USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 711 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 41 LYS NZ :NH3+ -140:sc= 0.187 (180deg=-0.74) USER MOD Set 1.2: A 42 ASN : amide:sc= -0.712 K(o=-0.52,f=-1.2) USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 17 GLN : amide:sc= -0.568 X(o=-0.57,f=-0.57) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -1.62 K(o=-1.6,f=-3.7!) USER MOD Single : A 23 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00832) USER MOD Single : A 26 CYS SG : rot 32:sc= 0.0945 USER MOD Single : A 28 LYS NZ :NH3+ -156:sc= -3.04! (180deg=-3.93!) USER MOD Single : A 29 CYS SG : rot -36:sc= -0.446 USER MOD Single : A 32 SER OG : rot -56:sc= 0.0828 USER MOD Single : A 34 ASN : amide:sc= -0.968 X(o=-0.97,f=-1.3) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 5:sc= 1.11 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 49:sc= 1.32 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0.0768 K(o=0.077,f=-0.98) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.787 K(o=-0.79,f=-0.2) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.639 K(o=-0.64,f=-5.4!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -1.16! C(o=-1.2!,f=-1.2!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.511 X(o=-0.51,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -13.122 -1.842 12.986 1.00 0.00 N ATOM 67 CA LEU A 8 -11.954 -2.575 12.512 1.00 0.00 C ATOM 68 C LEU A 8 -10.709 -2.185 13.303 1.00 0.00 C ATOM 69 O LEU A 8 -10.335 -1.013 13.355 1.00 0.00 O ATOM 70 CB LEU A 8 -11.730 -2.309 11.023 1.00 0.00 C ATOM 71 CG LEU A 8 -10.615 -3.116 10.357 1.00 0.00 C ATOM 72 CD1 LEU A 8 -11.020 -4.576 10.221 1.00 0.00 C ATOM 73 CD2 LEU A 8 -10.270 -2.528 8.996 1.00 0.00 C ATOM 0 HA LEU A 8 -12.138 -3.639 12.661 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.662 -2.510 10.494 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.512 -1.249 10.893 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.728 -3.063 10.989 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.214 -5.134 9.745 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -11.216 -4.993 11.209 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.921 -4.648 9.612 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.475 -3.115 8.537 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.152 -2.549 8.356 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.936 -1.498 9.119 1.00 0.00 H new ATOM 85 N LYS A 9 -10.069 -3.175 13.915 1.00 0.00 N ATOM 86 CA LYS A 9 -8.864 -2.938 14.701 1.00 0.00 C ATOM 87 C LYS A 9 -7.612 -3.231 13.879 1.00 0.00 C ATOM 88 O LYS A 9 -7.361 -4.376 13.500 1.00 0.00 O ATOM 89 CB LYS A 9 -8.873 -3.805 15.962 1.00 0.00 C ATOM 90 CG LYS A 9 -9.940 -3.406 16.966 1.00 0.00 C ATOM 91 CD LYS A 9 -9.507 -2.209 17.795 1.00 0.00 C ATOM 92 CE LYS A 9 -10.681 -1.592 18.539 1.00 0.00 C ATOM 93 NZ LYS A 9 -10.231 -0.663 19.612 1.00 0.00 N ATOM 0 H LYS A 9 -10.365 -4.151 13.882 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.850 -1.887 14.990 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.026 -4.846 15.676 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.895 -3.746 16.440 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.865 -3.170 16.440 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.154 -4.248 17.625 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.744 -2.517 18.509 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.053 -1.461 17.146 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.315 -1.053 17.835 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.291 -2.383 18.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.060 -0.263 20.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.647 -1.182 20.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.671 0.106 19.193 1.00 0.00 H new ATOM 107 N ILE A 10 -6.831 -2.191 13.608 1.00 0.00 N ATOM 108 CA ILE A 10 -5.605 -2.339 12.834 1.00 0.00 C ATOM 109 C ILE A 10 -4.513 -3.013 13.657 1.00 0.00 C ATOM 110 O ILE A 10 -3.881 -2.382 14.506 1.00 0.00 O ATOM 111 CB ILE A 10 -5.088 -0.977 12.333 1.00 0.00 C ATOM 112 CG1 ILE A 10 -6.014 -0.424 11.247 1.00 0.00 C ATOM 113 CG2 ILE A 10 -3.667 -1.111 11.807 1.00 0.00 C ATOM 114 CD1 ILE A 10 -7.246 0.262 11.795 1.00 0.00 C ATOM 0 H ILE A 10 -7.025 -1.237 13.913 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.848 -2.965 11.975 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.081 -0.278 13.169 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.458 0.283 10.632 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.323 -1.240 10.594 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.316 -0.140 11.457 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.015 -1.466 12.605 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.650 -1.823 10.981 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.856 0.629 10.969 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.825 -0.448 12.386 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.946 1.100 12.425 1.00 0.00 H new ATOM 126 N LEU A 11 -4.293 -4.297 13.399 1.00 0.00 N ATOM 127 CA LEU A 11 -3.275 -5.058 14.115 1.00 0.00 C ATOM 128 C LEU A 11 -1.875 -4.606 13.713 1.00 0.00 C ATOM 129 O LEU A 11 -1.094 -4.147 14.548 1.00 0.00 O ATOM 130 CB LEU A 11 -3.439 -6.554 13.838 1.00 0.00 C ATOM 131 CG LEU A 11 -4.728 -7.194 14.353 1.00 0.00 C ATOM 132 CD1 LEU A 11 -4.966 -8.534 13.676 1.00 0.00 C ATOM 133 CD2 LEU A 11 -4.674 -7.360 15.865 1.00 0.00 C ATOM 0 H LEU A 11 -4.806 -4.833 12.699 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.404 -4.876 15.182 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.384 -6.712 12.761 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.593 -7.080 14.281 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.561 -6.534 14.110 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.888 -8.975 14.055 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.050 -8.388 12.599 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.131 -9.202 13.887 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.600 -7.817 16.214 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.831 -7.998 16.131 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.552 -6.384 16.334 1.00 0.00 H new ATOM 145 N THR A 12 -1.562 -4.736 12.428 1.00 0.00 N ATOM 146 CA THR A 12 -0.257 -4.340 11.914 1.00 0.00 C ATOM 147 C THR A 12 -0.394 -3.314 10.795 1.00 0.00 C ATOM 148 O THR A 12 -0.471 -3.654 9.614 1.00 0.00 O ATOM 149 CB THR A 12 0.532 -5.554 11.388 1.00 0.00 C ATOM 150 OG1 THR A 12 0.580 -6.577 12.389 1.00 0.00 O ATOM 151 CG2 THR A 12 1.946 -5.152 10.998 1.00 0.00 C ATOM 0 H THR A 12 -2.196 -5.113 11.723 1.00 0.00 H new ATOM 0 HA THR A 12 0.288 -3.895 12.746 1.00 0.00 H new ATOM 0 HB THR A 12 0.023 -5.936 10.503 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.082 -7.346 12.047 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.484 -6.025 10.630 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.906 -4.394 10.216 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.463 -4.748 11.869 1.00 0.00 H new ATOM 159 N PRO A 13 -0.426 -2.027 11.172 1.00 0.00 N ATOM 160 CA PRO A 13 -0.553 -0.924 10.214 1.00 0.00 C ATOM 161 C PRO A 13 0.701 -0.747 9.365 1.00 0.00 C ATOM 162 O PRO A 13 1.792 -1.165 9.755 1.00 0.00 O ATOM 163 CB PRO A 13 -0.771 0.299 11.108 1.00 0.00 C ATOM 164 CG PRO A 13 -0.144 -0.066 12.409 1.00 0.00 C ATOM 165 CD PRO A 13 -0.339 -1.549 12.562 1.00 0.00 C ATOM 0 HA PRO A 13 -1.358 -1.095 9.499 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.308 1.189 10.681 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.832 0.518 11.228 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.915 0.191 12.417 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.610 0.476 13.232 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.493 -2.011 13.094 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.244 -1.779 13.124 1.00 0.00 H new ATOM 173 N LEU A 14 0.540 -0.124 8.203 1.00 0.00 N ATOM 174 CA LEU A 14 1.660 0.110 7.298 1.00 0.00 C ATOM 175 C LEU A 14 2.793 0.841 8.012 1.00 0.00 C ATOM 176 O LEU A 14 2.559 1.623 8.933 1.00 0.00 O ATOM 177 CB LEU A 14 1.200 0.920 6.084 1.00 0.00 C ATOM 178 CG LEU A 14 0.002 0.359 5.318 1.00 0.00 C ATOM 179 CD1 LEU A 14 -0.770 1.480 4.640 1.00 0.00 C ATOM 180 CD2 LEU A 14 0.458 -0.672 4.295 1.00 0.00 C ATOM 0 H LEU A 14 -0.356 0.228 7.865 1.00 0.00 H new ATOM 0 HA LEU A 14 2.032 -0.858 6.961 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.953 1.928 6.417 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.038 1.009 5.393 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.662 -0.133 6.029 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.619 1.062 4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.129 2.182 5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.116 2.001 3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.408 -1.061 3.759 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.143 -0.204 3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.966 -1.490 4.805 1.00 0.00 H new ATOM 192 N THR A 15 4.023 0.582 7.578 1.00 0.00 N ATOM 193 CA THR A 15 5.193 1.215 8.174 1.00 0.00 C ATOM 194 C THR A 15 5.999 1.975 7.128 1.00 0.00 C ATOM 195 O THR A 15 6.179 1.503 6.005 1.00 0.00 O ATOM 196 CB THR A 15 6.105 0.179 8.857 1.00 0.00 C ATOM 197 OG1 THR A 15 6.530 -0.803 7.904 1.00 0.00 O ATOM 198 CG2 THR A 15 5.383 -0.504 10.008 1.00 0.00 C ATOM 0 H THR A 15 4.234 -0.062 6.816 1.00 0.00 H new ATOM 0 HA THR A 15 4.826 1.915 8.925 1.00 0.00 H new ATOM 0 HB THR A 15 6.976 0.701 9.254 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.111 -1.457 8.345 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.048 -1.231 10.474 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.087 0.242 10.745 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.496 -1.013 9.630 1.00 0.00 H new ATOM 206 N ASP A 16 6.484 3.154 7.503 1.00 0.00 N ATOM 207 CA ASP A 16 7.274 3.979 6.597 1.00 0.00 C ATOM 208 C ASP A 16 8.372 3.156 5.931 1.00 0.00 C ATOM 209 O ASP A 16 9.157 2.490 6.605 1.00 0.00 O ATOM 210 CB ASP A 16 7.890 5.158 7.352 1.00 0.00 C ATOM 211 CG ASP A 16 8.717 4.714 8.543 1.00 0.00 C ATOM 212 OD1 ASP A 16 8.236 3.856 9.313 1.00 0.00 O ATOM 213 OD2 ASP A 16 9.845 5.224 8.703 1.00 0.00 O ATOM 0 H ASP A 16 6.344 3.560 8.428 1.00 0.00 H new ATOM 0 HA ASP A 16 6.610 4.361 5.822 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.518 5.733 6.672 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.096 5.823 7.692 1.00 0.00 H new ATOM 218 N GLN A 17 8.421 3.208 4.603 1.00 0.00 N ATOM 219 CA GLN A 17 