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 X(o=-0.058,f=-0.058) USER MOD Set 1.2: A 17 THR OG1 : rot 160:sc= -0.0578 USER MOD Single : A 8 LYS NZ :NH3+ 172:sc= -3.97! (180deg=-4.16!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 28 GLN : amide:sc= -0.0558 X(o=-0.056,f=-0.55) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.964 K(o=-0.96,f=-5.6!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc=-0.00675 K(o=-0.0068,f=-0.88) USER MOD Single : A 44 MET CE :methyl -132:sc= -0.363 (180deg=-4.11!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 164:sc= -9.66! (180deg=-12.5!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= -3.44! C(o=-3.4!,f=-4.7!) USER MOD Single : A 52 HIS : no HE2:sc= -10.6! C(o=-11!,f=-17!) USER MOD Single : A 53 HIS : no HD1:sc= -0.978 K(o=-0.98,f=-2.1!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.445! USER MOD Single : A 60 ASN : amide:sc= -2.35 K(o=-2.4,f=-5.3!) USER MOD Single : A 61 MET CE :methyl 154:sc= -0.0928 (180deg=-0.547) 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=-0.00807 X(o=-0.0081,f=-0.14) USER MOD Single : A 76 ASN : amide:sc= -0.0501 K(o=-0.05,f=-1) USER MOD Single : A 79 THR OG1 : rot 146:sc= -1.79! 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= -0.413 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= -0.0832 X(o=-0.083,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.17 X(o=-0.17,f=0) USER MOD Single : A 106 ASN : amide:sc= -0.116! K(o=-0.12!,f=-2.2) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.0676 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -137:sc= 0.111 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 95 N ILE A 7 -2.838 -9.503 -10.284 1.00 0.00 N ATOM 96 CA ILE A 7 -2.690 -8.178 -9.705 1.00 0.00 C ATOM 97 C ILE A 7 -3.848 -7.915 -8.742 1.00 0.00 C ATOM 98 O ILE A 7 -5.012 -8.092 -9.100 1.00 0.00 O ATOM 99 CB ILE A 7 -2.556 -7.125 -10.809 1.00 0.00 C ATOM 100 CG1 ILE A 7 -1.595 -7.595 -11.902 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.144 -5.772 -10.226 1.00 0.00 C ATOM 102 CD1 ILE A 7 -2.360 -8.167 -13.096 1.00 0.00 C ATOM 0 HA ILE A 7 -1.771 -8.116 -9.122 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.532 -6.992 -11.276 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.975 -6.761 -12.229 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.923 -8.353 -11.499 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.055 -5.041 -11.030 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.898 -5.438 -9.513 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.184 -5.871 -9.719 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.653 -8.494 -13.858 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.961 -9.016 -12.770 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.013 -7.399 -13.512 1.00 0.00 H new ATOM 114 N LYS A 8 -3.489 -7.496 -7.537 1.00 0.00 N ATOM 115 CA LYS A 8 -4.484 -7.207 -6.518 1.00 0.00 C ATOM 116 C LYS A 8 -4.026 -6.004 -5.691 1.00 0.00 C ATOM 117 O LYS A 8 -2.852 -5.900 -5.338 1.00 0.00 O ATOM 118 CB LYS A 8 -4.773 -8.455 -5.682 1.00 0.00 C ATOM 119 CG LYS A 8 -6.153 -9.028 -6.011 1.00 0.00 C ATOM 120 CD LYS A 8 -7.265 -8.114 -5.494 1.00 0.00 C ATOM 121 CE LYS A 8 -7.189 -7.964 -3.974 1.00 0.00 C ATOM 122 NZ LYS A 8 -6.610 -6.651 -3.610 1.00 0.00 N ATOM 0 H LYS A 8 -2.523 -7.350 -7.244 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.433 -6.934 -6.979 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.008 -9.208 -5.870 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.722 -8.207 -4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.251 -9.152 -7.089 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.255 -10.018 -5.566 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.183 -7.134 -5.964 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.236 -8.522 -5.775 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.186 -8.060 -3.543 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.581 -8.765 -3.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.690 -6.509 -2.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.608 -6.625 -3.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.125 -5.895 -4.105 1.00 0.00 H new ATOM 136 N VAL A 9 -4.976 -5.126 -5.405 1.00 0.00 N ATOM 137 CA VAL A 9 -4.684 -3.935 -4.625 1.00 0.00 C ATOM 138 C VAL A 9 -5.611 -3.887 -3.409 1.00 0.00 C ATOM 139 O VAL A 9 -6.808 -4.144 -3.525 1.00 0.00 O ATOM 140 CB VAL A 9 -4.794 -2.691 -5.509 1.00 0.00 C ATOM 141 CG1 VAL A 9 -3.408 -2.193 -5.928 1.00 0.00 C ATOM 142 CG2 VAL A 9 -5.671 -2.963 -6.732 1.00 0.00 C ATOM 0 H VAL A 9 -5.949 -5.215 -5.699 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.660 -3.964 -4.253 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.271 -1.905 -4.924 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.514 -1.308 -6.556 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.828 -1.941 -5.040 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.894 -2.975 -6.487 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.732 -2.063 -7.343 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.236 -3.771 -7.319 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.671 -3.249 -6.406 1.00 0.00 H new ATOM 152 N LEU A 10 -5.022 -3.557 -2.269 1.00 0.00 N ATOM 153 CA LEU A 10 -5.780 -3.472 -1.032 1.00 0.00 C ATOM 154 C LEU A 10 -5.769 -2.027 -0.531 1.00 0.00 C ATOM 155 O LEU A 10 -4.706 -1.463 -0.275 1.00 0.00 O ATOM 156 CB LEU A 10 -5.252 -4.482 -0.010 1.00 0.00 C ATOM 157 CG LEU A 10 -5.177 -3.994 1.438 1.00 0.00 C ATOM 158 CD1 LEU A 10 -3.949 -3.108 1.656 1.00 0.00 C ATOM 159 CD2 LEU A 10 -6.472 -3.289 1.847 1.00 0.00 C ATOM 0 H LEU A 10 -4.029 -3.345 -2.176 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.822 -3.742 -1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.887 -5.367 -0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.255 -4.794 -0.319 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.065 -4.864 2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.920 -2.775 2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.046 -3.676 1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.005 -2.241 0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.392 -2.952 2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.639 -2.430 1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.308 -3.982 1.755 1.00 0.00 H new ATOM 171 N ILE A 11 -6.964 -1.469 -0.404 1.00 0.00 N ATOM 172 CA ILE A 11 -7.106 -0.100 0.063 1.00 0.00 C ATOM 173 C ILE A 11 -7.842 -0.097 1.404 1.00 0.00 C ATOM 174 O ILE A 11 -9.069 -0.015 1.443 1.00 0.00 O ATOM 175 CB ILE A 11 -7.774 0.764 -1.008 1.00 0.00 C ATOM 176 CG1 ILE A 11 -9.054 0.105 -1.524 1.00 0.00 C ATOM 177 CG2 ILE A 11 -6.798 1.085 -2.141 1.00 0.00 C ATOM 178 CD1 ILE A 11 -8.756 -0.831 -2.696 1.00 0.00 C ATOM 0 H ILE A 11 -7.843 -1.940 -0.616 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.127 0.348 0.236 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.061 1.712 -0.552 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.529 -0.455 -0.718 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.761 0.873 -1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.298 1.700 -2.889 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.941 1.626 -1.740 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.458 0.158 -2.602 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.684 -1.286 -3.043 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.304 -0.263 -3.509 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.068 -1.612 -2.372 1.00 0.00 H new ATOM 190 N VAL A 12 -7.062 -0.187 2.471 1.00 0.00 N ATOM 191 CA VAL A 12 -7.625 -0.194 3.811 1.00 0.00 C ATOM 192 C VAL A 12 -6.986 0.926 4.634 1.00 0.00 C ATOM 193 O VAL A 12 -5.775 1.130 4.577 1.00 0.00 O ATOM 194 CB VAL A 12 -7.449 -1.576 4.444 1.00 0.00 C ATOM 195 CG1 VAL A 12 -6.010 -1.782 4.921 1.00 0.00 C ATOM 196 CG2 VAL A 12 -8.441 -1.784 5.589 1.00 0.00 C ATOM 0 H VAL A 12 -6.045 -0.256 2.435 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.697 -0.000 3.776 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.658 -2.324 3.679 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.913 -2.772 5.367 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.330 -1.697 4.073 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.761 -1.024 5.663 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.295 -2.774 6.022 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.277 -1.026 6.355 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.459 -1.701 5.208 1.00 0.00 H new ATOM 206 N ASP A 13 -7.830 1.623 5.382 1.00 0.00 N ATOM 207 CA ASP A 13 -7.362 2.717 6.215 1.00 0.00 C ATOM 208 C ASP A 13 -8.203 2.773 7.493 1.00 0.00 C ATOM 209 O ASP A 13 -9.202 2.066 7.615 1.00 0.00 O ATOM 210 CB ASP A 13 -7.508 4.059 5.495 1.00 0.00 C ATOM 211 CG ASP A 13 -6.931 4.099 4.079 1.00 0.00 C ATOM 212 OD1 ASP A 13 -7.203 3.137 3.329 1.00 0.00 O ATOM 213 OD2 ASP A 13 -6.231 5.089 3.778 1.00 0.00 O ATOM 0 H ASP A 13 -8.834 1.451 5.428 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.310 2.542 6.443 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.566 4.315 5.447 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.020 4.829 6.092 1.00 0.00 H new ATOM 218 N ASP A 14 -7.766 3.620 8.414 1.00 0.00 N ATOM 219 CA ASP A 14 -8.465 3.777 9.678 1.00 0.00 C ATOM 220 C ASP A 14 -9.677 4.690 9.475 1.00 0.00 C ATOM 221 O ASP A 14 -10.464 4.895 10.397 1.00 0.00 O ATOM 222 CB ASP A 14 -7.561 4.419 10.731 1.00 0.00 C ATOM 223 CG ASP A 14 -7.794 3.937 12.164 1.00 0.00 C ATOM 224 OD1 ASP A 14 -8.911 4.180 12.670 1.00 0.00 O ATOM 225 OD2 ASP A 14 -6.850 3.338 12.722 1.00 0.00 O ATOM 0 H ASP A 14 -6.937 4.205 8.310 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.771 2.788 10.020 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.522 4.226 10.463 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.702 5.499 10.700 1.00 0.00 H new ATOM 230 N GLN A 15 -9.787 5.213 8.263 1.00 0.00 N ATOM 231 CA GLN A 15 -10.889 6.099 7.927 1.00 0.00 C ATOM 232 C GLN A 15 -11.146 6.079 6.420 1.00 0.00 C ATOM 233 O GLN A 15 -10.210 6.158 5.625 1.00 0.00 O ATOM 234 CB GLN A 15 -10.617 7.522 8.418 1.00 0.00 C ATOM 235 CG GLN A 15 -11.906 8.191 8.903 1.00 0.00 C ATOM 236 CD GLN A 15 -11.633 9.106 10.099 1.00 0.00 C ATOM 237 OE1 GLN A 15 -11.741 8.715 11.250 1.00 0.00 O ATOM 238 NE2 GLN A 15 -11.272 10.341 9.764 1.00 0.00 N ATOM 0 H GLN A 15 -9.131 5.040 7.501 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.785 5.740 8.433 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.888 7.498 9.228 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.178 8.111 7.612 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.347 8.769 8.091 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.633 7.428 9.183 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.201 10.603 8.781 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -11.066 11.027 10.490 1.00 0.00 H new ATOM 247 N VAL A 16 -12.419 5.972 6.070 1.00 0.00 N ATOM 248 CA VAL A 16 -12.812 5.940 4.671 1.00 0.00 C ATOM 249 C VAL A 16 -12.156 7.110 3.936 1.00 0.00 C ATOM 250 O VAL A 16 -11.514 6.918 2.904 1.00 0.00 O ATOM 251 CB VAL A 16 -14.338 5.942 4.555 1.00 0.00 C ATOM 252 CG1 VAL A 16 -14.886 4.514 4.528 1.00 0.00 C ATOM 253 CG2 VAL A 16 -14.973 6.752 5.688 1.00 0.00 C ATOM 0 H VAL A 16 -13.193 5.906 6.731 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.465 5.021 4.198 1.00 0.00 H new ATOM 0 HB VAL A 16 -14.603 6.421 3.612 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.972 4.543 4.445 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.471 3.981 3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.606 3.999 5.447 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -16.058 6.737 5.582 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.696 6.315 6.647 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -14.618 7.782 5.643 1.00 0.00 H new ATOM 263 N THR A 17 -12.339 8.297 4.495 1.00 0.00 N ATOM 264 CA THR A 17 -11.772 9.498 3.904 1.00 0.00 C ATOM 265 C THR A 17 -10.360 9.221 3.383 1.00 0.00 C ATOM 266 O THR A 17 -10.058 9.495 2.223 1.00 0.00 O ATOM 267 CB THR A 17 -11.826 10.611 4.953 1.00 0.00 C ATOM 268 OG1 THR A 17 -11.357 9.988 6.146 1.00 0.00 O ATOM 269 CG2 THR A 17 -13.258 11.030 5.290 1.00 0.00 C ATOM 0 H THR A 17 -12.872 8.453 5.351 1.00 0.00 H new ATOM 0 HA THR A 17 -12.346 9.821 3.036 1.00 0.00 H new ATOM 0 HB THR A 17 -11.270 11.476 4.592 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.055 10.675 6.777 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.239 11.822 6.039 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.752 11.394 4.389 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.805 10.173 5.682 1.00 0.00 H new ATOM 277 N SER A 18 -9.533 8.682 4.268 1.00 0.00 N ATOM 278 CA SER A 18 -8.161 8.366 3.912 1.00 0.00 C ATOM 279 C SER A 18 -8.137 7.288 2.826 1.00 0.00 C ATOM 280 O SER A 18 -7.506 7.464 1.785 1.00 0.00 O ATOM 281 CB SER A 18 -7.367 7.904 5.136 1.00 0.00 C ATOM 282 OG SER A 18 -7.169 8.960 6.072 1.00 0.00 O ATOM 0 H SER A 18 -9.787 8.457 5.230 1.00 0.00 H new ATOM 0 HA SER A 18 -7.690 9.271 3.527 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.894 7.083 5.622 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.400 7.517 4.816 1.00 0.00 H new ATOM 0 HG SER A 18 -6.660 8.625 6.840 1.00 0.00 H new ATOM 288 N ARG A 19 -8.830 6.195 3.107 1.00 0.00 N ATOM 289 CA ARG A 19 -8.898 5.088 2.169 1.00 0.00 C ATOM 290 C ARG A 19 -9.608 5.523 0.886 1.00 0.00 C ATOM 291 O ARG A 19 -8.974 5.675 -0.158 1.00 0.00 O ATOM 292 CB ARG A 19 -9.638 3.894 2.775 1.00 0.00 C ATOM 293 CG ARG A 19 -9.414 2.630 1.944 1.00 0.00 C ATOM 294 CD ARG A 19 -10.378 2.573 0.758 1.00 0.00 C ATOM 295 NE ARG A 19 -11.766 2.405 1.242 1.00 0.00 N ATOM 296 CZ ARG A 19 -12.734 1.792 0.548 1.00 0.00 C ATOM 297 NH1 ARG A 19 -12.471 1.284 -0.663 1.00 