USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 762 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 Single : A 8 HIS : no HD1:sc= -1.8! C(o=-1.8!,f=-1.6!) USER MOD Single : A 10 HIS : no HE2:sc= 0.533 K(o=0.53,f=-3.4!) USER MOD Single : A 12 GLN : amide:sc= -0.706 X(o=-0.71,f=-0.63) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.454 K(o=0.45,f=-0.89) USER MOD Single : A 23 THR OG1 : rot 63:sc= 1.21 USER MOD Single : A 24 HIS : no HD1:sc= -2.27 X(o=-2.3,f=-2.7!) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot -140:sc= 0.00711 USER MOD Single : A 29 GLN : amide:sc= -0.451 X(o=-0.45,f=-0.28) USER MOD Single : A 30 CYS SG : rot 180:sc= -0.113 USER MOD Single : A 34 ASN : amide:sc= -1.67 X(o=-1.7,f=-1.4) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.378 X(o=-0.38,f=-0.78) USER MOD Single : A 40 TYR OH : rot 74:sc= 0.0527 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 97:sc= -3.11 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.567 K(o=-0.57,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 164:sc= -0.0285 (180deg=-0.0416) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -5.42 K(o=-5.4,f=-6.9!) USER MOD Single : A 68 SER OG : rot 82:sc= 0.203 USER MOD Single : A 69 LYS NZ :NH3+ 165:sc= 0.35 (180deg=0.271) USER MOD Single : A 74 SER OG : rot 20:sc= -0.0106 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 TYR OH : rot 150:sc= -0.0438 USER MOD ----------------------------------------------------------------- ATOM 68 N HIS A 8 -7.589 11.089 9.869 1.00 0.00 N ATOM 69 CA HIS A 8 -7.017 10.467 8.681 1.00 0.00 C ATOM 70 C HIS A 8 -8.026 9.533 8.016 1.00 0.00 C ATOM 71 O HIS A 8 -8.070 8.340 8.316 1.00 0.00 O ATOM 72 CB HIS A 8 -5.750 9.691 9.046 1.00 0.00 C ATOM 73 CG HIS A 8 -4.812 10.457 9.925 1.00 0.00 C ATOM 74 ND1 HIS A 8 -4.592 10.164 11.253 1.00 0.00 N ATOM 75 CD2 HIS A 8 -4.026 11.527 9.643 1.00 0.00 C ATOM 76 CE1 HIS A 8 -3.700 11.044 11.725 1.00 0.00 C ATOM 77 NE2 HIS A 8 -3.324 11.892 10.788 1.00 0.00 N ATOM 0 HA HIS A 8 -6.760 11.257 7.975 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.032 8.766 9.549 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.229 9.410 8.131 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -3.956 12.017 8.683 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.336 11.057 12.742 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -2.657 12.657 10.883 1.00 0.00 H new ATOM 85 N PRO A 9 -8.853 10.066 7.100 1.00 0.00 N ATOM 86 CA PRO A 9 -9.864 9.272 6.393 1.00 0.00 C ATOM 87 C PRO A 9 -9.245 8.254 5.438 1.00 0.00 C ATOM 88 O PRO A 9 -9.899 7.294 5.032 1.00 0.00 O ATOM 89 CB PRO A 9 -10.663 10.319 5.613 1.00 0.00 C ATOM 90 CG PRO A 9 -9.727 11.466 5.447 1.00 0.00 C ATOM 91 CD PRO A 9 -8.867 11.480 6.680 1.00 0.00 C ATOM 0 HA PRO A 9 -10.468 8.682 7.082 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.988 9.930 4.648 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.561 10.616 6.155 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.120 11.348 4.549 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.273 12.403 5.341 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.863 11.846 6.466 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.283 12.125 7.454 1.00 0.00 H new ATOM 99 N HIS A 10 -7.981 8.469 5.083 1.00 0.00 N ATOM 100 CA HIS A 10 -7.279 7.568 4.175 1.00 0.00 C ATOM 101 C HIS A 10 -6.498 6.512 4.950 1.00 0.00 C ATOM 102 O HIS A 10 -6.431 5.352 4.542 1.00 0.00 O ATOM 103 CB HIS A 10 -6.331 8.359 3.272 1.00 0.00 C ATOM 104 CG HIS A 10 -7.016 9.010 2.111 1.00 0.00 C ATOM 105 ND1 HIS A 10 -7.267 10.362 2.027 1.00 0.00 N ATOM 106 CD2 HIS A 10 -7.506 8.466 0.968 1.00 0.00 C ATOM 107 CE1 HIS A 10 -7.889 10.592 0.862 1.00 0.00 C ATOM 108 NE2 HIS A 10 -8.057 9.475 0.182 1.00 0.00 N ATOM 0 H HIS A 10 -7.423 9.258 5.410 1.00 0.00 H new ATOM 0 HA HIS A 10 -8.022 7.063 3.558 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.832 9.125 3.865 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.556 7.690 2.898 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -7.023 11.063 2.727 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.474 7.418 0.709 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -8.211 11.566 0.524 1.00 0.00 H new ATOM 116 N ILE A 11 -5.906 6.920 6.068 1.00 0.00 N ATOM 117 CA ILE A 11 -5.128 6.007 6.898 1.00 0.00 C ATOM 118 C ILE A 11 -6.036 5.094 7.715 1.00 0.00 C ATOM 119 O ILE A 11 -5.791 3.892 7.819 1.00 0.00 O ATOM 120 CB ILE A 11 -4.196 6.775 7.854 1.00 0.00 C ATOM 121 CG1 ILE A 11 -3.411 7.842 7.091 1.00 0.00 C ATOM 122 CG2 ILE A 11 -3.250 5.813 8.557 1.00 0.00 C ATOM 123 CD1 ILE A 11 -2.502 8.670 7.973 1.00 0.00 C ATOM 0 H ILE A 11 -5.950 7.876 6.420 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.525 5.401 6.221 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.805 7.272 8.609 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.813 7.359 6.319 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.112 8.504 6.583 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.598 6.370 9.229 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.828 5.088 9.130 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.646 5.290 7.816 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.977 9.406 7.365 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.097 9.182 8.730 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.777 8.019 8.461 1.00 0.00 H new ATOM 135 N GLN A 12 -7.082 5.672 8.295 1.00 0.00 N ATOM 136 CA GLN A 12 -8.025 4.909 9.105 1.00 0.00 C ATOM 137 C GLN A 12 -8.665 3.789 8.289 1.00 0.00 C ATOM 138 O GLN A 12 -9.013 2.737 8.826 1.00 0.00 O ATOM 139 CB GLN A 12 -9.109 5.830 9.667 1.00 0.00 C ATOM 140 CG GLN A 12 -9.692 5.349 10.987 1.00 0.00 C ATOM 141 CD GLN A 12 -11.169 5.022 10.890 1.00 0.00 C ATOM 142 OE1 GLN A 12 -11.928 5.721 10.217 1.00 0.00 O ATOM 143 NE2 GLN A 12 -11.586 3.957 11.563 1.00 0.00 N ATOM 0 H GLN A 12 -7.298 6.666 8.220 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.474 4.461 9.932 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.691 6.827 9.806 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.912 5.920 8.936 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.149 4.464 11.318 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.543 6.117 11.746 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.923 3.406 12.108 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.570 3.689 11.535 1.00 0.00 H new ATOM 152 N LEU A 13 -8.819 4.024 6.990 1.00 0.00 N ATOM 153 CA LEU A 13 -9.418 3.034 6.101 1.00 0.00 C ATOM 154 C LEU A 13 -8.586 1.758 6.066 1.00 0.00 C ATOM 155 O LEU A 13 -9.119 0.661 5.896 1.00 0.00 O ATOM 156 CB LEU A 13 -9.557 3.605 4.688 1.00 0.00 C ATOM 157 CG LEU A 13 -10.751 4.539 4.481 1.00 0.00 C ATOM 158 CD1 LEU A 13 -10.608 5.306 3.177 1.00 0.00 C ATOM 159 CD2 LEU A 13 -12.052 3.749 4.499 1.00 0.00 C ATOM 0 H LEU A 13 -8.538 4.890 6.530 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.408 2.789 6.486 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.644 4.147 4.440 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.637 2.777 3.984 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.774 5.258 5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.466 5.965 3.047 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.695 5.900 3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.560 4.603 2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -12.892 4.428 4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.039 3.008 3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.158 3.245 5.460 1.00 0.00 H new ATOM 171 N LEU A 14 -7.275 1.907 6.229 1.00 0.00 N ATOM 172 CA LEU A 14 -6.369 0.765 6.214 1.00 0.00 C ATOM 173 C LEU A 14 -6.399 0.030 7.550 1.00 0.00 C ATOM 174 O LEU A 14 -6.395 -1.201 7.593 1.00 0.00 O ATOM 175 CB LEU A 14 -4.942 1.223 5.904 1.00 0.00 C ATOM 176 CG LEU A 14 -4.743 1.810 4.505 1.00 0.00 C ATOM 177 CD1 LEU A 14 -3.426 2.565 4.427 1.00 0.00 C ATOM 178 CD2 LEU A 14 -4.792 0.709 3.455 1.00 0.00 C ATOM 0 H LEU A 14 -6.817 2.807 6.373 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.701 0.080 5.434 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.648 1.970 6.641 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.269 0.374 6.025 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.553 2.512 4.306 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.301 2.976 3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.428 3.377 5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.603 1.885 4.646 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.649 1.143 2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.002 -0.016 3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.760 0.210 3.496 1.00 0.00 H new ATOM 190 N LYS A 15 -6.429 0.790 8.640 1.00 0.00 N ATOM 191 CA LYS A 15 -6.461 0.210 9.977 1.00 0.00 C ATOM 192 C LYS A 15 -7.805 -0.457 10.248 1.00 0.00 C ATOM 193 O LYS A 15 -7.863 -1.626 10.634 1.00 0.00 O ATOM 194 CB LYS A 15 -6.192 1.286 11.029 1.00 0.00 C ATOM 195 CG LYS A 15 -4.745 1.752 11.067 1.00 0.00 C ATOM 196 CD LYS A 15 -4.456 2.572 12.314 1.00 0.00 C ATOM 197 CE LYS A 15 -2.963 2.772 12.516 1.00 0.00 C ATOM 198 NZ LYS A 15 -2.402 1.811 13.505 1.00 0.00 N ATOM 0 H LYS A 15 -6.432 1.810 8.623 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.680 -0.549 10.036 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.836 2.143 10.833 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.466 0.899 12.010 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.082 0.887 11.037 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.530 2.348 10.180 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.947 3.542 12.234 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.878 2.072 13.186 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.449 2.653 11.562 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.776 3.791 12.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.382 1.981 13.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.874 1.941 14.