9.422 2.466 3.846 1.00 0.00 C ATOM 220 C GLN A 17 10.314 3.412 3.050 1.00 0.00 C ATOM 221 O GLN A 17 9.827 4.287 2.334 1.00 0.00 O ATOM 222 CB GLN A 17 8.744 1.470 2.903 1.00 0.00 C ATOM 223 CG GLN A 17 8.417 0.138 3.558 1.00 0.00 C ATOM 224 CD GLN A 17 9.561 -0.397 4.397 1.00 0.00 C ATOM 225 OE1 GLN A 17 10.597 -0.800 3.869 1.00 0.00 O ATOM 226 NE2 GLN A 17 9.378 -0.402 5.712 1.00 0.00 N ATOM 0 H GLN A 17 7.779 3.756 4.030 1.00 0.00 H new ATOM 0 HA GLN A 17 10.045 1.919 4.554 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.824 1.913 2.520 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.394 1.294 2.046 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.534 0.254 4.186 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.166 -0.590 2.786 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.502 -0.058 6.106 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.113 -0.750 6.328 1.00 0.00 H new ATOM 235 N THR A 18 11.625 3.231 3.180 1.00 0.00 N ATOM 236 CA THR A 18 12.586 4.070 2.475 1.00 0.00 C ATOM 237 C THR A 18 13.635 3.224 1.762 1.00 0.00 C ATOM 238 O THR A 18 14.421 2.525 2.401 1.00 0.00 O ATOM 239 CB THR A 18 13.294 5.044 3.435 1.00 0.00 C ATOM 240 OG1 THR A 18 12.330 5.883 4.080 1.00 0.00 O ATOM 241 CG2 THR A 18 14.303 5.903 2.688 1.00 0.00 C ATOM 0 H THR A 18 12.045 2.511 3.767 1.00 0.00 H new ATOM 0 HA THR A 18 12.023 4.644 1.738 1.00 0.00 H new ATOM 0 HB THR A 18 13.825 4.458 4.185 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.788 6.498 4.690 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.790 6.583 3.387 1.00 0.00 H new ATOM 0 HG22 THR A 18 15.052 5.263 2.223 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.790 6.480 1.918 1.00 0.00 H new ATOM 249 N VAL A 19 13.642 3.292 0.435 1.00 0.00 N ATOM 250 CA VAL A 19 14.597 2.533 -0.364 1.00 0.00 C ATOM 251 C VAL A 19 15.204 3.398 -1.463 1.00 0.00 C ATOM 252 O VAL A 19 14.749 4.515 -1.710 1.00 0.00 O ATOM 253 CB VAL A 19 13.936 1.298 -1.005 1.00 0.00 C ATOM 254 CG1 VAL A 19 13.684 0.224 0.042 1.00 0.00 C ATOM 255 CG2 VAL A 19 12.641 1.688 -1.702 1.00 0.00 C ATOM 0 H VAL A 19 12.997 3.865 -0.110 1.00 0.00 H new ATOM 0 HA VAL A 19 15.385 2.204 0.313 1.00 0.00 H new ATOM 0 HB VAL A 19 14.616 0.891 -1.753 1.00 0.00 H new ATOM 0 HG11 VAL A 19 13.217 -0.641 -0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.631 -0.075 0.492 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.024 0.617 0.815 1.00 0.00 H new ATOM 0 HG21 VAL A 19 12.188 0.803 -2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.953 2.121 -0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.853 2.420 -2.481 1.00 0.00 H new ATOM 265 N ASN A 20 16.233 2.874 -2.120 1.00 0.00 N ATOM 266 CA ASN A 20 16.903 3.599 -3.194 1.00 0.00 C ATOM 267 C ASN A 20 16.184 3.390 -4.523 1.00 0.00 C ATOM 268 O ASN A 20 15.402 2.451 -4.677 1.00 0.00 O ATOM 269 CB ASN A 20 18.360 3.145 -3.312 1.00 0.00 C ATOM 270 CG ASN A 20 19.078 3.150 -1.977 1.00 0.00 C ATOM 271 OD1 ASN A 20 18.705 2.422 -1.056 1.00 0.00 O ATOM 272 ND2 ASN A 20 20.113 3.974 -1.865 1.00 0.00 N ATOM 0 H ASN A 20 16.621 1.951 -1.928 1.00 0.00 H new ATOM 0 HA ASN A 20 16.879 4.661 -2.952 1.00 0.00 H new ATOM 0 HB2 ASN A 20 18.391 2.141 -3.734 1.00 0.00 H new ATOM 0 HB3 ASN A 20 18.886 3.800 -4.007 1.00 0.00 H new ATOM 0 HD21 ASN A 20 20.634 4.022 -0.990 1.00 0.00 H new ATOM 0 HD22 ASN A 20 20.387 4.559 -2.654 1.00 0.00 H new ATOM 279 N LEU A 21 16.454 4.271 -5.480 1.00 0.00 N ATOM 280 CA LEU A 21 15.834 4.184 -6.798 1.00 0.00 C ATOM 281 C LEU A 21 16.075 2.814 -7.423 1.00 0.00 C ATOM 282 O LEU A 21 17.216 2.376 -7.562 1.00 0.00 O ATOM 283 CB LEU A 21 16.380 5.279 -7.714 1.00 0.00 C ATOM 284 CG LEU A 21 15.561 5.573 -8.971 1.00 0.00 C ATOM 285 CD1 LEU A 21 14.467 6.586 -8.671 1.00 0.00 C ATOM 286 CD2 LEU A 21 16.462 6.075 -10.090 1.00 0.00 C ATOM 0 H LEU A 21 17.098 5.054 -5.368 1.00 0.00 H new ATOM 0 HA LEU A 21 14.760 4.324 -6.677 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.464 6.199 -7.136 1.00 0.00 H new ATOM 0 HB3 LEU A 21 17.389 5.000 -8.019 1.00 0.00 H new ATOM 0 HG LEU A 21 15.090 4.646 -9.299 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.895 6.783 -9.578 1.00 0.00 H new ATOM 0 HD12 LEU A 21 13.804 6.189 -7.902 1.00 0.00 H new ATOM 0 HD13 LEU A 21 14.917 7.514 -8.318 1.00 0.00 H new ATOM 0 HD21 LEU A 21 15.862 6.279 -10.977 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.962 6.990 -9.772 1.00 0.00 H new ATOM 0 HD23 LEU A 21 17.209 5.316 -10.324 1.00 0.00 H new ATOM 298 N GLY A 22 14.992 2.142 -7.802 1.00 0.00 N ATOM 299 CA GLY A 22 15.107 0.830 -8.411 1.00 0.00 C ATOM 300 C GLY A 22 14.693 -0.284 -7.470 1.00 0.00 C ATOM 301 O GLY A 22 14.043 -1.245 -7.882 1.00 0.00 O ATOM 0 H GLY A 22 14.036 2.483 -7.698 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.488 0.793 -9.307 1.00 0.00 H new ATOM 0 HA3 GLY A 22 16.137 0.669 -8.729 1.00 0.00 H new ATOM 305 N LYS A 23 15.071 -0.157 -6.203 1.00 0.00 N ATOM 306 CA LYS A 23 14.735 -1.161 -5.200 1.00 0.00 C ATOM 307 C LYS A 23 13.288 -1.619 -5.351 1.00 0.00 C ATOM 308 O LYS A 23 12.463 -0.915 -5.931 1.00 0.00 O ATOM 309 CB LYS A 23 14.959 -0.601 -3.793 1.00 0.00 C ATOM 310 CG LYS A 23 16.412 -0.631 -3.351 1.00 0.00 C ATOM 311 CD LYS A 23 16.871 -2.045 -3.040 1.00 0.00 C ATOM 312 CE LYS A 23 16.523 -2.444 -1.614 1.00 0.00 C ATOM 313 NZ LYS A 23 17.460 -1.843 -0.626 1.00 0.00 N ATOM 0 H LYS A 23 15.610 0.632 -5.846 1.00 0.00 H new ATOM 0 HA LYS A 23 15.387 -2.021 -5.351 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.599 0.427 -3.759 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.360 -1.173 -3.084 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.040 -0.208 -4.135 1.00 0.00 H new ATOM 0 HG3 LYS A 23 16.538 -0.004 -2.468 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.405 -2.741 -3.737 1.00 0.00 H new ATOM 0 HD3 LYS A 23 17.948 -2.119 -3.187 1.00 0.00 H new ATOM 0 HE2 LYS A 23 15.505 -2.129 -1.387 1.00 0.00 H new ATOM 0 HE3 LYS A 23 16.548 -3.530 -1.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.242 -2.205 0.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 18.437 -2.095 -0.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.356 -0.808 -0.634 1.00 0.00 H new ATOM 327 N GLU A 24 12.989 -2.803 -4.825 1.00 0.00 N ATOM 328 CA GLU A 24 11.641 -3.353 -4.902 1.00 0.00 C ATOM 329 C GLU A 24 10.795 -2.890 -3.719 1.00 0.00 C ATOM 330 O GLU A 24 10.969 -3.363 -2.596 1.00 0.00 O ATOM 331 CB GLU A 24 11.691 -4.882 -4.939 1.00 0.00 C ATOM 332 CG GLU A 24 10.327 -5.533 -5.092 1.00 0.00 C ATOM 333 CD GLU A 24 10.402 -7.047 -5.114 1.00 0.00 C ATOM 334 OE1 GLU A 24 10.697 -7.641 -4.056 1.00 0.00 O ATOM 335 OE2 GLU A 24 10.166 -7.638 -6.189 1.00 0.00 O ATOM 0 H GLU A 24 13.661 -3.399 -4.342 1.00 0.00 H new ATOM 0 HA GLU A 24 11.180 -2.989 -5.820 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.329 -5.196 -5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.156 -5.244 -4.022 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.684 -5.217 -4.271 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.863 -5.183 -6.014 1.00 0.00 H new ATOM 342 N ILE A 25 9.881 -1.962 -3.981 1.00 0.00 N ATOM 343 CA ILE A 25 9.008 -1.435 -2.939 1.00 0.00 C ATOM 344 C ILE A 25 8.232 -2.555 -2.253 1.00 0.00 C ATOM 345 O ILE A 25 7.956 -3.592 -2.857 1.00 0.00 O ATOM 346 CB ILE A 25 8.011 -0.407 -3.506 1.00 0.00 C ATOM 347 CG1 ILE A 25 8.760 0.742 -4.184 1.00 0.00 C ATOM 348 CG2 ILE A 25 7.108 0.120 -2.401 1.00 0.00 C ATOM 349 CD1 ILE A 25 9.656 1.517 -3.244 1.00 0.00 C ATOM 0 H ILE A 25 9.726 -1.560 -4.905 1.00 0.00 H new ATOM 0 HA ILE A 25 9.650 -0.942 -2.209 1.00 0.00 H new ATOM 0 HB ILE A 25 7.388 -0.900 -4.253 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.362 0.341 -4.999 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.036 1.425 -4.628 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.409 0.845 -2.817 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.552 -0.707 -1.960 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.715 0.600 -1.633 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.155 2.316 -3.793 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.056 1.947 -2.442 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.403 0.847 -2.819 1.00 0.00 H new ATOM 361 N CYS A 26 7.883 -2.337 -0.990 1.00 0.00 N ATOM 362 CA CYS A 26 7.137 -3.328 -0.222 1.00 0.00 C ATOM 363 C CYS A 26 6.266 -2.654 0.833 1.00 0.00 C ATOM 364 O CYS A 26 6.680 -1.683 1.468 1.00 0.00 O ATOM 365 CB CYS A 26 8.097 -4.314 0.446 1.00 0.00 C ATOM 366 SG CYS A 26 9.126 -3.581 1.740 1.00 0.00 S ATOM 0 H CYS A 26 8.104 -1.484 -0.476 1.00 0.00 H new ATOM 0 HA CYS A 26 6.489 -3.872 -0.909 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.519 -5.132 0.876 1.00 0.00 H new ATOM 0 HB3 CYS A 26 8.744 -4.747 -0.316 1.00 0.00 H new ATOM 0 HG CYS A 26 8.472 -2.620 2.322 1.00 0.00 H new ATOM 372 N LEU A 27 5.057 -3.174 1.014 1.00 0.00 N ATOM 373 CA LEU A 27 4.125 -2.622 1.991 1.00 0.00 C ATOM 374 C LEU A 27 3.133 -3.683 2.458 1.00 0.00 C ATOM 375 O LEU A 27 2.240 -4.084 1.712 1.00 0.00 O ATOM 376 CB LEU A 27 3.372 -1.432 1.392 1.00 0.00 C ATOM 377 CG LEU A 27 4.225 -0.222 1.011 1.00 0.00 C ATOM 378 CD1 LEU A 27 3.413 0.764 0.185 1.00 0.00 C ATOM 379 CD2 LEU A 27 4.779 0.454 2.257 1.00 0.00 C ATOM 0 H LEU A 27 4.699 -3.977 0.497 1.00 0.00 H new ATOM 0 HA LEU A 27 4.700 -2.284 2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.843 -1.773 0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.616 -1.108 2.108 1.00 0.00 H new ATOM 0 HG LEU A 27 5.063 -0.568 0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.036 1.619 -0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.065 0.276 -0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.555 1.105 0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.384 1.313 1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.954 0.787 2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.396 -0.253 2.811 1.00 0.00 H new ATOM 391 N LYS A 28 3.295 -4.132 3.697 1.00 0.00 N ATOM 392 CA LYS A 28 2.413 -5.144 4.267 1.00 0.00 C ATOM 393 C LYS A 28 1.651 -4.589 5.466 1.00 0.00 C ATOM 394 O LYS A 28 2.216 -3.878 6.297 1.00 0.00 O ATOM 395 CB LYS A 28 3.219 -6.375 4.687 1.00 0.00 C ATOM 396 CG LYS A 28 2.416 -7.382 5.492 1.00 0.00 C ATOM 397 CD LYS A 28 3.309 -8.453 6.094 1.00 0.00 C ATOM 398 CE LYS A 28 2.543 -9.743 6.343 1.00 0.00 C ATOM 399 NZ LYS A 28 1.640 -9.634 7.522 1.00 0.00 N ATOM 0 H LYS A 28 4.030 -3.811 4.327 1.00 0.00 H new ATOM 0 HA LYS A 28 1.692 -5.433 3.503 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.610 -6.864 3.795 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.078 -6.053 5.276 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.877 -6.867 6.287 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.668 -7.849 4.851 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.146 -8.649 5.424 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.730 -8.092 7.032 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.957 -9.994 5.459 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.248 -10.559 6.