USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 807 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 83 CYS SG : rot 170:sc= -0.0562 USER MOD Set 1.2: A 84 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 53 HIS : no HE2:sc= -0.117 K(o=0.83,f=-0.47) USER MOD Set 2.2: A 55 ASN : amide:sc= 0.948 K(o=0.83,f=-0.47) USER MOD Set 3.1: A 34 SER OG : rot -80:sc= 0.642 USER MOD Set 3.2: A 35 GLN : amide:sc= 0.38 X(o=1,f=0.88) USER MOD Set 4.1: A 20 LYS NZ :NH3+ -164:sc= 1.25 (180deg=-0.00459) USER MOD Set 4.2: A 22 THR OG1 : rot 50:sc= 1.43 USER MOD Set 4.3: A 23 CYS SG : rot 86:sc= 1.47 USER MOD Set 4.4: A 26 CYS SG : rot 60:sc= 0.484 USER MOD Set 5.1: A 11 GLN : amide:sc= 0.356 K(o=0.54,f=-1.3) USER MOD Set 5.2: A 14 LYS NZ :NH3+ 170:sc= 0.185 (180deg=0) USER MOD Set 6.1: A 7 ASN :FLIP amide:sc= 0.215 F(o=-0.58,f=0.45) USER MOD Set 6.2: A 60 TYR OH : rot -175:sc= 0.232 USER MOD Single : A 8 CYS SG : rot -34:sc= 0.0067 USER MOD Single : A 9 LYS NZ :NH3+ -163:sc=-0.00995 (180deg=-0.208) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 39 LYS NZ :NH3+ 157:sc= -0.0594 (180deg=-0.817) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 49 THR OG1 : rot -32:sc= 1.23 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.202 K(o=0.2,f=-2) USER MOD Single : A 62 GLN : amide:sc= -0.174! X(o=-0.17!,f=-0.023) USER MOD Single : A 63 GLN : amide:sc= -0.0128 X(o=-0.013,f=-0.19) USER MOD Single : A 65 THR OG1 : rot -60:sc= 1.96 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0209 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 22:sc= 0.712 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.502 X(o=-0.5,f=-0.023) USER MOD Single : A 91 GLN : amide:sc= -0.012 X(o=-0.012,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 149:sc= 1.24 (180deg=0.699) USER MOD Single : A 101 GLN : amide:sc= -0.0186 X(o=-0.019,f=-0.33) USER MOD Single : A 106 GLN : amide:sc= 0.817 K(o=0.82,f=0) USER MOD ----------------------------------------------------------------- ATOM 45 N PHE A 5 0.191 10.370 -10.438 1.00 0.00 N ATOM 46 CA PHE A 5 1.294 9.602 -9.864 1.00 0.00 C ATOM 47 C PHE A 5 0.740 8.386 -9.116 1.00 0.00 C ATOM 48 O PHE A 5 1.019 7.252 -9.500 1.00 0.00 O ATOM 49 CB PHE A 5 2.238 10.447 -9.001 1.00 0.00 C ATOM 50 CG PHE A 5 3.605 9.792 -8.868 1.00 0.00 C ATOM 51 CD1 PHE A 5 3.777 8.626 -8.094 1.00 0.00 C ATOM 52 CD2 PHE A 5 4.708 10.324 -9.562 1.00 0.00 C ATOM 53 CE1 PHE A 5 5.038 8.009 -8.012 1.00 0.00 C ATOM 54 CE2 PHE A 5 5.970 9.711 -9.472 1.00 0.00 C ATOM 55 CZ PHE A 5 6.136 8.550 -8.699 1.00 0.00 C ATOM 0 HA PHE A 5 1.918 9.250 -10.685 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.349 11.437 -9.443 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.802 10.586 -8.012 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.937 8.205 -7.562 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.584 11.209 -10.168 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.162 7.115 -7.418 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.813 10.133 -9.998 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.104 8.076 -8.634 1.00 0.00 H new ATOM 65 N VAL A 6 -0.128 8.610 -8.126 1.00 0.00 N ATOM 66 CA VAL A 6 -0.810 7.532 -7.412 1.00 0.00 C ATOM 67 C VAL A 6 -1.712 6.777 -8.394 1.00 0.00 C ATOM 68 O VAL A 6 -1.691 5.548 -8.457 1.00 0.00 O ATOM 69 CB VAL A 6 -1.617 8.144 -6.241 1.00 0.00 C ATOM 70 CG1 VAL A 6 -2.730 7.245 -5.678 1.00 0.00 C ATOM 71 CG2 VAL A 6 -0.698 8.528 -5.077 1.00 0.00 C ATOM 0 H VAL A 6 -0.376 9.544 -7.798 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.095 6.821 -6.998 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.093 9.019 -6.684 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.237 7.761 -4.863 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.448 7.018 -6.466 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.295 6.318 -5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.293 8.955 -4.269 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.179 7.640 -4.715 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.032 9.262 -5.417 1.00 0.00 H new ATOM 81 N ASN A 7 -2.511 7.524 -9.157 1.00 0.00 N ATOM 82 CA ASN A 7 -3.637 7.004 -9.928 1.00 0.00 C ATOM 83 C ASN A 7 -3.186 6.115 -11.097 1.00 0.00 C ATOM 84 O ASN A 7 -3.996 5.356 -11.628 1.00 0.00 O ATOM 85 CB ASN A 7 -4.473 8.209 -10.401 1.00 0.00 C ATOM 86 CG ASN A 7 -5.972 7.996 -10.578 1.00 0.00 C ATOM 87 OD1 ASN A 7 -6.628 7.154 -9.800 1.00 0.00 O flip ATOM 88 ND2 ASN A 7 -6.609 8.702 -11.347 1.00 0.00 N flip ATOM 0 H ASN A 7 -2.389 8.532 -9.257 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.245 6.353 -9.300 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.330 9.020 -9.686 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.066 8.548 -11.354 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.123 9.359 -11.957 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.626 8.633 -11.378 1.00 0.00 H new ATOM 95 N CYS A 8 -1.909 6.177 -11.488 1.00 0.00 N ATOM 96 CA CYS A 8 -1.284 5.334 -12.498 1.00 0.00 C ATOM 97 C CYS A 8 -0.400 4.249 -11.866 1.00 0.00 C ATOM 98 O CYS A 8 -0.208 3.200 -12.478 1.00 0.00 O ATOM 99 CB CYS A 8 -0.460 6.211 -13.447 1.00 0.00 C ATOM 100 SG CYS A 8 -0.065 5.286 -14.953 1.00 0.00 S ATOM 0 H CYS A 8 -1.257 6.850 -11.086 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.069 4.824 -13.056 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -1.018 7.113 -13.699 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.458 6.531 -12.955 1.00 0.00 H new ATOM 0 HG CYS A 8 0.105 4.031 -14.659 1.00 0.00 H new ATOM 106 N LYS A 9 0.142 4.460 -10.656 1.00 0.00 N ATOM 107 CA LYS A 9 1.025 3.476 -10.021 1.00 0.00 C ATOM 108 C LYS A 9 0.280 2.187 -9.729 1.00 0.00 C ATOM 109 O LYS A 9 0.840 1.110 -9.948 1.00 0.00 O ATOM 110 CB LYS A 9 1.650 4.031 -8.727 1.00 0.00 C ATOM 111 CG LYS A 9 2.899 4.859 -9.031 1.00 0.00 C ATOM 112 CD LYS A 9 4.150 4.006 -9.275 1.00 0.00 C ATOM 113 CE LYS A 9 5.264 4.866 -9.877 1.00 0.00 C ATOM 114 NZ LYS A 9 4.989 5.237 -11.281 1.00 0.00 N ATOM 0 H LYS A 9 -0.017 5.301 -10.101 1.00 0.00 H new ATOM 0 HA LYS A 9 1.831 3.263 -10.724 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.920 4.647 -8.202 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.909 3.207 -8.062 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.712 5.476 -9.910 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.087 5.538 -8.199 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.487 3.565 -8.337 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.912 3.182 -9.948 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.384 5.771 -9.281 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.208 4.323 -9.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.868 5.560 -11.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.620 4.410 -11.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.285 6.002 -11.306 1.00 0.00 H new ATOM 128 N ILE A 10 -0.943 2.283 -9.206 1.00 0.00 N ATOM 129 CA ILE A 10 -1.722 1.113 -8.844 1.00 0.00 C ATOM 130 C ILE A 10 -2.063 0.354 -10.130 1.00 0.00 C ATOM 131 O ILE A 10 -2.431 0.963 -11.137 1.00 0.00 O ATOM 132 CB ILE A 10 -2.989 1.538 -8.078 1.00 0.00 C ATOM 133 CG1 ILE A 10 -2.728 2.526 -6.916 1.00 0.00 C ATOM 134 CG2 ILE A 10 -3.678 0.309 -7.473 1.00 0.00 C ATOM 135 CD1 ILE A 10 -3.841 3.571 -6.831 1.00 0.00 C ATOM 0 H ILE A 10 -1.413 3.170 -9.025 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.154 0.458 -8.183 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.609 2.041 -8.820 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.664 1.979 -5.975 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.768 3.021 -7.063 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.572 0.622 -6.934 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.957 -0.381 -8.270 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.995 -0.189 -6.785 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.636 4.255 -6.007 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.886 4.131 -7.765 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.795 3.073 -6.660 1.00 0.00 H new ATOM 147 N GLN A 11 -2.023 -0.978 -10.085 1.00 0.00 N ATOM 148 CA GLN A 11 -2.608 -1.848 -11.098 1.00 0.00 C ATOM 149 C GLN A 11 -3.613 -2.779 -10.406 1.00 0.00 C ATOM 150 O GLN A 11 -3.454 -3.046 -9.209 1.00 0.00 O ATOM 151 CB GLN A 11 -1.511 -2.631 -11.844 1.00 0.00 C ATOM 152 CG GLN A 11 -1.068 -1.950 -13.148 1.00 0.00 C ATOM 153 CD GLN A 11 0.084 -0.967 -12.988 1.00 0.00 C ATOM 154 OE1 GLN A 11 1.243 -1.369 -13.046 1.00 0.00 O ATOM 155 NE2 GLN A 11 -0.188 0.310 -12.810 1.00 0.00 N ATOM 0 H GLN A 11 -1.573 -1.490 -9.326 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.130 -1.258 -11.851 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.647 -2.747 -11.190 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.877 -3.633 -12.070 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.776 -2.719 -13.863 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.921 -1.424 -13.576 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.158 0.623 -12.765 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.571 0.985 -12.718 1.00 0.00 H new ATOM 164 N PRO A 12 -4.599 -3.338 -11.131 1.00 0.00 N ATOM 165 CA PRO A 12 -5.672 -4.161 -10.561 1.00 0.00 C ATOM 166 C PRO A 12 -5.247 -5.575 -10.144 1.00 0.00 C ATOM 167 O PRO A 12 -6.076 -6.453 -9.913 1.00 0.00 O ATOM 168 CB PRO A 12 -6.775 -4.159 -11.630 1.00 0.00 C ATOM 169 CG PRO A 12 -5.992 -4.043 -12.935 1.00 0.00 C ATOM 170 CD PRO A 12 -4.856 -3.102 -12.549 1.00 0.00 C ATOM 0 HA PRO A 12 -6.010 -3.742 -9.613 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.370 -5.072 -11.597 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.463 -3.324 -11.497 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.621 -5.010 -13.274 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.602 -3.635 -13.741 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.965 -3.301 -13.145 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.133 -2.063 -12.727 1.00 0.00 H new ATOM 178 N GLY A 13 -3.944 -5.779 -10.014 1.00 0.00 N ATOM 179 CA GLY A 13 -3.281 -7.051 -9.780 1.00 0.00 C ATOM 180 C GLY A 13 -1.803 -6.841 -9.459 1.00 0.00 C ATOM 181 O GLY A 13 -0.942 -7.521 -10.016 1.00 0.00 O ATOM 0 H GLY A 13 -3.279 -5.008 -10.073 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.766 -7.573 -8.955 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.380 -7.685 -10.661 1.00 0.00 H new ATOM 185 N LYS A 14 -1.488 -5.881 -8.588 1.00 0.00 N ATOM 186 CA LYS A 14 -0.184 -5.712 -7.957 1.00 0.00 C ATOM 187 C LYS A 14 -0.502 -5.292 -6.523 1.00 0.00 C ATOM 188 O LYS A 14 -1.632 -4.871 -6.250 1.00 0.00 O ATOM 189 CB LYS A 14 0.600 -4.599 -8.685 1.00 0.00 C ATOM 190 CG LYS A 14 1.678 -5.182 -9.608 1.00 0.00 C ATOM 191 CD LYS A 14 2.846 -4.247 -9.946 1.00 0.00 C ATOM 192 CE LYS A 14 2.440 -3.168 -10.957 1.00 0.00 C ATOM 193 NZ LYS A 14 3.552 -2.816 -11.862 1.00 0.00 N ATOM 0 H LYS A 14 -2.162 -5.174 -8.293 1.00 0.00 H new ATOM 0 HA LYS A 14 0.426 -6.615 -7.992 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.089 -3.989 -9.269 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.065 -3.941 -7.951 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.081 -6.081 -9.142 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.204 -5.491 -10.539 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.207 -3.772 -9.034 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.673 -4.831 -10.350 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.592 -3.521 -11.544 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.110 -2.277 -10.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.196 -2.214 -12.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.283 -2.301 -11.