USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 600 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 36 LYS NZ :NH3+ -179:sc= 1.39 (180deg=0.684) USER MOD Set 1.2: A 63 TYR OH : rot 150:sc= 0.257 USER MOD Set 2.1: A 43 LYS NZ :NH3+ 169:sc= 0.99 (180deg=0.859) USER MOD Set 2.2: A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -98:sc= 0.37! USER MOD Single : A 13 GLN : amide:sc= -0.382 X(o=-0.38,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.142 K(o=-0.14,f=-2.4!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.193 K(o=-0.19,f=-1.6!) USER MOD Single : A 33 THR OG1 : rot -110:sc= -2.96 USER MOD Single : A 35 ASN : amide:sc=-0.00243 X(o=-0.0024,f=0) USER MOD Single : A 41 CYS SG : rot 18:sc= -7.59! USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -125:sc= 1.12 USER MOD Single : A 58 TYR OH : rot -79:sc= -0.864! USER MOD Single : A 59 GLN : amide:sc= -5.86! C(o=-5.9!,f=-7.9!) USER MOD Single : A 61 TYR OH : rot 180:sc= -3.22! USER MOD Single : A 65 SER OG : rot 180:sc= 0.0107 USER MOD Single : A 67 LYS NZ :NH3+ -133:sc= -2.99 (180deg=-5.14!) USER MOD Single : A 74 SER OG : rot 180:sc=-0.00176 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.231 X(o=-0.23,f=-0.054) USER MOD ----------------------------------------------------------------- ATOM 10 N GLU A 2 -9.472 8.211 -6.031 1.00 0.00 N ATOM 11 CA GLU A 2 -8.547 9.231 -5.458 1.00 0.00 C ATOM 12 C GLU A 2 -7.119 8.682 -5.412 1.00 0.00 C ATOM 13 O GLU A 2 -6.865 7.550 -5.777 1.00 0.00 O ATOM 14 CB GLU A 2 -9.069 9.488 -4.044 1.00 0.00 C ATOM 15 CG GLU A 2 -9.269 10.991 -3.839 1.00 0.00 C ATOM 16 CD GLU A 2 -8.794 11.383 -2.438 1.00 0.00 C ATOM 17 OE1 GLU A 2 -9.056 10.631 -1.513 1.00 0.00 O ATOM 18 OE2 GLU A 2 -8.177 12.427 -2.314 1.00 0.00 O ATOM 0 HA GLU A 2 -8.517 10.144 -6.053 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -10.011 8.961 -3.891 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.364 9.101 -3.309 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.713 11.549 -4.592 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -10.321 11.249 -3.963 1.00 0.00 H new ATOM 25 N TRP A 3 -6.183 9.474 -4.967 1.00 0.00 N ATOM 26 CA TRP A 3 -4.770 8.999 -4.898 1.00 0.00 C ATOM 27 C TRP A 3 -3.941 9.942 -4.021 1.00 0.00 C ATOM 28 O TRP A 3 -4.215 11.122 -3.933 1.00 0.00 O ATOM 29 CB TRP A 3 -4.272 9.033 -6.342 1.00 0.00 C ATOM 30 CG TRP A 3 -4.586 10.363 -6.947 1.00 0.00 C ATOM 31 CD1 TRP A 3 -3.955 11.521 -6.647 1.00 0.00 C ATOM 32 CD2 TRP A 3 -5.595 10.694 -7.946 1.00 0.00 C ATOM 33 NE1 TRP A 3 -4.511 12.541 -7.397 1.00 0.00 N ATOM 34 CE2 TRP A 3 -5.525 12.081 -8.215 1.00 0.00 C ATOM 35 CE3 TRP A 3 -6.551 9.932 -8.640 1.00 0.00 C ATOM 36 CZ2 TRP A 3 -6.375 12.691 -9.137 1.00 0.00 C ATOM 37 CZ3 TRP A 3 -7.410 10.543 -9.570 1.00 0.00 C ATOM 38 CH2 TRP A 3 -7.322 11.920 -9.817 1.00 0.00 C ATOM 0 H TRP A 3 -6.335 10.431 -4.648 1.00 0.00 H new ATOM 0 HA TRP A 3 -4.687 8.003 -4.462 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -3.197 8.853 -6.371 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -4.744 8.238 -6.919 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -3.148 11.631 -5.937 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -4.209 13.514 -7.352 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -6.626 8.870 -8.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -6.302 13.752 -9.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -8.142 9.948 -10.097 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -7.985 12.385 -10.532 1.00 0.00 H new ATOM 49 N GLU A 4 -2.930 9.433 -3.370 1.00 0.00 N ATOM 50 CA GLU A 4 -2.092 10.309 -2.500 1.00 0.00 C ATOM 51 C GLU A 4 -0.846 9.555 -2.019 1.00 0.00 C ATOM 52 O GLU A 4 -0.928 8.434 -1.560 1.00 0.00 O ATOM 53 CB GLU A 4 -2.996 10.668 -1.321 1.00 0.00 C ATOM 54 CG GLU A 4 -3.113 9.468 -0.377 1.00 0.00 C ATOM 55 CD GLU A 4 -4.219 9.729 0.647 1.00 0.00 C ATOM 56 OE1 GLU A 4 -3.986 10.512 1.554 1.00 0.00 O ATOM 57 OE2 GLU A 4 -5.279 9.142 0.508 1.00 0.00 O ATOM 0 H GLU A 4 -2.649 8.453 -3.402 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.735 11.194 -3.026 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.589 11.526 -0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.983 10.957 -1.682 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.335 8.565 -0.946 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.164 9.299 0.132 1.00 0.00 H new ATOM 64 N ILE A 5 0.305 10.162 -2.123 1.00 0.00 N ATOM 65 CA ILE A 5 1.550 9.488 -1.680 1.00 0.00 C ATOM 66 C ILE A 5 1.746 9.662 -0.170 1.00 0.00 C ATOM 67 O ILE A 5 0.922 10.239 0.511 1.00 0.00 O ATOM 68 CB ILE A 5 2.652 10.207 -2.449 1.00 