0.00 N ATOM 298 NH2 ARG A 19 -13.965 1.686 1.067 1.00 0.00 N ATOM 0 H ARG A 19 -9.350 6.052 3.973 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.876 4.786 1.939 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.293 3.728 3.796 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.704 4.113 2.830 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.386 2.606 1.583 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.552 1.749 2.571 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.298 3.487 0.169 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.111 1.746 0.101 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.000 2.779 2.161 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.534 1.364 -1.057 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.208 0.817 -1.191 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.164 2.072 1.990 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.703 1.219 0.539 1.00 0.00 H new ATOM 312 N LEU A 20 -10.915 5.710 1.004 1.00 0.00 N ATOM 313 CA LEU A 20 -11.718 6.125 -0.133 1.00 0.00 C ATOM 314 C LEU A 20 -10.932 7.141 -0.964 1.00 0.00 C ATOM 315 O LEU A 20 -11.084 7.201 -2.183 1.00 0.00 O ATOM 316 CB LEU A 20 -13.083 6.636 0.333 1.00 0.00 C ATOM 317 CG LEU A 20 -13.408 8.090 -0.012 1.00 0.00 C ATOM 318 CD1 LEU A 20 -14.822 8.458 0.441 1.00 0.00 C ATOM 319 CD2 LEU A 20 -12.356 9.039 0.566 1.00 0.00 C ATOM 0 H LEU A 20 -11.438 5.581 1.871 1.00 0.00 H new ATOM 0 HA LEU A 20 -11.926 5.275 -0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -13.854 5.999 -0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -13.143 6.518 1.415 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.379 8.198 -1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -15.028 9.497 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.544 7.811 -0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.904 8.329 1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.611 10.066 0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.329 8.935 1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.378 8.792 0.153 1.00 0.00 H new ATOM 331 N LEU A 21 -10.109 7.914 -0.271 1.00 0.00 N ATOM 332 CA LEU A 21 -9.299 8.924 -0.930 1.00 0.00 C ATOM 333 C LEU A 21 -8.262 8.239 -1.823 1.00 0.00 C ATOM 334 O LEU A 21 -8.148 8.559 -3.005 1.00 0.00 O ATOM 335 CB LEU A 21 -8.689 9.877 0.100 1.00 0.00 C ATOM 336 CG LEU A 21 -9.531 11.101 0.463 1.00 0.00 C ATOM 337 CD1 LEU A 21 -9.074 11.708 1.792 1.00 0.00 C ATOM 338 CD2 LEU A 21 -9.523 12.129 -0.670 1.00 0.00 C ATOM 0 H LEU A 21 -9.986 7.861 0.740 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.918 9.544 -1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.489 9.315 1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.727 10.222 -0.279 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.563 10.777 0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.689 12.577 2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.176 10.967 2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.031 12.013 1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.129 12.989 -0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.500 12.453 -0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.934 11.678 -1.573 1.00 0.00 H new ATOM 350 N LEU A 22 -7.534 7.308 -1.223 1.00 0.00 N ATOM 351 CA LEU A 22 -6.511 6.575 -1.949 1.00 0.00 C ATOM 352 C LEU A 22 -7.182 5.622 -2.941 1.00 0.00 C ATOM 353 O LEU A 22 -6.775 5.539 -4.099 1.00 0.00 O ATOM 354 CB LEU A 22 -5.558 5.879 -0.976 1.00 0.00 C ATOM 355 CG LEU A 22 -6.209 4.952 0.053 1.00 0.00 C ATOM 356 CD1 LEU A 22 -6.729 3.676 -0.610 1.00 0.00 C ATOM 357 CD2 LEU A 22 -5.248 4.649 1.204 1.00 0.00 C ATOM 0 H LEU A 22 -7.633 7.045 -0.242 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.892 7.258 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.839 5.299 -1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.994 6.643 -0.442 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.070 5.467 0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.187 3.035 0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.471 3.935 -1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.901 3.147 -1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.736 3.988 1.921 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.354 4.163 0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.969 5.579 1.699 1.00 0.00 H new ATOM 369 N GLY A 23 -8.196 4.924 -2.451 1.00 0.00 N ATOM 370 CA GLY A 23 -8.926 3.981 -3.279 1.00 0.00 C ATOM 371 C GLY A 23 -9.491 4.667 -4.525 1.00 0.00 C ATOM 372 O GLY A 23 -9.614 4.045 -5.579 1.00 0.00 O ATOM 0 H GLY A 23 -8.529 4.993 -1.489 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.266 3.166 -3.576 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.739 3.539 -2.703 1.00 0.00 H new ATOM 376 N ASP A 24 -9.819 5.940 -4.362 1.00 0.00 N ATOM 377 CA ASP A 24 -10.368 6.717 -5.459 1.00 0.00 C ATOM 378 C ASP A 24 -9.245 7.084 -6.432 1.00 0.00 C ATOM 379 O ASP A 24 -9.392 6.928 -7.643 1.00 0.00 O ATOM 380 CB ASP A 24 -10.998 8.017 -4.953 1.00 0.00 C ATOM 381 CG ASP A 24 -12.499 7.940 -4.669 1.00 0.00 C ATOM 382 OD1 ASP A 24 -13.242 7.625 -5.624 1.00 0.00 O ATOM 383 OD2 ASP A 24 -12.870 8.196 -3.504 1.00 0.00 O ATOM 0 H ASP A 24 -9.715 6.453 -3.486 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.131 6.113 -5.950 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.486 8.320 -4.040 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.823 8.799 -5.691 1.00 0.00 H new ATOM 388 N ALA A 25 -8.149 7.565 -5.865 1.00 0.00 N ATOM 389 CA ALA A 25 -7.000 7.955 -6.666 1.00 0.00 C ATOM 390 C ALA A 25 -6.377 6.707 -7.295 1.00 0.00 C ATOM 391 O ALA A 25 -6.088 6.690 -8.490 1.00 0.00 O ATOM 392 CB ALA A 25 -6.008 8.726 -5.794 1.00 0.00 C ATOM 0 H ALA A 25 -8.032 7.694 -4.860 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.303 8.617 -7.477 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.147 9.018 -6.394 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.491 9.618 -5.394 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.678 8.092 -4.971 1.00 0.00 H new ATOM 398 N LEU A 26 -6.187 5.695 -6.462 1.00 0.00 N ATOM 399 CA LEU A 26 -5.602 4.447 -6.923 1.00 0.00 C ATOM 400 C LEU A 26 -6.427 3.903 -8.091 1.00 0.00 C ATOM 401 O LEU A 26 -5.884 3.610 -9.156 1.00 0.00 O ATOM 402 CB LEU A 26 -5.458 3.462 -5.761 1.00 0.00 C ATOM 403 CG LEU A 26 -4.200 3.615 -4.903 1.00 0.00 C ATOM 404 CD1 LEU A 26 -2.971 3.875 -5.776 1.00 0.00 C ATOM 405 CD2 LEU A 26 -4.389 4.700 -3.842 1.00 0.00 C ATOM 0 H LEU A 26 -6.428 5.713 -5.471 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.592 4.615 -7.296 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.329 3.564 -5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.477 2.450 -6.165 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.029 2.676 -4.376 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.090 3.980 -5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.828 3.039 -6.461 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.118 4.791 -6.348 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.481 4.788 -3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.598 5.653 -4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.224 4.433 -3.194 1.00 0.00 H new ATOM 417 N GLN A 27 -7.724 3.784 -7.854 1.00 0.00 N ATOM 418 CA GLN A 27 -8.630 3.280 -8.872 1.00 0.00 C ATOM 419 C GLN A 27 -8.578 4.171 -10.115 1.00 0.00 C ATOM 420 O GLN A 27 -8.735 3.688 -11.236 1.00 0.00 O ATOM 421 CB GLN A 27 -10.057 3.172 -8.334 1.00 0.00 C ATOM 422 CG GLN A 27 -10.707 4.554 -8.225 1.00 0.00 C ATOM 423 CD GLN A 27 -12.229 4.436 -8.110 1.00 0.00 C ATOM 424 OE1 GLN A 27 -12.776 3.381 -7.836 1.00 0.00 O ATOM 425 NE2 GLN A 27 -12.878 5.575 -8.334 1.00 0.00 N ATOM 0 H GLN A 27 -8.170 4.028 -6.970 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.308 2.277 -9.153 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.651 2.538 -8.992 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.045 2.693 -7.355 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.312 5.078 -7.354 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.450 5.151 -9.100 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.357 6.423 -8.559 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.896 5.601 -8.281 1.00 0.00 H new ATOM 434 N GLN A 28 -8.355 5.455 -9.875 1.00 0.00 N ATOM 435 CA GLN A 28 -8.281 6.417 -10.961 1.00 0.00 C ATOM 436 C GLN A 28 -6.935 6.303 -11.680 1.00 0.00 C ATOM 437 O GLN A 28 -6.759 6.850 -12.768 1.00 0.00 O ATOM 438 CB GLN A 28 -8.509 7.841 -10.448 1.00 0.00 C ATOM 439 CG GLN A 28 -8.911 8.776 -11.591 1.00 0.00 C ATOM 440 CD GLN A 28 -10.408 8.667 -11.887 1.00 0.00 C ATOM 441 OE1 GLN A 28 -11.242 8.625 -10.997 1.00 0.00 O ATOM 442 NE2 GLN A 28 -10.701 8.623 -13.183 1.00 0.00 N ATOM 0 H GLN A 28 -8.223 5.851 -8.944 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.073 6.191 -11.675 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.288 7.837 -9.685 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -7.600 8.211 -9.973 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.662 9.804 -11.329 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.341 8.528 -12.486 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.954 8.663 -13.876 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.673 8.550 -13.484 1.00 0.00 H new ATOM 451 N LEU A 29 -6.018 5.588 -11.043 1.00 0.00 N ATOM 452 CA LEU A 29 -4.694 5.395 -11.609 1.00 0.00 C ATOM 453 C LEU A 29 -4.756 4.306 -12.681 1.00 0.00 C ATOM 454 O LEU A 29 -4.267 4.496 -13.794 1.00 0.00 O ATOM 455 CB LEU A 29 -3.675 5.112 -10.503 1.00 0.00 C ATOM 456 CG LEU A 29 -3.318 3.641 -10.281 1.00 0.00 C ATOM 457 CD1 LEU A 29 -2.330 3.151 -11.340 1.00 0.00 C ATOM 458 CD2 LEU A 29 -2.796 3.412 -8.861 1.00 0.00 C ATOM 0 H LEU A 29 -6.166 5.136 -10.141 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.353 6.307 -12.100 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.759 5.657 -10.732 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.062 5.517 -9.568 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.227 3.049 -10.390 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.093 2.103 -11.159 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.775 3.257 -12.329 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.417 3.744 -11.288 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.550 2.358 -8.729 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.903 4.016 -8.700 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.563 3.698 -8.141 1.00 0.00 H new ATOM 470 N GLY A 30 -5.362 3.187 -12.309 1.00 0.00 N ATOM 471 CA GLY A 30 -5.494 2.067 -13.226 1.00 0.00 C ATOM 472 C GLY A 30 -5.142 0.748 -12.534 1.00 0.00 C ATOM 473 O GLY A 30 -4.321 -0.020 -13.034 1.00 0.00 O ATOM 0 H GLY A 30 -5.767 3.032 -11.386 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.515 2.022 -13.606 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.840 2.217 -14.085 1.00 0.00 H new ATOM 477 N PHE A 31 -5.780 0.527 -11.393 1.00 0.00 N ATOM 478 CA PHE A 31 -5.544 -0.686 -10.628 1.00 0.00 C ATOM 479 C PHE A 31 -6.260 -1.881 -11.261 1.00 0.00 C ATOM 480 O PHE A 31 -7.179 -1.707 -12.060 1.00 0.00 O ATOM 481 CB PHE A 31 -6.114 -0.448 -9.228 1.00 0.00 C ATOM 482 CG PHE A 31 -5.074 0.005 -8.202 1.00 0.00 C ATOM 483 CD1 PHE A 31 -3.836 0.390 -8.613 1.00 0.00 C ATOM 484 CD2 PHE A 31 -5.389 0.023 -6.879 1.00 0.00 C ATOM 485 CE1 PHE A 31 -2.871 0.811 -7.659 1.00 0.00 C ATOM 486 CE2 PHE A 31 -4.423 0.445 -5.926 1.00 0.00 C ATOM 487 CZ PHE A 31 -3.185 0.830 -6.337 1.00 0.00 C ATOM 0 H PHE A 31 -6.459 1.167 -10.981 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.477 -0.909 -10.601 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.900 0.305 -9.290 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.580 -1.368 -8.876 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.587 0.376 -9.664 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.372 -0.283 -6.553 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.887 1.116 -7.985 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.672 0.460 -4.875 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.451 1.151 -5.612 1.00 0.00 H new ATOM 497 N LYS A 32 -5.810 -3.068 -10.880 1.00 0.00 N ATOM 498 CA LYS A 32 -6.396 -4.292 -11.401 1.00 0.00 C ATOM 499 C LYS A 32 -7.678 -4.607 -10.630 1.00 0.00 C ATOM 500 O LYS A 32 -8.766 -4.616 -11.204 1.00 0.00 O ATOM 501 CB LYS A 32 -5.370 -5.428 -11.379 1.00 0.00 C ATOM 502 CG LYS A 32 -5.082 -5.932 -12.794 1.00 0.00 C ATOM 503 CD LYS A 32 -3.935 -5.146 -13.434 1.00 0.00 C ATOM 504 CE LYS A 32 -3.951 -5.294 -14.956 1.00 0.00 C ATOM 505 NZ LYS A 32 -3.549 -4.025 -15.604 1.00 0.00 N ATOM 0 H LYS A 32 -5.047 -3.208 -10.217 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.676 -4.166 -12.447 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.446 -5.080 -10.918 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.743 -6.248 -10.766 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.828 -6.991 -12.762 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.978 -5.838 -13.407 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.018 -4.093 -13.167 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.982 -5.501 -13.041 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.274 -6.093 -15.257 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.949 -5.579 -15.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.565 -4.142 -16.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.211 -3.271 -15.