 CG2 VAL A 52 -0.729 5.650 2.654 1.00 0.00 C ATOM 0 H VAL A 52 -1.060 6.451 6.079 1.00 0.00 H new ATOM 0 HA VAL A 52 0.861 5.148 4.404 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.406 6.891 4.253 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.817 8.430 2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.022 8.792 4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.903 8.036 2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.433 6.056 1.927 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.206 5.399 2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.151 4.752 3.106 1.00 0.00 H new ATOM 810 N SER A 53 1.972 7.769 5.926 1.00 0.00 N ATOM 811 CA SER A 53 3.184 8.506 6.219 1.00 0.00 C ATOM 812 C SER A 53 4.252 7.558 6.761 1.00 0.00 C ATOM 813 O SER A 53 5.352 7.488 6.205 1.00 0.00 O ATOM 814 CB SER A 53 2.849 9.669 7.144 1.00 0.00 C ATOM 815 OG SER A 53 3.953 10.546 7.243 1.00 0.00 O ATOM 0 H SER A 53 1.201 7.984 6.559 1.00 0.00 H new ATOM 0 HA SER A 53 3.609 8.942 5.315 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.980 10.207 6.764 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.584 9.293 8.132 1.00 0.00 H new ATOM 0 HG SER A 53 3.727 11.291 7.838 1.00 0.00 H new ATOM 821 N ASP A 54 3.924 6.787 7.798 1.00 0.00 N ATOM 822 CA ASP A 54 4.827 5.802 8.377 1.00 0.00 C ATOM 823 C ASP A 54 5.200 4.751 7.343 1.00 0.00 C ATOM 824 O ASP A 54 6.329 4.263 7.337 1.00 0.00 O ATOM 825 CB ASP A 54 4.208 5.137 9.608 1.00 0.00 C ATOM 826 CG ASP A 54 4.738 5.777 10.880 1.00 0.00 C ATOM 827 OD1 ASP A 54 5.928 5.559 11.203 1.00 0.00 O ATOM 828 OD2 ASP A 54 3.941 6.468 11.557 1.00 0.00 O ATOM 0 H ASP A 54 3.016 6.832 8.261 1.00 0.00 H new ATOM 0 HA ASP A 54 5.731 6.323 8.693 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.123 5.230 9.572 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.437 4.071 9.607 1.00 0.00 H new ATOM 833 N MET A 55 4.285 4.410 6.440 1.00 0.00 N ATOM 834 CA MET A 55 4.527 3.503 5.331 1.00 0.00 C ATOM 835 C MET A 55 5.694 3.995 4.487 1.00 0.00 C ATOM 836 O MET A 55 6.680 3.278 4.333 1.00 0.00 O ATOM 837 CB MET A 55 3.243 3.366 4.500 1.00 0.00 C ATOM 838 CG MET A 55 2.629 1.981 4.635 1.00 0.00 C ATOM 839 SD MET A 55 2.312 1.379 6.323 1.00 0.00 S ATOM 840 CE MET A 55 0.547 1.766 6.448 1.00 0.00 C ATOM 0 H MET A 55 3.330 4.769 6.463 1.00 0.00 H new ATOM 0 HA MET A 55 4.798 2.518 5.712 1.00 0.00 H new ATOM 0 HB2 MET A 55 2.521 4.117 4.820 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.465 3.565 3.452 1.00 0.00 H new ATOM 0 HG2 MET A 55 1.685 1.974 4.090 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.288 1.268 4.139 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.268 1.856 7.498 1.00 0.00 H new ATOM 0 HE2 MET A 55 0.344 2.707 5.936 1.00 0.00 H new ATOM 0 HE3 MET A 55 -0.034 0.968 5.985 1.00 0.00 H new ATOM 850 N LEU A 56 5.579 5.179 3.897 1.00 0.00 N ATOM 851 CA LEU A 56 6.605 5.749 3.035 1.00 0.00 C ATOM 852 C LEU A 56 7.870 6.208 3.751 1.00 0.00 C ATOM 853 O LEU A 56 8.836 6.534 3.068 1.00 0.00 O ATOM 854 CB LEU A 56 6.039 6.951 2.280 1.00 0.00 C ATOM 855 CG LEU A 56 4.924 6.636 1.274 1.00 0.00 C ATOM 856 CD1 LEU A 56 4.798 7.821 0.319 1.00 0.00 C ATOM 857 CD2 LEU A 56 5.187 5.370 0.447 1.00 0.00 C ATOM 0 H LEU A 56 4.760 5.777 4.006 1.00 0.00 H new ATOM 0 HA LEU A 56 6.892 4.934 2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.656 7.667 3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.855 7.441 1.749 1.00 0.00 H new ATOM 0 HG LEU A 56 4.011 6.461 1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.010 7.621 -0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.550 8.719 0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.743 7.970 -0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.359 5.208 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.112 5.490 -0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.277 4.512 1.113 1.00 0.00 H new ATOM 869 N SER A 57 7.882 6.326 5.074 1.00 0.00 N ATOM 870 CA SER A 57 9.083 6.700 5.815 1.00 0.00 C ATOM 871 C SER A 57 9.840 5.457 6.294 1.00 0.00 C ATOM 872 O SER A 57 11.023 5.299 5.983 1.00 0.00 O ATOM 873 CB SER A 57 8.691 7.604 6.987 1.00 0.00 C ATOM 874 OG SER A 57 8.465 8.935 6.552 1.00 0.00 O