0.00 C ATOM 69 CG1 ILE A 5 2.845 11.611 -1.871 1.00 0.00 C ATOM 70 CG2 ILE A 5 2.264 10.312 -3.925 1.00 0.00 C ATOM 71 CD1 ILE A 5 4.072 12.261 -2.511 1.00 0.00 C ATOM 0 H ILE A 5 0.433 11.102 -2.499 1.00 0.00 H new ATOM 0 HA ILE A 5 1.538 8.414 -1.868 1.00 0.00 H new ATOM 0 HB ILE A 5 3.582 9.645 -2.359 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.959 12.218 -2.058 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.971 11.557 -0.790 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.053 10.826 -4.473 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.128 9.312 -4.337 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.334 10.872 -4.018 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.210 13.261 -2.100 1.00 0.00 H new ATOM 0 HD12 ILE A 5 4.955 11.657 -2.301 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.927 12.329 -3.589 1.00 0.00 H new ATOM 83 N ILE A 6 2.837 9.170 0.358 1.00 0.00 N ATOM 84 CA ILE A 6 3.087 9.317 1.829 1.00 0.00 C ATOM 85 C ILE A 6 4.406 10.060 2.057 1.00 0.00 C ATOM 86 O ILE A 6 4.837 10.836 1.227 1.00 0.00 O ATOM 87 CB ILE A 6 3.152 7.896 2.431 1.00 0.00 C ATOM 88 CG1 ILE A 6 2.908 6.821 1.360 1.00 0.00 C ATOM 89 CG2 ILE A 6 2.085 7.768 3.519 1.00 0.00 C ATOM 90 CD1 ILE A 6 1.415 6.741 1.027 1.00 0.00 C ATOM 0 H ILE A 6 3.563 8.675 -0.160 1.00 0.00 H new ATOM 0 HA ILE A 6 2.293 9.891 2.306 1.00 0.00 H new ATOM 0 HB ILE A 6 4.148 7.744 2.847 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.477 7.056 0.461 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.262 5.854 1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.123 6.768 3.950 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.270 8.507 4.299 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.100 7.938 3.084 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.252 5.977 0.267 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.855 6.484 1.926 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.074 7.705 0.650 1.00 0.00 H new ATOM 102 N ASP A 7 5.050 9.849 3.176 1.00 0.00 N ATOM 103 CA ASP A 7 6.330 10.570 3.431 1.00 0.00 C ATOM 104 C ASP A 7 7.375 9.651 4.070 1.00 0.00 C ATOM 105 O ASP A 7 7.970 9.988 5.074 1.00 0.00 O ATOM 106 CB ASP A 7 5.961 11.706 4.385 1.00 0.00 C ATOM 107 CG ASP A 7 6.004 13.039 3.634 1.00 0.00 C ATOM 108 OD1 ASP A 7 5.399 13.121 2.578 1.00 0.00 O ATOM 109 OD2 ASP A 7 6.640 13.954 4.129 1.00 0.00 O ATOM 0 H ASP A 7 4.748 9.215 3.916 1.00 0.00 H new ATOM 0 HA ASP A 7 6.775 10.933 2.504 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.965 11.540 4.796 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.654 11.728 5.226 1.00 0.00 H new ATOM 114 N ILE A 8 7.595 8.496 3.497 1.00 0.00 N ATOM 115 CA ILE A 8 8.599 7.546 4.056 1.00 0.00 C ATOM 116 C ILE A 8 8.505 7.542 5.572 1.00 0.00 C ATOM 117 O ILE A 8 9.479 7.703 6.281 1.00 0.00 O ATOM 118 CB ILE A 8 9.967 8.051 3.580 1.00 0.00 C ATOM 119 CG1 ILE A 8 11.050 7.065 4.024 1.00 0.00 C ATOM 120 CG2 ILE A 8 10.259 9.427 4.178 1.00 0.00 C ATOM 121 CD1 ILE A 8 12.375 7.425 3.350 1.00 0.00 C ATOM 0 H ILE A 8 7.117 8.169 2.658 1.00 0.00 H new ATOM 0 HA ILE A 8 8.433 6.521 3.723 1.00 0.00 H new ATOM 0 HB ILE A 8 9.959 8.131 2.493 1.00 0.00 H new ATOM 0 HG12 ILE A 8 11.161 7.094 5.108 1.00 0.00 H new ATOM 0 HG13 ILE A 8 10.761 6.048 3.761 1.00 0.00 H new ATOM 0 HG21 ILE A 8 11.233 9.775 3.833 1.00 0.00 H new ATOM 0 HG22 ILE A 8 9.489 10.132 3.863 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.263 9.357 5.266 1.00 0.00 H new ATOM 0 HD11 ILE A 8 13.147 6.723 3.666 1.00 0.00 H new ATOM 0 HD12 ILE A 8 12.258 7.373 2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 8 12.666 8.436 3.635 1.00 0.00 H new ATOM 133 N GLY A 9 7.323 7.348 6.063 1.00 0.00 N ATOM 134 CA GLY A 9 7.117 7.318 7.540 1.00 0.00 C ATOM 135 C GLY A 9 6.126 6.208 7.920 1.00 0.00 C ATOM 136 O GLY A 9 6.482 5.257 8.593 1.00 0.00 O ATOM 0 H GLY A 9 6.480 7.207 5.506 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.070 7.152 8.043 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.741 8.283 7.881 1.00 0.00 H new ATOM 140 N PRO A 10 4.907 6.375 7.486 1.00 0.00 N ATOM 141 CA PRO A 10 3.845 5.397 7.797 1.00 0.00 C ATOM 142 C PRO A 10 3.889 4.205 6.837 1.00 0.00 C ATOM 143 O PRO A 10 4.037 3.073 7.254 1.00 0.00 O ATOM 144 CB PRO A 10 2.562 6.201 7.616 1.00 0.00 C ATOM 145 CG PRO A 10 2.909 7.308 6.668 1.00 0.00 C ATOM 146 CD PRO A 10 4.412 7.477 6.665 1.00 0.00 C ATOM 0 HA PRO A 10 3.943 4.968 8.794 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.763 5.578 7.215 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.210 6.597 8.569 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.551 