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.588 -3.769 -15.300 1.00 0.00 H new ATOM 519 N GLN A 33 -7.509 -4.857 -9.339 1.00 0.00 N ATOM 520 CA GLN A 33 -8.639 -5.172 -8.483 1.00 0.00 C ATOM 521 C GLN A 33 -8.497 -4.463 -7.134 1.00 0.00 C ATOM 522 O GLN A 33 -7.644 -4.826 -6.326 1.00 0.00 O ATOM 523 CB GLN A 33 -8.782 -6.684 -8.296 1.00 0.00 C ATOM 524 CG GLN A 33 -10.127 -7.178 -8.832 1.00 0.00 C ATOM 525 CD GLN A 33 -10.692 -8.293 -7.950 1.00 0.00 C ATOM 526 OE1 GLN A 33 -10.260 -8.513 -6.829 1.00 0.00 O ATOM 527 NE2 GLN A 33 -11.678 -8.983 -8.515 1.00 0.00 N ATOM 0 H GLN A 33 -6.605 -4.848 -8.866 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.547 -4.812 -8.967 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.970 -7.196 -8.813 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.694 -6.933 -7.238 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.833 -6.349 -8.873 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.004 -7.543 -9.852 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.991 -8.747 -9.456 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.121 -9.749 -8.007 1.00 0.00 H new ATOM 536 N ILE A 34 -9.345 -3.466 -6.933 1.00 0.00 N ATOM 537 CA ILE A 34 -9.326 -2.703 -5.697 1.00 0.00 C ATOM 538 C ILE A 34 -10.096 -3.468 -4.619 1.00 0.00 C ATOM 539 O ILE A 34 -11.212 -3.928 -4.856 1.00 0.00 O ATOM 540 CB ILE A 34 -9.845 -1.284 -5.934 1.00 0.00 C ATOM 541 CG1 ILE A 34 -8.688 -0.292 -6.071 1.00 0.00 C ATOM 542 CG2 ILE A 34 -10.828 -0.870 -4.837 1.00 0.00 C ATOM 543 CD1 ILE A 34 -9.151 1.136 -5.774 1.00 0.00 C ATOM 0 H ILE A 34 -10.051 -3.168 -7.606 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.304 -2.587 -5.337 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.391 -1.273 -6.877 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.885 -0.567 -5.387 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.278 -0.343 -7.080 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -11.182 0.143 -5.029 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -11.675 -1.555 -4.830 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.328 -0.902 -3.869 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.309 1.821 -5.879 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.937 1.417 -6.475 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.537 1.189 -4.756 1.00 0.00 H new ATOM 555 N THR A 35 -9.469 -3.580 -3.456 1.00 0.00 N ATOM 556 CA THR A 35 -10.082 -4.281 -2.341 1.00 0.00 C ATOM 557 C THR A 35 -9.891 -3.491 -1.045 1.00 0.00 C ATOM 558 O THR A 35 -8.769 -3.352 -0.558 1.00 0.00 O ATOM 559 CB THR A 35 -9.490 -5.691 -2.286 1.00 0.00 C ATOM 560 OG1 THR A 35 -10.617 -6.531 -2.045 1.00 0.00 O ATOM 561 CG2 THR A 35 -8.597 -5.905 -1.063 1.00 0.00 C ATOM 0 H THR A 35 -8.544 -3.197 -3.263 1.00 0.00 H new ATOM 0 HA THR A 35 -11.160 -4.371 -2.474 1.00 0.00 H new ATOM 0 HB THR A 35 -8.914 -5.878 -3.192 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.324 -7.465 -1.996 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.203 -6.921 -1.073 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.770 -5.195 -1.088 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.180 -5.751 -0.155 1.00 0.00 H new ATOM 569 N ALA A 36 -11.003 -2.996 -0.521 1.00 0.00 N ATOM 570 CA ALA A 36 -10.971 -2.224 0.710 1.00 0.00 C ATOM 571 C ALA A 36 -11.330 -3.134 1.886 1.00 0.00 C ATOM 572 O ALA A 36 -12.061 -4.110 1.721 1.00 0.00 O ATOM 573 CB ALA A 36 -11.918 -1.029 0.586 1.00 0.00 C ATOM 0 H ALA A 36 -11.932 -3.114 -0.926 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.971 -1.830 0.892 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.895 -0.449 1.509 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.603 -0.400 -0.246 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -12.932 -1.386 0.407 1.00 0.00 H new ATOM 579 N ALA A 37 -10.800 -2.781 3.048 1.00 0.00 N ATOM 580 CA ALA A 37 -11.055 -3.554 4.252 1.00 0.00 C ATOM 581 C ALA A 37 -11.308 -2.600 5.421 1.00 0.00 C ATOM 582 O ALA A 37 -11.307 -1.382 5.244 1.00 0.00 O ATOM 583 CB ALA A 37 -9.879 -4.497 4.514 1.00 0.00 C ATOM 0 H ALA A 37 -10.195 -1.970 3.181 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.946 -4.171 4.130 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.071 -5.076 5.417 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.760 -5.173 3.668 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.967 -3.914 4.644 1.00 0.00 H new ATOM 589 N GLY A 38 -11.519 -3.188 6.589 1.00 0.00 N ATOM 590 CA GLY A 38 -11.773 -2.406 7.787 1.00 0.00 C ATOM 591 C GLY A 38 -10.594 -1.480 8.096 1.00 0.00 C ATOM 592 O GLY A 38 -10.764 -0.266 8.197 1.00 0.00 O ATOM 0 H GLY A 38 -11.519 -4.198 6.731 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.679 -1.815 7.655 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.947 -3.073 8.631 1.00 0.00 H new ATOM 596 N ASP A 39 -9.427 -2.089 8.239 1.00 0.00 N ATOM 597 CA ASP A 39 -8.221 -1.336 8.536 1.00 0.00 C ATOM 598 C ASP A 39 -7.046 -2.303 8.700 1.00 0.00 C ATOM 599 O ASP A 39 -7.244 -3.514 8.792 1.00 0.00 O ATOM 600 CB ASP A 39 -8.370 -0.548 9.840 1.00 0.00 C ATOM 601 CG ASP A 39 -9.437 -1.081 10.798 1.00 0.00 C ATOM 602 OD1 ASP A 39 -9.073 -1.936 11.633 1.00 0.00 O ATOM 603 OD2 ASP A 39 -10.592 -0.620 10.674 1.00 0.00 O ATOM 0 H ASP A 39 -9.291 -3.096 8.155 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.047 -0.643 7.713 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.410 -0.543 10.356 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.606 0.488 9.596 1.00 0.00 H new ATOM 608 N GLY A 40 -5.851 -1.733 8.732 1.00 0.00 N ATOM 609 CA GLY A 40 -4.646 -2.530 8.883 1.00 0.00 C ATOM 610 C GLY A 40 -4.918 -4.001 8.564 1.00 0.00 C ATOM 611 O GLY A 40 -5.151 -4.357 7.410 1.00 0.00 O ATOM 0 H GLY A 40 -5.691 -0.728 8.656 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.868 -2.149 8.221 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.271 -2.439 9.902 1.00 0.00 H new ATOM 615 N GLU A 41 -4.879 -4.817 9.607 1.00 0.00 N ATOM 616 CA GLU A 41 -5.118 -6.243 9.452 1.00 0.00 C ATOM 617 C GLU A 41 -6.423 -6.481 8.691 1.00 0.00 C ATOM 618 O GLU A 41 -6.441 -7.196 7.690 1.00 0.00 O ATOM 619 CB GLU A 41 -5.139 -6.946 10.811 1.00 0.00 C ATOM 620 CG GLU A 41 -6.452 -6.677 11.548 1.00 0.00 C ATOM 621 CD GLU A 41 -6.455 -7.345 12.924 1.00 0.00 C ATOM 622 OE1 GLU A 41 -5.463 -8.047 13.216 1.00 0.00 O ATOM 623 OE2 GLU A 41 -7.450 -7.138 13.653 1.00 0.00 O ATOM 0 H GLU A 41 -4.686 -4.518 10.563 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.299 -6.669 8.873 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.010 -8.019 10.671 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.301 -6.600 11.416 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.596 -5.603 11.661 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.288 -7.050 10.957 1.00 0.00 H new ATOM 630 N GLN A 42 -7.486 -5.871 9.195 1.00 0.00 N ATOM 631 CA GLN A 42 -8.793 -6.009 8.576 1.00 0.00 C ATOM 632 C GLN A 42 -8.659 -6.021 7.051 1.00 0.00 C ATOM 633 O GLN A 42 -9.478 -6.620 6.358 1.00 0.00 O ATOM 634 CB GLN A 42 -9.737 -4.895 9.034 1.00 0.00 C ATOM 635 CG GLN A 42 -10.804 -5.439 9.986 1.00 0.00 C ATOM 636 CD GLN A 42 -12.051 -5.880 9.217 1.00 0.00 C ATOM 637 OE1 GLN A 42 -12.019 -6.139 8.026 1.00 0.00 O ATOM 638 NE2 GLN A 42 -13.150 -5.950 9.963 1.00 0.00 N ATOM 0 H GLN A 42 -7.468 -5.280 10.026 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.225 -6.959 8.892 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.166 -4.111 9.531 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.216 -4.440 8.167 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -10.401 -6.282 10.546 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -11.073 -4.673 10.713 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.108 -5.719 10.956 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -14.035 -6.234 9.542 1.00 0.00 H new ATOM 647 N GLY A 43 -7.619 -5.351 6.575 1.00 0.00 N ATOM 648 CA GLY A 43 -7.367 -5.279 5.146 1.00 0.00 C ATOM 649 C GLY A 43 -6.152 -6.125 4.759 1.00 0.00 C ATOM 650 O GLY A 43 -6.195 -6.865 3.779 1.00 0.00 O ATOM 0 H GLY A 43 -6.942 -4.854 7.153 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.245 -5.626 4.601 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.200 -4.242 4.855 1.00 0.00 H new ATOM 654 N MET A 44 -5.098 -5.986 5.551 1.00 0.00 N ATOM 655 CA MET A 44 -3.875 -6.729 5.303 1.00 0.00 C ATOM 656 C MET A 44 -4.150 -8.233 5.238 1.00 0.00 C ATOM 657 O MET A 44 -3.736 -8.902 4.292 1.00 0.00 O ATOM 658 CB MET A 44 -2.868 -6.442 6.419 1.00 0.00 C ATOM 659 CG MET A 44 -2.068 -7.696 6.773 1.00 0.00 C ATOM 660 SD MET A 44 -1.206 -8.298 5.330 1.00 0.00 S ATOM 661 CE MET A 44 0.433 -7.682 5.669 1.00 0.00 C ATOM 0 H MET A 44 -5.066 -5.370 6.364 1.00 0.00 H new ATOM 0 HA MET A 44 -3.468 -6.411 4.343 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.188 -5.650 6.105 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.393 -6.080 7.303 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.354 -7.470 7.565 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.736 -8.468 7.156 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.826 -7.186 4.781 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.391 -6.970 6.493 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.085 -8.512 5.940 1.00 0.00 H new ATOM 671 N LYS A 45 -4.845 -8.720 6.255 1.00 0.00 N ATOM 672 CA LYS A 45 -5.179 -10.132 6.326 1.00 0.00 C ATOM 673 C LYS A 45 -5.943 -10.534 5.063 1.00 0.00 C ATOM 674 O LYS A 45 -5.761 -11.636 4.547 1.00 0.00 O ATOM 675 CB LYS A 45 -5.928 -10.441 7.623 1.00 0.00 C ATOM 676 CG LYS A 45 -5.016 -10.268 8.838 1.00 0.00 C ATOM 677 CD LYS A 45 -4.773 -11.608 9.536 1.00 0.00 C ATOM 678 CE LYS A 45 -4.533 -12.722 8.516 1.00 0.00 C ATOM 679 NZ LYS A 45 -3.668 -13.776 9.092 1.00 0.00 N ATOM 0 H LYS A 45 -5.186 -8.161 7.037 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.273 -10.737 6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.791 -9.781 7.715 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.309 -11.462 7.593 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.064 -9.839 8.525 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.467 -9.565 9.539 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.912 -11.526 10.199 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.632 -11.859 10.158 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.486 -13.153 8.209 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.067 -12.309 7.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.515 -14.524 8.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.752 -13.364 9.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.128 -14.181 9.932 1.00 0.00 H new ATOM 693 N ILE A 46 -6.782 -9.619 4.601 1.00 0.00 N ATOM 694 CA ILE A 46 -7.575 -9.863 3.408 1.00 0.00 C ATOM 695 C ILE A 46 -6.642 -10.138 2.228 1.00 0.00 C ATOM 696 O ILE A 46 -6.878 -11.057 1.445 1.00 0.00 O ATOM 697 CB ILE A 46 -8.550 -8.709 3.166 1.00 0.00 C ATOM 698 CG1 ILE A 46 -9.904 -8.989 3.820 1.00 0.00 C ATOM 699 CG2 ILE A 46 -8.686 -8.411 1.672 1.00 0.00 C ATOM 700 CD1 ILE A 46 -9.728 -9.697 5.165 1.00 0.00 C ATOM 0 H ILE A 46 -6.930 -8.706 5.032 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.195 -10.750 3.538 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.144 -7.814 3.637 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.442 -8.052 3.966 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.511 -9.606 3.157 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.385 -7.587 1.527 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.712 -8.137 1.266 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.058 -9.297 1.157 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -10.706 -9.884 5.608 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -9.211 -10.645 5.013 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -9.141 -9.067 5.834 1.00 0.00 H new ATOM 712 N MET A 47 -5.600 -9.324 2.137 1.00 0.00 N ATOM 713 CA MET A 47 -4.629 -9.467 1.066 1.00 0.00 C ATOM 714 C MET A 47 -3.828 -10.761 1.221 1.00 0.00 C ATOM 715 O MET A 47 -3.438 -11.376 0.229 1.00 0.00 O ATOM 716 CB MET A 47 -3.675 -8.271 1.077 1.00 0.00 C ATOM 717 CG MET A 47 -4.356 -7.021 0.516 1.00 0.00 C ATOM 718 SD MET A 47 -4.473 -7.135 -1.262 1.00 0.00 S ATOM 719 CE MET A 47 -2.932 -6.362 -1.725 1.00 0.00 C ATOM 0 H MET A 47 -5.407 -8.563 2.788 1.00 0.00 H new ATOM 0 HA MET A 47 -5.166 -9.505 0.118 1.00 0.00 H new ATOM 0 HB2 MET A 47 -3.338 -8.080 2.096 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.789 -8.503 0.486 1.00 0.00 H new ATOM 0 HG2 MET A 47 -5.351 -6.914 0.948 1.00 0.00 H new ATOM 0 HG3 MET A 47 -3.790 -6.132 0.795 1.00 0.00 H new ATOM 0 HE1 MET A 47 -2.706 -6.596 -2.765 1.00 0.00 H new ATOM 0 HE2 MET A 47 -3.017 -5.282 -1.606 1.00 0.00 H new ATOM 0 HE3 MET A 47 -2.131 -6.735 -1.086 1.00 0.00 H new ATOM 729 N ALA A 48 -3.607 -11.136 2.472 1.00 0.00 N ATOM 730 CA ALA A 48 -2.860 -12.346 2.770 1.00 0.00 C ATOM 731 C ALA A 48 -3.615 -13.556 2.217 1.00 0.00 C ATOM 732 O ALA A 48 -3.025 -14.414 1.562 1.00 0.00 O ATOM 733 CB ALA A 48 -2.626 -12.444 4.278 1.00 0.00 C ATOM 0 H ALA A 48 -3.932 -10.623 3.291 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.882 -12.320 2.290 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.066 -13.352 4.501 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.060 -11.576 4.616 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.586 -12.474 4.794 1.00 0.00 H new ATOM 739 N GLN A 49 -4.909 -13.586 2.501 1.00 0.00 N ATOM 740 CA GLN A 49 -5.751 -14.677 2.041 1.00 0.00 C ATOM 741 C GLN A 49 -5.820 -14.685 0.512 1.00 0.00 C ATOM 742 O GLN A 49 -5.377 -15.637 -0.128 1.00 0.00 O ATOM 743 CB GLN A 49 -7.150 -14.585 2.652 1.00 0.00 C ATOM 744 CG GLN A 49 -7.074 -14.336 4.160 1.00 0.00 C ATOM 745 CD GLN A 49 -7.484 -15.585 4.944 1.00 0.00 C ATOM 746 OE1 GLN A 49 -6.731 -16.533 5.088 1.00 0.00 O ATOM 747 NE2 GLN A 49 -8.717 -15.532 5.440 1.00 0.00 N ATOM 0 H GLN A 49 -5.395 -12.872 3.044 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.308 -15.617 2.371 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.707 -13.779 2.174 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.696 -15.508 2.459 