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.455 -10.582 7.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.091 -9.046 8.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.742 -9.197 7.232 1.00 0.00 H new ATOM 413 N CYS A 29 0.366 -4.918 5.548 1.00 0.00 N ATOM 414 CA CYS A 29 -0.473 -4.453 6.647 1.00 0.00 C ATOM 415 C CYS A 29 -1.534 -5.491 6.998 1.00 0.00 C ATOM 416 O CYS A 29 -2.133 -6.103 6.115 1.00 0.00 O ATOM 417 CB CYS A 29 -1.142 -3.128 6.279 1.00 0.00 C ATOM 418 SG CYS A 29 -2.142 -3.198 4.774 1.00 0.00 S ATOM 0 H CYS A 29 -0.117 -5.504 4.867 1.00 0.00 H new ATOM 0 HA CYS A 29 0.164 -4.301 7.519 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.774 -2.810 7.108 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.372 -2.367 6.155 1.00 0.00 H new ATOM 0 HG CYS A 29 -1.576 -3.990 3.913 1.00 0.00 H new ATOM 424 N GLU A 30 -1.758 -5.686 8.294 1.00 0.00 N ATOM 425 CA GLU A 30 -2.744 -6.652 8.761 1.00 0.00 C ATOM 426 C GLU A 30 -3.909 -5.950 9.453 1.00 0.00 C ATOM 427 O GLU A 30 -3.771 -4.825 9.935 1.00 0.00 O ATOM 428 CB GLU A 30 -2.096 -7.653 9.720 1.00 0.00 C ATOM 429 CG GLU A 30 -3.067 -8.682 10.274 1.00 0.00 C ATOM 430 CD GLU A 30 -2.432 -9.580 11.318 1.00 0.00 C ATOM 431 OE1 GLU A 30 -1.742 -9.053 12.215 1.00 0.00 O ATOM 432 OE2 GLU A 30 -2.627 -10.811 11.238 1.00 0.00 O ATOM 0 H GLU A 30 -1.270 -5.188 9.038 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.129 -7.188 7.893 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.289 -8.170 9.201 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.644 -7.109 10.549 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.923 -8.169 10.713 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.448 -9.294 9.456 1.00 0.00 H new ATOM 439 N ILE A 31 -5.055 -6.621 9.495 1.00 0.00 N ATOM 440 CA ILE A 31 -6.244 -6.062 10.127 1.00 0.00 C ATOM 441 C ILE A 31 -7.051 -7.145 10.835 1.00 0.00 C ATOM 442 O ILE A 31 -6.977 -8.321 10.480 1.00 0.00 O ATOM 443 CB ILE A 31 -7.147 -5.353 9.101 1.00 0.00 C ATOM 444 CG1 ILE A 31 -7.338 -6.233 7.864 1.00 0.00 C ATOM 445 CG2 ILE A 31 -6.553 -4.007 8.713 1.00 0.00 C ATOM 446 CD1 ILE A 31 -8.315 -5.660 6.860 1.00 0.00 C ATOM 0 H ILE A 31 -5.185 -7.552 9.099 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.898 -5.332 10.859 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.122 -5.180 9.556 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.373 -6.377 7.378 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.687 -7.217 8.178 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -7.203 -3.518 7.987 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.463 -3.380 9.600 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.567 -4.158 8.274 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.401 -6.336 6.009 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.292 -5.541 7.329 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.957 -4.689 6.517 1.00 0.00 H new ATOM 458 N SER A 32 -7.823 -6.739 11.838 1.00 0.00 N ATOM 459 CA SER A 32 -8.644 -7.675 12.598 1.00 0.00 C ATOM 460 C SER A 32 -9.930 -8.003 11.847 1.00 0.00 C ATOM 461 O SER A 32 -11.017 -8.000 12.425 1.00 0.00 O ATOM 462 CB SER A 32 -8.977 -7.094 13.974 1.00 0.00 C ATOM 463 OG SER A 32 -9.452 -8.100 14.851 1.00 0.00 O ATOM 0 H SER A 32 -7.897 -5.769 12.143 1.00 0.00 H new ATOM 0 HA SER A 32 -8.075 -8.596 12.729 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.089 -6.626 14.399 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.730 -6.313 13.870 1.00 0.00 H new ATOM 0 HG SER A 32 -10.230 -8.542 14.451 1.00 0.00 H new ATOM 469 N GLU A 33 -9.799 -8.286 10.555 1.00 0.00 N ATOM 470 CA GLU A 33 -10.951 -8.615 9.724 1.00 0.00 C ATOM 471 C GLU A 33 -10.507 -9.185 8.380 1.00 0.00 C ATOM 472 O GLU A 33 -9.382 -8.955 7.937 1.00 0.00 O ATOM 473 CB GLU A 33 -11.819 -7.375 9.503 1.00 0.00 C ATOM 474 CG GLU A 33 -13.233 -7.695 9.047 1.00 0.00 C ATOM 475 CD GLU A 33 -14.026 -8.454 10.094 1.00 0.00 C ATOM 476 OE1 GLU A 33 -13.736 -9.650 10.306 1.00 0.00 O ATOM 477 OE2 GLU A 33 -14.935 -7.850 10.700 1.00 0.00 O ATOM 0 H GLU A 33 -8.907 -8.294 10.061 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.538 -9.372 10.244 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.866 -6.805 10.431 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -11.342 -6.736 8.760 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.752 -6.767 8.806 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.191 -8.284 8.131 1.00 0.00 H new ATOM 484 N ASN A 34 -11.400 -9.930 7.736 1.00 0.00 N ATOM 485 CA ASN A 34 -11.101 -10.535 6.443 1.00 0.00 C ATOM 486 C ASN A 34 -11.935 -9.895 5.337 1.00 0.00 C ATOM 487 O ASN A 34 -13.001 -10.397 4.981 1.00 0.00 O ATOM 488 CB ASN A 34 -11.363 -12.041 6.488 1.00 0.00 C ATOM 489 CG ASN A 34 -11.437 -12.657 5.104 1.00 0.00 C ATOM 490 OD1 ASN A 34 -12.523 -12.864 4.562 1.00 0.00 O ATOM 491 ND2 ASN A 34 -10.279 -12.952 4.525 1.00 0.00 N ATOM 0 H ASN A 34 -12.336 -10.129 8.088 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.047 -10.363 6.225 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -10.571 -12.528 7.057 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -12.298 -12.229 7.017 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.266 -13.368 3.594 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.403 -12.763 5.012 1.00 0.00 H new ATOM 498 N ILE A 35 -11.442 -8.785 4.799 1.00 0.00 N ATOM 499 CA ILE A 35 -12.141 -8.077 3.733 1.00 0.00 C ATOM 500 C ILE A 35 -11.156 -7.419 2.773 1.00 0.00 C ATOM 501 O ILE A 35 -10.073 -6.979 3.159 1.00 0.00 O ATOM 502 CB ILE A 35 -13.087 -7.002 4.298 1.00 0.00 C ATOM 503 CG1 ILE A 35 -12.289 -5.924 5.034 1.00 0.00 C ATOM 504 CG2 ILE A 35 -14.114 -7.634 5.225 1.00 0.00 C ATOM 505 CD1 ILE A 35 -12.937 -4.558 4.993 1.00 0.00 C ATOM 0 H ILE A 35 -10.561 -8.356 5.083 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.729 -8.819 3.193 1.00 0.00 H new ATOM 0 HB ILE A 35 -13.616 -6.533 3.468 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -12.160 -6.225 6.074 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.293 -5.858 4.596 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.775 -6.861 5.616 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.701 -8.368 4.672 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.603 -8.127 6.052 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -12.316 -3.844 5.535 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -13.041 -4.236 3.957 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -13.922 -4.608 5.458 1.00 0.00 H new ATOM 517 N PRO A 36 -11.540 -7.346 1.490 1.00 0.00 N ATOM 518 CA PRO A 36 -10.707 -6.740 0.447 1.00 0.00 C ATOM 519 C PRO A 36 -10.594 -5.227 0.601 1.00 0.00 C ATOM 520 O PRO A 36 -11.510 -4.574 1.100 1.00 0.00 O ATOM 521 CB PRO A 36 -11.445 -7.092 -0.847 1.00 0.00 C ATOM 522 CG PRO A 36 -12.864 -7.281 -0.434 1.00 0.00 C ATOM 523 CD PRO A 36 -12.818 -7.849 0.958 1.00 0.00 C ATOM 0 HA PRO A 36 -9.681 -7.107 0.482 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.350 -6.296 -1.586 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.040 -7.997 -1.300 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.405 -6.335 -0.452 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.382 -7.957 -1.114 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.663 -7.512 1.558 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.848 -8.939 0.949 1.00 0.00 H new ATOM 531 N GLY A 37 -9.464 -4.675 0.169 1.00 0.00 N ATOM 532 CA GLY A 37 -9.254 -3.242 0.268 1.00 0.00 C ATOM 533 C GLY A 37 -8.530 -2.678 -0.938 1.00 0.00 C ATOM 534 O GLY A 37 -7.992 -3.426 -1.756 1.00 0.00 O ATOM 0 H GLY A 37 -8.691 -5.194 -0.247 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.217 -2.743 0.376 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.679 -3.023 1.168 1.00 0.00 H new ATOM 538 N LYS A 38 -8.516 -1.355 -1.053 1.00 0.00 N ATOM 539 CA LYS A 38 -7.854 -0.689 -2.168 1.00 0.00 C ATOM 540 C LYS A 38 -6.816 0.310 -1.667 1.00 0.00 C ATOM 541 O LYS A 38 -6.939 0.847 -0.566 1.00 0.00 O ATOM 542 CB LYS A 38 -8.884 0.026 -3.046 1.00 0.00 C ATOM 543 CG LYS A 38 -8.330 0.478 -4.387 1.00 0.00 C ATOM 544 CD LYS A 38 -9.364 1.257 -5.183 1.00 0.00 C ATOM 545 CE LYS A 38 -10.439 0.340 -5.748 1.00 0.00 C ATOM 546 NZ LYS A 38 -11.219 1.002 -6.830 1.00 0.00 N ATOM 0 H LYS A 38 -8.957 -0.721 -0.386 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.344 -1.448 -2.761 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.729 -0.641 -3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.267 0.894 -2.509 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.449 1.099 -4.227 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.007 -0.391 -4.960 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.825 2.010 -4.544 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.873 1.789 -5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.975 -0.567 -6.137 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.114 0.035 -4.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.941 0.345 -7.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.682 1.853 -6.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.579 1.270 -7.605 1.00 0.00 H new ATOM 560 N TRP A 39 -5.797 0.556 -2.482 1.00 0.00 N ATOM 561 CA TRP A 39 -4.739 1.493 -2.121 1.00 0.00 C ATOM 562 C TRP A 39 -4.923 2.825 -2.838 1.00 0.00 C ATOM 563 O TRP A 39 -5.576 2.896 -3.881 1.00 0.00 O ATOM 564 CB TRP A 39 -3.369 0.902 -2.460 1.00 0.00 C ATOM 565 CG TRP A 39 -3.115 -0.422 -1.805 1.00 0.00 C ATOM 566 CD1 TRP A 39 -3.726 -1.609 -2.092 1.00 0.00 C ATOM 567 CD2 TRP A 39 -2.182 -0.692 -0.753 1.00 0.00 C ATOM 568 NE1 TRP A 39 -3.230 -2.601 -1.281 1.00 0.00 N ATOM 569 CE2 TRP A 39 -2.281 -2.064 -0.451 1.00 0.00 C ATOM 570 CE3 TRP A 39 -1.272 0.091 -0.038 1.00 0.00 C ATOM 571 CZ2 TRP A 39 -1.505 -2.667 0.535 1.00 0.00 C ATOM 572 CZ3 TRP A 39 -0.503 -0.509 0.941 1.00 0.00 C ATOM 573 CH2 TRP A 39 -0.622 -1.877 1.219 1.00 0.00 C ATOM 0 H TRP A 39 -5.681 0.120 -3.397 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.795 1.670 -1.047 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -3.289 0.786 -3.541 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -2.593 1.604 -2.156 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.487 -1.748 -2.846 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.521 -3.579 -1.295 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.171 1.146 -0.