7.075 5.665 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.423 8.235 6.973 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.814 7.430 5.653 1.00 0.00 H new ATOM 0 HD3 PRO A 10 4.703 8.442 7.079 1.00 0.00 H new ATOM 154 N PHE A 11 3.761 4.436 5.557 1.00 0.00 N ATOM 155 CA PHE A 11 3.798 3.288 4.607 1.00 0.00 C ATOM 156 C PHE A 11 5.077 2.478 4.827 1.00 0.00 C ATOM 157 O PHE A 11 5.147 1.309 4.503 1.00 0.00 O ATOM 158 CB PHE A 11 3.763 3.910 3.213 1.00 0.00 C ATOM 159 CG PHE A 11 2.325 4.022 2.762 1.00 0.00 C ATOM 160 CD1 PHE A 11 1.310 4.215 3.708 1.00 0.00 C ATOM 161 CD2 PHE A 11 2.005 3.932 1.402 1.00 0.00 C ATOM 162 CE1 PHE A 11 -0.022 4.319 3.295 1.00 0.00 C ATOM 163 CE2 PHE A 11 0.672 4.037 0.989 1.00 0.00 C ATOM 164 CZ PHE A 11 -0.342 4.231 1.935 1.00 0.00 C ATOM 0 H PHE A 11 3.634 5.355 5.134 1.00 0.00 H new ATOM 0 HA PHE A 11 2.963 2.601 4.747 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.231 4.894 3.228 1.00 0.00 H new ATOM 0 HB3 PHE A 11 4.331 3.297 2.513 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.556 4.284 4.757 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.787 3.782 0.672 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.804 4.467 4.025 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.425 3.968 -0.060 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.370 4.313 1.616 1.00 0.00 H new ATOM 174 N THR A 12 6.080 3.083 5.404 1.00 0.00 N ATOM 175 CA THR A 12 7.337 2.340 5.676 1.00 0.00 C ATOM 176 C THR A 12 7.055 1.315 6.765 1.00 0.00 C ATOM 177 O THR A 12 7.180 0.123 6.572 1.00 0.00 O ATOM 178 CB THR A 12 8.356 3.376 6.187 1.00 0.00 C ATOM 179 OG1 THR A 12 8.304 3.447 7.606 1.00 0.00 O ATOM 180 CG2 THR A 12 8.086 4.767 5.616 1.00 0.00 C ATOM 0 H THR A 12 6.080 4.060 5.698 1.00 0.00 H new ATOM 0 HA THR A 12 7.716 1.829 4.791 1.00 0.00 H new ATOM 0 HB THR A 12 9.343 3.051 5.857 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.746 4.206 7.875 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.826 5.468 6.001 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.150 4.733 4.528 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.089 5.094 5.911 1.00 0.00 H new ATOM 188 N GLN A 13 6.668 1.789 7.911 1.00 0.00 N ATOM 189 CA GLN A 13 6.362 0.863 9.039 1.00 0.00 C ATOM 190 C GLN A 13 5.315 -0.161 8.605 1.00 0.00 C ATOM 191 O GLN A 13 5.229 -1.251 9.137 1.00 0.00 O ATOM 192 CB GLN A 13 5.815 1.756 10.155 1.00 0.00 C ATOM 193 CG GLN A 13 6.085 1.102 11.511 1.00 0.00 C ATOM 194 CD GLN A 13 4.757 0.737 12.177 1.00 0.00 C ATOM 195 OE1 GLN A 13 4.463 1.194 13.263 1.00 0.00 O ATOM 196 NE2 GLN A 13 3.935 -0.071 11.566 1.00 0.00 N ATOM 0 H GLN A 13 6.549 2.780 8.120 1.00 0.00 H new ATOM 0 HA GLN A 13 7.239 0.304 9.365 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.286 2.738 10.113 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.744 1.910 10.020 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.696 0.209 11.380 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.649 1.783 12.149 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.181 -0.455 10.654 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.046 -0.319 12.000 1.00 0.00 H new ATOM 205 N ASN A 14 4.524 0.186 7.636 1.00 0.00 N ATOM 206 CA ASN A 14 3.478 -0.757 7.146 1.00 0.00 C ATOM 207 C ASN A 14 4.100 -1.771 6.193 1.00 0.00 C ATOM 208 O ASN A 14 3.842 -2.957 6.262 1.00 0.00 O ATOM 209 CB ASN A 14 2.461 0.118 6.414 1.00 0.00 C ATOM 210 CG ASN A 14 1.059 -0.467 6.594 1.00 0.00 C ATOM 211 OD1 ASN A 14 0.906 -1.570 7.082 1.00 0.00 O ATOM 212 ND2 ASN A 14 0.020 0.229 6.219 1.00 0.00 N ATOM 0 H ASN A 14 4.554 1.086 7.157 1.00 0.00 H new ATOM 0 HA ASN A 14 3.014 -1.320 7.956 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.494 1.136 6.803 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.710 0.174 5.354 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.919 -0.153 6.336 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.147 1.155 5.809 1.00 0.00 H new ATOM 219 N LEU A 15 4.927 -1.304 5.314 1.00 0.00 N ATOM 220 CA LEU A 15 5.597 -2.217 4.348 1.00 0.00 C ATOM 221 C LEU A 15 6.152 -3.435 5.093 1.00 0.00 C ATOM 222 O LEU A 15 5.973 -4.562 4.685 1.00 0.00 O ATOM 223 CB LEU A 15 6.728 -1.370 3.744 1.00 0.00 C ATOM 224 CG LEU A 15 7.884 -2.265 3.287 1.00 0.00 C ATOM 225 CD1 LEU A 15 8.702 -1.536 2.220 1.00 0.00 C ATOM 226 CD2 LEU A 15 8.784 -2.584 4.483 1.00 0.00 C ATOM 0 H LEU A 15 5.174 -0.319 5.218 1.00 0.00 H new ATOM 0 HA LEU A 15 4.926 -2.600 3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.349 -0.796 2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.086 -0.652 4.482 1.00 0.00 H new