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.557 0.839 13.171 1.00 0.00 H new ATOM 212 N SER A 16 -8.884 0.291 10.044 1.00 0.00 N ATOM 213 CA SER A 16 -10.229 -0.227 10.267 1.00 0.00 C ATOM 214 C SER A 16 -10.502 -1.432 9.373 1.00 0.00 C ATOM 215 O SER A 16 -11.040 -2.444 9.825 1.00 0.00 O ATOM 216 CB SER A 16 -11.268 0.864 10.004 1.00 0.00 C ATOM 217 OG SER A 16 -12.580 0.390 10.256 1.00 0.00 O ATOM 0 H SER A 16 -8.853 1.259 9.724 1.00 0.00 H new ATOM 0 HA SER A 16 -10.302 -0.545 11.307 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.062 1.727 10.637 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.192 1.201 8.970 1.00 0.00 H new ATOM 0 HG SER A 16 -13.226 1.106 10.082 1.00 0.00 H new ATOM 223 N ASN A 17 -10.129 -1.318 8.102 1.00 0.00 N ATOM 224 CA ASN A 17 -10.334 -2.399 7.145 1.00 0.00 C ATOM 225 C ASN A 17 -9.042 -3.174 6.914 1.00 0.00 C ATOM 226 O ASN A 17 -8.779 -3.647 5.809 1.00 0.00 O ATOM 227 CB ASN A 17 -10.853 -1.842 5.819 1.00 0.00 C ATOM 228 CG ASN A 17 -12.006 -0.875 6.008 1.00 0.00 C ATOM 229 OD1 ASN A 17 -13.126 -1.281 6.319 1.00 0.00 O ATOM 230 ND2 ASN A 17 -11.737 0.411 5.819 1.00 0.00 N ATOM 0 H ASN A 17 -9.683 -0.488 7.711 1.00 0.00 H new ATOM 0 HA ASN A 17 -11.076 -3.082 7.559 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.040 -1.336 5.298 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.175 -2.667 5.183 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.473 1.108 5.931 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.794 0.702 5.562 1.00 0.00 H new ATOM 237 N ARG A 18 -8.237 -3.300 7.965 1.00 0.00 N ATOM 238 CA ARG A 18 -6.971 -4.018 7.876 1.00 0.00 C ATOM 239 C ARG A 18 -7.204 -5.516 7.707 1.00 0.00 C ATOM 240 O ARG A 18 -6.561 -6.166 6.885 1.00 0.00 O ATOM 241 CB ARG A 18 -6.125 -3.759 9.124 1.00 0.00 C ATOM 242 CG ARG A 18 -4.765 -4.436 9.087 1.00 0.00 C ATOM 243 CD ARG A 18 -4.269 -4.765 10.486 1.00 0.00 C ATOM 244 NE ARG A 18 -3.319 -3.771 10.979 1.00 0.00 N ATOM 245 CZ ARG A 18 -3.004 -3.618 12.263 1.00 0.00 C ATOM 246 NH1 ARG A 18 -3.561 -4.392 13.187 1.00 0.00 N ATOM 247 NH2 ARG A 18 -2.129 -2.689 12.625 1.00 0.00 N ATOM 0 H ARG A 18 -8.439 -2.914 8.887 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.436 -3.652 7.000 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.984 -2.685 9.241 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.671 -4.106 10.001 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.829 -5.351 8.498 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.047 -3.785 8.589 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.118 -4.824 11.167 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.796 -5.747 10.481 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.870 -3.158 10.299 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.234 -5.108 12.914 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.316 -4.270 14.170 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.698 -2.092 11.919 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.888 -2.572 13.609 1.00 0.00 H new ATOM 261 N GLU A 19 -8.130 -6.057 8.494 1.00 0.00 N ATOM 262 CA GLU A 19 -8.449 -7.478 8.432 1.00 0.00 C ATOM 263 C GLU A 19 -8.975 -7.860 7.052 1.00 0.00 C ATOM 264 O GLU A 19 -8.773 -8.982 6.589 1.00 0.00 O ATOM 265 CB GLU A 19 -9.483 -7.837 9.503 1.00 0.00 C ATOM 266 CG GLU A 19 -8.867 -8.320 10.806 1.00 0.00 C ATOM 267 CD GLU A 19 -8.642 -9.819 10.823 1.00 0.00 C ATOM 268 OE1 GLU A 19 -9.474 -10.550 10.248 1.00 0.00 O ATOM 269 OE2 GLU A 19 -7.634 -10.261 11.414 1.00 0.00 O ATOM 0 H GLU A 19 -8.671 -5.532 9.181 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.533 -8.038 8.618 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.102 -6.963 9.706 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.143 -8.612 9.114 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.916 -7.812 10.965 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.518 -8.044 11.636 1.00 0.00 H new ATOM 276 N LEU A 20 -9.649 -6.919 6.400 1.00 0.00 N ATOM 277 CA LEU A 20 -10.204 -7.157 5.072 1.00 0.00 C ATOM 278 C LEU A 20 -9.110 -7.131 4.012 1.00 0.00 C ATOM 279 O LEU A 20 -9.085 -7.969 3.111 1.00 0.00 O ATOM 280 CB LEU A 20 -11.270 -6.109 4.747 1.00 0.00 C ATOM 281 CG LEU A 20 -12.040 -6.350 3.447 1.00 0.00 C ATOM 282 CD1 LEU A 20 -13.387 -6.996 3.735 1.00 0.00 C ATOM 283 CD2 LEU A 20 -12.226 -5.047 2.684 1.00 0.00 C ATOM 0 H LEU A 20 -9.824 -5.984 6.769 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.663 -8.146 5.070 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.982 -6.070 5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.792 -5.131 4.692 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.457 -7.031 2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.920 -7.159 2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -13.233 -7.952 4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.975 -6.340 4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.776 -5.240 1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.785 -4.342 3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.251 -4.624 2.443 1.00 0.00 H new ATOM 295 N LEU A 21 -8.206 -6.162 4.124 1.00 0.00 N ATOM 296 CA LEU A 21 -7.109 -6.026 3.174 1.00 0.00 C ATOM 297 C LEU A 21 -6.163 -7.221 3.258 1.00 0.00 C ATOM 298 O LEU A 21 -5.616 -7.664 2.249 1.00 0.00 O ATOM 299 CB LEU A 21 -6.337 -4.732 3.437 1.00 0.00 C ATOM 300 CG LEU A 21 -7.108 -3.446 3.133 1.00 0.00 C ATOM 301 CD1 LEU A 21 -6.294 -2.227 3.538 1.00 0.00 C ATOM 302 CD2 LEU A 21 -7.469 -3.380 1.656 1.00 0.00 C ATOM 0 H LEU A 21 -8.212 -5.460 4.864 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.534 -5.992 2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.031 -4.716 4.483 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.426 -4.742 2.838 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.030 -3.451 3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.858 -1.322 3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.084 -2.269 4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.356 -2.216 2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.017 -2.459 1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.558 -3.397 1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.091 -4.236 1.395 1.00 0.00 H new ATOM 314 N VAL A 22 -5.975 -7.737 4.468 1.00 0.00 N ATOM 315 CA VAL A 22 -5.095 -8.878 4.684 1.00 0.00 C ATOM 316 C VAL A 22 -5.713 -10.162 4.138 1.00 0.00 C ATOM 317 O VAL A 22 -5.001 -11.087 3.748 1.00 0.00 O ATOM 318 CB VAL A 22 -4.777 -9.070 6.180 1.00 0.00 C ATOM 319 CG1 VAL A 22 -3.738 -10.163 6.371 1.00 0.00 C ATOM 320 CG2 VAL A 22 -4.305 -7.761 6.798 1.00 0.00 C ATOM 0 H VAL A 22 -6.421 -7.382 5.314 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.169 -8.667 4.148 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.690 -9.378 6.689 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.527 -10.283 7.434 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.119 -11.102 5.968 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.822 -9.889 5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.085 -7.916 7.854 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.405 -7.421 6.286 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.087 -7.008 6.697 1.00 0.00 H new ATOM 330 N THR A 23 -7.041 -10.213 4.114 1.00 0.00 N ATOM 331 CA THR A 23 -7.751 -11.386 3.618 1.00 0.00 C ATOM 332 C THR A 23 -7.935 -11.314 2.105 1.00 0.00 C ATOM 333 O THR A 23 -7.879 -12.332 1.414 1.00 0.00 O ATOM 334 CB THR A 23 -9.113 -11.510 4.304 1.00 0.00 C ATOM 335 OG1 THR A 23 -8.985 -11.346 5.705 1.00 0.00 O ATOM 336 CG2 THR A 23 -9.788 -12.842 4.056 1.00 0.00 C ATOM 0 H THR A 23 -7.647 -9.456 4.432 1.00 0.00 H new ATOM 0 HA THR A 23 -7.152 -12.267 3.850 1.00 0.00 H new ATOM 0 HB THR A 23 -9.729 -10.723 3.870 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.658 -10.443 5.900 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.749 -12.864 4.570 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.946 -12.976 2.986 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.156 -13.646 4.433 1.00 0.00 H new ATOM 344 N HIS A 24 -8.158 -10.106 1.596 1.00 0.00 N ATOM 345 CA HIS A 24 -8.352 -9.905 0.165 1.00 0.00 C ATOM 346 C HIS A 24 -7.014 -9.843 -0.566 1.00 0.00 C ATOM 347 O HIS A 24 -6.782 -10.587 -1.519 1.00 0.00 O ATOM 348 CB HIS A 24 -9.144 -8.620 -0.088 1.00 0.00 C ATOM 349 CG HIS A 24 -10.621 -8.781 0.101 1.00 0.00 C ATOM 350 ND1 HIS A 24 -11.296 -9.967 -0.088 1.00 0.00 N ATOM 351 CD2 HIS A 24 -11.558 -7.871 0.471 1.00 0.00 C ATOM 352 CE1 HIS A 24 -12.592 -9.746 0.167 1.00 0.00 C ATOM 353 NE2 HIS A 24 -12.805 -8.491 0.511 1.00 0.00 N ATOM 0 H HIS A 24 -8.209 -9.253 2.153 1.00 0.00 H new ATOM 0 HA HIS A 24 -8.916 -10.755 -0.221 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.783 -7.842 0.584 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -8.951 -8.278 -1.105 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.367 -6.833 0.698 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -13.363 -10.499 0.100 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -13.698 -8.063 0.756 1.00 0.00 H new ATOM 361 N ILE A 25 -6.139 -8.951 -0.114 1.00 0.00 N ATOM 362 CA ILE A 25 -4.825 -8.794 -0.726 1.00 0.00 C ATOM 363 C ILE A 25 -3.983 -10.053 -0.551 1.00 0.00 C ATOM 364 O ILE A 25 -3.779 -10.526 0.567 1.00 0.00 O ATOM 365 CB ILE A 25 -4.065 -7.593 -0.128 1.00 0.00 C ATOM 366 CG1 ILE A 25 -4.931 -6.332 -0.187 1.00 0.00 C ATOM 367 CG2 ILE A 25 -2.752 -7.372 -0.867 1.00 0.00 C ATOM 368 CD1 ILE A 25 -4.271 -5.117 0.430 1.00 0.00 C ATOM 0 H ILE A 25 -6.316 -8.327 0.673 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.991 -8.616 -1.789 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.840 -7.811 0.916 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.173 -6.115 -1.227 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.873 -6.524 0.326 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.229 -6.521 -0.432 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.131 -8.263 -0.779 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.956 -7.174 -1.919 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.941 -4.261 0.353 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.054 -5.315 1.480 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.342 -4.900 -0.098 1.00 0.00 H new ATOM 380 N ARG A 26 -3.496 -10.592 -1.664 1.00 0.00 N ATOM 381 CA ARG A 26 -2.676 -11.797 -1.636 1.00 0.00 C ATOM 382 C ARG A 26 -1.235 -11.483 -2.029 1.00 0.00 C ATOM 383 O ARG A 26 -0.292 -11.948 -1.391 1.00 0.00 O ATOM 384 CB ARG A 26 -3.254 -12.855 -2.578 1.00 0.00 C ATOM 385 CG ARG A 26 -2.571 -14.209 -2.465 1.00 0.00 C ATOM 386 CD ARG A 26 -3.567 -15.349 -2.611 1.00 0.00 C ATOM 387 NE ARG A 26 -2.904 -16.648 -2.690 1.00 0.00 N ATOM 388 CZ ARG A 26 -2.334 -17.123 -3.795 1.00 0.00 C ATOM 389 NH1 ARG A 26 -2.343 -16.411 -4.915 1.00 0.00 N ATOM 390 NH2 ARG A 26 -1.752 -18.316 -3.781 1.00 0.00 N ATOM 0 H ARG A 26 -3.655 -10.213 -2.597 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.680 -12.186 -0.618 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.317 -12.975 -2.368 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.170 -12.500 -3.605 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.802 -14.295 -3.233 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.068 -14.285 -1.501 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.252 -15.343 -1.763 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.167 -15.193 -3.507 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.876 -17.225 -1.849 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.789 -15.494 -4.933 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -1.904 -16.781 -5.758 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.742 -18.868 -2.924 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.315 -18.680 -4.628 1.00 0.00 H new ATOM 404 N ASN A 27 -1.074 -10.691 -3.083 1.00 0.00 N ATOM 405 CA ASN A 27 0.252 -10.313 -3.562 1.00 0.00 C ATOM 406 C ASN A 27 0.735 -9.040 -2.875 1.00 0.00 C ATOM 407 O ASN A 27 0.037 -8.027 -2.862 1.00 0.00 O ATOM 408 CB ASN A 27 0.232 -10.114 -5.078 1.00 0.00 C ATOM 409 CG ASN A 27 -0.031 -11.404 -5.828 1.00 0.00 C ATOM 410 OD1 ASN A 27 -1.174 -11.731 -6.144 1.00 0.00 O ATOM 411 ND2 ASN A 27 1.031 -12.147 -6.118 1.00 0.00 N ATOM 0 H ASN A 27 -1.845 -10.298 -3.623 1.00 0.00 H new ATOM 0 HA ASN A 27 0.943 -11.120 -3.319 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.536 -9.385 -5.336 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.187 -9.699 -5.400 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.916 -13.026 -6.622 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.962 -11.838 -5.837 1.00 0.00 H new ATOM 418 N THR A 28 1.935 -9.100 -2.306 1.00 0.00 N ATOM 419 CA THR A 28 2.512 -7.951 -1.617 1.00 0.00 C ATOM 420 C THR A 28 3.638 -7.333 -2.439 1.00 0.00 C ATOM 421 O THR A 28 3.836 -6.119 -2.423 1.00 0.00 O ATOM 422 CB THR A 28 3.035 -8.365 -0.241 1.00 0.00 C ATOM 423 OG1 THR A 28 3.412 -9.730 -0.238 1.00 0.00 O ATOM 424 CG2 THR A 28 2.026 -8.164 0.869 1.00 0.00 C ATOM 0 H THR A 28 2.526 -9.931 -2.308 1.00 0.00 H new ATOM 0 HA THR A 28 1.729 -7.204 -1.489 1.00 0.00 H new ATOM 0 HB THR A 28 3.892 -7.718 -0.051 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.138 -10.143 0.607 