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.962 -3.684 -12.262 1.00 0.00 H new ATOM 207 N VAL A 15 0.467 -5.375 -5.620 1.00 0.00 N ATOM 208 CA VAL A 15 0.338 -4.820 -4.289 1.00 0.00 C ATOM 209 C VAL A 15 1.112 -3.508 -4.299 1.00 0.00 C ATOM 210 O VAL A 15 2.337 -3.509 -4.254 1.00 0.00 O ATOM 211 CB VAL A 15 0.834 -5.816 -3.234 1.00 0.00 C ATOM 212 CG1 VAL A 15 0.542 -5.234 -1.847 1.00 0.00 C ATOM 213 CG2 VAL A 15 0.174 -7.193 -3.388 1.00 0.00 C ATOM 0 H VAL A 15 1.363 -5.830 -5.795 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.701 -4.626 -4.021 1.00 0.00 H new ATOM 0 HB VAL A 15 1.905 -5.966 -3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.888 -5.928 -1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.061 -4.282 -1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.531 -5.077 -1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.555 -7.867 -2.620 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.906 -7.093 -3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.404 -7.599 -4.373 1.00 0.00 H new ATOM 223 N VAL A 16 0.416 -2.386 -4.422 1.00 0.00 N ATOM 224 CA VAL A 16 1.054 -1.081 -4.514 1.00 0.00 C ATOM 225 C VAL A 16 0.839 -0.391 -3.179 1.00 0.00 C ATOM 226 O VAL A 16 -0.293 -0.316 -2.702 1.00 0.00 O ATOM 227 CB VAL A 16 0.509 -0.335 -5.742 1.00 0.00 C ATOM 228 CG1 VAL A 16 1.101 1.070 -5.864 1.00 0.00 C ATOM 229 CG2 VAL A 16 0.870 -1.157 -6.994 1.00 0.00 C ATOM 0 H VAL A 16 -0.603 -2.355 -4.461 1.00 0.00 H new ATOM 0 HA VAL A 16 2.130 -1.131 -4.679 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.570 -0.224 -5.639 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.690 1.563 -6.745 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.851 1.649 -4.975 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.185 1.001 -5.960 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.495 -0.650 -7.883 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.953 -1.257 -7.064 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.418 -2.146 -6.923 1.00 0.00 H new ATOM 239 N VAL A 17 1.919 0.056 -2.546 1.00 0.00 N ATOM 240 CA VAL A 17 1.884 0.594 -1.198 1.00 0.00 C ATOM 241 C VAL A 17 2.520 1.970 -1.209 1.00 0.00 C ATOM 242 O VAL A 17 3.729 2.094 -1.371 1.00 0.00 O ATOM 243 CB VAL A 17 2.572 -0.354 -0.203 1.00 0.00 C ATOM 244 CG1 VAL A 17 2.299 0.154 1.222 1.00 0.00 C ATOM 245 CG2 VAL A 17 2.090 -1.802 -0.362 1.00 0.00 C ATOM 0 H VAL A 17 2.850 0.053 -2.962 1.00 0.00 H new ATOM 0 HA VAL A 17 0.851 0.686 -0.864 1.00 0.00 H new ATOM 0 HB VAL A 17 3.643 -0.358 -0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.780 -0.507 1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.699 1.162 1.332 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.224 0.168 1.404 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.602 -2.437 0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.015 -1.849 -0.189 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.310 -2.150 -1.371 1.00 0.00 H new ATOM 255 N PHE A 18 1.712 3.009 -1.043 1.00 0.00 N ATOM 256 CA PHE A 18 2.247 4.361 -0.964 1.00 0.00 C ATOM 257 C PHE A 18 2.853 4.538 0.425 1.00 0.00 C ATOM 258 O PHE A 18 2.217 4.173 1.420 1.00 0.00 O ATOM 259 CB PHE A 18 1.155 5.383 -1.288 1.00 0.00 C ATOM 260 CG PHE A 18 0.677 5.198 -2.705 1.00 0.00 C ATOM 261 CD1 PHE A 18 1.459 5.680 -3.770 1.00 0.00 C ATOM 262 CD2 PHE A 18 -0.481 4.446 -2.963 1.00 0.00 C ATOM 263 CE1 PHE A 18 1.069 5.430 -5.093 1.00 0.00 C ATOM 264 CE2 PHE A 18 -0.877 4.205 -4.287 1.00 0.00 C ATOM 265 CZ PHE A 18 -0.107 4.706 -5.351 1.00 0.00 C ATOM 0 H PHE A 18 0.697 2.944 -0.961 1.00 0.00 H new ATOM 0 HA PHE A 18 3.031 4.527 -1.703 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.321 5.267 -0.596 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.541 6.394 -1.155 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.359 6.242 -3.569 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.065 4.054 -2.144 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.671 5.793 -5.912 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.772 3.635 -4.489 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.420 4.534 -6.370 1.00 0.00 H new ATOM 275 N ILE A 19 4.073 5.064 0.485 1.00 0.00 N ATOM 276 CA ILE A 19 4.881 5.269 1.678 1.00 0.00 C ATOM 277 C ILE A 19 5.567 6.629 1.582 1.00 0.00 C ATOM 278 O ILE A 19 5.724 7.189 0.498 1.00 0.00 O ATOM 279 CB ILE A 19 5.989 4.180 1.774 1.00 0.00 C ATOM 280 CG1 ILE A 19 6.858 4.075 0.495 1.00 0.00 C ATOM 281 CG2 ILE A 19 5.422 2.801 2.135 1.00 0.00 C ATOM 282 CD1 ILE A 19 8.312 3.688 0.768 1.00 0.00 C ATOM 0 H ILE A 19 4.554 5.379 -0.358 1.00 0.00 H new ATOM 0 HA ILE A 19 4.234 5.215 2.554 1.00 0.00 H new ATOM 0 HB ILE A 19 6.637 4.512 2.585 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.415 3.338 -0.175 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.838 5.032 -0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.235 2.076 2.190 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.919 2.856 3.100 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.709 2.490 1.372 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.857 3.634 -0.174 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.773 4.437 1.412 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.343 2.716 1.261 1.00 0.00 H new ATOM 294 N LYS A 20 6.076 7.113 2.708 1.00 0.00 N ATOM 295 CA LYS A 20 7.121 8.126 2.754 1.00 0.00 C ATOM 296 C LYS A 20 8.360 7.432 3.338 1.00 0.00 C ATOM 297 O LYS A 20 8.204 6.522 4.156 1.00 0.00 O ATOM 298 CB LYS A 20 6.685 9.433 3.461 1.00 0.00 C ATOM 299 CG LYS A 20 5.281 9.460 4.084 1.00 0.00 C ATOM 300 CD LYS A 20 4.835 10.879 4.479 1.00 0.00 C ATOM 301 CE LYS A 20 5.539 11.481 5.689 1.00 0.00 C ATOM 302 NZ LYS A 20 5.226 10.773 6.947 1.00 0.00 N ATOM 0 H LYS A 20 5.768 6.807 3.631 1.00 0.00 H new ATOM 0 HA LYS A 20 7.359 8.501 1.759 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.408 9.649 4.248 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.749 10.246 2.738 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.565 9.042 3.376 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.267 8.820 4.966 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.990 11.539 3.626 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.763 10.861 4.677 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.616 11.460 5.524 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.252 12.528 5.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.499 11.366 7.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.206 10.577 6.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.753 9.877 6.981 1.00 0.00 H new ATOM 316 N PRO A 21 9.576 7.797 2.905 1.00 0.00 N ATOM 317 CA PRO A 21 10.783 6.982 3.073 1.00 0.00 C ATOM 318 C PRO A 21 11.395 7.050 4.482 1.00 0.00 C ATOM 319 O PRO A 21 12.566 6.709 4.670 1.00 0.00 O ATOM 320 CB PRO A 21 11.749 7.495 2.000 1.00 0.00 C ATOM 321 CG PRO A 21 11.353 8.953 1.815 1.00 0.00 C ATOM 322 CD PRO A 21 9.848 8.930 2.034 1.00 0.00 C ATOM 0 HA PRO A 21 10.551 5.923 2.958 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.787 7.401 2.319 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.649 6.933 1.071 1.00 0.00 H new ATOM 0 HG2 PRO A 21 11.855 9.602 2.533 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.611 9.318 0.821 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.508 9.860 2.489 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.319 8.827 1.086 1.00 0.00 H new ATOM 330 N THR A 22 10.649 7.532 5.468 1.00 0.00 N ATOM 331 CA THR A 22 11.154 8.045 6.736 1.00 0.00 C ATOM 332 C THR A 22 10.449 7.431 7.941 1.00 0.00 C ATOM 333 O THR A 22 10.987 7.435 9.050 1.00 0.00 O ATOM 334 CB THR A 22 10.920 9.568 6.726 1.00 0.00 C ATOM 335 OG1 THR A 22 9.657 9.909 6.148 1.00 0.00 O ATOM 336 CG2 THR A 22 11.999 10.273 5.899 1.00 0.00 C ATOM 0 H THR A 22 9.632 7.578 5.403 1.00 0.00 H new ATOM 0 HA THR A 22 12.209 7.788 6.831 1.00 0.00 H new ATOM 0 HB THR A 22 10.950 9.890 7.767 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.951 9.369 6.562 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.817 11.348 5.904 1.00 0.00 H new ATOM 0 HG22 THR A 22 12.979 10.069 6.330 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.970 9.905 4.874 1.00 0.00 H new ATOM 344 N CYS A 23 9.244 6.910 7.734 1.00 0.00 N ATOM 345 CA CYS A 23 8.281 6.725 8.788 1.00 0.00 C ATOM 346 C CYS A 23 8.295 5.319 9.417 1.00 0.00 C ATOM 347 O CYS A 23 8.452 4.330 8.691 1.00 0.00 O ATOM 348 CB CYS A 23 6.938 7.053 8.128 1.00 0.00 C ATOM 349 SG CYS A 23 7.048 8.407 6.924 1.00 0.00 S ATOM 0 H CYS A 23 8.916 6.605 6.818 1.00 0.00 H new ATOM 0 HA CYS A 23 8.505 7.368 9.639 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.558 6.161 7.629 1.00 0.00 H new ATOM 0 HB3 CYS A 23 6.216 7.319 8.900 1.00 0.00 H new ATOM 0 HG CYS A 23 7.409 7.932 5.769 1.00 0.00 H new ATOM 354 N PRO A 24 7.968 5.212 10.718 1.00 0.00 N ATOM 355 CA PRO A 24 7.780 3.930 11.383 1.00 0.00 C ATOM 356 C PRO A 24 6.548 3.189 10.852 1.00 0.00 C ATOM 357 O PRO A 24 6.493 1.960 10.895 1.00 0.00 O ATOM 358 CB PRO A 24 7.617 4.276 12.864 1.00 0.00 C ATOM 359 CG PRO A 24 7.021 5.682 12.853 1.00 0.00 C ATOM 360 CD PRO A 24 7.689 6.312 11.635 1.00 0.00 C ATOM 0 HA PRO A 24 8.621 3.260 11.205 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.960 3.568 13.369 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.573 4.252 13.387 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.935 5.662 12.756 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.249 6.227 13.769 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.037 7.052 11.171 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.607 6.828 11.916 1.00 0.00 H new ATOM 368 N TYR A 25 5.573 3.921 10.314 1.00 0.00 N ATOM 369 CA TYR A 25 4.295 3.369 9.892 1.00 0.00 C ATOM 370 C TYR A 25 4.559 2.588 8.597 1.00 0.00 C ATOM 371 O TYR A 25 4.082 1.467 8.413 1.00 0.00 O ATOM 372 CB TYR A 25 3.361 4.556 9.585 1.00 0.00 C ATOM 373 CG TYR A 25 3.025 5.458 10.761 1.00 0.00 C ATOM 374 CD1 TYR A 25 2.887 4.954 12.070 1.00 0.00 C ATOM 375 CD2 TYR A 25 2.980 6.849 10.544 1.00 0.00 C ATOM 376 CE1 TYR A 25 2.766 5.836 13.156 1.00 0.00 C ATOM 377 CE2 TYR A 25 2.854 7.737 11.625 1.00 0.00 C ATOM 378 CZ TYR A 25 2.776 7.233 12.943 1.00 0.00 C ATOM 379 OH TYR A 25 2.762 8.079 14.010 1.00 0.00 O ATOM 0 H TYR A 25 5.654 4.926 10.159 1.00 0.00 H new ATOM 0 HA TYR A 25 3.848 2.725 10.649 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.822 5.164 8.806 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.430 4.164 9.175 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.874 3.887 12.238 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.043 7.236 9.538 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.665 5.445 14.158 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.817 8.802 11.449 1.00 0.00 H new ATOM 0 HH TYR A 25 2.773 9.006 13.693 1.00 0.00 H new ATOM 389 N CYS A 26 5.357 3.191 7.712 1.00 0.00 N ATOM 390 CA CYS A 26 5.763 2.659 6.426 1.00 0.00 C ATOM 391 C CYS A 26 6.618 1.420 6.690 1.00 0.00 C ATOM 392 O CYS A 26 6.327 0.351 6.161 1.00 0.00 O ATOM 393 CB CYS A 26 6.609 3.737 5.739 1.00 0.00 C ATOM 394 SG CYS A 26 5.533 5.083 5.180 1.00 0.00 S ATOM 0 H CYS A 26 5.754 4.113 7.891 1.00 0.00 H new ATOM 0 HA CYS A 26 4.912 2.393 5.800 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.360 4.120 6.430 1.00 0.00 H new ATOM 0 HB3 CYS A 26 7.144 3.309 4.891 1.00 0.00 H new ATOM 0 HG CYS A 26 4.917 5.599 6.202 1.00 0.00 H new ATOM 400 N ARG A 27 7.627 1.561 7.559 1.00 0.00 N ATOM 401 CA ARG A 27 8.536 0.490 7.949 1.00 0.00 C ATOM 402 C ARG A 27 7.791 -0.723 8.461 1.00 0.00 C ATOM 403 O ARG A 27 8.125 -1.839 8.061 1.00 0.00 O ATOM 404 CB ARG A 27 9.473 0.986 9.049 1.00 0.00 C ATOM 405 CG ARG A 27 10.652 1.764 8.479 1.00 0.00 C ATOM 406 CD ARG A 27 11.385 2.428 9.641 1.00 0.00 C ATOM 407 NE ARG A 27 12.733 2.873 9.245 1.00 0.00 N ATOM 408 CZ ARG A 27 13.721 3.203 10.082 1.00 0.00 C ATOM 409 NH1 ARG A 27 13.498 3.255 11.388 1.00 0.00 N ATOM 410 NH2 ARG A 27 14.937 3.482 9.626 1.00 0.00 N ATOM 0 H ARG A 27 7.834 2.448 8.019 1.00 0.00 H new ATOM 0 HA ARG A 27 9.100 0.201 7.062 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.918 1.621 9.740 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.842 0.136 9.623 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.322 1.097 7.937 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.306 2.514 7.768 1.00 0.00 H new ATOM 0 HD2 ARG A 27 10.808 3.282 9.996 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.462 1.727 10.472 1.00 0.00 H new ATOM 0 HE ARG A 27 12.929 2.934 8.246 