ATOM 0 HG LEU A 15 7.484 -3.190 2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.525 -2.172 1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.064 -1.304 1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.101 -0.611 2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.607 -3.221 4.159 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.183 -1.657 4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.204 -3.101 5.247 1.00 0.00 H new ATOM 238 N GLY A 16 6.827 -3.205 6.182 1.00 0.00 N ATOM 239 CA GLY A 16 7.401 -4.340 6.960 1.00 0.00 C ATOM 240 C GLY A 16 6.275 -5.212 7.521 1.00 0.00 C ATOM 241 O GLY A 16 6.273 -6.416 7.361 1.00 0.00 O ATOM 0 H GLY A 16 7.007 -2.279 6.569 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.051 -4.938 6.321 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.017 -3.959 7.774 1.00 0.00 H new ATOM 245 N LYS A 17 5.319 -4.618 8.184 1.00 0.00 N ATOM 246 CA LYS A 17 4.201 -5.416 8.759 1.00 0.00 C ATOM 247 C LYS A 17 3.335 -6.007 7.647 1.00 0.00 C ATOM 248 O LYS A 17 3.446 -7.167 7.303 1.00 0.00 O ATOM 249 CB LYS A 17 3.403 -4.413 9.592 1.00 0.00 C ATOM 250 CG LYS A 17 2.022 -4.984 9.906 1.00 0.00 C ATOM 251 CD LYS A 17 0.950 -4.116 9.244 1.00 0.00 C ATOM 252 CE LYS A 17 -0.331 -4.157 10.081 1.00 0.00 C ATOM 253 NZ LYS A 17 -1.129 -5.278 9.510 1.00 0.00 N ATOM 0 H LYS A 17 5.265 -3.613 8.352 1.00 0.00 H new ATOM 0 HA LYS A 17 4.554 -6.258 9.354 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.934 -4.191 10.518 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.303 -3.473 9.049 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.950 -6.010 9.544 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.866 -5.015 10.984 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.304 -3.089 9.152 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.749 -4.475 8.235 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.109 -4.327 11.134 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.874 -3.214 10.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.024 -5.369 10.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.331 -5.085 8.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.590 -6.164 9.590 1.00 0.00 H new ATOM 267 N PHE A 18 2.471 -5.205 7.102 1.00 0.00 N ATOM 268 CA PHE A 18 1.561 -5.670 6.009 1.00 0.00 C ATOM 269 C PHE A 18 2.251 -6.706 5.122 1.00 0.00 C ATOM 270 O PHE A 18 1.830 -7.842 5.029 1.00 0.00 O ATOM 271 CB PHE A 18 1.213 -4.380 5.237 1.00 0.00 C ATOM 272 CG PHE A 18 1.274 -4.605 3.742 1.00 0.00 C ATOM 273 CD1 PHE A 18 0.225 -5.262 3.089 1.00 0.00 C ATOM 274 CD2 PHE A 18 2.382 -4.157 3.012 1.00 0.00 C ATOM 275 CE1 PHE A 18 0.284 -5.470 1.707 1.00 0.00 C ATOM 276 CE2 PHE A 18 2.440 -4.365 1.629 1.00 0.00 C ATOM 277 CZ PHE A 18 1.390 -5.023 0.976 1.00 0.00 C ATOM 0 H PHE A 18 2.350 -4.228 7.368 1.00 0.00 H new ATOM 0 HA PHE A 18 0.669 -6.172 6.384 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.215 -4.044 5.517 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.906 -3.587 5.517 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.629 -5.608 3.652 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.192 -3.651 3.516 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.526 -5.977 1.203 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.294 -4.018 1.066 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.434 -5.185 -0.091 1.00 0.00 H new ATOM 287 N ALA A 19 3.299 -6.321 4.472 1.00 0.00 N ATOM 288 CA ALA A 19 4.014 -7.280 3.587 1.00 0.00 C ATOM 289 C ALA A 19 4.168 -8.627 4.295 1.00 0.00 C ATOM 290 O ALA A 19 3.490 -9.580 3.982 1.00 0.00 O ATOM 291 CB ALA A 19 5.378 -6.643 3.320 1.00 0.00 C ATOM 0 H ALA A 19 3.698 -5.383 4.511 1.00 0.00 H new ATOM 0 HA ALA A 19 3.475 -7.470 2.659 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.964 -7.295 2.672 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.240 -5.677 2.834 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.905 -6.502 4.264 1.00 0.00 H new ATOM 297 N VAL A 20 5.048 -8.713 5.252 1.00 0.00 N ATOM 298 CA VAL A 20 5.239 -10.004 5.977 1.00 0.00 C ATOM 299 C VAL A 20 3.886 -10.666 6.263 1.00 0.00 C ATOM 300 O VAL A 20 3.794 -11.870 6.396 1.00 0.00 O ATOM 301 CB VAL A 20 5.942 -9.627 7.279 1.00 0.00 C ATOM 302 CG1 VAL A 20 5.850 -10.791 8.269 1.00 0.00 C ATOM 303 CG2 VAL A 20 7.414 -9.321 6.991 1.00 0.00 C ATOM 0 H VAL A 20 5.644 -7.947 5.565 1.00 0.00 H new ATOM 0 HA VAL A 20 5.818 -10.720 5.394 1.00 0.00 H new ATOM 0 HB VAL A 20 5.462 -8.748 7.708 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.352 -10.520 9.197 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.803 -11.012 8.474 