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.462 -8.477 1.818 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.753 -7.110 0.926 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.136 -8.759 0.664 1.00 0.00 H new ATOM 432 N GLN A 29 4.374 -8.178 -3.156 1.00 0.00 N ATOM 433 CA GLN A 29 5.482 -7.714 -3.984 1.00 0.00 C ATOM 434 C GLN A 29 5.006 -6.689 -5.008 1.00 0.00 C ATOM 435 O GLN A 29 5.714 -5.730 -5.318 1.00 0.00 O ATOM 436 CB GLN A 29 6.144 -8.897 -4.695 1.00 0.00 C ATOM 437 CG GLN A 29 7.403 -9.394 -4.005 1.00 0.00 C ATOM 438 CD GLN A 29 8.472 -8.324 -3.900 1.00 0.00 C ATOM 439 OE1 GLN A 29 9.031 -8.090 -2.828 1.00 0.00 O ATOM 440 NE2 GLN A 29 8.761 -7.665 -5.017 1.00 0.00 N ATOM 0 H GLN A 29 4.223 -9.186 -3.180 1.00 0.00 H new ATOM 0 HA GLN A 29 6.214 -7.235 -3.333 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.429 -9.717 -4.762 1.00 0.00 H new ATOM 0 HB3 GLN A 29 6.390 -8.605 -5.716 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.149 -9.748 -3.006 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.801 -10.247 -4.554 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.273 -7.892 -5.884 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.471 -6.933 -5.008 1.00 0.00 H new ATOM 449 N CYS A 30 3.802 -6.897 -5.531 1.00 0.00 N ATOM 450 CA CYS A 30 3.232 -5.991 -6.521 1.00 0.00 C ATOM 451 C CYS A 30 3.093 -4.581 -5.952 1.00 0.00 C ATOM 452 O CYS A 30 3.347 -3.595 -6.643 1.00 0.00 O ATOM 453 CB CYS A 30 1.867 -6.502 -6.984 1.00 0.00 C ATOM 454 SG CYS A 30 1.906 -8.158 -7.707 1.00 0.00 S ATOM 0 H CYS A 30 3.202 -7.685 -5.286 1.00 0.00 H new ATOM 0 HA CYS A 30 3.908 -5.954 -7.375 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.184 -6.504 -6.134 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.460 -5.806 -7.718 1.00 0.00 H new ATOM 0 HG CYS A 30 0.705 -8.503 -8.066 1.00 0.00 H new ATOM 460 N LEU A 31 2.686 -4.496 -4.689 1.00 0.00 N ATOM 461 CA LEU A 31 2.512 -3.208 -4.028 1.00 0.00 C ATOM 462 C LEU A 31 3.862 -2.574 -3.707 1.00 0.00 C ATOM 463 O LEU A 31 4.010 -1.352 -3.746 1.00 0.00 O ATOM 464 CB LEU A 31 1.696 -3.376 -2.745 1.00 0.00 C ATOM 465 CG LEU A 31 0.258 -3.856 -2.951 1.00 0.00 C ATOM 466 CD1 LEU A 31 -0.170 -4.764 -1.809 1.00 0.00 C ATOM 467 CD2 LEU A 31 -0.685 -2.669 -3.073 1.00 0.00 C ATOM 0 H LEU A 31 2.471 -5.303 -4.104 1.00 0.00 H new ATOM 0 HA LEU A 31 1.974 -2.548 -4.709 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.210 -4.085 -2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.673 -2.421 -2.220 1.00 0.00 H new ATOM 0 HG LEU A 31 0.214 -4.428 -3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.195 -5.096 -1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.489 -5.631 -1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.111 -4.217 -0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.704 -3.027 -3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.638 -2.072 -2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.390 -2.056 -3.925 1.00 0.00 H new ATOM 479 N VAL A 32 4.844 -3.411 -3.388 1.00 0.00 N ATOM 480 CA VAL A 32 6.181 -2.932 -3.061 1.00 0.00 C ATOM 481 C VAL A 32 6.945 -2.532 -4.318 1.00 0.00 C ATOM 482 O VAL A 32 7.754 -1.604 -4.295 1.00 0.00 O ATOM 483 CB VAL A 32 6.989 -3.998 -2.299 1.00 0.00 C ATOM 484 CG1 VAL A 32 8.302 -3.416 -1.796 1.00 0.00 C ATOM 485 CG2 VAL A 32 6.173 -4.567 -1.147 1.00 0.00 C ATOM 0 H VAL A 32 4.738 -4.425 -3.349 1.00 0.00 H new ATOM 0 HA VAL A 32 6.056 -2.058 -2.422 1.00 0.00 H new ATOM 0 HB VAL A 32 7.219 -4.812 -2.987 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.859 -4.184 -1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.892 -3.064 -2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.097 -2.582 -1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.761 -5.319 -0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.909 -3.765 -0.458 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.264 -5.025 -1.537 1.00 0.00 H new ATOM 495 N ASP A 33 6.685 -3.239 -5.412 1.00 0.00 N ATOM 496 CA ASP A 33 7.350 -2.958 -6.680 1.00 0.00 C ATOM 497 C ASP A 33 6.911 -1.608 -7.237 1.00 0.00 C ATOM 498 O ASP A 33 7.723 -0.848 -7.763 1.00 0.00 O ATOM 499 CB ASP A 33 7.053 -4.068 -7.692 1.00 0.00 C ATOM 500 CG ASP A 33 8.309 -4.784 -8.150 1.00 0.00 C ATOM 501 OD1 ASP A 33 9.330 -4.104 -8.382 1.00 0.00 O ATOM 502 OD2 ASP A 33 8.270 -6.026 -8.277 1.00 0.00 O ATOM 0 H ASP A 33 6.019 -4.011 -5.447 1.00 0.00 H new ATOM 0 HA ASP A 33 8.424 -2.921 -6.500 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.369 -4.790 -7.245 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.546 -3.641 -8.557 1.00 0.00 H new ATOM 507 N ASN A 34 5.619 -1.316 -7.119 1.00 0.00 N ATOM 508 CA ASN A 34 5.072 -0.057 -7.611 1.00 0.00 C ATOM 509 C ASN A 34 5.528 1.112 -6.744 1.00 0.00 C ATOM 510 O ASN A 34 5.968 2.142 -7.255 1.00 0.00 O ATOM 511 CB ASN A 34 3.543 -0.118 -7.642 1.00 0.00 C ATOM 512 CG ASN A 34 3.029 -1.358 -8.348 1.00 0.00 C ATOM 513 OD1 ASN A 34 3.654 -1.859 -9.284 1.00 0.00 O ATOM 514 ND2 ASN A 34 1.884 -1.862 -7.900 1.00 0.00 N ATOM 0 H ASN A 34 4.932 -1.934 -6.687 1.00 0.00 H new ATOM 0 HA ASN A 34 5.444 0.099 -8.624 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.160 -0.099 -6.622 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.157 0.769 -8.144 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.489 -2.696 -8.334 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.400 -1.415 -7.122 1.00 0.00 H new ATOM 521 N LEU A 35 5.420 0.945 -5.430 1.00 0.00 N ATOM 522 CA LEU A 35 5.822 1.986 -4.492 1.00 0.00 C ATOM 523 C LEU A 35 7.303 2.316 -4.648 1.00 0.00 C ATOM 524 O LEU A 35 7.711 3.469 -4.510 1.00 0.00 O ATOM 525 CB LEU A 35 5.534 1.547 -3.055 1.00 0.00 C ATOM 526 CG LEU A 35 4.055 1.522 -2.669 1.00 0.00 C ATOM 527 CD1 LEU A 35 3.822 0.572 -1.504 1.00 0.00 C ATOM 528 CD2 LEU A 35 3.573 2.923 -2.321 1.00 0.00 C ATOM 0 H LEU A 35 5.057 0.099 -4.991 1.00 0.00 H new ATOM 0 HA LEU A 35 5.243 2.883 -4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.949 0.550 -2.906 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.060 2.217 -2.375 1.00 0.00 H new ATOM 0 HG LEU A 35 3.482 1.162 -3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.763 0.568 -1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.130 -0.434 -1.788 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.406 0.901 -0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.518 2.888 -2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.152 3.309 -1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.703 3.577 -3.183 1.00 0.00 H new ATOM 540 N LEU A 36 8.104 1.296 -4.935 1.00 0.00 N ATOM 541 CA LEU A 36 9.540 1.476 -5.111 1.00 0.00 C ATOM 542 C LEU A 36 9.839 2.247 -6.394 1.00 0.00 C ATOM 543 O LEU A 36 10.641 3.179 -6.398 1.00 0.00 O ATOM 544 CB LEU A 36 10.247 0.120 -5.140 1.00 0.00 C ATOM 545 CG LEU A 36 10.408 -0.555 -3.777 1.00 0.00 C ATOM 546 CD1 LEU A 36 10.851 -2.000 -3.946 1.00 0.00 C ATOM 547 CD2 LEU A 36 11.401 0.212 -2.918 1.00 0.00 C ATOM 0 H LEU A 36 7.783 0.335 -5.051 1.00 0.00 H new ATOM 0 HA LEU A 36 9.914 2.054 -4.266 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.690 -0.549 -5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.235 0.252 -5.582 1.00 0.00 H new ATOM 0 HG LEU A 36 9.441 -0.550 -3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.960 -2.464 -2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.104 -2.544 -4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.807 -2.029 -4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.504 -0.282 -1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.370 0.238 -3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.042 1.230 -2.769 1.00 0.00 H new ATOM 559 N LYS A 37 9.186 1.850 -7.481 1.00 0.00 N ATOM 560 CA LYS A 37 9.382 2.503 -8.771 1.00 0.00 C ATOM 561 C LYS A 37 8.989 3.975 -8.699 1.00 0.00 C ATOM 562 O LYS A 37 9.633 4.830 -9.308 1.00 0.00 O ATOM 563 CB LYS A 37 8.562 1.797 -9.853 1.00 0.00 C ATOM 564 CG LYS A 37 8.766 2.374 -11.243 1.00 0.00 C ATOM 565 CD LYS A 37 8.102 1.513 -12.306 1.00 0.00 C ATOM 566 CE LYS A 37 7.866 2.294 -13.588 1.00 0.00 C ATOM 567 NZ LYS A 37 7.356 1.423 -14.683 1.00 0.00 N ATOM 0 H LYS A 37 8.517 1.080 -7.495 1.00 0.00 H new ATOM 0 HA LYS A 37 10.440 2.439 -9.027 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.826 0.740 -9.865 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.505 1.859 -9.594 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.357 3.383 -11.283 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.833 2.454 -11.452 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.728 0.646 -12.517 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.152 1.135 -11.929 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.151 3.095 -13.399 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.797 2.765 -13.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.208 1.993 -15.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.049 0.673 -14.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.454 0.993 -14.393 1.00 0.00 H new ATOM 581 N ASN A 38 7.930 4.264 -7.949 1.00 0.00 N ATOM 582 CA ASN A 38 7.451 5.633 -7.795 1.00 0.00 C ATOM 583 C ASN A 38 8.240 6.381 -6.721 1.00 0.00 C ATOM 584 O ASN A 38 7.974 7.553 -6.451 1.00 0.00 O ATOM 585 CB ASN A 38 5.963 5.636 -7.443 1.00 0.00 C ATOM 586 CG ASN A 38 5.099 5.125 -8.579 1.00 0.00 C ATOM 587 OD1 ASN A 38 4.981 5.767 -9.623 1.00 0.00 O ATOM 588 ND2 ASN A 38 4.488 3.962 -8.381 1.00 0.00 N ATOM 0 H ASN A 38 7.387 3.568 -7.438 1.00 0.00 H new ATOM 0 HA ASN A 38 7.598 6.147 -8.745 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.800 5.018 -6.560 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.656 6.649 -7.184 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.893 3.568 -9.110 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.614 3.463 -7.500 1.00 0.00 H new ATOM 595 N ASP A 39 9.210 5.704 -6.109 1.00 0.00 N ATOM 596 CA ASP A 39 10.029 6.314 -5.066 1.00 0.00 C ATOM 597 C ASP A 39 9.188 6.635 -3.834 1.00 0.00 C ATOM 598 O ASP A 39 8.917 7.800 -3.540 1.00 0.00 O ATOM 599 CB ASP A 39 10.700 7.586 -5.589 1.00 0.00 C ATOM 600 CG ASP A 39 11.978 7.915 -4.842 1.00 0.00 C ATOM 601 OD1 ASP A 39 11.896 8.233 -3.638 1.00 0.00 O ATOM 602 OD2 ASP A 39 13.060 7.854 -5.462 1.00 0.00 O ATOM 0 H ASP A 39 9.447 4.734 -6.318 1.00 0.00 H new ATOM 0 HA ASP A 39 10.801 5.599 -4.781 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.923 7.466 -6.649 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.006 8.422 -5.502 1.00 0.00 H new ATOM 607 N TYR A 40 8.779 5.594 -3.117 1.00 0.00 N ATOM 608 CA TYR A 40 7.971 5.763 -1.914 1.00 0.00 C ATOM 609 C TYR A 40 8.527 4.930 -0.764 1.00 0.00 C ATOM 610 O TYR A 40 8.697 5.427 0.349 1.00 0.00 O ATOM 611 CB TYR A 40 6.520 5.366 -2.190 1.00 0.00 C ATOM 612 CG TYR A 40 5.672 6.501 -2.721 1.00 0.00 C ATOM 613 CD1 TYR A 40 5.672 6.820 -4.073 1.00 0.00 C ATOM 614 CD2 TYR A 40 4.870 7.250 -1.870 1.00 0.00 C ATOM 615 CE1 TYR A 40 4.898 7.856 -4.561 1.00 0.00 C ATOM 616 CE2 TYR A 40 4.093 8.288 -2.350 1.00 0.00 C ATOM 617 CZ TYR A 40 4.111 8.586 -3.697 1.00 0.00 C ATOM 618 OH TYR A 40 3.339 9.618 -4.179 1.00 0.00 O ATOM 0 H TYR A 40 8.994 4.624 -3.348 1.00 0.00 H new ATOM 0 HA TYR A 40 8.006 6.814 -1.628 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.507 4.547 -2.909 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.074 4.990 -1.269 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.287 6.249 -4.754 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.853 7.018 -0.815 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.910 8.092 -5.615 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.476 8.862 -1.675 1.00 0.00 H