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.597 -3.721 0.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 0.202 0.087 1.502 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -0.005 -2.317 1.988 1.00 0.00 H new ATOM 584 N THR A 40 -4.345 3.882 -2.275 1.00 0.00 N ATOM 585 CA THR A 40 -4.447 5.212 -2.861 1.00 0.00 C ATOM 586 C THR A 40 -3.199 6.038 -2.569 1.00 0.00 C ATOM 587 O THR A 40 -2.707 6.063 -1.441 1.00 0.00 O ATOM 588 CB THR A 40 -5.682 5.966 -2.332 1.00 0.00 C ATOM 589 OG1 THR A 40 -5.701 5.933 -0.901 1.00 0.00 O ATOM 590 CG2 THR A 40 -6.963 5.352 -2.875 1.00 0.00 C ATOM 0 H THR A 40 -3.801 3.842 -1.413 1.00 0.00 H new ATOM 0 HA THR A 40 -4.547 5.076 -3.938 1.00 0.00 H new ATOM 0 HB THR A 40 -5.621 7.001 -2.670 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.886 5.499 -0.573 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.822 5.901 -2.488 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.959 5.405 -3.964 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.028 4.310 -2.563 1.00 0.00 H new ATOM 598 N LYS A 41 -2.690 6.714 -3.594 1.00 0.00 N ATOM 599 CA LYS A 41 -1.500 7.544 -3.448 1.00 0.00 C ATOM 600 C LYS A 41 -1.825 9.011 -3.707 1.00 0.00 C ATOM 601 O LYS A 41 -2.619 9.335 -4.589 1.00 0.00 O ATOM 602 CB LYS A 41 -0.406 7.075 -4.411 1.00 0.00 C ATOM 603 CG LYS A 41 0.860 7.912 -4.345 1.00 0.00 C ATOM 604 CD LYS A 41 1.984 7.286 -5.155 1.00 0.00 C ATOM 605 CE LYS A 41 3.323 7.937 -4.844 1.00 0.00 C ATOM 606 NZ LYS A 41 3.340 9.378 -5.219 1.00 0.00 N ATOM 0 H LYS A 41 -3.083 6.703 -4.535 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.141 7.445 -2.423 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.158 6.037 -4.188 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.795 7.099 -5.429 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.655 8.915 -4.720 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.174 8.018 -3.307 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.038 6.219 -4.940 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.767 7.386 -6.219 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.537 7.836 -3.780 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.115 7.413 -5.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.261 9.616 -5.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.585 9.566 -5.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.187 9.959 -4.370 1.00 0.00 H new ATOM 620 N ASN A 42 -1.204 9.896 -2.933 1.00 0.00 N ATOM 621 CA ASN A 42 -1.427 11.329 -3.079 1.00 0.00 C ATOM 622 C ASN A 42 -2.903 11.628 -3.324 1.00 0.00 C ATOM 623 O ASN A 42 -3.246 12.555 -4.056 1.00 0.00 O ATOM 624 CB ASN A 42 -0.585 11.882 -4.231 1.00 0.00 C ATOM 625 CG ASN A 42 0.904 11.741 -3.980 1.00 0.00 C ATOM 626 OD1 ASN A 42 1.343 11.629 -2.835 1.00 0.00 O ATOM 627 ND2 ASN A 42 1.688 11.745 -5.052 1.00 0.00 N ATOM 0 H ASN A 42 -0.542 9.645 -2.198 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.126 11.815 -2.151 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.846 11.360 -5.151 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.827 12.934 -4.382 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.698 11.653 -4.945 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.280 11.840 -5.982 1.00 0.00 H new ATOM 634 N GLY A 43 -3.772 10.836 -2.704 1.00 0.00 N ATOM 635 CA GLY A 43 -5.201 11.032 -2.866 1.00 0.00 C ATOM 636 C GLY A 43 -5.684 10.657 -4.253 1.00 0.00 C ATOM 637 O GLY A 43 -6.403 11.422 -4.897 1.00 0.00 O ATOM 0 H GLY A 43 -3.512 10.062 -2.092 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.733 10.434 -2.126 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.446 12.076 -2.669 1.00 0.00 H new ATOM 641 N LEU A 44 -5.287 9.476 -4.717 1.00 0.00 N ATOM 642 CA LEU A 44 -5.683 9.001 -6.038 1.00 0.00 C ATOM 643 C LEU A 44 -5.660 7.477 -6.098 1.00 0.00 C ATOM 644 O LEU A 44 -4.872 6.817 -5.421 1.00 0.00 O ATOM 645 CB LEU A 44 -4.756 9.579 -7.108 1.00 0.00 C ATOM 646 CG LEU A 44 -3.504 8.760 -7.426 1.00 0.00 C ATOM 647 CD1 LEU A 44 -3.818 7.681 -8.450 1.00 0.00 C ATOM 648 CD2 LEU A 44 -2.387 9.665 -7.926 1.00 0.00 C ATOM 0 H LEU A 44 -4.692 8.831 -4.198 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.702 9.338 -6.228 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.328 9.702 -8.028 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.444 10.574 -6.791 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.168 8.275 -6.510 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.915 7.109 -8.664 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.585 7.015 -8.054 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.180 8.145 -9.368 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.504 9.065 -8.147 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.712 10.179 -8.830 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.143 10.400 -7.159 1.00 0.00 H new ATOM 660 N PRO A 45 -6.542 6.904 -6.930 1.00 0.00 N ATOM 661 CA PRO A 45 -6.641 5.451 -7.101 1.00 0.00 C ATOM 662 C PRO A 45 -5.432 4.870 -7.825 1.00 0.00 C ATOM 663 O PRO A 45 -5.338 4.937 -9.051 1.00 0.00 O ATOM 664 CB PRO A 45 -7.905 5.279 -7.947 1.00 0.00 C ATOM 665 CG PRO A 45 -8.045 6.565 -8.686 1.00 0.00 C ATOM 666 CD PRO A 45 -7.511 7.630 -7.768 1.00 0.00 C ATOM 0 HA PRO A 45 -6.678 4.929 -6.145 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.811 4.437 -8.633 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.776 5.085 -7.322 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.486 6.540 -9.622 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.087 6.757 -8.942 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.035 8.438 -8.324 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.304 8.079 -7.169 1.00 0.00 H new ATOM 674 N VAL A 46 -4.508 4.297 -7.059 1.00 0.00 N ATOM 675 CA VAL A 46 -3.305 3.701 -7.629 1.00 0.00 C ATOM 676 C VAL A 46 -3.645 2.797 -8.809 1.00 0.00 C ATOM 677 O VAL A 46 -4.622 2.051 -8.769 1.00 0.00 O ATOM 678 CB VAL A 46 -2.532 2.884 -6.577 1.00 0.00 C ATOM 679 CG1 VAL A 46 -1.280 2.274 -7.189 1.00 0.00 C ATOM 680 CG2 VAL A 46 -2.179 3.755 -5.380 1.00 0.00 C ATOM 0 H VAL A 46 -4.570 4.233 -6.043 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.677 4.523 -7.974 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.172 2.072 -6.231 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.747 1.700 -6.431 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.561 1.616 -8.011 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.634 3.068 -7.564 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.633 3.162 -4.647 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.558 4.589 -5.707 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.093 4.140 -4.928 1.00 0.00 H new ATOM 690 N GLN A 47 -2.831 2.871 -9.857 1.00 0.00 N ATOM 691 CA GLN A 47 -3.046 2.059 -11.049 1.00 0.00 C ATOM 692 C GLN A 47 -2.301 0.732 -10.945 1.00 0.00 C ATOM 693 O GLN A 47 -1.187 0.675 -10.427 1.00 0.00 O ATOM 694 CB GLN A 47 -2.591 2.817 -12.297 1.00 0.00 C ATOM 695 CG GLN A 47 -1.102 3.125 -12.312 1.00 0.00 C ATOM 696 CD GLN A 47 -0.575 3.391 -13.709 1.00 0.00 C ATOM 697 OE1 GLN A 47 -0.738 4.486 -14.248 1.00 0.00 O ATOM 698 NE2 GLN A 47 0.060 2.388 -14.303 1.00 0.00 N ATOM 0 H GLN A 47 -2.017 3.484 -9.905 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.113 1.850 -11.129 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.841 2.229 -13.180 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.148 3.751 -12.368 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.908 3.994 -11.683 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.557 2.288 -11.876 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.172 1.497 -13.819 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.436 2.508 -15.244 1.00 0.00 H new ATOM 707 N GLU A 48 -2.926 -0.332 -11.441 1.00 0.00 N ATOM 708 CA GLU A 48 -2.321 -1.658 -11.403 1.00 0.00 C ATOM 709 C GLU A 48 -1.729 -2.026 -12.760 1.00 0.00 C ATOM 710 O GLU A 48 -2.171 -1.530 -13.797 1.00 0.00 O ATOM 711 CB GLU A 48 -3.358 -2.703 -10.986 1.00 0.00 C ATOM 712 CG GLU A 48 -3.684 -2.679 -9.502 1.00 0.00 C ATOM 713 CD GLU A 48 -4.646 -3.780 -9.098 1.00 0.00 C ATOM 714 OE1 GLU A 48 -5.867 -3.595 -9.281 1.00 0.00 O ATOM 715 OE2 GLU A 48 -4.178 -4.824 -8.599 1.00 0.00 O ATOM 0 H GLU A 48 -3.849 -0.301 -11.873 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.516 -1.641 -10.668 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.274 -2.540 -11.553 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.990 -3.694 -11.253 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.762 -2.779 -8.930 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.116 -1.712 -9.244 1.00 0.00 H new ATOM 722 N SER A 49 -0.727 -2.898 -12.745 1.00 0.00 N ATOM 723 CA SER A 49 -0.071 -3.330 -13.974 1.00 0.00 C ATOM 724 C SER A 49 0.900 -4.475 -13.699 1.00 0.00 C ATOM 725 O SER A 49 1.268 -4.729 -12.552 1.00 0.00 O ATOM 726 CB SER A 49 0.674 -2.159 -14.618 1.00 0.00 C ATOM 727 OG SER A 49 -0.169 -1.443 -15.504 1.00 0.00 O ATOM 0 H SER A 49 -0.351 -3.320 -11.896 1.00 0.00 H new ATOM 0 HA SER A 49 -0.839 -3.685 -14.661 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.044 -1.489 -13.842 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.544 -2.531 -15.160 1.00 0.00 H new ATOM 0 HG SER A 49 -1.017 -1.240 -15.057 1.00 0.00 H new ATOM 733 N ASP A 50 1.310 -5.162 -14.759 1.00 0.00 N ATOM 734 CA ASP A 50 2.238 -6.280 -14.633 1.00 0.00 C ATOM 735 C ASP A 50 3.267 -6.011 -13.540 1.00 0.00 C ATOM 736 O ASP A 50 3.565 -6.885 -12.726 1.00 0.00 O ATOM 737 CB ASP A 50 2.946 -6.535 -15.965 1.00 0.00 C ATOM 738 CG ASP A 50 4.101 -5.581 -16.199 1.00 0.00 C ATOM 739 OD1 ASP A 50 3.861 -4.480 -16.739 1.00 0.00 O ATOM 740 OD2 ASP A 50 5.243 -5.935 -15.842 1.00 0.00 O ATOM 0 H ASP A 50 1.015 -4.965 -15.715 1.00 0.00 H new ATOM 0 HA ASP A 50 1.666 -7.166 -14.359 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.315 -7.560 -15.986 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.228 -6.438 -16.779 1.00 0.00 H new ATOM 745 N ARG A 51 3.807 -4.797 -13.528 1.00 0.00 N ATOM 746 CA ARG A 51 4.805 -4.414 -12.536 1.00 0.00 C ATOM 747 C ARG A 51 4.166 -4.239 -11.162 1.00 0.00 C ATOM 748 O ARG A 51 4.699 -4.705 -10.153 1.00 0.00 O ATOM 749 CB ARG A 51 5.500 -3.117 -12.955 1.00 0.00 C ATOM 750 CG ARG A 