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.329 -11.671 7.841 1.00 0.00 H new ATOM 0 HG21 VAL A 20 7.918 -9.052 7.919 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.891 -10.202 6.561 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.482 -8.492 6.287 1.00 0.00 H new ATOM 313 N ASP A 21 2.836 -9.898 6.353 1.00 0.00 N ATOM 314 CA ASP A 21 1.501 -10.503 6.622 1.00 0.00 C ATOM 315 C ASP A 21 0.838 -10.905 5.311 1.00 0.00 C ATOM 316 O ASP A 21 0.719 -12.074 5.012 1.00 0.00 O ATOM 317 CB ASP A 21 0.695 -9.414 7.331 1.00 0.00 C ATOM 318 CG ASP A 21 -0.764 -9.854 7.451 1.00 0.00 C ATOM 319 OD1 ASP A 21 -1.393 -10.039 6.421 1.00 0.00 O ATOM 320 OD2 ASP A 21 -1.229 -9.999 8.569 1.00 0.00 O ATOM 0 H ASP A 21 2.844 -8.883 6.253 1.00 0.00 H new ATOM 0 HA ASP A 21 1.571 -11.404 7.231 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.111 -9.225 8.321 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.759 -8.479 6.774 1.00 0.00 H new ATOM 325 N GLU A 22 0.406 -9.968 4.516 1.00 0.00 N ATOM 326 CA GLU A 22 -0.233 -10.371 3.235 1.00 0.00 C ATOM 327 C GLU A 22 0.782 -11.128 2.380 1.00 0.00 C ATOM 328 O GLU A 22 0.456 -12.098 1.739 1.00 0.00 O ATOM 329 CB GLU A 22 -0.707 -9.077 2.566 1.00 0.00 C ATOM 330 CG GLU A 22 -1.930 -9.377 1.698 1.00 0.00 C ATOM 331 CD GLU A 22 -2.849 -8.153 1.673 1.00 0.00 C ATOM 332 OE1 GLU A 22 -2.415 -7.103 2.118 1.00 0.00 O ATOM 333 OE2 GLU A 22 -3.970 -8.288 1.212 1.00 0.00 O ATOM 0 H GLU A 22 0.465 -8.965 4.691 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.080 -11.041 3.381 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.957 -8.333 3.322 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.092 -8.655 1.956 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.617 -9.631 0.685 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.466 -10.240 2.092 1.00 0.00 H new ATOM 340 N GLU A 23 2.018 -10.726 2.402 1.00 0.00 N ATOM 341 CA GLU A 23 3.054 -11.464 1.621 1.00 0.00 C ATOM 342 C GLU A 23 3.091 -12.906 2.098 1.00 0.00 C ATOM 343 O GLU A 23 2.956 -13.831 1.327 1.00 0.00 O ATOM 344 CB GLU A 23 4.379 -10.759 1.915 1.00 0.00 C ATOM 345 CG GLU A 23 5.455 -11.272 0.955 1.00 0.00 C ATOM 346 CD GLU A 23 6.533 -12.014 1.747 1.00 0.00 C ATOM 347 OE1 GLU A 23 6.196 -12.600 2.764 1.00 0.00 O ATOM 348 OE2 GLU A 23 7.676 -11.986 1.323 1.00 0.00 O ATOM 0 H GLU A 23 2.360 -9.920 2.925 1.00 0.00 H new ATOM 0 HA GLU A 23 2.850 -11.471 0.550 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.262 -9.681 1.804 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.680 -10.943 2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.010 -11.937 0.215 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.898 -10.439 0.410 1.00 0.00 H new ATOM 355 N ASN A 24 3.241 -13.110 3.372 1.00 0.00 N ATOM 356 CA ASN A 24 3.246 -14.506 3.882 1.00 0.00 C ATOM 357 C ASN A 24 1.841 -15.081 3.723 1.00 0.00 C ATOM 358 O ASN A 24 1.658 -16.177 3.230 1.00 0.00 O ATOM 359 CB ASN A 24 3.638 -14.404 5.357 1.00 0.00 C ATOM 360 CG ASN A 24 4.185 -15.751 5.835 1.00 0.00 C ATOM 361 OD1 ASN A 24 3.509 -16.758 5.750 1.00 0.00 O ATOM 362 ND2 ASN A 24 5.387 -15.812 6.337 1.00 0.00 N ATOM 0 H ASN A 24 3.359 -12.382 4.076 1.00 0.00 H new ATOM 0 HA ASN A 24 3.937 -15.157 3.347 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.390 -13.626 5.491 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.773 -14.118 5.955 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.761 -16.705 6.659 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.954 -14.967 6.408 1.00 0.00 H new ATOM 369 N LYS A 25 0.844 -14.341 4.122 1.00 0.00 N ATOM 370 CA LYS A 25 -0.553 -14.841 3.974 1.00 0.00 C ATOM 371 C LYS A 25 -0.846 -15.175 2.508 1.00 0.00 C ATOM 372 O LYS A 25 -1.552 -16.115 2.205 1.00 0.00 O ATOM 373 CB LYS A 25 -1.442 -13.695 4.457 1.00 0.00 C ATOM 374 CG LYS A 25 -1.457 -13.672 5.986 1.00 0.00 C ATOM 375 CD LYS A 25 -2.904 -13.708 6.485 1.00 0.00 C ATOM 376 CE LYS A 25 -3.428 -15.144 6.424 1.00 0.00 C ATOM 377 NZ LYS A 25 -3.578 -15.558 7.847 1.00 0.00 N ATOM 0 H LYS A 25 0.934 -13.416 4.542 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.726 -15.754 4.544 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.071 -12.745 4.072 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.455 -13.820 4.074 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.905 -14.526 6.378 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.958 -12.775 6.351 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.957 -13.333 7.507 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.527 -13.056 5.873 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.380 -15.195 5.895 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.734 -15.796 5.