ATOM 0 H SER A 57 7.064 6.166 5.662 1.00 0.00 H new ATOM 0 HA SER A 57 9.757 7.250 5.158 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.791 7.216 7.464 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.480 7.593 7.739 1.00 0.00 H new ATOM 0 HG SER A 57 8.214 9.492 7.319 1.00 0.00 H new ATOM 880 N ARG A 58 9.182 4.539 6.999 1.00 0.00 N ATOM 881 CA ARG A 58 9.822 3.403 7.671 1.00 0.00 C ATOM 882 C ARG A 58 9.055 2.107 7.369 1.00 0.00 C ATOM 883 O ARG A 58 8.457 1.521 8.280 1.00 0.00 O ATOM 884 CB ARG A 58 10.000 3.707 9.182 1.00 0.00 C ATOM 885 CG ARG A 58 8.707 4.102 9.934 1.00 0.00 C ATOM 886 CD ARG A 58 8.384 3.187 11.120 1.00 0.00 C ATOM 887 NE ARG A 58 9.114 3.545 12.348 1.00 0.00 N ATOM 888 CZ ARG A 58 8.577 4.164 13.405 1.00 0.00 C ATOM 889 NH1 ARG A 58 7.416 4.793 13.302 1.00 0.00 N ATOM 890 NH2 ARG A 58 9.198 4.173 14.577 1.00 0.00 N ATOM 0 H ARG A 58 8.170 4.562 7.123 1.00 0.00 H new ATOM 0 HA ARG A 58 10.828 3.248 7.280 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.427 2.828 9.665 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.725 4.514 9.290 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.804 5.127 10.292 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.871 4.086 9.235 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.313 3.225 11.318 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.622 2.158 10.851 1.00 0.00 H new ATOM 0 HE ARG A 58 10.104 3.303 12.396 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.922 4.809 12.410 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.016 5.262 14.115 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.098 3.704 14.681 1.00 0.00 H new ATOM 0 HH22 ARG A 58 8.776 4.649 15.374 1.00 0.00 H new ATOM 904 N PRO A 59 9.018 1.640 6.106 1.00 0.00 N ATOM 905 CA PRO A 59 8.257 0.453 5.721 1.00 0.00 C ATOM 906 C PRO A 59 8.814 -0.807 6.387 1.00 0.00 C ATOM 907 O PRO A 59 9.953 -0.829 6.853 1.00 0.00 O ATOM 908 CB PRO A 59 8.334 0.357 4.194 1.00 0.00 C ATOM 909 CG PRO A 59 9.532 1.222 3.817 1.00 0.00 C ATOM 910 CD PRO A 59 9.694 2.219 4.957 1.00 0.00 C ATOM 0 HA PRO A 59 7.221 0.535 6.051 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.470 -0.674 3.867 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.419 0.721 3.727 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.430 0.616 3.696 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.363 1.734 2.870 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.748 2.394 5.174 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.258 3.183 4.695 1.00 0.00 H new ATOM 918 N LYS A 60 8.019 -1.877 6.420 1.00 0.00 N ATOM 919 CA LYS A 60 8.394 -3.154 7.019 1.00 0.00 C ATOM 920 C LYS A 60 8.853 -4.091 5.901 1.00 0.00 C ATOM 921 O LYS A 60 8.371 -3.946 4.772 1.00 0.00 O ATOM 922 CB LYS A 60 7.188 -3.715 7.788 1.00 0.00 C ATOM 923 CG LYS A 60 6.832 -2.811 8.985 1.00 0.00 C ATOM 924 CD LYS A 60 5.330 -2.650 9.226 1.00 0.00 C ATOM 925 CE LYS A 60 4.673 -3.853 9.903 1.00 0.00 C ATOM 926 NZ LYS A 60 3.231 -3.604 10.124 1.00 0.00 N ATOM 0 H LYS A 60 7.079 -1.878 6.023 1.00 0.00 H new ATOM 0 HA LYS A 60 9.214 -3.040 7.728 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.331 -3.795 7.120 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.413 -4.722 8.141 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.291 -3.221 9.885 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.270 -1.826 8.825 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.165 -1.766 9.841 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.837 -2.470 8.271 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.803 -4.741 9.285 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.163 -4.053 10.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.802 -4.432 10.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.112 -2.769 10.