USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 943 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 15 GLN : amide:sc= -0.0329 X(o=-0.045,f=-0.013) USER MOD Set 1.2: A 17 THR OG1 : rot 180:sc= -0.0125 USER MOD Set 2.1: A 8 LYS NZ :NH3+ 172:sc= -10.6! (180deg=-8.34!) USER MOD Set 2.2: A 47 MET CE :methyl 165:sc= -9.47 (180deg=-8.22!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.314 K(o=-0.31,f=-1.8!) USER MOD Single : A 28 GLN : amide:sc= -0.0086 X(o=-0.0086,f=-0.0052) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.42) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0809 X(o=-0.081,f=-0.26) USER MOD Single : A 44 MET CE :methyl -125:sc= -0.726 (180deg=-2.08!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= -4.7! C(o=-4.7!,f=-6.4!) USER MOD Single : A 52 HIS : no HE2:sc= -12.2! C(o=-12!,f=-18!) USER MOD Single : A 53 HIS : no HD1:sc= -0.0506 X(o=-0.051,f=-0.15) USER MOD Single : A 57 SER OG : rot 87:sc=-0.00948! USER MOD Single : A 60 ASN : amide:sc= -1.59 K(o=-1.6,f=-4.5!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.0274 X(o=-0.027,f=-0.17) USER MOD Single : A 76 ASN : amide:sc= -0.315 K(o=-0.31,f=-3!) USER MOD Single : A 79 THR OG1 : rot 144:sc= -1.93! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.676! USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= -0.073 X(o=-0.073,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00405) USER MOD Single : A 105 ASN : amide:sc= -0.813 X(o=-0.81,f=-1.2) USER MOD Single : A 106 ASN : amide:sc= -3.96! K(o=-4!,f=-0.26) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl -139:sc= -0.776 (180deg=-2.99!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 95 N ILE A 7 -3.180 -9.379 -10.077 1.00 0.00 N ATOM 96 CA ILE A 7 -3.225 -7.982 -9.679 1.00 0.00 C ATOM 97 C ILE A 7 -4.331 -7.787 -8.639 1.00 0.00 C ATOM 98 O ILE A 7 -5.471 -8.197 -8.856 1.00 0.00 O ATOM 99 CB ILE A 7 -3.370 -7.080 -10.907 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.629 -7.667 -12.109 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.916 -5.653 -10.594 1.00 0.00 C ATOM 102 CD1 ILE A 7 -3.613 -8.149 -13.178 1.00 0.00 C ATOM 0 HA ILE A 7 -2.287 -7.690 -9.206 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.426 -7.031 -11.173 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.965 -6.915 -12.534 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.003 -8.498 -11.784 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.029 -5.032 -11.483 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.525 -5.246 -9.787 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.870 -5.663 -10.289 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.060 -8.562 -14.022 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -4.260 -8.918 -12.757 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.221 -7.310 -13.518 1.00 0.00 H new ATOM 114 N LYS A 8 -3.956 -7.163 -7.533 1.00 0.00 N ATOM 115 CA LYS A 8 -4.901 -6.910 -6.459 1.00 0.00 C ATOM 116 C LYS A 8 -4.434 -5.700 -5.648 1.00 0.00 C ATOM 117 O LYS A 8 -3.247 -5.565 -5.355 1.00 0.00 O ATOM 118 CB LYS A 8 -5.107 -8.172 -5.617 1.00 0.00 C ATOM 119 CG LYS A 8 -6.470 -8.805 -5.903 1.00 0.00 C ATOM 120 CD LYS A 8 -7.607 -7.907 -5.410 1.00 0.00 C ATOM 121 CE LYS A 8 -7.493 -7.654 -3.905 1.00 0.00 C ATOM 122 NZ LYS A 8 -7.174 -6.233 -3.641 1.00 0.00 N ATOM 0 H LYS A 8 -3.010 -6.825 -7.357 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.881 -6.662 -6.866 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.316 -8.890 -5.832 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.032 -7.923 -4.558 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.577 -8.978 -6.974 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.533 -9.778 -5.415 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.583 -6.958 -5.945 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.566 -8.374 -5.632 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.429 -7.920 -3.414 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.718 -8.292 -3.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.233 -6.048 -2.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.211 -6.025 -3.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.853 -5.626 -4.143 1.00 0.00 H new ATOM 136 N VAL A 9 -5.392 -4.849 -5.310 1.00 0.00 N ATOM 137 CA VAL A 9 -5.092 -3.654 -4.540 1.00 0.00 C ATOM 138 C VAL A 9 -5.990 -3.612 -3.301 1.00 0.00 C ATOM 139 O VAL A 9 -7.203 -3.787 -3.404 1.00 0.00 O ATOM 140 CB VAL A 9 -5.235 -2.412 -5.423 1.00 0.00 C ATOM 141 CG1 VAL A 9 -3.867 -1.919 -5.899 1.00 0.00 C ATOM 142 CG2 VAL A 9 -6.162 -2.687 -6.608 1.00 0.00 C ATOM 0 H VAL A 9 -6.375 -4.963 -5.555 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.059 -3.673 -4.193 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.685 -1.622 -4.822 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.996 -1.036 -6.525 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.251 -1.666 -5.036 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.378 -2.704 -6.476 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.247 -1.789 -7.220 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.753 -3.498 -7.210 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.148 -2.970 -6.240 1.00 0.00 H new ATOM 152 N LEU A 10 -5.359 -3.381 -2.159 1.00 0.00 N ATOM 153 CA LEU A 10 -6.086 -3.315 -0.903 1.00 0.00 C ATOM 154 C LEU A 10 -6.056 -1.879 -0.375 1.00 0.00 C ATOM 155 O LEU A 10 -4.985 -1.336 -0.107 1.00 0.00 O ATOM 156 CB LEU A 10 -5.540 -4.345 0.087 1.00 0.00 C ATOM 157 CG LEU A 10 -5.454 -3.893 1.546 1.00 0.00 C ATOM 158 CD1 LEU A 10 -4.215 -3.026 1.781 1.00 0.00 C ATOM 159 CD2 LEU A 10 -6.739 -3.184 1.977 1.00 0.00 C ATOM 0 H LEU A 10 -4.352 -3.237 -2.077 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.133 -3.577 -1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.169 -5.234 0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.543 -4.641 -0.240 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.349 -4.779 2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.179 -2.719 2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.319 -3.598 1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.263 -2.142 1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.651 -2.873 3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.899 -2.308 1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.583 -3.865 1.872 1.00 0.00 H new ATOM 171 N ILE A 11 -7.243 -1.305 -0.244 1.00 0.00 N ATOM 172 CA ILE A 11 -7.365 0.057 0.246 1.00 0.00 C ATOM 173 C ILE A 11 -8.061 0.044 1.609 1.00 0.00 C ATOM 174 O ILE A 11 -9.287 0.120 1.684 1.00 0.00 O ATOM 175 CB ILE A 11 -8.062 0.939 -0.792 1.00 0.00 C ATOM 176 CG1 ILE A 11 -9.363 0.296 -1.274 1.00 0.00 C ATOM 177 CG2 ILE A 11 -7.120 1.268 -1.953 1.00 0.00 C ATOM 178 CD1 ILE A 11 -9.111 -0.615 -2.478 1.00 0.00 C ATOM 0 H ILE A 11 -8.129 -1.758 -0.469 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.379 0.498 0.395 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.328 1.883 -0.315 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.810 -0.281 -0.464 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.078 1.073 -1.544 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.640 1.896 -2.677 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.247 1.798 -1.574 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.802 0.344 -2.436 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.052 -1.060 -2.801 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.687 -0.030 -3.294 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.414 -1.405 -2.197 1.00 0.00 H new ATOM 190 N VAL A 12 -7.250 -0.052 2.651 1.00 0.00 N ATOM 191 CA VAL A 12 -7.772 -0.076 4.006 1.00 0.00 C ATOM 192 C VAL A 12 -7.103 1.028 4.826 1.00 0.00 C ATOM 193 O VAL A 12 -5.891 1.223 4.739 1.00 0.00 O ATOM 194 CB VAL A 12 -7.587 -1.468 4.614 1.00 0.00 C ATOM 195 CG1 VAL A 12 -6.134 -1.692 5.039 1.00 0.00 C ATOM 196 CG2 VAL A 12 -8.541 -1.685 5.790 1.00 0.00 C ATOM 0 H VAL A 12 -6.234 -0.114 2.584 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.844 0.124 4.005 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.829 -2.203 3.846 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.030 -2.689 5.468 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.483 -1.601 4.170 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.853 -0.946 5.782 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.388 -2.682 6.203 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.345 -0.939 6.560 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.571 -1.589 5.446 1.00 0.00 H new ATOM 206 N ASP A 13 -7.921 1.722 5.604 1.00 0.00 N ATOM 207 CA ASP A 13 -7.423 2.802 6.439 1.00 0.00 C ATOM 208 C ASP A 13 -8.231 2.852 7.738 1.00 0.00 C ATOM 209 O ASP A 13 -9.237 2.157 7.873 1.00 0.00 O ATOM 210 CB ASP A 13 -7.573 4.154 5.737 1.00 0.00 C ATOM 211 CG ASP A 13 -7.014 4.210 4.314 1.00 0.00 C ATOM 212 OD1 ASP A 13 -7.305 3.263 3.553 1.00 0.00 O ATOM 213 OD2 ASP A 13 -6.309 5.200 4.021 1.00 0.00 O ATOM 0 H ASP A 13 -8.925 1.557 5.674 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.368 2.614 6.640 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.631 4.415 5.706 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.074 4.915 6.337 1.00 0.00 H new ATOM 218 N ASP A 14 -7.758 3.678 8.659 1.00 0.00 N ATOM 219 CA ASP A 14 -8.423 3.826 9.942 1.00 0.00 C ATOM 220 C ASP A 14 -9.661 4.710 9.771 1.00 0.00 C ATOM 221 O ASP A 14 -10.469 4.838 10.690 1.00 0.00 O ATOM 222 CB ASP A 14 -7.504 4.493 10.967 1.00 0.00 C ATOM 223 CG ASP A 14 -7.691 4.020 12.410 1.00 0.00 C ATOM 224 OD1 ASP A 14 -8.602 4.564 13.070 1.00 0.00 O ATOM 225 OD2 ASP A 14 -6.920 3.127 12.819 1.00 0.00 O ATOM 0 H ASP A 14 -6.923 4.251 8.542 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.695 2.832 10.296 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.469 4.316 10.674 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.666 5.570 10.930 1.00 0.00 H new ATOM 230 N GLN A 15 -9.770 5.298 8.589 1.00 0.00 N ATOM 231 CA GLN A 15 -10.894 6.167 8.285 1.00 0.00 C ATOM 232 C GLN A 15 -11.172 6.170 6.781 1.00 0.00 C ATOM 233 O GLN A 15 -10.245 6.244 5.976 1.00 0.00 O ATOM 234 CB GLN A 15 -10.645 7.586 8.800 1.00 0.00 C ATOM 235 CG GLN A 15 -11.926 8.193 9.376 1.00 0.00 C ATOM 236 CD GLN A 15 -11.604 9.291 10.393 1.00 0.00 C ATOM 237 OE1 GLN A 15 -11.801 10.471 10.153 1.00 0.00 O ATOM 238 NE2 GLN A 15 -11.098 8.838 11.537 1.00 0.00 N ATOM 0 H GLN A 15 -9.098 5.190 7.830 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.776 5.780 8.796 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.870 7.568 9.567 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.275 8.212 7.988 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.532 8.606 8.569 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.520 7.413 9.853 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.959 7.837 11.672 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -10.849 9.492 12.279 1.00 0.00 H new ATOM 247 N VAL A 16 -12.452 6.089 6.448 1.00 0.00 N ATOM 248 CA VAL A 16 -12.863 6.081 5.055 1.00 0.00 C ATOM 249 C VAL A 16 -12.200 7.252 4.326 1.00 0.00 C ATOM 250 O VAL A 16 -11.570 7.064 3.286 1.00 0.00 O ATOM 251 CB VAL A 16 -14.389 6.104 4.959 1.00 0.00 C ATOM 252 CG1 VAL A 16 -14.958 4.684 4.924 1.00 0.00 C ATOM 253 CG2 VAL A 16 -14.999 6.911 6.108 1.00 0.00 C ATOM 0 H VAL A 16 -13.218 6.028 7.119 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.534 5.164 4.565 1.00 0.00 H new ATOM 0 HB VAL A 16 -14.658 6.596 4.024 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -16.045 4.729 4.856 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.562 4.154 4.058 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.673 4.155 5.834 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -16.085 6.911 6.016 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.716 6.461 7.059 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -14.631 7.936 6.068 1.00 0.00 H new ATOM 263 N THR A 17 -12.367 8.435 4.899 1.00 0.00 N ATOM 264 CA THR A 17 -11.793 9.636 4.317 1.00 0.00 C ATOM 265 C THR A 17 -10.397 9.344 3.762 1.00 0.00 C ATOM 266 O THR A 17 -10.118 9.626 2.596 1.00 0.00 O ATOM 267 CB THR A 17 -11.805 10.731 5.385 1.00 0.00 C ATOM 268 OG1 THR A 17 -11.291 10.087 6.549 1.00 0.00 O ATOM 269 CG2 THR A 17 -13.223 11.145 5.784 1.00 0.00 C ATOM 0 H THR A 17 -12.892 8.587 5.760 1.00 0.00 H new ATOM 0 HA THR A 17 -12.381 9.984 3.468 1.00 0.00 H new ATOM 0 HB THR A 17 -11.263 11.602 5.017 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.263 10.726 7.291 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.174 11.924 6.544 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.751 11.524 4.909 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.755 10.282 6.183 1.00 0.00 H new ATOM 277 N SER A 18 -9.557 8.785 4.621 1.00 0.00 N ATOM 278 CA SER A 18 -8.198 8.453 4.229 1.00 0.00 C ATOM 279 C SER A 18 -8.215 7.385 3.133 1.00 0.00 C ATOM 280 O SER A 18 -7.596 7.559 2.085 1.00 0.00 O ATOM 281 CB SER A 18 -7.383 7.968 5.430 1.00 0.00 C ATOM 282 OG SER A 18 -7.180 9.001 6.390 1.00 0.00 O ATOM 0 H SER A 18 -9.791 8.554 5.586 1.00 0.00 H new ATOM 0 HA SER A 18 -7.723 9.354 3.841 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.896 7.130 5.902 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.417 7.597 5.087 1.00 0.00 H new ATOM 0 HG SER A 18 -6.657 8.651 7.142 1.00 0.00 H new ATOM 288 N ARG A 19 -8.930 6.306 3.414 1.00 0.00 N ATOM 289 CA ARG A 19 -9.034 5.211 2.465 1.00 0.00 C ATOM 290 C ARG A 19 -9.757 5.674 1.197 1.00 0.00 C ATOM 291 O ARG A 19 -9.137 5.829 0.146 1.00 0.00 O ATOM 292 CB ARG A 19 -9.791 4.027 3.070 1.00 0.00 C ATOM 293 CG ARG A 19 -9.603 2.766 2.225 1.00 0.00 C ATOM 294 CD ARG A 19 -10.580 2.746 1.047 1.00 0.00 C ATOM 295 NE ARG A 19 -11.967 2.611 1.542 1.00 0.00 N ATOM 296 CZ ARG A 19 -12.953 2.010 0.861 1.00 0.00 