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.571 3.043 11.756 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.254 3.507 12.025 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.127 3.446 8.624 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.681 3.732 10.277 1.00 0.00 H new ATOM 424 N ARG A 28 6.820 -0.513 9.352 1.00 0.00 N ATOM 425 CA ARG A 28 6.016 -1.601 9.872 1.00 0.00 C ATOM 426 C ARG A 28 5.397 -2.334 8.709 1.00 0.00 C ATOM 427 O ARG A 28 5.624 -3.525 8.558 1.00 0.00 O ATOM 428 CB ARG A 28 4.928 -1.083 10.808 1.00 0.00 C ATOM 429 CG ARG A 28 4.089 -2.262 11.361 1.00 0.00 C ATOM 430 CD ARG A 28 4.292 -2.439 12.865 1.00 0.00 C ATOM 431 NE ARG A 28 5.675 -2.830 13.172 1.00 0.00 N ATOM 432 CZ ARG A 28 6.352 -2.580 14.293 1.00 0.00 C ATOM 433 NH1 ARG A 28 5.768 -2.007 15.341 1.00 0.00 N ATOM 434 NH2 ARG A 28 7.621 -2.939 14.336 1.00 0.00 N ATOM 0 H ARG A 28 6.577 0.405 9.724 1.00 0.00 H new ATOM 0 HA ARG A 28 6.650 -2.275 10.448 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.380 -0.531 11.632 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.281 -0.386 10.275 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.033 -2.087 11.154 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.367 -3.181 10.845 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.052 -1.508 13.379 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.605 -3.197 13.241 1.00 0.00 H new ATOM 0 HE ARG A 28 6.171 -3.350 12.448 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.782 -1.749 15.298 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.306 -1.825 16.188 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.051 -3.391 13.529 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.172 -2.765 15.176 1.00 0.00 H new ATOM 448 N ALA A 29 4.607 -1.626 7.908 1.00 0.00 N ATOM 449 CA ALA A 29 3.907 -2.252 6.804 1.00 0.00 C ATOM 450 C ALA A 29 4.871 -2.993 5.884 1.00 0.00 C ATOM 451 O ALA A 29 4.507 -4.057 5.404 1.00 0.00 O ATOM 452 CB ALA A 29 3.133 -1.207 6.014 1.00 0.00 C ATOM 0 H ALA A 29 4.439 -0.625 8.006 1.00 0.00 H new ATOM 0 HA ALA A 29 3.210 -2.980 7.219 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.611 -1.689 5.187 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.408 -0.721 6.667 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.825 -0.462 5.621 1.00 0.00 H new ATOM 458 N GLN A 30 6.081 -2.477 5.654 1.00 0.00 N ATOM 459 CA GLN A 30 7.125 -3.141 4.935 1.00 0.00 C ATOM 460 C GLN A 30 7.449 -4.501 5.508 1.00 0.00 C ATOM 461 O GLN A 30 7.375 -5.467 4.767 1.00 0.00 O ATOM 462 CB GLN A 30 8.358 -2.240 4.885 1.00 0.00 C ATOM 463 CG GLN A 30 8.966 -2.368 3.503 1.00 0.00 C ATOM 464 CD GLN A 30 10.060 -1.335 3.235 1.00 0.00 C ATOM 465 OE1 GLN A 30 10.517 -0.636 4.143 1.00 0.00 O ATOM 466 NE2 GLN A 30 10.507 -1.217 1.996 1.00 0.00 N ATOM 0 H GLN A 30 6.351 -1.550 5.983 1.00 0.00 H new ATOM 0 HA GLN A 30 6.776 -3.325 3.919 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.084 -1.205 5.088 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.078 -2.534 5.648 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.382 -3.369 3.386 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.181 -2.260 2.755 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.119 -1.802 1.256 1.00 0.00 H new ATOM 0 HE22 GLN A 30 11.240 -0.541 1.780 1.00 0.00 H new ATOM 475 N GLU A 31 7.822 -4.581 6.782 1.00 0.00 N ATOM 476 CA GLU A 31 8.294 -5.843 7.352 1.00 0.00 C ATOM 477 C GLU A 31 7.143 -6.838 7.496 1.00 0.00 C ATOM 478 O GLU A 31 7.296 -8.031 7.254 1.00 0.00 O ATOM 479 CB GLU A 31 9.057 -5.582 8.667 1.00 0.00 C ATOM 480 CG GLU A 31 8.188 -5.308 9.915 1.00 0.00 C ATOM 481 CD GLU A 31 8.704 -4.251 10.897 1.00 0.00 C ATOM 482 OE1 GLU A 31 9.855 -3.768 10.798 1.00 0.00 O ATOM 483 OE2 GLU A 31 7.913 -3.871 11.789 1.00 0.00 O ATOM 0 H GLU A 31 7.808 -3.797 7.435 1.00 0.00 H new ATOM 0 HA GLU A 31 9.005 -6.309 6.670 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.691 -6.445 8.873 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.719 -4.729 8.516 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.197 -5.004 9.579 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.067 -6.246 10.458 1.00 0.00 H new ATOM 490 N ILE A 32 5.965 -6.320 7.821 1.00 0.00 N ATOM 491 CA ILE A 32 4.716 -7.049 7.887 1.00 0.00 C ATOM 492 C ILE A 32 4.414 -7.676 6.536 1.00 0.00 C ATOM 493 O ILE A 32 4.043 -8.849 6.479 1.00 0.00 O ATOM 494 CB ILE A 32 3.629 -6.063 8.352 1.00 0.00 C ATOM 495 CG1 ILE A 32 3.667 -6.036 9.897 1.00 0.00 C ATOM 496 CG2 ILE A 32 2.221 -6.302 7.801 1.00 0.00 C ATOM 497 CD1 ILE A 32 2.573 -5.181 10.528 1.00 0.00 C ATOM 0 H ILE A 32 5.855 -5.333 8.056 1.00 0.00 H new ATOM 0 HA ILE A 32 4.763 -7.873 8.599 1.00 0.00 H new ATOM 0 HB ILE A 32 3.866 -5.087 7.929 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.578 -7.056 10.271 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.638 -5.662 10.220 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.542 -5.547 8.197 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.240 -6.237 6.713 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.877 -7.292 8.100 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.667 -5.213 11.613 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.673 -4.151 10.185 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.596 -5.567 10.237 1.00 0.00 H new ATOM 509 N LEU A 33 4.493 -6.875 5.470 1.00 0.00 N ATOM 510 CA LEU A 33 4.076 -7.331 4.166 1.00 0.00 C ATOM 511 C LEU A 33 5.159 -8.233 3.592 1.00 0.00 C ATOM 512 O LEU A 33 4.835 -9.290 3.059 1.00 0.00 O ATOM 513 CB LEU A 33 3.837 -6.173 3.179 1.00 0.00 C ATOM 514 CG LEU A 33 2.431 -5.546 3.194 1.00 0.00 C ATOM 515 CD1 LEU A 33 2.376 -4.376 2.225 1.00 0.00 C ATOM 516 CD2 LEU A 33 1.368 -6.559 2.763 1.00 0.00 C ATOM 0 H LEU A 33 4.841 -5.917 5.496 1.00 0.00 H new ATOM 0 HA LEU A 33 3.132 -7.861 4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.564 -5.389 3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.040 -6.535 2.171 1.00 0.00 H new ATOM 0 HG LEU A 33 2.231 -5.217 4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.378 -3.937 2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.108 -3.624 2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.602 -4.727 1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.386 -6.087 2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.583 -6.904 1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.377 -7.408 3.446 1.00 0.00 H new ATOM 528 N SER A 34 6.424 -7.795 3.618 1.00 0.00 N ATOM 529 CA SER A 34 7.440 -8.406 2.768 1.00 0.00 C ATOM 530 C SER A 34 7.765 -9.847 3.162 1.00 0.00 C ATOM 531 O SER A 34 8.221 -10.614 2.314 1.00 0.00 O ATOM 532 CB SER A 34 8.704 -7.539 2.714 1.00 0.00 C ATOM 533 OG SER A 34 9.425 -7.500 3.932 1.00 0.00 O ATOM 0 H SER A 34 6.759 -7.034 4.208 1.00 0.00 H new ATOM 0 HA SER A 34 7.016 -8.458 1.765 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.358 -7.916 1.928 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.424 -6.523 2.436 1.00 0.00 H new ATOM 0 HG SER A 34 9.002 -6.860 4.542 1.00 0.00 H new ATOM 539 N GLN A 35 7.566 -10.229 4.429 1.00 0.00 N ATOM 540 CA GLN A 35 7.838 -11.594 4.869 1.00 0.00 C ATOM 541 C GLN A 35 6.692 -12.551 4.515 1.00 0.00 C ATOM 542 O GLN A 35 6.858 -13.763 4.651 1.00 0.00 O ATOM 543 CB GLN A 35 8.170 -11.625 6.369 1.00 0.00 C ATOM 544 CG GLN A 35 9.332 -10.697 6.770 1.00 0.00 C ATOM 545 CD GLN A 35 10.569 -10.819 5.878 1.00 0.00 C ATOM 546 OE1 GLN A 35 11.298 -11.800 5.927 1.00 0.00 O ATOM 547 NE2 GLN A 35 10.848 -9.830 5.039 1.00 0.00 N ATOM 0 H GLN A 35 7.219 -9.611 5.162 1.00 0.00 H new ATOM 0 HA GLN A 35 8.714 -11.950 4.327 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.281 -11.343 6.934 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.419 -12.647 6.655 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.982 -9.665 6.748 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.617 -10.915 7.799 1.00 0.00 H new ATOM 0 HE21 GLN A 35 10.242 -9.011 4.996 1.00 0.00 H new ATOM 0 HE22 GLN A 35 11.669 -9.889 4.437 1.00 0.00 H new ATOM 556 N LEU A 36 5.543 -12.053 4.045 1.00 0.00 N ATOM 557 CA LEU A 36 4.524 -12.903 3.459 1.00 0.00 C ATOM 558 C LEU A 36 5.033 -13.322 2.075 1.00 0.00 C ATOM 559 O LEU A 36 5.519 -12.465 1.333 1.00 0.00 O ATOM 560 CB LEU A 36 3.197 -12.143 3.329 1.00 0.00 C ATOM 561 CG LEU A 36 2.639 -11.585 4.651 1.00 0.00 C ATOM 562 CD1 LEU A 36 1.351 -10.812 4.371 1.00 0.00 C ATOM 563 CD2 LEU A 36 2.351 -12.680 5.685 1.00 0.00 C ATOM 0 H LEU A 36 5.304 -11.062 4.063 1.00 0.00 H new ATOM 0 HA LEU A 36 4.341 -13.774 4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.335 -11.317 2.632 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.454 -12.810 2.890 1.00 0.00 H new ATOM 0 HG LEU A 36 3.404 -10.932 5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.954 -10.416 5.306 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.562 -9.989 3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.617 -11.479 3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.960 -12.227 6.596 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.616 -13.377 5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.272 -13.216 5.913 1.00 0.00 H new ATOM 575 N PRO A 37 4.929 -14.603 1.687 1.00 0.00 N ATOM 576 CA PRO A 37 5.384 -15.067 0.384 1.00 0.00 C ATOM 577 C PRO A 37 4.394 -14.591 -0.682 1.00 0.00 C ATOM 578 O PRO A 37 3.297 -15.138 -0.780 1.00 0.00 O ATOM 579 CB PRO A 37 5.450 -16.593 0.510 1.00 0.00 C ATOM 580 CG PRO A 37 4.375 -16.924 1.548 1.00 0.00 C ATOM 581 CD PRO A 37 4.344 -15.692 2.455 1.00 0.00 C ATOM 0 HA PRO A 37 6.358 -14.678 0.086 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.249 -17.082 -0.443 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.436 -16.925 0.836 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.407 -17.098 1.078 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.625 -17.825 2.108 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.323 -15.453 2.752 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.909 -15.869 3.370 1.00 0.00 H new ATOM 589 N ILE A 38 4.740 -13.566 -1.458 1.00 0.00 N ATOM 590 CA ILE A 38 3.845 -12.906 -2.408 1.00 0.00 C ATOM 591 C ILE A 38 4.541 -13.016 -3.772 1.00 0.00 C ATOM 592 O ILE A 38 5.774 -13.076 -3.824 1.00 0.00 O ATOM 593 CB ILE A 38 3.645 -11.450 -1.907 1.00 0.00 C ATOM 594 CG1 ILE A 38 2.543 -11.479 -0.824 1.00 0.00 C ATOM 595 CG2 ILE A 38 3.226 -10.446 -3.008 1.00 0.00 C ATOM 596 CD1 ILE A 38 2.535 -10.224 0.051 1.00 0.00 C ATOM 0 H ILE A 38 5.676 -13.160 -1.443 1.00 0.00 H new ATOM 0 HA ILE A 38 2.852 -13.346 -2.497 1.00 0.00 H new ATOM 0 HB ILE A 38 4.608 -11.103 -1.532 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.571 -11.587 -1.305 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.685 -12.356 -0.192 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.108 -9.455 -2.571 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.993 -10.413 -3.781 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.281 -10.763 -3.448 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.740 -10.303 0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.495 -10.127 0.557 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.364 -9.347 -0.573 1.00 0.00 H new ATOM 608 N LYS A 39 3.792 -13.042 -4.884 1.00 0.00 N ATOM 609 CA LYS A 39 4.391 -13.220 -6.200 1.00 0.00 C ATOM 610 C LYS A 39 5.408 -12.104 -6.423 1.00 0.00 C ATOM 611 O LYS A 39 5.088 -10.924 -6.242 1.00 0.00 O ATOM 612 CB LYS A 39 3.387 -13.347 -7.355 1.00 0.00 C ATOM 613 CG LYS A 39 2.601 -14.670 -7.354 1.00 0.00 C ATOM 614 CD LYS A 39 2.432 -15.325 -8.729 1.00 0.00 C ATOM 615 CE LYS A 39 1.609 -14.467 -9.701 1.00 0.00 C ATOM 616 NZ LYS A 39 2.419 -13.490 -10.460 1.00 0.00 N ATOM 0 H LYS A 39 2.777 -12.942 -4.891 1.00 0.00 H new ATOM 0 HA LYS A 39 4.892 -14.188 -6.206 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.682 -12.517 -7.304 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.922 -13.254 -8.300 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.106 -15.374 -6.693 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.613 -14.488 -6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.415 -15.512 -9.160 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.948 -16.294 -8.608 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.093 -15.122 -10.403 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.842 -13.933 -9.