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.764 -3.436 9.210 1.00 0.00 H new ATOM 940 N PRO A 61 9.741 -5.058 6.172 1.00 0.00 N ATOM 941 CA PRO A 61 10.178 -6.012 5.162 1.00 0.00 C ATOM 942 C PRO A 61 9.008 -6.925 4.788 1.00 0.00 C ATOM 943 O PRO A 61 8.131 -7.191 5.620 1.00 0.00 O ATOM 944 CB PRO A 61 11.340 -6.775 5.801 1.00 0.00 C ATOM 945 CG PRO A 61 11.070 -6.682 7.298 1.00 0.00 C ATOM 946 CD PRO A 61 10.328 -5.356 7.469 1.00 0.00 C ATOM 0 HA PRO A 61 10.504 -5.541 4.235 1.00 0.00 H new ATOM 0 HB2 PRO A 61 11.368 -7.812 5.465 1.00 0.00 H new ATOM 0 HB3 PRO A 61 12.300 -6.329 5.541 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.468 -7.522 7.646 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.997 -6.695 7.871 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.559 -5.435 8.237 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.009 -4.564 7.781 1.00 0.00 H new ATOM 954 N TRP A 62 9.011 -7.450 3.557 1.00 0.00 N ATOM 955 CA TRP A 62 7.946 -8.312 3.046 1.00 0.00 C ATOM 956 C TRP A 62 7.623 -9.447 4.013 1.00 0.00 C ATOM 957 O TRP A 62 6.456 -9.743 4.288 1.00 0.00 O ATOM 958 CB TRP A 62 8.344 -8.931 1.703 1.00 0.00 C ATOM 959 CG TRP A 62 7.269 -9.802 1.143 1.00 0.00 C ATOM 960 CD1 TRP A 62 7.271 -11.153 1.129 1.00 0.00 C ATOM 961 CD2 TRP A 62 6.015 -9.392 0.535 1.00 0.00 C ATOM 962 NE1 TRP A 62 6.150 -11.603 0.467 1.00 0.00 N ATOM 963 CE2 TRP A 62 5.340 -10.561 0.087 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.384 -8.152 0.312 1.00 0.00 C ATOM 965 CZ2 TRP A 62 4.128 -10.506 -0.598 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.149 -8.084 -0.358 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.527 -9.258 -0.821 1.00 0.00 C ATOM 0 H TRP A 62 9.760 -7.285 2.884 1.00 0.00 H new ATOM 0 HA TRP A 62 7.067 -7.679 2.926 1.00 0.00 H new ATOM 0 HB2 TRP A 62 8.573 -8.137 0.992 1.00 0.00 H new ATOM 0 HB3 TRP A 62 9.254 -9.517 1.830 1.00 0.00 H new ATOM 0 HD1 TRP A 62 8.032 -11.781 1.568 1.00 0.00 H new ATOM 0 HE1 TRP A 62 5.947 -12.585 0.282 1.00 0.00 H new ATOM 0 HE3 TRP A 62 5.854 -7.244 0.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.658 -11.411 -0.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 3.676 -7.126 -0.518 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.586 -9.198 -1.348 1.00 0.00 H new ATOM 978 N SER A 63 8.673 -10.063 4.548 1.00 0.00 N ATOM 979 CA SER A 63 8.640 -11.210 5.434 1.00 0.00 C ATOM 980 C SER A 63 7.769 -10.954 6.661 1.00 0.00 C ATOM 981 O SER A 63 7.062 -11.850 7.124 1.00 0.00 O ATOM 982 CB SER A 63 10.083 -11.514 5.861 1.00 0.00 C ATOM 983 OG SER A 63 10.985 -11.242 4.799 1.00 0.00 O ATOM 0 H SER A 63 9.626 -9.751 4.359 1.00 0.00 H new ATOM 0 HA SER A 63 8.203 -12.059 4.909 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.345 -10.912 6.731 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.168 -12.559 6.159 1.00 0.00 H new ATOM 0 HG SER A 63 11.900 -11.439 5.088 1.00 0.00 H new ATOM 989 N LYS A 64 7.846 -9.739 7.210 1.00 0.00 N ATOM 990 CA LYS A 64 7.147 -9.349 8.432 1.00 0.00 C ATOM 991 C LYS A 64 5.699 -8.966 8.173 1.00 0.00 C ATOM 992 O LYS A 64 4.920 -8.913 9.126 1.00 0.00 O ATOM 993 CB LYS A 64 7.885 -8.169 9.077 1.00 0.00 C ATOM 994 CG LYS A 64 9.160 -8.641 9.786 1.00 0.00 C ATOM 995 CD LYS A 64 8.887 -9.128 11.215 1.00 0.00 C ATOM 996 CE LYS A 64 9.342 -10.566 11.507 1.00 0.00 C ATOM 997 NZ LYS A 64 8.265 -11.583 11.421 1.00 0.00 N ATOM 0 H LYS A 64 8.406 -8.987 6.809 1.00 0.00 H new ATOM 0 HA LYS A 64 7.139 -10.209 9.101 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.140 -7.434 8.314 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.229 -7.672 9.792 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.615 -9.447 9.211 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.881 -7.824 9.815 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.385 -8.456 11.914 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.817 -9.054 11.410 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.133 -10.833 10.806 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.777 -10.600 12.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.613 -12.490 11.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.446 -11.270 11.