C ATOM 297 NH1 ARG A 19 -12.709 1.484 -0.348 1.00 0.00 N ATOM 298 NH2 ARG A 19 -14.182 1.934 1.389 1.00 0.00 N ATOM 0 H ARG A 19 -9.443 6.167 4.285 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.022 4.892 2.216 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.437 3.845 4.085 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.852 4.267 3.140 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.579 2.722 1.854 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.756 1.882 2.844 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.480 3.663 0.466 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.341 1.918 0.380 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.187 3.000 2.459 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.773 1.541 -0.750 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.459 1.027 -0.866 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.367 2.333 2.309 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.932 1.477 0.871 1.00 0.00 H new ATOM 312 N LEU A 20 -11.058 5.884 1.340 1.00 0.00 N ATOM 313 CA LEU A 20 -11.871 6.326 0.220 1.00 0.00 C ATOM 314 C LEU A 20 -11.082 7.341 -0.609 1.00 0.00 C ATOM 315 O LEU A 20 -11.251 7.421 -1.824 1.00 0.00 O ATOM 316 CB LEU A 20 -13.221 6.850 0.713 1.00 0.00 C ATOM 317 CG LEU A 20 -13.526 8.317 0.399 1.00 0.00 C ATOM 318 CD1 LEU A 20 -14.926 8.701 0.881 1.00 0.00 C ATOM 319 CD2 LEU A 20 -12.449 9.237 0.975 1.00 0.00 C ATOM 0 H LEU A 20 -11.568 5.756 2.214 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.101 5.488 -0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.008 6.235 0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -13.269 6.712 1.793 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.512 8.444 -0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -15.117 9.748 0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.667 8.076 0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.993 8.553 1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.690 10.273 0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.406 9.113 2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.482 8.981 0.542 1.00 0.00 H new ATOM 331 N LEU A 21 -10.236 8.092 0.083 1.00 0.00 N ATOM 332 CA LEU A 21 -9.422 9.099 -0.574 1.00 0.00 C ATOM 333 C LEU A 21 -8.415 8.412 -1.499 1.00 0.00 C ATOM 334 O LEU A 21 -8.321 8.749 -2.678 1.00 0.00 O ATOM 335 CB LEU A 21 -8.773 10.023 0.462 1.00 0.00 C ATOM 336 CG LEU A 21 -9.587 11.254 0.864 1.00 0.00 C ATOM 337 CD1 LEU A 21 -9.091 11.830 2.192 1.00 0.00 C ATOM 338 CD2 LEU A 21 -9.583 12.302 -0.252 1.00 0.00 C ATOM 0 H LEU A 21 -10.098 8.022 1.091 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.043 9.742 -1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.565 9.441 1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.813 10.359 0.070 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.622 10.945 1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.687 12.704 2.455 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.188 11.077 2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.045 12.120 2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.169 13.167 0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.558 12.612 -0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.019 11.874 -1.155 1.00 0.00 H new ATOM 350 N LEU A 22 -7.690 7.461 -0.929 1.00 0.00 N ATOM 351 CA LEU A 22 -6.695 6.723 -1.688 1.00 0.00 C ATOM 352 C LEU A 22 -7.400 5.805 -2.688 1.00 0.00 C ATOM 353 O LEU A 22 -7.011 5.735 -3.853 1.00 0.00 O ATOM 354 CB LEU A 22 -5.740 5.986 -0.746 1.00 0.00 C ATOM 355 CG LEU A 22 -6.393 5.053 0.275 1.00 0.00 C ATOM 356 CD1 LEU A 22 -6.965 3.808 -0.406 1.00 0.00 C ATOM 357 CD2 LEU A 22 -5.413 4.694 1.394 1.00 0.00 C ATOM 0 H LEU A 22 -7.772 7.185 0.049 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.073 7.407 -2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.045 5.402 -1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.150 6.727 -0.206 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.229 5.581 0.734 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.423 3.162 0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.717 4.106 -1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.163 3.268 -0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.902 4.030 2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.543 4.193 0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.095 5.603 1.905 1.00 0.00 H new ATOM 369 N GLY A 23 -8.426 5.124 -2.198 1.00 0.00 N ATOM 370 CA GLY A 23 -9.189 4.214 -3.035 1.00 0.00 C ATOM 371 C GLY A 23 -9.739 4.934 -4.268 1.00 0.00 C ATOM 372 O GLY A 23 -9.882 4.331 -5.330 1.00 0.00 O ATOM 0 H GLY A 23 -8.747 5.184 -1.232 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.556 3.383 -3.347 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.012 3.789 -2.460 1.00 0.00 H new ATOM 376 N ASP A 24 -10.032 6.213 -4.085 1.00 0.00 N ATOM 377 CA ASP A 24 -10.563 7.021 -5.170 1.00 0.00 C ATOM 378 C ASP A 24 -9.431 7.376 -6.137 1.00 0.00 C ATOM 379 O ASP A 24 -9.582 7.244 -7.350 1.00 0.00 O ATOM 380 CB ASP A 24 -11.161 8.327 -4.643 1.00 0.00 C ATOM 381 CG ASP A 24 -12.674 8.301 -4.417 1.00 0.00 C ATOM 382 OD1 ASP A 24 -13.366 7.728 -5.286 1.00 0.00 O ATOM 383 OD2 ASP A 24 -13.103 8.855 -3.381 1.00 0.00 O ATOM 0 H ASP A 24 -9.912 6.710 -3.202 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.341 6.444 -5.670 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.673 8.579 -3.702 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.928 9.126 -5.347 1.00 0.00 H new ATOM 388 N ALA A 25 -8.323 7.821 -5.563 1.00 0.00 N ATOM 389 CA ALA A 25 -7.166 8.196 -6.358 1.00 0.00 C ATOM 390 C ALA A 25 -6.583 6.947 -7.022 1.00 0.00 C ATOM 391 O ALA A 25 -6.302 6.951 -8.220 1.00 0.00 O ATOM 392 CB ALA A 25 -6.147 8.915 -5.471 1.00 0.00 C ATOM 0 H ALA A 25 -8.202 7.930 -4.556 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.453 8.888 -7.150 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.279 9.196 -6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.601 9.811 -5.047 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.834 8.251 -4.665 1.00 0.00 H new ATOM 398 N LEU A 26 -6.418 5.909 -6.217 1.00 0.00 N ATOM 399 CA LEU A 26 -5.874 4.657 -6.711 1.00 0.00 C ATOM 400 C LEU A 26 -6.722 4.165 -7.886 1.00 0.00 C ATOM 401 O LEU A 26 -6.196 3.892 -8.964 1.00 0.00 O ATOM 402 CB LEU A 26 -5.750 3.640 -5.575 1.00 0.00 C ATOM 403 CG LEU A 26 -4.488 3.743 -4.716 1.00 0.00 C ATOM 404 CD1 LEU A 26 -3.252 3.987 -5.584 1.00 0.00 C ATOM 405 CD2 LEU A 26 -4.647 4.813 -3.633 1.00 0.00 C ATOM 0 H LEU A 26 -6.652 5.910 -5.224 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.862 4.805 -7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.618 3.745 -4.924 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.793 2.639 -6.004 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.342 2.789 -4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.369 4.056 -4.949 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.131 3.161 -6.285 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.374 4.918 -6.138 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.736 4.866 -3.037 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.831 5.780 -4.101 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.488 4.556 -2.989 1.00 0.00 H new ATOM 417 N GLN A 27 -8.020 4.067 -7.637 1.00 0.00 N ATOM 418 CA GLN A 27 -8.946 3.614 -8.661 1.00 0.00 C ATOM 419 C GLN A 27 -8.871 4.527 -9.886 1.00 0.00 C ATOM 420 O GLN A 27 -9.049 4.073 -11.015 1.00 0.00 O ATOM 421 CB GLN A 27 -10.373 3.542 -8.116 1.00 0.00 C ATOM 422 CG GLN A 27 -10.973 4.942 -7.966 1.00 0.00 C ATOM 423 CD GLN A 27 -12.498 4.875 -7.855 1.00 0.00 C ATOM 424 OE1 GLN A 27 -13.115 3.838 -8.036 1.00 0.00 O ATOM 425 NE2 GLN A 27 -13.070 6.036 -7.550 1.00 0.00 N ATOM 0 H GLN A 27 -8.452 4.294 -6.741 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.658 2.608 -8.965 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.993 2.947 -8.786 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.372 3.037 -7.150 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.561 5.425 -7.080 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.694 5.555 -8.823 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.495 6.867 -7.411 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.084 6.096 -7.455 1.00 0.00 H new ATOM 434 N GLN A 28 -8.610 5.800 -9.621 1.00 0.00 N ATOM 435 CA GLN A 28 -8.510 6.781 -10.689 1.00 0.00 C ATOM 436 C GLN A 28 -7.170 6.642 -11.414 1.00 0.00 C ATOM 437 O GLN A 28 -6.977 7.217 -12.484 1.00 0.00 O ATOM 438 CB GLN A 28 -8.696 8.199 -10.147 1.00 0.00 C ATOM 439 CG GLN A 28 -9.159 9.151 -11.251 1.00 0.00 C ATOM 440 CD GLN A 28 -8.258 10.385 -11.326 1.00 0.00 C ATOM 441 OE1 GLN A 28 -8.052 11.095 -10.354 1.00 0.00 O ATOM 442 NE2 GLN A 28 -7.735 10.601 -12.529 1.00 0.00 N ATOM 0 H GLN A 28 -8.465 6.174 -8.683 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.309 6.593 -11.406 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.427 8.190 -9.339 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -7.757 8.556 -9.724 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -9.152 8.632 -12.210 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.188 9.459 -11.063 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.949 9.967 -13.299 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.120 11.400 -12.682 1.00 0.00 H new ATOM 451 N LEU A 29 -6.279 5.874 -10.803 1.00 0.00 N ATOM 452 CA LEU A 29 -4.964 5.652 -11.378 1.00 0.00 C ATOM 453 C LEU A 29 -5.061 4.579 -12.463 1.00 0.00 C ATOM 454 O LEU A 29 -4.567 4.768 -13.575 1.00 0.00 O ATOM 455 CB LEU A 29 -3.947 5.328 -10.281 1.00 0.00 C ATOM 456 CG LEU A 29 -3.619 3.845 -10.087 1.00 0.00 C ATOM 457 CD1 LEU A 29 -2.664 3.350 -11.175 1.00 0.00 C ATOM 458 CD2 LEU A 29 -3.074 3.583 -8.683 1.00 0.00 C ATOM 0 H LEU A 29 -6.443 5.398 -9.916 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.601 6.560 -11.859 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.021 5.858 -10.503 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.322 5.723 -9.337 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.543 3.274 -10.184 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.446 2.294 -11.015 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.127 3.481 -12.153 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.737 3.922 -11.133 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.849 2.522 -8.572 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.165 4.164 -8.531 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.819 3.875 -7.943 1.00 0.00 H new ATOM 470 N GLY A 30 -5.699 3.475 -12.104 1.00 0.00 N ATOM 471 CA GLY A 30 -5.867 2.371 -13.035 1.00 0.00 C ATOM 472 C GLY A 30 -5.577 1.032 -12.354 1.00 0.00 C ATOM 473 O GLY A 30 -4.800 0.228 -12.865 1.00 0.00 O ATOM 0 H GLY A 30 -6.106 3.321 -11.182 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.884 2.372 -13.426 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.199 2.503 -13.886 1.00 0.00 H new ATOM 477 N PHE A 31 -6.218 0.835 -11.211 1.00 0.00 N ATOM 478 CA PHE A 31 -6.040 -0.393 -10.455 1.00 0.00 C ATOM 479 C PHE A 31 -6.813 -1.549 -11.095 1.00 0.00 C ATOM 480 O PHE A 31 -7.757 -1.325 -11.851 1.00 0.00 O ATOM 481 CB PHE A 31 -6.594 -0.140 -9.053 1.00 0.00 C ATOM 482 CG PHE A 31 -5.530 0.248 -8.023 1.00 0.00 C ATOM 483 CD1 PHE A 31 -4.282 0.598 -8.434 1.00 0.00 C ATOM 484 CD2 PHE A 31 -5.833 0.243 -6.698 1.00 0.00 C ATOM 485 CE1 PHE A 31 -3.294 0.958 -7.480 1.00 0.00 C ATOM 486 CE2 PHE A 31 -4.845 0.604 -5.742 1.00 0.00 C ATOM 487 CZ PHE A 31 -3.597 0.953 -6.154 1.00 0.00 C ATOM 0 H PHE A 31 -6.861 1.505 -10.790 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.985 -0.665 -10.432 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.340 0.653 -9.106 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.107 -1.038 -8.709 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.042 0.602 -9.487 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.824 -0.035 -6.372 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.303 1.236 -7.807 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.085 0.601 -4.689 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.846 1.226 -5.428 1.00 0.00 H new ATOM 497 N LYS A 32 -6.383 -2.759 -10.768 1.00 0.00 N ATOM 498 CA LYS A 32 -7.022 -3.950 -11.301 1.00 0.00 C ATOM 499 C LYS A 32 -8.284 -4.252 -10.489 1.00 0.00 C ATOM 500 O LYS A 32 -9.393 -4.208 -11.020 1.00 0.00 O ATOM 501 CB LYS A 32 -6.031 -5.113 -11.352 1.00 0.00 C ATOM 502 CG LYS A 32 -6.114 -5.845 -12.694 1.00 0.00 C ATOM 503 CD LYS A 32 -5.235 -5.164 -13.745 1.00 0.00 C ATOM 504 CE LYS A 32 -5.399 -5.831 -15.112 1.00 0.00 C ATOM 505 NZ LYS A 32 -6.252 -5.004 -15.994 1.00 0.00 N ATOM 0 H LYS A 32 -5.600 -2.940 -10.140 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.336 -3.785 -12.332 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.018 -4.740 -11.199 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.240 -5.810 -10.540 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.799 -6.881 -12.567 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.148 -5.866 -13.038 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.499 -4.109 -13.817 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.191 -5.211 -13.436 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.422 -5.975 -15.572 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.842 -6.819 -14.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.353 -5.472 -16.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.190 -4.888 -15.