51 4.548 -1.948 -13.141 1.00 0.00 C ATOM 751 CD ARG A 51 5.249 -0.753 -13.768 1.00 0.00 C ATOM 752 NE ARG A 51 5.835 0.128 -12.761 1.00 0.00 N ATOM 753 CZ ARG A 51 5.118 0.897 -11.950 1.00 0.00 C ATOM 754 NH1 ARG A 51 3.794 0.893 -12.025 1.00 0.00 N ATOM 755 NH2 ARG A 51 5.724 1.671 -11.059 1.00 0.00 N ATOM 0 H ARG A 51 3.570 -4.061 -14.194 1.00 0.00 H new ATOM 0 HA ARG A 51 5.545 -5.212 -12.475 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.243 -2.853 -12.202 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.038 -3.288 -13.887 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.713 -2.254 -13.772 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.130 -1.661 -12.176 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.031 -1.104 -14.442 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.537 -0.190 -14.372 1.00 0.00 H new ATOM 0 HE ARG A 51 6.851 0.154 -12.676 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.324 0.298 -12.707 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.246 1.485 -11.401 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.742 1.676 -10.996 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.172 2.261 -10.437 1.00 0.00 H new ATOM 769 N LEU A 52 3.021 -3.566 -11.128 1.00 0.00 N ATOM 770 CA LEU A 52 2.309 -3.329 -9.878 1.00 0.00 C ATOM 771 C LEU A 52 1.297 -4.439 -9.609 1.00 0.00 C ATOM 772 O LEU A 52 0.287 -4.555 -10.304 1.00 0.00 O ATOM 773 CB LEU A 52 1.598 -1.975 -9.921 1.00 0.00 C ATOM 774 CG LEU A 52 1.179 -1.394 -8.570 1.00 0.00 C ATOM 775 CD1 LEU A 52 1.160 0.126 -8.626 1.00 0.00 C ATOM 776 CD2 LEU A 52 -0.184 -1.931 -8.159 1.00 0.00 C ATOM 0 H LEU A 52 2.566 -3.175 -11.953 1.00 0.00 H new ATOM 0 HA LEU A 52 3.039 -3.323 -9.069 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.254 -1.258 -10.415 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.708 -2.074 -10.543 1.00 0.00 H new ATOM 0 HG LEU A 52 1.909 -1.701 -7.821 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.860 0.522 -7.656 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.155 0.493 -8.876 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.451 0.453 -9.387 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.467 -1.507 -7.195 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.925 -1.654 -8.909 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.138 -3.017 -8.078 1.00 0.00 H new ATOM 788 N LYS A 53 1.573 -5.251 -8.594 1.00 0.00 N ATOM 789 CA LYS A 53 0.687 -6.350 -8.230 1.00 0.00 C ATOM 790 C LYS A 53 0.308 -6.277 -6.754 1.00 0.00 C ATOM 791 O LYS A 53 1.176 -6.218 -5.882 1.00 0.00 O ATOM 792 CB LYS A 53 1.356 -7.693 -8.529 1.00 0.00 C ATOM 793 CG LYS A 53 0.385 -8.861 -8.568 1.00 0.00 C ATOM 794 CD LYS A 53 1.004 -10.079 -9.233 1.00 0.00 C ATOM 795 CE LYS A 53 -0.049 -10.932 -9.924 1.00 0.00 C ATOM 796 NZ LYS A 53 0.497 -12.251 -10.349 1.00 0.00 N ATOM 0 H LYS A 53 2.404 -5.168 -8.009 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.222 -6.263 -8.826 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.871 -7.627 -9.487 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.115 -7.888 -7.772 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.080 -9.115 -7.553 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.516 -8.569 -9.108 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.749 -9.758 -9.961 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.525 -10.677 -8.486 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.890 -11.088 -9.249 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.433 -10.400 -10.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.251 -12.802 -10.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.284 -12.103 -11.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.840 -12.769 -9.515 1.00 0.00 H new ATOM 810 N VAL A 54 -0.992 -6.281 -6.480 1.00 0.00 N ATOM 811 CA VAL A 54 -1.486 -6.218 -5.109 1.00 0.00 C ATOM 812 C VAL A 54 -1.913 -7.596 -4.615 1.00 0.00 C ATOM 813 O VAL A 54 -2.991 -8.083 -4.955 1.00 0.00 O ATOM 814 CB VAL A 54 -2.676 -5.249 -4.985 1.00 0.00 C ATOM 815 CG1 VAL A 54 -3.214 -5.243 -3.562 1.00 0.00 C ATOM 816 CG2 VAL A 54 -2.268 -3.848 -5.415 1.00 0.00 C ATOM 0 H VAL A 54 -1.723 -6.327 -7.190 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.664 -5.853 -4.493 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.472 -5.591 -5.647 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.055 -4.552 -3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.546 -6.246 -3.294 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.428 -4.926 -2.877 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.121 -3.176 -5.321 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.456 -3.495 -4.780 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.935 -3.868 -6.453 1.00 0.00 H new ATOM 826 N VAL A 55 -1.060 -8.220 -3.809 1.00 0.00 N ATOM 827 CA VAL A 55 -1.349 -9.542 -3.266 1.00 0.00 C ATOM 828 C VAL A 55 -2.018 -9.440 -1.900 1.00 0.00 C ATOM 829 O VAL A 55 -1.635 -8.615 -1.071 1.00 0.00 O ATOM 830 CB VAL A 55 -0.069 -10.388 -3.136 1.00 0.00 C ATOM 831 CG1 VAL A 55 -0.397 -11.777 -2.611 1.00 0.00 C ATOM 832 CG2 VAL A 55 0.653 -10.470 -4.472 1.00 0.00 C ATOM 0 H VAL A 55 -0.163 -7.831 -3.518 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.028 -10.030 -3.965 1.00 0.00 H new ATOM 0 HB VAL A 55 0.595 -9.903 -2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.520 -12.360 -2.526 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.866 -11.694 -1.631 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.080 -12.274 -3.299 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.555 -11.072 -4.362 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.002 -10.930 -5.212 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.924 -9.467 -4.801 1.00 0.00 H new ATOM 842 N GLN A 56 -3.020 -10.284 -1.673 1.00 0.00 N ATOM 843 CA GLN A 56 -3.743 -10.288 -0.407 1.00 0.00 C ATOM 844 C GLN A 56 -3.787 -11.691 0.190 1.00 0.00 C ATOM 845 O GLN A 56 -4.040 -12.669 -0.514 1.00 0.00 O ATOM 846 CB GLN A 56 -5.164 -9.760 -0.605 1.00 0.00 C ATOM 847 CG GLN A 56 -5.926 -9.560 0.695 1.00 0.00 C ATOM 848 CD GLN A 56 -7.424 -9.718 0.525 1.00 0.00 C ATOM 849 OE1 GLN A 56 -7.939 -9.695 -0.594 1.00 0.00 O ATOM 850 NE2 GLN A 56 -8.133 -9.881 1.635 1.00 0.00 N ATOM 0 H GLN A 56 -3.349 -10.973 -2.349 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.214 -9.634 0.287 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.119 -8.811 -1.139 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.716 -10.456 -1.237 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.571 -10.278 1.434 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.712 -8.566 1.088 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.666 -9.894 2.541 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.145 -9.993 1.582 1.00 0.00 H new ATOM 859 N LYS A 57 -3.541 -11.783 1.492 1.00 0.00 N ATOM 860 CA LYS A 57 -3.553 -13.066 2.185 1.00 0.00 C ATOM 861 C LYS A 57 -4.520 -13.038 3.365 1.00 0.00 C ATOM 862 O LYS A 57 -4.173 -12.581 4.453 1.00 0.00 O ATOM 863 CB LYS A 57 -2.147 -13.419 2.673 1.00 0.00 C ATOM 864 CG LYS A 57 -1.243 -13.965 1.581 1.00 0.00 C ATOM 865 CD LYS A 57 -1.651 -15.370 1.170 1.00 0.00 C ATOM 866 CE LYS A 57 -0.657 -15.975 0.190 1.00 0.00 C ATOM 867 NZ LYS A 57 -0.876 -17.437 0.011 1.00 0.00 N ATOM 0 H LYS A 57 -3.331 -10.984 2.089 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.888 -13.828 1.481 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.687 -12.529 3.103 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.223 -14.156 3.472 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.280 -13.306 0.714 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.211 -13.973 1.932 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.722 -16.003 2.055 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.642 -15.344 0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.746 -15.474 -0.774 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.358 -15.801 0.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.179 -17.812 -0.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.766 -17.919 0.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.836 -17.602 -0.354 1.00 0.00 H new ATOM 881 N GLY A 58 -5.735 -13.530 3.141 1.00 0.00 N ATOM 882 CA GLY A 58 -6.732 -13.552 4.195 1.00 0.00 C ATOM 883 C GLY A 58 -6.981 -12.179 4.787 1.00 0.00 C ATOM 884 O GLY A 58 -7.690 -11.362 4.198 1.00 0.00 O ATOM 0 H GLY A 58 -6.046 -13.914 2.249 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.667 -13.948 3.798 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.407 -14.231 4.984 1.00 0.00 H new ATOM 888 N ARG A 59 -6.399 -11.924 5.954 1.00 0.00 N ATOM 889 CA ARG A 59 -6.565 -10.641 6.626 1.00 0.00 C ATOM 890 C ARG A 59 -5.279 -9.823 6.560 1.00 0.00 C ATOM 891 O ARG A 59 -4.860 -9.225 7.552 1.00 0.00 O ATOM 892 CB ARG A 59 -6.971 -10.855 8.086 1.00 0.00 C ATOM 893 CG ARG A 59 -8.234 -11.685 8.251 1.00 0.00 C ATOM 894 CD ARG A 59 -8.527 -11.968 9.716 1.00 0.00 C ATOM 895 NE ARG A 59 -9.490 -13.052 9.883 1.00 0.00 N ATOM 896 CZ ARG A 59 -9.235 -14.317 9.567 1.00 0.00 C ATOM 897 NH1 ARG A 59 -8.052 -14.654 9.072 1.00 0.00 N ATOM 898 NH2 ARG A 59 -10.164 -15.248 9.748 1.00 0.00 N ATOM 0 H ARG A 59 -5.808 -12.589 6.454 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.353 -10.090 6.113 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.153 -11.345 8.614 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.120 -9.884 8.559 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.078 -11.158 7.805 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.125 -12.626 7.712 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.600 -12.225 10.228 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.912 -11.065 10.189 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.409 -12.826 10.263 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.336 -13.941 8.933 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.858 -15.626 8.830 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.075 -14.992 10.130 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.967 -16.219 9.505 1.00 0.00 H new ATOM 912 N ILE A 60 -4.658 -9.801 5.386 1.00 0.00 N ATOM 913 CA ILE A 60 -3.421 -9.055 5.190 1.00 0.00 C ATOM 914 C ILE A 60 -3.284 -8.586 3.746 1.00 0.00 C ATOM 915 O ILE A 60 -3.546 -9.341 2.809 1.00 0.00 O ATOM 916 CB ILE A 60 -2.189 -9.902 5.562 1.00 0.00 C ATOM 917 CG1 ILE A 60 -2.286 -10.372 7.015 1.00 0.00 C ATOM 918 CG2 ILE A 60 -0.912 -9.104 5.343 1.00 0.00 C ATOM 919 CD1 ILE A 60 -1.193 -11.340 7.411 1.00 0.00 C ATOM 0 H ILE A 60 -4.991 -10.291 4.556 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.468 -8.187 5.848 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.162 -10.780 4.916 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.247 -9.504 7.673 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.255 -10.847 7.171 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.050 -9.716 5.610 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.840 -8.813 4.295 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.930 -8.210 5.967 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.324 -11.631 8.453 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.245 -12.226 6.778 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.221 -10.862 7.287 1.00 0.00 H new ATOM 931 N HIS A 61 -2.869 -7.335 3.572 1.00 0.00 N ATOM 932 CA HIS A 61 -2.694 -6.766 2.241 1.00 0.00 C ATOM 933 C HIS A 61 -1.230 -6.422 1.985 1.00 0.00 C ATOM 934 O HIS A 61 -0.619 -5.662 2.737 1.00 0.00 O ATOM 935 CB HIS A 61 -3.559 -5.515 2.081 1.00 0.00 C ATOM 936 CG HIS A 61 -5.012 -5.753 2.355 1.00 0.00 C ATOM 937 ND1 HIS A 61 -5.972 -5.771 1.364 1.00 0.00 N ATOM 938 CD2 HIS A 61 -5.668 -5.985 3.516 1.00 0.00 C ATOM 939 CE1 HIS A 61 -7.155 -6.002 1.905 1.00 0.00 C ATOM 940 NE2 HIS A 61 -6.998 -6.136 3.209 1.00 0.00 N ATOM 0 H HIS A 61 -2.648 -6.697 4.336 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.007 -7.512 1.510 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.192 -4.741 2.755 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -3.447 -5.133 1.066 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.227 -6.041 4.500 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -8.091 -6.070 1.371 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.744 -6.322 3.880 1.00 0.00 H new ATOM 949 N LYS A 62 -0.672 -6.987 0.919 1.00 0.00 N ATOM 950 CA LYS A 62 0.720 -6.741 0.563 1.00 0.00 C ATOM 951 C LYS A 62 0.819 -6.019 -0.777 1.00 0.00 C ATOM 952 O LYS A 62 0.038 -6.280 -1.694 1.00 0.00 O ATOM 953 CB LYS A 62 1.493 -8.060 0.502 1.00 0.00 C ATOM 954 CG LYS A 62 2.983 -7.881 0.267 1.00 0.00 C ATOM 955 CD LYS A 62 3.646 -9.190 -0.127 1.00 0.00 C ATOM 956 CE LYS A 62 3.610 -10.199 1.011 1.00 0.00 C ATOM 957 NZ LYS A 62 4.643 -9.907 2.043 1.00 0.00 N ATOM 0 H LYS A 62 -1.163 -7.619 0.287 1.00 0.00 H new ATOM 0 HA LYS A 62 1.159 -6.105 1.332 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.343 -8.603 1.435 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.079 -8.677 -0.295 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.142 -7.141 -0.517 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.451 -7.493 1.172 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.142 -9.606 -0.999 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.680 -9.003 -0.416 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.623 -10.191 1.473 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.767 -11.201 0.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.586 -10.616 2.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.587 -9.940 1.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.478 -8.961 2.441 1.00 0.00 H new ATOM 971 N LEU A 63 1.784 -5.113 -0.886 1.00 0.00 N ATOM 972 CA LEU A 63 1.986 -4.354 -2.116 1.00 0.00 C ATOM 973 C LEU A 63 3.471 -4.104 -2.363 1.00 0.00 C ATOM 974 O LEU A 63 4.153 -3.491 -1.542 1.00 0.00 O ATOM 975 CB LEU A 63 1.237 -3.022 -2.046 1.00 0.00 C ATOM 976 CG LEU A 63 1.260 -2.172 -3.316 1.00 0.00 C ATOM 977 CD1 LEU A 63 0.094 -1.196 -3.326 1.00 0.00 C ATOM 978 CD2 LEU A 63 2.582 -1.428 -3.437 1.00 0.00 C ATOM 0 H LEU A 63 2.439 -4.886 -0.138 1.00 0.00 H new ATOM 0 HA LEU A 63 1.592 -4.941 -2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.198 -3.226 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.658 -2.433 -1.231 1.00 0.00 H new ATOM 0 HG LEU A 63 1.160 -2.835 -4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.127 -0.599 -4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.844 -1.750 -3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.162 -0.538 -2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.580 -0.828 -4.347 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.713 -0.776 -2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.401 -2.146 -3.477 1.00 0.00 H new ATOM 990 N VAL A 64 3.964 -4.580 -3.501 1.00 0.00 N ATOM 991 CA VAL A 64 5.367 -4.405 -3.859 1.00 0.00 C ATOM 992 C VAL A 64 5.513 -3.971 -5.313 1.00 0.00 C ATOM 993 O VAL A 64 4.784 -4.440 -6.188 1.00 0.00 O ATOM 994 CB VAL A 64 6.169 -5.701 -3.638 1.00 0.00 C ATOM 995 CG1 VAL A 64 5.983 -6.209 -2.216 1.00 0.00 C ATOM 996 CG2 VAL A 64 5.757 -6.761 -4.649 1.00 0.00 C ATOM 0 H VAL A 64 3.413 -5.090 -4.191 1.00 0.00 H new ATOM 0 HA VAL A 64 5.765 -3.626 -3.209 1.00 0.00 H new ATOM 0 HB VAL A 64 7.227 -5.482 -3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.557 -7.125 -2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.331 -5.454 -1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.927 -6.412 -2.037 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.334 -7.670 -4.478 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.695 -6.978 -4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.947 -6.395 -5.658 1.00 0.00 H new ATOM 1006 N ILE A 65 6.460 -3.074 -5.565 1.00 0.00 N ATOM 1007 CA ILE A 65 6.704 -2.578 -6.914 1.00 0.00 C ATOM 1008 C ILE A 65 7.989 -3.162 -7.490 1.00 0.00 C ATOM 1009 O ILE A 65 8.987 -3.308 -6.785 1.00 0.00 O ATOM 1010 CB ILE A 65 6.793 -1.041 -6.941 1.00 0.00 C ATOM 1011 CG1 ILE A 65 5.508 -0.424 -6.385 1.00 0.00 C ATOM 1012 CG2 ILE A 65 7.053 -0.551 -8.358 1.00 0.00 C ATOM 1013 CD1 ILE A 65 5.541 1.087 -6.326 1.00 0.00 C ATOM 0 H ILE A 65 7.071 -2.676 -4.852 1.00 0.00 H new ATOM 0 HA ILE A 65 5.859 -2.895 -7.525 1.00 0.00 H new ATOM 0 HB ILE A 65 7.626 -0.728 -6.311 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.667 -0.737 -7.003 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.330 -0.815 -5.383 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.113 0.537 -8.361 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.993 -0.968 -8.720 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.239 -0.871 -9.009 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.598 1.456 -5.922 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.361 1.408 -5.684 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.687 1.487 -7.329 1.00 0.00 H new ATOM 1025 N ALA A 66 7.958 -3.491 -8.777 1.00 0.00 N ATOM 1026 CA ALA A 66 9.122 -4.055 -9.450 1.00 0.00 C ATOM 1027 C ALA A 66 10.332 -3.138 -9.313 1.00 0.00 C ATOM 1028 O ALA A 66 11.404 -3.569 -8.890 1.00 0.00 O ATOM 1029 CB ALA A 66 8.812 -4.307 -10.918 1.00 0.00 C ATOM 0 H ALA A 66 7.139 -3.377 -9.375 1.00 0.00 H new ATOM 0 HA ALA A 66 9.363 -5.005 -8.973 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.690 -4.728 -11.408 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.980 -5.007 -10.999 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.543 -3.367 -11.400 1.00 0.00 H new ATOM 1035 N ASN A 67 10.154 -1.872 -9.674 1.00 0.00 N ATOM 1036 CA ASN A 67 11.233 -0.894 -9.592 1.00 0.00 C ATOM 1037 C ASN A 67 10.752 0.394 -8.931 1.00 0.00 C ATOM 1038 O ASN A 67 9.854 1.066 -9.438 1.00 0.00 O ATOM 1039 CB ASN A 67 11.781 -0.590 -10.988 1.00 0.00 C ATOM 1040 CG ASN A 67 12.599 -1.736 -11.551 1.00 0.00 C ATOM 1041 OD1 ASN A 67 12.199 -2.898 -11.468 1.00 0.00 O ATOM 1042 ND2 ASN A 67 13.751 -1.414 -12.127 1.00 0.00 N ATOM 0 H ASN A 67 9.273 -1.499 -10.026 1.00 0.00 H new ATOM 0 HA ASN A 67 12.029 -1.319 -8.981 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.952 -0.374 -11.662 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.399 0.307 -10.945 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.344 -2.143 -12.523 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.043 -0.438 -12.173 1.00 0.00 H new ATOM 1049 N ALA A 68 11.356 0.731 -7.796 1.00 0.00 N ATOM 1050 CA ALA A 68 10.991 1.939 -7.067 1.00 0.00 C ATOM 1051 C ALA A 68 11.224 3.185 -7.916 1.00 0.00 C ATOM 1052 O ALA A 68 12.337 3.707 -7.978 1.00 0.00 O ATOM 1053 CB ALA A 68 11.778 2.029 -5.768 1.00 0.00 C ATOM 0 H ALA A 68 12.100 0.185 -7.362 1.00 0.00 H new ATOM 0 HA ALA A 68 9.928 1.885 -6.833 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.496 2.936 -5.234 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.558 1.159 -5.149 1.00 0.00 H new ATOM 0 HB3 ALA A 68 12.845 2.056 -5.990 1.00 0.00 H new ATOM 1059 N LEU A 69 10.167 3.656 -8.569 1.00 0.00 N ATOM 1060 CA LEU A 69 10.256 4.840 -9.415 1.00 0.00 C ATOM 1061 C LEU A 69 10.112 6.113 -8.588 1.00 0.00 C ATOM 1062 O LEU A 69 9.490 6.109 -7.525 1.00 0.00 O ATOM 1063 CB LEU A 69 9.179 4.799 -10.500 1.00 0.00 C ATOM 1064 CG LEU A 69 9.353 3.730 -11.579 1.00 0.00 C ATOM 1065 CD1 LEU A 69 8.092 3.609 -12.420 1.00 0.00 C ATOM 1066 CD2 LEU A 69 10.554 4.050 -12.458 1.00 0.00 C ATOM 0 H LEU A 69 9.239 3.236 -8.528 1.00 0.00 H new ATOM 0 HA LEU A 69 11.238 4.845 -9.887 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.213 4.647 -10.019 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.144 5.774 -10.986 1.00 0.00 H new ATOM 0 HG LEU A 69 9.531 2.773 -11.089 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.235 2.843 -13.182 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.254 3.332 -11.781 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.882 4.565 -12.900 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.663 3.279 -13.220 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.406 5.017 -12.939 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.455 4.084 -11.845 1.00 0.00 H new ATOM 1078 N THR A 70 10.690 7.204 -9.083 1.00 0.00 N ATOM 1079 CA THR A 70 10.625 8.484 -8.390 1.00 0.00 C ATOM 1080 C THR A 70 9.195 8.814 -7.976 1.00 0.00 C ATOM 1081 O THR A 70 8.957 9.311 -6.876 1.00 0.00 O ATOM 1082 CB THR A 70 11.169 9.626 -9.269 1.00 0.00 C ATOM 1083 OG1 THR A 70 10.473 9.656 -10.520 1.00 0.00 O ATOM 1084 CG2 THR A 70 12.660 9.455 -9.516 1.00 0.00 C ATOM 0 H THR A 70 11.208 7.226 -9.961 1.00 0.00 H new ATOM 0 HA THR A 70 11.246 8.393 -7.499 1.00 0.00 H new ATOM 0 HB THR A 70 11.010 10.567 -8.743 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.824 10.386 -11.072 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.022 10.273 -10.139 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.190 9.463 -8.563 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.838 8.507 -10.023 1.00 0.00 H new ATOM 1092 N GLU A 71 8.247 8.533 -8.865 1.00 0.00 N ATOM 1093 CA GLU A 71 6.840 8.800 -8.590 1.00 0.00 C ATOM 1094 C GLU A 71 6.433 8.230 -7.235 1.00 0.00 C ATOM 1095 O GLU A 71 