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.980 -11.703 10.428 1.00 0.00 H new ATOM 1011 N LEU A 65 5.337 -8.629 6.937 1.00 0.00 N ATOM 1012 CA LEU A 65 3.957 -8.331 6.599 1.00 0.00 C ATOM 1013 C LEU A 65 3.212 -9.650 6.405 1.00 0.00 C ATOM 1014 O LEU A 65 3.812 -10.684 6.123 1.00 0.00 O ATOM 1015 CB LEU A 65 3.894 -7.458 5.340 1.00 0.00 C ATOM 1016 CG LEU A 65 4.560 -6.075 5.465 1.00 0.00 C ATOM 1017 CD1 LEU A 65 4.606 -5.427 4.078 1.00 0.00 C ATOM 1018 CD2 LEU A 65 3.779 -5.172 6.434 1.00 0.00 C ATOM 0 H LEU A 65 5.987 -8.557 6.154 1.00 0.00 H new ATOM 0 HA LEU A 65 3.483 -7.769 7.404 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.366 -7.998 4.519 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.848 -7.316 5.068 1.00 0.00 H new ATOM 0 HG LEU A 65 5.568 -6.199 5.860 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.075 -4.446 4.150 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.184 -6.057 3.401 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.592 -5.317 3.694 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.271 -4.202 6.504 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.762 -5.038 6.066 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.750 -5.636 7.420 1.00 0.00 H new ATOM 1030 N THR A 66 1.893 -9.602 6.550 1.00 0.00 N ATOM 1031 CA THR A 66 0.983 -10.735 6.395 1.00 0.00 C ATOM 1032 C THR A 66 0.085 -10.483 5.173 1.00 0.00 C ATOM 1033 O THR A 66 0.213 -9.414 4.582 1.00 0.00 O ATOM 1034 CB THR A 66 0.202 -10.858 7.708 1.00 0.00 C ATOM 1035 OG1 THR A 66 -0.590 -9.700 7.944 1.00 0.00 O ATOM 1036 CG2 THR A 66 1.100 -11.056 8.933 1.00 0.00 C ATOM 0 H THR A 66 1.406 -8.738 6.789 1.00 0.00 H new ATOM 0 HA THR A 66 1.500 -11.677 6.211 1.00 0.00 H new ATOM 0 HB THR A 66 -0.422 -11.743 7.582 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.079 -9.805 8.787 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.483 -11.135 9.828 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.684 -11.969 8.813 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.774 -10.205 9.032 1.00 0.00 H new ATOM 1044 N GLN A 67 -0.873 -11.353 4.806 1.00 0.00 N ATOM 1045 CA GLN A 67 -1.802 -11.043 3.702 1.00 0.00 C ATOM 1046 C GLN A 67 -2.444 -9.664 3.898 1.00 0.00 C ATOM 1047 O GLN A 67 -2.444 -8.841 2.979 1.00 0.00 O ATOM 1048 CB GLN A 67 -2.945 -12.061 3.577 1.00 0.00 C ATOM 1049 CG GLN A 67 -2.561 -13.470 3.131 1.00 0.00 C ATOM 1050 CD GLN A 67 -3.835 -14.297 2.976 1.00 0.00 C ATOM 1051 OE1 GLN A 67 -4.311 -14.900 3.930 1.00 0.00 O ATOM 1052 NE2 GLN A 67 -4.452 -14.298 1.805 1.00 0.00 N ATOM 0 H GLN A 67 -1.024 -12.260 5.247 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.195 -11.073 2.797 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.443 -12.134 4.544 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.676 -11.667 2.870 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.017 -13.433 2.187 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.898 -13.931 3.863 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.049 -13.793 1.016 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.331 -14.803 1.692 1.00 0.00 H new ATOM 1061 N LYS A 68 -2.959 -9.397 5.107 1.00 0.00 N ATOM 1062 CA LYS A 68 -3.566 -8.109 5.435 1.00 0.00 C ATOM 1063 C LYS A 68 -2.496 -7.020 5.356 1.00 0.00 C ATOM 1064 O LYS A 68 -2.710 -5.982 4.744 1.00 0.00 O ATOM 1065 CB LYS A 68 -4.245 -8.186 6.819 1.00 0.00 C ATOM 1066 CG LYS A 68 -5.491 -7.295 6.977 1.00 0.00 C ATOM 1067 CD LYS A 68 -5.225 -5.786 6.915 1.00 0.00 C ATOM 1068 CE LYS A 68 -6.523 -4.976 6.945 1.00 0.00 C ATOM 1069 NZ LYS A 68 -7.204 -4.932 8.256 1.00 0.00 N ATOM 0 H LYS A 68 -2.964 -10.066 5.877 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.347 -7.856 4.718 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.529 -9.221 7.012 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.517 -7.907 7.581 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.205 -7.554 6.196 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.965 -7.526 7.931 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.595 -5.494 7.755 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.672 -5.552 6.005 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.303 -3.955 6.633 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.211 -5.393 6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.071 -4.362 8.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.450 -5.898 8.