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.934 -16.534 7.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.655 -15.506 8.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.250 -14.924 8.324 1.00 0.00 H new ATOM 391 N ILE A 26 -0.307 -14.413 1.600 1.00 0.00 N ATOM 392 CA ILE A 26 -0.557 -14.691 0.149 1.00 0.00 C ATOM 393 C ILE A 26 0.130 -15.996 -0.260 1.00 0.00 C ATOM 394 O ILE A 26 -0.235 -16.627 -1.231 1.00 0.00 O ATOM 395 CB ILE A 26 0.015 -13.491 -0.629 1.00 0.00 C ATOM 396 CG1 ILE A 26 -0.639 -13.422 -2.014 1.00 0.00 C ATOM 397 CG2 ILE A 26 1.531 -13.628 -0.806 1.00 0.00 C ATOM 398 CD1 ILE A 26 -0.221 -14.638 -2.843 1.00 0.00 C ATOM 0 H ILE A 26 0.294 -13.612 1.793 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.620 -14.811 -0.062 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.196 -12.584 -0.063 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.724 -13.394 -1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.342 -12.504 -2.522 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.912 -12.769 -1.358 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.009 -13.671 0.173 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.752 -14.541 -1.358 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.688 -14.586 -3.827 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.863 -14.646 -2.956 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.540 -15.550 -2.338 1.00 0.00 H new ATOM 410 N GLY A 27 1.119 -16.402 0.482 1.00 0.00 N ATOM 411 CA GLY A 27 1.832 -17.667 0.143 1.00 0.00 C ATOM 412 C GLY A 27 3.316 -17.373 -0.082 1.00 0.00 C ATOM 413 O GLY A 27 4.061 -18.212 -0.547 1.00 0.00 O ATOM 0 H GLY A 27 1.466 -15.915 1.308 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.712 -18.391 0.949 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.399 -18.112 -0.753 1.00 0.00 H new ATOM 417 N GLN A 28 3.751 -16.189 0.249 1.00 0.00 N ATOM 418 CA GLN A 28 5.188 -15.842 0.059 1.00 0.00 C ATOM 419 C GLN A 28 5.883 -15.777 1.419 1.00 0.00 C ATOM 420 O GLN A 28 6.437 -14.766 1.800 1.00 0.00 O ATOM 421 CB GLN A 28 5.185 -14.467 -0.613 1.00 0.00 C ATOM 422 CG GLN A 28 4.893 -14.630 -2.106 1.00 0.00 C ATOM 423 CD GLN A 28 6.210 -14.730 -2.877 1.00 0.00 C ATOM 424 OE1 GLN A 28 7.176 -14.077 -2.538 1.00 0.00 O ATOM 425 NE2 GLN A 28 6.289 -15.527 -3.907 1.00 0.00 N ATOM 0 H GLN A 28 3.174 -15.446 0.643 1.00 0.00 H new ATOM 0 HA GLN A 28 5.720 -16.579 -0.543 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.433 -13.827 -0.152 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.149 -13.979 -0.471 1.00 0.00 H new ATOM 0 HG2 GLN A 28 4.292 -15.524 -2.274 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.311 -13.782 -2.468 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.477 -16.075 -4.191 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.163 -15.602 -4.428 1.00 0.00 H new ATOM 486 N LEU A 32 11.409 -12.430 5.259 1.00 0.00 N ATOM 487 CA LEU A 32 10.727 -11.176 5.670 1.00 0.00 C ATOM 488 C LEU A 32 10.424 -10.326 4.438 1.00 0.00 C ATOM 489 O LEU A 32 10.698 -10.713 3.318 1.00 0.00 O ATOM 490 CB LEU A 32 11.724 -10.450 6.582 1.00 0.00 C ATOM 491 CG LEU A 32 12.359 -11.409 7.611 1.00 0.00 C ATOM 492 CD1 LEU A 32 11.466 -12.630 7.865 1.00 0.00 C ATOM 493 CD2 LEU A 32 13.732 -11.865 7.107 1.00 0.00 C ATOM 0 HA LEU A 32 9.782 -11.369 6.177 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.508 -9.996 5.976 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.216 -9.640 7.105 1.00 0.00 H new ATOM 0 HG LEU A 32 12.470 -10.873 8.554 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.943 -13.284 8.594 1.00 0.00 H new ATOM 0 HD12 LEU A 32 10.501 -12.301 8.250 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.319 -13.173 6.932 1.00 0.00 H new ATOM 0 HD21 LEU A 32 14.180 -12.542 7.834 1.00 0.00 H new ATOM 0 HD22 LEU A 32 13.617 -12.381 6.154 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.378 -10.997 6.974 1.00 0.00 H new ATOM 505 N THR A 33 9.864 -9.168 4.633 1.00 0.00 N ATOM 506 CA THR A 33 9.547 -8.290 3.474 1.00 0.00 C ATOM 507 C THR A 33 9.929 -6.844 3.795 1.00 0.00 C ATOM 508 O THR A 33 9.139 -5.931 3.654 1.00 0.00 O ATOM 509 CB THR A 33 8.034 -8.422 3.269 1.00 0.00 C ATOM 510 OG1 THR A 33 7.495 -9.306 4.243 1.00 0.00 O ATOM 511 CG2 THR A 33 7.752 -8.973 1.868 1.00 0.00 C ATOM 0 H THR A 33 9.611 -8.790 5.546 1.00 0.00 H new ATOM 0 HA THR A 33 10.098 -8.573 2.577 1.00 0.00 H new ATOM 0 HB THR A 33 7.570 -7.441 3.374 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.212 -10.138 3.809 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.676 -9.066 1.724 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.161 -8.293 1.121 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.219 -9.952 1.761 1.00 0.00 H new ATOM 519 N PHE A 34 11.143 -6.632 4.225 1.00 0.00 N ATOM 520 CA PHE A 34 11.596 -5.252 4.559 1.00 0.00 C ATOM 521 C PHE A 34 13.111 -5.242 4.788 1.00 0.00 C ATOM 522 O PHE A 34 13.625 -5.965 5.619 1.00 0.00 O ATOM 523 CB PHE A 34 10.844 -4.885 5.844 1.00 0.00 C ATOM 524 CG PHE A 34 11.494 -5.554 7.032 1.00 0.00 C ATOM 525 CD1 PHE A 34 11.302 -6.922 7.260 1.00 0.00 C ATOM 526 CD2 PHE A 34 12.290 -4.804 7.908 1.00 0.00 C ATOM 527 CE1 PHE A 34 11.905 -7.540 8.362 1.00 0.00 C ATOM 528 CE2 PHE A 34 12.892 -5.423 9.010 1.00 0.00 C ATOM 529 CZ PHE A 34 12.701 -6.790 9.237 1.00 0.00 C ATOM 0 H PHE A 34 11.844 -7.360 4.360 1.00 0.00 H new ATOM 0 HA PHE A 34 11.392 -4.540 3.759 1.00 0.00 H new ATOM 0 HB2 PHE A 34 10.845 -3.803 5.980 1.00 0.00 H new ATOM 0 HB3 PHE A 34 9.802 -5.195 5.767 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.688 -7.501 6.585 1.00 0.00 H new ATOM 0 HD2 PHE A 34 12.439 -3.749 7.733 1.00 0.00 H new ATOM 0 HE1 PHE A 34 11.756 -8.595 8.537 1.00 0.00 H new ATOM 0 HE2 PHE A 34 13.505 -4.844 9.686 1.00 0.00 H new ATOM 0 HZ PHE A 34 13.167 -7.267 10.087 1.00 0.00 H new ATOM 539 N ASN A 35 13.830 -4.437 4.055 1.00 0.00 N ATOM 540 CA ASN A 35 15.311 -4.395 4.233 1.00 0.00 C ATOM 541 C ASN A 35 15.873 -3.043 3.781 1.00 0.00 C ATOM 542 O ASN A 35 16.406 -2.290 4.573 1.00 0.00 O ATOM 543 CB ASN A 35 15.845 -5.519 3.345 1.00 0.00 C ATOM 544 CG ASN A 35 17.116 -6.102 3.967 1.00 0.00 C ATOM 545 OD1 ASN A 35 18.199 -5.921 3.446 1.00 0.00 O ATOM 546 ND2 ASN A 35 17.029 -6.799 5.067 1.00 0.00 N ATOM 0 H ASN A 35 13.459 -3.808 3.343 1.00 0.00 H new ATOM 0 HA ASN A 35 15.601 -4.520 5.276 1.00 0.00 H new ATOM 0 HB2 ASN A 35 15.091 -6.298 3.234 1.00 0.00 H new ATOM 0 HB3 ASN A 35 16.058 -5.138 2.346 1.00 0.00 H new ATOM 0 HD21 ASN A 35 17.870 -7.192 5.490 1.00 0.00 H new ATOM 0 HD22 ASN A 35 16.120 -6.951 5.504 1.00 0.00 H new ATOM 553 N LYS A 36 15.775 -2.733 2.516 1.00 0.00 N ATOM 554 CA LYS A 36 16.325 -1.435 2.029 1.00 0.00 C ATOM 555 C LYS A 36 15.498 -0.254 2.560 1.00 0.00 C ATOM 556 O LYS A 36 15.699 0.186 3.673 1.00 0.00 O ATOM 557 CB LYS A 36 16.259 -1.517 0.503 1.00 0.00 C ATOM 558 CG LYS A 36 17.621 -1.967 -0.030 1.00 0.00 C ATOM 559 CD LYS A 36 17.682 -3.496 -0.055 1.00 0.00 C ATOM 560 CE LYS A 36 19.133 -3.945 -0.237 1.00 0.00 C ATOM 561 NZ LYS A 36 19.051 -5.195 -1.043 1.00 0.00 N ATOM 0 H LYS A 36 15.341 -3.318 1.803 1.00 0.00 H new ATOM 0 HA LYS A 36 17.344 -1.269 2.378 1.00 0.00 H new ATOM 0 HB2 LYS A 36 15.484 -2.219 0.197 1.00 0.00 H new ATOM 0 HB3 LYS A 36 15.993 -0.546 0.085 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.780 -1.570 -1.033 1.00 0.00 H new ATOM 0 HG3 LYS A 36 18.418 -1.571 0.599 1.00 0.00 H new ATOM 0 HD2 LYS A 36 17.278 -3.902 0.872 1.00 0.00 H new ATOM 0 HD3 LYS A 36 17.066 -3.882 -0.867 1.00 0.00 H new ATOM 0 HE2 LYS A 36 19.721 -3.183 -0.749 1.00 0.00 H new ATOM 0 HE3 LYS A 36 19.614 -4.126 0.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 20.008 -5.573 -1.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 18.477 -5.898 -0.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.611 -4.987 -1.962 1.00 0.00 H new ATOM 575 N VAL A 37 14.586 0.280 1.784 1.00 0.00 N ATOM 576 CA VAL A 37 13.796 1.445 2.285 1.00 0.00 C ATOM 577 C VAL A 37 12.511 1.653 1.470 1.00 0.00 C ATOM 578 O VAL A 37 12.293 1.031 0.449 1.00 0.00 O ATOM 579 CB VAL A 37 14.744 2.636 2.106 1.00 0.00 C ATOM 580 CG1 VAL A 37 13.948 3.942 2.001 1.00 0.00 C ATOM 581 CG2 VAL A 37 15.688 2.716 3.305 1.00 0.00 C ATOM 0 H VAL A 37 14.358 -0.035 0.841 1.00 0.00 H new ATOM 0 HA VAL A 37 13.470 1.306 3.316 1.00 0.00 H new ATOM 0 HB VAL A 37 15.316 2.496 1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.636 4.778 1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.277 3.891 1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 37 13.365 4.087 2.910 1.00 0.00 H new ATOM 0 HG21 VAL A 37 16.364 3.562 3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 37 15.107 2.847 4.218 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.268 1.796 3.373 1.00 0.00 H new ATOM 591 N ILE A 38 11.671 2.550 1.922 1.00 0.00 N ATOM 592 CA ILE A 38 10.400 2.849 1.195 1.00 0.00 C ATOM 593 C ILE A 38 10.395 4.331 0.796 1.00 0.00 C ATOM 594 O ILE A 38 10.361 5.214 1.630 1.00 0.00 O ATOM 595 CB ILE A 38 9.247 2.492 2.178 1.00 0.00 C ATOM 596 CG1 ILE A 38 8.749 3.725 2.937 1.00 0.00 C ATOM 597 CG2 ILE A 38 9.713 1.459 3.209 1.00 0.00 C ATOM 598 CD1 ILE A 38 7.904 4.599 2.012 1.00 