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.813 -4.070 -16.125 1.00 0.00 H new ATOM 519 N GLN A 33 -8.072 -4.552 -9.217 1.00 0.00 N ATOM 520 CA GLN A 33 -9.178 -4.863 -8.327 1.00 0.00 C ATOM 521 C GLN A 33 -8.990 -4.160 -6.981 1.00 0.00 C ATOM 522 O GLN A 33 -8.081 -4.495 -6.223 1.00 0.00 O ATOM 523 CB GLN A 33 -9.325 -6.374 -8.140 1.00 0.00 C ATOM 524 CG GLN A 33 -10.622 -6.881 -8.771 1.00 0.00 C ATOM 525 CD GLN A 33 -10.332 -7.862 -9.909 1.00 0.00 C ATOM 526 OE1 GLN A 33 -9.467 -8.717 -9.819 1.00 0.00 O ATOM 527 NE2 GLN A 33 -11.102 -7.693 -10.980 1.00 0.00 N ATOM 0 H GLN A 33 -7.151 -4.587 -8.781 1.00 0.00 H new ATOM 0 HA GLN A 33 -10.098 -4.496 -8.782 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.474 -6.884 -8.591 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.315 -6.615 -7.077 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.233 -7.370 -8.012 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -11.199 -6.038 -9.151 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.808 -6.957 -10.989 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.987 -8.299 -11.792 1.00 0.00 H new ATOM 536 N ILE A 34 -9.863 -3.196 -6.725 1.00 0.00 N ATOM 537 CA ILE A 34 -9.805 -2.443 -5.484 1.00 0.00 C ATOM 538 C ILE A 34 -10.559 -3.206 -4.393 1.00 0.00 C ATOM 539 O ILE A 34 -11.684 -3.654 -4.609 1.00 0.00 O ATOM 540 CB ILE A 34 -10.312 -1.016 -5.699 1.00 0.00 C ATOM 541 CG1 ILE A 34 -9.145 -0.041 -5.876 1.00 0.00 C ATOM 542 CG2 ILE A 34 -11.249 -0.590 -4.567 1.00 0.00 C ATOM 543 CD1 ILE A 34 -9.587 1.398 -5.599 1.00 0.00 C ATOM 0 H ILE A 34 -10.615 -2.919 -7.357 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.773 -2.343 -5.148 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.892 -0.995 -6.621 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.334 -0.313 -5.201 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.754 -0.116 -6.891 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -11.595 0.428 -4.745 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -12.106 -1.263 -4.531 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.715 -0.631 -3.618 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.740 2.071 -5.732 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -10.382 1.674 -6.292 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.955 1.475 -4.576 1.00 0.00 H new ATOM 555 N THR A 35 -9.909 -3.331 -3.246 1.00 0.00 N ATOM 556 CA THR A 35 -10.505 -4.032 -2.121 1.00 0.00 C ATOM 557 C THR A 35 -10.251 -3.268 -0.820 1.00 0.00 C ATOM 558 O THR A 35 -9.108 -3.142 -0.384 1.00 0.00 O ATOM 559 CB THR A 35 -9.952 -5.458 -2.106 1.00 0.00 C ATOM 560 OG1 THR A 35 -11.094 -6.271 -1.855 1.00 0.00 O ATOM 561 CG2 THR A 35 -9.038 -5.719 -0.906 1.00 0.00 C ATOM 0 H THR A 35 -8.976 -2.959 -3.071 1.00 0.00 H new ATOM 0 HA THR A 35 -11.589 -4.089 -2.221 1.00 0.00 H new ATOM 0 HB THR A 35 -9.402 -5.643 -3.029 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.826 -7.213 -1.831 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.673 -6.745 -0.943 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.193 -5.032 -0.936 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.597 -5.566 0.017 1.00 0.00 H new ATOM 569 N ALA A 36 -11.335 -2.776 -0.238 1.00 0.00 N ATOM 570 CA ALA A 36 -11.244 -2.028 1.004 1.00 0.00 C ATOM 571 C ALA A 36 -11.565 -2.954 2.178 1.00 0.00 C ATOM 572 O ALA A 36 -12.294 -3.931 2.020 1.00 0.00 O ATOM 573 CB ALA A 36 -12.180 -0.819 0.941 1.00 0.00 C ATOM 0 H ALA A 36 -12.281 -2.881 -0.604 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.232 -1.650 1.151 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.112 -0.257 1.873 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.890 -0.178 0.109 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -13.205 -1.160 0.797 1.00 0.00 H new ATOM 579 N ALA A 37 -11.003 -2.615 3.329 1.00 0.00 N ATOM 580 CA ALA A 37 -11.220 -3.404 4.529 1.00 0.00 C ATOM 581 C ALA A 37 -11.431 -2.466 5.719 1.00 0.00 C ATOM 582 O ALA A 37 -11.437 -1.247 5.560 1.00 0.00 O ATOM 583 CB ALA A 37 -10.040 -4.354 4.736 1.00 0.00 C ATOM 0 H ALA A 37 -10.397 -1.804 3.456 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.116 -4.016 4.429 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.203 -4.946 5.637 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.952 -5.018 3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -9.122 -3.776 4.843 1.00 0.00 H new ATOM 589 N GLY A 38 -11.597 -3.071 6.887 1.00 0.00 N ATOM 590 CA GLY A 38 -11.807 -2.306 8.104 1.00 0.00 C ATOM 591 C GLY A 38 -10.613 -1.393 8.390 1.00 0.00 C ATOM 592 O GLY A 38 -10.770 -0.180 8.520 1.00 0.00 O ATOM 0 H GLY A 38 -11.590 -4.083 7.016 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.713 -1.707 8.010 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.959 -2.985 8.943 1.00 0.00 H new ATOM 596 N ASP A 39 -9.444 -2.012 8.480 1.00 0.00 N ATOM 597 CA ASP A 39 -8.224 -1.272 8.749 1.00 0.00 C ATOM 598 C ASP A 39 -7.053 -2.250 8.859 1.00 0.00 C ATOM 599 O ASP A 39 -7.255 -3.460 8.935 1.00 0.00 O ATOM 600 CB ASP A 39 -8.324 -0.505 10.069 1.00 0.00 C ATOM 601 CG ASP A 39 -9.355 -1.052 11.059 1.00 0.00 C ATOM 602 OD1 ASP A 39 -8.970 -1.947 11.843 1.00 0.00 O ATOM 603 OD2 ASP A 39 -10.505 -0.566 11.009 1.00 0.00 O ATOM 0 H ASP A 39 -9.317 -3.018 8.371 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.071 -0.566 7.932 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.345 -0.508 10.548 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.569 0.534 9.850 1.00 0.00 H new ATOM 608 N GLY A 40 -5.853 -1.688 8.863 1.00 0.00 N ATOM 609 CA GLY A 40 -4.649 -2.495 8.963 1.00 0.00 C ATOM 610 C GLY A 40 -4.939 -3.958 8.621 1.00 0.00 C ATOM 611 O GLY A 40 -5.223 -4.286 7.470 1.00 0.00 O ATOM 0 H GLY A 40 -5.689 -0.683 8.799 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.888 -2.104 8.288 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.244 -2.427 9.973 1.00 0.00 H new ATOM 615 N GLU A 41 -4.859 -4.798 9.642 1.00 0.00 N ATOM 616 CA GLU A 41 -5.110 -6.218 9.464 1.00 0.00 C ATOM 617 C GLU A 41 -6.445 -6.436 8.750 1.00 0.00 C ATOM 618 O GLU A 41 -6.505 -7.133 7.738 1.00 0.00 O ATOM 619 CB GLU A 41 -5.081 -6.953 10.807 1.00 0.00 C ATOM 620 CG GLU A 41 -6.381 -6.729 11.582 1.00 0.00 C ATOM 621 CD GLU A 41 -6.357 -7.474 12.918 1.00 0.00 C ATOM 622 OE1 GLU A 41 -5.366 -8.202 13.144 1.00 0.00 O ATOM 623 OE2 GLU A 41 -7.330 -7.298 13.683 1.00 0.00 O ATOM 0 H GLU A 41 -4.624 -4.523 10.596 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.316 -6.632 8.843 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.933 -8.020 10.639 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.235 -6.603 11.399 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.525 -5.663 11.758 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.227 -7.070 10.986 1.00 0.00 H new ATOM 630 N GLN A 42 -7.483 -5.827 9.304 1.00 0.00 N ATOM 631 CA GLN A 42 -8.813 -5.945 8.732 1.00 0.00 C ATOM 632 C GLN A 42 -8.736 -5.940 7.204 1.00 0.00 C ATOM 633 O GLN A 42 -9.583 -6.531 6.534 1.00 0.00 O ATOM 634 CB GLN A 42 -9.729 -4.829 9.238 1.00 0.00 C ATOM 635 CG GLN A 42 -10.751 -5.370 10.239 1.00 0.00 C ATOM 636 CD GLN A 42 -12.076 -5.697 9.548 1.00 0.00 C ATOM 637 OE1 GLN A 42 -12.125 -6.078 8.390 1.00 0.00 O ATOM 638 NE2 GLN A 42 -13.146 -5.526 10.319 1.00 0.00 N ATOM 0 H GLN A 42 -7.430 -5.250 10.143 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.241 -6.895 9.052 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.131 -4.049 9.709 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.247 -4.369 8.396 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -10.356 -6.266 10.719 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -10.919 -4.635 11.026 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.036 -5.204 11.281 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -14.077 -5.716 9.949 1.00 0.00 H new ATOM 647 N GLY A 43 -7.714 -5.267 6.696 1.00 0.00 N ATOM 648 CA GLY A 43 -7.516 -5.178 5.260 1.00 0.00 C ATOM 649 C GLY A 43 -6.310 -6.010 4.821 1.00 0.00 C ATOM 650 O GLY A 43 -6.381 -6.739 3.832 1.00 0.00 O ATOM 0 H GLY A 43 -7.014 -4.778 7.254 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.410 -5.527 4.744 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.368 -4.137 4.973 1.00 0.00 H new ATOM 654 N MET A 44 -5.230 -5.873 5.576 1.00 0.00 N ATOM 655 CA MET A 44 -4.009 -6.602 5.277 1.00 0.00 C ATOM 656 C MET A 44 -4.273 -8.108 5.210 1.00 0.00 C ATOM 657 O MET A 44 -3.891 -8.767 4.245 1.00 0.00 O ATOM 658 CB MET A 44 -2.964 -6.314 6.356 1.00 0.00 C ATOM 659 CG MET A 44 -2.139 -7.565 6.668 1.00 0.00 C ATOM 660 SD MET A 44 -1.322 -8.142 5.190 1.00 0.00 S ATOM 661 CE MET A 44 -0.433 -9.541 5.853 1.00 0.00 C ATOM 0 H MET A 44 -5.175 -5.267 6.395 1.00 0.00 H new ATOM 0 HA MET A 44 -3.640 -6.273 4.306 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.304 -5.512 6.024 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.459 -5.965 7.262 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.400 -7.341 7.438 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.786 -8.347 7.065 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.628 -9.440 5.623 1.00 0.00 H new ATOM 0 HE2 MET A 44 -0.568 -9.579 6.934 1.00 0.00 H new ATOM 0 HE3 MET A 44 -0.815 -10.459 5.407 1.00 0.00 H new ATOM 671 N LYS A 45 -4.926 -8.608 6.249 1.00 0.00 N ATOM 672 CA LYS A 45 -5.245 -10.025 6.321 1.00 0.00 C ATOM 673 C LYS A 45 -6.056 -10.423 5.085 1.00 0.00 C ATOM 674 O LYS A 45 -5.905 -11.531 4.571 1.00 0.00 O ATOM 675 CB LYS A 45 -5.942 -10.350 7.643 1.00 0.00 C ATOM 676 CG LYS A 45 -5.280 -9.611 8.808 1.00 0.00 C ATOM 677 CD LYS A 45 -5.108 -10.534 10.017 1.00 0.00 C ATOM 678 CE LYS A 45 -6.448 -10.779 10.713 1.00 0.00 C ATOM 679 NZ LYS A 45 -6.242 -11.483 11.999 1.00 0.00 N ATOM 0 H LYS A 45 -5.243 -8.058 7.048 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.333 -10.622 6.312 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.994 -10.071 7.582 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.907 -11.425 7.822 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.308 -9.230 8.496 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.886 -8.749 9.087 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.681 -11.484 9.696 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.404 -10.090 10.721 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.953 -9.829 10.888 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.097 -11.371 10.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.161 -11.642 12.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.780 -12.398 11.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.640 -10.904 12.619 1.00 0.00 H new ATOM 693 N ILE A 46 -6.896 -9.498 4.644 1.00 0.00 N ATOM 694 CA ILE A 46 -7.729 -9.739 3.478 1.00 0.00 C ATOM 695 C ILE A 46 -6.837 -10.019 2.267 1.00 0.00 C ATOM 696 O ILE A 46 -7.098 -10.942 1.498 1.00 0.00 O ATOM 697 CB ILE A 46 -8.705 -8.580 3.269 1.00 0.00 C ATOM 698 CG1 ILE A 46 -10.044 -8.861 3.954 1.00 0.00 C ATOM 699 CG2 ILE A 46 -8.876 -8.271 1.780 1.00 0.00 C ATOM 700 CD1 ILE A 46 -9.833 -9.472 5.341 1.00 0.00 C ATOM 0 H ILE A 46 -7.018 -8.581 5.073 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.348 -10.624 3.628 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.285 -7.690 3.737 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.612 -7.935 4.043 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.635 -9.540 3.340 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.575 -7.443 1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.912 -7.998 1.352 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.264 -9.152 1.268 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -10.800 -9.662 5.806 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -9.286 -10.410 5.246 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -9.262 -8.780 5.960 1.00 0.00 H new ATOM 712 N MET A 47 -5.800 -9.204 2.137 1.00 0.00 N ATOM 713 CA MET A 47 -4.866 -9.352 1.033 1.00 0.00 C ATOM 714 C MET A 47 -4.099 -10.671 1.136 1.00 0.00 C ATOM 715 O MET A 47 -3.763 -11.279 0.120 1.00 0.00 O ATOM 716 CB MET A 47 -3.878 -8.184 1.039 1.00 0.00 C ATOM 717 CG MET A 47 -4.461 -6.968 0.316 1.00 0.00 C ATOM 718 SD MET A 47 -3.400 -6.498 -1.041 1.00 0.00 S ATOM 719 CE MET A 47 -4.612 -6.349 -2.343 1.00 0.00 C ATOM 0 H MET A 47 -5.586 -8.439 2.777 1.00 0.00 H new ATOM 0 HA MET A 47 -5.432 -9.355 0.102 1.00 0.00 H new ATOM 0 HB2 MET A 47 -3.632 -7.917 2.067 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.949 -8.487 0.557 1.00 0.00 H new ATOM 0 HG2 MET A 47 -5.459 -7.199 -0.055 1.00 0.00 H new ATOM 0 HG3 MET A 47 -4.565 -6.136 1.012 1.00 0.00 H new ATOM 0 HE1 MET A 47 -4.177 -5.812 -3.186 1.00 0.00 H new ATOM 0 HE2 MET A 47 -4.922 -7.343 -2.667 1.00 0.00 H new ATOM 0 HE3 MET A 47 -5.479 -5.802 -1.972 1.00 0.00 H new ATOM 729 N ALA A 48 -3.844 -11.075 2.371 1.00 0.00 N ATOM 730 CA ALA A 48 -3.122 -12.312 2.621 1.00 0.00 C ATOM 731 C ALA A 48 -3.938 -13.490 2.083 1.00 0.00 C ATOM 732 O ALA A 48 -3.410 -14.340 1.367 1.00 0.00 O ATOM 733 CB ALA A 48 -2.829 -12.439 4.117 1.00 0.00 C ATOM 0 H ALA A 48 -4.124 -10.568 3.210 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.164 -12.310 2.101 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.288 -13.366 4.304 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.223 -11.593 4.442 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.767 -12.448 4.672 1.00 0.00 H new ATOM 739 N GLN A 49 -5.211 -13.503 2.449 1.00 0.00 N ATOM 740 CA GLN A 49 -6.104 -14.564 2.014 1.00 0.00 C ATOM 741 C GLN A 49 -6.262 -14.531 0.491 1.00 0.00 C ATOM 742 O GLN A 49 -5.868 -15.471 -0.197 1.00 0.00 O ATOM 743 CB GLN A 49 -7.463 -14.456 2.709 1.00 0.00 C ATOM 744 CG GLN A 49 -7.293 -14.275 4.218 1.00 0.00 C ATOM 745 CD GLN A 49 -7.652 -15.560 4.968 1.00 0.00 C ATOM 746 OE1 GLN A 49 -8.808 -15.867 5.208 1.00 0.00 O ATOM 747 NE2 GLN A 49 -6.599 -16.291 5.323 1.00 0.00 N ATOM 0 H GLN A 49 -5.646 -12.796 3.042 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.665 -15.521 2.295 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.020 -13.614 2.298 