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.920 -13.231 -11.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.568 -12.639 -9.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.339 -13.912 -10.698 1.00 0.00 H new ATOM 630 N GLN A 40 6.653 -12.468 -6.720 1.00 0.00 N ATOM 631 CA GLN A 40 7.730 -11.493 -6.721 1.00 0.00 C ATOM 632 C GLN A 40 7.475 -10.485 -7.843 1.00 0.00 C ATOM 633 O GLN A 40 7.081 -10.850 -8.957 1.00 0.00 O ATOM 634 CB GLN A 40 9.078 -12.211 -6.825 1.00 0.00 C ATOM 635 CG GLN A 40 10.241 -11.366 -6.276 1.00 0.00 C ATOM 636 CD GLN A 40 11.565 -12.137 -6.279 1.00 0.00 C ATOM 637 OE1 GLN A 40 11.589 -13.368 -6.324 1.00 0.00 O ATOM 638 NE2 GLN A 40 12.698 -11.459 -6.208 1.00 0.00 N ATOM 0 H GLN A 40 6.935 -13.419 -6.959 1.00 0.00 H new ATOM 0 HA GLN A 40 7.762 -10.932 -5.787 1.00 0.00 H new ATOM 0 HB2 GLN A 40 9.027 -13.152 -6.278 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.274 -12.459 -7.868 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.347 -10.462 -6.876 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.009 -11.048 -5.259 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.681 -10.440 -6.171 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.589 -11.955 -6.191 1.00 0.00 H new ATOM 647 N GLY A 41 7.674 -9.204 -7.550 1.00 0.00 N ATOM 648 CA GLY A 41 7.363 -8.116 -8.458 1.00 0.00 C ATOM 649 C GLY A 41 5.914 -7.637 -8.350 1.00 0.00 C ATOM 650 O GLY A 41 5.526 -6.752 -9.119 1.00 0.00 O ATOM 0 H GLY A 41 8.062 -8.892 -6.660 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.032 -7.279 -8.255 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.557 -8.438 -9.481 1.00 0.00 H new ATOM 654 N LEU A 42 5.080 -8.185 -7.453 1.00 0.00 N ATOM 655 CA LEU A 42 3.812 -7.549 -7.155 1.00 0.00 C ATOM 656 C LEU A 42 3.981 -6.382 -6.196 1.00 0.00 C ATOM 657 O LEU A 42 3.223 -5.425 -6.322 1.00 0.00 O ATOM 658 CB LEU A 42 2.803 -8.502 -6.529 1.00 0.00 C ATOM 659 CG LEU A 42 2.296 -9.650 -7.405 1.00 0.00 C ATOM 660 CD1 LEU A 42 1.083 -10.229 -6.690 1.00 0.00 C ATOM 661 CD2 LEU A 42 1.882 -9.252 -8.817 1.00 0.00 C ATOM 0 H LEU A 42 5.264 -9.046 -6.939 1.00 0.00 H new ATOM 0 HA LEU A 42 3.439 -7.206 -8.120 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.253 -8.932 -5.634 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.942 -7.918 -6.204 1.00 0.00 H new ATOM 0 HG LEU A 42 3.118 -10.354 -7.534 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.678 -11.056 -7.273 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.379 -10.590 -5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.322 -9.456 -6.580 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.538 -10.134 -9.358 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.076 -8.520 -8.767 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.735 -8.817 -9.337 1.00 0.00 H new ATOM 673 N LEU A 43 4.853 -6.520 -5.189 1.00 0.00 N ATOM 674 CA LEU A 43 4.808 -5.707 -3.980 1.00 0.00 C ATOM 675 C LEU A 43 5.725 -4.498 -4.122 1.00 0.00 C ATOM 676 O LEU A 43 6.917 -4.589 -3.817 1.00 0.00 O ATOM 677 CB LEU A 43 5.117 -6.551 -2.730 1.00 0.00 C ATOM 678 CG LEU A 43 4.584 -6.016 -1.375 1.00 0.00 C ATOM 679 CD1 LEU A 43 4.143 -4.545 -1.353 1.00 0.00 C ATOM 680 CD2 LEU A 43 3.448 -6.916 -0.863 1.00 0.00 C ATOM 0 H LEU A 43 5.610 -7.203 -5.196 1.00 0.00 H new ATOM 0 HA LEU A 43 3.795 -5.327 -3.845 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.709 -7.550 -2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.199 -6.658 -2.651 1.00 0.00 H new ATOM 0 HG LEU A 43 5.447 -6.051 -0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.790 -4.286 -0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.987 -3.908 -1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.338 -4.396 -2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.081 -6.532 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.635 -6.924 -1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.822 -7.931 -0.725 1.00 0.00 H new ATOM 692 N GLU A 44 5.183 -3.366 -4.566 1.00 0.00 N ATOM 693 CA GLU A 44 5.954 -2.160 -4.796 1.00 0.00 C ATOM 694 C GLU A 44 5.572 -1.115 -3.757 1.00 0.00 C ATOM 695 O GLU A 44 4.427 -0.666 -3.701 1.00 0.00 O ATOM 696 CB GLU A 44 5.778 -1.675 -6.235 1.00 0.00 C ATOM 697 CG GLU A 44 6.889 -0.666 -6.539 1.00 0.00 C ATOM 698 CD GLU A 44 6.880 -0.246 -8.002 1.00 0.00 C ATOM 699 OE1 GLU A 44 7.391 -1.026 -8.841 1.00 0.00 O ATOM 700 OE2 GLU A 44 6.418 0.869 -8.321 1.00 0.00 O ATOM 0 H GLU A 44 4.190 -3.266 -4.776 1.00 0.00 H new ATOM 0 HA GLU A 44 7.018 -2.364 -4.677 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.827 -2.515 -6.928 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.799 -1.213 -6.363 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.766 0.213 -5.907 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.856 -1.103 -6.291 1.00 0.00 H new ATOM 707 N PHE A 45 6.540 -0.748 -2.921 1.00 0.00 N ATOM 708 CA PHE A 45 6.448 0.388 -2.024 1.00 0.00 C ATOM 709 C PHE A 45 6.862 1.619 -2.832 1.00 0.00 C ATOM 710 O PHE A 45 7.977 1.655 -3.363 1.00 0.00 O ATOM 711 CB PHE A 45 7.317 0.159 -0.781 1.00 0.00 C ATOM 712 CG PHE A 45 6.898 -1.067 0.013 1.00 0.00 C ATOM 713 CD1 PHE A 45 7.399 -2.332 -0.341 1.00 0.00 C ATOM 714 CD2 PHE A 45 5.977 -0.962 1.072 1.00 0.00 C ATOM 715 CE1 PHE A 45 7.000 -3.483 0.357 1.00 0.00 C ATOM 716 CE2 PHE A 45 5.561 -2.113 1.764 1.00 0.00 C ATOM 717 CZ PHE A 45 6.073 -3.372 1.404 1.00 0.00 C ATOM 0 H PHE A 45 7.427 -1.247 -2.851 1.00 0.00 H new ATOM 0 HA PHE A 45 5.436 0.532 -1.646 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.358 0.050 -1.086 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.263 1.038 -0.139 1.00 0.00 H new ATOM 0 HD1 PHE A 45 8.099 -2.419 -1.159 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.589 0.006 1.354 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.404 -4.448 0.089 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.849 -2.030 2.572 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.752 -4.256 1.935 1.00 0.00 H new ATOM 727 N VAL A 46 5.955 2.582 -2.970 1.00 0.00 N ATOM 728 CA VAL A 46 6.003 3.725 -3.871 1.00 0.00 C ATOM 729 C VAL A 46 6.118 4.984 -3.020 1.00 0.00 C ATOM 730 O VAL A 46 5.366 5.154 -2.060 1.00 0.00 O ATOM 731 CB VAL A 46 4.716 3.748 -4.716 1.00 0.00 C ATOM 732 CG1 VAL A 46 4.690 4.939 -5.675 1.00 0.00 C ATOM 733 CG2 VAL A 46 4.564 2.466 -5.542 1.00 0.00 C ATOM 0 H VAL A 46 5.102 2.581 -2.410 1.00 0.00 H new ATOM 0 HA VAL A 46 6.856 3.665 -4.547 1.00 0.00 H new ATOM 0 HB VAL A 46 3.891 3.831 -4.008 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.766 4.920 -6.254 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.742 5.866 -5.105 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.543 4.880 -6.351 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.645 2.516 -6.126 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.416 2.363 -6.214 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.523 1.606 -4.874 1.00 0.00 H new ATOM 743 N ASP A 47 7.056 5.860 -3.361 1.00 0.00 N ATOM 744 CA ASP A 47 7.399 7.009 -2.542 1.00 0.00 C ATOM 745 C ASP A 47 6.424 8.155 -2.803 1.00 0.00 C ATOM 746 O ASP A 47 6.100 8.437 -3.962 1.00 0.00 O ATOM 747 CB ASP A 47 8.816 7.467 -2.890 1.00 0.00 C ATOM 748 CG ASP A 47 9.430 8.150 -1.680 1.00 0.00 C ATOM 749 OD1 ASP A 47 9.240 9.376 -1.508 1.00 0.00 O ATOM 750 OD2 ASP A 47 10.065 7.421 -0.893 1.00 0.00 O ATOM 0 H ASP A 47 7.602 5.790 -4.220 1.00 0.00 H new ATOM 0 HA ASP A 47 7.342 6.726 -1.491 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.424 6.613 -3.189 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.792 8.153 -3.737 1.00 0.00 H new ATOM 755 N ILE A 48 5.975 8.853 -1.761 1.00 0.00 N ATOM 756 CA ILE A 48 5.153 10.058 -1.892 1.00 0.00 C ATOM 757 C ILE A 48 5.977 11.342 -1.741 1.00 0.00 C ATOM 758 O ILE A 48 5.403 12.420 -1.689 1.00 0.00 O ATOM 759 CB ILE A 48 3.914 10.026 -0.965 1.00 0.00 C ATOM 760 CG1 ILE A 48 4.211 10.180 0.543 1.00 0.00 C ATOM 761 CG2 ILE A 48 3.086 8.751 -1.223 1.00 0.00 C ATOM 762 CD1 ILE A 48 2.977 10.653 1.323 1.00 0.00 C ATOM 0 H ILE A 48 6.172 8.597 -0.794 1.00 0.00 H new ATOM 0 HA ILE A 48 4.767 10.066 -2.911 1.00 0.00 H new ATOM 0 HB ILE A 48 3.341 10.915 -1.229 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.551 9.226 0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.024 10.893 0.682 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.218 8.742 -0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.754 8.737 -2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.700 7.872 -1.026 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.229 10.748 2.379 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.652 11.620 0.939 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.172 9.927 1.206 1.00 0.00 H new ATOM 774 N THR A 49 7.300 11.283 -1.619 1.00 0.00 N ATOM 775 CA THR A 49 8.129 12.459 -1.363 1.00 0.00 C ATOM 776 C THR A 49 9.103 12.715 -2.505 1.00 0.00 C ATOM 777 O THR A 49 9.549 13.849 -2.673 1.00 0.00 O ATOM 778 CB THR A 49 8.853 12.331 -0.008 1.00 0.00 C ATOM 779 OG1 THR A 49 9.969 11.452 -0.049 1.00 0.00 O ATOM 780 CG2 THR A 49 7.925 11.848 1.106 1.00 0.00 C ATOM 0 H THR A 49 7.830 10.415 -1.695 1.00 0.00 H new ATOM 0 HA THR A 49 7.474 13.328 -1.307 1.00 0.00 H new ATOM 0 HB THR A 49 9.199 13.342 0.204 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.797 10.735 -0.695 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.484 11.775 2.039 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.105 12.556 1.229 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.523 10.869 0.846 1.00 0.00 H new ATOM 826 N HIS A 53 5.126 15.212 -4.621 1.00 0.00 N ATOM 827 CA HIS A 53 4.385 15.999 -3.624 1.00 0.00 C ATOM 828 C HIS A 53 3.355 15.212 -2.821 1.00 0.00 C ATOM 829 O HIS A 53 2.157 15.215 -3.096 1.00 0.00 O ATOM 830 CB HIS A 53 3.831 17.310 -4.196 1.00 0.00 C ATOM 831 CG HIS A 53 3.663 18.404 -3.164 1.00 0.00 C ATOM 832 ND1 HIS A 53 2.615 19.294 -3.102 1.00 0.00 N ATOM 833 CD2 HIS A 53 4.537 18.731 -2.158 1.00 0.00 C ATOM 834 CE1 HIS A 53 2.847 20.136 -2.084 1.00 0.00 C ATOM 835 NE2 HIS A 53 3.989 19.804 -1.450 1.00 0.00 N ATOM 0 HA HIS A 53 5.136 16.276 -2.885 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.499 17.664 -4.981 1.00 0.00 H new ATOM 0 HB3 HIS A 53 2.866 17.113 -4.663 1.00 0.00 H new ATOM 0 HD1 HIS A 53 1.805 19.310 -3.721 1.00 0.00 H new ATOM 0 HD2 HIS A 53 5.479 18.246 -1.951 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.209 20.963 -1.811 1.00 0.00 H new ATOM 843 N THR A 54 3.866 14.666 -1.723 1.00 0.00 N ATOM 844 CA THR A 54 3.201 14.082 -0.570 1.00 0.00 C ATOM 845 C THR A 54 1.914 14.814 -0.290 1.00 0.00 C ATOM 846 O THR A 54 0.855 14.214 -0.385 1.00 0.00 O ATOM 847 CB THR A 54 4.148 13.987 0.649 1.00 0.00 C ATOM 848 OG1 THR A 54 3.502 14.190 1.890 1.00 0.00 O ATOM 849 CG2 THR A 54 5.346 14.922 0.599 1.00 0.00 C ATOM 0 H THR A 54 4.879 14.618 -1.610 1.00 0.00 H new ATOM 0 HA THR A 54 2.932 13.050 -0.796 1.00 0.00 H new ATOM 0 HB THR A 54 4.501 12.958 0.578 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.156 14.115 2.616 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.952 14.785 1.494 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.946 14.698 -0.283 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.000 15.954 0.550 1.00 0.00 H new ATOM 857 N ASN A 55 2.013 16.094 0.056 1.00 0.00 N ATOM 858 CA ASN A 55 0.867 16.885 0.486 1.00 0.00 C ATOM 859 C ASN A 55 -0.306 16.745 -0.479 1.00 0.00 C ATOM 860 O ASN A 55 -1.427 16.506 -0.028 1.00 0.00 O ATOM 861 CB ASN A 55 1.225 18.361 0.674 1.00 0.00 C ATOM 862 CG ASN A 55 2.255 18.534 1.771 1.00 0.00 C ATOM 863 OD1 ASN A 55 1.988 18.195 2.926 1.00 0.00 O ATOM 864 ND2 ASN A 55 3.443 19.006 1.436 1.00 0.00 N ATOM 0 H ASN A 55 2.892 16.612 0.046 1.00 0.00 H new ATOM 0 HA ASN A 55 0.564 16.488 1.455 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.612 18.767 -0.261 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.327 