new ATOM 0 HH TYR A 40 2.569 9.252 -4.663 1.00 0.00 H new ATOM 628 N PHE A 41 8.811 3.662 -1.042 1.00 0.00 N ATOM 629 CA PHE A 41 9.349 2.759 -0.031 1.00 0.00 C ATOM 630 C PHE A 41 10.873 2.733 -0.083 1.00 0.00 C ATOM 631 O PHE A 41 11.472 2.958 -1.136 1.00 0.00 O ATOM 632 CB PHE A 41 8.795 1.348 -0.231 1.00 0.00 C ATOM 633 CG PHE A 41 7.573 1.060 0.593 1.00 0.00 C ATOM 634 CD1 PHE A 41 6.477 1.908 0.550 1.00 0.00 C ATOM 635 CD2 PHE A 41 7.520 -0.058 1.411 1.00 0.00 C ATOM 636 CE1 PHE A 41 5.351 1.645 1.308 1.00 0.00 C ATOM 637 CE2 PHE A 41 6.396 -0.325 2.171 1.00 0.00 C ATOM 638 CZ PHE A 41 5.311 0.528 2.119 1.00 0.00 C ATOM 0 H PHE A 41 8.678 3.236 -1.959 1.00 0.00 H new ATOM 0 HA PHE A 41 9.043 3.125 0.949 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.554 1.207 -1.285 1.00 0.00 H new ATOM 0 HB3 PHE A 41 9.570 0.623 0.018 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.503 2.783 -0.082 1.00 0.00 H new ATOM 0 HD2 PHE A 41 8.366 -0.728 1.455 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.503 2.313 1.266 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.367 -1.199 2.804 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.432 0.322 2.712 1.00 0.00 H new ATOM 648 N SER A 42 11.495 2.458 1.058 1.00 0.00 N ATOM 649 CA SER A 42 12.950 2.401 1.141 1.00 0.00 C ATOM 650 C SER A 42 13.436 0.958 1.211 1.00 0.00 C ATOM 651 O SER A 42 12.644 0.034 1.401 1.00 0.00 O ATOM 652 CB SER A 42 13.441 3.177 2.365 1.00 0.00 C ATOM 653 OG SER A 42 12.902 4.488 2.389 1.00 0.00 O ATOM 0 H SER A 42 11.015 2.271 1.938 1.00 0.00 H new ATOM 0 HA SER A 42 13.359 2.858 0.240 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.156 2.647 3.274 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.530 3.228 2.354 1.00 0.00 H new ATOM 0 HG SER A 42 13.230 4.962 3.182 1.00 0.00 H new ATOM 659 N ALA A 43 14.743 0.770 1.056 1.00 0.00 N ATOM 660 CA ALA A 43 15.334 -0.561 1.100 1.00 0.00 C ATOM 661 C ALA A 43 15.131 -1.207 2.466 1.00 0.00 C ATOM 662 O ALA A 43 15.016 -2.428 2.576 1.00 0.00 O ATOM 663 CB ALA A 43 16.817 -0.491 0.763 1.00 0.00 C ATOM 0 H ALA A 43 15.412 1.524 0.899 1.00 0.00 H new ATOM 0 HA ALA A 43 14.832 -1.179 0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 43 17.246 -1.492 0.800 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.944 -0.078 -0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 43 17.325 0.148 1.486 1.00 0.00 H new ATOM 669 N GLU A 44 15.085 -0.380 3.506 1.00 0.00 N ATOM 670 CA GLU A 44 14.895 -0.872 4.866 1.00 0.00 C ATOM 671 C GLU A 44 13.438 -1.249 5.109 1.00 0.00 C ATOM 672 O GLU A 44 13.143 -2.163 5.879 1.00 0.00 O ATOM 673 CB GLU A 44 15.336 0.187 5.878 1.00 0.00 C ATOM 674 CG GLU A 44 16.717 0.757 5.600 1.00 0.00 C ATOM 675 CD GLU A 44 16.668 2.021 4.764 1.00 0.00 C ATOM 676 OE1 GLU A 44 16.071 3.016 5.226 1.00 0.00 O ATOM 677 OE2 GLU A 44 17.226 2.014 3.646 1.00 0.00 O ATOM 0 H GLU A 44 15.177 0.633 3.433 1.00 0.00 H new ATOM 0 HA GLU A 44 15.508 -1.764 4.993 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.610 1.000 5.880 1.00 0.00 H new ATOM 0 HB3 GLU A 44 15.327 -0.251 6.876 1.00 0.00 H new ATOM 0 HG2 GLU A 44 17.215 0.970 6.546 1.00 0.00 H new ATOM 0 HG3 GLU A 44 17.318 0.008 5.085 1.00 0.00 H new ATOM 684 N ASP A 45 12.529 -0.538 4.448 1.00 0.00 N ATOM 685 CA ASP A 45 11.102 -0.799 4.592 1.00 0.00 C ATOM 686 C ASP A 45 10.713 -2.103 3.905 1.00 0.00 C ATOM 687 O ASP A 45 10.024 -2.941 4.486 1.00 0.00 O ATOM 688 CB ASP A 45 10.290 0.359 4.010 1.00 0.00 C ATOM 689 CG ASP A 45 10.309 1.586 4.902 1.00 0.00 C ATOM 690 OD1 ASP A 45 11.414 2.058 5.238 1.00 0.00 O ATOM 691 OD2 ASP A 45 9.217 2.074 5.264 1.00 0.00 O ATOM 0 H ASP A 45 12.756 0.223 3.808 1.00 0.00 H new ATOM 0 HA ASP A 45 10.882 -0.891 5.655 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.687 0.620 3.029 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.259 0.037 3.861 1.00 0.00 H new ATOM 696 N ALA A 46 11.159 -2.268 2.665 1.00 0.00 N ATOM 697 CA ALA A 46 10.859 -3.469 1.897 1.00 0.00 C ATOM 698 C ALA A 46 11.475 -4.705 2.546 1.00 0.00 C ATOM 699 O ALA A 46 10.939 -5.807 2.436 1.00 0.00 O ATOM 700 CB ALA A 46 11.353 -3.319 0.465 1.00 0.00 C ATOM 0 H ALA A 46 11.731 -1.583 2.170 1.00 0.00 H new ATOM 0 HA ALA A 46 9.777 -3.600 1.883 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.122 -4.224 -0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.860 -2.466 -0.002 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.431 -3.159 0.467 1.00 0.00 H new ATOM 706 N GLU A 47 12.602 -4.512 3.223 1.00 0.00 N ATOM 707 CA GLU A 47 13.291 -5.612 3.890 1.00 0.00 C ATOM 708 C GLU A 47 12.430 -6.195 5.006 1.00 0.00 C ATOM 709 O GLU A 47 12.430 -7.405 5.235 1.00 0.00 O ATOM 710 CB GLU A 47 14.631 -5.133 4.454 1.00 0.00 C ATOM 711 CG GLU A 47 15.798 -6.043 4.103 1.00 0.00 C ATOM 712 CD GLU A 47 16.856 -6.076 5.187 1.00 0.00 C ATOM 713 OE1 GLU A 47 16.677 -6.826 6.170 1.00 0.00 O ATOM 714 OE2 GLU A 47 17.865 -5.352 5.054 1.00 0.00 O ATOM 0 H GLU A 47 13.058 -3.605 3.325 1.00 0.00 H new ATOM 0 HA GLU A 47 13.475 -6.395 3.154 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.837 -4.131 4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.553 -5.057 5.539 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.427 -7.054 3.931 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.249 -5.706 3.170 1.00 0.00 H new ATOM 721 N ILE A 48 11.699 -5.328 5.698 1.00 0.00 N ATOM 722 CA ILE A 48 10.835 -5.758 6.791 1.00 0.00 C ATOM 723 C ILE A 48 9.631 -6.533 6.265 1.00 0.00 C ATOM 724 O ILE A 48 9.179 -7.493 6.888 1.00 0.00 O ATOM 725 CB ILE A 48 10.339 -4.558 7.622 1.00 0.00 C ATOM 726 CG1 ILE A 48 11.519 -3.682 8.048 1.00 0.00 C ATOM 727 CG2 ILE A 48 9.563 -5.039 8.840 1.00 0.00 C ATOM 728 CD1 ILE A 48 11.140 -2.238 8.298 1.00 0.00 C ATOM 0 H ILE A 48 11.688 -4.323 5.521 1.00 0.00 H new ATOM 0 HA ILE A 48 11.432 -6.409 7.430 1.00 0.00 H new ATOM 0 HB ILE A 48 9.670 -3.960 7.003 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.960 -4.096 8.955 1.00 0.00 H new ATOM 0 HG13 ILE A 48 12.287 -3.719 7.275 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.220 -4.179 9.416 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.703 -5.625 8.515 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.210 -5.658 9.462 1.00 0.00 H new ATOM 0 HD11 ILE A 48 12.025 -1.676 8.596 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.727 -1.807 7.386 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.395 -2.190 9.092 1.00 0.00 H new ATOM 740 N VAL A 49 9.117 -6.110 5.116 1.00 0.00 N ATOM 741 CA VAL A 49 7.966 -6.765 4.505 1.00 0.00 C ATOM 742 C VAL A 49 8.268 -8.226 4.193 1.00 0.00 C ATOM 743 O VAL A 49 7.621 -9.130 4.720 1.00 0.00 O ATOM 744 CB VAL A 49 7.537 -6.053 3.209 1.00 0.00 C ATOM 745 CG1 VAL A 49 6.224 -6.625 2.694 1.00 0.00 C ATOM 746 CG2 VAL A 49 7.420 -4.553 3.437 1.00 0.00 C ATOM 0 H VAL A 49 9.479 -5.316 4.588 1.00 0.00 H new ATOM 0 HA VAL A 49 7.151 -6.711 5.227 1.00 0.00 H new ATOM 0 HB VAL A 49 8.303 -6.224 2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.937 -6.109 1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.346 -7.689 2.489 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.447 -6.487 3.446 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.116 -4.067 2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.676 -4.359 4.209 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.384 -4.157 3.755 1.00 0.00 H new ATOM 756 N CYS A 50 9.259 -8.450 3.336 1.00 0.00 N ATOM 757 CA CYS A 50 9.650 -9.803 2.956 1.00 0.00 C ATOM 758 C CYS A 50 10.104 -10.602 4.174 1.00 0.00 C ATOM 759 O CYS A 50 9.978 -11.826 4.207 1.00 0.00 O ATOM 760 CB CYS A 50 10.769 -9.759 1.914 1.00 0.00 C ATOM 761 SG CYS A 50 10.184 -9.675 0.205 1.00 0.00 S ATOM 0 H CYS A 50 9.806 -7.712 2.892 1.00 0.00 H new ATOM 0 HA CYS A 50 8.780 -10.298 2.524 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.402 -8.894 2.113 1.00 0.00 H new ATOM 0 HB3 CYS A 50 11.394 -10.645 2.030 1.00 0.00 H new ATOM 0 HG CYS A 50 11.203 -9.639 -0.601 1.00 0.00 H new ATOM 767 N ALA A 51 10.632 -9.900 5.172 1.00 0.00 N ATOM 768 CA ALA A 51 11.105 -10.543 6.393 1.00 0.00 C ATOM 769 C ALA A 51 9.997 -11.354 7.059 1.00 0.00 C ATOM 770 O ALA A 51 10.268 -12.271 7.835 1.00 0.00 O ATOM 771 CB ALA A 51 11.653 -9.503 7.357 1.00 0.00 C ATOM 0 H ALA A 51 10.743 -8.886 5.159 1.00 0.00 H new ATOM 0 HA ALA A 51 11.905 -11.232 6.122 1.00 0.00 H new ATOM 0 HB1 ALA A 51 12.003 -9.996 8.264 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.483 -8.974 6.888 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.867 -8.792 7.611 1.00 0.00 H new ATOM 777 N CYS A 52 8.748 -11.011 6.755 1.00 0.00 N ATOM 778 CA CYS A 52 7.601 -11.708 7.328 1.00 0.00 C ATOM 779 C CYS A 52 7.702 -13.215 7.093 1.00 0.00 C ATOM 780 O CYS A 52 8.378 -13.663 6.167 1.00 0.00 O ATOM 781 CB CYS A 52 6.301 -11.174 6.726 1.00 0.00 C ATOM 782 SG CYS A 52 5.596 -9.770 7.621 1.00 0.00 S ATOM 0 H CYS A 52 8.505 -10.255 6.115 1.00 0.00 H new ATOM 0 HA CYS A 52 7.599 -11.526 8.403 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.486 -10.877 5.694 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.567 -11.980 6.699 1.00 0.00 H new ATOM 0 HG CYS A 52 5.954 -8.662 7.042 1.00 0.00 H new ATOM 788 N PRO A 53 7.030 -14.018 7.936 1.00 0.00 N ATOM 789 CA PRO A 53 7.049 -15.477 7.819 1.00 0.00 C ATOM 790 C PRO A 53 6.132 -15.983 6.711 1.00 0.00 C ATOM 791 O PRO A 53 6.472 -16.923 5.990 1.00 0.00 O ATOM 792 CB PRO A 53 6.544 -15.938 9.184 1.00 0.00 C ATOM 793 CG PRO A 53 5.637 -14.847 9.634 1.00 0.00 C ATOM 794 CD PRO A 53 6.201 -13.567 9.071 1.00 0.00 C ATOM 0 HA PRO A 53 8.038 -15.857 7.560 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.016 -16.889 9.111 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.367 -16.083 9.883 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.621 -15.014 9.277 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.589 -14.805 10.722 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.411 -12.891 8.745 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.794 -13.031 9.812 1.00 0.00 H new ATOM 802 N THR A 54 4.968 -15.356 6.579 1.00 0.00 N ATOM 803 CA THR A 54 4.001 -15.744 5.558 1.00 0.00 C ATOM 804 C THR A 54 3.512 -14.527 4.780 1.00 0.00 C ATOM 805 O THR A 54 3.965 -13.407 5.010 1.00 0.00 O ATOM 806 CB THR A 54 2.815 -16.465 6.200 1.00 0.00 C ATOM 807 OG1 THR A 54 2.205 -15.650 7.185 1.00 0.00 O ATOM 808 CG2 THR A 54 3.195 -17.775 6.857 1.00 0.00 C ATOM 0 H THR A 54 4.671 -14.577 7.166 1.00 0.00 H new ATOM 0 HA THR A 54 4.496 -16.421 4.862 1.00 0.00 H new ATOM 0 HB THR A 54 2.127 -16.675 5.381 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.448 -16.129 7.582 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.308 -18.234 7.293 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.622 -18.446 6.111 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.929 -17.589 7.641 1.00 0.00 H new ATOM 816 N GLN A 55 2.583 -14.757 3.857 1.00 0.00 N ATOM 817 CA GLN A 55 2.031 -13.680 3.044 1.00 0.00 C ATOM 818 C GLN A 55 1.102 -12.791 3.869 1.00 0.00 C ATOM 819 O GLN A 55 1.262 -11.571 3.897 1.00 0.00 O ATOM 820 CB GLN A 55 1.275 -14.256 1.843 1.00 0.00 C ATOM 821 CG GLN A 55 1.639 -13.596 0.523 1.00 0.00 C ATOM 822 CD GLN A 55 2.729 -14.342 -0.221 1.00 0.00 C ATOM 823 OE1 GLN A 55 2.465 -15.025 -1.211 1.00 0.00 O ATOM 824 NE2 GLN A 55 3.962 -14.216 0.254 1.00 0.00 N ATOM 0 H GLN A 55 2.197 -15.679 3.654 1.00 0.00 H new ATOM 0 HA GLN A 55 2.859 -13.069 2.685 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.479 -15.325 1.774 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.204 -14.146 2.012 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.751 -13.536 -0.106 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.967 -12.573 0.711 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.135 -13.639 1.077 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.737 -14.696 -0.204 1.00 0.00 H new ATOM 833 N PRO A 56 0.116 -13.393 4.558 1.00 0.00 N ATOM 834 CA PRO A 56 -0.838 -12.648 5.386 1.00 0.00 C ATOM 835 C PRO A 56 -0.144 -11.686 6.346 1.00 0.00 C ATOM 836 O PRO A 56 -0.705 -10.660 6.726 1.00 0.00 O ATOM 837 CB PRO A 56 -1.568 -13.745 6.163 1.00 0.00 C ATOM 838 CG PRO A 56 -1.470 -14.949 5.292 1.00 0.00 C ATOM 839 CD PRO A 56 -0.148 -14.845 4.584 1.00 0.00 C ATOM 0 HA PRO A 56 -1.498 -12.023 4.784 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.104 -13.919 7.134 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.607 -13.474 6.350 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.525 -15.863 5.883 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.293 -14.982 4.578 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.635 -15.386 5.115 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.198 -15.262 3.578 1.00 0.00 H new ATOM 847 N ASP A 57 1.081 -12.027 6.733 1.00 0.00 N ATOM 848 CA ASP A 57 1.853 -11.194 7.647 1.00 0.00 C ATOM 849 C ASP A 57 2.510 -10.037 6.902 1.00 0.00 C ATOM 850 O ASP A 57 2.675 -8.947 7.449 1.00 0.00 O ATOM 851 CB ASP A 57 2.920 -12.030 8.357 1.00 0.00 C ATOM 852 CG ASP A 57 2.376 -12.744 9.579 1.00 0.00 C ATOM 853 OD1 ASP A 57 1.240 -13.256 9.511 1.00 0.00 O ATOM 854 OD2 ASP A 57 3.088 -12.789 10.604 1.00 0.00 O ATOM 0 H ASP A 57 1.560 -12.874 6.428 1.00 0.00 H new ATOM 0 HA ASP A 57 1.170 -10.784 8.391 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.325 -12.764 7.661 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.746 -11.384 8.655 1.00 0.00 H new ATOM 859 N LYS A 58 2.881 -10.282 5.650 1.00 0.00 N ATOM 860 CA LYS A 58 3.520 -9.261 4.827 1.00 0.00 C ATOM 861 C LYS A 58 2.573 -8.092 4.581 1.00 0.00 C ATOM 862 O LYS A 58 2.975 -6.930 4.645 1.00 0.00 O ATOM 863 CB LYS A 58 3.969 -9.859 3.493 1.00 0.00 C ATOM 864 CG LYS A 58 5.096 -10.869 3.629 1.00 0.00 C ATOM 865 CD LYS A 58 5.113 -11.850 2.466 1.00 0.00 C ATOM 866 CE LYS A 58 6.485 -11.917 1.814 1.00 0.00 C ATOM 867 NZ LYS A 58 7.481 -12.604 2.682 1.00 0.00 N ATOM 0 H LYS A 58 2.750 -11.179 5.182 1.00 0.00 H new ATOM 0 HA LYS A 58 4.394 -8.891 5.363 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.116 -10.341 3.015 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.292 -9.054 2.833 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.051 -10.345 3.678 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.984 -11.416 4.565 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.828 -12.841 2.820 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.371 -11.551 1.725 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.409 -12.443 0.862 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.831 -10.907 1.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.311 -12.870 2.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.776 -11.963 3.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.053 -13.459 3.092 1.00 0.00 H new ATOM 881 N VAL A 59 1.313 -8.407 4.299 1.00 0.00 N ATOM 882 CA VAL A 59 0.308 -7.382 4.042 1.00 0.00 C ATOM 883 C VAL A 59 0.095 -6.503 5.271 1.00 0.00 C ATOM 884 O VAL A 59 -0.187 -5.311 5.153 1.00 0.00 O ATOM 885 CB VAL A 59 -1.040 -8.005 3.631 1.00 0.00 C ATOM 886 CG1 VAL A 59 -2.024 -6.923 3.209 1.00 0.00 C ATOM 887 CG2 VAL A 59 -0.842 -9.019 2.515 1.00 0.00 C ATOM 0 H VAL A 59 0.964 -9.364 4.243 1.00 0.00 H new ATOM 0 HA VAL A 59 0.682 -6.771 3.220 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.456 -8.525 4.494 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.970 -7.383 2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.191 -6.238 4.041 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.617 -6.372 2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.805 -9.448 2.238 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.402 -8.525 1.648 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.176 -9.811 2.857 1.00 0.00 H new ATOM 897 N ARG A 60 0.232 -7.102 6.450 1.00 0.00 N ATOM 898 CA ARG A 60 0.054 -6.376 7.702 1.00 0.00 C ATOM 899 C ARG A 60 1.212 -5.412 7.941 1.00 0.00 C ATOM 900 O ARG A 60 1.036 -4.351 8.540 1.00 0.00 O ATOM 901 CB ARG A 60 -0.061 -7.354 8.871 1.00 0.00 C ATOM 902 CG ARG A 60 -0.544 -6.709 10.160 1.00 0.00 C ATOM 903 CD ARG A 60 -0.561 -7.705 11.310 1.00 0.00 C ATOM 904 NE ARG A 60 -0.108 -7.102 12.561 1.00 0.00 N ATOM 905 CZ ARG A 60 -0.234 -7.684 13.752 1.00 0.00 C ATOM 906 NH1 ARG A 60 -0.798 -8.881 13.858 1.00 0.00 N ATOM 907 NH2 ARG A 60 0.205 -7.067 14.841 1.00 0.00 N ATOM 0 H ARG A 60 0.466 -8.088 6.564 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.867 -5.798 7.630 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.747 -8.156 8.597 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.912 -7.813 9.047 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.104 -5.870 10.413 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.545 -6.305 10.013 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.571 -8.093 11.439 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.077 -8.554 11.064 1.00 0.00 H new ATOM 0 HE ARG A 60 0.330 -6.182 12.520 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.138 -9.360 13.024 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.892 -9.321 14.773 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.639 -6.147 14.766 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.109 -7.513 15.753 1.00 0.00 H new ATOM 921 N LYS A 61 2.396 -5.789 7.471 1.00 0.00 N ATOM 922 CA LYS A 61 3.584 -4.958 7.636 1.00 0.00 C ATOM 923 C LYS A 61 3.526 -3.737 6.725 1.00 0.00 C ATOM 924 O LYS A 61 3.869 -2.627 7.135 1.00 0.00 O ATOM 925 CB LYS A 61 4.844 -5.772 7.338 1.00 0.00 C ATOM 926 CG LYS A 61 6.135 -5.033 7.655 1.00 0.00 C ATOM 927 CD LYS A 61 6.278 -4.767 9.145 1.00 0.00 C ATOM 928 CE LYS A 61 6.535 -6.050 9.919 1.00 0.00 C ATOM 929 NZ LYS A 61 5.825 -6.061 11.228 1.00 0.00 N ATOM 0 H LYS A 61 2.559 -6.664 6.973 1.00 0.00 H new ATOM 0 HA LYS A 61 3.616 -4.614 8.670 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.814 -6.697 7.914 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.845 -6.052 6.285 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.985 -5.619 7.307 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.156 -4.088 7.113 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.098 -4.069 9.314 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.372 -4.291 9.519 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.212 -6.904 9.324 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.606 -6.165 10.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.026 -6.952 11.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.152 -5.261 11.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.801 -5.977 11.068 1.00 0.00 H new ATOM 943 N ILE A 62 3.089 -3.945 5.486 1.00 0.00 N ATOM 944 CA ILE A 62 2.986 -2.858 4.521 1.00 0.00 C ATOM 945 C ILE A 62 1.942 -1.836 4.958 1.00 0.00 C ATOM 946 O ILE A 62 2.110 -0.634 4.750 1.00 0.00 O ATOM 947 CB ILE A 62 2.623 -3.383 3.117 1.00 0.00 C ATOM 948 CG1 ILE A 62 3.606 -4.474 2.686 1.00 0.00 C ATOM 949 CG2 ILE A 62 2.614 -2.244 2.108 1.00 0.00 C ATOM 950 CD1 ILE A 62 3.147 -5.257 1.475 1.00 0.00 C ATOM 0 H ILE A 62 2.801 -4.856 5.128 1.00 0.00 H new ATOM 0 HA ILE A 62 3.964 -2.379 4.477 1.00 0.00 H new ATOM 0 HB ILE A 62 1.623 -3.814 3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.571 -4.017 2.468 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.759 -5.162 3.517 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.356 -2.633 1.123 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.878 -1.498 2.408 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.602 -1.784 2.069 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.892 -6.013 1.226 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.197 -5.743 1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.021 -4.580 0.630 1.00 0.00 H new ATOM 962 N LEU A 63 0.866 -2.321 5.567 1.00 0.00 N ATOM 963 CA LEU A 63 -0.205 -1.449 6.036 1.00 0.00 C ATOM 964 C LEU A 63 0.269 -0.586 7.200 1.00 0.00 C ATOM 965 O LEU A 63 -0.112 0.578 7.320 1.00 0.00 O ATOM 966 CB LEU A 63 -1.418 -2.278 6.461 1.00 0.00 C ATOM 967 CG LEU A 63 -2.090 -3.069 5.337 1.00 0.00 C ATOM 968 CD1 LEU A 63 -2.840 -4.265 5.900 1.00 0.00 C ATOM 969 CD2 LEU A 63 -3.029 -2.172 4.543 1.00 0.00 C ATOM 0 H LEU A 63 0.712 -3.313 5.748 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.493 -0.794 5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.107 -2.975 7.239 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.156 -1.611 6.906 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.316 -3.437 4.664 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.311 -4.815 5.086 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.142 -4.919 6.423 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.605 -3.920 6.595 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.499 -2.750 3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.798 -1.774 5.205 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.464 -1.348 4.107 1.00 0.00 H new ATOM 981 N ASP A 64 1.105 -1.166 8.056 1.00 0.00 N ATOM 982 CA ASP A 64 1.634 -0.451 9.212 1.00 0.00 C ATOM 983 C ASP A 64 2.540 0.695 8.774 1.00 0.00 C ATOM 984 O ASP A 64 2.508 1.781 9.351 1.00 0.00 O ATOM 985 CB ASP A 64 2.406 -1.409 10.121 1.00 0.00 C ATOM 986 CG ASP A 64 2.343 -0.999 11.579 1.00 0.00 C ATOM 987 OD1 ASP A 64 2.058 0.186 11.851 1.00 0.00 O ATOM 988 OD2 ASP A 64 2.579 -1.864 12.450 1.00 0.00 O ATOM 0 H ASP A 64 1.430 -2.129 7.971 1.00 0.00 H new ATOM 0 HA ASP A 64 0.793 -0.034 9.767 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.001 -2.415 10.011 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.448 -1.448 9.802 1.00 0.00 H new ATOM 993 N LEU A 65 3.348 0.443 7.749 1.00 0.00 N ATOM 994 CA LEU A 65 4.264 1.454 7.232 1.00 0.00 C ATOM 995 C LEU A 65 3.496 2.605 6.591 1.00 0.00 C ATOM 996 O LEU A 65 3.736 3.772 6.900 1.00 0.00 O ATOM 997 CB LEU A 65 5.219 0.832 6.211 1.00 0.00 C ATOM 998 CG LEU A 65 6.214 -0.178 6.788 1.00 0.00 C ATOM 999 CD1 LEU A 65 6.726 -1.106 5.696 1.00 0.00 C ATOM 1000 CD2 LEU A 65 7.371 0.541 7.464 1.00 0.00 C ATOM 0 H LEU A 65 3.387 -0.451 7.260 1.00 0.00 H new ATOM 0 HA LEU A 65 4.842 1.847 8.068 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.630 0.338 5.438 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.777 1.632 5.724 1.00 0.00 H new ATOM 0 HG LEU A 65 5.699 -0.780 7.537 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.432 -1.817 6.124 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.888 -1.647 5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.225 -0.520 4.924 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.069 -0.192 7.869 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.885 1.168 6.736 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.989 1.164 8.273 1.00 0.00 H new ATOM 1012 N VAL A 66 2.573 2.268 5.696 1.00 0.00 N ATOM 1013 CA VAL A 66 1.769 3.275 5.012 1.00 0.00 C ATOM 1014 C VAL A 66 0.981 4.117 6.009 1.00 0.00 C ATOM 1015 O VAL A 66 0.812 5.322 5.821 1.00 0.00 O ATOM 1016 CB VAL A 66 0.788 2.628 4.014 1.00 0.00 C ATOM 1017 CG1 VAL A 66 0.081 3.694 3.190 1.00 0.00 C ATOM 1018 CG2 VAL A 66 1.515 1.641 3.111 1.00 0.00 C ATOM 0 H VAL A 66 2.363 1.307 5.428 1.00 0.00 H new ATOM 0 HA VAL A 66 2.461 3.916 4.465 1.00 0.00 H new ATOM 0 HB VAL A 66 0.034 2.080 4.580 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.607 3.217 