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.050 -15.353 2.510 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.263 -13.995 4.441 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.927 -13.459 4.564 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.657 -15.975 5.090 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.733 -17.167 5.828 1.00 0.00 H new ATOM 756 N ASN A 50 -6.840 -13.440 0.012 1.00 0.00 N ATOM 757 CA ASN A 50 -7.055 -13.274 -1.415 1.00 0.00 C ATOM 758 C ASN A 50 -5.744 -12.844 -2.078 1.00 0.00 C ATOM 759 O ASN A 50 -4.706 -12.774 -1.421 1.00 0.00 O ATOM 760 CB ASN A 50 -8.100 -12.191 -1.692 1.00 0.00 C ATOM 761 CG ASN A 50 -8.959 -11.928 -0.454 1.00 0.00 C ATOM 762 OD1 ASN A 50 -9.182 -12.797 0.374 1.00 0.00 O ATOM 763 ND2 ASN A 50 -9.428 -10.687 -0.373 1.00 0.00 N ATOM 0 H ASN A 50 -7.166 -12.663 0.586 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.405 -14.225 -1.816 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.603 -11.270 -1.996 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.736 -12.499 -2.522 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.013 -10.413 0.417 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.203 -10.008 -1.101 1.00 0.00 H new ATOM 770 N PRO A 51 -5.836 -12.562 -3.405 1.00 0.00 N ATOM 771 CA PRO A 51 -4.670 -12.143 -4.164 1.00 0.00 C ATOM 772 C PRO A 51 -4.302 -10.692 -3.846 1.00 0.00 C ATOM 773 O PRO A 51 -5.180 -9.844 -3.691 1.00 0.00 O ATOM 774 CB PRO A 51 -5.052 -12.353 -5.620 1.00 0.00 C ATOM 775 CG PRO A 51 -6.570 -12.440 -5.645 1.00 0.00 C ATOM 776 CD PRO A 51 -7.049 -12.635 -4.215 1.00 0.00 C ATOM 0 HA PRO A 51 -3.777 -12.716 -3.914 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.698 -11.529 -6.239 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.602 -13.264 -6.014 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.998 -11.532 -6.070 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -6.895 -13.270 -6.273 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.764 -11.864 -3.928 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.550 -13.595 -4.093 1.00 0.00 H new ATOM 784 N HIS A 52 -3.003 -10.451 -3.757 1.00 0.00 N ATOM 785 CA HIS A 52 -2.508 -9.118 -3.460 1.00 0.00 C ATOM 786 C HIS A 52 -1.353 -8.777 -4.404 1.00 0.00 C ATOM 787 O HIS A 52 -0.594 -9.658 -4.806 1.00 0.00 O ATOM 788 CB HIS A 52 -2.121 -8.998 -1.984 1.00 0.00 C ATOM 789 CG HIS A 52 -1.317 -10.164 -1.462 1.00 0.00 C ATOM 790 ND1 HIS A 52 -1.750 -11.476 -1.557 1.00 0.00 N ATOM 791 CD2 HIS A 52 -0.102 -10.203 -0.843 1.00 0.00 C ATOM 792 CE1 HIS A 52 -0.830 -12.259 -1.014 1.00 0.00 C ATOM 793 NE2 HIS A 52 0.190 -11.469 -0.572 1.00 0.00 N ATOM 0 H HIS A 52 -2.278 -11.157 -3.885 1.00 0.00 H new ATOM 0 HA HIS A 52 -3.299 -8.387 -3.629 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.547 -8.082 -1.843 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -3.028 -8.900 -1.388 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -2.628 -11.786 -1.974 1.00 0.00 H new ATOM 0 HD2 HIS A 52 0.517 -9.349 -0.613 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.879 -13.335 -0.935 1.00 0.00 H new ATOM 802 N HIS A 53 -1.257 -7.497 -4.731 1.00 0.00 N ATOM 803 CA HIS A 53 -0.208 -7.029 -5.621 1.00 0.00 C ATOM 804 C HIS A 53 0.291 -5.660 -5.151 1.00 0.00 C ATOM 805 O HIS A 53 1.487 -5.380 -5.205 1.00 0.00 O ATOM 806 CB HIS A 53 -0.692 -7.016 -7.072 1.00 0.00 C ATOM 807 CG HIS A 53 0.421 -7.100 -8.091 1.00 0.00 C ATOM 808 ND1 HIS A 53 0.572 -6.178 -9.113 1.00 0.00 N ATOM 809 CD2 HIS A 53 1.433 -8.002 -8.234 1.00 0.00 C ATOM 810 CE1 HIS A 53 1.630 -6.522 -9.832 1.00 0.00 C ATOM 811 NE2 HIS A 53 2.162 -7.653 -9.286 1.00 0.00 N ATOM 0 H HIS A 53 -1.888 -6.769 -4.396 1.00 0.00 H new ATOM 0 HA HIS A 53 0.637 -7.717 -5.586 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.374 -7.852 -7.224 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -1.262 -6.104 -7.246 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.611 -8.857 -7.598 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.006 -5.999 -10.699 1.00 0.00 H new ATOM 0 HE2 HIS A 53 2.985 -8.149 -9.630 1.00 0.00 H new ATOM 820 N LEU A 54 -0.651 -4.846 -4.700 1.00 0.00 N ATOM 821 CA LEU A 54 -0.323 -3.514 -4.222 1.00 0.00 C ATOM 822 C LEU A 54 -1.249 -3.151 -3.059 1.00 0.00 C ATOM 823 O LEU A 54 -2.461 -3.041 -3.237 1.00 0.00 O ATOM 824 CB LEU A 54 -0.359 -2.506 -5.373 1.00 0.00 C ATOM 825 CG LEU A 54 0.148 -1.099 -5.048 1.00 0.00 C ATOM 826 CD1 LEU A 54 1.451 -0.801 -5.792 1.00 0.00 C ATOM 827 CD2 LEU A 54 -0.929 -0.050 -5.333 1.00 0.00 C ATOM 0 H LEU A 54 -1.642 -5.083 -4.655 1.00 0.00 H new ATOM 0 HA LEU A 54 0.697 -3.489 -3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.234 -2.903 -6.197 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.386 -2.427 -5.729 1.00 0.00 H new ATOM 0 HG LEU A 54 0.369 -1.052 -3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.790 0.205 -5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.212 -1.524 -5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.281 -0.872 -6.866 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.544 0.941 -5.094 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.204 -0.088 -6.387 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.808 -0.255 -4.721 1.00 0.00 H new ATOM 839 N VAL A 55 -0.643 -2.978 -1.893 1.00 0.00 N ATOM 840 CA VAL A 55 -1.399 -2.631 -0.702 1.00 0.00 C ATOM 841 C VAL A 55 -1.356 -1.115 -0.499 1.00 0.00 C ATOM 842 O VAL A 55 -0.307 -0.492 -0.663 1.00 0.00 O ATOM 843 CB VAL A 55 -0.864 -3.410 0.502 1.00 0.00 C ATOM 844 CG1 VAL A 55 -1.161 -2.672 1.809 1.00 0.00 C ATOM 845 CG2 VAL A 55 -1.432 -4.830 0.533 1.00 0.00 C ATOM 0 H VAL A 55 0.362 -3.072 -1.748 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.445 -2.914 -0.818 1.00 0.00 H new ATOM 0 HB VAL A 55 0.218 -3.485 0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.770 -3.247 2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.686 -1.691 1.789 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.238 -2.551 1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.036 -5.362 1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.519 -4.786 0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.147 -5.356 -0.378 1.00 0.00 H new ATOM 855 N ILE A 56 -2.508 -0.564 -0.144 1.00 0.00 N ATOM 856 CA ILE A 56 -2.614 0.867 0.082 1.00 0.00 C ATOM 857 C ILE A 56 -3.477 1.120 1.320 1.00 0.00 C ATOM 858 O ILE A 56 -4.652 0.755 1.348 1.00 0.00 O ATOM 859 CB ILE A 56 -3.123 1.572 -1.177 1.00 0.00 C ATOM 860 CG1 ILE A 56 -4.241 0.767 -1.842 1.00 0.00 C ATOM 861 CG2 ILE A 56 -1.975 1.865 -2.143 1.00 0.00 C ATOM 862 CD1 ILE A 56 -3.685 -0.488 -2.520 1.00 0.00 C ATOM 0 H ILE A 56 -3.375 -1.083 -0.007 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.632 1.295 0.284 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.549 2.531 -0.883 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.983 0.483 -1.096 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.751 1.387 -2.579 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.364 2.366 -3.029 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.243 2.508 -1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.498 0.930 -2.435 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.501 -1.042 -2.985 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.961 -0.199 -3.282 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.197 -1.117 -1.776 1.00 0.00 H new ATOM 874 N SER A 57 -2.862 1.742 2.313 1.00 0.00 N ATOM 875 CA SER A 57 -3.559 2.049 3.552 1.00 0.00 C ATOM 876 C SER A 57 -3.097 3.403 4.092 1.00 0.00 C ATOM 877 O SER A 57 -2.312 4.098 3.447 1.00 0.00 O ATOM 878 CB SER A 57 -3.331 0.955 4.597 1.00 0.00 C ATOM 879 OG SER A 57 -3.525 1.436 5.924 1.00 0.00 O ATOM 0 H SER A 57 -1.888 2.043 2.286 1.00 0.00 H new ATOM 0 HA SER A 57 -4.627 2.096 3.340 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.013 0.126 4.409 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.318 0.564 4.497 1.00 0.00 H new ATOM 0 HG SER A 57 -4.473 1.364 6.163 1.00 0.00 H new ATOM 885 N ASP A 58 -3.602 3.739 5.269 1.00 0.00 N ATOM 886 CA ASP A 58 -3.251 4.999 5.904 1.00 0.00 C ATOM 887 C ASP A 58 -1.992 4.804 6.751 1.00 0.00 C ATOM 888 O ASP A 58 -1.537 3.677 6.944 1.00 0.00 O ATOM 889 CB ASP A 58 -4.372 5.482 6.826 1.00 0.00 C ATOM 890 CG ASP A 58 -4.711 4.537 7.980 1.00 0.00 C ATOM 891 OD1 ASP A 58 -4.076 3.463 8.041 1.00 0.00 O ATOM 892 OD2 ASP A 58 -5.601 4.911 8.776 1.00 0.00 O ATOM 0 H ASP A 58 -4.252 3.161 5.801 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.086 5.738 5.120 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.090 6.450 7.240 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.270 5.640 6.229 1.00 0.00 H new ATOM 897 N PHE A 59 -1.464 5.919 7.234 1.00 0.00 N ATOM 898 CA PHE A 59 -0.267 5.885 8.056 1.00 0.00 C ATOM 899 C PHE A 59 -0.612 5.577 9.515 1.00 0.00 C ATOM 900 O PHE A 59 0.271 5.259 10.311 1.00 0.00 O ATOM 901 CB PHE A 59 0.369 7.275 7.977 1.00 0.00 C ATOM 902 CG PHE A 59 1.702 7.307 7.228 1.00 0.00 C ATOM 903 CD1 PHE A 59 2.653 6.369 7.490 1.00 0.00 C ATOM 904 CD2 PHE A 59 1.939 8.274 6.302 1.00 0.00 C ATOM 905 CE1 PHE A 59 3.890 6.399 6.795 1.00 0.00 C ATOM 906 CE2 PHE A 59 3.177 8.303 5.606 1.00 0.00 C ATOM 907 CZ PHE A 59 4.127 7.365 5.867 1.00 0.00 C ATOM 0 H PHE A 59 -1.844 6.852 7.072 1.00 0.00 H new ATOM 0 HA PHE A 59 0.408 5.107 7.699 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.328 7.955 7.487 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.523 7.651 8.988 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.466 5.602 8.227 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.186 9.020 6.096 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.644 5.654 7.003 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.364 9.070 4.869 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.068 7.387 5.338 1.00 0.00 H new ATOM 917 N ASN A 60 -1.897 5.682 9.820 1.00 0.00 N ATOM 918 CA ASN A 60 -2.369 5.419 11.169 1.00 0.00 C ATOM 919 C ASN A 60 -1.652 4.187 11.724 1.00 0.00 C ATOM 920 O ASN A 60 -0.926 3.507 11.000 1.00 0.00 O ATOM 921 CB ASN A 60 -3.872 5.138 11.181 1.00 0.00 C ATOM 922 CG ASN A 60 -4.671 6.413 10.904 1.00 0.00 C ATOM 923 OD1 ASN A 60 -4.545 7.043 9.867 1.00 0.00 O ATOM 924 ND2 ASN A 60 -5.499 6.756 11.887 1.00 0.00 N ATOM 0 H ASN A 60 -2.626 5.945 9.157 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.163 6.300 11.777 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.111 4.385 10.430 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.161 4.727 12.148 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.077 7.591 11.798 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.556 6.183 12.729 1.00 0.00 H new ATOM 931 N MET A 61 -1.882 3.935 13.005 1.00 0.00 N ATOM 932 CA MET A 61 -1.268 2.796 13.665 1.00 0.00 C ATOM 933 C MET A 61 -2.303 1.710 13.963 1.00 0.00 C ATOM 934 O MET A 61 -2.614 1.445 15.124 1.00 0.00 O ATOM 935 CB MET A 61 -0.616 3.254 14.972 1.00 0.00 C ATOM 936 CG MET A 61 -1.675 3.622 16.012 1.00 0.00 C ATOM 937 SD MET A 61 -1.140 5.043 16.950 1.00 0.00 S ATOM 938 CE MET A 61 -2.700 5.891 17.145 1.00 0.00 C ATOM 0 H MET A 61 -2.485 4.500 13.603 1.00 0.00 H new ATOM 0 HA MET A 61 -0.513 2.378 12.999 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.022 2.461 15.362 1.00 0.00 H new ATOM 0 HB3 MET A 61 0.026 4.114 14.781 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.622 3.838 15.518 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.849 2.779 16.681 1.00 0.00 H new ATOM 0 HE1 MET A 61 -2.547 6.808 17.713 1.00 0.00 H new ATOM 0 HE2 MET A 61 -3.106 6.136 16.164 1.00 0.00 H new ATOM 0 HE3 MET A 61 -3.400 5.247 17.677 1.00 0.00 H new ATOM 948 N PRO A 62 -2.824 1.096 12.868 1.00 0.00 N ATOM 949 CA PRO A 62 -3.819 0.045 13.001 1.00 0.00 C ATOM 950 C PRO A 62 -3.177 -1.261 13.470 1.00 0.00 C ATOM 951 O PRO A 62 -2.087 -1.252 14.040 1.00 0.00 O ATOM 952 CB PRO A 62 -4.458 -0.067 11.626 1.00 0.00 C ATOM 953 CG PRO A 62 -3.488 0.592 10.660 1.00 0.00 C ATOM 954 CD PRO A 62 -2.481 1.384 11.478 1.00 0.00 C ATOM 0 HA PRO A 62 -4.570 0.270 13.758 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.628 -1.110 11.358 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.428 0.430 11.605 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.981 -0.160 10.055 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.021 1.248 9.972 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.459 1.079 11.251 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.550 2.451 11.266 1.00 0.00 H new ATOM 962 N LYS A 63 -3.881 -2.354 13.215 1.00 0.00 N ATOM 963 CA LYS A 63 -3.394 -3.666 13.605 1.00 0.00 C ATOM 964 C LYS A 63 -2.075 -3.952 12.883 1.00 0.00 C ATOM 965 O LYS A 63 -1.210 -4.643 13.415 1.00 0.00 O ATOM 966 CB LYS A 63 -4.468 -4.729 13.366 1.00 0.00 C ATOM 967 CG LYS A 63 -5.402 -4.846 14.573 1.00 0.00 C ATOM 968 CD LYS A 63 -5.055 -6.073 15.418 1.00 0.00 C ATOM 969 CE LYS A 63 -3.569 -6.418 15.300 1.00 0.00 C ATOM 970 NZ LYS A 63 -3.079 -7.031 16.555 1.00 0.00 N ATOM 0 H LYS A 63 -4.785 -2.358 12.743 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.185 -3.692 14.674 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.046 -4.474 12.478 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.995 -5.692 13.173 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.327 -3.946 15.184 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.435 -4.915 14.232 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.306 -5.883 16.462 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.656 -6.923 15.095 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.414 -7.105 14.468 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.996 -5.517 15.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.069 -7.259 16.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.210 -6.363 17.