18.928 0.920 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.173 19.099 2.143 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.630 19.277 0.471 1.00 0.00 H new ATOM 871 N GLU A 56 -0.034 16.852 -1.782 1.00 0.00 N ATOM 872 CA GLU A 56 -1.010 16.732 -2.860 1.00 0.00 C ATOM 873 C GLU A 56 -1.542 15.299 -2.961 1.00 0.00 C ATOM 874 O GLU A 56 -2.751 15.063 -2.985 1.00 0.00 O ATOM 875 CB GLU A 56 -0.262 17.142 -4.147 1.00 0.00 C ATOM 876 CG GLU A 56 -0.931 18.264 -4.923 1.00 0.00 C ATOM 877 CD GLU A 56 -1.920 17.735 -5.953 1.00 0.00 C ATOM 878 OE1 GLU A 56 -2.884 17.037 -5.577 1.00 0.00 O ATOM 879 OE2 GLU A 56 -1.790 18.027 -7.165 1.00 0.00 O ATOM 0 H GLU A 56 0.910 17.032 -2.125 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.880 17.366 -2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.750 17.450 -3.884 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.171 16.270 -4.795 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.450 18.926 -4.229 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.170 18.862 -5.425 1.00 0.00 H new ATOM 886 N ILE A 57 -0.625 14.335 -2.996 1.00 0.00 N ATOM 887 CA ILE A 57 -0.896 12.908 -3.057 1.00 0.00 C ATOM 888 C ILE A 57 -1.815 12.490 -1.913 1.00 0.00 C ATOM 889 O ILE A 57 -2.736 11.710 -2.131 1.00 0.00 O ATOM 890 CB ILE A 57 0.466 12.175 -3.058 1.00 0.00 C ATOM 891 CG1 ILE A 57 0.975 12.147 -4.509 1.00 0.00 C ATOM 892 CG2 ILE A 57 0.411 10.767 -2.443 1.00 0.00 C ATOM 893 CD1 ILE A 57 2.473 11.882 -4.613 1.00 0.00 C ATOM 0 H ILE A 57 0.374 14.542 -2.982 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.431 12.639 -3.968 1.00 0.00 H new ATOM 0 HB ILE A 57 1.158 12.719 -2.416 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.437 11.377 -5.062 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.747 13.100 -4.986 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.402 10.315 -2.479 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.081 10.835 -1.407 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.289 10.151 -3.007 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.769 11.875 -5.662 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.018 12.666 -4.087 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.704 10.916 -4.164 1.00 0.00 H new ATOM 905 N GLN A 58 -1.559 12.989 -0.712 1.00 0.00 N ATOM 906 CA GLN A 58 -2.171 12.576 0.535 1.00 0.00 C ATOM 907 C GLN A 58 -3.613 13.101 0.495 1.00 0.00 C ATOM 908 O GLN A 58 -4.558 12.368 0.791 1.00 0.00 O ATOM 909 CB GLN A 58 -1.388 13.267 1.672 1.00 0.00 C ATOM 910 CG GLN A 58 -0.228 12.469 2.288 1.00 0.00 C ATOM 911 CD GLN A 58 -0.593 11.048 2.677 1.00 0.00 C ATOM 912 OE1 GLN A 58 -0.570 10.148 1.846 1.00 0.00 O ATOM 913 NE2 GLN A 58 -0.944 10.808 3.926 1.00 0.00 N ATOM 0 H GLN A 58 -0.878 13.737 -0.578 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.161 11.497 0.686 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.991 14.207 1.290 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.090 13.517 2.467 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.597 12.439 1.576 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.132 12.995 3.172 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.958 11.568 4.607 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.201 9.863 4.211 1.00 0.00 H new ATOM 922 N ASP A 59 -3.775 14.366 0.095 1.00 0.00 N ATOM 923 CA ASP A 59 -5.058 15.038 -0.081 1.00 0.00 C ATOM 924 C ASP A 59 -5.929 14.249 -1.063 1.00 0.00 C ATOM 925 O ASP A 59 -7.089 13.950 -0.757 1.00 0.00 O ATOM 926 CB ASP A 59 -4.825 16.492 -0.552 1.00 0.00 C ATOM 927 CG ASP A 59 -5.058 17.517 0.561 1.00 0.00 C ATOM 928 OD1 ASP A 59 -6.095 17.465 1.259 1.00 0.00 O ATOM 929 OD2 ASP A 59 -4.201 18.413 0.753 1.00 0.00 O ATOM 0 H ASP A 59 -2.982 14.970 -0.123 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.590 15.079 0.870 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.805 16.590 -0.923 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.491 16.710 -1.387 1.00 0.00 H new ATOM 934 N TYR A 60 -5.363 13.870 -2.217 1.00 0.00 N ATOM 935 CA TYR A 60 -6.050 13.056 -3.216 1.00 0.00 C ATOM 936 C TYR A 60 -6.356 11.652 -2.688 1.00 0.00 C ATOM 937 O TYR A 60 -7.466 11.159 -2.884 1.00 0.00 O ATOM 938 CB TYR A 60 -5.235 12.974 -4.518 1.00 0.00 C ATOM 939 CG TYR A 60 -5.851 12.033 -5.546 1.00 0.00 C ATOM 940 CD1 TYR A 60 -7.176 12.244 -5.974 1.00 0.00 C ATOM 941 CD2 TYR A 60 -5.146 10.899 -6.001 1.00 0.00 C ATOM 942 CE1 TYR A 60 -7.805 11.327 -6.830 1.00 0.00 C ATOM 943 CE2 TYR A 60 -5.766 9.978 -6.870 1.00 0.00 C ATOM 944 CZ TYR A 60 -7.104 10.190 -7.282 1.00 0.00 C ATOM 945 OH TYR A 60 -7.744 9.312 -8.102 1.00 0.00 O ATOM 0 H TYR A 60 -4.411 14.123 -2.480 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.999 13.546 -3.433 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.150 13.971 -4.951 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.224 12.639 -4.287 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.713 13.120 -5.640 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.127 10.736 -5.682 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.826 11.492 -7.142 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.222 9.113 -7.220 1.00 0.00 H new ATOM 0 HH TYR A 60 -7.165 8.539 -8.269 1.00 0.00 H new ATOM 955 N LEU A 61 -5.399 10.990 -2.027 1.00 0.00 N ATOM 956 CA LEU A 61 -5.550 9.635 -1.499 1.00 0.00 C ATOM 957 C LEU A 61 -6.751 9.573 -0.570 1.00 0.00 C ATOM 958 O LEU A 61 -7.531 8.618 -0.667 1.00 0.00 O ATOM 959 CB LEU A 61 -4.285 9.162 -0.752 1.00 0.00 C ATOM 960 CG LEU A 61 -3.230 8.501 -1.654 1.00 0.00 C ATOM 961 CD1 LEU A 61 -1.882 8.406 -0.933 1.00 0.00 C ATOM 962 CD2 LEU A 61 -3.674 7.086 -2.042 1.00 0.00 C ATOM 0 H LEU A 61 -4.480 11.392 -1.842 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.703 8.966 -2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.833 10.017 -0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.578 8.455 0.024 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.124 9.117 -2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.151 7.935 -1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.540 9.406 -0.667 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.995 7.809 -0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.918 6.630 -2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.800 6.484 -1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.621 7.136 -2.580 1.00 0.00 H new ATOM 974 N GLN A 62 -6.921 10.587 0.288 1.00 0.00 N ATOM 975 CA GLN A 62 -8.093 10.691 1.136 1.00 0.00 C ATOM 976 C GLN A 62 -9.344 10.670 0.276 1.00 0.00 C ATOM 977 O GLN A 62 -10.207 9.830 0.520 1.00 0.00 O ATOM 978 CB GLN A 62 -8.071 11.945 2.027 1.00 0.00 C ATOM 979 CG GLN A 62 -8.845 11.715 3.342 1.00 0.00 C ATOM 980 CD GLN A 62 -10.316 12.146 3.318 1.00 0.00 C ATOM 981 OE1 GLN A 62 -10.717 13.069 4.020 1.00 0.00 O ATOM 982 NE2 GLN A 62 -11.180 11.467 2.581 1.00 0.00 N ATOM 0 H GLN A 62 -6.251 11.347 0.406 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.091 9.833 1.809 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.039 12.215 2.253 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.509 12.784 1.487 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.798 10.655 3.592 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.338 12.254 4.142 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.856 10.698 1.994 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -12.170 11.713 2.600 1.00 0.00 H new ATOM 991 N GLN A 63 -9.458 11.586 -0.687 1.00 0.00 N ATOM 992 CA GLN A 63 -10.652 11.722 -1.505 1.00 0.00 C ATOM 993 C GLN A 63 -10.971 10.394 -2.188 1.00 0.00 C ATOM 994 O GLN A 63 -12.106 9.915 -2.133 1.00 0.00 O ATOM 995 CB GLN A 63 -10.440 12.831 -2.548 1.00 0.00 C ATOM 996 CG GLN A 63 -11.774 13.368 -3.086 1.00 0.00 C ATOM 997 CD GLN A 63 -12.437 14.346 -2.122 1.00 0.00 C ATOM 998 OE1 GLN A 63 -13.173 13.943 -1.220 1.00 0.00 O ATOM 999 NE2 GLN A 63 -12.202 15.632 -2.297 1.00 0.00 N ATOM 0 H GLN A 63 -8.721 12.253 -0.918 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.496 11.994 -0.871 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.873 13.647 -2.101 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.844 12.444 -3.374 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -11.604 13.863 -4.042 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -12.449 12.533 -3.274 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -11.589 15.940 -3.051 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.634 16.318 -1.678 1.00 0.00 H new ATOM 1008 N LEU A 64 -9.970 9.818 -2.853 1.00 0.00 N ATOM 1009 CA LEU A 64 -10.090 8.637 -3.699 1.00 0.00 C ATOM 1010 C LEU A 64 -10.582 7.456 -2.859 1.00 0.00 C ATOM 1011 O LEU A 64 -11.469 6.731 -3.305 1.00 0.00 O ATOM 1012 CB LEU A 64 -8.726 8.357 -4.365 1.00 0.00 C ATOM 1013 CG LEU A 64 -8.477 6.907 -4.832 1.00 0.00 C ATOM 1014 CD1 LEU A 64 -9.371 6.539 -6.019 1.00 0.00 C ATOM 1015 CD2 LEU A 64 -7.010 6.723 -5.238 1.00 0.00 C ATOM 0 H LEU A 64 -9.016 10.178 -2.814 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.821 8.799 -4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.625 9.016 -5.227 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.939 8.629 -3.661 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.717 6.250 -3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.169 5.511 -6.322 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.418 6.633 -5.729 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.164 7.210 -6.852 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.849 5.696 -5.565 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.770 7.405 -6.053 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.367 6.937 -4.385 1.00 0.00 H new ATOM 1027 N THR A 65 -10.020 7.243 -1.666 1.00 0.00 N ATOM 1028 CA THR A 65 -10.300 6.049 -0.873 1.00 0.00 C ATOM 1029 C THR A 65 -11.304 6.360 0.242 1.00 0.00 C ATOM 1030 O THR A 65 -12.432 5.869 0.219 1.00 0.00 O ATOM 1031 CB THR A 65 -8.991 5.419 -0.367 1.00 0.00 C ATOM 1032 OG1 THR A 65 -8.231 6.303 0.438 1.00 0.00 O ATOM 1033 CG2 THR A 65 -8.075 4.938 -1.492 1.00 0.00 C ATOM 0 H THR A 65 -9.364 7.889 -1.228 1.00 0.00 H new ATOM 0 HA THR A 65 -10.776 5.298 -1.504 1.00 0.00 H new ATOM 0 HB THR A 65 -9.329 4.566 0.222 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.990 7.096 -0.085 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.171 4.505 -1.065 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.593 4.185 -2.086 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.808 5.781 -2.129 1.00 0.00 H new ATOM 1041 N GLY A 66 -10.921 7.203 1.196 1.00 0.00 N ATOM 1042 CA GLY A 66 -11.650 7.525 2.416 1.00 0.00 C ATOM 1043 C GLY A 66 -10.710 7.657 3.617 1.00 0.00 C ATOM 1044 O GLY A 66 -11.158 8.029 4.702 1.00 0.00 O ATOM 0 H GLY A 66 -10.038 7.710 1.133 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -12.198 8.457 2.278 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -12.388 6.748 2.615 1.00 0.00 H new ATOM 1048 N ALA A 67 -9.410 7.388 3.462 1.00 0.00 N ATOM 1049 CA ALA A 67 -8.400 7.688 4.463 1.00 0.00 C ATOM 1050 C ALA A 67 -7.108 8.069 3.767 1.00 0.00 C ATOM 1051 O ALA A 67 -6.888 7.700 2.611 1.00 0.00 O ATOM 1052 CB ALA A 67 -8.175 6.487 5.384 1.00 0.00 C ATOM 0 H ALA A 67 -9.031 6.949 2.623 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.742 8.521 5.077 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.415 6.734 6.125 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.107 6.237 5.890 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.842 5.633 4.794 1.00 0.00 H new ATOM 1058 N ARG A 68 -6.248 8.792 4.479 1.00 0.00 N ATOM 1059 CA ARG A 68 -5.019 9.320 3.904 1.00 0.00 C ATOM 1060 C ARG A 68 -3.789 8.781 4.597 1.00 0.00 C ATOM 1061 O ARG A 68 -2.746 8.713 3.960 1.00 0.00 O ATOM 1062 CB ARG A 68 -5.062 10.855 3.900 1.00 0.00 C ATOM 1063 CG ARG A 68 -4.397 11.608 5.063 1.00 0.00 C ATOM 1064 CD ARG A 68 -4.757 13.092 4.936 1.00 0.00 C ATOM 1065 NE ARG A 68 -3.720 14.009 5.439 1.00 0.00 N ATOM 1066 CZ ARG A 68 -3.768 15.337 5.231 1.00 0.00 C ATOM 1067 NH1 ARG A 68 -4.796 15.879 4.584 1.00 0.00 N ATOM 1068 NH2 ARG A 68 -2.788 16.132 5.649 1.00 0.00 N ATOM 0 H ARG A 68 -6.383 9.026 5.463 