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.059 -14.047 4.434 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.725 -13.504 4.428 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.295 -14.707 5.282 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.084 -16.317 5.978 1.00 0.00 H new ATOM 756 N ASN A 50 -6.380 -13.613 -0.028 1.00 0.00 N ATOM 757 CA ASN A 50 -6.512 -13.484 -1.470 1.00 0.00 C ATOM 758 C ASN A 50 -5.180 -13.018 -2.061 1.00 0.00 C ATOM 759 O ASN A 50 -4.194 -12.874 -1.341 1.00 0.00 O ATOM 760 CB ASN A 50 -7.579 -12.450 -1.834 1.00 0.00 C ATOM 761 CG ASN A 50 -8.509 -12.180 -0.650 1.00 0.00 C ATOM 762 OD1 ASN A 50 -8.788 -13.045 0.163 1.00 0.00 O ATOM 763 ND2 ASN A 50 -8.971 -10.934 -0.598 1.00 0.00 N ATOM 0 H ASN A 50 -6.748 -12.826 0.506 1.00 0.00 H new ATOM 0 HA ASN A 50 -6.800 -14.456 -1.871 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.100 -11.521 -2.143 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.161 -12.807 -2.684 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.599 -10.654 0.156 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.697 -10.258 -1.312 1.00 0.00 H new ATOM 770 N PRO A 51 -5.196 -12.791 -3.402 1.00 0.00 N ATOM 771 CA PRO A 51 -4.000 -12.345 -4.099 1.00 0.00 C ATOM 772 C PRO A 51 -3.721 -10.867 -3.815 1.00 0.00 C ATOM 773 O PRO A 51 -4.647 -10.066 -3.704 1.00 0.00 O ATOM 774 CB PRO A 51 -4.273 -12.627 -5.566 1.00 0.00 C ATOM 775 CG PRO A 51 -5.780 -12.787 -5.688 1.00 0.00 C ATOM 776 CD PRO A 51 -6.345 -12.951 -4.287 1.00 0.00 C ATOM 0 HA PRO A 51 -3.100 -12.864 -3.768 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -3.915 -11.811 -6.193 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.757 -13.530 -5.892 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.218 -11.917 -6.177 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -6.024 -13.654 -6.302 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.111 -12.204 -4.079 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.810 -13.929 -4.160 1.00 0.00 H new ATOM 784 N HIS A 52 -2.439 -10.551 -3.707 1.00 0.00 N ATOM 785 CA HIS A 52 -2.024 -9.184 -3.438 1.00 0.00 C ATOM 786 C HIS A 52 -0.833 -8.826 -4.328 1.00 0.00 C ATOM 787 O HIS A 52 0.041 -9.658 -4.567 1.00 0.00 O ATOM 788 CB HIS A 52 -1.734 -8.987 -1.949 1.00 0.00 C ATOM 789 CG HIS A 52 -0.896 -10.083 -1.336 1.00 0.00 C ATOM 790 ND1 HIS A 52 -0.818 -10.293 0.030 1.00 0.00 N ATOM 791 CD2 HIS A 52 -0.103 -11.029 -1.916 1.00 0.00 C ATOM 792 CE1 HIS A 52 -0.011 -11.319 0.250 1.00 0.00 C ATOM 793 NE2 HIS A 52 0.432 -11.775 -0.957 1.00 0.00 N ATOM 0 H HIS A 52 -1.673 -11.218 -3.801 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.835 -8.498 -3.683 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.224 -8.034 -1.812 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.680 -8.923 -1.411 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -1.300 -9.749 0.746 1.00 0.00 H new ATOM 0 HD2 HIS A 52 0.062 -11.151 -2.976 1.00 0.00 H new ATOM 0 HE1 HIS A 52 0.251 -11.724 1.216 1.00 0.00 H new ATOM 802 N HIS A 53 -0.835 -7.585 -4.795 1.00 0.00 N ATOM 803 CA HIS A 53 0.235 -7.106 -5.652 1.00 0.00 C ATOM 804 C HIS A 53 0.714 -5.738 -5.160 1.00 0.00 C ATOM 805 O HIS A 53 1.909 -5.449 -5.184 1.00 0.00 O ATOM 806 CB HIS A 53 -0.209 -7.086 -7.116 1.00 0.00 C ATOM 807 CG HIS A 53 0.921 -6.902 -8.099 1.00 0.00 C ATOM 808 ND1 HIS A 53 1.053 -5.773 -8.888 1.00 0.00 N ATOM 809 CD2 HIS A 53 1.972 -7.714 -8.411 1.00 0.00 C ATOM 810 CE1 HIS A 53 2.137 -5.911 -9.638 1.00 0.00 C ATOM 811 NE2 HIS A 53 2.704 -7.115 -9.342 1.00 0.00 N ATOM 0 H HIS A 53 -1.561 -6.897 -4.595 1.00 0.00 H new ATOM 0 HA HIS A 53 1.082 -7.790 -5.598 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.724 -8.020 -7.341 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.932 -6.282 -7.255 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.174 -8.681 -7.974 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.506 -5.195 -10.357 1.00 0.00 H new ATOM 0 HE2 HIS A 53 3.551 -7.493 -9.766 1.00 0.00 H new ATOM 820 N LEU A 54 -0.244 -4.933 -4.725 1.00 0.00 N ATOM 821 CA LEU A 54 0.065 -3.604 -4.227 1.00 0.00 C ATOM 822 C LEU A 54 -0.899 -3.252 -3.092 1.00 0.00 C ATOM 823 O LEU A 54 -2.110 -3.187 -3.298 1.00 0.00 O ATOM 824 CB LEU A 54 0.064 -2.590 -5.372 1.00 0.00 C ATOM 825 CG LEU A 54 0.517 -1.172 -5.014 1.00 0.00 C ATOM 826 CD1 LEU A 54 1.847 -0.836 -5.690 1.00 0.00 C ATOM 827 CD2 LEU A 54 -0.570 -0.148 -5.346 1.00 0.00 C ATOM 0 H LEU A 54 -1.235 -5.176 -4.707 1.00 0.00 H new ATOM 0 HA LEU A 54 1.072 -3.578 -3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.710 -2.967 -6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.945 -2.535 -5.781 1.00 0.00 H new ATOM 0 HG LEU A 54 0.682 -1.127 -3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.147 0.176 -5.420 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.611 -1.541 -5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.733 -0.904 -6.772 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.222 0.851 -5.082 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.791 -0.185 -6.413 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.473 -0.379 -4.780 1.00 0.00 H new ATOM 839 N VAL A 55 -0.326 -3.033 -1.918 1.00 0.00 N ATOM 840 CA VAL A 55 -1.119 -2.689 -0.749 1.00 0.00 C ATOM 841 C VAL A 55 -1.083 -1.174 -0.543 1.00 0.00 C ATOM 842 O VAL A 55 -0.034 -0.548 -0.688 1.00 0.00 O ATOM 843 CB VAL A 55 -0.623 -3.471 0.468 1.00 0.00 C ATOM 844 CG1 VAL A 55 -0.982 -2.747 1.767 1.00 0.00 C ATOM 845 CG2 VAL A 55 -1.175 -4.899 0.465 1.00 0.00 C ATOM 0 H VAL A 55 0.679 -3.087 -1.751 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.161 -2.972 -0.897 1.00 0.00 H new ATOM 0 HB VAL A 55 0.464 -3.532 0.407 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.618 -3.324 2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.519 -1.760 1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.065 -2.641 1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.807 -5.433 1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.264 -4.868 0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.847 -5.414 -0.438 1.00 0.00 H new ATOM 855 N ILE A 56 -2.242 -0.627 -0.206 1.00 0.00 N ATOM 856 CA ILE A 56 -2.357 0.803 0.022 1.00 0.00 C ATOM 857 C ILE A 56 -3.253 1.051 1.238 1.00 0.00 C ATOM 858 O ILE A 56 -4.422 0.671 1.239 1.00 0.00 O ATOM 859 CB ILE A 56 -2.832 1.512 -1.247 1.00 0.00 C ATOM 860 CG1 ILE A 56 -3.908 0.694 -1.962 1.00 0.00 C ATOM 861 CG2 ILE A 56 -1.653 1.839 -2.166 1.00 0.00 C ATOM 862 CD1 ILE A 56 -3.305 -0.549 -2.620 1.00 0.00 C ATOM 0 H ILE A 56 -3.110 -1.149 -0.085 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.381 1.232 0.252 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.288 2.459 -0.959 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.677 0.396 -1.249 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.396 1.310 -2.718 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.018 2.343 -3.061 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.954 2.491 -1.643 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.146 0.917 -2.450 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.091 -1.113 -3.121 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.554 -0.246 -3.350 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.839 -1.174 -1.858 1.00 0.00 H new ATOM 874 N SER A 57 -2.669 1.686 2.244 1.00 0.00 N ATOM 875 CA SER A 57 -3.400 1.988 3.463 1.00 0.00 C ATOM 876 C SER A 57 -2.974 3.355 4.003 1.00 0.00 C ATOM 877 O SER A 57 -2.189 4.060 3.369 1.00 0.00 O ATOM 878 CB SER A 57 -3.179 0.906 4.520 1.00 0.00 C ATOM 879 OG SER A 57 -3.390 1.399 5.841 1.00 0.00 O ATOM 0 H SER A 57 -1.698 1.999 2.240 1.00 0.00 H new ATOM 0 HA SER A 57 -4.464 2.014 3.227 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.855 0.072 4.332 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.164 0.519 4.435 1.00 0.00 H new ATOM 0 HG SER A 57 -3.241 0.678 6.487 1.00 0.00 H new ATOM 885 N ASP A 58 -3.508 3.688 5.169 1.00 0.00 N ATOM 886 CA ASP A 58 -3.192 4.957 5.801 1.00 0.00 C ATOM 887 C ASP A 58 -1.967 4.783 6.701 1.00 0.00 C ATOM 888 O ASP A 58 -1.507 3.663 6.917 1.00 0.00 O ATOM 889 CB ASP A 58 -4.353 5.442 6.672 1.00 0.00 C ATOM 890 CG ASP A 58 -4.725 4.514 7.830 1.00 0.00 C ATOM 891 OD1 ASP A 58 -4.112 3.426 7.906 1.00 0.00 O ATOM 892 OD2 ASP A 58 -5.613 4.912 8.614 1.00 0.00 O ATOM 0 H ASP A 58 -4.157 3.101 5.692 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.001 5.687 5.015 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.098 6.421 7.078 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.230 5.578 6.039 1.00 0.00 H new ATOM 897 N PHE A 59 -1.475 5.907 7.200 1.00 0.00 N ATOM 898 CA PHE A 59 -0.312 5.891 8.072 1.00 0.00 C ATOM 899 C PHE A 59 -0.713 5.590 9.517 1.00 0.00 C ATOM 900 O PHE A 59 0.139 5.296 10.354 1.00 0.00 O ATOM 901 CB PHE A 59 0.312 7.287 8.009 1.00 0.00 C ATOM 902 CG PHE A 59 1.652 7.337 7.270 1.00 0.00 C ATOM 903 CD1 PHE A 59 2.607 6.405 7.531 1.00 0.00 C ATOM 904 CD2 PHE A 59 1.886 8.312 6.353 1.00 0.00 C ATOM 905 CE1 PHE A 59 3.850 6.451 6.846 1.00 0.00 C ATOM 906 CE2 PHE A 59 3.129 8.359 5.667 1.00 0.00 C ATOM 907 CZ PHE A 59 4.085 7.427 5.927 1.00 0.00 C ATOM 0 H PHE A 59 -1.860 6.834 7.018 1.00 0.00 H new ATOM 0 HA PHE A 59 0.385 5.118 7.749 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.387 7.965 7.519 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.455 7.656 9.025 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.420 5.630 8.259 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.127 9.051 6.146 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.609 5.711 7.054 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.315 9.135 4.939 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.030 7.461 5.405 1.00 0.00 H new ATOM 917 N ASN A 60 -2.012 5.675 9.766 1.00 0.00 N ATOM 918 CA ASN A 60 -2.536 5.415 11.097 1.00 0.00 C ATOM 919 C ASN A 60 -1.822 4.202 11.694 1.00 0.00 C ATOM 920 O ASN A 60 -1.060 3.524 11.006 1.00 0.00 O ATOM 921 CB ASN A 60 -4.034 5.106 11.046 1.00 0.00 C ATOM 922 CG ASN A 60 -4.847 6.370 10.757 1.00 0.00 C ATOM 923 OD1 ASN A 60 -4.743 6.978 9.705 1.00 0.00 O ATOM 924 ND2 ASN A 60 -5.658 6.729 11.747 1.00 0.00 N ATOM 0 H ASN A 60 -2.716 5.920 9.070 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.371 6.304 11.705 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.229 4.360 10.275 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.352 4.674 11.995 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.242 7.559 11.652 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.696 6.174 12.602 1.00 0.00 H new ATOM 931 N MET A 61 -2.093 3.964 12.969 1.00 0.00 N ATOM 932 CA MET A 61 -1.486 2.844 13.667 1.00 0.00 C ATOM 933 C MET A 61 -2.516 1.748 13.944 1.00 0.00 C ATOM 934 O MET A 61 -2.861 1.492 15.097 1.00 0.00 O ATOM 935 CB MET A 61 -0.888 3.330 14.989 1.00 0.00 C ATOM 936 CG MET A 61 -1.989 3.708 15.983 1.00 0.00 C ATOM 937 SD MET A 61 -1.509 5.160 16.903 1.00 0.00 S ATOM 938 CE MET A 61 -1.638 6.396 15.622 1.00 0.00 C ATOM 0 H MET A 61 -2.725 4.528 13.537 1.00 0.00 H new ATOM 0 HA MET A 61 -0.702 2.428 13.035 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.259 2.549 15.417 1.00 0.00 H new ATOM 0 HB3 MET A 61 -0.246 4.192 14.807 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.922 3.896 15.451 1.00 0.00 H new ATOM 0 HG3 MET A 61 -2.174 2.879 16.666 1.00 0.00 H new ATOM 0 HE1 MET A 61 -1.831 7.369 16.073 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.705 6.435 15.059 1.00 0.00 H new ATOM 0 HE3 MET A 61 -2.457 6.139 14.950 1.00 0.00 H new ATOM 948 N PRO A 62 -2.990 1.112 12.839 1.00 0.00 N ATOM 949 CA PRO A 62 -3.974 0.048 12.952 1.00 0.00 C ATOM 950 C PRO A 62 -3.329 -1.243 13.461 1.00 0.00 C ATOM 951 O PRO A 62 -2.258 -1.210 14.066 1.00 0.00 O ATOM 952 CB PRO A 62 -4.563 -0.091 11.558 1.00 0.00 C ATOM 953 CG PRO A 62 -3.570 0.570 10.618 1.00 0.00 C ATOM 954 CD PRO A 62 -2.604 1.388 11.459 1.00 0.00 C ATOM 0 HA PRO A 62 -4.755 0.271 13.679 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.708 -1.140 11.298 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.539 0.391 11.497 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -3.031 -0.182 10.042 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.089 1.209 9.903 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.571 1.097 11.271 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.682 2.451 11.231 1.00 0.00 H new ATOM 962 N LYS A 63 -4.008 -2.349 13.197 1.00 0.00 N ATOM 963 CA LYS A 63 -3.515 -3.649 13.621 1.00 0.00 C ATOM 964 C LYS A 63 -2.175 -3.928 12.938 1.00 0.00 C ATOM 965 O LYS A 63 -1.315 -4.601 13.504 1.00 0.00 O ATOM 966 CB LYS A 63 -4.570 -4.729 13.371 1.00 0.00 C ATOM 967 CG LYS A 63 -5.536 -4.836 14.552 1.00 0.00 C ATOM 968 CD LYS A 63 -5.196 -6.041 15.432 1.00 0.00 C ATOM 969 CE LYS A 63 -3.704 -6.369 15.359 1.00 0.00 C ATOM 970 NZ LYS A 63 -3.239 -6.959 16.634 1.00 0.00 N ATOM 0 H LYS A 63 -4.896 -2.372 12.695 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.333 -3.656 14.696 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.125 -4.496 12.462 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.081 -5.689 13.209 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.492 -3.923 15.146 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.558 -4.927 14.183 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.476 -5.832 16.465 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.778 -6.905 15.112 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.518 -7.065 14.541 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.137 -5.464 15.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.224 -7.175 16.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.398 -6.283 17.