2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.476 4.356 3.853 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.819 4.273 2.634 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.806 1.195 2.414 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.293 2.163 2.553 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.968 0.858 3.719 1.00 0.00 H new ATOM 1028 N GLN A 67 0.502 3.476 7.070 1.00 0.00 N ATOM 1029 CA GLN A 67 -0.268 4.167 8.098 1.00 0.00 C ATOM 1030 C GLN A 67 0.624 5.103 8.908 1.00 0.00 C ATOM 1031 O GLN A 67 0.173 6.141 9.393 1.00 0.00 O ATOM 1032 CB GLN A 67 -0.942 3.155 9.025 1.00 0.00 C ATOM 1033 CG GLN A 67 -2.033 2.342 8.349 1.00 0.00 C ATOM 1034 CD GLN A 67 -2.256 0.998 9.015 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -1.384 0.489 9.719 1.00 0.00 O ATOM 1036 NE2 GLN A 67 -3.430 0.416 8.795 1.00 0.00 N ATOM 0 H GLN A 67 0.633 2.479 7.241 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.035 4.763 7.604 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.186 2.476 9.419 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.370 3.684 9.877 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.964 2.909 8.362 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.769 2.186 7.303 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.124 0.874 8.204 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.638 -0.489 9.217 1.00 0.00 H new ATOM 1045 N SER A 68 1.891 4.728 9.050 1.00 0.00 N ATOM 1046 CA SER A 68 2.846 5.534 9.802 1.00 0.00 C ATOM 1047 C SER A 68 3.372 6.687 8.954 1.00 0.00 C ATOM 1048 O SER A 68 3.654 7.770 9.467 1.00 0.00 O ATOM 1049 CB SER A 68 4.011 4.667 10.282 1.00 0.00 C ATOM 1050 OG SER A 68 3.613 3.818 11.344 1.00 0.00 O ATOM 0 H SER A 68 2.280 3.872 8.655 1.00 0.00 H new ATOM 0 HA SER A 68 2.330 5.949 10.668 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.386 4.066 9.454 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.831 5.305 10.611 1.00 0.00 H new ATOM 0 HG SER A 68 3.174 3.021 10.979 1.00 0.00 H new ATOM 1056 N LYS A 69 3.501 6.447 7.653 1.00 0.00 N ATOM 1057 CA LYS A 69 3.992 7.466 6.732 1.00 0.00 C ATOM 1058 C LYS A 69 3.094 8.698 6.753 1.00 0.00 C ATOM 1059 O LYS A 69 3.554 9.810 7.013 1.00 0.00 O ATOM 1060 CB LYS A 69 4.072 6.903 5.312 1.00 0.00 C ATOM 1061 CG LYS A 69 5.243 5.958 5.097 1.00 0.00 C ATOM 1062 CD LYS A 69 5.334 5.504 3.649 1.00 0.00 C ATOM 1063 CE LYS A 69 6.244 4.295 3.499 1.00 0.00 C ATOM 1064 NZ LYS A 69 7.593 4.674 2.995 1.00 0.00 N ATOM 0 H LYS A 69 3.272 5.556 7.213 1.00 0.00 H new ATOM 0 HA LYS A 69 4.990 7.762 7.056 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.145 6.376 5.086 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.149 7.730 4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.170 6.455 5.383 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.134 5.089 5.746 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.338 5.259 3.280 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.709 6.322 3.033 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.344 3.794 4.462 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.788 3.580 2.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.254 3.885 3.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.536 4.890 1.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.933 5.512 3.509 1.00 0.00 H new ATOM 1078 N GLY A 70 1.810 8.493 6.478 1.00 0.00 N ATOM 1079 CA GLY A 70 0.867 9.596 6.470 1.00 0.00 C ATOM 1080 C GLY A 70 -0.124 9.506 5.326 1.00 0.00 C ATOM 1081 O GLY A 70 -0.190 8.491 4.632 1.00 0.00 O ATOM 0 H GLY A 70 1.406 7.582 6.260 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.325 9.613 7.415 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.414 10.536 6.399 1.00 0.00 H new ATOM 1085 N GLU A 71 -0.895 10.570 5.131 1.00 0.00 N ATOM 1086 CA GLU A 71 -1.888 10.608 4.063 1.00 0.00 C ATOM 1087 C GLU A 71 -1.219 10.757 2.700 1.00 0.00 C ATOM 1088 O GLU A 71 -1.752 10.309 1.685 1.00 0.00 O ATOM 1089 CB GLU A 71 -2.869 11.761 4.291 1.00 0.00 C ATOM 1090 CG GLU A 71 -3.922 11.464 5.346 1.00 0.00 C ATOM 1091 CD GLU A 71 -5.283 12.026 4.984 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -5.801 11.677 3.902 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -5.831 12.814 5.783 1.00 0.00 O ATOM 0 H GLU A 71 -0.852 11.417 5.698 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.435 9.665 4.077 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.311 12.649 4.587 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.366 11.996 3.350 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.002 10.385 5.481 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.603 11.882 6.301 1.00 0.00 H new ATOM 1100 N GLU A 72 -0.050 11.389 2.683 1.00 0.00 N ATOM 1101 CA GLU A 72 0.691 11.596 1.444 1.00 0.00 C ATOM 1102 C GLU A 72 0.981 10.269 0.750 1.00 0.00 C ATOM 1103 O GLU A 72 1.068 10.204 -0.475 1.00 0.00 O ATOM 1104 CB GLU A 72 2.002 12.333 1.727 1.00 0.00 C ATOM 1105 CG GLU A 72 2.392 13.320 0.638 1.00 0.00 C ATOM 1106 CD GLU A 72 3.516 12.806 -0.239 1.00 0.00 C ATOM 1107 OE1 GLU A 72 3.587 11.578 -0.454 1.00 0.00 O ATOM 1108 OE2 GLU A 72 4.327 13.631 -0.710 1.00 0.00 O ATOM 0 H GLU A 72 0.405 11.767 3.514 1.00 0.00 H new ATOM 0 HA GLU A 72 0.075 12.203 0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.913 12.866 2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.802 11.602 1.847 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.521 13.534 0.018 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.696 14.261 1.097 1.00 0.00 H new ATOM 1115 N VAL A 73 1.130 9.212 1.543 1.00 0.00 N ATOM 1116 CA VAL A 73 1.410 7.887 1.005 1.00 0.00 C ATOM 1117 C VAL A 73 0.179 6.989 1.083 1.00 0.00 C ATOM 1118 O VAL A 73 -0.006 6.099 0.254 1.00 0.00 O ATOM 1119 CB VAL A 73 2.572 7.210 1.755 1.00 0.00 C ATOM 1120 CG1 VAL A 73 2.981 5.922 1.055 1.00 0.00 C ATOM 1121 CG2 VAL A 73 3.755 8.159 1.876 1.00 0.00 C ATOM 0 H VAL A 73 1.061 9.248 2.560 1.00 0.00 H new ATOM 0 HA VAL A 73 1.691 8.024 -0.039 1.00 0.00 H new ATOM 0 HB VAL A 73 2.234 6.958 2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.803 5.457 1.599 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.133 5.238 1.026 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.300 6.147 0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.566 7.663 2.409 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.096 8.445 0.881 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.452 9.050 2.425 1.00 0.00 H new ATOM 1131 N SER A 74 -0.660 7.229 2.086 1.00 0.00 N ATOM 1132 CA SER A 74 -1.873 6.442 2.273 1.00 0.00 C ATOM 1133 C SER A 74 -2.783 6.543 1.052 1.00 0.00 C ATOM 1134 O SER A 74 -3.428 5.569 0.664 1.00 0.00 O ATOM 1135 CB SER A 74 -2.624 6.909 3.522 1.00 0.00 C ATOM 1136 OG SER A 74 -3.675 6.018 3.850 1.00 0.00 O ATOM 0 H SER A 74 -0.522 7.962 2.781 1.00 0.00 H new ATOM 0 HA SER A 74 -1.581 5.400 2.401 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.931 6.983 4.360 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.029 7.907 3.354 1.00 0.00 H new ATOM 0 HG SER A 74 -3.513 5.150 3.424 1.00 0.00 H new ATOM 1142 N GLU A 75 -2.831 7.727 0.453 1.00 0.00 N ATOM 1143 CA GLU A 75 -3.662 7.956 -0.724 1.00 0.00 C ATOM 1144 C GLU A 75 -3.104 7.221 -1.938 1.00 0.00 C ATOM 1145 O GLU A 75 -3.857 6.690 -2.754 1.00 0.00 O ATOM 1146 CB GLU A 75 -3.760 9.454 -1.020 1.00 0.00 C ATOM 1147 CG GLU A 75 -4.639 9.781 -2.217 1.00 0.00 C ATOM 1148 CD GLU A 75 -5.722 10.790 -1.888 1.00 0.00 C ATOM 1149 OE1 GLU A 75 -5.533 11.576 -0.935 1.00 0.00 O ATOM 1150 OE2 GLU A 75 -6.760 10.795 -2.583 1.00 0.00 O ATOM 0 H GLU A 75 -2.304 8.544 0.763 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.659 7.567 -0.515 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.153 9.965 -0.141 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.759 9.847 -1.196 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.018 10.171 -3.023 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.101 8.865 -2.585 1.00 0.00 H new ATOM 1157 N PHE A 76 -1.779 7.194 -2.049 1.00 0.00 N ATOM 1158 CA PHE A 76 -1.120 6.524 -3.164 1.00 0.00 C ATOM 1159 C PHE A 76 -1.267 5.010 -3.051 1.00 0.00 C ATOM 1160 O PHE A 76 -1.606 4.335 -4.023 1.00 0.00 O ATOM 1161 CB PHE A 76 0.361 6.903 -3.209 1.00 0.00 C ATOM 1162 CG PHE A 76 1.035 6.540 -4.502 1.00 0.00 C ATOM 1163 CD1 PHE A 76 0.967 7.388 -5.597 1.00 0.00 C ATOM 1164 CD2 PHE A 76 1.736 5.351 -4.623 1.00 0.00 C ATOM 1165 CE1 PHE A 76 1.585 7.057 -6.786 1.00 0.00 C ATOM 1166 CE2 PHE A 76 2.357 5.015 -5.811 1.00 0.00 C ATOM 1167 CZ PHE A 76 2.281 5.869 -6.894 1.00 0.00 C ATOM 0 H PHE A 76 -1.142 7.628 -1.381 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.599 6.850 -4.087 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.458 7.977 -3.047 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.879 6.409 -2.387 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.424 8.318 -5.519 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.798 4.679 -3.780 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.524 7.727 -7.631 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.901 4.086 -5.893 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.765 5.608 -7.824 1.00 0.00 H new ATOM 1177 N PHE A 77 -1.007 4.483 -1.859 1.00 0.00 N ATOM 1178 CA PHE A 77 -1.110 3.048 -1.619 1.00 0.00 C ATOM 1179 C PHE A 77 -2.528 2.551 -1.885 1.00 0.00 C ATOM 1180 O PHE A 77 -2.722 1.463 -2.427 1.00 0.00 O ATOM 1181 CB PHE A 77 -0.704 2.720 -0.181 1.00 0.00 C ATOM 1182 CG PHE A 77 -0.699 1.248 0.119 1.00 0.00 C ATOM 1183 CD1 PHE A 77 0.314 0.434 -0.362 1.00 0.00 C ATOM 1184 CD2 PHE A 77 -1.705 0.679 0.881 1.00 0.00 C ATOM 1185 CE1 PHE A 77 0.323 -0.921 -0.088 1.00 0.00 C ATOM 1186 CE2 PHE A 77 -1.702 -0.675 1.158 1.00 0.00 C ATOM 1187 CZ PHE A 77 -0.686 -1.476 0.673 1.00 0.00 C ATOM 0 H PHE A 77 -0.724 5.028 -1.045 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.432 2.541 -2.306 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.290 3.125 0.009 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.388 3.220 0.504 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.106 0.863 -0.958 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.501 1.300 1.263 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.118 -1.544 -0.469 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.493 -1.107 1.753 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.681 -2.534 0.889 1.00 0.00 H new ATOM 1197 N LEU A 78 -3.513 3.354 -1.500 1.00 0.00 N ATOM 1198 CA LEU A 78 -4.913 2.995 -1.696 1.00 0.00 C ATOM 1199 C LEU A 78 -5.311 3.135 -3.162 1.00 0.00 C ATOM 1200 O LEU A 78 -6.168 2.402 -3.656 1.00 0.00 O ATOM 1201 CB LEU A 78 -5.813 3.873 -0.825 1.00 0.00 C ATOM 1202 CG LEU A 78 -6.015 3.374 0.606 1.00 0.00 C ATOM 1203 CD1 LEU A 78 -6.292 4.539 1.544 1.00 0.00 C ATOM 1204 CD2 LEU A 78 -7.148 2.360 0.662 1.00 0.00 C ATOM 0 H LEU A 78 -3.368 4.258 -1.050 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.039 1.953 -1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.389 4.876 -0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.788 3.957 -1.305 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.098 2.883 0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.433 4.164 2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.448 5.229 1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.193 5.060 1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.278 2.016 1.688 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.071 2.826 0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.908 1.511 0.022 1.00 0.00 H new ATOM 1216 N TYR A 79 -4.683 4.080 -3.852 1.00 0.00 N ATOM 1217 CA TYR A 79 -4.970 4.316 -5.262 1.00 0.00 C ATOM 