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.948 8.980 2.871 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.599 11.198 2.975 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.109 11.158 3.864 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.741 11.213 6.019 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.316 11.475 5.034 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.950 13.319 3.888 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.684 13.277 5.478 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.936 13.622 5.965 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.553 15.287 4.243 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.827 16.887 4.429 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.983 15.737 6.136 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.841 17.137 5.483 1.00 0.00 H new ATOM 1082 N THR A 69 -3.883 8.442 5.882 1.00 0.00 N ATOM 1083 CA THR A 69 -2.691 8.301 6.698 1.00 0.00 C ATOM 1084 C THR A 69 -1.821 7.192 6.121 1.00 0.00 C ATOM 1085 O THR A 69 -2.322 6.115 5.804 1.00 0.00 O ATOM 1086 CB THR A 69 -3.112 8.014 8.141 1.00 0.00 C ATOM 1087 OG1 THR A 69 -4.152 7.048 8.173 1.00 0.00 O ATOM 1088 CG2 THR A 69 -3.662 9.282 8.800 1.00 0.00 C ATOM 0 H THR A 69 -4.761 8.263 6.370 1.00 0.00 H new ATOM 0 HA THR A 69 -2.102 9.218 6.696 1.00 0.00 H new ATOM 0 HB THR A 69 -2.230 7.652 8.670 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.409 6.874 9.103 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.957 9.060 9.826 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.892 10.054 8.802 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.529 9.636 8.242 1.00 0.00 H new ATOM 1096 N VAL A 70 -0.527 7.440 5.982 1.00 0.00 N ATOM 1097 CA VAL A 70 0.339 6.496 5.286 1.00 0.00 C ATOM 1098 C VAL A 70 0.783 5.409 6.268 1.00 0.00 C ATOM 1099 O VAL A 70 0.733 5.620 7.488 1.00 0.00 O ATOM 1100 CB VAL A 70 1.509 7.195 4.556 1.00 0.00 C ATOM 1101 CG1 VAL A 70 1.127 7.437 3.091 1.00 0.00 C ATOM 1102 CG2 VAL A 70 1.893 8.538 5.189 1.00 0.00 C ATOM 0 H VAL A 70 -0.057 8.274 6.336 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.222 6.014 4.485 1.00 0.00 H new ATOM 0 HB VAL A 70 2.370 6.532 4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.952 7.930 2.577 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.916 6.483 2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.241 8.070 3.046 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.720 8.980 4.632 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.036 9.211 5.162 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.196 8.379 6.224 1.00 0.00 H new ATOM 1112 N PRO A 71 1.235 4.243 5.777 1.00 0.00 N ATOM 1113 CA PRO A 71 1.215 3.802 4.381 1.00 0.00 C ATOM 1114 C PRO A 71 -0.219 3.591 3.889 1.00 0.00 C ATOM 1115 O PRO A 71 -1.146 3.598 4.689 1.00 0.00 O ATOM 1116 CB PRO A 71 1.995 2.485 4.364 1.00 0.00 C ATOM 1117 CG PRO A 71 1.794 1.939 5.771 1.00 0.00 C ATOM 1118 CD PRO A 71 1.700 3.182 6.636 1.00 0.00 C ATOM 0 HA PRO A 71 1.657 4.546 3.718 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.611 1.800 3.608 1.00 0.00 H new ATOM 0 HB3 PRO A 71 3.050 2.645 4.142 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.889 1.335 5.840 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.625 1.303 6.075 1.00 0.00 H new ATOM 0 HD2 PRO A 71 1.012 3.026 7.467 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.670 3.429 7.068 1.00 0.00 H new ATOM 1126 N ARG A 72 -0.421 3.377 2.589 1.00 0.00 N ATOM 1127 CA ARG A 72 -1.728 3.013 2.035 1.00 0.00 C ATOM 1128 C ARG A 72 -1.506 1.798 1.149 1.00 0.00 C ATOM 1129 O ARG A 72 -0.978 1.956 0.047 1.00 0.00 O ATOM 1130 CB ARG A 72 -2.367 4.193 1.269 1.00 0.00 C ATOM 1131 CG ARG A 72 -2.618 5.467 2.100 1.00 0.00 C ATOM 1132 CD ARG A 72 -3.695 5.325 3.183 1.00 0.00 C ATOM 1133 NE ARG A 72 -5.056 5.276 2.625 1.00 0.00 N ATOM 1134 CZ ARG A 72 -6.070 4.514 3.045 1.00 0.00 C ATOM 1135 NH1 ARG A 72 -5.991 3.780 4.148 1.00 0.00 N ATOM 1136 NH2 ARG A 72 -7.194 4.515 2.350 1.00 0.00 N ATOM 0 H ARG A 72 0.317 3.451 1.888 1.00 0.00 H new ATOM 0 HA ARG A 72 -2.435 2.772 2.829 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.722 4.450 0.429 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.317 3.860 0.851 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.683 5.765 2.574 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.905 6.274 1.425 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.509 4.418 3.758 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.621 6.163 3.876 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.245 5.890 1.833 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.136 3.786 4.705 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.785 3.210 4.439 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.275 5.090 1.511 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.981 3.941 2.652 1.00 0.00 H new ATOM 1150 N VAL A 73 -1.810 0.595 1.641 1.00 0.00 N ATOM 1151 CA VAL A 73 -1.697 -0.630 0.852 1.00 0.00 C ATOM 1152 C VAL A 73 -2.910 -0.706 -0.077 1.00 0.00 C ATOM 1153 O VAL A 73 -4.045 -0.635 0.393 1.00 0.00 O ATOM 1154 CB VAL A 73 -1.630 -1.867 1.777 1.00 0.00 C ATOM 1155 CG1 VAL A 73 -1.794 -3.184 0.987 1.00 0.00 C ATOM 1156 CG2 VAL A 73 -0.339 -1.930 2.609 1.00 0.00 C ATOM 0 H VAL A 73 -2.140 0.445 2.594 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.780 -0.617 0.263 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.467 -1.754 2.466 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.741 -4.029 1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.760 -3.187 0.481 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.997 -3.267 0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.354 -2.821 3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.522 -1.970 1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.269 -1.043 3.239 1.00 0.00 H new ATOM 1166 N PHE A 74 -2.675 -0.927 -1.371 1.00 0.00 N ATOM 1167 CA PHE A 74 -3.656 -1.276 -2.387 1.00 0.00 C ATOM 1168 C PHE A 74 -3.329 -2.692 -2.852 1.00 0.00 C ATOM 1169 O PHE A 74 -2.369 -2.896 -3.595 1.00 0.00 O ATOM 1170 CB PHE A 74 -3.617 -0.295 -3.569 1.00 0.00 C ATOM 1171 CG PHE A 74 -4.166 1.094 -3.305 1.00 0.00 C ATOM 1172 CD1 PHE A 74 -3.400 2.035 -2.592 1.00 0.00 C ATOM 1173 CD2 PHE A 74 -5.419 1.473 -3.828 1.00 0.00 C ATOM 1174 CE1 PHE A 74 -3.883 3.342 -2.403 1.00 0.00 C ATOM 1175 CE2 PHE A 74 -5.890 2.787 -3.662 1.00 0.00 C ATOM 1176 CZ PHE A 74 -5.120 3.723 -2.951 1.00 0.00 C ATOM 0 H PHE A 74 -1.733 -0.862 -1.757 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.663 -1.221 -1.973 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -2.583 -0.198 -3.899 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -4.176 -0.733 -4.396 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.439 1.753 -2.189 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.020 0.750 -4.359 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.302 4.054 -1.836 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.843 3.077 -4.080 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.478 4.734 -2.826 1.00 0.00 H new ATOM 1186 N ILE A 75 -4.120 -3.670 -2.421 1.00 0.00 N ATOM 1187 CA ILE A 75 -4.089 -5.029 -2.940 1.00 0.00 C ATOM 1188 C ILE A 75 -4.978 -4.971 -4.198 1.00 0.00 C ATOM 1189 O ILE A 75 -6.194 -4.856 -4.094 1.00 0.00 O ATOM 1190 CB ILE A 75 -4.490 -6.021 -1.806 1.00 0.00 C ATOM 1191 CG1 ILE A 75 -3.276 -6.780 -1.222 1.00 0.00 C ATOM 1192 CG2 ILE A 75 -5.462 -7.115 -2.251 1.00 0.00 C ATOM 1193 CD1 ILE A 75 -2.393 -5.993 -0.285 1.00 0.00 C ATOM 0 H ILE A 75 -4.814 -3.535 -1.686 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.115 -5.411 -3.245 1.00 0.00 H new ATOM 0 HB ILE A 75 -4.957 -5.367 -1.070 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.643 -7.659 -0.692 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.665 -7.139 -2.050 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.692 -7.764 -1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.381 -6.658 -2.618 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.007 -7.704 -3.047 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.576 -6.625 0.062 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.986 -5.128 -0.809 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.979 -5.656 0.570 1.00 0.00 H new ATOM 1205 N GLY A 76 -4.381 -4.942 -5.395 1.00 0.00 N ATOM 1206 CA GLY A 76 -5.083 -4.932 -6.682 1.00 0.00 C ATOM 1207 C GLY A 76 -6.182 -3.869 -6.756 1.00 0.00 C ATOM 1208 O GLY A 76 -7.363 -4.189 -6.905 1.00 0.00 O ATOM 0 H GLY A 76 -3.366 -4.924 -5.497 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.363 -4.758 -7.481 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.523 -5.914 -6.857 1.00 0.00 H new ATOM 1212 N LYS A 77 -5.783 -2.594 -6.694 1.00 0.00 N ATOM 1213 CA LYS A 77 -6.612 -1.408 -6.515 1.00 0.00 C ATOM 1214 C LYS A 77 -7.671 -1.455 -5.414 1.00 0.00 C ATOM 1215 O LYS A 77 -8.506 -0.557 -5.369 1.00 0.00 O ATOM 1216 CB LYS A 77 -7.230 -1.004 -7.865 1.00 0.00 C ATOM 1217 CG LYS A 77 -7.103 0.501 -8.130 1.00 0.00 C ATOM 1218 CD LYS A 77 -8.358 1.049 -8.826 1.00 0.00 C ATOM 1219 CE LYS A 77 -9.487 1.271 -7.804 1.00 0.00 C ATOM 1220 NZ LYS A 77 -10.829 1.301 -8.417 1.00 0.00 N ATOM 0 H LYS A 77 -4.796 -2.351 -6.774 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.923 -0.647 -6.149 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.740 -1.556 -8.667 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.283 -1.287 -7.881 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.947 1.027 -7.188 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.227 0.691 -8.750 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.123 1.988 -9.327 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.688 0.351 -9.596 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -9.453 0.478 -7.057 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.313 2.210 -7.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.545 1.453 -7.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.877 2.075 -9.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.012 0.396 -8.895 1.00 0.00 H new ATOM 1234 N ASP A 78 -7.650 -2.415 -4.504 1.00 0.00 N ATOM 1235 CA ASP A 78 -8.495 -2.409 -3.317 1.00 0.00 C ATOM 1236 C ASP A 78 -7.637 -1.939 -2.152 1.00 0.00 C ATOM 1237 O ASP A 78 -6.732 -2.656 -1.713 1.00 0.00 O ATOM 1238 CB ASP A 78 -9.080 -3.802 -3.095 1.00 0.00 C ATOM 1239 CG ASP A 78 -10.240 -3.818 -2.106 1.00 0.00 C ATOM 1240 OD1 ASP A 78 -10.434 -2.855 -1.332 1.00 0.00 O ATOM 1241 OD2 ASP A 78 -10.991 -4.815 -2.155 1.00 0.00 O ATOM 0 H ASP A 78 -7.040 -3.230 -4.568 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.343 -1.732 -3.425 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.420 -4.202 -4.050 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.294 -4.465 -2.733 1.00 0.00 H new ATOM 1246 N CYS A 79 -7.809 -0.684 -1.731 1.00 0.00 N ATOM 1247 CA CYS A 79 -7.082 -0.171 -0.585 1.00 0.00 C ATOM 1248 C CYS A 79 -7.602 -0.875 0.667 1.00 0.00 C ATOM 1249 O CYS A 79 -8.784 -0.759 1.008 1.00 0.00 O ATOM 1250 CB CYS A 79 -7.151 1.356 -0.501 1.00 0.00 C ATOM 1251 SG CYS A 79 -5.862 1.954 0.629 1.00 0.00 S ATOM 0 H CYS A 79 -8.442 -0.014 -2.168 1.00 0.00 H new ATOM 0 HA CYS A 79 -6.019 -0.390 -0.686 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -7.014 1.793 -1.490 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.134 1.668 -0.148 1.00 0.00 H new ATOM 0 HG CYS A 79 -4.920 1.063 0.723 1.00 0.00 H new ATOM 1257 N ILE A 80 -6.732 -1.623 1.342 1.00 0.00 N ATOM 1258 CA ILE A 80 -7.082 -2.394 2.524 1.00 0.00 C ATOM 1259 C ILE A 80 -7.041 -1.515 3.771 1.00 0.00 C ATOM 1260 O ILE A 80 -7.770 -1.764 4.731 1.00 0.00 O ATOM 1261 CB ILE A 80 -6.197 -3.654 2.602 1.00 0.00 C ATOM 1262 CG1 ILE A 80 -4.751 -3.356 3.025 1.00 0.00 C ATOM 1263 CG2 ILE A 80 -6.195 -4.424 1.270 1.00 0.00 C ATOM 1264 CD1 ILE A 80 -4.566 -3.400 4.541 1.00 0.00 C ATOM 0 H ILE A 80 -5.751 -1.709 1.076 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.111 -2.747 2.457 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.644 -4.274 3.379 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.083 -4.080 2.559 