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.768 -7.834 16.825 1.00 0.00 H new ATOM 984 N MET A 64 -2.040 -3.397 11.731 1.00 0.00 N ATOM 985 CA MET A 64 -0.818 -3.582 10.966 1.00 0.00 C ATOM 986 C MET A 64 -0.560 -2.384 10.050 1.00 0.00 C ATOM 987 O MET A 64 -1.403 -2.035 9.225 1.00 0.00 O ATOM 988 CB MET A 64 -0.930 -4.854 10.124 1.00 0.00 C ATOM 989 CG MET A 64 -1.484 -6.014 10.955 1.00 0.00 C ATOM 990 SD MET A 64 -1.183 -7.562 10.118 1.00 0.00 S ATOM 991 CE MET A 64 -0.006 -8.297 11.239 1.00 0.00 C ATOM 0 H MET A 64 -2.756 -2.839 11.265 1.00 0.00 H new ATOM 0 HA MET A 64 0.016 -3.670 11.663 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.580 -4.672 9.268 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.050 -5.120 9.729 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.014 -6.025 11.938 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.554 -5.879 11.115 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.290 -9.277 10.864 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.873 -7.657 11.315 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.461 -8.407 12.223 1.00 0.00 H new ATOM 1001 N ASP A 65 0.610 -1.787 10.225 1.00 0.00 N ATOM 1002 CA ASP A 65 0.990 -0.635 9.425 1.00 0.00 C ATOM 1003 C ASP A 65 2.353 -0.894 8.781 1.00 0.00 C ATOM 1004 O ASP A 65 3.018 -1.878 9.102 1.00 0.00 O ATOM 1005 CB ASP A 65 1.105 0.622 10.288 1.00 0.00 C ATOM 1006 CG ASP A 65 1.027 1.944 9.520 1.00 0.00 C ATOM 1007 OD1 ASP A 65 0.336 1.954 8.478 1.00 0.00 O ATOM 1008 OD2 ASP A 65 1.659 2.913 9.992 1.00 0.00 O ATOM 0 H ASP A 65 1.307 -2.080 10.909 1.00 0.00 H new ATOM 0 HA ASP A 65 0.221 -0.482 8.668 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.311 0.606 11.035 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.051 0.588 10.828 1.00 0.00 H new ATOM 1013 N GLY A 66 2.731 0.006 7.886 1.00 0.00 N ATOM 1014 CA GLY A 66 4.004 -0.112 7.196 1.00 0.00 C ATOM 1015 C GLY A 66 4.997 -0.938 8.016 1.00 0.00 C ATOM 1016 O GLY A 66 5.749 -1.740 7.463 1.00 0.00 O ATOM 0 H GLY A 66 2.177 0.821 7.622 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.853 -0.580 6.223 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.415 0.880 7.012 1.00 0.00 H new ATOM 1020 N LEU A 67 4.970 -0.711 9.321 1.00 0.00 N ATOM 1021 CA LEU A 67 5.859 -1.424 10.223 1.00 0.00 C ATOM 1022 C LEU A 67 5.389 -2.874 10.355 1.00 0.00 C ATOM 1023 O LEU A 67 6.095 -3.799 9.957 1.00 0.00 O ATOM 1024 CB LEU A 67 5.969 -0.688 11.559 1.00 0.00 C ATOM 1025 CG LEU A 67 6.461 0.759 11.489 1.00 0.00 C ATOM 1026 CD1 LEU A 67 7.875 0.831 10.911 1.00 0.00 C ATOM 1027 CD2 LEU A 67 5.478 1.635 10.710 1.00 0.00 C ATOM 0 H LEU A 67 4.347 -0.044 9.775 1.00 0.00 H new ATOM 0 HA LEU A 67 6.870 -1.453 9.818 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.989 -0.695 12.037 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.643 -1.249 12.206 1.00 0.00 H new ATOM 0 HG LEU A 67 6.509 1.153 12.504 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.200 1.871 10.873 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.556 0.261 11.543 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.878 0.412 9.905 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.851 2.658 10.675 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.375 1.252 9.695 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.507 1.620 11.204 1.00 0.00 H new ATOM 1039 N GLY A 68 4.199 -3.028 10.919 1.00 0.00 N ATOM 1040 CA GLY A 68 3.626 -4.349 11.110 1.00 0.00 C ATOM 1041 C GLY A 68 3.436 -5.063 9.771 1.00 0.00 C ATOM 1042 O GLY A 68 3.681 -6.263 9.662 1.00 0.00 O ATOM 0 H GLY A 68 3.616 -2.259 11.250 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.276 -4.942 11.753 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.666 -4.263 11.620 1.00 0.00 H new ATOM 1046 N LEU A 69 3.001 -4.294 8.783 1.00 0.00 N ATOM 1047 CA LEU A 69 2.775 -4.838 7.455 1.00 0.00 C ATOM 1048 C LEU A 69 4.056 -5.514 6.960 1.00 0.00 C ATOM 1049 O LEU A 69 4.019 -6.642 6.472 1.00 0.00 O ATOM 1050 CB LEU A 69 2.250 -3.753 6.513 1.00 0.00 C ATOM 1051 CG LEU A 69 0.833 -3.961 5.973 1.00 0.00 C ATOM 1052 CD1 LEU A 69 -0.187 -4.001 7.113 1.00 0.00 C ATOM 1053 CD2 LEU A 69 0.484 -2.901 4.928 1.00 0.00 C ATOM 0 H LEU A 69 2.799 -3.299 8.876 1.00 0.00 H new ATOM 0 HA LEU A 69 2.000 -5.604 7.485 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.281 -2.798 7.038 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.932 -3.674 5.666 1.00 0.00 H new ATOM 0 HG LEU A 69 0.796 -4.929 5.474 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.186 -4.150 6.703 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.054 -4.822 7.788 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.157 -3.060 7.662 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.528 -3.072 4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.544 -1.911 5.380 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.187 -2.964 4.097 1.00 0.00 H new ATOM 1065 N LEU A 70 5.160 -4.794 7.105 1.00 0.00 N ATOM 1066 CA LEU A 70 6.450 -5.310 6.678 1.00 0.00 C ATOM 1067 C LEU A 70 6.724 -6.637 7.390 1.00 0.00 C ATOM 1068 O LEU A 70 6.727 -7.694 6.760 1.00 0.00 O ATOM 1069 CB LEU A 70 7.543 -4.261 6.891 1.00 0.00 C ATOM 1070 CG LEU A 70 8.939 -4.637 6.391 1.00 0.00 C ATOM 1071 CD1 LEU A 70 9.978 -3.609 6.844 1.00 0.00 C ATOM 1072 CD2 LEU A 70 9.312 -6.057 6.821 1.00 0.00 C ATOM 0 H LEU A 70 5.187 -3.859 7.512 1.00 0.00 H new ATOM 0 HA LEU A 70 6.443 -5.517 5.608 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.237 -3.340 6.395 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.607 -4.043 7.957 1.00 0.00 H new ATOM 0 HG LEU A 70 8.927 -4.624 5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.962 -3.899 6.476 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.717 -2.628 6.447 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.997 -3.566 7.933 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.309 -6.299 6.452 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.302 -6.122 7.909 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.592 -6.763 6.408 1.00 0.00 H new ATOM 1084 N GLN A 71 6.947 -6.538 8.693 1.00 0.00 N ATOM 1085 CA GLN A 71 7.221 -7.718 9.495 1.00 0.00 C ATOM 1086 C GLN A 71 6.266 -8.851 9.119 1.00 0.00 C ATOM 1087 O GLN A 71 6.630 -10.024 9.185 1.00 0.00 O ATOM 1088 CB GLN A 71 7.131 -7.397 10.989 1.00 0.00 C ATOM 1089 CG GLN A 71 7.964 -6.163 11.337 1.00 0.00 C ATOM 1090 CD GLN A 71 8.510 -6.253 12.763 1.00 0.00 C ATOM 1091 OE1 GLN A 71 9.175 -7.203 13.142 1.00 0.00 O ATOM 1092 NE2 GLN A 71 8.191 -5.215 13.531 1.00 0.00 N ATOM 0 H GLN A 71 6.943 -5.660 9.212 1.00 0.00 H new ATOM 0 HA GLN A 71 8.239 -8.046 9.287 1.00 0.00 H new ATOM 0 HB2 GLN A 71 6.090 -7.227 11.266 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.480 -8.251 11.569 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.791 -6.068 10.633 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.353 -5.267 11.234 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.631 -4.452 13.151 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.507 -5.182 14.500 1.00 0.00 H new ATOM 1101 N ALA A 72 5.059 -8.460 8.731 1.00 0.00 N ATOM 1102 CA ALA A 72 4.048 -9.430 8.344 1.00 0.00 C ATOM 1103 C ALA A 72 4.506 -10.160 7.080 1.00 0.00 C ATOM 1104 O ALA A 72 4.491 -11.389 7.030 1.00 0.00 O ATOM 1105 CB ALA A 72 2.707 -8.719 8.153 1.00 0.00 C ATOM 0 H ALA A 72 4.760 -7.486 8.677 1.00 0.00 H new ATOM 0 HA ALA A 72 3.913 -10.178 9.126 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.948 -9.446 7.863 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.413 -8.240 9.087 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.803 -7.964 7.373 1.00 0.00 H new ATOM 1111 N VAL A 73 4.902 -9.373 6.090 1.00 0.00 N ATOM 1112 CA VAL A 73 5.363 -9.930 4.831 1.00 0.00 C ATOM 1113 C VAL A 73 6.554 -10.854 5.091 1.00 0.00 C ATOM 1114 O VAL A 73 6.565 -11.999 4.643 1.00 0.00 O ATOM 1115 CB VAL A 73 5.684 -8.803 3.846 1.00 0.00 C ATOM 1116 CG1 VAL A 73 4.794 -7.585 4.099 1.00 0.00 C ATOM 1117 CG2 VAL A 73 7.165 -8.423 3.913 1.00 0.00 C ATOM 0 H VAL A 73 4.913 -8.354 6.135 1.00 0.00 H new ATOM 0 HA VAL A 73 4.580 -10.532 4.371 1.00 0.00 H new ATOM 0 HB VAL A 73 5.476 -9.167 2.840 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.042 -6.799 3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.748 -7.867 3.978 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.957 -7.220 5.113 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.367 -7.620 3.204 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.409 -8.087 4.921 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.775 -9.291 3.662 1.00 0.00 H new ATOM 1127 N ARG A 74 7.527 -10.321 5.814 1.00 0.00 N ATOM 1128 CA ARG A 74 8.721 -11.084 6.141 1.00 0.00 C ATOM 1129 C ARG A 74 8.358 -12.544 6.420 1.00 0.00 C ATOM 1130 O ARG A 74 9.157 -13.444 6.170 1.00 0.00 O ATOM 1131 CB ARG A 74 9.432 -10.499 7.363 1.00 0.00 C ATOM 1132 CG ARG A 74 9.791 -9.029 7.136 1.00 0.00 C ATOM 1133 CD ARG A 74 10.135 -8.768 5.669 1.00 0.00 C ATOM 1134 NE ARG A 74 11.219 -9.678 5.233 1.00 0.00 N ATOM 1135 CZ ARG A 74 11.663 -9.768 3.972 1.00 0.00 C ATOM 1136 NH1 ARG A 74 11.119 -9.004 3.014 1.00 0.00 N ATOM 1137 NH2 ARG A 74 12.650 -10.621 3.669 1.00 0.00 N ATOM 0 H ARG A 74 7.514 -9.370 6.183 1.00 0.00 H new ATOM 0 HA ARG A 74 9.393 -11.031 5.285 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.790 -10.589 8.240 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.337 -11.070 7.570 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.955 -8.397 7.435 1.00 0.00 H new ATOM 0 HG3 ARG A 74 10.638 -8.757 7.766 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.252 -8.917 5.048 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.445 -7.731 5.539 1.00 0.00 H new ATOM 0 HE ARG A 74 11.655 -10.274 5.937 1.00 0.00 H new ATOM 0 HH11 ARG A 74 10.367 -8.354 3.245 1.00 0.00 H new ATOM 0 HH12 ARG A 74 11.457 -9.072 2.054 1.00 0.00 H new ATOM 0 HH21 ARG A 74 13.064 -11.202 4.398 1.00 0.00 H new ATOM 0 HH22 ARG A 74 12.988 -10.690 2.709 1.00 0.00 H new ATOM 1151 N ALA A 75 7.152 -12.732 6.935 1.00 0.00 N ATOM 1152 CA ALA A 75 6.673 -14.066 7.251 1.00 0.00 C ATOM 1153 C ALA A 75 6.055 -14.692 5.999 1.00 0.00 C ATOM 1154 O ALA A 75 6.418 -15.802 5.611 1.00 0.00 O ATOM 1155 CB ALA A 75 5.683 -13.991 8.415 1.00 0.00 C ATOM 0 H ALA A 75 6.492 -11.982 7.141 1.00 0.00 H new ATOM 0 HA ALA A 75 7.498 -14.705 7.566 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.324 -14.992 8.652 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.179 -13.568 9.288 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.840 -13.360 8.135 1.00 0.00 H new ATOM 1161 N ASN A 76 5.131 -13.953 5.402 1.00 0.00 N ATOM 1162 CA ASN A 76 4.460 -14.422 4.202 1.00 0.00 C ATOM 1163 C ASN A 76 5.197 -13.894 2.970 1.00 0.00 C ATOM 1164 O ASN A 76 5.348 -12.684 2.803 1.00 0.00 O ATOM 1165 CB ASN A 76 3.018 -13.912 4.143 1.00 0.00 C ATOM 1166 CG ASN A 76 2.024 -15.053 4.371 1.00 0.00 C ATOM 1167 OD1 ASN A 76 2.134 -16.130 3.807 1.00 0.00 O ATOM 1168 ND2 ASN A 76 1.049 -14.759 5.227 1.00 0.00 N ATOM 0 H ASN A 76 4.832 -13.034 5.727 1.00 0.00 H new ATOM 0 HA ASN A 76 4.458 -15.512 4.221 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.870 -13.140 4.898 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.831 -13.450 3.174 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.336 -15.454 5.446 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.015 -13.838 5.665 1.00 0.00 H new ATOM 1175 N PRO A 77 5.651 -14.851 2.118 1.00 0.00 N ATOM 1176 CA PRO A 77 6.371 -14.495 0.906 1.00 0.00 C ATOM 1177 C PRO A 77 5.415 -13.952 -0.158 1.00 0.00 C ATOM 1178 O PRO A 77 5.851 -13.347 -1.137 1.00 0.00 O ATOM 1179 CB PRO A 77 7.073 -15.772 0.476 1.00 0.00 C ATOM 1180 CG PRO A 77 6.355 -16.905 1.191 1.00 0.00 C ATOM 1181 CD PRO A 77 5.492 -16.294 2.283 1.00 0.00 C ATOM 0 HA PRO A 77 7.093 -13.694 1.065 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.024 -15.899 -0.605 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.129 -15.747 0.746 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.741 -17.470 0.490 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.074 -17.603 1.619 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.449 -16.592 2.177 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.817 -16.618 3.272 1.00 0.00 H new ATOM 1189 N ALA A 78 4.132 -14.185 0.069 1.00 0.00 N ATOM 1190 CA ALA A 78 3.111 -13.725 -0.858 1.00 0.00 C ATOM 1191 C ALA A 78 3.086 -12.196 -0.865 1.00 0.00 C ATOM 1192 O ALA A 78 3.043 -11.576 -1.926 1.00 0.00 O ATOM 1193 CB ALA A 78 1.759 -14.329 -0.471 1.00 0.00 C ATOM 0 H ALA A 78 3.775 -14.687 0.882 1.00 0.00 H new ATOM 0 HA ALA A 78 3.337 -14.055 -1.872 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.994 -13.984 -1.166 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.822 -15.416 -0.511 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.497 -14.017 0.540 1.00 0.00 H new ATOM 1199 N THR A 79 3.113 -11.630 0.333 1.00 0.00 N ATOM 1200 CA THR A 79 3.094 -10.184 0.479 1.00 0.00 C ATOM 1201 C THR A 79 4.519 -9.628 0.464 1.00 0.00 C ATOM 1202 O THR A 79 4.729 -8.457 0.151 1.00 0.00 O ATOM 1203 CB THR A 79 2.323 -9.848 1.757 1.00 0.00 C ATOM 1204 OG1 THR A 79 2.887 -8.612 2.187 1.00 0.00 O ATOM 1205 CG2 THR A 79 2.634 -10.817 2.900 1.00 0.00 C ATOM 0 H THR A 79 3.148 -12.147 1.212 1.00 0.00 H new ATOM 0 HA THR A 79 2.585 -9.708 -0.359 1.00 0.00 H new ATOM 0 HB THR A 79 1.253 -9.862 1.550 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.192 -8.064 2.607 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.061 -10.534 3.783 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.364 -11.830 2.602 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.699 -10.778 3.130 1.00 0.00 H new ATOM 1213 N LYS A 80 5.461 -10.494 0.807 1.00 0.00 N ATOM 1214 CA LYS A 80 6.861 -10.103 0.837 1.00 0.00 C ATOM 1215 C LYS A 80 7.275 -9.598 -0.546 1.00 0.00 C ATOM 1216 O LYS A 80 8.258 -8.871 -0.677 1.00 0.00 O ATOM 1217 CB LYS A 80 7.727 -11.253 1.357 1.00 0.00 C ATOM 1218 CG LYS A 80 8.489 -11.925 0.212 1.00 0.00 C ATOM 1219 CD LYS A 80 9.822 -11.222 -0.046 1.00 0.00 C ATOM 1220 CE LYS A 80 10.211 -11.309 -1.523 1.00 0.00 C ATOM 1221 NZ LYS A 80 10.625 -12.687 -1.869 1.00 0.00 N ATOM 0 H LYS A 80 5.283 -11.464 1.066 1.00 0.00 H new ATOM 0 HA LYS A 80 7.012 -9.280 1.535 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.433 -10.876 2.097 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.099 -11.987 1.861 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.667 -12.973 0.455 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.883 -11.906 -0.694 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.750 -10.177 0.254 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.601 -11.676 0.566 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.368 -11.009 -2.146 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.025 -10.615 -1.