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.614 -7.902 16.748 1.00 0.00 H new ATOM 984 N MET A 64 -1.965 -3.403 11.681 1.00 0.00 N ATOM 985 CA MET A 64 -0.767 -3.590 10.881 1.00 0.00 C ATOM 986 C MET A 64 -0.522 -2.383 9.972 1.00 0.00 C ATOM 987 O MET A 64 -1.373 -2.035 9.154 1.00 0.00 O ATOM 988 CB MET A 64 -0.914 -4.851 10.028 1.00 0.00 C ATOM 989 CG MET A 64 -1.452 -6.016 10.861 1.00 0.00 C ATOM 990 SD MET A 64 -1.221 -7.553 9.982 1.00 0.00 S ATOM 991 CE MET A 64 0.118 -8.254 10.931 1.00 0.00 C ATOM 0 H MET A 64 -2.686 -2.829 11.243 1.00 0.00 H new ATOM 0 HA MET A 64 0.085 -3.694 11.553 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.588 -4.654 9.194 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.052 -5.120 9.601 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.937 -6.056 11.821 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.510 -5.864 11.073 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.390 -9.224 10.515 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.980 -7.588 10.892 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.197 -8.379 11.967 1.00 0.00 H new ATOM 1001 N ASP A 65 0.644 -1.780 10.145 1.00 0.00 N ATOM 1002 CA ASP A 65 1.012 -0.621 9.350 1.00 0.00 C ATOM 1003 C ASP A 65 2.337 -0.896 8.636 1.00 0.00 C ATOM 1004 O ASP A 65 2.992 -1.902 8.904 1.00 0.00 O ATOM 1005 CB ASP A 65 1.198 0.615 10.232 1.00 0.00 C ATOM 1006 CG ASP A 65 1.141 1.953 9.491 1.00 0.00 C ATOM 1007 OD1 ASP A 65 0.023 2.320 9.068 1.00 0.00 O ATOM 1008 OD2 ASP A 65 2.215 2.579 9.365 1.00 0.00 O ATOM 0 H ASP A 65 1.347 -2.072 10.824 1.00 0.00 H new ATOM 0 HA ASP A 65 0.212 -0.436 8.634 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.428 0.611 11.004 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.159 0.539 10.740 1.00 0.00 H new ATOM 1013 N GLY A 66 2.692 0.016 7.743 1.00 0.00 N ATOM 1014 CA GLY A 66 3.927 -0.117 6.989 1.00 0.00 C ATOM 1015 C GLY A 66 4.942 -0.976 7.745 1.00 0.00 C ATOM 1016 O GLY A 66 5.645 -1.787 7.145 1.00 0.00 O ATOM 0 H GLY A 66 2.146 0.850 7.525 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.718 -0.565 6.018 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.350 0.870 6.800 1.00 0.00 H new ATOM 1020 N LEU A 67 4.987 -0.768 9.053 1.00 0.00 N ATOM 1021 CA LEU A 67 5.905 -1.513 9.898 1.00 0.00 C ATOM 1022 C LEU A 67 5.405 -2.952 10.041 1.00 0.00 C ATOM 1023 O LEU A 67 6.068 -3.889 9.598 1.00 0.00 O ATOM 1024 CB LEU A 67 6.103 -0.797 11.236 1.00 0.00 C ATOM 1025 CG LEU A 67 6.619 0.642 11.155 1.00 0.00 C ATOM 1026 CD1 LEU A 67 7.990 0.695 10.480 1.00 0.00 C ATOM 1027 CD2 LEU A 67 5.603 1.551 10.462 1.00 0.00 C ATOM 0 H LEU A 67 4.403 -0.094 9.548 1.00 0.00 H new ATOM 0 HA LEU A 67 6.892 -1.561 9.438 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.151 -0.792 11.767 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.801 -1.379 11.838 1.00 0.00 H new ATOM 0 HG LEU A 67 6.745 1.017 12.171 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.334 1.728 10.435 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.701 0.101 11.054 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.914 0.294 9.469 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.995 2.567 10.418 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.421 1.188 9.450 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.669 1.546 11.023 1.00 0.00 H new ATOM 1039 N GLY A 68 4.241 -3.083 10.660 1.00 0.00 N ATOM 1040 CA GLY A 68 3.645 -4.392 10.865 1.00 0.00 C ATOM 1041 C GLY A 68 3.399 -5.098 9.531 1.00 0.00 C ATOM 1042 O GLY A 68 3.626 -6.301 9.410 1.00 0.00 O ATOM 0 H GLY A 68 3.694 -2.304 11.026 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.301 -5.001 11.487 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.703 -4.286 11.404 1.00 0.00 H new ATOM 1046 N LEU A 69 2.939 -4.321 8.562 1.00 0.00 N ATOM 1047 CA LEU A 69 2.659 -4.857 7.241 1.00 0.00 C ATOM 1048 C LEU A 69 3.910 -5.554 6.702 1.00 0.00 C ATOM 1049 O LEU A 69 3.837 -6.681 6.216 1.00 0.00 O ATOM 1050 CB LEU A 69 2.122 -3.760 6.320 1.00 0.00 C ATOM 1051 CG LEU A 69 0.698 -3.961 5.797 1.00 0.00 C ATOM 1052 CD1 LEU A 69 -0.312 -3.975 6.945 1.00 0.00 C ATOM 1053 CD2 LEU A 69 0.349 -2.912 4.739 1.00 0.00 C ATOM 0 H LEU A 69 2.753 -3.323 8.665 1.00 0.00 H new ATOM 0 HA LEU A 69 1.872 -5.609 7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.160 -2.812 6.856 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.792 -3.670 5.465 1.00 0.00 H new ATOM 0 HG LEU A 69 0.647 -4.936 5.313 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.316 -4.119 6.545 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.074 -4.789 7.629 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.268 -3.026 7.480 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.668 -3.078 4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.423 -1.916 5.176 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.043 -2.994 3.903 1.00 0.00 H new ATOM 1065 N LEU A 70 5.030 -4.853 6.809 1.00 0.00 N ATOM 1066 CA LEU A 70 6.296 -5.389 6.339 1.00 0.00 C ATOM 1067 C LEU A 70 6.570 -6.724 7.036 1.00 0.00 C ATOM 1068 O LEU A 70 6.538 -7.778 6.404 1.00 0.00 O ATOM 1069 CB LEU A 70 7.413 -4.361 6.519 1.00 0.00 C ATOM 1070 CG LEU A 70 8.776 -4.742 5.936 1.00 0.00 C ATOM 1071 CD1 LEU A 70 9.892 -3.897 6.553 1.00 0.00 C ATOM 1072 CD2 LEU A 70 9.040 -6.241 6.093 1.00 0.00 C ATOM 0 H LEU A 70 5.087 -3.919 7.214 1.00 0.00 H new ATOM 0 HA LEU A 70 6.250 -5.591 5.269 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.094 -3.424 6.063 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.536 -4.171 7.585 1.00 0.00 H new ATOM 0 HG LEU A 70 8.762 -4.527 4.867 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.850 -4.188 6.121 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.706 -2.843 6.347 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.916 -4.057 7.631 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.015 -6.485 5.671 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.027 -6.504 7.151 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.267 -6.803 5.570 1.00 0.00 H new ATOM 1084 N GLN A 71 6.834 -6.634 8.332 1.00 0.00 N ATOM 1085 CA GLN A 71 7.113 -7.821 9.122 1.00 0.00 C ATOM 1086 C GLN A 71 6.129 -8.938 8.769 1.00 0.00 C ATOM 1087 O GLN A 71 6.475 -10.117 8.829 1.00 0.00 O ATOM 1088 CB GLN A 71 7.070 -7.505 10.619 1.00 0.00 C ATOM 1089 CG GLN A 71 7.987 -6.329 10.958 1.00 0.00 C ATOM 1090 CD GLN A 71 8.575 -6.479 12.363 1.00 0.00 C ATOM 1091 OE1 GLN A 71 9.144 -7.497 12.720 1.00 0.00 O ATOM 1092 NE2 GLN A 71 8.405 -5.411 13.138 1.00 0.00 N ATOM 0 H GLN A 71 6.860 -5.758 8.854 1.00 0.00 H new ATOM 0 HA GLN A 71 8.120 -8.163 8.884 1.00 0.00 H new ATOM 0 HB2 GLN A 71 6.048 -7.271 10.916 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.374 -8.383 11.189 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.793 -6.270 10.227 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.427 -5.396 10.892 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.919 -4.591 12.776 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.761 -5.413 14.094 1.00 0.00 H new ATOM 1101 N ALA A 72 4.922 -8.528 8.408 1.00 0.00 N ATOM 1102 CA ALA A 72 3.886 -9.479 8.045 1.00 0.00 C ATOM 1103 C ALA A 72 4.308 -10.228 6.779 1.00 0.00 C ATOM 1104 O ALA A 72 4.258 -11.456 6.734 1.00 0.00 O ATOM 1105 CB ALA A 72 2.555 -8.744 7.871 1.00 0.00 C ATOM 0 H ALA A 72 4.639 -7.549 8.359 1.00 0.00 H new ATOM 0 HA ALA A 72 3.750 -10.217 8.835 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.778 -9.458 7.599 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.285 -8.253 8.806 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.653 -7.996 7.084 1.00 0.00 H new ATOM 1111 N VAL A 73 4.715 -9.457 5.782 1.00 0.00 N ATOM 1112 CA VAL A 73 5.146 -10.032 4.519 1.00 0.00 C ATOM 1113 C VAL A 73 6.289 -11.017 4.775 1.00 0.00 C ATOM 1114 O VAL A 73 6.254 -12.150 4.299 1.00 0.00 O ATOM 1115 CB VAL A 73 5.525 -8.919 3.539 1.00 0.00 C ATOM 1116 CG1 VAL A 73 4.715 -7.650 3.812 1.00 0.00 C ATOM 1117 CG2 VAL A 73 7.027 -8.632 3.589 1.00 0.00 C ATOM 0 H VAL A 73 4.756 -8.439 5.823 1.00 0.00 H new ATOM 0 HA VAL A 73 4.332 -10.591 4.057 1.00 0.00 H new ATOM 0 HB VAL A 73 5.283 -9.262 2.533 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.003 -6.875 3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.652 -7.866 3.702 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.912 -7.304 4.827 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.269 -7.837 2.883 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.305 -8.320 4.596 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.579 -9.534 3.324 1.00 0.00 H new ATOM 1127 N ARG A 74 7.274 -10.548 5.527 1.00 0.00 N ATOM 1128 CA ARG A 74 8.424 -11.374 5.853 1.00 0.00 C ATOM 1129 C ARG A 74 7.986 -12.818 6.107 1.00 0.00 C ATOM 1130 O ARG A 74 8.745 -13.753 5.858 1.00 0.00 O ATOM 1131 CB ARG A 74 9.151 -10.843 7.090 1.00 0.00 C ATOM 1132 CG ARG A 74 9.414 -9.341 6.968 1.00 0.00 C ATOM 1133 CD ARG A 74 10.072 -9.006 5.627 1.00 0.00 C ATOM 1134 NE ARG A 74 11.350 -8.296 5.853 1.00 0.00 N ATOM 1135 CZ ARG A 74 12.411 -8.380 5.040 1.00 0.00 C ATOM 1136 NH1 ARG A 74 12.352 -9.145 3.941 1.00 0.00 N ATOM 1137 NH2 ARG A 74 13.530 -7.700 5.325 1.00 0.00 N ATOM 0 H ARG A 74 7.299 -9.607 5.920 1.00 0.00 H new ATOM 0 HA ARG A 74 9.106 -11.342 5.004 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.554 -11.040 7.980 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.095 -11.372 7.216 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.475 -8.795 7.063 1.00 0.00 H new ATOM 0 HG3 ARG A 74 10.057 -9.013 7.785 1.00 0.00 H new ATOM 0 HD2 ARG A 74 10.250 -9.921 5.061 1.00 0.00 H new ATOM 0 HD3 ARG A 74 9.403 -8.387 5.029 1.00 0.00 H new ATOM 0 HE ARG A 74 11.428 -7.705 6.681 1.00 0.00 H new ATOM 0 HH11 ARG A 74 11.500 -9.662 3.725 1.00 0.00 H new ATOM 0 HH12 ARG A 74 13.159 -9.210 3.321 1.00 0.00 H new ATOM 0 HH21 ARG A 74 13.574 -7.118 6.162 1.00 0.00 H new ATOM 0 HH22 ARG A 74 14.338 -7.764 4.705 1.00 0.00 H new ATOM 1151 N ALA A 75 6.763 -12.954 6.601 1.00 0.00 N ATOM 1152 CA ALA A 75 6.216 -14.268 6.893 1.00 0.00 C ATOM 1153 C ALA A 75 5.614 -14.858 5.616 1.00 0.00 C ATOM 1154 O ALA A 75 5.950 -15.976 5.227 1.00 0.00 O ATOM 1155 CB ALA A 75 5.191 -14.154 8.022 1.00 0.00 C ATOM 0 H ALA A 75 6.136 -12.176 6.806 1.00 0.00 H new ATOM 0 HA ALA A 75 7.000 -14.945 7.232 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.780 -15.140 8.241 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.675 -13.756 8.914 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.386 -13.485 7.717 1.00 0.00 H new ATOM 1161 N ASN A 76 4.735 -14.083 4.999 1.00 0.00 N ATOM 1162 CA ASN A 76 4.083 -14.515 3.775 1.00 0.00 C ATOM 1163 C ASN A 76 4.868 -13.990 2.572 1.00 0.00 C ATOM 1164 O ASN A 76 5.078 -12.786 2.441 1.00 0.00 O ATOM 1165 CB ASN A 76 2.657 -13.967 3.686 1.00 0.00 C ATOM 1166 CG ASN A 76 1.628 -15.086 3.846 1.00 0.00 C ATOM 1167 OD1 ASN A 76 1.939 -16.265 3.788 1.00 0.00 O ATOM 1168 ND2 ASN A 76 0.387 -14.655 4.048 1.00 0.00 N ATOM 0 H ASN A 76 4.459 -13.157 5.325 1.00 0.00 H new ATOM 0 HA ASN A 76 4.050 -15.604 3.777 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.504 -13.214 4.460 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.514 -13.471 2.726 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.373 -15.325 4.165 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.195 -13.654 4.086 1.00 0.00 H new ATOM 1175 N PRO A 77 5.291 -14.945 1.700 1.00 0.00 N ATOM 1176 CA PRO A 77 6.049 -14.592 0.512 1.00 0.00 C ATOM 1177 C PRO A 77 5.140 -13.974 -0.553 1.00 0.00 C ATOM 1178 O PRO A 77 5.622 -13.373 -1.511 1.00 0.00 O ATOM 1179 CB PRO A 77 6.698 -15.889 0.059 1.00 0.00 C ATOM 1180 CG PRO A 77 5.915 -17.005 0.731 1.00 0.00 C ATOM 1181 CD PRO A 77 5.062 -16.383 1.824 1.00 0.00 C ATOM 0 HA PRO A 77 6.805 -13.831 0.706 1.00 0.00 H new ATOM 0 HB2 PRO A 77 6.662 -15.985 -1.026 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.749 -15.921 0.347 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.288 -17.522 0.005 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.593 -17.747 1.152 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.008 -16.629 1.692 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.354 -16.747 2.809 1.00 0.00 H new ATOM 1189 N ALA A 78 3.843 -14.144 -0.349 1.00 0.00 N ATOM 1190 CA ALA A 78 2.863 -13.610 -1.279 1.00 0.00 C ATOM 1191 C ALA A 78 2.896 -12.082 -1.228 1.00 0.00 C ATOM 1192 O ALA A 78 2.915 -11.422 -2.267 1.00 0.00 O ATOM 1193 CB ALA A 78 1.481 -14.175 -0.945 1.00 0.00 C ATOM 0 H ALA A 78 3.447 -14.644 0.447 1.00 0.00 H new ATOM 0 HA ALA A 78 3.100 -13.910 -2.300 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.746 -13.774 -1.643 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.503 -15.262 -1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.208 -13.892 0.072 1.00 0.00 H new ATOM 1199 N THR A 79 2.902 -11.563 -0.009 1.00 0.00 N ATOM 1200 CA THR A 79 2.933 -10.123 0.191 1.00 0.00 C ATOM 1201 C THR A 79 4.378 -9.619 0.214 1.00 0.00 C ATOM 1202 O THR A 79 4.632 -8.443 -0.039 1.00 0.00 O ATOM 1203 CB THR A 79 2.159 -9.807 1.472 1.00 0.00 C ATOM 1204 OG1 THR A 79 2.750 -8.601 1.946 1.00 0.00 O ATOM 1205 CG2 THR A 79 2.431 -10.821 2.586 1.00 0.00 C ATOM 0 H THR A 79 2.886 -12.113 0.850 1.00 0.00 H new ATOM 0 HA THR A 79 2.452 -9.598 -0.634 1.00 0.00 H new ATOM 0 HB THR A 79 1.091 -9.785 1.255 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.059 -8.034 2.348 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.857 -10.550 3.472 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.136 -11.816 2.252 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.494 -10.820 2.827 1.00 0.00 H new ATOM 1213 N LYS A 80 5.285 -10.535 0.521 1.00 0.00 N ATOM 1214 CA LYS A 80 6.698 -10.198 0.581 1.00 0.00 C ATOM 1215 C LYS A 80 7.129 -9.585 -0.754 1.00 0.00 C ATOM 1216 O LYS A 80 8.073 -8.799 -0.803 1.00 0.00 O ATOM 1217 CB LYS A 80 7.523 -11.419 0.992 1.00 0.00 C ATOM 1218 CG LYS A 80 8.147 -12.095 -0.230 1.00 0.00 C ATOM 1219 CD LYS A 80 9.426 -11.374 -0.663 1.00 0.00 C ATOM 1220 CE LYS A 80 10.427 -12.355 -1.275 1.00 0.00 C ATOM 1221 NZ LYS A 80 10.584 -12.099 -2.725 1.00 0.00 N ATOM 0 H LYS A 80 5.069 -11.510 0.731 1.00 0.00 H new ATOM 0 HA LYS A 80 6.878 -9.447 1.350 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.308 -11.116 1.685 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.888 -12.130 1.521 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.373 -13.136 0.002 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.432 -12.099 -1.052 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.182 -10.598 -1.388 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.877 -10.878 0.196 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.391 -12.258 -0.776 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.087 -13.378 -1.