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.463 -2.372 2.655 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.561 -5.306 1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.212 -4.731 1.026 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.810 -3.781 0.478 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.527 -3.183 4.787 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.213 -2.657 5.008 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.827 -4.392 4.911 1.00 0.00 H new ATOM 1276 N GLY A 81 -6.242 -0.451 3.734 1.00 0.00 N ATOM 1277 CA GLY A 81 -6.064 0.449 4.847 1.00 0.00 C ATOM 1278 C GLY A 81 -4.613 0.873 5.011 1.00 0.00 C ATOM 1279 O GLY A 81 -3.764 0.615 4.145 1.00 0.00 O ATOM 0 H GLY A 81 -5.696 -0.195 2.912 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.686 1.333 4.702 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.406 -0.034 5.762 1.00 0.00 H new ATOM 1283 N GLY A 82 -4.366 1.555 6.129 1.00 0.00 N ATOM 1284 CA GLY A 82 -3.052 1.966 6.591 1.00 0.00 C ATOM 1285 C GLY A 82 -2.436 0.926 7.512 1.00 0.00 C ATOM 1286 O GLY A 82 -2.920 -0.204 7.578 1.00 0.00 O ATOM 0 H GLY A 82 -5.112 1.846 6.761 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.398 2.128 5.734 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.131 2.918 7.116 1.00 0.00 H new ATOM 1290 N CYS A 83 -1.333 1.265 8.189 1.00 0.00 N ATOM 1291 CA CYS A 83 -0.553 0.294 8.940 1.00 0.00 C ATOM 1292 C CYS A 83 -1.382 -0.291 10.080 1.00 0.00 C ATOM 1293 O CYS A 83 -1.284 -1.492 10.337 1.00 0.00 O ATOM 1294 CB CYS A 83 0.781 0.882 9.434 1.00 0.00 C ATOM 1295 SG CYS A 83 0.568 2.368 10.456 1.00 0.00 S ATOM 0 H CYS A 83 -0.964 2.215 8.227 1.00 0.00 H new ATOM 0 HA CYS A 83 -0.293 -0.521 8.265 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.314 0.125 10.010 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.405 1.126 8.574 1.00 0.00 H new ATOM 0 HG CYS A 83 1.703 2.681 11.008 1.00 0.00 H new ATOM 1301 N SER A 84 -2.211 0.521 10.739 1.00 0.00 N ATOM 1302 CA SER A 84 -2.988 0.047 11.866 1.00 0.00 C ATOM 1303 C SER A 84 -4.087 -0.927 11.430 1.00 0.00 C ATOM 1304 O SER A 84 -4.414 -1.846 12.175 1.00 0.00 O ATOM 1305 CB SER A 84 -3.572 1.229 12.639 1.00 0.00 C ATOM 1306 OG SER A 84 -2.540 2.101 13.067 1.00 0.00 O ATOM 0 H SER A 84 -2.355 1.504 10.507 1.00 0.00 H new ATOM 0 HA SER A 84 -2.319 -0.505 12.527 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.276 1.771 12.008 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.131 0.866 13.502 1.00 0.00 H new ATOM 0 HG SER A 84 -2.930 2.853 13.559 1.00 0.00 H new ATOM 1312 N ASP A 85 -4.642 -0.766 10.228 1.00 0.00 N ATOM 1313 CA ASP A 85 -5.605 -1.716 9.667 1.00 0.00 C ATOM 1314 C ASP A 85 -4.857 -2.964 9.217 1.00 0.00 C ATOM 1315 O ASP A 85 -5.200 -4.077 9.606 1.00 0.00 O ATOM 1316 CB ASP A 85 -6.384 -1.076 8.506 1.00 0.00 C ATOM 1317 CG ASP A 85 -7.570 -0.283 9.046 1.00 0.00 C ATOM 1318 OD1 ASP A 85 -8.580 -0.892 9.473 1.00 0.00 O ATOM 1319 OD2 ASP A 85 -7.445 0.958 9.174 1.00 0.00 O ATOM 0 H ASP A 85 -4.438 0.025 9.617 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.335 -1.995 10.426 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.727 -0.420 7.935 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.734 -1.849 7.823 1.00 0.00 H new ATOM 1324 N LEU A 86 -3.780 -2.773 8.455 1.00 0.00 N ATOM 1325 CA LEU A 86 -2.931 -3.815 7.894 1.00 0.00 C ATOM 1326 C LEU A 86 -2.436 -4.802 8.951 1.00 0.00 C ATOM 1327 O LEU A 86 -2.313 -5.984 8.636 1.00 0.00 O ATOM 1328 CB LEU A 86 -1.752 -3.137 7.183 1.00 0.00 C ATOM 1329 CG LEU A 86 -0.732 -4.095 6.547 1.00 0.00 C ATOM 1330 CD1 LEU A 86 -1.308 -4.887 5.372 1.00 0.00 C ATOM 1331 CD2 LEU A 86 0.457 -3.264 6.067 1.00 0.00 C ATOM 0 H LEU A 86 -3.463 -1.837 8.201 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.517 -4.404 7.188 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.145 -2.482 6.405 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.232 -2.503 7.901 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.437 -4.826 7.300 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.540 -5.545 4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.153 -5.484 5.715 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.642 -4.197 4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.198 -3.920 5.610 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.117 -2.533 5.333 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.905 -2.746 6.915 1.00 0.00 H new ATOM 1343 N VAL A 87 -2.166 -4.358 10.186 1.00 0.00 N ATOM 1344 CA VAL A 87 -1.823 -5.232 11.284 1.00 0.00 C ATOM 1345 C VAL A 87 -2.927 -6.275 11.459 1.00 0.00 C ATOM 1346 O VAL A 87 -2.591 -7.453 11.478 1.00 0.00 O ATOM 1347 CB VAL A 87 -1.558 -4.367 12.536 1.00 0.00 C ATOM 1348 CG1 VAL A 87 -1.689 -5.157 13.831 1.00 0.00 C ATOM 1349 CG2 VAL A 87 -0.144 -3.768 12.514 1.00 0.00 C ATOM 0 H VAL A 87 -2.183 -3.370 10.439 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.908 -5.793 11.092 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.314 -3.582 12.507 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.493 -4.501 14.679 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.698 -5.560 13.911 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.970 -5.976 13.832 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.010 -3.165 13.409 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.591 -4.572 12.487 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.028 -3.141 11.630 1.00 0.00 H new ATOM 1359 N SER A 88 -4.212 -5.901 11.547 1.00 0.00 N ATOM 1360 CA SER A 88 -5.265 -6.888 11.759 1.00 0.00 C ATOM 1361 C SER A 88 -5.283 -7.808 10.555 1.00 0.00 C ATOM 1362 O SER A 88 -5.397 -9.016 10.729 1.00 0.00 O ATOM 1363 CB SER A 88 -6.665 -6.279 11.817 1.00 0.00 C ATOM 1364 OG SER A 88 -7.187 -6.426 13.121 1.00 0.00 O ATOM 0 H SER A 88 -4.537 -4.937 11.475 1.00 0.00 H new ATOM 0 HA SER A 88 -5.048 -7.380 12.707 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.626 -5.224 11.546 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.317 -6.770 11.095 1.00 0.00 H new ATOM 0 HG SER A 88 -8.084 -6.034 13.160 1.00 0.00 H new ATOM 1370 N LEU A 89 -5.210 -7.267 9.335 1.00 0.00 N ATOM 1371 CA LEU A 89 -5.303 -8.135 8.179 1.00 0.00 C ATOM 1372 C LEU A 89 -4.156 -9.154 8.193 1.00 0.00 C ATOM 1373 O LEU A 89 -4.375 -10.279 7.757 1.00 0.00 O ATOM 1374 CB LEU A 89 -5.390 -7.358 6.860 1.00 0.00 C ATOM 1375 CG LEU A 89 -6.742 -6.675 6.577 1.00 0.00 C ATOM 1376 CD1 LEU A 89 -6.829 -5.259 7.146 1.00 0.00 C ATOM 1377 CD2 LEU A 89 -6.961 -6.648 5.061 1.00 0.00 C ATOM 0 H LEU A 89 -5.092 -6.274 9.135 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.242 -8.684 8.245 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.611 -6.596 6.856 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.171 -8.043 6.041 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.521 -7.251 7.076 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.805 -4.833 6.913 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.696 -5.293 8.227 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.048 -4.641 6.704 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.914 -6.168 4.840 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.154 -6.089 4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.971 -7.668 4.677 1.00 0.00 H new ATOM 1389 N GLN A 90 -2.972 -8.828 8.721 1.00 0.00 N ATOM 1390 CA GLN A 90 -1.930 -9.825 8.921 1.00 0.00 C ATOM 1391 C GLN A 90 -2.366 -10.793 10.042 1.00 0.00 C ATOM 1392 O GLN A 90 -2.483 -11.990 9.803 1.00 0.00 O ATOM 1393 CB GLN A 90 -0.585 -9.143 9.242 1.00 0.00 C ATOM 1394 CG GLN A 90 0.560 -10.173 9.300 1.00 0.00 C ATOM 1395 CD GLN A 90 1.850 -9.587 9.868 1.00 0.00 C ATOM 1396 OE1 GLN A 90 1.871 -9.071 10.977 1.00 0.00 O ATOM 1397 NE2 GLN A 90 2.960 -9.656 9.151 1.00 0.00 N ATOM 0 H GLN A 90 -2.717 -7.885 9.014 1.00 0.00 H new ATOM 0 HA GLN A 90 -1.786 -10.399 8.006 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.364 -8.392 8.483 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.657 -8.621 10.196 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.250 -11.021 9.912 1.00 0.00 H new ATOM 0 HG3 GLN A 90 0.750 -10.556 8.297 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.944 -10.086 8.226 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.832 -9.279 9.523 1.00 0.00 H new ATOM 1406 N GLN A 91 -2.578 -10.290 11.264 1.00 0.00 N ATOM 1407 CA GLN A 91 -2.731 -11.042 12.507 1.00 0.00 C ATOM 1408 C GLN A 91 -3.989 -11.924 12.485 1.00 0.00 C ATOM 1409 O GLN A 91 -3.925 -13.114 12.771 1.00 0.00 O ATOM 1410 CB GLN A 91 -2.772 -10.007 13.655 1.00 0.00 C ATOM 1411 CG GLN A 91 -1.720 -10.208 14.749 1.00 0.00 C ATOM 1412 CD GLN A 91 -2.177 -11.099 15.901 1.00 0.00 C ATOM 1413 OE1 GLN A 91 -1.593 -12.135 16.175 1.00 0.00 O ATOM 1414 NE2 GLN A 91 -3.203 -10.696 16.638 1.00 0.00 N ATOM 0 H GLN A 91 -2.651 -9.284 11.416 1.00 0.00 H new ATOM 0 HA GLN A 91 -1.897 -11.730 12.645 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.646 -9.011 13.230 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -3.760 -10.035 14.114 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.826 -10.642 14.302 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.437 -9.234 15.148 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -3.689 -9.830 16.406 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -3.507 -11.252 17.437 1.00 0.00 H new ATOM 1423 N SER A 92 -5.137 -11.339 12.141 1.00 0.00 N ATOM 1424 CA SER A 92 -6.409 -12.010 11.901 1.00 0.00 C ATOM 1425 C SER A 92 -6.419 -12.750 10.549 1.00 0.00 C ATOM 1426 O SER A 92 -7.404 -13.420 10.235 1.00 0.00 O ATOM 1427 CB SER A 92 -7.541 -10.962 11.970 1.00 0.00 C ATOM 1428 OG SER A 92 -8.321 -11.094 13.144 1.00 0.00 O ATOM 0 H SER A 92 -5.205 -10.329 12.016 1.00 0.00 H new ATOM 0 HA SER A 92 -6.562 -12.768 12.669 1.00 0.00 H new ATOM 0 HB2 SER A 92 -7.110 -9.961 11.933 1.00 0.00 H new ATOM 0 HB3 SER A 92 -8.183 -11.065 11.095 1.00 0.00 H new ATOM 0 HG SER A 92 -9.024 -10.411 13.148 1.00 0.00 H new ATOM 1434 N GLY A 93 -5.363 -12.652 9.737 1.00 0.00 N ATOM 1435 CA GLY A 93 -5.174 -13.454 8.538 1.00 0.00 C ATOM 1436 C GLY A 93 -5.950 -12.980 7.313 1.00 0.00 C ATOM 1437 O GLY A 93 -5.804 -13.601 6.259 1.00 0.00 O ATOM 0 H GLY A 93 -4.601 -11.995 9.904 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.112 -13.468 8.293 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.464 -14.481 8.757 1.00 0.00 H new ATOM 1441 N GLU A 94 -6.747 -11.904 7.395 1.00 0.00 N ATOM 1442 CA GLU A 94 -7.597 -11.494 6.275 1.00 0.00 C ATOM 1443 C GLU A 94 -6.764 -11.170 5.028 1.00 0.00 C ATOM 1444 O GLU A 94 -7.177 -11.442 3.897 1.00 0.00 O ATOM 1445 CB GLU A 94 -8.402 -10.268 6.730 1.00 0.00 C ATOM 1446 CG GLU A 94 -9.486 -9.790 5.756 1.00 0.00 C ATOM 1447 CD GLU A 94 -10.728 -10.675 5.804 1.00 0.00 C ATOM 1448 OE1 GLU A 94 -11.381 -10.751 6.867 1.00 0.00 O ATOM 1449 OE2 GLU A 94 -11.103 -11.272 4.769 1.00 0.00 O ATOM 0 H GLU A 94 -6.818 -11.308 8.220 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.266 -12.309 5.998 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.873 -10.499 7.685 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -7.709 -9.445 6.907 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -9.763 -8.764 5.997 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.085 -9.783 4.742 1.00 0.00 H new ATOM 1456 N LEU A 95 -5.561 -10.625 5.236 1.00 0.00 N ATOM 1457 CA LEU A 95 -4.670 -10.213 4.170 1.00 0.00 C ATOM 1458 C LEU A 95 -4.297 -11.385 3.287 1.00 0.00 C ATOM 1459 O LEU A 95 -4.072 -11.183 2.102 1.00 0.00 O ATOM 1460 CB LEU A 95 -3.368 -9.601 4.713 1.00 0.00 C ATOM 1461 CG LEU A 95 -2.753 -8.612 3.713 1.00 0.00 C ATOM 1462 CD1 LEU A 95 -3.577 -7.327 3.531 1.00 0.00 C ATOM 1463 CD2 LEU A 95 -1.376 -8.230 4.233 1.00 0.00 C ATOM 0 H LEU A 95 -5.182 -10.459 6.168 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.213 -9.463 3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.570 -9.090 5.655 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.653 -10.395 4.928 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.718 -9.104 2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.082 -6.676 