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.571 -4.504 8.962 1.00 0.00 H new ATOM 1083 N GLY A 69 -1.311 -7.257 5.922 1.00 0.00 N ATOM 1084 CA GLY A 69 -0.231 -6.281 5.874 1.00 0.00 C ATOM 1085 C GLY A 69 0.234 -5.945 4.450 1.00 0.00 C ATOM 1086 O GLY A 69 0.751 -4.850 4.234 1.00 0.00 O ATOM 0 H GLY A 69 -1.079 -8.118 6.418 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -0.559 -5.365 6.365 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.617 -6.662 6.443 1.00 0.00 H new ATOM 1090 N ARG A 70 0.104 -6.864 3.489 1.00 0.00 N ATOM 1091 CA ARG A 70 0.661 -6.742 2.140 1.00 0.00 C ATOM 1092 C ARG A 70 -0.310 -6.060 1.181 1.00 0.00 C ATOM 1093 O ARG A 70 0.135 -5.437 0.223 1.00 0.00 O ATOM 1094 CB ARG A 70 1.041 -8.145 1.630 1.00 0.00 C ATOM 1095 CG ARG A 70 2.262 -8.692 2.392 1.00 0.00 C ATOM 1096 CD ARG A 70 2.398 -10.211 2.300 1.00 0.00 C ATOM 1097 NE ARG A 70 3.628 -10.680 2.966 1.00 0.00 N ATOM 1098 CZ ARG A 70 3.955 -11.952 3.222 1.00 0.00 C ATOM 1099 NH1 ARG A 70 3.138 -12.950 2.917 1.00 0.00 N ATOM 1100 NH2 ARG A 70 5.120 -12.228 3.794 1.00 0.00 N ATOM 0 H ARG A 70 -0.405 -7.736 3.632 1.00 0.00 H new ATOM 0 HA ARG A 70 1.549 -6.111 2.184 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.196 -8.823 1.753 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.262 -8.102 0.563 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.166 -8.228 1.997 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.187 -8.403 3.440 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.530 -10.684 2.759 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.410 -10.515 1.253 1.00 0.00 H new ATOM 0 HE ARG A 70 4.294 -9.965 3.260 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.238 -12.756 2.477 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.409 -13.912 3.122 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.761 -11.472 4.036 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.375 -13.196 3.992 1.00 0.00 H new ATOM 1114 N GLU A 71 -1.610 -6.116 1.459 1.00 0.00 N ATOM 1115 CA GLU A 71 -2.683 -5.484 0.686 1.00 0.00 C ATOM 1116 C GLU A 71 -2.344 -4.074 0.160 1.00 0.00 C ATOM 1117 O GLU A 71 -2.402 -3.867 -1.055 1.00 0.00 O ATOM 1118 CB GLU A 71 -3.964 -5.483 1.539 1.00 0.00 C ATOM 1119 CG GLU A 71 -4.852 -6.699 1.284 1.00 0.00 C ATOM 1120 CD GLU A 71 -5.849 -6.362 0.183 1.00 0.00 C ATOM 1121 OE1 GLU A 71 -5.482 -6.396 -1.014 1.00 0.00 O ATOM 1122 OE2 GLU A 71 -6.964 -5.910 0.522 1.00 0.00 O ATOM 0 H GLU A 71 -1.964 -6.627 2.268 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.829 -6.074 -0.219 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.691 -5.454 2.594 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.531 -4.576 1.331 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.244 -7.555 0.992 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.379 -6.979 2.196 1.00 0.00 H new ATOM 1129 N PRO A 72 -2.008 -3.082 1.000 1.00 0.00 N ATOM 1130 CA PRO A 72 -1.746 -1.728 0.514 1.00 0.00 C ATOM 1131 C PRO A 72 -0.422 -1.649 -0.260 1.00 0.00 C ATOM 1132 O PRO A 72 -0.340 -0.963 -1.278 1.00 0.00 O ATOM 1133 CB PRO A 72 -1.758 -0.842 1.761 1.00 0.00 C ATOM 1134 CG PRO A 72 -1.360 -1.810 2.874 1.00 0.00 C ATOM 1135 CD PRO A 72 -1.970 -3.135 2.452 1.00 0.00 C ATOM 0 HA PRO A 72 -2.498 -1.399 -0.203 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.054 -0.014 1.675 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.742 -0.407 1.937 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.277 -1.883 2.970 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.744 -1.485 3.841 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.370 -3.975 2.801 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.969 -3.261 2.869 1.00 0.00 H new ATOM 1143 N PHE A 73 0.612 -2.383 0.164 1.00 0.00 N ATOM 1144 CA PHE A 73 1.874 -2.478 -0.562 1.00 0.00 C ATOM 1145 C PHE A 73 1.652 -2.981 -1.990 1.00 0.00 C ATOM 1146 O PHE A 73 2.287 -2.473 -2.911 1.00 0.00 O ATOM 1147 CB PHE A 73 2.856 -3.390 0.187 1.00 0.00 C ATOM 1148 CG PHE A 73 3.505 -2.736 1.391 1.00 0.00 C ATOM 1149 CD1 PHE A 73 2.896 -2.755 2.660 1.00 0.00 C ATOM 1150 CD2 PHE A 73 4.724 -2.061 1.225 1.00 0.00 C ATOM 1151 CE1 PHE A 73 3.508 -2.100 3.747 1.00 0.00 C ATOM 1152 CE2 PHE A 73 5.348 -1.429 2.307 1.00 0.00 C ATOM 1153 CZ PHE A 73 4.733 -1.437 3.568 1.00 0.00 C ATOM 0 H PHE A 73 0.593 -2.929 1.025 1.00 0.00 H new ATOM 0 HA PHE A 73 2.306 -1.479 -0.623 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.328 -4.286 0.513 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.635 -3.713 -0.503 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.958 -3.272 2.801 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.187 -2.029 0.250 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.035 -2.108 4.718 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.300 -0.937 2.172 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.201 -0.933 4.401 1.00 0.00 H new ATOM 1163 N ILE A 74 0.776 -3.964 -2.192 1.00 0.00 N ATOM 1164 CA ILE A 74 0.419 -4.480 -3.511 1.00 0.00 C ATOM 1165 C ILE A 74 -0.170 -3.353 -4.357 1.00 0.00 C ATOM 1166 O ILE A 74 0.211 -3.208 -5.512 1.00 0.00 O ATOM 1167 CB ILE A 74 -0.566 -5.659 -3.325 1.00 0.00 C ATOM 1168 CG1 ILE A 74 0.188 -6.908 -2.830 1.00 0.00 C ATOM 1169 CG2 ILE A 74 -1.402 -5.971 -4.574 1.00 0.00 C ATOM 1170 CD1 ILE A 74 -0.716 -7.915 -2.117 1.00 0.00 C ATOM 0 H ILE A 74 0.286 -4.432 -1.429 1.00 0.00 H new ATOM 0 HA ILE A 74 1.296 -4.851 -4.040 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.285 -5.347 -2.567 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.666 -7.396 -3.679 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.983 -6.599 -2.151 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.068 -6.808 -4.366 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.993 -5.096 -4.844 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.740 -6.231 -5.400 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.123 -8.771 -1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.174 -7.442 -1.248 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.496 -8.251 -2.800 1.00 0.00 H new ATOM 1182 N ARG A 75 -1.083 -2.532 -3.831 1.00 0.00 N ATOM 1183 CA ARG A 75 -1.619 -1.429 -4.603 1.00 0.00 C ATOM 1184 C ARG A 75 -0.548 -0.393 -4.908 1.00 0.00 C ATOM 1185 O ARG A 75 -0.567 0.167 -6.000 1.00 0.00 O ATOM 1186 CB ARG A 75 -2.815 -0.846 -3.862 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.001 -1.807 -3.977 1.00 0.00 C ATOM 1188 CD ARG A 75 -5.343 -1.093 -3.812 1.00 0.00 C ATOM 1189 NE ARG A 75 -6.423 -2.040 -4.131 1.00 0.00 N ATOM 1190 CZ ARG A 75 -7.333 -2.553 -3.299 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -7.519 -2.072 -2.073 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -8.080 -3.567 -3.706 1.00 0.00 N ATOM 0 H ARG A 75 -1.457 -2.615 -2.886 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.961 -1.788 -5.574 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.564 -0.684 -2.814 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.078 0.126 -4.280 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.972 -2.302 -4.948 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.910 -2.585 -3.219 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.452 -0.725 -2.792 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.393 -0.226 -4.471 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.484 -2.341 -5.104 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.958 -1.287 -1.742 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.223 -2.488 -1.463 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.957 -3.947 -4.645 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.779 -3.969 -3.081 1.00 0.00 H new ATOM 1206 N MET A 76 0.421 -0.188 -4.015 1.00 0.00 N ATOM 1207 CA MET A 76 1.602 0.602 -4.312 1.00 0.00 C ATOM 1208 C MET A 76 2.346 0.068 -5.547 1.00 0.00 C ATOM 1209 O MET A 76 2.711 0.874 -6.404 1.00 0.00 O ATOM 1210 CB MET A 76 2.507 0.673 -3.062 1.00 0.00 C ATOM 1211 CG MET A 76 2.593 2.094 -2.531 1.00 0.00 C ATOM 1212 SD MET A 76 3.897 2.456 -1.328 1.00 0.00 S ATOM 1213 CE MET A 76 3.104 1.827 0.153 1.00 0.00 C ATOM 0 H MET A 76 0.403 -0.567 -3.068 1.00 0.00 H new ATOM 0 HA MET A 76 1.295 1.617 -4.565 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.115 0.015 -2.287 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.505 0.313 -3.311 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.723 2.764 -3.381 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.635 2.341 -2.074 1.00 0.00 H new ATOM 0 HE1 MET A 76 3.766 1.966 1.007 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.173 2.367 0.324 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.890 