5.579 8.788 -6.546 1.00 0.00 O ATOM 1096 CB GLU A 71 5.960 8.205 -9.691 1.00 0.00 C ATOM 1097 CG GLU A 71 6.240 6.737 -9.967 1.00 0.00 C ATOM 1098 CD GLU A 71 5.269 6.136 -10.964 1.00 0.00 C ATOM 1099 OE1 GLU A 71 5.275 6.570 -12.135 1.00 0.00 O ATOM 1100 OE2 GLU A 71 4.502 5.230 -10.574 1.00 0.00 O ATOM 0 H GLU A 71 8.428 8.121 -9.780 1.00 0.00 H new ATOM 0 HA GLU A 71 6.700 9.881 -8.567 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.913 8.320 -9.410 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.108 8.773 -10.609 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.257 6.630 -10.345 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.187 6.179 -9.032 1.00 0.00 H new ATOM 1107 N ASP A 72 7.049 7.114 -6.859 1.00 0.00 N ATOM 1108 CA ASP A 72 6.751 6.468 -5.587 1.00 0.00 C ATOM 1109 C ASP A 72 6.808 7.472 -4.440 1.00 0.00 C ATOM 1110 O ASP A 72 5.963 7.455 -3.546 1.00 0.00 O ATOM 1111 CB ASP A 72 7.735 5.325 -5.329 1.00 0.00 C ATOM 1112 CG ASP A 72 8.994 5.792 -4.624 1.00 0.00 C ATOM 1113 OD1 ASP A 72 9.683 6.681 -5.168 1.00 0.00 O ATOM 1114 OD2 ASP A 72 9.289 5.270 -3.529 1.00 0.00 O ATOM 0 H ASP A 72 7.758 6.638 -7.418 1.00 0.00 H new ATOM 0 HA ASP A 72 5.740 6.063 -5.642 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.247 4.559 -4.726 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.004 4.860 -6.278 1.00 0.00 H new ATOM 1119 N GLU A 73 7.809 8.346 -4.474 1.00 0.00 N ATOM 1120 CA GLU A 73 7.976 9.357 -3.436 1.00 0.00 C ATOM 1121 C GLU A 73 6.692 10.158 -3.246 1.00 0.00 C ATOM 1122 O GLU A 73 6.288 10.921 -4.123 1.00 0.00 O ATOM 1123 CB GLU A 73 9.130 10.297 -3.790 1.00 0.00 C ATOM 1124 CG GLU A 73 9.515 11.240 -2.662 1.00 0.00 C ATOM 1125 CD GLU A 73 8.499 12.346 -2.455 1.00 0.00 C ATOM 1126 OE1 GLU A 73 8.564 13.356 -3.188 1.00 0.00 O ATOM 1127 OE2 GLU A 73 7.640 12.204 -1.560 1.00 0.00 O ATOM 0 H GLU A 73 8.516 8.374 -5.208 1.00 0.00 H new ATOM 0 HA GLU A 73 8.207 8.847 -2.501 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.000 9.702 -4.068 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.853 10.885 -4.665 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.621 10.671 -1.738 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.488 11.681 -2.878 1.00 0.00 H new ATOM 1134 N GLY A 74 6.054 9.979 -2.093 1.00 0.00 N ATOM 1135 CA GLY A 74 4.822 10.690 -1.808 1.00 0.00 C ATOM 1136 C GLY A 74 4.156 10.210 -0.534 1.00 0.00 C ATOM 1137 O GLY A 74 4.816 10.029 0.489 1.00 0.00 O ATOM 0 H GLY A 74 6.369 9.354 -1.351 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.033 11.756 -1.725 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.133 10.566 -2.643 1.00 0.00 H new ATOM 1141 N ASP A 75 2.845 10.004 -0.596 1.00 0.00 N ATOM 1142 CA ASP A 75 2.089 9.541 0.562 1.00 0.00 C ATOM 1143 C ASP A 75 1.120 8.431 0.170 1.00 0.00 C ATOM 1144 O ASP A 75 0.196 8.647 -0.615 1.00 0.00 O ATOM 1145 CB ASP A 75 1.322 10.704 1.195 1.00 0.00 C ATOM 1146 CG ASP A 75 2.172 11.496 2.169 1.00 0.00 C ATOM 1147 OD1 ASP A 75 3.360 11.732 1.865 1.00 0.00 O ATOM 1148 OD2 ASP A 75 1.649 11.880 3.236 1.00 0.00 O ATOM 0 H ASP A 75 2.284 10.150 -1.435 1.00 0.00 H new ATOM 0 HA ASP A 75 2.795 9.142 1.290 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.961 11.368 0.409 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.445 10.317 1.714 1.00 0.00 H new ATOM 1153 N TYR A 76 1.336 7.242 0.721 1.00 0.00 N ATOM 1154 CA TYR A 76 0.485 6.096 0.426 1.00 0.00 C ATOM 1155 C TYR A 76 -0.613 5.949 1.475 1.00 0.00 C ATOM 1156 O TYR A 76 -0.394 6.202 2.660 1.00 0.00 O ATOM 1157 CB TYR A 76 1.320 4.816 0.363 1.00 0.00 C ATOM 1158 CG TYR A 76 2.113 4.673 -0.916 1.00 0.00 C ATOM 1159 CD1 TYR A 76 3.270 5.413 -1.125 1.00 0.00 C ATOM 1160 CD2 TYR A 76 1.705 3.798 -1.916 1.00 0.00 C ATOM 1161 CE1 TYR A 76 3.998 5.287 -2.293 1.00 0.00 C ATOM 1162 CE2 TYR A 76 2.428 3.664 -3.085 1.00 0.00 C ATOM 1163 CZ TYR A 76 3.573 4.410 -3.270 1.00 0.00 C ATOM 1164 OH TYR A 76 4.294 4.280 -4.434 1.00 0.00 O ATOM 0 H TYR A 76 2.094 7.047 1.375 1.00 0.00 H new ATOM 0 HA TYR A 76 0.016 6.264 -0.544 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.006 4.798 1.210 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.659 3.956 0.469 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.606 6.099 -0.361 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.808 3.213 -1.776 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.894 5.871 -2.440 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.098 2.978 -3.851 1.00 0.00 H new ATOM 0 HH TYR A 76 3.860 3.621 -5.016 1.00 0.00 H new ATOM 1174 N VAL A 77 -1.796 5.537 1.031 1.00 0.00 N ATOM 1175 CA VAL A 77 -2.929 5.353 1.930 1.00 0.00 C ATOM 1176 C VAL A 77 -3.811 4.197 1.474 1.00 0.00 C ATOM 1177 O VAL A 77 -4.174 4.103 0.301 1.00 0.00 O ATOM 1178 CB VAL A 77 -3.785 6.631 2.023 1.00 0.00 C ATOM 1179 CG1 VAL A 77 -4.973 6.413 2.947 1.00 0.00 C ATOM 1180 CG2 VAL A 77 -2.939 7.804 2.495 1.00 0.00 C ATOM 0 H VAL A 77 -1.995 5.324 0.053 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.518 5.126 2.914 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.168 6.865 1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.565 7.326 3.000 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.590 5.602 2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.616 6.154 3.944 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.559 8.699 2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.526 7.582 3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.125 7.973 1.790 1.00 0.00 H new ATOM 1190 N PHE A 78 -4.154 3.317 2.409 1.00 0.00 N ATOM 1191 CA PHE A 78 -4.994 2.165 2.103 1.00 0.00 C ATOM 1192 C PHE A 78 -6.313 2.235 2.868 1.00 0.00 C ATOM 1193 O PHE A 78 -6.390 2.835 3.939 1.00 0.00 O ATOM 1194 CB PHE A 78 -4.261 0.867 2.447 1.00 0.00 C ATOM 1195 CG PHE A 78 -5.172 -0.320 2.580 1.00 0.00 C ATOM 1196 CD1 PHE A 78 -6.046 -0.423 3.650 1.00 0.00 C ATOM 1197 CD2 PHE A 78 -5.155 -1.333 1.634 1.00 0.00 C ATOM 1198 CE1 PHE A 78 -6.887 -1.513 3.775 1.00 0.00 C ATOM 1199 CE2 PHE A 78 -5.993 -2.425 1.753 1.00 0.00 C ATOM 1200 CZ PHE A 78 -6.859 -2.516 2.826 1.00 0.00 C ATOM 0 H PHE A 78 -3.863 3.380 3.385 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.212 2.179 1.035 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.521 0.662 1.674 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.717 1.003 3.381 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -6.071 0.358 4.396 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.479 -1.268 0.794 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -7.565 -1.580 4.613 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.971 -3.207 1.008 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.513 -3.370 2.922 1.00 0.00 H new ATOM 1210 N ALA A 79 -7.348 1.617 2.308 1.00 0.00 N ATOM 1211 CA ALA A 79 -8.663 1.608 2.937 1.00 0.00 C ATOM 1212 C ALA A 79 -9.472 0.391 2.500 1.00 0.00 C ATOM 1213 O ALA A 79 -9.443 -0.020 1.339 1.00 0.00 O ATOM 1214 CB ALA A 79 -9.415 2.889 2.608 1.00 0.00 C ATOM 0 H ALA A 79 -7.301 1.116 1.421 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.521 1.550 4.016 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.395 2.868 3.084 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.851 3.746 2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.538 2.971 1.528 1.00 0.00 H new ATOM 1220 N PRO A 80 -10.211 -0.201 3.449 1.00 0.00 N ATOM 1221 CA PRO A 80 -11.042 -1.380 3.185 1.00 0.00 C ATOM 1222 C PRO A 80 -12.248 -1.055 2.311 1.00 0.00 C ATOM 1223 O PRO A 80 -12.727 0.079 2.293 1.00 0.00 O ATOM 1224 CB PRO A 80 -11.495 -1.814 4.581 1.00 0.00 C ATOM 1225 CG PRO A 80 -11.439 -0.572 5.402 1.00 0.00 C ATOM 1226 CD PRO A 80 -10.294 0.235 4.853 1.00 0.00 C ATOM 0 HA PRO A 80 -10.496 -2.150 2.640 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -12.503 -2.229 4.559 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -10.842 -2.586 4.987 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -12.375 -0.017 5.335 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -11.282 -0.807 6.455 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.483 1.306 4.931 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.367 0.035 5.391 1.00 0.00 H new ATOM 1234 N ASP A 81 -12.735 -2.057 1.587 1.00 0.00 N ATOM 1235 CA ASP A 81 -13.887 -1.878 0.711 1.00 0.00 C ATOM 1236 C ASP A 81 -15.190 -2.098 1.474 1.00 0.00 C ATOM 1237 O ASP A 81 -16.252 -2.262 0.875 1.00 0.00 O ATOM 1238 CB ASP A 81 -13.808 -2.840 -0.475 1.00 0.00 C ATOM 1239 CG ASP A 81 -14.560 -2.329 -1.688 1.00 0.00 C ATOM 1240 OD1 ASP A 81 -14.766 -1.101 -1.783 1.00 0.00 O ATOM 1241 OD2 ASP A 81 -14.944 -3.156 -2.541 1.00 0.00 O ATOM 0 H ASP A 81 -12.350 -3.002 1.590 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.873 -0.853 0.339 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.763 -3.000 -0.740 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.214 -3.808 -0.181 1.00 0.00 H new ATOM 1246 N ALA A 82 -15.099 -2.101 2.800 1.00 0.00 N ATOM 1247 CA ALA A 82 -16.270 -2.299 3.645 1.00 0.00 C ATOM 1248 C ALA A 82 -16.402 -1.181 4.674 1.00 0.00 C ATOM 1249 O ALA A 82 -17.509 -0.769 5.019 1.00 0.00 O ATOM 1250 CB ALA A 82 -16.197 -3.651 4.339 1.00 0.00 C ATOM 0 H ALA A 82 -14.227 -1.969 3.312 1.00 0.00 H new ATOM 0 HA ALA A 82 -17.154 -2.276 3.008 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -17.078 -3.786 4.967 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -16.160 -4.443 3.591 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -15.301 -3.695 4.957 1.00 0.00 H new ATOM 1256 N TYR A 83 -15.265 -0.695 5.160 1.00 0.00 N ATOM 1257 CA TYR A 83 -15.253 0.374 6.152 1.00 0.00 C ATOM 1258 C TYR A 83 -14.730 1.673 5.547 1.00 0.00 C ATOM 1259 O TYR A 83 -14.323 1.710 4.386 1.00 0.00 O ATOM 1260 CB TYR A 83 -14.394 -0.026 7.352 1.00 0.00 C ATOM 1261 CG TYR A 83 -14.772 -1.363 7.949 1.00 0.00 C ATOM 1262 CD1 TYR A 83 -14.207 -2.541 7.476 1.00 0.00 C ATOM 1263 CD2 TYR A 83 -15.693 -1.448 8.985 1.00 0.00 C ATOM 1264 CE1 TYR A 83 -14.549 -3.765 8.017 1.00 0.00 C ATOM 1265 CE2 TYR A 83 -16.040 -2.668 9.534 1.00 0.00 C ATOM 1266 CZ TYR A 83 -15.466 -3.823 9.046 1.00 0.00 C ATOM 1267 OH TYR A 83 -15.810 -5.040 9.589 1.00 0.00 O ATOM 0 H TYR A 83 -14.340 -1.024 4.883 1.00 0.00 H new ATOM 0 HA TYR A 83 -16.278 0.538 6.486 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -13.348 -0.057 7.045 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -14.478 0.742 8.121 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -13.488 -2.499 6.671 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -16.146 -0.545 9.368 