2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.572 -7.581 3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.662 -6.811 4.487 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.909 -7.526 3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.474 -7.767 5.215 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.757 -9.123 4.313 1.00 0.00 H new ATOM 1475 N LEU A 96 -4.188 -12.589 3.846 1.00 0.00 N ATOM 1476 CA LEU A 96 -3.686 -13.741 3.117 1.00 0.00 C ATOM 1477 C LEU A 96 -4.689 -14.116 2.031 1.00 0.00 C ATOM 1478 O LEU A 96 -4.277 -14.418 0.908 1.00 0.00 O ATOM 1479 CB LEU A 96 -3.417 -14.917 4.078 1.00 0.00 C ATOM 1480 CG LEU A 96 -2.157 -14.839 4.976 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -0.868 -15.092 4.187 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -1.985 -13.529 5.757 1.00 0.00 C ATOM 0 H LEU A 96 -4.445 -12.788 4.813 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.736 -13.494 2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.286 -15.025 4.728 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.349 -15.828 3.483 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.331 -15.632 5.704 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.012 -15.027 4.858 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.904 -16.085 3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.770 -14.344 3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.074 -13.578 6.353 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.917 -12.695 5.058 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.842 -13.383 6.415 1.00 0.00 H new ATOM 1494 N THR A 97 -5.992 -14.055 2.318 1.00 0.00 N ATOM 1495 CA THR A 97 -7.007 -14.278 1.302 1.00 0.00 C ATOM 1496 C THR A 97 -7.042 -13.070 0.365 1.00 0.00 C ATOM 1497 O THR A 97 -6.960 -13.256 -0.846 1.00 0.00 O ATOM 1498 CB THR A 97 -8.358 -14.532 1.982 1.00 0.00 C ATOM 1499 OG1 THR A 97 -8.200 -15.464 3.039 1.00 0.00 O ATOM 1500 CG2 THR A 97 -9.366 -15.103 0.985 1.00 0.00 C ATOM 0 H THR A 97 -6.362 -13.853 3.247 1.00 0.00 H new ATOM 0 HA THR A 97 -6.775 -15.158 0.703 1.00 0.00 H new ATOM 0 HB THR A 97 -8.724 -13.580 2.367 1.00 0.00 H new ATOM 0 HG1 THR A 97 -9.066 -15.620 3.470 1.00 0.00 H new ATOM 0 HG21 THR A 97 -10.317 -15.276 1.488 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.511 -14.396 0.168 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.990 -16.045 0.587 1.00 0.00 H new ATOM 1508 N ARG A 98 -7.080 -11.838 0.895 1.00 0.00 N ATOM 1509 CA ARG A 98 -7.084 -10.610 0.090 1.00 0.00 C ATOM 1510 C ARG A 98 -5.950 -10.599 -0.935 1.00 0.00 C ATOM 1511 O ARG A 98 -6.153 -10.181 -2.070 1.00 0.00 O ATOM 1512 CB ARG A 98 -7.034 -9.380 1.025 1.00 0.00 C ATOM 1513 CG ARG A 98 -8.382 -8.647 1.098 1.00 0.00 C ATOM 1514 CD ARG A 98 -8.526 -7.585 -0.008 1.00 0.00 C ATOM 1515 NE ARG A 98 -9.909 -7.489 -0.530 1.00 0.00 N ATOM 1516 CZ ARG A 98 -11.038 -7.209 0.145 1.00 0.00 C ATOM 1517 NH1 ARG A 98 -11.029 -6.861 1.423 1.00 0.00 N ATOM 1518 NH2 ARG A 98 -12.218 -7.277 -0.453 1.00 0.00 N ATOM 0 H ARG A 98 -7.109 -11.666 1.900 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.009 -10.570 -0.485 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.742 -9.699 2.026 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.267 -8.690 0.673 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.193 -9.371 1.012 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.482 -8.170 2.073 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.221 -6.614 0.384 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.848 -7.825 -0.827 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.019 -7.657 -1.530 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.145 -6.798 1.928 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.906 -6.656 1.902 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -12.277 -7.544 -1.436 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -13.068 -7.062 0.069 1.00 0.00 H new ATOM 1532 N LEU A 99 -4.762 -11.065 -0.561 1.00 0.00 N ATOM 1533 CA LEU A 99 -3.627 -11.224 -1.450 1.00 0.00 C ATOM 1534 C LEU A 99 -3.905 -12.301 -2.482 1.00 0.00 C ATOM 1535 O LEU A 99 -3.796 -12.019 -3.673 1.00 0.00 O ATOM 1536 CB LEU A 99 -2.380 -11.545 -0.602 1.00 0.00 C ATOM 1537 CG LEU A 99 -1.764 -10.308 0.069 1.00 0.00 C ATOM 1538 CD1 LEU A 99 -0.849 -10.739 1.219 1.00 0.00 C ATOM 1539 CD2 LEU A 99 -0.952 -9.501 -0.947 1.00 0.00 C ATOM 0 H LEU A 99 -4.562 -11.349 0.398 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.448 -10.301 -2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.649 -12.270 0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.630 -12.017 -1.237 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.571 -9.687 0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.416 -9.856 1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.428 -11.296 1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.051 -11.372 0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.522 -8.628 -0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.152 -10.122 -1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.603 -9.178 -1.759 1.00 0.00 H new ATOM 1551 N LYS A 100 -4.231 -13.532 -2.085 1.00 0.00 N ATOM 1552 CA LYS A 100 -4.489 -14.587 -3.068 1.00 0.00 C ATOM 1553 C LYS A 100 -5.636 -14.247 -4.016 1.00 0.00 C ATOM 1554 O LYS A 100 -5.595 -14.700 -5.160 1.00 0.00 O ATOM 1555 CB LYS A 100 -4.685 -15.942 -2.371 1.00 0.00 C ATOM 1556 CG LYS A 100 -3.382 -16.770 -2.407 1.00 0.00 C ATOM 1557 CD LYS A 100 -3.562 -18.168 -3.042 1.00 0.00 C ATOM 1558 CE LYS A 100 -2.248 -18.970 -2.975 1.00 0.00 C ATOM 1559 NZ LYS A 100 -1.949 -19.773 -4.182 1.00 0.00 N ATOM 0 H LYS A 100 -4.322 -13.820 -1.111 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.605 -14.664 -3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.992 -15.783 -1.337 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.487 -16.495 -2.860 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.625 -16.219 -2.966 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.006 -16.886 -1.391 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.352 -18.710 -2.522 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.878 -18.063 -4.080 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.424 -18.277 -2.803 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.289 -19.636 -2.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.919 -19.841 -4.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.348 -20.727 -4.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.370 -19.316 -5.016 1.00 0.00 H new ATOM 1573 N GLN A 101 -6.565 -13.379 -3.619 1.00 0.00 N ATOM 1574 CA GLN A 101 -7.578 -12.799 -4.484 1.00 0.00 C ATOM 1575 C GLN A 101 -6.946 -12.256 -5.770 1.00 0.00 C ATOM 1576 O GLN A 101 -7.515 -12.434 -6.848 1.00 0.00 O ATOM 1577 CB GLN A 101 -8.302 -11.662 -3.741 1.00 0.00 C ATOM 1578 CG GLN A 101 -9.771 -11.505 -4.157 1.00 0.00 C ATOM 1579 CD GLN A 101 -10.727 -12.174 -3.165 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -10.383 -13.117 -2.456 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -11.937 -11.662 -3.039 1.00 0.00 N ATOM 0 H GLN A 101 -6.631 -13.053 -2.655 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.294 -13.576 -4.752 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.253 -11.849 -2.668 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.777 -10.725 -3.925 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -10.014 -10.445 -4.235 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.915 -11.938 -5.147 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -12.223 -10.879 -3.627 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -12.586 -12.049 -2.354 1.00 0.00 H new ATOM 1590 N ILE A 102 -5.784 -11.590 -5.683 1.00 0.00 N ATOM 1591 CA ILE A 102 -5.176 -10.919 -6.834 1.00 0.00 C ATOM 1592 C ILE A 102 -4.115 -11.782 -7.537 1.00 0.00 C ATOM 1593 O ILE A 102 -3.581 -11.356 -8.560 1.00 0.00 O ATOM 1594 CB ILE A 102 -4.663 -9.512 -6.445 1.00 0.00 C ATOM 1595 CG1 ILE A 102 -3.427 -9.489 -5.539 1.00 0.00 C ATOM 1596 CG2 ILE A 102 -5.723 -8.720 -5.697 1.00 0.00 C ATOM 1597 CD1 ILE A 102 -2.359 -8.505 -6.019 1.00 0.00 C ATOM 0 H ILE A 102 -5.247 -11.504 -4.820 1.00 0.00 H new ATOM 0 HA ILE A 102 -5.957 -10.777 -7.581 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.405 -9.078 -7.411 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.730 -9.224 -4.526 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -2.998 -10.490 -5.492 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.329 -7.737 -5.439 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.604 -8.603 -6.329 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.998 -9.251 -4.786 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.508 -8.532 -5.339 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.032 -8.783 -7.021 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -2.775 -7.498 -6.040 1.00 0.00 H new ATOM 1609 N GLY A 103 -3.827 -12.993 -7.045 1.00 0.00 N ATOM 1610 CA GLY A 103 -2.777 -13.853 -7.585 1.00 0.00 C ATOM 1611 C GLY A 103 -1.428 -13.519 -6.954 1.00 0.00 C ATOM 1612 O GLY A 103 -0.512 -13.103 -7.653 1.00 0.00 O ATOM 0 H GLY A 103 -4.323 -13.404 -6.254 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.023 -14.898 -7.397 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.719 -13.729 -8.666 1.00 0.00 H new ATOM 1616 N ALA A 104 -1.319 -13.646 -5.629 1.00 0.00 N ATOM 1617 CA ALA A 104 -0.178 -13.213 -4.829 1.00 0.00 C ATOM 1618 C ALA A 104 0.526 -14.373 -4.150 1.00 0.00 C ATOM 1619 O ALA A 104 1.657 -14.652 -4.518 1.00 0.00 O ATOM 1620 CB ALA A 104 -0.692 -12.266 -3.755 1.00 0.00 C ATOM 0 H ALA A 104 -2.055 -14.071 -5.065 1.00 0.00 H new ATOM 0 HA ALA A 104 0.541 -12.732 -5.492 1.00 0.00 H new ATOM 0 HB1 ALA A 104 0.142 -11.926 -3.141 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -1.170 -11.407 -4.226 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.416 -12.786 -3.128 1.00 0.00 H new ATOM 1626 N LEU A 105 -0.028 -15.001 -3.104 1.00 0.00 N ATOM 1627 CA LEU A 105 0.671 -16.115 -2.511 1.00 0.00 C ATOM 1628 C LEU A 105 0.764 -17.179 -3.599 1.00 0.00 C ATOM 1629 O LEU A 105 -0.174 -17.336 -4.390 1.00 0.00 O ATOM 1630 CB LEU A 105 0.031 -16.588 -1.204 1.00 0.00 C ATOM 1631 CG LEU A 105 -0.668 -15.548 -0.305 1.00 0.00 C ATOM 1632 CD1 LEU A 105 -1.239 -16.270 0.915 1.00 0.00 C ATOM 1633 CD2 LEU A 105 0.269 -14.437 0.178 1.00 0.00 C ATOM 0 H LEU A 105 -0.922 -14.760 -2.675 1.00 0.00 H new ATOM 0 HA LEU A 105 1.674 -15.835 -2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.702 -17.356 -1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.808 -17.070 -0.610 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.446 -15.074 -0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.738 -15.550 1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.957 -17.023 0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.430 -16.753 1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.286 -13.740 0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.084 -14.874 0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.677 -13.906 -0.682 1.00 0.00 H new ATOM 1645 N GLN A 106 1.941 -17.771 -3.728 1.00 0.00 N ATOM 1646 CA GLN A 106 2.375 -18.346 -4.987 1.00 0.00 C ATOM 1647 C GLN A 106 1.891 -19.792 -5.134 1.00 0.00 C ATOM 1648 O GLN A 106 2.634 -20.582 -5.758 1.00 0.00 O ATOM 1649 CB GLN A 106 3.901 -18.163 -5.089 1.00 0.00 C ATOM 1650 CG GLN A 106 4.399 -18.140 -6.546 1.00 0.00 C ATOM 1651 CD GLN A 106 5.582 -19.076 -6.743 1.00 0.00 C ATOM 1652 OE1 GLN A 106 6.719 -18.637 -6.927 1.00 0.00 O ATOM 1653 NE2 GLN A 106 5.335 -20.372 -6.653 1.00 0.00 N ATOM 1654 OXT GLN A 106 0.757 -20.099 -4.696 1.00 0.00 O ATOM 0 H GLN A 106 2.616 -17.865 -2.969 1.00 0.00 H new ATOM 0 HA GLN A 106 1.924 -17.831 -5.835 1.00 0.00 H new ATOM 0 HB2 GLN A 106 4.185 -17.233 -4.597 1.00 0.00 H new ATOM 0 HB3 GLN A 106 4.397 -18.972 -4.552 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.588 -18.431 -7.214 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.687 -17.125 -6.818 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.381 -20.700 -6.500 1.00 0.00 H new ATOM 0 HE22 GLN A 106 6.098 -21.044 -6.736 1.00 0.00 H new