0.765 0.028 1.00 0.00 H new ATOM 1223 N GLN A 77 2.554 -1.253 -5.640 1.00 0.00 N ATOM 1224 CA GLN A 77 3.212 -1.918 -6.772 1.00 0.00 C ATOM 1225 C GLN A 77 2.397 -1.722 -8.035 1.00 0.00 C ATOM 1226 O GLN A 77 2.921 -1.249 -9.034 1.00 0.00 O ATOM 1227 CB GLN A 77 3.385 -3.425 -6.514 1.00 0.00 C ATOM 1228 CG GLN A 77 4.447 -3.664 -5.455 1.00 0.00 C ATOM 1229 CD GLN A 77 4.248 -4.935 -4.664 1.00 0.00 C ATOM 1230 OE1 GLN A 77 4.507 -6.050 -5.116 1.00 0.00 O ATOM 1231 NE2 GLN A 77 3.812 -4.789 -3.433 1.00 0.00 N ATOM 0 H GLN A 77 2.262 -1.904 -4.911 1.00 0.00 H new ATOM 0 HA GLN A 77 4.198 -1.469 -6.891 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.437 -3.856 -6.191 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.665 -3.929 -7.439 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.425 -3.696 -5.936 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.458 -2.818 -4.768 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.602 -3.858 -3.073 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.684 -5.607 -2.837 1.00 0.00 H new ATOM 1240 N LEU A 78 1.110 -2.054 -7.980 1.00 0.00 N ATOM 1241 CA LEU A 78 0.266 -2.000 -9.158 1.00 0.00 C ATOM 1242 C LEU A 78 0.237 -0.594 -9.713 1.00 0.00 C ATOM 1243 O LEU A 78 0.451 -0.408 -10.903 1.00 0.00 O ATOM 1244 CB LEU A 78 -1.144 -2.504 -8.842 1.00 0.00 C ATOM 1245 CG LEU A 78 -1.193 -4.016 -8.550 1.00 0.00 C ATOM 1246 CD1 LEU A 78 -2.551 -4.340 -7.926 1.00 0.00 C ATOM 1247 CD2 LEU A 78 -0.974 -4.876 -9.799 1.00 0.00 C ATOM 0 H LEU A 78 0.635 -2.362 -7.132 1.00 0.00 H new ATOM 0 HA LEU A 78 0.685 -2.658 -9.919 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.533 -1.961 -7.981 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.800 -2.281 -9.683 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.377 -4.254 -7.868 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.607 -5.407 -7.711 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.670 -3.777 -7.001 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.345 -4.068 -8.621 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.020 -5.931 -9.527 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.750 -4.656 -10.533 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.004 -4.654 -10.227 1.00 0.00 H new ATOM 1259 N TRP A 79 0.056 0.410 -8.862 1.00 0.00 N ATOM 1260 CA TRP A 79 0.001 1.787 -9.306 1.00 0.00 C ATOM 1261 C TRP A 79 1.259 2.229 -10.055 1.00 0.00 C ATOM 1262 O TRP A 79 1.147 3.045 -10.966 1.00 0.00 O ATOM 1263 CB TRP A 79 -0.228 2.664 -8.083 1.00 0.00 C ATOM 1264 CG TRP A 79 -0.231 4.129 -8.355 1.00 0.00 C ATOM 1265 CD1 TRP A 79 -1.299 4.904 -8.655 1.00 0.00 C ATOM 1266 CD2 TRP A 79 0.928 5.008 -8.363 1.00 0.00 C ATOM 1267 NE1 TRP A 79 -0.871 6.208 -8.823 1.00 0.00 N ATOM 1268 CE2 TRP A 79 0.491 6.334 -8.630 1.00 0.00 C ATOM 1269 CE3 TRP A 79 2.307 4.802 -8.153 1.00 0.00 C ATOM 1270 CZ2 TRP A 79 1.384 7.419 -8.657 1.00 0.00 C ATOM 1271 CZ3 TRP A 79 3.208 5.880 -8.164 1.00 0.00 C ATOM 1272 CH2 TRP A 79 2.753 7.186 -8.422 1.00 0.00 C ATOM 0 H TRP A 79 -0.055 0.288 -7.855 1.00 0.00 H new ATOM 0 HA TRP A 79 -0.817 1.886 -10.020 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -1.182 2.391 -7.631 1.00 0.00 H new ATOM 0 HB3 TRP A 79 0.547 2.447 -7.348 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -2.319 4.560 -8.748 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -1.488 6.985 -9.061 1.00 0.00 H new ATOM 0 HE3 TRP A 79 2.676 3.802 -7.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 1.025 8.418 -8.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.257 5.705 -7.973 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.452 8.009 -8.440 1.00 0.00 H new ATOM 1283 N LEU A 80 2.439 1.707 -9.702 1.00 0.00 N ATOM 1284 CA LEU A 80 3.683 2.070 -10.376 1.00 0.00 C ATOM 1285 C LEU A 80 3.566 1.823 -11.872 1.00 0.00 C ATOM 1286 O LEU A 80 4.040 2.660 -12.638 1.00 0.00 O ATOM 1287 CB LEU A 80 4.880 1.279 -9.816 1.00 0.00 C ATOM 1288 CG LEU A 80 5.631 2.004 -8.688 1.00 0.00 C ATOM 1289 CD1 LEU A 80 6.216 1.000 -7.703 1.00 0.00 C ATOM 1290 CD2 LEU A 80 6.769 2.837 -9.265 1.00 0.00 C ATOM 0 H LEU A 80 2.555 1.029 -8.949 1.00 0.00 H new ATOM 0 HA LEU A 80 3.857 3.131 -10.194 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.526 