1218 C TYR A 79 -4.660 3.078 -6.097 1.00 0.00 C ATOM 1219 O TYR A 79 -5.381 2.755 -7.040 1.00 0.00 O ATOM 1220 CB TYR A 79 -4.161 5.508 -5.777 1.00 0.00 C ATOM 1221 CG TYR A 79 -4.803 6.216 -6.948 1.00 0.00 C ATOM 1222 CD1 TYR A 79 -5.882 7.071 -6.763 1.00 0.00 C ATOM 1223 CD2 TYR A 79 -4.329 6.029 -8.242 1.00 0.00 C ATOM 1224 CE1 TYR A 79 -6.471 7.720 -7.831 1.00 0.00 C ATOM 1225 CE2 TYR A 79 -4.913 6.674 -9.315 1.00 0.00 C ATOM 1226 CZ TYR A 79 -5.982 7.518 -9.105 1.00 0.00 C ATOM 1227 OH TYR A 79 -6.566 8.162 -10.172 1.00 0.00 O ATOM 0 H TYR A 79 -3.971 4.695 -3.458 1.00 0.00 H new ATOM 0 HA TYR A 79 -6.033 4.538 -5.357 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.023 6.221 -4.964 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.170 5.163 -6.071 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.267 7.231 -5.767 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -3.491 5.369 -8.411 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -7.309 8.382 -7.669 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -4.534 6.518 -10.314 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.102 7.912 -10.998 1.00 0.00 H new ATOM 1237 N LEU A 80 -3.580 2.388 -5.742 1.00 0.00 N ATOM 1238 CA LEU A 80 -3.173 1.184 -6.458 1.00 0.00 C ATOM 1239 C LEU A 80 -4.243 0.102 -6.357 1.00 0.00 C ATOM 1240 O LEU A 80 -4.471 -0.649 -7.306 1.00 0.00 O ATOM 1241 CB LEU A 80 -1.847 0.661 -5.905 1.00 0.00 C ATOM 1242 CG LEU A 80 -0.642 1.575 -6.137 1.00 0.00 C ATOM 1243 CD1 LEU A 80 0.426 1.328 -5.083 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -0.076 1.363 -7.533 1.00 0.00 C ATOM 0 H LEU A 80 -2.972 2.642 -4.964 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.043 1.443 -7.509 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.958 0.496 -4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.640 -0.309 -6.357 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.972 2.610 -6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.275 1.987 -5.264 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.015 1.530 -4.094 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.755 0.290 -5.134 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.780 2.021 -7.682 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.239 0.326 -7.644 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.842 1.591 -8.275 1.00 0.00 H new ATOM 1256 N LEU A 81 -4.894 0.027 -5.201 1.00 0.00 N ATOM 1257 CA LEU A 81 -5.939 -0.965 -4.975 1.00 0.00 C ATOM 1258 C LEU A 81 -7.073 -0.802 -5.983 1.00 0.00 C ATOM 1259 O LEU A 81 -7.731 -1.774 -6.355 1.00 0.00 O ATOM 1260 CB LEU A 81 -6.486 -0.845 -3.551 1.00 0.00 C ATOM 1261 CG LEU A 81 -5.592 -1.438 -2.462 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -6.222 -1.248 -1.092 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -5.332 -2.912 -2.732 1.00 0.00 C ATOM 0 H LEU A 81 -4.716 0.641 -4.406 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.500 -1.954 -5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.652 0.209 -3.329 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.458 -1.336 -3.509 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.637 -0.912 -2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.571 -1.676 -0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.357 -0.184 -0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.191 -1.747 -1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.694 -3.319 -1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.279 -3.452 -2.746 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.837 -3.023 -3.697 1.00 0.00 H new ATOM 1275 N GLN A 82 -7.297 0.432 -6.421 1.00 0.00 N ATOM 1276 CA GLN A 82 -8.352 0.721 -7.386 1.00 0.00 C ATOM 1277 C GLN A 82 -7.916 0.347 -8.799 1.00 0.00 C ATOM 1278 O GLN A 82 -8.619 -0.377 -9.506 1.00 0.00 O ATOM 1279 CB GLN A 82 -8.730 2.203 -7.329 1.00 0.00 C ATOM 1280 CG GLN A 82 -10.229 2.450 -7.371 1.00 0.00 C ATOM 1281 CD GLN A 82 -10.705 2.926 -8.730 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -11.317 2.172 -9.485 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -10.424 4.185 -9.046 1.00 0.00 N ATOM 0 H GLN A 82 -6.762 1.248 -6.123 1.00 0.00 H new ATOM 0 HA GLN A 82 -9.224 0.121 -7.126 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.324 2.638 -6.416 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.261 2.722 -8.165 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.752 1.530 -7.109 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.492 3.192 -6.618 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -9.914 4.774 -8.388 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -10.718 4.563 -9.947 1.00 0.00 H new ATOM 1292 N GLN A 83 -6.753 0.844 -9.206 1.00 0.00 N ATOM 1293 CA GLN A 83 -6.223 0.563 -10.535 1.00 0.00 C ATOM 1294 C GLN A 83 -5.938 -0.927 -10.704 1.00 0.00 C ATOM 1295 O GLN A 83 -6.045 -1.468 -11.805 1.00 0.00 O ATOM 1296 CB GLN A 83 -4.946 1.368 -10.779 1.00 0.00 C ATOM 1297 CG GLN A 83 -5.199 2.751 -11.356 1.00 0.00 C ATOM 1298 CD GLN A 83 -3.975 3.329 -12.040 1.00 0.00 C ATOM 1299 OE1 GLN A 83 -3.981 3.569 -13.248 1.00 0.00 O ATOM 1300 NE2 GLN A 83 -2.918 3.554 -11.270 1.00 0.00 N ATOM 0 H GLN A 83 -6.159 1.444 -8.634 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.975 0.857 -11.267 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.405 1.469 -9.838 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.301 0.812 -11.459 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.020 2.698 -12.071 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -5.515 3.422 -10.557 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -2.958 3.340 -10.274 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.065 3.941 -11.675 1.00 0.00 H new ATOM 1309 N LEU A 84 -5.575 -1.582 -9.607 1.00 0.00 N ATOM 1310 CA LEU A 84 -5.272 -3.009 -9.634 1.00 0.00 C ATOM 1311 C LEU A 84 -6.537 -3.844 -9.444 1.00 0.00 C ATOM 1312 O LEU A 84 -6.588 -5.008 -9.837 1.00 0.00 O ATOM 1313 CB LEU A 84 -4.253 -3.355 -8.547 1.00 0.00 C ATOM 1314 CG LEU A 84 -2.893 -2.672 -8.695 1.00 0.00 C ATOM 1315 CD1 LEU A 84 -2.008 -2.979 -7.497 1.00 0.00 C ATOM 1316 CD2 LEU A 84 -2.215 -3.109 -9.985 1.00 0.00 C ATOM 0 H LEU A 84 -5.483 -1.148 -8.688 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.849 -3.244 -10.611 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.673 -3.087 -7.578 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.102 -4.434 -8.542 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.052 -1.594 -8.737 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.044 -2.484 -7.620 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.488 -2.617 -6.588 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.856 -4.056 -7.423 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.248 -2.613 -10.074 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.069 -4.189 -9.971 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.841 -2.838 -10.835 1.00 0.00 H new ATOM 1328 N ALA A 85 -7.558 -3.242 -8.836 1.00 0.00 N ATOM 1329 CA ALA A 85 -8.820 -3.932 -8.592 1.00 0.00 C ATOM 1330 C ALA A 85 -9.360 -4.571 -9.869 1.00 0.00 C ATOM 1331 O ALA A 85 -10.049 -5.591 -9.820 1.00 0.00 O ATOM 1332 CB ALA A 85 -9.843 -2.968 -8.010 1.00 0.00 C ATOM 0 H ALA A 85 -7.534 -2.278 -8.504 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.633 -4.729 -7.872 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.780 -3.495 -7.833 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.469 -2.566 -7.068 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -10.013 -2.151 -8.711 1.00 0.00 H new ATOM 1338 N ASP A 86 -9.044 -3.966 -11.009 1.00 0.00 N ATOM 1339 CA ASP A 86 -9.500 -4.479 -12.296 1.00 0.00 C ATOM 1340 C ASP A 86 -8.903 -5.855 -12.575 1.00 0.00 C ATOM 1341 O ASP A 86 -9.518 -6.684 -13.246 1.00 0.00 O ATOM 1342 CB ASP A 86 -9.122 -3.509 -13.417 1.00 0.00 C ATOM 1343 CG ASP A 86 -10.217 -3.374 -14.457 1.00 0.00 C ATOM 1344 OD1 ASP A 86 -11.370 -3.083 -14.072 1.00 0.00 O ATOM 1345 OD2 ASP A 86 -9.923 -3.557 -15.657 1.00 0.00 O ATOM 0 H ASP A 86 -8.475 -3.121 -11.068 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.585 -4.575 -12.258 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.908 -2.529 -12.990 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.207 -3.854 -13.899 1.00 0.00 H new ATOM 1350 N ALA A 87 -7.703 -6.092 -12.055 1.00 0.00 N ATOM 1351 CA ALA A 87 -7.025 -7.368 -12.247 1.00 0.00 C ATOM 1352 C ALA A 87 -7.402 -8.359 -11.152 1.00 0.00 C ATOM 1353 O ALA A 87 -7.519 -9.559 -11.401 1.00 0.00 O ATOM 1354 CB ALA A 87 -5.518 -7.164 -12.281 1.00 0.00 C ATOM 0 H ALA A 87 -7.180 -5.417 -11.497 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.346 -7.783 -13.202 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.024 -8.125 -12.425 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.260 -6.496 -13.103 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.189 -6.724 -11.339 1.00 0.00 H new ATOM 1360 N TYR A 88 -7.592 -7.850 -9.940 1.00 0.00 N ATOM 1361 CA TYR A 88 -7.956 -8.690 -8.806 1.00 0.00 C ATOM 1362 C TYR A 88 -9.441 -9.041 -8.843 1.00 0.00 C ATOM 1363 O TYR A 88 -10.226 -8.388 -9.531 1.00 0.00 O ATOM 1364 CB TYR A 88 -7.621 -7.983 -7.491 1.00 0.00 C ATOM 1365 CG TYR A 88 -6.138 -7.913 -7.202 1.00 0.00 C ATOM 1366 CD1 TYR A 88 -5.264 -7.305 -8.094 1.00 0.00 C ATOM 1367 CD2 TYR A 88 -5.612 -8.455 -6.036 1.00 0.00 C ATOM 1368 CE1 TYR A 88 -3.909 -7.239 -7.833 1.00 0.00 C ATOM 1369 CE2 TYR A 88 -4.259 -8.393 -5.766 1.00 0.00 C ATOM 1370 CZ TYR A 88 -3.411 -7.784 -6.668 1.00 0.00 C ATOM 1371 OH TYR A 88 -2.062 -7.720 -6.405 1.00 0.00 O ATOM 0 H TYR A 88 -7.500 -6.859 -9.718 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.380 -9.613 -8.871 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.025 -6.971 -7.519 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.118 -8.503 -6.672 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.650 -6.877 -9.007 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.273 -8.933 -5.328 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.243 -6.763 -8.538 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -3.867 -8.819 -4.854 1.00 0.00 H new ATOM 0 HH TYR A 88 -1.919 -7.686 -5.436 1.00 0.00 H new ATOM 1381 N VAL A 89 -9.818 -10.075 -8.099 1.00 0.00 N ATOM 1382 CA VAL A 89 -11.208 -10.512 -8.047 1.00 0.00 C ATOM 1383 C VAL A 89 -11.819 -10.238 -6.676 1.00 0.00 C ATOM 1384 O VAL A 89 -12.976 -9.829 -6.573 1.00 0.00 O ATOM 1385 CB VAL A 89 -11.339 -12.014 -8.363 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -10.937 -12.294 -9.802 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -10.501 -12.837 -7.396 1.00 0.00 C ATOM 0 H VAL A 89 -9.181 -10.626 -7.524 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.746 -9.942 -8.804 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.383 -12.304 -8.240 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.036 -13.360 -10.007 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.584 -11.733 -10.476 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.902 -11.990 -9.956 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.606 -13.896 -7.634 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.454 -12.547 -7.484 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.842 -12.659 -6.376 1.00 0.00 H new ATOM 1397 N ASP A 90 -11.035 -10.464 -5.627 1.00 0.00 N ATOM 1398 CA ASP A 90 -11.500 -10.240 -4.264 1.00 0.00 C ATOM 1399 C ASP A 90 -11.693 -8.751 -3.994 1.00 0.00 C ATOM 1400 O ASP A 90 -12.689 -8.342 -3.397 1.00 0.00 O ATOM 1401 CB ASP A 90 -10.505 -10.827 -3.260 1.00 0.00 C ATOM 1402 CG ASP A 90 -10.826 -12.265 -2.904 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -11.895 -12.505 -2.305 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -10.007 -13.152 -3.224 1.00 0.00 O ATOM 0 H ASP A 90 -10.075 -10.802 -5.695 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.461 -10.741 -4.147 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.499 -10.774 -3.676 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.507 -10.222 -2.354 1.00 0.00 H new ATOM 1409 N LEU A 91 -10.735 -7.946 -4.439 1.00 0.00 N ATOM 1410 CA LEU A 91 -10.801 -6.502 -4.247 1.00 0.00 C ATOM 1411 C LEU A 91 -11.699 -5.855 -5.296 1.00 0.00 C ATOM 1412 O LEU A 91 -11.377 -5.846 -6.484 1.00 0.00 O ATOM 1413 CB LEU A 91 -9.399 -5.892 -4.314 1.00 0.00 C ATOM 1414 CG LEU A 91 -8.464 -6.294 -3.173 1.00 0.00 C ATOM 1415 CD1 LEU A 91 -7.015 -6.270 -3.635 1.00 0.00 C ATOM 1416 CD2 LEU A 91 -8.659 -5.375 -1.977 1.00 0.00 C ATOM 0 H LEU A 91 -9.904 -8.268 -4.935 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.226 -6.311 -3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.939 -6.180 -5.259 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.492 -4.806 -4.322 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.709 -7.312 -2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.365 -6.559 -2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.885 -6.969 -4.461 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.755 -5.265 -3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.986 -5.675 -1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.441 -4.348 -2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.690 -5.443 -1.630 1.00 0.00 H new ATOM 1428 N ARG A 92 -12.828 -5.313 -4.848 1.00 0.00 N ATOM 1429 CA ARG A 92 -13.777 -4.663 -5.745 1.00 0.00 C ATOM 1430 C ARG A 92 -14.994 -4.145 -4.974 1.00 0.00 C ATOM 1431 O ARG A 92 -15.285 -2.950 -4.999 1.00 0.00 O ATOM 1432 CB ARG A 92 -14.212 -5.626 -6.858 1.00 0.00 C ATOM 1433 CG ARG A 92 -15.355 -5.104 -7.714 1.00 0.00 C ATOM 1434 CD ARG A 92 -15.879 -6.175 -8.657 1.00 0.00 C ATOM 1435 NE ARG A 92 -14.858 -6.618 -9.605 1.00 0.00 N ATOM 1436 CZ ARG A 92 -14.523 -5.943 -10.702 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -15.124 -4.797 -10.996 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -13.584 -6.417 -11.510 1.00 0.00 N ATOM 0 H ARG A 92 -13.108 -5.311 -3.867 1.00 0.00 H new ATOM 0 HA ARG A 92 -13.279 -3.808 -6.203 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.356 -5.834 -7.500 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.511 -6.573 -6.409 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -16.164 -4.757 -7.071 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -15.015 -4.244 -8.291 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -16.230 -7.029 -8.077 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -16.738 -5.787 -9.204 1.00 0.00 H new ATOM 0 HE ARG A 92 -14.374 -7.496 -9.415 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -15.848 -4.428 -10.379 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.862 -4.285 -11.838 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.119 -7.298 -11.290 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.327 -5.900 -12.351 1.00 0.00 H new ATOM 1452 N PRO A 93 -15.728 -5.035 -4.276 1.00 0.00 N ATOM 1453 CA PRO A 93 -16.912 -4.640 -3.504 1.00 0.00 C ATOM 1454 C PRO A 93 -16.570 -3.685 -2.365 1.00 0.00 C ATOM 1455 O PRO A 93 -17.402 -2.881 -1.945 1.00 0.00 O ATOM 1456 CB PRO A 93 -17.445 -5.965 -2.948 1.00 0.00 C ATOM 1457 CG PRO A 93 -16.281 -6.893 -2.985 1.00 0.00 C ATOM 1458 CD PRO A 93 -15.469 -6.484 -4.179 1.00 0.00 C ATOM 0 HA PRO A 93 -17.634 -4.104 -4.120 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -17.822 -5.844 -1.932 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.271 -6.343 -3.551 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.694 -6.820 -2.070 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -16.609 -7.929 -3.072 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -14.409 -6.696 -4.038 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -15.782 -7.011 -5.080 1.00 0.00 H new ATOM 1466 N TRP A 94 -15.339 -3.777 -1.871 1.00 0.00 N ATOM 1467 CA TRP A 94 -14.888 -2.919 -0.781 1.00 0.00 C ATOM 1468 C TRP A 94 -14.692 -1.485 -1.264 1.00 0.00 C ATOM 1469 O TRP A 94 -15.183 -0.540 -0.648 1.00 0.00 O ATOM 1470 CB TRP A 94 -13.583 -3.454 -0.188 1.00 0.00 C ATOM 1471 CG TRP A 94 -13.087 -2.653 0.977 1.00 0.00 C ATOM 1472 CD1 TRP A 94 -13.742 -2.426 2.154 1.00 0.00 C ATOM 1473 CD2 TRP A 94 -11.831 -1.971 1.077 1.00 0.00 C ATOM 1474 NE1 TRP A 94 -12.970 -1.645 2.979 1.00 0.00 N ATOM 1475 CE2 TRP A 94 -11.793 -1.353 2.341 1.00 0.00 C ATOM 1476 CE3 TRP A 94 -10.736 -1.825 0.222 1.00 0.00 C ATOM 1477 CZ2 TRP A 94 -10.702 -0.601 2.769 1.00 0.00 C ATOM 1478 CZ3 TRP A 94 -9.654 -1.078 0.648 1.00 0.00 C ATOM 1479 CH2 TRP A 94 -9.643 -0.474 1.912 1.00 0.00 C ATOM 0 H TRP A 94 -14.637 -4.436 -2.208 1.00 0.00 H new ATOM 0 HA TRP A 94 -15.656 -2.921 -0.008 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -13.732 -4.487 0.128 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -12.818 -3.465 -0.964 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -14.723 -2.805 2.400 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -13.231 -1.333 3.915 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.735 -2.287 -0.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -10.692 -0.134 3.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -8.802 -0.958 -0.005 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -8.782 0.103 2.216 1.00 0.00 H new ATOM 1490 N LEU A 95 -13.968 -1.332 -2.368 1.00 0.00 N ATOM 1491 CA LEU A 95 -13.706 -0.013 -2.933 1.00 0.00 C ATOM 1492 C LEU A 95 -15.007 0.675 -3.335 1.00 0.00 C ATOM 1493 O LEU A 95 -15.203 1.860 -3.068 1.00 0.00 O ATOM 1494 CB LEU A 95 -12.781 -0.129 -4.145 1.00 0.00 C ATOM 1495 CG LEU A 95 -11.299 -0.311 -3.814 1.00 0.00 C ATOM 1496 CD1 LEU A 95 -10.625 -1.197 -4.851 1.00 0.00 C ATOM 1497 CD2 LEU A 95 -10.603 1.039 -3.730 1.00 0.00 C ATOM 0 H LEU A 95 -13.553 -2.104 -2.889 1.00 0.00 H new ATOM 0 HA LEU A 95 -13.218 0.592 -2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.108 -0.973 -4.753 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -12.894 0.767 -4.756 1.00 0.00 H new ATOM 0 HG LEU A 95 -11.220 -0.800 -2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -9.571 -1.315 -4.599 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -11.107 -2.175 -4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -10.713 -0.737 -5.835 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -9.549 0.891 -3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.692 1.554 -4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.069 1.641 -2.949 1.00 0.00 H new ATOM 1509 N LEU A 96 -15.893 -0.078 -3.981 1.00 0.00 N ATOM 1510 CA LEU A 96 -17.175 0.458 -4.421 1.00 0.00 C ATOM 1511 C LEU A 96 -17.985 0.977 -3.237 1.00 0.00 C ATOM 1512 O LEU A 96 -18.776 1.909 -3.374 1.00 0.00 O ATOM 1513 CB LEU A 96 -17.970 -0.614 -5.168 1.00 0.00 C ATOM 1514 CG LEU A 96 -17.278 -1.190 -6.404 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -17.839 -2.564 -6.738 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -17.432 -0.247 -7.588 1.00 0.00 C ATOM 0 H LEU A 96 -15.746 -1.061 -4.211 1.00 0.00 H new ATOM 0 HA LEU A 96 -16.979 1.291 -5.096 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -18.187 -1.430 -4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -18.927 -0.190 -5.471 1.00 0.00 H new ATOM 0 HG LEU A 96 -16.215 -1.297 -6.186 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.335 -2.958 -7.620 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -17.677 -3.237 -5.896 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -18.908 -2.482 -6.937 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -16.934 -0.672 -8.459 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -18.491 -0.108 -7.807 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -16.982 0.716 -7.347 1.00 0.00 H new ATOM 1528 N GLU A 97 -17.782 0.365 -2.074 1.00 0.00 N ATOM 1529 CA GLU A 97 -18.495 0.766 -0.866 1.00 0.00 C ATOM 1530 C GLU A 97 -18.034 2.142 -0.395 1.00 0.00 C ATOM 1531 O GLU A 97 -18.799 3.106 -0.424 1.00 0.00 O ATOM 1532 CB GLU A 97 -18.278 -0.265 0.244 1.00 0.00 C ATOM 1533 CG GLU A 97 -19.166 -0.047 1.458 1.00 0.00 C ATOM 1534 CD GLU A 97 -20.528 -0.698 1.308 1.00 0.00 C ATOM 1535 OE1 GLU A 97 -21.208 -0.426 0.296 1.00 0.00 O ATOM 1536 OE2 GLU A 97 -20.914 -1.480 2.202 1.00 0.00 O ATOM 0 H GLU A 97 -17.131 -0.409 -1.943 1.00 0.00 H new ATOM 0 HA GLU A 97 -19.558 0.819 -1.101 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -18.462 -1.262 -0.156 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -17.234 -0.235 0.557 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -18.671 -0.448 2.342 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -19.295 1.023 1.622 1.00 0.00 H new ATOM 1543 N ILE A 98 -16.781 2.225 0.040 1.00 0.00 N ATOM 1544 CA ILE A 98 -16.219 3.483 0.517 1.00 0.00 C ATOM 1545 C ILE A 98 -16.257 4.549 -0.573 1.00 0.00 C ATOM 1546 O ILE A 98 -16.447 5.733 -0.291 1.00 0.00 O ATOM 1547 CB ILE A 98 -14.766 3.303 0.993 1.00 0.00 C ATOM 1548 CG1 ILE A 98 -13.925 2.644 -0.100 1.00 0.00 C ATOM 1549 CG2 ILE A 98 -14.726 2.479 2.272 1.00 0.00 C ATOM 1550 CD1 ILE A 98 -12.441 2.640 0.199 1.00 0.00 C ATOM 0 H ILE A 98 -16.136 1.436 0.072 1.00 0.00 H new ATOM 0 HA ILE A 98 -16.832 3.806 1.359 1.00 0.00 H new ATOM 0 HB ILE A 98 -14.344 4.286 1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -14.263 1.617 -0.237 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -14.096 3.164 -1.042 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -13.692 2.360 2.596 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.294 2.988 3.051 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -15.163 1.498 2.086 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.906 2.157 -0.619 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -12.089 3.666 0.307 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -12.258 2.094 1.125 1.00 0.00 H new ATOM 1562 N GLY A 99 -16.073 4.122 -1.818 1.00 0.00 N ATOM 1563 CA GLY A 99 -16.089 5.053 -2.931 1.00 0.00 C ATOM 1564 C GLY A 99 -14.729 5.670 -3.191 1.00 0.00 C ATOM 1565 O GLY A 99 -14.561 6.886 -3.089 1.00 0.00 O ATOM 0 H GLY A 99 -15.913 3.148 -2.076 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.427 4.535 -3.829 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -16.811 5.844 -2.728 1.00 0.00 H new ATOM 1569 N PHE A 100 -13.755 4.832 -3.526 1.00 0.00 N ATOM 1570 CA PHE A 100 -12.402 5.301 -3.802 1.00 0.00 C ATOM 1571 C PHE A 100 -12.168 5.437 -5.303 1.00 0.00 C ATOM 1572 O PHE A 100 -11.066 5.195 -5.795 1.00 0.00 O ATOM 1573 CB PHE A 100 -11.375 4.341 -3.199 1.00 0.00 C ATOM 1574 CG PHE A 100 -10.169 5.032 -2.627 1.00 0.00 C ATOM 1575 CD1 PHE A 100 -9.147 5.466 -3.455 1.00 0.00 C ATOM 1576 CD2 PHE A 100 -10.060 5.247 -1.263 1.00 0.00 C ATOM 1577 CE1 PHE A 100 -8.036 6.101 -2.931 1.00 0.00 C ATOM 1578 CE2 PHE A 100 -8.953 5.882 -0.734 1.00 0.00 C ATOM 1579 CZ PHE A 100 -7.939 6.310 -1.569 1.00 0.00 C ATOM 0 H PHE A 100 -13.877 3.823 -3.613 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.284 6.283 -3.344 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -11.854 3.756 -2.414 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -11.051 3.639 -3.967 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -9.219 5.307 -4.521 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -10.850 4.914 -0.605 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -7.244 6.433 -3.586 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -8.880 6.044 0.331 1.00 0.00 H new ATOM 0 HZ PHE A 100 -7.073 6.807 -1.158 1.00 0.00 H new