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.886 -12.729 -2.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.443 -12.960 -1.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.838 -13.342 -1.688 1.00 0.00 H new ATOM 1235 N LYS A 81 6.504 -10.003 -1.544 1.00 0.00 N ATOM 1236 CA LYS A 81 6.778 -9.601 -2.914 1.00 0.00 C ATOM 1237 C LYS A 81 5.802 -8.496 -3.321 1.00 0.00 C ATOM 1238 O LYS A 81 5.852 -8.002 -4.447 1.00 0.00 O ATOM 1239 CB LYS A 81 6.755 -10.815 -3.843 1.00 0.00 C ATOM 1240 CG LYS A 81 5.423 -10.909 -4.591 1.00 0.00 C ATOM 1241 CD LYS A 81 5.199 -12.320 -5.137 1.00 0.00 C ATOM 1242 CE LYS A 81 3.887 -12.908 -4.613 1.00 0.00 C ATOM 1243 NZ LYS A 81 3.118 -13.526 -5.717 1.00 0.00 N ATOM 0 H LYS A 81 5.689 -10.606 -1.432 1.00 0.00 H new ATOM 0 HA LYS A 81 7.782 -9.186 -2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.574 -10.745 -4.559 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.915 -11.724 -3.263 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.606 -10.641 -3.921 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.411 -10.192 -5.412 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.181 -12.294 -6.227 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.031 -12.962 -4.848 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.097 -13.654 -3.846 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.293 -12.125 -4.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.231 -13.920 -5.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.902 -12.806 -6.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.680 -14.287 -6.148 1.00 0.00 H new ATOM 1257 N ALA A 82 4.937 -8.139 -2.383 1.00 0.00 N ATOM 1258 CA ALA A 82 3.950 -7.101 -2.630 1.00 0.00 C ATOM 1259 C ALA A 82 4.416 -5.797 -1.980 1.00 0.00 C ATOM 1260 O ALA A 82 5.095 -5.818 -0.955 1.00 0.00 O ATOM 1261 CB ALA A 82 2.587 -7.559 -2.109 1.00 0.00 C ATOM 0 H ALA A 82 4.899 -8.550 -1.450 1.00 0.00 H new ATOM 0 HA ALA A 82 3.844 -6.917 -3.699 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.847 -6.781 -2.294 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.289 -8.473 -2.623 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.652 -7.750 -1.038 1.00 0.00 H new ATOM 1267 N ALA A 83 4.030 -4.692 -2.602 1.00 0.00 N ATOM 1268 CA ALA A 83 4.399 -3.381 -2.097 1.00 0.00 C ATOM 1269 C ALA A 83 3.289 -2.861 -1.181 1.00 0.00 C ATOM 1270 O ALA A 83 2.221 -3.464 -1.091 1.00 0.00 O ATOM 1271 CB ALA A 83 4.674 -2.440 -3.272 1.00 0.00 C ATOM 0 H ALA A 83 3.465 -4.678 -3.451 1.00 0.00 H new ATOM 0 HA ALA A 83 5.313 -3.441 -1.506 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.951 -1.456 -2.893 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.490 -2.839 -3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.778 -2.353 -3.886 1.00 0.00 H new ATOM 1277 N PHE A 84 3.580 -1.748 -0.525 1.00 0.00 N ATOM 1278 CA PHE A 84 2.621 -1.141 0.381 1.00 0.00 C ATOM 1279 C PHE A 84 2.786 0.381 0.416 1.00 0.00 C ATOM 1280 O PHE A 84 3.906 0.885 0.489 1.00 0.00 O ATOM 1281 CB PHE A 84 2.902 -1.704 1.776 1.00 0.00 C ATOM 1282 CG PHE A 84 3.800 -2.943 1.776 1.00 0.00 C ATOM 1283 CD1 PHE A 84 3.284 -4.157 1.443 1.00 0.00 C ATOM 1284 CD2 PHE A 84 5.113 -2.831 2.109 1.00 0.00 C ATOM 1285 CE1 PHE A 84 4.117 -5.307 1.444 1.00 0.00 C ATOM 1286 CE2 PHE A 84 5.946 -3.980 2.110 1.00 0.00 C ATOM 1287 CZ PHE A 84 5.431 -5.194 1.776 1.00 0.00 C ATOM 0 H PHE A 84 4.467 -1.250 -0.603 1.00 0.00 H new ATOM 0 HA PHE A 84 1.606 -1.363 0.050 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.370 -0.928 2.382 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.955 -1.954 2.254 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.241 -4.246 1.178 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.523 -1.867 2.373 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.707 -6.271 1.181 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.989 -3.891 2.376 1.00 0.00 H new ATOM 0 HZ PHE A 84 6.066 -6.068 1.774 1.00 0.00 H new ATOM 1297 N ILE A 85 1.655 1.069 0.362 1.00 0.00 N ATOM 1298 CA ILE A 85 1.661 2.521 0.387 1.00 0.00 C ATOM 1299 C ILE A 85 1.120 3.006 1.734 1.00 0.00 C ATOM 1300 O ILE A 85 0.080 2.538 2.194 1.00 0.00 O ATOM 1301 CB ILE A 85 0.901 3.080 -0.819 1.00 0.00 C ATOM 1302 CG1 ILE A 85 1.372 2.422 -2.117 1.00 0.00 C ATOM 1303 CG2 ILE A 85 1.011 4.605 -0.877 1.00 0.00 C ATOM 1304 CD1 ILE A 85 0.668 3.033 -3.329 1.00 0.00 C ATOM 0 H ILE A 85 0.728 0.647 0.301 1.00 0.00 H new ATOM 0 HA ILE A 85 2.679 2.900 0.297 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.155 2.837 -0.700 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.450 2.543 -2.219 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.174 1.351 -2.079 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.463 4.977 -1.743 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.590 5.035 0.032 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.059 4.891 -0.961 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.021 2.547 -4.238 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.408 2.889 -3.235 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.888 4.099 -3.378 1.00 0.00 H new ATOM 1316 N ILE A 86 1.851 3.939 2.327 1.00 0.00 N ATOM 1317 CA ILE A 86 1.458 4.493 3.611 1.00 0.00 C ATOM 1318 C ILE A 86 1.401 6.018 3.508 1.00 0.00 C ATOM 1319 O ILE A 86 2.434 6.674 3.382 1.00 0.00 O ATOM 1320 CB ILE A 86 2.382 3.985 4.719 1.00 0.00 C ATOM 1321 CG1 ILE A 86 2.747 2.515 4.498 1.00 0.00 C ATOM 1322 CG2 ILE A 86 1.765 4.221 6.100 1.00 0.00 C ATOM 1323 CD1 ILE A 86 1.529 1.611 4.703 1.00 0.00 C ATOM 0 H ILE A 86 2.713 4.325 1.942 1.00 0.00 H new ATOM 0 HA ILE A 86 0.458 4.154 3.882 1.00 0.00 H new ATOM 0 HB ILE A 86 3.309 4.557 4.679 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.138 2.381 3.489 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.540 2.226 5.188 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.443 3.851 6.869 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.598 5.288 6.246 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.814 3.692 6.169 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.815 0.572 4.540 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.155 1.729 5.720 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.748 1.887 3.995 1.00 0.00 H new ATOM 1335 N LEU A 87 0.184 6.539 3.566 1.00 0.00 N ATOM 1336 CA LEU A 87 -0.020 7.975 3.481 1.00 0.00 C ATOM 1337 C LEU A 87 -0.823 8.445 4.696 1.00 0.00 C ATOM 1338 O LEU A 87 -1.401 7.631 5.414 1.00 0.00 O ATOM 1339 CB LEU A 87 -0.658 8.347 2.141 1.00 0.00 C ATOM 1340 CG LEU A 87 -2.187 8.406 2.120 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -2.792 7.074 2.565 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -2.703 9.578 2.956 1.00 0.00 C ATOM 0 H LEU A 87 -0.671 5.992 3.671 1.00 0.00 H new ATOM 0 HA LEU A 87 0.936 8.498 3.509 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.272 9.319 1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.332 7.625 1.393 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.508 8.579 1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.880 7.142 2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.463 6.282 1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.465 6.847 3.580 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.792 9.596 2.924 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.373 9.462 3.988 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.312 10.512 2.553 1.00 0.00 H new ATOM 1354 N THR A 88 -0.833 9.756 4.888 1.00 0.00 N ATOM 1355 CA THR A 88 -1.555 10.343 6.003 1.00 0.00 C ATOM 1356 C THR A 88 -2.232 11.646 5.573 1.00 0.00 C ATOM 1357 O THR A 88 -2.041 12.108 4.448 1.00 0.00 O ATOM 1358 CB THR A 88 -0.572 10.523 7.161 1.00 0.00 C ATOM 1359 OG1 THR A 88 -1.331 11.202 8.158 1.00 0.00 O ATOM 1360 CG2 THR A 88 0.558 11.497 6.825 1.00 0.00 C ATOM 0 H THR A 88 -0.352 10.428 4.290 1.00 0.00 H new ATOM 0 HA THR A 88 -2.360 9.690 6.340 1.00 0.00 H new ATOM 0 HB THR A 88 -0.148 9.556 7.430 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.770 11.358 8.946 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.227 11.588 7.681 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.116 11.124 5.966 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.138 12.474 6.588 1.00 0.00 H new ATOM 1368 N ALA A 89 -3.009 12.203 6.490 1.00 0.00 N ATOM 1369 CA ALA A 89 -3.716 13.443 6.220 1.00 0.00 C ATOM 1370 C ALA A 89 -2.706 14.525 5.833 1.00 0.00 C ATOM 1371 O ALA A 89 -3.077 15.549 5.260 1.00 0.00 O ATOM 1372 CB ALA A 89 -4.548 13.834 7.444 1.00 0.00 C ATOM 0 H ALA A 89 -3.165 11.818 7.422 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.404 13.319 5.384 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.078 14.764 7.241 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.269 13.045 7.661 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.890 13.971 8.302 1.00 0.00 H new ATOM 1378 N GLN A 90 -1.450 14.263 6.160 1.00 0.00 N ATOM 1379 CA GLN A 90 -0.383 15.201 5.854 1.00 0.00 C ATOM 1380 C GLN A 90 0.663 14.541 4.954 1.00 0.00 C ATOM 1381 O GLN A 90 0.597 14.657 3.730 1.00 0.00 O ATOM 1382 CB GLN A 90 0.257 15.741 7.134 1.00 0.00 C ATOM 1383 CG GLN A 90 -0.647 16.780 7.803 1.00 0.00 C ATOM 1384 CD GLN A 90 0.145 18.033 8.180 1.00 0.00 C ATOM 1385 OE1 GLN A 90 0.412 18.306 9.339 1.00 0.00 O ATOM 1386 NE2 GLN A 90 0.504 18.779 7.139 1.00 0.00 N ATOM 0 H GLN A 90 -1.146 13.413 6.635 1.00 0.00 H new ATOM 0 HA GLN A 90 -0.813 16.047 5.318 1.00 0.00 H new ATOM 0 HB2 GLN A 90 0.446 14.919 7.825 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.222 16.190 6.901 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.460 17.048 7.128 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.102 16.351 8.696 1.00 0.00 H new ATOM 0 HE21 GLN A 90 0.248 18.493 6.194 1.00 0.00 H new ATOM 0 HE22 GLN A 90 1.035 19.637 7.286 1.00 0.00 H new ATOM 1395 N GLY A 91 1.604 13.863 5.593 1.00 0.00 N ATOM 1396 CA GLY A 91 2.663 13.184 4.866 1.00 0.00 C ATOM 1397 C GLY A 91 3.841 12.862 5.788 1.00 0.00 C ATOM 1398 O GLY A 91 4.251 13.697 6.592 1.00 0.00 O ATOM 0 H GLY A 91 1.655 13.769 6.607 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.276 12.263 4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 91 3.003 13.811 4.041 1.00 0.00 H new ATOM 1402 N ASP A 92 4.353 11.649 5.637 1.00 0.00 N ATOM 1403 CA ASP A 92 5.477 11.206 6.446 1.00 0.00 C ATOM 1404 C ASP A 92 6.434 10.390 5.576 1.00 0.00 C ATOM 1405 O ASP A 92 6.418 9.160 5.615 1.00 0.00 O ATOM 1406 CB ASP A 92 5.009 10.316 7.598 1.00 0.00 C ATOM 1407 CG ASP A 92 4.025 10.976 8.567 1.00 0.00 C ATOM 1408 OD1 ASP A 92 4.490 11.826 9.357 1.00 0.00 O ATOM 1409 OD2 ASP A 92 2.830 10.616 8.495 1.00 0.00 O ATOM 0 H ASP A 92 4.011 10.960 4.967 1.00 0.00 H new ATOM 0 HA ASP A 92 5.971 12.089 6.851 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.542 9.424 7.181 1.00 0.00 H new ATOM 0 HB3 ASP A 92 5.883 9.986 8.160 1.00 0.00 H new ATOM 1414 N ARG A 93 7.246 11.105 4.811 1.00 0.00 N ATOM 1415 CA ARG A 93 8.209 10.462 3.934 1.00 0.00 C ATOM 1416 C ARG A 93 9.172 9.595 4.747 1.00 0.00 C ATOM 1417 O ARG A 93 9.592 8.532 4.291 1.00 0.00 O ATOM 1418 CB ARG A 93 9.010 11.498 3.142 1.00 0.00 C ATOM 1419 CG ARG A 93 8.392 11.731 1.762 1.00 0.00 C ATOM 1420 CD ARG A 93 7.980 13.194 1.586 1.00 0.00 C ATOM 1421 NE ARG A 93 6.992 13.570 2.621 1.00 0.00 N ATOM 1422 CZ ARG A 93 6.688 14.834 2.946 1.00 0.00 C ATOM 1423 NH1 ARG A 93 7.294 15.851 2.319 1.00 0.00 N ATOM 1424 NH2 ARG A 93 5.778 15.081 3.898 1.00 0.00 N ATOM 0 H ARG A 93 7.256 12.124 4.781 1.00 0.00 H new ATOM 0 HA ARG A 93 7.654 9.836 3.235 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.042 12.438 3.694 1.00 0.00 H new ATOM 0 HB3 ARG A 93 10.040 11.159 3.031 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.108 11.455 0.988 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.522 11.087 1.636 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.856 13.838 1.657 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.554 13.344 0.594 1.00 0.00 H new ATOM 0 HE ARG A 93 6.512 12.820 3.118 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.987 15.663 1.594 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.063 16.813 2.566 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.316 14.307 4.376 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.547 16.043 4.145 1.00 0.00 H new ATOM 1438 N ALA A 94 9.494 10.081 5.937 1.00 0.00 N ATOM 1439 CA ALA A 94 10.400 9.363 6.818 1.00 0.00 C ATOM 1440 C ALA A 94 9.746 8.051 7.255 1.00 0.00 C ATOM 1441 O ALA A 94 10.405 7.014 7.311 1.00 0.00 O ATOM 1442 CB ALA A 94 10.771 10.254 8.005 1.00 0.00 C ATOM 0 H ALA A 94 9.144 10.963 6.312 1.00 0.00 H new ATOM 0 HA ALA A 94 11.324 9.113 6.297 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.450 9.716 8.666 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.259 11.159 7.642 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.869 10.523 8.554 1.00 0.00 H