0.317 -9.444 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.577 1.070 -10.628 1.00 0.00 H new ATOM 0 HG LEU A 80 4.921 2.650 -8.172 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.744 1.532 -6.912 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.412 0.407 -7.268 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.911 0.342 -8.224 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.294 3.346 -8.456 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.464 2.186 -9.795 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.365 3.576 -9.957 1.00 0.00 H new ATOM 1302 N SER A 81 2.997 0.688 -12.281 1.00 0.00 N ATOM 1303 CA SER A 81 2.844 0.324 -13.685 1.00 0.00 C ATOM 1304 C SER A 81 1.457 0.717 -14.216 1.00 0.00 C ATOM 1305 O SER A 81 1.347 1.430 -15.214 1.00 0.00 O ATOM 1306 CB SER A 81 3.141 -1.173 -13.824 1.00 0.00 C ATOM 1307 OG SER A 81 4.078 -1.436 -14.850 1.00 0.00 O ATOM 0 H SER A 81 2.626 -0.011 -11.637 1.00 0.00 H new ATOM 0 HA SER A 81 3.552 0.877 -14.302 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.523 -1.556 -12.878 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.215 -1.708 -14.034 1.00 0.00 H new ATOM 0 HG SER A 81 4.241 -2.401 -14.905 1.00 0.00 H new ATOM 1313 N ASP A 82 0.409 0.235 -13.546 1.00 0.00 N ATOM 1314 CA ASP A 82 -0.998 0.268 -13.945 1.00 0.00 C ATOM 1315 C ASP A 82 -1.589 1.669 -13.819 1.00 0.00 C ATOM 1316 O ASP A 82 -2.579 1.978 -14.476 1.00 0.00 O ATOM 1317 CB ASP A 82 -1.871 -0.621 -13.024 1.00 0.00 C ATOM 1318 CG ASP A 82 -1.572 -2.124 -12.967 1.00 0.00 C ATOM 1319 OD1 ASP A 82 -0.547 -2.592 -13.526 1.00 0.00 O ATOM 1320 OD2 ASP A 82 -2.397 -2.831 -12.339 1.00 0.00 O ATOM 0 H ASP A 82 0.531 -0.223 -12.643 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.010 -0.082 -14.977 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.792 -0.228 -12.010 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -2.909 -0.500 -13.333 1.00 0.00 H new ATOM 1325 N GLN A 83 -1.054 2.499 -12.915 1.00 0.00 N ATOM 1326 CA GLN A 83 -1.619 3.758 -12.460 1.00 0.00 C ATOM 1327 C GLN A 83 -3.074 3.674 -11.960 1.00 0.00 C ATOM 1328 O GLN A 83 -3.702 4.713 -11.742 1.00 0.00 O ATOM 1329 CB GLN A 83 -1.374 4.829 -13.535 1.00 0.00 C ATOM 1330 CG GLN A 83 -0.783 6.074 -12.877 1.00 0.00 C ATOM 1331 CD GLN A 83 -0.648 7.230 -13.865 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -1.593 7.626 -14.544 1.00 0.00 O ATOM 1333 NE2 GLN A 83 0.539 7.798 -13.986 1.00 0.00 N ATOM 0 H GLN A 83 -0.165 2.290 -12.461 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.096 4.054 -11.551 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.694 4.448 -14.297 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.309 5.078 -14.038 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -1.416 6.380 -12.044 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.196 5.835 -12.462 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.322 7.468 -13.422 1.00 0.00 H new ATOM 0 HE22 GLN A 83 0.672 8.566 -14.644 1.00 0.00 H new ATOM 1342 N LEU A 84 -3.591 2.462 -11.711 1.00 0.00 N ATOM 1343 CA LEU A 84 -4.988 2.152 -11.420 1.00 0.00 C ATOM 1344 C LEU A 84 -5.922 2.925 -12.342 1.00 0.00 C ATOM 1345 O LEU A 84 -6.541 3.912 -11.944 1.00 0.00 O ATOM 1346 CB LEU A 84 -5.322 2.326 -9.944 1.00 0.00 C ATOM 1347 CG LEU A 84 -4.818 1.131 -9.118 1.00 0.00 C ATOM 1348 CD1 LEU A 84 -3.438 1.360 -8.523 1.00 0.00 C ATOM 1349 CD2 LEU A 84 -5.814 0.891 -8.006 1.00 0.00 C ATOM 0 H LEU A 84 -3.006 1.626 -11.709 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.146 1.094 -11.629 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.871 3.246 -9.572 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.400 2.428 -9.821 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.730 0.269 -9.779 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.138 0.482 -7.952 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.720 1.534 -9.325 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.465 2.229 -7.865 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.486 0.047 -7.399 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.884 1.782 -7.382 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.792 0.671 -8.435 1.00 0.00 H new