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.267 -12.774 -3.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.666 -12.214 -3.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.930 -11.129 -2.871 1.00 0.00 H new ATOM 1235 N LYS A 81 6.415 -9.969 -1.801 1.00 0.00 N ATOM 1236 CA LYS A 81 6.712 -9.467 -3.133 1.00 0.00 C ATOM 1237 C LYS A 81 5.689 -8.394 -3.508 1.00 0.00 C ATOM 1238 O LYS A 81 5.680 -7.906 -4.638 1.00 0.00 O ATOM 1239 CB LYS A 81 6.790 -10.620 -4.136 1.00 0.00 C ATOM 1240 CG LYS A 81 5.474 -10.769 -4.903 1.00 0.00 C ATOM 1241 CD LYS A 81 5.311 -12.192 -5.442 1.00 0.00 C ATOM 1242 CE LYS A 81 4.169 -12.920 -4.731 1.00 0.00 C ATOM 1243 NZ LYS A 81 3.661 -14.029 -5.569 1.00 0.00 N ATOM 0 H LYS A 81 5.632 -10.621 -1.755 1.00 0.00 H new ATOM 0 HA LYS A 81 7.693 -8.993 -3.151 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.606 -10.443 -4.837 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.017 -11.548 -3.612 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.638 -10.527 -4.247 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.448 -10.058 -5.729 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.114 -12.158 -6.514 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.240 -12.745 -5.306 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.518 -13.309 -3.774 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.362 -12.220 -4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.886 -14.513 -5.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.310 -13.650 -6.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.430 -14.705 -5.753 1.00 0.00 H new ATOM 1257 N ALA A 82 4.850 -8.057 -2.540 1.00 0.00 N ATOM 1258 CA ALA A 82 3.825 -7.049 -2.755 1.00 0.00 C ATOM 1259 C ALA A 82 4.288 -5.720 -2.155 1.00 0.00 C ATOM 1260 O ALA A 82 5.064 -5.702 -1.200 1.00 0.00 O ATOM 1261 CB ALA A 82 2.503 -7.531 -2.155 1.00 0.00 C ATOM 0 H ALA A 82 4.859 -8.464 -1.605 1.00 0.00 H new ATOM 0 HA ALA A 82 3.661 -6.889 -3.821 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.734 -6.776 -2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.203 -8.462 -2.636 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.629 -7.699 -1.085 1.00 0.00 H new ATOM 1267 N ALA A 83 3.794 -4.640 -2.740 1.00 0.00 N ATOM 1268 CA ALA A 83 4.147 -3.308 -2.276 1.00 0.00 C ATOM 1269 C ALA A 83 3.059 -2.797 -1.329 1.00 0.00 C ATOM 1270 O ALA A 83 2.007 -3.421 -1.193 1.00 0.00 O ATOM 1271 CB ALA A 83 4.354 -2.386 -3.478 1.00 0.00 C ATOM 0 H ALA A 83 3.151 -4.659 -3.532 1.00 0.00 H new ATOM 0 HA ALA A 83 5.084 -3.332 -1.719 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.619 -1.388 -3.129 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.157 -2.777 -4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.434 -2.335 -4.060 1.00 0.00 H new ATOM 1277 N PHE A 84 3.349 -1.668 -0.701 1.00 0.00 N ATOM 1278 CA PHE A 84 2.408 -1.065 0.228 1.00 0.00 C ATOM 1279 C PHE A 84 2.554 0.457 0.247 1.00 0.00 C ATOM 1280 O PHE A 84 3.668 0.978 0.230 1.00 0.00 O ATOM 1281 CB PHE A 84 2.738 -1.615 1.617 1.00 0.00 C ATOM 1282 CG PHE A 84 3.600 -2.877 1.598 1.00 0.00 C ATOM 1283 CD1 PHE A 84 3.032 -4.084 1.333 1.00 0.00 C ATOM 1284 CD2 PHE A 84 4.934 -2.794 1.848 1.00 0.00 C ATOM 1285 CE1 PHE A 84 3.832 -5.258 1.315 1.00 0.00 C ATOM 1286 CE2 PHE A 84 5.735 -3.967 1.830 1.00 0.00 C ATOM 1287 CZ PHE A 84 5.167 -5.174 1.564 1.00 0.00 C ATOM 0 H PHE A 84 4.222 -1.154 -0.817 1.00 0.00 H new ATOM 0 HA PHE A 84 1.387 -1.300 -0.071 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.254 -0.844 2.189 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.807 -1.831 2.141 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.972 -4.150 1.136 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.385 -1.836 2.060 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.381 -6.216 1.104 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.795 -3.900 2.027 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.776 -6.066 1.550 1.00 0.00 H new ATOM 1297 N ILE A 85 1.412 1.129 0.280 1.00 0.00 N ATOM 1298 CA ILE A 85 1.399 2.582 0.300 1.00 0.00 C ATOM 1299 C ILE A 85 0.941 3.064 1.679 1.00 0.00 C ATOM 1300 O ILE A 85 -0.063 2.586 2.206 1.00 0.00 O ATOM 1301 CB ILE A 85 0.554 3.127 -0.854 1.00 0.00 C ATOM 1302 CG1 ILE A 85 0.895 2.416 -2.165 1.00 0.00 C ATOM 1303 CG2 ILE A 85 0.700 4.645 -0.970 1.00 0.00 C ATOM 1304 CD1 ILE A 85 2.274 2.837 -2.675 1.00 0.00 C ATOM 0 H ILE A 85 0.490 0.694 0.293 1.00 0.00 H new ATOM 0 HA ILE A 85 2.403 2.974 0.141 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.494 2.920 -0.639 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.873 1.337 -2.014 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.139 2.648 -2.916 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.090 5.007 -1.797 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.370 5.114 -0.043 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.745 4.897 -1.152 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.491 2.317 -3.608 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.285 3.913 -2.848 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.030 2.582 -1.933 1.00 0.00 H new ATOM 1316 N ILE A 86 1.697 4.006 2.222 1.00 0.00 N ATOM 1317 CA ILE A 86 1.381 4.558 3.529 1.00 0.00 C ATOM 1318 C ILE A 86 1.328 6.084 3.433 1.00 0.00 C ATOM 1319 O ILE A 86 2.357 6.735 3.262 1.00 0.00 O ATOM 1320 CB ILE A 86 2.365 4.042 4.581 1.00 0.00 C ATOM 1321 CG1 ILE A 86 2.745 2.585 4.308 1.00 0.00 C ATOM 1322 CG2 ILE A 86 1.808 4.233 5.992 1.00 0.00 C ATOM 1323 CD1 ILE A 86 1.519 1.673 4.391 1.00 0.00 C ATOM 0 H ILE A 86 2.528 4.401 1.781 1.00 0.00 H new ATOM 0 HA ILE A 86 0.396 4.224 3.856 1.00 0.00 H new ATOM 0 HB ILE A 86 3.279 4.632 4.512 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.198 2.503 3.320 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.494 2.260 5.030 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.527 3.858 6.721 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.628 5.293 6.172 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.871 3.684 6.091 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.817 0.643 4.193 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.083 1.739 5.388 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.782 1.986 3.651 1.00 0.00 H new ATOM 1335 N LEU A 87 0.118 6.611 3.549 1.00 0.00 N ATOM 1336 CA LEU A 87 -0.083 8.048 3.478 1.00 0.00 C ATOM 1337 C LEU A 87 -0.756 8.529 4.765 1.00 0.00 C ATOM 1338 O LEU A 87 -1.287 7.725 5.531 1.00 0.00 O ATOM 1339 CB LEU A 87 -0.851 8.419 2.207 1.00 0.00 C ATOM 1340 CG LEU A 87 -2.371 8.525 2.349 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -2.964 7.216 2.876 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -2.759 9.722 3.220 1.00 0.00 C ATOM 0 H LEU A 87 -0.734 6.068 3.692 1.00 0.00 H new ATOM 0 HA LEU A 87 0.875 8.564 3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.472 9.374 1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.628 7.676 1.442 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.796 8.697 1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.045 7.317 2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.733 6.407 2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.536 6.990 3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.844 9.774 3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.323 9.606 4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.386 10.639 2.765 1.00 0.00 H new ATOM 1354 N THR A 88 -0.710 9.838 4.966 1.00 0.00 N ATOM 1355 CA THR A 88 -1.309 10.436 6.147 1.00 0.00 C ATOM 1356 C THR A 88 -1.994 11.755 5.788 1.00 0.00 C ATOM 1357 O THR A 88 -1.896 12.222 4.655 1.00 0.00 O ATOM 1358 CB THR A 88 -0.214 10.588 7.205 1.00 0.00 C ATOM 1359 OG1 THR A 88 -0.765 11.508 8.145 1.00 0.00 O ATOM 1360 CG2 THR A 88 1.026 11.303 6.666 1.00 0.00 C ATOM 0 H THR A 88 -0.267 10.501 4.330 1.00 0.00 H new ATOM 0 HA THR A 88 -2.094 9.801 6.558 1.00 0.00 H new ATOM 0 HB THR A 88 0.069 9.604 7.579 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.121 11.663 8.867 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.772 11.384 7.457 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.441 10.735 5.834 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.751 12.300 6.323 1.00 0.00 H new ATOM 1368 N ALA A 89 -2.674 12.319 6.776 1.00 0.00 N ATOM 1369 CA ALA A 89 -3.376 13.576 6.578 1.00 0.00 C ATOM 1370 C ALA A 89 -2.371 14.661 6.192 1.00 0.00 C ATOM 1371 O ALA A 89 -2.756 15.726 5.708 1.00 0.00 O ATOM 1372 CB ALA A 89 -4.158 13.929 7.846 1.00 0.00 C ATOM 0 H ALA A 89 -2.754 11.929 7.715 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.096 13.490 5.764 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.685 14.872 7.698 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.879 13.140 8.060 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.468 14.027 8.684 1.00 0.00 H new ATOM 1378 N GLN A 90 -1.102 14.356 6.420 1.00 0.00 N ATOM 1379 CA GLN A 90 -0.038 15.294 6.100 1.00 0.00 C ATOM 1380 C GLN A 90 0.986 14.638 5.172 1.00 0.00 C ATOM 1381 O GLN A 90 0.875 14.740 3.950 1.00 0.00 O ATOM 1382 CB GLN A 90 0.632 15.815 7.374 1.00 0.00 C ATOM 1383 CG GLN A 90 -0.284 16.790 8.115 1.00 0.00 C ATOM 1384 CD GLN A 90 0.492 18.019 8.592 1.00 0.00 C ATOM 1385 OE1 GLN A 90 0.889 18.874 7.817 1.00 0.00 O ATOM 1386 NE2 GLN A 90 0.686 18.060 9.907 1.00 0.00 N ATOM 0 H GLN A 90 -0.786 13.473 6.822 1.00 0.00 H new ATOM 0 HA GLN A 90 -0.475 16.148 5.581 1.00 0.00 H new ATOM 0 HB2 GLN A 90 0.882 14.978 8.026 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.568 16.312 7.120 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.096 17.101 7.458 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.739 16.289 8.969 1.00 0.00 H new ATOM 0 HE21 GLN A 90 0.327 17.311 10.499 1.00 0.00 H new ATOM 0 HE22 GLN A 90 1.194 18.840 10.324 1.00 0.00 H new ATOM 1395 N GLY A 91 1.958 13.980 5.785 1.00 0.00 N ATOM 1396 CA GLY A 91 3.001 13.309 5.027 1.00 0.00 C ATOM 1397 C GLY A 91 4.139 12.856 5.944 1.00 0.00 C ATOM 1398 O GLY A 91 4.576 13.607 6.814 1.00 0.00 O ATOM 0 H GLY A 91 2.046 13.897 6.798 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.582 12.447 4.509 1.00 0.00 H new ATOM 0 HA3 GLY A 91 3.391 13.982 4.263 1.00 0.00 H new ATOM 1402 N ASP A 92 4.587 11.630 5.715 1.00 0.00 N ATOM 1403 CA ASP A 92 5.667 11.069 6.510 1.00 0.00 C ATOM 1404 C ASP A 92 6.596 10.260 5.602 1.00 0.00 C ATOM 1405 O ASP A 92 6.512 9.034 5.556 1.00 0.00 O ATOM 1406 CB ASP A 92 5.125 10.128 7.589 1.00 0.00 C ATOM 1407 CG ASP A 92 4.058 10.738 8.501 1.00 0.00 C ATOM 1408 OD1 ASP A 92 4.129 11.967 8.715 1.00 0.00 O ATOM 1409 OD2 ASP A 92 3.195 9.960 8.964 1.00 0.00 O ATOM 0 H ASP A 92 4.223 11.010 4.992 1.00 0.00 H new ATOM 0 HA ASP A 92 6.200 11.893 6.984 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.706 9.246 7.104 1.00 0.00 H new ATOM 0 HB3 ASP A 92 5.957 9.788 8.205 1.00 0.00 H new ATOM 1414 N ARG A 93 7.459 10.980 4.901 1.00 0.00 N ATOM 1415 CA ARG A 93 8.402 10.346 3.997 1.00 0.00 C ATOM 1416 C ARG A 93 9.337 9.415 4.772 1.00 0.00 C ATOM 1417 O ARG A 93 9.739 8.369 4.264 1.00 0.00 O ATOM 1418 CB ARG A 93 9.236 11.388 3.249 1.00 0.00 C ATOM 1419 CG ARG A 93 8.524 11.850 1.976 1.00 0.00 C ATOM 1420 CD ARG A 93 8.429 13.376 1.924 1.00 0.00 C ATOM 1421 NE ARG A 93 9.428 13.914 0.974 1.00 0.00 N ATOM 1422 CZ ARG A 93 10.674 14.267 1.316 1.00 0.00 C ATOM 1423 NH1 ARG A 93 11.082 14.143 2.585 1.00 0.00 N ATOM 1424 NH2 ARG A 93 11.513 14.746 0.387 1.00 0.00 N ATOM 0 H ARG A 93 7.525 11.997 4.941 1.00 0.00 H new ATOM 0 HA ARG A 93 7.828 9.769 3.272 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.421 12.244 3.897 1.00 0.00 H new ATOM 0 HB3 ARG A 93 10.208 10.966 2.993 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.063 11.486 1.101 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.524 11.418 1.937 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.427 13.676 1.619 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.598 13.793 2.917 1.00 0.00 H new ATOM 0 HE ARG A 93 9.151 14.023 -0.002 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.444 13.779 3.293 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.031 14.412 2.844 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.203 14.842 -0.580 1.00 0.00 H new ATOM 0 HH22 ARG A 93 12.462 15.015 0.647 1.00 0.00 H new ATOM 1438 N ALA A 94 9.657 9.830 5.989 1.00 0.00 N ATOM 1439 CA ALA A 94 10.537 9.046 6.840 1.00 0.00 C ATOM 1440 C ALA A 94 9.840 7.739 7.220 1.00 0.00 C ATOM 1441 O ALA A 94 10.460 6.676 7.211 1.00 0.00 O ATOM 1442 CB ALA A 94 10.932 9.874 8.065 1.00 0.00 C ATOM 0 H ALA A 94 9.323 10.699 6.406 1.00 0.00 H new ATOM 0 HA ALA A 94 11.454 8.788 6.311 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.592 9.287 8.704 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.449 10.778 7.742 1.00 0.00 H new ATOM 0 HB3 ALA A 94 10.037 10.148 8.623 1.00 0.00 H new ATOM 1448 N LEU A 95 8.562 7.858 