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -14.101 -4.671 7.637 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -16.757 -2.716 10.341 1.00 0.00 H new ATOM 0 HH TYR A 83 -16.466 -4.905 10.304 1.00 0.00 H new ATOM 1277 N ASN A 84 -14.743 2.736 6.343 1.00 0.00 N ATOM 1278 CA ASN A 84 -14.269 4.038 5.888 1.00 0.00 C ATOM 1279 C ASN A 84 -12.953 4.406 6.567 1.00 0.00 C ATOM 1280 O ASN A 84 -12.588 5.579 6.643 1.00 0.00 O ATOM 1281 CB ASN A 84 -15.320 5.114 6.171 1.00 0.00 C ATOM 1282 CG ASN A 84 -14.836 6.504 5.807 1.00 0.00 C ATOM 1283 OD1 ASN A 84 -14.470 6.766 4.661 1.00 0.00 O ATOM 1284 ND2 ASN A 84 -14.833 7.404 6.783 1.00 0.00 N ATOM 0 H ASN A 84 -15.077 2.722 7.307 1.00 0.00 H new ATOM 0 HA ASN A 84 -14.099 3.979 4.813 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -16.227 4.889 5.609 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -15.586 5.090 7.228 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -14.519 8.356 6.597 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -15.145 7.143 7.718 1.00 0.00 H new ATOM 1291 N VAL A 85 -12.244 3.395 7.058 1.00 0.00 N ATOM 1292 CA VAL A 85 -10.967 3.611 7.729 1.00 0.00 C ATOM 1293 C VAL A 85 -9.848 3.840 6.719 1.00 0.00 C ATOM 1294 O VAL A 85 -9.877 3.305 5.610 1.00 0.00 O ATOM 1295 CB VAL A 85 -10.596 2.416 8.627 1.00 0.00 C ATOM 1296 CG1 VAL A 85 -10.494 1.141 7.805 1.00 0.00 C ATOM 1297 CG2 VAL A 85 -9.295 2.690 9.366 1.00 0.00 C ATOM 0 H VAL A 85 -12.532 2.418 7.004 1.00 0.00 H new ATOM 0 HA VAL A 85 -11.081 4.500 8.349 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.386 2.280 9.366 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.231 0.308 8.457 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.452 0.939 7.327 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -9.725 1.261 7.041 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -9.047 1.836 9.996 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -8.494 2.853 8.645 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.410 3.578 9.988 1.00 0.00 H new ATOM 1307 N THR A 86 -8.861 4.640 7.110 1.00 0.00 N ATOM 1308 CA THR A 86 -7.731 4.941 6.240 1.00 0.00 C ATOM 1309 C THR A 86 -6.410 4.809 6.988 1.00 0.00 C ATOM 1310 O THR A 86 -6.261 5.317 8.100 1.00 0.00 O ATOM 1311 CB THR A 86 -7.836 6.362 5.654 1.00 0.00 C ATOM 1312 OG1 THR A 86 -7.939 7.321 6.713 1.00 0.00 O ATOM 1313 CG2 THR A 86 -9.044 6.481 4.737 1.00 0.00 C ATOM 0 H THR A 86 -8.821 5.091 8.024 1.00 0.00 H new ATOM 0 HA THR A 86 -7.758 4.217 5.426 1.00 0.00 H new ATOM 0 HB THR A 86 -6.936 6.559 5.071 1.00 0.00 H new ATOM 0 HG1 THR A 86 -8.004 8.222 6.333 1.00 0.00 H new ATOM 0 HG21 THR A 86 -9.097 7.493 4.335 1.00 0.00 H new ATOM 0 HG22 THR A 86 -8.950 5.769 3.917 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.952 6.266 5.301 1.00 0.00 H new ATOM 1321 N LEU A 87 -5.452 4.124 6.372 1.00 0.00 N ATOM 1322 CA LEU A 87 -4.141 3.926 6.980 1.00 0.00 C ATOM 1323 C LEU A 87 -3.067 4.702 6.224 1.00 0.00 C ATOM 1324 O LEU A 87 -2.625 4.307 5.145 1.00 0.00 O ATOM 1325 CB LEU A 87 -3.789 2.437 7.005 1.00 0.00 C ATOM 1326 CG LEU A 87 -4.407 1.620 8.140 1.00 0.00 C ATOM 1327 CD1 LEU A 87 -5.800 1.144 7.757 1.00 0.00 C ATOM 1328 CD2 LEU A 87 -3.516 0.439 8.494 1.00 0.00 C ATOM 0 H LEU A 87 -5.559 3.697 5.452 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.181 4.301 8.003 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.097 1.995 6.057 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.705 2.341 7.064 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.493 2.260 9.018 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.225 0.564 8.577 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.436 2.006 7.554 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.739 0.520 6.865 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.972 -0.131 9.304 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.398 -0.202 7.621 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.539 0.803 8.812 1.00 0.00 H new ATOM 1340 N PRO A 88 -2.635 5.831 6.804 1.00 0.00 N ATOM 1341 CA PRO A 88 -1.605 6.685 6.204 1.00 0.00 C ATOM 1342 C PRO A 88 -0.227 6.032 6.223 1.00 0.00 C ATOM 1343 O PRO A 88 0.032 5.130 7.019 1.00 0.00 O ATOM 1344 CB PRO A 88 -1.618 7.932 7.090 1.00 0.00 C ATOM 1345 CG PRO A 88 -2.137 7.459 8.404 1.00 0.00 C ATOM 1346 CD PRO A 88 -3.117 6.362 8.090 1.00 0.00 C ATOM 0 HA PRO A 88 -1.807 6.890 5.153 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.619 8.358 7.189 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.256 8.710 6.669 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.327 7.091 9.034 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.620 8.271 8.948 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.123 5.595 8.864 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -4.135 6.743 8.011 1.00 0.00 H new ATOM 1354 N ALA A 89 0.653 6.493 5.341 1.00 0.00 N ATOM 1355 CA ALA A 89 2.005 5.955 5.258 1.00 0.00 C ATOM 1356 C ALA A 89 2.940 6.926 4.546 1.00 0.00 C ATOM 1357 O ALA A 89 2.513 7.701 3.690 1.00 0.00 O ATOM 1358 CB ALA A 89 1.996 4.610 4.546 1.00 0.00 C ATOM 0 H ALA A 89 0.454 7.238 4.674 1.00 0.00 H new ATOM 0 HA ALA A 89 2.375 5.814 6.273 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.013 4.220 4.491 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.368 3.910 5.098 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.601 4.735 3.538 1.00 0.00 H new ATOM 1364 N LYS A 90 4.219 6.881 4.905 1.00 0.00 N ATOM 1365 CA LYS A 90 5.216 7.756 4.301 1.00 0.00 C ATOM 1366 C LYS A 90 6.313 6.944 3.620 1.00 0.00 C ATOM 1367 O LYS A 90 6.672 5.860 4.080 1.00 0.00 O ATOM 1368 CB LYS A 90 5.829 8.674 5.361 1.00 0.00 C ATOM 1369 CG LYS A 90 6.463 9.929 4.787 1.00 0.00 C ATOM 1370 CD LYS A 90 6.743 10.957 5.869 1.00 0.00 C ATOM 1371 CE LYS A 90 5.468 11.652 6.322 1.00 0.00 C ATOM 1372 NZ LYS A 90 5.746 12.988 6.917 1.00 0.00 N ATOM 0 H LYS A 90 4.589 6.246 5.613 1.00 0.00 H new ATOM 0 HA LYS A 90 4.718 8.365 3.546 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.055 8.961 6.072 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.583 8.118 5.918 1.00 0.00 H new ATOM 0 HG2 LYS A 90 7.393 9.669 4.281 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.802 10.361 4.036 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.215 10.470 6.722 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.449 11.698 5.494 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.795 11.766 5.472 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.955 11.028 7.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.852 13.429 7.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.368 12.877 7.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.213 13.592 6.211 1.00 0.00 H new ATOM 1386 N VAL A 91 6.842 7.475 2.522 1.00 0.00 N ATOM 1387 CA VAL A 91 7.900 6.800 1.780 1.00 0.00 C ATOM 1388 C VAL A 91 8.868 7.805 1.167 1.00 0.00 C ATOM 1389 O VAL A 91 8.535 8.977 0.992 1.00 0.00 O ATOM 1390 CB VAL A 91 7.322 5.912 0.662 1.00 0.00 C ATOM 1391 CG1 VAL A 91 7.127 4.488 1.158 1.00 0.00 C ATOM 1392 CG2 VAL A 91 6.013 6.490 0.146 1.00 0.00 C ATOM 0 H VAL A 91 6.555 8.371 2.127 1.00 0.00 H new ATOM 0 HA VAL A 91 8.436 6.172 2.492 1.00 0.00 H new ATOM 0 HB VAL A 91 8.033 5.889 -0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.718 3.876 0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 91 8.086 4.078 1.474 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.437 4.488 2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.619 5.850 -0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.293 6.545 0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.188 7.490 -0.251 1.00 0.00 H new ATOM 1402 N HIS A 92 10.070 7.338 0.842 1.00 0.00 N ATOM 1403 CA HIS A 92 11.088 8.197 0.247 1.00 0.00 C ATOM 1404 C HIS A 92 12.022 7.390 -0.650 1.00 0.00 C ATOM 1405 O HIS A 92 12.395 6.263 -0.322 1.00 0.00 O ATOM 1406 CB HIS A 92 11.893 8.901 1.339 1.00 0.00 C ATOM 1407 CG HIS A 92 11.101 9.912 2.110 1.00 0.00 C ATOM 1408 ND1 HIS A 92 10.631 11.083 1.553 1.00 0.00 N ATOM 1409 CD2 HIS A 92 10.695 9.921 3.401 1.00 0.00 C ATOM 1410 CE1 HIS A 92 9.971 11.769 2.470 1.00 0.00 C ATOM 1411 NE2 HIS A 92 9.995 11.085 3.600 1.00 0.00 N ATOM 0 H HIS A 92 10.362 6.371 0.981 1.00 0.00 H new ATOM 0 HA HIS A 92 10.585 8.947 -0.363 1.00 0.00 H new ATOM 0 HB2 HIS A 92 12.283 8.154 2.030 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.752 9.394 0.885 1.00 0.00 H new ATOM 0 HD2 HIS A 92 10.886 9.155 4.138 1.00 0.00 H new ATOM 0 HE1 HIS A 92 9.493 12.726 2.321 1.00 0.00 H new ATOM 0 HE2 HIS A 92 9.564 11.375 4.478 1.00 0.00 H new ATOM 1420 N VAL A 93 12.395 7.973 -1.785 1.00 0.00 N ATOM 1421 CA VAL A 93 13.286 7.309 -2.729 1.00 0.00 C ATOM 1422 C VAL A 93 14.588 8.085 -2.896 1.00 0.00 C ATOM 1423 O VAL A 93 14.577 9.303 -3.074 1.00 0.00 O ATOM 1424 CB VAL A 93 12.619 7.144 -4.108 1.00 0.00 C ATOM 1425 CG1 VAL A 93 12.347 8.503 -4.736 1.00 0.00 C ATOM 1426 CG2 VAL A 93 13.488 6.291 -5.020 1.00 0.00 C ATOM 0 H VAL A 93 12.094 8.904 -2.073 1.00 0.00 H new ATOM 0 HA VAL A 93 13.505 6.323 -2.318 1.00 0.00 H new ATOM 0 HB VAL A 93 11.664 6.636 -3.973 1.00 0.00 H new ATOM 0 HG11 VAL A 93 11.876 8.366 -5.709 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.683 9.077 -4.089 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.287 9.041 -4.860 1.00 0.00 H new ATOM 0 HG21 VAL A 93 13.002 6.184 -5.990 1.00 0.00 H new ATOM 0 HG22 VAL A 93 14.458 6.770 -5.151 1.00 0.00 H new ATOM 0 HG23 VAL A 93 13.627 5.306 -4.574 1.00 0.00 H new ATOM 1436 N ILE A 94 15.707 7.371 -2.837 1.00 0.00 N ATOM 1437 CA ILE A 94 17.017 7.993 -2.983 1.00 0.00 C ATOM 1438 C ILE A 94 17.424 8.080 -4.450 1.00 0.00 C ATOM 1439 O ILE A 94 17.291 7.113 -5.200 1.00 0.00 O ATOM 1440 CB ILE A 94 18.098 7.216 -2.207 1.00 0.00 C ATOM 1441 CG1 ILE A 94 17.695 7.067 -0.739 1.00 0.00 C ATOM 1442 CG2 ILE A 94 19.442 7.920 -2.324 1.00 0.00 C ATOM 1443 CD1 ILE A 94 18.566 6.100 0.032 1.00 0.00 C ATOM 0 H ILE A 94 15.733 6.362 -2.689 1.00 0.00 H new ATOM 0 HA ILE A 94 16.937 8.999 -2.571 1.00 0.00 H new ATOM 0 HB ILE A 94 18.192 6.221 -2.641 1.00 0.00 H new ATOM 0 HG12 ILE A 94 17.737 8.044 -0.258 1.00 0.00 H new ATOM 0 HG13 ILE A 94 16.659 6.731 -0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 94 20.196 7.360 -1.771 1.00 0.00 H new ATOM 0 HG22 ILE A 94 19.731 7.979 -3.373 1.00 0.00 H new ATOM 0 HG23 ILE A 94 19.363 8.926 -1.912 1.00 0.00 H new ATOM 0 HD11 ILE A 94 18.222 6.045 1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 94 18.505 5.112 -0.424 1.00 0.00 H new ATOM 0 HD13 ILE A 94 19.600 6.446 0.012 1.00 0.00 H new