new ATOM 1448 N LEU A 95 8.459 8.139 7.554 1.00 0.00 N ATOM 1449 CA LEU A 95 7.708 6.972 7.985 1.00 0.00 C ATOM 1450 C LEU A 95 7.768 5.901 6.893 1.00 0.00 C ATOM 1451 O LEU A 95 8.052 4.738 7.174 1.00 0.00 O ATOM 1452 CB LEU A 95 6.285 7.367 8.382 1.00 0.00 C ATOM 1453 CG LEU A 95 6.141 8.105 9.715 1.00 0.00 C ATOM 1454 CD1 LEU A 95 5.798 7.133 10.847 1.00 0.00 C ATOM 1455 CD2 LEU A 95 7.394 8.926 10.025 1.00 0.00 C ATOM 0 H LEU A 95 7.916 9.001 7.506 1.00 0.00 H new ATOM 0 HA LEU A 95 8.155 6.540 8.881 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.871 7.996 7.594 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.676 6.464 8.422 1.00 0.00 H new ATOM 0 HG LEU A 95 5.310 8.805 9.629 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.701 7.684 11.783 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.857 6.631 10.623 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.591 6.391 10.943 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.266 9.440 10.977 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.258 8.264 10.084 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.553 9.660 9.235 1.00 0.00 H new ATOM 1467 N VAL A 96 7.495 6.333 5.670 1.00 0.00 N ATOM 1468 CA VAL A 96 7.514 5.426 4.535 1.00 0.00 C ATOM 1469 C VAL A 96 8.928 4.872 4.355 1.00 0.00 C ATOM 1470 O VAL A 96 9.135 3.661 4.410 1.00 0.00 O ATOM 1471 CB VAL A 96 6.987 6.139 3.288 1.00 0.00 C ATOM 1472 CG1 VAL A 96 7.769 5.714 2.043 1.00 0.00 C ATOM 1473 CG2 VAL A 96 5.489 5.889 3.106 1.00 0.00 C ATOM 0 H VAL A 96 7.260 7.299 5.441 1.00 0.00 H new ATOM 0 HA VAL A 96 6.853 4.578 4.712 1.00 0.00 H new ATOM 0 HB VAL A 96 7.133 7.210 3.427 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.375 6.235 1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 96 8.822 5.966 2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.668 4.638 1.900 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.140 6.407 2.213 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.309 4.819 2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.949 6.263 3.976 1.00 0.00 H new ATOM 1483 N GLN A 97 9.864 5.784 4.143 1.00 0.00 N ATOM 1484 CA GLN A 97 11.253 5.402 3.953 1.00 0.00 C ATOM 1485 C GLN A 97 11.710 4.480 5.086 1.00 0.00 C ATOM 1486 O GLN A 97 12.617 3.671 4.905 1.00 0.00 O ATOM 1487 CB GLN A 97 12.154 6.634 3.854 1.00 0.00 C ATOM 1488 CG GLN A 97 11.847 7.437 2.588 1.00 0.00 C ATOM 1489 CD GLN A 97 13.114 7.666 1.763 1.00 0.00 C ATOM 1490 OE1 GLN A 97 13.530 8.785 1.513 1.00 0.00 O ATOM 1491 NE2 GLN A 97 13.703 6.546 1.354 1.00 0.00 N ATOM 0 H GLN A 97 9.688 6.788 4.098 1.00 0.00 H new ATOM 0 HA GLN A 97 11.333 4.858 3.012 1.00 0.00 H new ATOM 0 HB2 GLN A 97 12.012 7.264 4.732 1.00 0.00 H new ATOM 0 HB3 GLN A 97 13.199 6.325 3.849 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.108 6.907 1.987 1.00 0.00 H new ATOM 0 HG3 GLN A 97 11.407 8.397 2.860 1.00 0.00 H new ATOM 0 HE21 GLN A 97 13.302 5.640 1.598 1.00 0.00 H new ATOM 0 HE22 GLN A 97 14.556 6.593 0.796 1.00 0.00 H new ATOM 1500 N LYS A 98 11.057 4.633 6.229 1.00 0.00 N ATOM 1501 CA LYS A 98 11.383 3.825 7.392 1.00 0.00 C ATOM 1502 C LYS A 98 10.939 2.382 7.145 1.00 0.00 C ATOM 1503 O LYS A 98 11.712 1.447 7.352 1.00 0.00 O ATOM 1504 CB LYS A 98 10.789 4.442 8.658 1.00 0.00 C ATOM 1505 CG LYS A 98 11.862 5.170 9.470 1.00 0.00 C ATOM 1506 CD LYS A 98 11.377 5.452 10.893 1.00 0.00 C ATOM 1507 CE LYS A 98 12.102 6.660 11.491 1.00 0.00 C ATOM 1508 NZ LYS A 98 12.723 6.302 12.786 1.00 0.00 N ATOM 0 H LYS A 98 10.303 5.305 6.374 1.00 0.00 H new ATOM 0 HA LYS A 98 12.461 3.805 7.551 1.00 0.00 H new ATOM 0 HB2 LYS A 98 9.996 5.140 8.389 1.00 0.00 H new ATOM 0 HB3 LYS A 98 10.334 3.662 9.268 1.00 0.00 H new ATOM 0 HG2 LYS A 98 12.769 4.566 9.504 1.00 0.00 H new ATOM 0 HG3 LYS A 98 12.121 6.107 8.978 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.303 5.636 10.885 1.00 0.00 H new ATOM 0 HD3 LYS A 98 11.546 4.576 11.519 1.00 0.00 H new ATOM 0 HE2 LYS A 98 12.867 7.012 10.799 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.399 7.481 11.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 13.211 7.132 13.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.986 5.988 13.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 13.409 5.534 12.641 1.00 0.00 H new ATOM 1522 N ALA A 99 9.697 2.245 6.705 1.00 0.00 N ATOM 1523 CA ALA A 99 9.142 0.931 6.427 1.00 0.00 C ATOM 1524 C ALA A 99 10.029 0.212 5.410 1.00 0.00 C ATOM 1525 O ALA A 99 10.472 -0.911 5.652 1.00 0.00 O ATOM 1526 CB ALA A 99 7.699 1.080 5.941 1.00 0.00 C ATOM 0 H ALA A 99 9.059 3.022 6.534 1.00 0.00 H new ATOM 0 HA ALA A 99 9.120 0.324 7.332 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.282 0.095 5.732 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.104 1.570 6.712 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.681 1.681 5.032 1.00 0.00 H new ATOM 1532 N ALA A 100 10.261 0.886 4.294 1.00 0.00 N ATOM 1533 CA ALA A 100 11.088 0.324 3.239 1.00 0.00 C ATOM 1534 C ALA A 100 12.444 -0.079 3.820 1.00 0.00 C ATOM 1535 O ALA A 100 12.927 -1.183 3.570 1.00 0.00 O ATOM 1536 CB ALA A 100 11.220 1.338 2.100 1.00 0.00 C ATOM 0 H ALA A 100 9.891 1.816 4.097 1.00 0.00 H new ATOM 0 HA ALA A 100 10.627 -0.573 2.826 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.840 0.917 1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.232 1.569 1.703 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.682 2.250 2.477 1.00 0.00 H new ATOM 1542 N ALA A 101 13.022 0.836 4.585 1.00 0.00 N ATOM 1543 CA ALA A 101 14.312 0.589 5.204 1.00 0.00 C ATOM 1544 C ALA A 101 14.190 -0.583 6.180 1.00 0.00 C ATOM 1545 O ALA A 101 15.043 -1.469 6.202 1.00 0.00 O ATOM 1546 CB ALA A 101 14.805 1.866 5.886 1.00 0.00 C ATOM 0 H ALA A 101 12.619 1.750 4.790 1.00 0.00 H new ATOM 0 HA ALA A 101 15.051 0.315 4.451 1.00 0.00 H new ATOM 0 HB1 ALA A 101 15.773 1.680 6.350 1.00 0.00 H new ATOM 0 HB2 ALA A 101 14.904 2.659 5.145 1.00 0.00 H new ATOM 0 HB3 ALA A 101 14.089 2.170 6.649 1.00 0.00 H new ATOM 1552 N LEU A 102 13.121 -0.551 6.961 1.00 0.00 N ATOM 1553 CA LEU A 102 12.875 -1.600 7.937 1.00 0.00 C ATOM 1554 C LEU A 102 13.171 -2.961 7.302 1.00 0.00 C ATOM 1555 O LEU A 102 13.921 -3.759 7.859 1.00 0.00 O ATOM 1556 CB LEU A 102 11.459 -1.481 8.506 1.00 0.00 C ATOM 1557 CG LEU A 102 11.185 -0.249 9.369 1.00 0.00 C ATOM 1558 CD1 LEU A 102 10.477 -0.636 10.669 1.00 0.00 C ATOM 1559 CD2 LEU A 102 12.473 0.536 9.631 1.00 0.00 C ATOM 0 H LEU A 102 12.415 0.185 6.938 1.00 0.00 H new ATOM 0 HA LEU A 102 13.546 -1.493 8.789 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.754 -1.482 7.675 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.252 -2.370 9.101 1.00 0.00 H new ATOM 0 HG LEU A 102 10.513 0.409 8.819 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.294 0.259 11.264 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.527 -1.118 10.437 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.105 -1.325 11.234 1.00 0.00 H new ATOM 0 HD21 LEU A 102 12.249 1.407 10.247 1.00 0.00 H new ATOM 0 HD22 LEU A 102 13.188 -0.102 10.150 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.900 0.862 8.682 1.00 0.00 H new ATOM 1571 N GLY A 103 12.564 -3.182 6.145 1.00 0.00 N ATOM 1572 CA GLY A 103 12.753 -4.432 5.429 1.00 0.00 C ATOM 1573 C GLY A 103 11.522 -4.772 4.586 1.00 0.00 C ATOM 1574 O GLY A 103 11.115 -5.930 4.513 1.00 0.00 O ATOM 0 H GLY A 103 11.941 -2.517 5.686 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.630 -4.358 4.786 1.00 0.00 H new ATOM 0 HA3 GLY A 103 12.946 -5.236 6.139 1.00 0.00 H new ATOM 1578 N ALA A 104 10.965 -3.740 3.968 1.00 0.00 N ATOM 1579 CA ALA A 104 9.788 -3.916 3.133 1.00 0.00 C ATOM 1580 C ALA A 104 10.224 -4.091 1.677 1.00 0.00 C ATOM 1581 O ALA A 104 11.317 -3.674 1.297 1.00 0.00 O ATOM 1582 CB ALA A 104 8.847 -2.724 3.319 1.00 0.00 C ATOM 0 H ALA A 104 11.306 -2.781 4.029 1.00 0.00 H new ATOM 0 HA ALA A 104 9.241 -4.812 3.425 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.965 -2.856 2.693 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.544 -2.659 4.364 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.361 -1.806 3.033 1.00 0.00 H new ATOM 1588 N ASN A 105 9.346 -4.709 0.900 1.00 0.00 N ATOM 1589 CA ASN A 105 9.626 -4.946 -0.506 1.00 0.00 C ATOM 1590 C ASN A 105 9.588 -3.615 -1.260 1.00 0.00 C ATOM 1591 O ASN A 105 10.511 -3.294 -2.006 1.00 0.00 O ATOM 1592 CB ASN A 105 8.580 -5.872 -1.128 1.00 0.00 C ATOM 1593 CG ASN A 105 9.075 -6.446 -2.456 1.00 0.00 C ATOM 1594 OD1 ASN A 105 8.645 -6.058 -3.530 1.00 0.00 O ATOM 1595 ND2 ASN A 105 10.004 -7.390 -2.325 1.00 0.00 N ATOM 0 H ASN A 105 8.440 -5.053 1.218 1.00 0.00 H new ATOM 0 HA ASN A 105 10.609 -5.412 -0.580 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.353 -6.685 -0.438 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.652 -5.322 -1.289 1.00 0.00 H new ATOM 0 HD21 ASN A 105 10.400 -7.835 -3.153 1.00 0.00 H new ATOM 0 HD22 ASN A 105 10.320 -7.669 -1.396 1.00 0.00 H new ATOM 1602 N ASN A 106 8.509 -2.878 -1.039 1.00 0.00 N ATOM 1603 CA ASN A 106 8.339 -1.590 -1.688 1.00 0.00 C ATOM 1604 C ASN A 106 7.217 -0.816 -0.990 1.00 0.00 C ATOM 1605 O ASN A 106 6.063 -1.239 -1.008 1.00 0.00 O ATOM 1606 CB ASN A 106 7.950 -1.760 -3.158 1.00 0.00 C ATOM 1607 CG ASN A 106 9.087 -1.313 -4.081 1.00 0.00 C ATOM 1608 OD1 ASN A 106 9.048 -0.255 -4.687 1.00 0.00 O ATOM 1609 ND2 ASN A 106 10.097 -2.174 -4.151 1.00 0.00 N ATOM 0 H ASN A 106 7.745 -3.148 -0.420 1.00 0.00 H new ATOM 0 HA ASN A 106 9.286 -1.054 -1.625 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.706 -2.804 -3.355 1.00 0.00 H new ATOM 0 HB3 ASN A 106 7.054 -1.177 -3.371 1.00 0.00 H new ATOM 0 HD21 ASN A 106 10.904 -1.966 -4.739 1.00 0.00 H new ATOM 0 HD22 ASN A 106 10.065 -3.042 -3.617 1.00 0.00 H new ATOM 1616 N VAL A 107 7.597 0.304 -0.393 1.00 0.00 N ATOM 1617 CA VAL A 107 6.639 1.140 0.310 1.00 0.00 C ATOM 1618 C VAL A 107 6.748 2.576 -0.204 1.00 0.00 C ATOM 1619 O VAL A 107 7.839 3.142 -0.246 1.00 0.00 O ATOM 1620 CB VAL A 107 6.854 1.027 1.821 1.00 0.00 C ATOM 1621 CG1 VAL A 107 8.266 1.472 2.209 1.00 0.00 C ATOM 1622 CG2 VAL A 107 5.797 1.826 2.586 1.00 0.00 C ATOM 0 H VAL A 107 8.556 0.652 -0.382 1.00 0.00 H new ATOM 0 HA VAL A 107 5.622 0.801 0.115 1.00 0.00 H new ATOM 0 HB VAL A 107 6.746 -0.022 2.098 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.392 1.382 3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 107 8.998 0.842 1.704 1.00 0.00 H new ATOM 0 HG13 VAL A 107 8.415 2.510 1.912 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.972 1.729 3.657 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.859 2.876 2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.806 1.443 2.344 1.00 0.00 H new ATOM 1632 N LEU A 108 5.603 3.125 -0.582 1.00 0.00 N ATOM 1633 CA LEU A 108 5.557 4.485 -1.091 1.00 0.00 C ATOM 1634 C LEU A 108 4.639 5.327 -0.202 1.00 0.00 C ATOM 1635 O LEU A 108 3.669 4.816 0.355 1.00 0.00 O ATOM 1636 CB LEU A 108 5.158 4.492 -2.568 1.00 0.00 C ATOM 1637 CG LEU A 108 6.270 4.158 -3.564 1.00 0.00 C ATOM 1638 CD1 LEU A 108 7.581 4.842 -3.172 1.00 0.00 C ATOM 1639 CD2 LEU A 108 6.437 2.645 -3.715 1.00 0.00 C ATOM 0 H LEU A 108 4.700 2.652 -0.546 1.00 0.00 H new ATOM 0 HA LEU A 108 6.547 4.940 -1.050 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.346 3.779 -2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.762 5.478 -2.812 1.00 0.00 H new ATOM 0 HG LEU A 108 5.981 4.549 -4.540 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.355 4.588 -3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.438 5.922 -3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.886 4.504 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.234 2.436 -4.429 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.692 2.209 -2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.505 2.210 -4.075 1.00 0.00 H new ATOM 1651 N ALA A 109 4.977 6.603 -0.098 1.00 0.00 N ATOM 1652 CA ALA A 109 4.195 7.521 0.713 1.00 0.00 C ATOM 1653 C ALA A 109 3.385 8.441 -0.203 1.00 0.00 C ATOM 1654 O ALA A 109 3.562 8.424 -1.420 1.00 0.00 O ATOM 1655 CB ALA A 109 5.126 8.299 1.645 1.00 0.00 C ATOM 0 H ALA A 109 5.782 7.024 -0.562 1.00 0.00 H new ATOM 0 HA ALA A 109 3.489 6.975 1.339 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.540 8.988 2.253 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.656 7.602 2.294 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.847 8.862 1.052 1.00 0.00 H new ATOM 1661 N LYS A 110 2.514 9.224 0.418 1.00 0.00 N ATOM 1662 CA LYS A 110 1.677 10.149 -0.326 1.00 0.00 C ATOM 1663 C LYS A 110 1.624 11.488 0.412 1.00 0.00 C ATOM 1664 O LYS A 110 0.563 11.903 0.878 1.00 0.00 O ATOM 1665 CB LYS A 110 0.300 9.535 -0.585 1.00 0.00 C ATOM 1666 CG LYS A 110 -0.088 9.660 -2.060 1.00 0.00 C ATOM 1667 CD LYS A 110 -1.516 9.162 -2.297 1.00 0.00 C ATOM 1668 CE LYS A 110 -2.539 10.139 -1.718 1.00 0.00 C ATOM 1669 NZ LYS A 110 -3.548 10.500 -2.739 1.00 0.00 N ATOM 0 H LYS A 110 2.370 9.236 1.428 1.00 0.00 H new ATOM 0 HA LYS A 110 2.104 10.343 -1.310 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.306 8.484 -0.295 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.446 10.033 0.034 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.005 10.700 -2.374 1.00 0.00 H new ATOM 0 HG3 LYS A 110 0.607 9.086 -2.672 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.690 9.039 -3.366 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -1.644 8.181 -1.838 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -3.031 9.690 -0.855 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.033 11.038 -1.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -4.235 11.164 -2.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.076 10.947 -3.