7.546 1.00 0.00 N ATOM 1449 CA LEU A 95 7.775 6.699 7.929 1.00 0.00 C ATOM 1450 C LEU A 95 7.782 5.683 6.785 1.00 0.00 C ATOM 1451 O LEU A 95 8.035 4.499 7.003 1.00 0.00 O ATOM 1452 CB LEU A 95 6.371 7.124 8.365 1.00 0.00 C ATOM 1453 CG LEU A 95 6.277 7.847 9.710 1.00 0.00 C ATOM 1454 CD1 LEU A 95 5.962 6.864 10.840 1.00 0.00 C ATOM 1455 CD2 LEU A 95 7.547 8.653 9.989 1.00 0.00 C ATOM 0 H LEU A 95 8.051 8.741 7.553 1.00 0.00 H new ATOM 0 HA LEU A 95 8.218 6.208 8.796 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.954 7.774 7.596 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.741 6.236 8.408 1.00 0.00 H new ATOM 0 HG LEU A 95 5.450 8.556 9.660 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.901 7.404 11.785 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.010 6.373 10.640 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.751 6.114 10.901 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.454 9.157 10.951 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.406 7.982 10.012 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.687 9.395 9.203 1.00 0.00 H new ATOM 1467 N VAL A 96 7.502 6.183 5.591 1.00 0.00 N ATOM 1468 CA VAL A 96 7.473 5.333 4.412 1.00 0.00 C ATOM 1469 C VAL A 96 8.868 4.756 4.170 1.00 0.00 C ATOM 1470 O VAL A 96 9.046 3.539 4.150 1.00 0.00 O ATOM 1471 CB VAL A 96 6.934 6.118 3.214 1.00 0.00 C ATOM 1472 CG1 VAL A 96 7.689 5.753 1.935 1.00 0.00 C ATOM 1473 CG2 VAL A 96 5.430 5.898 3.045 1.00 0.00 C ATOM 0 H VAL A 96 7.293 7.166 5.414 1.00 0.00 H new ATOM 0 HA VAL A 96 6.796 4.492 4.564 1.00 0.00 H new ATOM 0 HB VAL A 96 7.097 7.178 3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.286 6.325 1.099 1.00 0.00 H new ATOM 0 HG12 VAL A 96 8.747 5.986 2.058 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.573 4.688 1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.073 6.467 2.187 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.233 4.838 2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.910 6.232 3.943 1.00 0.00 H new ATOM 1483 N GLN A 97 9.823 5.658 3.991 1.00 0.00 N ATOM 1484 CA GLN A 97 11.198 5.253 3.751 1.00 0.00 C ATOM 1485 C GLN A 97 11.662 4.279 4.836 1.00 0.00 C ATOM 1486 O GLN A 97 12.548 3.459 4.600 1.00 0.00 O ATOM 1487 CB GLN A 97 12.122 6.470 3.676 1.00 0.00 C ATOM 1488 CG GLN A 97 11.809 7.321 2.444 1.00 0.00 C ATOM 1489 CD GLN A 97 13.068 7.559 1.607 1.00 0.00 C ATOM 1490 OE1 GLN A 97 13.501 8.680 1.395 1.00 0.00 O ATOM 1491 NE2 GLN A 97 13.629 6.445 1.144 1.00 0.00 N ATOM 0 H GLN A 97 9.672 6.667 4.007 1.00 0.00 H new ATOM 0 HA GLN A 97 11.243 4.743 2.789 1.00 0.00 H new ATOM 0 HB2 GLN A 97 12.009 7.073 4.577 1.00 0.00 H new ATOM 0 HB3 GLN A 97 13.161 6.141 3.641 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.053 6.823 1.837 1.00 0.00 H new ATOM 0 HG3 GLN A 97 11.389 8.277 2.755 1.00 0.00 H new ATOM 0 HE21 GLN A 97 13.215 5.538 1.359 1.00 0.00 H new ATOM 0 HE22 GLN A 97 14.473 6.498 0.574 1.00 0.00 H new ATOM 1500 N LYS A 98 11.043 4.402 6.001 1.00 0.00 N ATOM 1501 CA LYS A 98 11.381 3.542 7.122 1.00 0.00 C ATOM 1502 C LYS A 98 10.903 2.119 6.831 1.00 0.00 C ATOM 1503 O LYS A 98 11.659 1.161 6.987 1.00 0.00 O ATOM 1504 CB LYS A 98 10.829 4.121 8.426 1.00 0.00 C ATOM 1505 CG LYS A 98 11.904 4.914 9.172 1.00 0.00 C ATOM 1506 CD LYS A 98 11.279 5.808 10.245 1.00 0.00 C ATOM 1507 CE LYS A 98 12.242 6.012 11.417 1.00 0.00 C ATOM 1508 NZ LYS A 98 13.413 6.811 10.991 1.00 0.00 N ATOM 0 H LYS A 98 10.309 5.084 6.193 1.00 0.00 H new ATOM 0 HA LYS A 98 12.462 3.494 7.253 1.00 0.00 H new ATOM 0 HB2 LYS A 98 9.979 4.768 8.210 1.00 0.00 H new ATOM 0 HB3 LYS A 98 10.462 3.314 9.060 1.00 0.00 H new ATOM 0 HG2 LYS A 98 12.613 4.227 9.634 1.00 0.00 H new ATOM 0 HG3 LYS A 98 12.466 5.525 8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 98 11.018 6.774 9.812 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.353 5.358 10.604 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.728 6.517 12.235 1.00 0.00 H new ATOM 0 HE3 LYS A 98 12.572 5.045 11.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 14.048 6.955 11.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 13.922 6.306 10.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 13.092 7.734 10.634 1.00 0.00 H new ATOM 1522 N ALA A 99 9.650 2.023 6.411 1.00 0.00 N ATOM 1523 CA ALA A 99 9.062 0.732 6.096 1.00 0.00 C ATOM 1524 C ALA A 99 9.914 0.034 5.035 1.00 0.00 C ATOM 1525 O ALA A 99 10.339 -1.105 5.225 1.00 0.00 O ATOM 1526 CB ALA A 99 7.613 0.927 5.645 1.00 0.00 C ATOM 0 H ALA A 99 9.025 2.819 6.281 1.00 0.00 H new ATOM 0 HA ALA A 99 9.045 0.092 6.978 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.172 -0.041 5.409 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.043 1.400 6.445 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.590 1.562 4.759 1.00 0.00 H new ATOM 1532 N ALA A 100 10.138 0.746 3.940 1.00 0.00 N ATOM 1533 CA ALA A 100 10.932 0.209 2.847 1.00 0.00 C ATOM 1534 C ALA A 100 12.291 -0.244 3.385 1.00 0.00 C ATOM 1535 O ALA A 100 12.745 -1.347 3.087 1.00 0.00 O ATOM 1536 CB ALA A 100 11.062 1.261 1.745 1.00 0.00 C ATOM 0 H ALA A 100 9.784 1.690 3.786 1.00 0.00 H new ATOM 0 HA ALA A 100 10.444 -0.662 2.409 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.657 0.858 0.926 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.071 1.527 1.377 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.550 2.149 2.146 1.00 0.00 H new ATOM 1542 N ALA A 101 12.904 0.633 4.168 1.00 0.00 N ATOM 1543 CA ALA A 101 14.202 0.337 4.750 1.00 0.00 C ATOM 1544 C ALA A 101 14.076 -0.872 5.679 1.00 0.00 C ATOM 1545 O ALA A 101 14.894 -1.790 5.622 1.00 0.00 O ATOM 1546 CB ALA A 101 14.730 1.577 5.475 1.00 0.00 C ATOM 0 H ALA A 101 12.525 1.548 4.412 1.00 0.00 H new ATOM 0 HA ALA A 101 14.922 0.081 3.973 1.00 0.00 H new ATOM 0 HB1 ALA A 101 15.704 1.356 5.912 1.00 0.00 H new ATOM 0 HB2 ALA A 101 14.829 2.399 4.766 1.00 0.00 H new ATOM 0 HB3 ALA A 101 14.034 1.861 6.264 1.00 0.00 H new ATOM 1552 N LEU A 102 13.047 -0.835 6.512 1.00 0.00 N ATOM 1553 CA LEU A 102 12.805 -1.916 7.451 1.00 0.00 C ATOM 1554 C LEU A 102 13.059 -3.255 6.757 1.00 0.00 C ATOM 1555 O LEU A 102 13.821 -4.082 7.257 1.00 0.00 O ATOM 1556 CB LEU A 102 11.405 -1.793 8.058 1.00 0.00 C ATOM 1557 CG LEU A 102 11.174 -0.591 8.976 1.00 0.00 C ATOM 1558 CD1 LEU A 102 10.489 -1.017 10.276 1.00 0.00 C ATOM 1559 CD2 LEU A 102 12.482 0.158 9.236 1.00 0.00 C ATOM 0 H LEU A 102 12.371 -0.073 6.556 1.00 0.00 H new ATOM 0 HA LEU A 102 13.498 -1.856 8.290 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.681 -1.748 7.245 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.194 -2.701 8.622 1.00 0.00 H new ATOM 0 HG LEU A 102 10.501 0.101 8.470 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.337 -0.144 10.910 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.525 -1.472 10.047 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.116 -1.739 10.798 1.00 0.00 H new ATOM 0 HD21 LEU A 102 12.291 1.008 9.891 1.00 0.00 H new ATOM 0 HD22 LEU A 102 13.197 -0.513 9.712 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.892 0.514 8.291 1.00 0.00 H new ATOM 1571 N GLY A 103 12.407 -3.428 5.617 1.00 0.00 N ATOM 1572 CA GLY A 103 12.553 -4.653 4.849 1.00 0.00 C ATOM 1573 C GLY A 103 11.305 -4.925 4.007 1.00 0.00 C ATOM 1574 O GLY A 103 10.884 -6.072 3.868 1.00 0.00 O ATOM 0 H GLY A 103 11.776 -2.740 5.206 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.425 -4.577 4.199 1.00 0.00 H new ATOM 0 HA3 GLY A 103 12.730 -5.490 5.524 1.00 0.00 H new ATOM 1578 N ALA A 104 10.748 -3.851 3.469 1.00 0.00 N ATOM 1579 CA ALA A 104 9.556 -3.959 2.644 1.00 0.00 C ATOM 1580 C ALA A 104 9.967 -4.098 1.178 1.00 0.00 C ATOM 1581 O ALA A 104 11.062 -3.691 0.795 1.00 0.00 O ATOM 1582 CB ALA A 104 8.656 -2.745 2.886 1.00 0.00 C ATOM 0 H ALA A 104 11.100 -2.901 3.588 1.00 0.00 H new ATOM 0 HA ALA A 104 8.983 -4.847 2.911 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.762 -2.826 2.267 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.368 -2.709 3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.196 -1.834 2.626 1.00 0.00 H new ATOM 1588 N ASN A 105 9.065 -4.676 0.396 1.00 0.00 N ATOM 1589 CA ASN A 105 9.321 -4.874 -1.021 1.00 0.00 C ATOM 1590 C ASN A 105 9.290 -3.521 -1.734 1.00 0.00 C ATOM 1591 O ASN A 105 10.199 -3.196 -2.496 1.00 0.00 O ATOM 1592 CB ASN A 105 8.251 -5.767 -1.653 1.00 0.00 C ATOM 1593 CG ASN A 105 8.679 -6.230 -3.047 1.00 0.00 C ATOM 1594 OD1 ASN A 105 9.298 -7.267 -3.222 1.00 0.00 O ATOM 1595 ND2 ASN A 105 8.314 -5.408 -4.026 1.00 0.00 N ATOM 0 H ASN A 105 8.157 -5.013 0.717 1.00 0.00 H new ATOM 0 HA ASN A 105 10.296 -5.350 -1.125 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.073 -6.634 -1.016 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.310 -5.222 -1.720 1.00 0.00 H new ATOM 0 HD21 ASN A 105 8.551 -5.630 -4.993 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.797 -4.556 -3.810 1.00 0.00 H new ATOM 1602 N ASN A 106 8.234 -2.768 -1.462 1.00 0.00 N ATOM 1603 CA ASN A 106 8.072 -1.458 -2.068 1.00 0.00 C ATOM 1604 C ASN A 106 6.975 -0.689 -1.328 1.00 0.00 C ATOM 1605 O ASN A 106 5.815 -1.097 -1.332 1.00 0.00 O ATOM 1606 CB ASN A 106 7.657 -1.577 -3.536 1.00 0.00 C ATOM 1607 CG ASN A 106 8.777 -1.103 -4.463 1.00 0.00 C ATOM 1608 OD1 ASN A 106 9.746 -1.800 -4.717 1.00 0.00 O ATOM 1609 ND2 ASN A 106 8.593 0.119 -4.954 1.00 0.00 N ATOM 0 H ASN A 106 7.482 -3.041 -0.829 1.00 0.00 H new ATOM 0 HA ASN A 106 9.028 -0.938 -2.004 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.406 -2.613 -3.764 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.759 -0.985 -3.713 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.285 0.525 -5.583 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.759 0.650 -4.702 1.00 0.00 H new ATOM 1616 N VAL A 107 7.382 0.409 -0.709 1.00 0.00 N ATOM 1617 CA VAL A 107 6.449 1.238 0.036 1.00 0.00 C ATOM 1618 C VAL A 107 6.590 2.692 -0.420 1.00 0.00 C ATOM 1619 O VAL A 107 7.697 3.228 -0.465 1.00 0.00 O ATOM 1620 CB VAL A 107 6.671 1.058 1.538 1.00 0.00 C ATOM 1621 CG1 VAL A 107 8.096 1.454 1.932 1.00 0.00 C ATOM 1622 CG2 VAL A 107 5.641 1.850 2.344 1.00 0.00 C ATOM 0 H VAL A 107 8.345 0.744 -0.708 1.00 0.00 H new ATOM 0 HA VAL A 107 5.422 0.932 -0.165 1.00 0.00 H new ATOM 0 HB VAL A 107 6.539 0.002 1.772 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.228 1.317 3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 107 8.809 0.828 1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 107 8.267 2.500 1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.822 1.704 3.409 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.727 2.910 2.103 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.639 1.502 2.095 1.00 0.00 H new ATOM 1632 N LEU A 108 5.454 3.289 -0.746 1.00 0.00 N ATOM 1633 CA LEU A 108 5.437 4.670 -1.197 1.00 0.00 C ATOM 1634 C LEU A 108 4.507 5.486 -0.295 1.00 0.00 C ATOM 1635 O LEU A 108 3.520 4.962 0.220 1.00 0.00 O ATOM 1636 CB LEU A 108 5.073 4.746 -2.681 1.00 0.00 C ATOM 1637 CG LEU A 108 6.189 4.382 -3.664 1.00 0.00 C ATOM 1638 CD1 LEU A 108 7.514 5.025 -3.251 1.00 0.00 C ATOM 1639 CD2 LEU A 108 6.311 2.865 -3.817 1.00 0.00 C ATOM 0 H LEU A 108 4.538 2.842 -0.707 1.00 0.00 H new ATOM 0 HA LEU A 108 6.431 5.109 -1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.226 4.084 -2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.738 5.760 -2.901 1.00 0.00 H new ATOM 0 HG LEU A 108 5.927 4.784 -4.643 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.290 4.751 -3.966 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.403 6.109 -3.235 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.795 4.674 -2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.111 2.633 -4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.539 2.419 -2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.370 2.460 -4.191 1.00 0.00 H new ATOM 1651 N ALA A 109 4.856 6.753 -0.130 1.00 0.00 N ATOM 1652 CA ALA A 109 4.065 7.645 0.700 1.00 0.00 C ATOM 1653 C ALA A 109 3.278 8.605 -0.194 1.00 0.00 C ATOM 1654 O ALA A 109 3.471 8.626 -1.408 1.00 0.00 O ATOM 1655 CB ALA A 109 4.984 8.380 1.679 1.00 0.00 C ATOM 0 H ALA A 109 5.676 7.183 -0.557 1.00 0.00 H new ATOM 0 HA ALA A 109 3.344 7.080 1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.391 9.049 2.302 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.497 7.655 2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.720 8.960 1.122 1.00 0.00 H new ATOM 1661 N LYS A 110 2.410 9.377 0.441 1.00 0.00 N ATOM 1662 CA LYS A 110 1.593 10.337 -0.282 1.00 0.00 C ATOM 1663 C LYS A 110 1.621 11.679 0.452 1.00 0.00 C ATOM 1664 O LYS A 110 0.594 12.143 0.945 1.00 0.00 O ATOM 1665 CB LYS A 110 0.184 9.785 -0.499 1.00 0.00 C ATOM 1666 CG LYS A 110 -0.239 9.920 -1.964 1.00 0.00 C ATOM 1667 CD LYS A 110 -1.763 9.961 -2.093 1.00 0.00 C ATOM 1668 CE LYS A 110 -2.280 11.400 -2.033 1.00 0.00 C ATOM 1669 NZ LYS A 110 -3.620 11.495 -2.656 1.00 0.00 N ATOM 0 H LYS A 110 2.254 9.358 1.449 1.00 0.00 H new ATOM 0 HA LYS A 110 2.000 10.509 -1.278 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.151 8.737 -0.202 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.522 10.319 0.138 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.190 10.828 -2.388 1.00 0.00 H new ATOM 0 HG3 LYS A 110 0.156 9.082 -2.539 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.064 9.502 -3.034 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.215 9.375 -1.293 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.330 11.732 -0.996 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.585 12.064 -2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -3.957 12.478 -2.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.562 11.198 -3.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -4.284 10.876 -2.148 1.00 0.00 H new ATOM 1683 N PRO A 111 2.839 12.281 0.504 1.00 0.00 N ATOM 1684 CA PRO A 111 3.016 13.561 1.169 1.00 0.00 C ATOM 1685 C PRO A 111 2.449 14.702 0.321 1.00 0.00 C ATOM 1686 O PRO A 111 1.628 14.473 -0.567 1.00 0.00 O ATOM 1687 CB PRO A 111 4.513 13.680 1.402 1.00 0.00 C ATOM 1688 CG PRO A 111 5.164 12.689 0.451 1.00 0.00 C ATOM 1689 CD PRO A 111 4.078 11.761 -0.069 1.00 0.00 C ATOM 0 HA PRO A 111 2.474 13.624 2.113 1.00 0.00 H new ATOM 0 HB2 PRO A 111 4.859 14.695 1.205 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.766 13.452 2.437 1.00 0.00 H new ATOM 0 HG2 PRO A 111 5.647 13.212 -0.374 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.939 12.120 0.964 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.042 11.765 -1.158 1.00 0.00 H new ATOM 0 HD3 PRO A 111 4.256 10.731 0.241 1.00 0.00 H new ATOM 1697 N PHE A 112 2.910 15.906 0.624 1.00 0.00 N ATOM 1698 CA PHE A 112 2.459 17.083 -0.098 1.00 0.00 C ATOM 1699 C PHE A 112 3.416 17.424 -1.243 1.00 0.00 C ATOM 1700 O PHE A 112 3.424 18.551 -1.736 1.00 0.00 O ATOM 1701 CB PHE A 112 2.444 18.243 0.900 1.00 0.00 C ATOM 1702 CG PHE A 112 1.082 18.484 1.552 1.00 0.00 C ATOM 1703 CD1 PHE A 112 0.002 18.787 0.782 1.00 0.00 C ATOM 1704 CD2 PHE A 112 0.949 18.395 2.903 1.00 0.00 C ATOM 1705 CE1 PHE A 112 -1.263 19.010 1.389 1.00 0.00 C ATOM 1706 CE2 PHE A 112 -0.316 18.619 3.509 1.00 0.00 C ATOM 1707 CZ PHE A 112 -1.395 18.921 2.739 1.00 0.00 C ATOM 0 H PHE A 112 3.591 16.092 1.360 1.00 0.00 H new ATOM 0 HA PHE A 112 1.473 16.901 -0.525 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.179 18.047 1.680 1.00 0.00 H new ATOM 0 HB3 PHE A 112 2.757 19.153 0.388 1.00 0.00 H new ATOM 0 HD1 PHE A 112 0.106 18.858 -0.291 1.00 0.00 H new ATOM 0 HD2 PHE A 112 1.806 18.154 3.515 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -2.120 19.250 0.778 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -0.421 18.549 4.582 1.00 0.00 H new ATOM 0 HZ PHE A 112 -2.357 19.090 3.200 1.00 0.00 H new ATOM 1717 N THR A 113 4.200 16.429 -1.631 1.00 0.00 N ATOM 1718 CA THR A 113 5.160 16.609 -2.708 1.00 0.00 C ATOM 1719 C THR A 113 4.877 15.623 -3.843 1.00 0.00 C ATOM 1720 O THR A 113 5.331 14.481 -3.805 1.00 0.00 O ATOM 1721 CB THR A 113 6.565 16.471 -2.118 1.00 0.00 C ATOM 1722 OG1 THR A 113 7.391 16.208 -3.248 1.00 0.00 O ATOM 1723 CG2 THR A 113 6.714 15.221 -1.248 1.00 0.00 C ATOM 0 H THR A 113 4.190 15.496 -1.219 1.00 0.00 H new ATOM 0 HA THR A 113 5.076 17.601 -3.152 1.00 0.00 H new ATOM 0 HB THR A 113 6.799 17.356 -1.525 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.321 16.106 -2.957 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.729 15.171 -0.854 1.00 0.00 H new ATOM 0 HG22 THR A 113 6.006 15.267 -0.421 1.00 0.00 H new ATOM 0 HG23 THR A 113 6.514 14.334 -1.849 1.00 0.00 H new ATOM 1731 N ILE A 114 4.129 16.101 -4.827 1.00 0.00 N ATOM 1732 CA ILE A 114 3.782 15.276 -5.972 1.00 0.00 C ATOM 1733 C ILE A 114 5.052 14.649 -6.548 1.00 0.00 C ATOM 1734 O ILE A 114 5.004 13.575 -7.146 1.00 0.00 O ATOM 1735 CB ILE A 114 2.978 16.085 -6.991 1.00 0.00 C ATOM 1736 CG1 ILE A 114 3.840 17.178 -7.626 1.00 0.00 C ATOM 1737 CG2 ILE A 114 1.705 16.654 -6.359 1.00 0.00 C ATOM 1738 CD1 ILE A 114 4.115 16.871 -9.100 1.00 0.00 C ATOM 0 H ILE A 114 3.754 17.049 -4.855 1.00 0.00 H new ATOM 0 HA ILE A 114 3.132 14.456 -5.667 1.00 0.00 H new ATOM 0 HB ILE A 114 2.668 15.413 -7.791 1.00 0.00 H new ATOM 0 HG12 ILE A 114 3.336 18.140 -7.539 1.00 0.00 H new ATOM 0 HG13 ILE A 114 4.783 17.262 -7.086 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.152 17.225 -7.105 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.083 15.837 -5.994 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.972 17.306 -5.528 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.730 17.663 -9.528 1.00 0.00 H new ATOM 0 HD12 ILE A 114 4.641 15.920 -9.182 1.00 0.00 H new ATOM 0 HD13 ILE A 114 3.171 16.812 -9.642 1.00 0.00 H new ATOM 1750 N GLU A 115 6.161 15.347 -6.348 1.00 0.00 N ATOM 1751 CA GLU A 115 7.444 14.872 -6.841 1.00 0.00 C ATOM 1752 C GLU A 115 7.829 13.566 -6.144 1.00 0.00 C ATOM 1753 O GLU A 115 8.335 12.643 -6.781 1.00 0.00 O ATOM 1754 CB GLU A 115 8.529 15.934 -6.656 1.00 0.00 C ATOM 1755 CG GLU A 115 8.484 16.966 -7.783 1.00 0.00 C ATOM 1756 CD GLU A 115 9.764 16.922 -8.620 1.00 0.00 C ATOM 1757 OE1 GLU A 115 10.824 17.262 -8.053 1.00 0.00 O ATOM 1758 OE2 GLU A 115 9.654 16.548 -9.807 1.00 0.00 O ATOM 0 H GLU A 115 6.198 16.237 -5.852 1.00 0.00 H new ATOM 0 HA GLU A 115 7.352 14.677 -7.909 1.00 0.00 H new ATOM 0 HB2 GLU A 115 8.395 16.433 -5.696 1.00 0.00 H new ATOM 0 HB3 GLU A 115 9.509 15.458 -6.633 1.00 0.00 H new ATOM 0 HG2 GLU A 115 7.621 16.775 -8.421 1.00 0.00 H new ATOM 0 HG3 GLU A 115 8.355 17.963 -7.362 1.00 0.00 H new ATOM 1765 N LYS A 116 7.576 13.529 -4.844 1.00 0.00 N ATOM 1766 CA LYS A 116 7.890 12.350 -4.053 1.00 0.00 C ATOM 1767 C LYS A 116 6.862 11.257 -4.346 1.00 0.00 C ATOM 1768 O LYS A 116 7.222 10.157 -4.764 1.00 0.00 O ATOM 1769 CB LYS A 116 7.997 12.714 -2.571 1.00 0.00 C ATOM 1770 CG LYS A 116 9.136 11.943 -1.899 1.00 0.00 C ATOM 1771 CD LYS A 116 10.498 12.465 -2.360 1.00 0.00 C ATOM 1772 CE LYS A 116 11.503 11.320 -2.505 1.00 0.00 C ATOM 1773 NZ LYS A 116 12.337 11.206 -1.287 1.00 0.00 N ATOM 0 H LYS A 116 7.157 14.296 -4.318 1.00 0.00 H new ATOM 0 HA LYS A 116 8.866 11.952 -4.331 1.00 0.00 H new ATOM 0 HB2 LYS A 116 8.167 13.786 -2.467 1.00 0.00 H new ATOM 0 HB3 LYS A 116 7.056 12.491 -2.069 1.00 0.00 H new ATOM 0 HG2 LYS A 116 9.054 12.037 -0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 116 9.050 10.882 -2.134 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.390 12.982 -3.314 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.874 13.195 -1.643 1.00 0.00 H new ATOM 0 HE2 LYS A 116 10.974 10.383 -2.680 1.00 0.00 H new ATOM 0 HE3 LYS A 116 12.139 11.494 -3.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.014 10.425 -1.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 12.856 12.095 -1.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 11.728 11.019 -0.465 1.00 0.00 H new ATOM 1787 N MET A 117 5.602 11.596 -4.115 1.00 0.00 N ATOM 1788 CA MET A 117 4.519 10.655 -4.348 1.00 0.00 C ATOM 1789 C MET A 117 4.550 10.128 -5.784 1.00 0.00 C ATOM 1790 O MET A 117 4.584 8.918 -6.004 1.00 0.00 O ATOM 1791 CB MET A 117 3.179 11.345 -4.087 1.00 0.00 C ATOM 1792 CG MET A 117 2.011 10.446 -4.497 1.00 0.00 C ATOM 1793 SD MET A 117 0.852 11.369 -5.495 1.00 0.00 S ATOM 1794 CE MET A 117 0.649 12.818 -4.474 1.00 0.00 C ATOM 0 H MET A 117 5.307 12.509 -3.769 1.00 0.00 H new ATOM 0 HA MET A 117 4.643 9.812 -3.668 1.00 0.00 H new ATOM 0 HB2 MET A 117 3.095 11.597 -3.030 1.00 0.00 H new ATOM 0 HB3 MET A 117 3.134 12.282 -4.642 1.00 0.00 H new ATOM 0 HG2 MET A 117 2.381 9.587 -5.056 1.00 0.00 H new ATOM 0 HG3 MET A 117 1.511 10.058 -3.610 1.00 0.00 H new ATOM 0 HE1 MET A 117 -0.401 13.112 -4.463 1.00 0.00 H new ATOM 0 HE2 MET A 117 0.974 12.595 -3.458 1.00 0.00 H new ATOM 0 HE3 MET A 117 1.250 13.634 -4.876 1.00 0.00 H new ATOM 1804 N LYS A 118 4.539 11.061 -6.723 1.00 0.00 N ATOM 1805 CA LYS A 118 4.566 10.706 -8.132 1.00 0.00 C ATOM 1806 C LYS A 118 5.793 9.836 -8.411 1.00 0.00 C ATOM 1807 O LYS A 118 5.664 8.707 -8.882 1.00 0.00 O ATOM 1808 CB LYS A 118 4.492 11.961 -9.003 1.00 0.00 C ATOM 1809 CG LYS A 118 4.146 11.605 -10.450 1.00 0.00 C ATOM 1810 CD LYS A 118 3.155 12.610 -11.041 1.00 0.00 C ATOM 1811 CE LYS A 118 1.978 11.893 -11.705 1.00 0.00 C ATOM 1812 NZ LYS A 118 0.867 12.839 -11.954 1.00 0.00 N ATOM 0 H LYS A 118 4.512 12.063 -6.536 1.00 0.00 H new ATOM 0 HA LYS A 118 3.689 10.114 -8.392 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.741 12.642 -8.603 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.447 12.486 -8.972 1.00 0.00 H new ATOM 0 HG2 LYS A 118 5.055 11.589 -11.051 1.00 0.00 H new ATOM 0 HG3 LYS A 118 3.720 10.603 -10.490 1.00 0.00 H new ATOM 0 HD2 LYS A 118 2.787 13.269 -10.255 1.00 0.00 H new ATOM 0 HD3 LYS A 118 3.662 13.239 -11.773 1.00 0.00 H new ATOM 0 HE2 LYS A 118 2.301 11.446 -12.646 1.00 0.00 H new ATOM 0 HE3 LYS A 118 1.634 11.079 -11.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 0.077 12.335 -12.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 0.548 13.246 -11.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 1.194 13.602 -12.581 1.00 0.00 H new ATOM 1826 N ALA A 119 6.956 10.394 -8.108 1.00 0.00 N ATOM 1827 CA ALA A 119 8.206 9.684 -8.320 1.00 0.00 C ATOM 1828 C ALA A 119 8.162 8.350 -7.571 1.00 0.00 C ATOM 1829 O ALA A 119 8.702 7.351 -8.043 1.00 0.00 O ATOM 1830 CB ALA A 119 9.376 10.564 -7.875 1.00 0.00 C ATOM 0 H ALA A 119 7.059 11.330 -7.717 1.00 0.00 H new ATOM 0 HA ALA A 119 8.348 9.464 -9.378 1.00 0.00 H new ATOM 0 HB1 ALA A 119 10.313 10.031 -8.034 1.00 0.00 H new ATOM 0 HB2 ALA A 119 9.380 11.486 -8.456 1.00 0.00 H new ATOM 0 HB3 ALA A 119 9.270 10.803 -6.817 1.00 0.00 H new ATOM 1836 N ALA A 120 7.513 8.377 -6.415 1.00 0.00 N ATOM 1837 CA ALA A 120 7.394 7.183 -5.597 1.00 0.00 C ATOM 1838 C ALA A 120 6.704 6.083 -6.407 1.00 0.00 C ATOM 1839 O ALA A 120 7.246 4.990 -6.562 1.00 0.00 O ATOM 1840 CB ALA A 120 6.638 7.520 -4.310 1.00 0.00 C ATOM 0 H ALA A 120 7.065 9.207 -6.027 1.00 0.00 H new ATOM 0 HA ALA A 120 8.379 6.814 -5.310 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.548 6.624 -3.696 1.00 0.00 H new ATOM 0 HB2 ALA A 120 7.183 8.286 -3.758 1.00 0.00 H new ATOM 0 HB3 ALA A 120 5.644 7.890 -4.559 1.00 0.00 H new ATOM 1846 N ILE A 121 5.518 6.410 -6.899 1.00 0.00 N ATOM 1847 CA ILE A 121 4.750 5.463 -7.689 1.00 0.00 C ATOM 1848 C ILE A 121 5.583 5.010 -8.889 1.00 0.00 C ATOM 1849 O ILE A 121 5.592 3.829 -9.232 1.00 0.00 O ATOM 1850 CB ILE A 121 3.394 6.061 -8.072 1.00 0.00 C ATOM 1851 CG1 ILE A 121 3.412 6.581 -9.511 1.00 0.00 C ATOM 1852 CG2 ILE A 121 2.971 7.144 -7.077 1.00 0.00 C ATOM 1853 CD1 ILE A 121 2.020 7.046 -9.944 1.00 0.00 C ATOM 0 H ILE A 121 5.070 7.317 -6.766 1.00 0.00 H new ATOM 0 HA ILE A 121 4.526 4.572 -7.103 1.00 0.00 H new ATOM 0 HB ILE A 121 2.646 5.270 -8.024 1.00 0.00 H new ATOM 0 HG12 ILE A 121 4.117 7.408 -9.594 1.00 0.00 H new ATOM 0 HG13 ILE A 121 3.762 5.795 -10.181 1.00 0.00 H new ATOM 0 HG21 ILE A 121 2.004 7.552 -7.373 1.00 0.00 H new ATOM 0 HG22 ILE A 121 2.893 6.711 -6.080 1.00 0.00 H new ATOM 0 HG23 ILE A 121 3.714 7.941 -7.069 1.00 0.00 H new ATOM 0 HD11 ILE A 121 2.061 7.411 -10.970 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.322 6.211 -9.883 1.00 0.00 H new ATOM 0 HD13 ILE A 121 1.684 7.848 -9.287 1.00 0.00 H new ATOM 1865 N GLU A 122 6.264 5.972 -9.493 1.00 0.00 N ATOM 1866 CA GLU A 122 7.099 5.687 -10.647 1.00 0.00 C ATOM 1867 C GLU A 122 8.126 4.606 -10.305 1.00 0.00 C ATOM 1868 O GLU A 122 8.672 3.958 -11.197 1.00 0.00 O ATOM 1869 CB GLU A 122 7.787 6.957 -11.153 1.00 0.00 C ATOM 1870 CG GLU A 122 6.763 7.958 -11.690 1.00 0.00 C ATOM 1871 CD GLU A 122 7.315 8.712 -12.902 1.00 0.00 C ATOM 1872 OE1 GLU A 122 7.222 8.144 -14.012 1.00 0.00 O ATOM 1873 OE2 GLU A 122 7.817 9.836 -12.691 1.00 0.00 O ATOM 0 H GLU A 122 6.255 6.950 -9.205 1.00 0.00 H new ATOM 0 HA GLU A 122 6.462 5.314 -11.449 1.00 0.00 H new ATOM 0 HB2 GLU A 122 8.357 7.413 -10.344 1.00 0.00 H new ATOM 0 HB3 GLU A 122 8.498 6.701 -11.939 1.00 0.00 H new ATOM 0 HG2 GLU A 122 5.849 7.434 -11.969 1.00 0.00 H new ATOM 0 HG3 GLU A 122 6.497 8.667 -10.906 1.00 0.00 H new ATOM 1880 N ALA A 123 8.360 4.445 -9.011 1.00 0.00 N ATOM 1881 CA ALA A 123 9.312 3.454 -8.539 1.00 0.00 C ATOM 1882 C ALA A 123 8.597 2.114 -8.355 1.00 0.00 C ATOM 1883 O ALA A 123 9.077 1.081 -8.821 1.00 0.00 O ATOM 1884 CB ALA A 123 9.966 3.948 -7.247 1.00 0.00 C ATOM 0 H ALA A 123 7.906 4.985 -8.274 1.00 0.00 H new ATOM 0 HA ALA A 123 10.107 3.306 -9.270 1.00 0.00 H new ATOM 0 HB1 ALA A 123 10.680 3.204 -6.893 1.00 0.00 H new ATOM 0 HB2 ALA A 123 10.485 4.887 -7.438 1.00 0.00 H new ATOM 0 HB3 ALA A 123 9.199 4.105 -6.488 1.00 0.00 H new ATOM 1890 N VAL A 124 7.461 2.173 -7.676 1.00 0.00 N ATOM 1891 CA VAL A 124 6.676 0.977 -7.424 1.00 0.00 C ATOM 1892 C VAL A 124 6.252 0.361 -8.759 1.00 0.00 C ATOM 1893 O VAL A 124 6.134 -0.858 -8.875 1.00 0.00 O ATOM 1894 CB VAL A 124 5.492 1.310 -6.515 1.00 0.00 C ATOM 1895 CG1 VAL A 124 4.204 1.461 -7.327 1.00 0.00 C ATOM 1896 CG2 VAL A 124 5.328 0.255 -5.418 1.00 0.00 C ATOM 0 H VAL A 124 7.065 3.031 -7.292 1.00 0.00 H new ATOM 0 HA VAL A 124 7.272 0.232 -6.897 1.00 0.00 H new ATOM 0 HB VAL A 124 5.699 2.265 -6.032 1.00 0.00 H new ATOM 0 HG11 VAL A 124 3.377 1.698 -6.657 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.324 2.265 -8.053 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.992 0.528 -7.850 1.00 0.00 H new ATOM 0 HG21 VAL A 124 4.479 0.516 -4.786 1.00 0.00 H new ATOM 0 HG22 VAL A 124 5.155 -0.720 -5.874 1.00 0.00 H new ATOM 0 HG23 VAL A 124 6.233 0.216 -4.812 1.00 0.00 H new ATOM 1906 N PHE A 125 6.033 1.233 -9.733 1.00 0.00 N ATOM 1907 CA PHE A 125 5.624 0.789 -11.055 1.00 0.00 C ATOM 1908 C PHE A 125 6.840 0.478 -11.930 1.00 0.00 C ATOM 1909 O PHE A 125 6.700 -0.085 -13.015 1.00 0.00 O ATOM 1910 CB PHE A 125 4.837 1.939 -11.687 1.00 0.00 C ATOM 1911 CG PHE A 125 3.580 2.334 -10.910 1.00 0.00 C ATOM 1912 CD1 PHE A 125 3.095 1.516 -9.939 1.00 0.00 C ATOM 1913 CD2 PHE A 125 2.947 3.506 -11.190 1.00 0.00 C ATOM 1914 CE1 PHE A 125 1.928 1.883 -9.217 1.00 0.00 C ATOM 1915 CE2 PHE A 125 1.780 3.873 -10.469 1.00 0.00 C ATOM 1916 CZ PHE A 125 1.295 3.053 -9.498 1.00 0.00 C ATOM 0 H PHE A 125 6.131 2.243 -9.633 1.00 0.00 H new ATOM 0 HA PHE A 125 5.026 -0.119 -10.975 1.00 0.00 H new ATOM 0 HB2 PHE A 125 5.489 2.809 -11.770 1.00 0.00 H new ATOM 0 HB3 PHE A 125 4.552 1.657 -12.700 1.00 0.00 H new ATOM 0 HD1 PHE A 125 3.597 0.586 -9.716 1.00 0.00 H new ATOM 0 HD2 PHE A 125 3.332 4.157 -11.961 1.00 0.00 H new ATOM 0 HE1 PHE A 125 1.544 1.233 -8.445 1.00 0.00 H new ATOM 0 HE2 PHE A 125 1.278 4.803 -10.691 1.00 0.00 H new ATOM 0 HZ PHE A 125 0.407 3.331 -8.950 1.00 0.00 H new