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -4.043 9.642 -3.056 1.00 0.00 H new ATOM 1683 N PRO A 111 2.812 12.145 0.496 1.00 0.00 N ATOM 1684 CA PRO A 111 2.911 13.429 1.169 1.00 0.00 C ATOM 1685 C PRO A 111 2.315 14.546 0.309 1.00 0.00 C ATOM 1686 O PRO A 111 1.535 14.282 -0.605 1.00 0.00 O ATOM 1687 CB PRO A 111 4.395 13.617 1.442 1.00 0.00 C ATOM 1688 CG PRO A 111 5.115 12.660 0.505 1.00 0.00 C ATOM 1689 CD PRO A 111 4.087 11.685 -0.045 1.00 0.00 C ATOM 0 HA PRO A 111 2.342 13.462 2.098 1.00 0.00 H new ATOM 0 HB2 PRO A 111 4.699 14.647 1.257 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.632 13.397 2.483 1.00 0.00 H new ATOM 0 HG2 PRO A 111 5.594 13.208 -0.306 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.902 12.125 1.036 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.080 11.691 -1.135 1.00 0.00 H new ATOM 0 HD3 PRO A 111 4.304 10.663 0.267 1.00 0.00 H new ATOM 1697 N PHE A 112 2.704 15.771 0.633 1.00 0.00 N ATOM 1698 CA PHE A 112 2.219 16.928 -0.098 1.00 0.00 C ATOM 1699 C PHE A 112 3.160 17.283 -1.251 1.00 0.00 C ATOM 1700 O PHE A 112 3.139 18.407 -1.750 1.00 0.00 O ATOM 1701 CB PHE A 112 2.178 18.096 0.890 1.00 0.00 C ATOM 1702 CG PHE A 112 0.790 18.373 1.469 1.00 0.00 C ATOM 1703 CD1 PHE A 112 -0.074 19.187 0.804 1.00 0.00 C ATOM 1704 CD2 PHE A 112 0.419 17.806 2.648 1.00 0.00 C ATOM 1705 CE1 PHE A 112 -1.363 19.445 1.341 1.00 0.00 C ATOM 1706 CE2 PHE A 112 -0.871 18.064 3.185 1.00 0.00 C ATOM 1707 CZ PHE A 112 -1.734 18.878 2.520 1.00 0.00 C ATOM 0 H PHE A 112 3.350 15.987 1.392 1.00 0.00 H new ATOM 0 HA PHE A 112 1.236 16.717 -0.519 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.867 17.890 1.709 1.00 0.00 H new ATOM 0 HB3 PHE A 112 2.537 18.995 0.389 1.00 0.00 H new ATOM 0 HD1 PHE A 112 0.221 19.637 -0.133 1.00 0.00 H new ATOM 0 HD2 PHE A 112 1.105 17.160 3.176 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -2.049 20.091 0.813 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -1.166 17.614 4.121 1.00 0.00 H new ATOM 0 HZ PHE A 112 -2.714 19.074 2.928 1.00 0.00 H new ATOM 1717 N THR A 113 3.963 16.304 -1.640 1.00 0.00 N ATOM 1718 CA THR A 113 4.910 16.499 -2.724 1.00 0.00 C ATOM 1719 C THR A 113 4.660 15.481 -3.839 1.00 0.00 C ATOM 1720 O THR A 113 5.144 14.353 -3.776 1.00 0.00 O ATOM 1721 CB THR A 113 6.321 16.424 -2.139 1.00 0.00 C ATOM 1722 OG1 THR A 113 7.154 16.181 -3.270 1.00 0.00 O ATOM 1723 CG2 THR A 113 6.525 15.192 -1.255 1.00 0.00 C ATOM 0 H THR A 113 3.977 15.373 -1.224 1.00 0.00 H new ATOM 0 HA THR A 113 4.786 17.478 -3.186 1.00 0.00 H new ATOM 0 HB THR A 113 6.520 17.324 -1.558 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.088 16.120 -2.981 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.543 15.188 -0.866 1.00 0.00 H new ATOM 0 HG22 THR A 113 5.819 15.219 -0.425 1.00 0.00 H new ATOM 0 HG23 THR A 113 6.358 14.290 -1.844 1.00 0.00 H new ATOM 1731 N ILE A 114 3.903 15.918 -4.836 1.00 0.00 N ATOM 1732 CA ILE A 114 3.584 15.060 -5.964 1.00 0.00 C ATOM 1733 C ILE A 114 4.873 14.453 -6.520 1.00 0.00 C ATOM 1734 O ILE A 114 4.853 13.371 -7.105 1.00 0.00 O ATOM 1735 CB ILE A 114 2.767 15.827 -7.007 1.00 0.00 C ATOM 1736 CG1 ILE A 114 3.607 16.923 -7.664 1.00 0.00 C ATOM 1737 CG2 ILE A 114 1.479 16.381 -6.393 1.00 0.00 C ATOM 1738 CD1 ILE A 114 3.856 16.611 -9.141 1.00 0.00 C ATOM 0 H ILE A 114 3.502 16.855 -4.885 1.00 0.00 H new ATOM 0 HA ILE A 114 2.953 14.231 -5.644 1.00 0.00 H new ATOM 0 HB ILE A 114 2.476 15.131 -7.794 1.00 0.00 H new ATOM 0 HG12 ILE A 114 3.097 17.882 -7.572 1.00 0.00 H new ATOM 0 HG13 ILE A 114 4.560 17.018 -7.143 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.916 16.922 -7.154 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.875 15.558 -6.011 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.727 17.058 -5.576 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.456 17.406 -9.585 1.00 0.00 H new ATOM 0 HD12 ILE A 114 4.388 15.664 -9.228 1.00 0.00 H new ATOM 0 HD13 ILE A 114 2.902 16.541 -9.664 1.00 0.00 H new ATOM 1750 N GLU A 115 5.966 15.176 -6.318 1.00 0.00 N ATOM 1751 CA GLU A 115 7.262 14.722 -6.792 1.00 0.00 C ATOM 1752 C GLU A 115 7.667 13.432 -6.076 1.00 0.00 C ATOM 1753 O GLU A 115 8.201 12.515 -6.697 1.00 0.00 O ATOM 1754 CB GLU A 115 8.324 15.808 -6.606 1.00 0.00 C ATOM 1755 CG GLU A 115 8.545 16.586 -7.906 1.00 0.00 C ATOM 1756 CD GLU A 115 9.405 15.785 -8.885 1.00 0.00 C ATOM 1757 OE1 GLU A 115 10.616 15.659 -8.604 1.00 0.00 O ATOM 1758 OE2 GLU A 115 8.832 15.317 -9.893 1.00 0.00 O ATOM 0 H GLU A 115 5.980 16.073 -5.832 1.00 0.00 H new ATOM 0 HA GLU A 115 7.184 14.513 -7.859 1.00 0.00 H new ATOM 0 HB2 GLU A 115 8.015 16.493 -5.816 1.00 0.00 H new ATOM 0 HB3 GLU A 115 9.262 15.354 -6.286 1.00 0.00 H new ATOM 0 HG2 GLU A 115 7.583 16.815 -8.365 1.00 0.00 H new ATOM 0 HG3 GLU A 115 9.028 17.538 -7.687 1.00 0.00 H new ATOM 1765 N LYS A 116 7.396 13.402 -4.779 1.00 0.00 N ATOM 1766 CA LYS A 116 7.725 12.241 -3.972 1.00 0.00 C ATOM 1767 C LYS A 116 6.719 11.123 -4.259 1.00 0.00 C ATOM 1768 O LYS A 116 7.102 10.025 -4.658 1.00 0.00 O ATOM 1769 CB LYS A 116 7.814 12.622 -2.493 1.00 0.00 C ATOM 1770 CG LYS A 116 8.918 11.832 -1.788 1.00 0.00 C ATOM 1771 CD LYS A 116 10.072 12.749 -1.376 1.00 0.00 C ATOM 1772 CE LYS A 116 11.261 11.936 -0.859 1.00 0.00 C ATOM 1773 NZ LYS A 116 12.324 11.863 -1.885 1.00 0.00 N ATOM 0 H LYS A 116 6.952 14.165 -4.267 1.00 0.00 H new ATOM 0 HA LYS A 116 8.711 11.860 -4.239 1.00 0.00 H new ATOM 0 HB2 LYS A 116 8.011 13.690 -2.400 1.00 0.00 H new ATOM 0 HB3 LYS A 116 6.858 12.430 -2.006 1.00 0.00 H new ATOM 0 HG2 LYS A 116 8.510 11.337 -0.907 1.00 0.00 H new ATOM 0 HG3 LYS A 116 9.289 11.049 -2.450 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.383 13.353 -2.228 1.00 0.00 H new ATOM 0 HD3 LYS A 116 9.735 13.439 -0.602 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.654 12.393 0.049 1.00 0.00 H new ATOM 0 HE3 LYS A 116 10.934 10.931 -0.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.123 11.308 -1.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 11.949 11.406 -2.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.648 12.823 -2.118 1.00 0.00 H new ATOM 1787 N MET A 117 5.451 11.443 -4.044 1.00 0.00 N ATOM 1788 CA MET A 117 4.387 10.482 -4.275 1.00 0.00 C ATOM 1789 C MET A 117 4.443 9.934 -5.703 1.00 0.00 C ATOM 1790 O MET A 117 4.489 8.722 -5.905 1.00 0.00 O ATOM 1791 CB MET A 117 3.032 11.151 -4.037 1.00 0.00 C ATOM 1792 CG MET A 117 1.899 10.328 -4.652 1.00 0.00 C ATOM 1793 SD MET A 117 1.587 10.871 -6.323 1.00 0.00 S ATOM 1794 CE MET A 117 -0.069 10.244 -6.550 1.00 0.00 C ATOM 0 H MET A 117 5.137 12.355 -3.712 1.00 0.00 H new ATOM 0 HA MET A 117 4.518 9.651 -3.582 1.00 0.00 H new ATOM 0 HB2 MET A 117 2.863 11.267 -2.966 1.00 0.00 H new ATOM 0 HB3 MET A 117 3.036 12.152 -4.469 1.00 0.00 H new ATOM 0 HG2 MET A 117 2.163 9.270 -4.648 1.00 0.00 H new ATOM 0 HG3 MET A 117 0.995 10.433 -4.052 1.00 0.00 H new ATOM 0 HE1 MET A 117 -0.420 10.498 -7.550 1.00 0.00 H new ATOM 0 HE2 MET A 117 -0.068 9.161 -6.430 1.00 0.00 H new ATOM 0 HE3 MET A 117 -0.732 10.690 -5.809 1.00 0.00 H new ATOM 1804 N LYS A 118 4.438 10.854 -6.655 1.00 0.00 N ATOM 1805 CA LYS A 118 4.487 10.480 -8.059 1.00 0.00 C ATOM 1806 C LYS A 118 5.734 9.631 -8.312 1.00 0.00 C ATOM 1807 O LYS A 118 5.633 8.493 -8.768 1.00 0.00 O ATOM 1808 CB LYS A 118 4.397 11.721 -8.949 1.00 0.00 C ATOM 1809 CG LYS A 118 4.079 11.337 -10.395 1.00 0.00 C ATOM 1810 CD LYS A 118 5.233 11.708 -11.327 1.00 0.00 C ATOM 1811 CE LYS A 118 5.462 13.221 -11.341 1.00 0.00 C ATOM 1812 NZ LYS A 118 6.909 13.527 -11.342 1.00 0.00 N ATOM 0 H LYS A 118 4.401 11.859 -6.483 1.00 0.00 H new ATOM 0 HA LYS A 118 3.624 9.867 -8.320 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.625 12.390 -8.569 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.339 12.268 -8.913 1.00 0.00 H new ATOM 0 HG2 LYS A 118 3.887 10.266 -10.457 1.00 0.00 H new ATOM 0 HG3 LYS A 118 3.169 11.843 -10.718 1.00 0.00 H new ATOM 0 HD2 LYS A 118 6.143 11.202 -11.004 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.016 11.360 -12.337 1.00 0.00 H new ATOM 0 HE2 LYS A 118 4.992 13.658 -12.222 1.00 0.00 H new ATOM 0 HE3 LYS A 118 4.989 13.674 -10.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 7.099 14.307 -10.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 7.442 12.684 -11.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 7.204 13.806 -12.299 1.00 0.00 H new ATOM 1826 N ALA A 119 6.882 10.217 -8.005 1.00 0.00 N ATOM 1827 CA ALA A 119 8.148 9.529 -8.193 1.00 0.00 C ATOM 1828 C ALA A 119 8.117 8.199 -7.438 1.00 0.00 C ATOM 1829 O ALA A 119 8.661 7.200 -7.909 1.00 0.00 O ATOM 1830 CB ALA A 119 9.294 10.434 -7.737 1.00 0.00 C ATOM 0 H ALA A 119 6.962 11.161 -7.627 1.00 0.00 H new ATOM 0 HA ALA A 119 8.311 9.305 -9.247 1.00 0.00 H new ATOM 0 HB1 ALA A 119 10.244 9.918 -7.878 1.00 0.00 H new ATOM 0 HB2 ALA A 119 9.289 11.352 -8.325 1.00 0.00 H new ATOM 0 HB3 ALA A 119 9.167 10.678 -6.682 1.00 0.00 H new ATOM 1836 N ALA A 120 7.478 8.228 -6.278 1.00 0.00 N ATOM 1837 CA ALA A 120 7.370 7.038 -5.453 1.00 0.00 C ATOM 1838 C ALA A 120 6.703 5.921 -6.260 1.00 0.00 C ATOM 1839 O ALA A 120 7.273 4.843 -6.424 1.00 0.00 O ATOM 1840 CB ALA A 120 6.600 7.371 -4.173 1.00 0.00 C ATOM 0 H ALA A 120 7.030 9.058 -5.890 1.00 0.00 H new ATOM 0 HA ALA A 120 8.358 6.686 -5.157 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.519 6.477 -3.554 1.00 0.00 H new ATOM 0 HB2 ALA A 120 7.130 8.148 -3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 120 5.602 7.725 -4.431 1.00 0.00 H new ATOM 1846 N ILE A 121 5.505 6.218 -6.742 1.00 0.00 N ATOM 1847 CA ILE A 121 4.755 5.253 -7.527 1.00 0.00 C ATOM 1848 C ILE A 121 5.573 4.858 -8.758 1.00 0.00 C ATOM 1849 O ILE A 121 5.621 3.685 -9.126 1.00 0.00 O ATOM 1850 CB ILE A 121 3.365 5.799 -7.863 1.00 0.00 C ATOM 1851 CG1 ILE A 121 3.337 6.402 -9.269 1.00 0.00 C ATOM 1852 CG2 ILE A 121 2.898 6.798 -6.801 1.00 0.00 C ATOM 1853 CD1 ILE A 121 1.900 6.560 -9.769 1.00 0.00 C ATOM 0 H ILE A 121 5.036 7.113 -6.604 1.00 0.00 H new ATOM 0 HA ILE A 121 4.585 4.344 -6.950 1.00 0.00 H new ATOM 0 HB ILE A 121 2.660 4.967 -7.856 1.00 0.00 H new ATOM 0 HG12 ILE A 121 3.832 7.373 -9.262 1.00 0.00 H new ATOM 0 HG13 ILE A 121 3.896 5.764 -9.953 1.00 0.00 H new ATOM 0 HG21 ILE A 121 1.908 7.171 -7.063 1.00 0.00 H new ATOM 0 HG22 ILE A 121 2.854 6.304 -5.831 1.00 0.00 H new ATOM 0 HG23 ILE A 121 3.599 7.631 -6.752 1.00 0.00 H new ATOM 0 HD11 ILE A 121 1.908 6.991 -10.770 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.415 5.584 -9.798 1.00 0.00 H new ATOM 0 HD13 ILE A 121 1.351 7.218 -9.096 1.00 0.00 H new ATOM 1865 N GLU A 122 6.196 5.859 -9.362 1.00 0.00 N ATOM 1866 CA GLU A 122 7.011 5.630 -10.543 1.00 0.00 C ATOM 1867 C GLU A 122 8.091 4.587 -10.250 1.00 0.00 C ATOM 1868 O GLU A 122 8.641 3.983 -11.170 1.00 0.00 O ATOM 1869 CB GLU A 122 7.630 6.937 -11.043 1.00 0.00 C ATOM 1870 CG GLU A 122 6.557 7.878 -11.593 1.00 0.00 C ATOM 1871 CD GLU A 122 7.031 8.558 -12.880 1.00 0.00 C ATOM 1872 OE1 GLU A 122 6.791 7.967 -13.955 1.00 0.00 O ATOM 1873 OE2 GLU A 122 7.622 9.653 -12.759 1.00 0.00 O ATOM 0 H GLU A 122 6.153 6.831 -9.056 1.00 0.00 H new ATOM 0 HA GLU A 122 6.369 5.244 -11.335 1.00 0.00 H new ATOM 0 HB2 GLU A 122 8.164 7.426 -10.228 1.00 0.00 H new ATOM 0 HB3 GLU A 122 8.363 6.722 -11.820 1.00 0.00 H new ATOM 0 HG2 GLU A 122 5.643 7.318 -11.789 1.00 0.00 H new ATOM 0 HG3 GLU A 122 6.314 8.634 -10.846 1.00 0.00 H new ATOM 1880 N ALA A 123 8.362 4.408 -8.966 1.00 0.00 N ATOM 1881 CA ALA A 123 9.367 3.448 -8.540 1.00 0.00 C ATOM 1882 C ALA A 123 8.710 2.080 -8.349 1.00 0.00 C ATOM 1883 O ALA A 123 9.219 1.071 -8.833 1.00 0.00 O ATOM 1884 CB ALA A 123 10.047 3.952 -7.265 1.00 0.00 C ATOM 0 H ALA A 123 7.904 4.911 -8.206 1.00 0.00 H new ATOM 0 HA ALA A 123 10.140 3.339 -9.300 1.00 0.00 H new ATOM 0 HB1 ALA A 123 10.801 3.232 -6.946 1.00 0.00 H new ATOM 0 HB2 ALA A 123 10.523 4.913 -7.462 1.00 0.00 H new ATOM 0 HB3 ALA A 123 9.302 4.071 -6.478 1.00 0.00 H new ATOM 1890 N VAL A 124 7.590 2.090 -7.642 1.00 0.00 N ATOM 1891 CA VAL A 124 6.858 0.862 -7.381 1.00 0.00 C ATOM 1892 C VAL A 124 6.440 0.231 -8.710 1.00 0.00 C ATOM 1893 O VAL A 124 6.424 -0.992 -8.843 1.00 0.00 O ATOM 1894 CB VAL A 124 5.675 1.146 -6.453 1.00 0.00 C ATOM 1895 CG1 VAL A 124 4.372 1.264 -7.247 1.00 0.00 C ATOM 1896 CG2 VAL A 124 5.560 0.073 -5.368 1.00 0.00 C ATOM 0 H VAL A 124 7.171 2.929 -7.241 1.00 0.00 H new ATOM 0 HA VAL A 124 7.492 0.141 -6.865 1.00 0.00 H new ATOM 0 HB VAL A 124 5.856 2.102 -5.962 1.00 0.00 H new ATOM 0 HG11 VAL A 124 3.547 1.466 -6.564 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.456 2.079 -7.965 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.184 0.331 -7.778 1.00 0.00 H new ATOM 0 HG21 VAL A 124 4.712 0.298 -4.722 1.00 0.00 H new ATOM 0 HG22 VAL A 124 5.413 -0.901 -5.834 1.00 0.00 H new ATOM 0 HG23 VAL A 124 6.474 0.057 -4.774 1.00 0.00 H new ATOM 1906 N PHE A 125 6.109 1.093 -9.660 1.00 0.00 N ATOM 1907 CA PHE A 125 5.691 0.636 -10.973 1.00 0.00 C ATOM 1908 C PHE A 125 6.900 0.383 -11.877 1.00 0.00 C ATOM 1909 O PHE A 125 6.783 -0.283 -12.904 1.00 0.00 O ATOM 1910 CB PHE A 125 4.837 1.748 -11.584 1.00 0.00 C ATOM 1911 CG PHE A 125 3.478 1.933 -10.905 1.00 0.00 C ATOM 1912 CD1 PHE A 125 2.602 0.895 -10.840 1.00 0.00 C ATOM 1913 CD2 PHE A 125 3.146 3.137 -10.366 1.00 0.00 C ATOM 1914 CE1 PHE A 125 1.341 1.067 -10.210 1.00 0.00 C ATOM 1915 CE2 PHE A 125 1.885 3.309 -9.735 1.00 0.00 C ATOM 1916 CZ PHE A 125 1.009 2.270 -9.670 1.00 0.00 C ATOM 0 H PHE A 125 6.122 2.106 -9.546 1.00 0.00 H new ATOM 0 HA PHE A 125 5.137 -0.298 -10.882 1.00 0.00 H new ATOM 0 HB2 PHE A 125 5.389 2.687 -11.531 1.00 0.00 H new ATOM 0 HB3 PHE A 125 4.677 1.531 -12.640 1.00 0.00 H new ATOM 0 HD1 PHE A 125 2.865 -0.061 -11.268 1.00 0.00 H new ATOM 0 HD2 PHE A 125 3.841 3.962 -10.418 1.00 0.00 H new ATOM 0 HE1 PHE A 125 0.646 0.242 -10.160 1.00 0.00 H new ATOM 0 HE2 PHE A 125 1.622 4.265 -9.307 1.00 0.00 H new ATOM 0 HZ PHE A 125 0.050 2.401 -9.190 1.00 0.00 H new