0.00 C ATOM 0 H ILE A 38 11.814 3.094 2.773 1.00 0.00 H new ATOM 0 HA ILE A 38 10.286 2.275 0.276 1.00 0.00 H new ATOM 0 HB ILE A 38 8.436 2.086 1.573 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.159 3.418 3.800 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.596 4.296 3.317 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.891 1.224 3.886 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.032 0.551 2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.548 1.866 3.780 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.553 5.474 2.559 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.507 4.919 1.163 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.048 4.028 1.654 1.00 0.00 H new ATOM 610 N ARG A 39 10.453 4.613 -0.478 1.00 0.00 N ATOM 611 CA ARG A 39 10.466 6.038 -0.914 1.00 0.00 C ATOM 612 C ARG A 39 9.270 6.337 -1.825 1.00 0.00 C ATOM 613 O ARG A 39 8.460 7.183 -1.502 1.00 0.00 O ATOM 614 CB ARG A 39 11.790 6.225 -1.659 1.00 0.00 C ATOM 615 CG ARG A 39 12.659 7.237 -0.912 1.00 0.00 C ATOM 616 CD ARG A 39 11.986 8.612 -0.948 1.00 0.00 C ATOM 617 NE ARG A 39 13.087 9.570 -1.247 1.00 0.00 N ATOM 618 CZ ARG A 39 12.981 10.820 -0.886 1.00 0.00 C ATOM 619 NH1 ARG A 39 11.823 11.418 -0.938 1.00 0.00 N ATOM 620 NH2 ARG A 39 14.034 11.471 -0.473 1.00 0.00 N ATOM 0 H ARG A 39 10.492 3.924 -1.229 1.00 0.00 H new ATOM 0 HA ARG A 39 10.385 6.722 -0.070 1.00 0.00 H new ATOM 0 HB2 ARG A 39 12.312 5.271 -1.739 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.602 6.572 -2.675 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.803 6.917 0.120 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.647 7.292 -1.369 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.209 8.652 -1.712 1.00 0.00 H new ATOM 0 HD3 ARG A 39 11.509 8.843 0.004 1.00 0.00 H new ATOM 0 HE ARG A 39 13.924 9.249 -1.734 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.000 10.909 -1.261 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.740 12.395 -0.656 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.939 11.003 -0.432 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.952 12.448 -0.191 1.00 0.00 H new ATOM 634 N PRO A 40 9.179 5.645 -2.937 1.00 0.00 N ATOM 635 CA PRO A 40 8.054 5.881 -3.859 1.00 0.00 C ATOM 636 C PRO A 40 6.805 5.108 -3.415 1.00 0.00 C ATOM 637 O PRO A 40 6.135 4.457 -4.200 1.00 0.00 O ATOM 638 CB PRO A 40 8.580 5.402 -5.204 1.00 0.00 C ATOM 639 CG PRO A 40 9.670 4.418 -4.894 1.00 0.00 C ATOM 640 CD PRO A 40 10.083 4.605 -3.447 1.00 0.00 C ATOM 0 HA PRO A 40 7.739 6.924 -3.892 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.788 4.935 -5.789 1.00 0.00 H new ATOM 0 HB3 PRO A 40 8.963 6.236 -5.793 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.320 3.399 -5.060 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.522 4.575 -5.555 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.980 3.678 -2.882 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.126 4.912 -3.369 1.00 0.00 H new ATOM 648 N CYS A 41 6.478 5.201 -2.156 1.00 0.00 N ATOM 649 CA CYS A 41 5.259 4.514 -1.645 1.00 0.00 C ATOM 650 C CYS A 41 4.041 5.413 -1.902 1.00 0.00 C ATOM 651 O CYS A 41 3.997 6.551 -1.470 1.00 0.00 O ATOM 652 CB CYS A 41 5.497 4.352 -0.145 1.00 0.00 C ATOM 653 SG CYS A 41 5.699 5.986 0.607 1.00 0.00 S ATOM 0 H CYS A 41 7.004 5.725 -1.457 1.00 0.00 H new ATOM 0 HA CYS A 41 5.074 3.554 -2.127 1.00 0.00 H new ATOM 0 HB2 CYS A 41 4.658 3.829 0.314 1.00 0.00 H new ATOM 0 HB3 CYS A 41 6.385 3.745 0.031 1.00 0.00 H new ATOM 0 HG CYS A 41 5.237 6.895 -0.199 1.00 0.00 H new ATOM 659 N MET A 42 3.063 4.928 -2.618 1.00 0.00 N ATOM 660 CA MET A 42 1.870 5.778 -2.907 1.00 0.00 C ATOM 661 C MET A 42 0.580 5.105 -2.429 1.00 0.00 C ATOM 662 O MET A 42 0.542 3.921 -2.159 1.00 0.00 O ATOM 663 CB MET A 42 1.859 5.930 -4.429 1.00 0.00 C ATOM 664 CG MET A 42 2.465 7.282 -4.812 1.00 0.00 C ATOM 665 SD MET A 42 3.874 7.020 -5.917 1.00 0.00 S ATOM 666 CE MET A 42 3.403 8.230 -7.178 1.00 0.00 C ATOM 0 H MET A 42 3.037 3.988 -3.013 1.00 0.00 H new ATOM 0 HA MET A 42 1.923 6.737 -2.391 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.427 5.122 -4.890 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.838 5.857 -4.805 1.00 0.00 H new ATOM 0 HG2 MET A 42 1.715 7.903 -5.302 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.785 7.816 -3.917 1.00 0.00 H new ATOM 0 HE1 MET A 42 4.149 8.236 -7.973 1.00 0.00 H new ATOM 0 HE2 MET A 42 2.431 7.963 -7.594 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.345 9.221 -6.728 1.00 0.00 H new ATOM 676 N LYS A 43 -0.482 5.857 -2.328 1.00 0.00 N ATOM 677 CA LYS A 43 -1.777 5.272 -1.876 1.00 0.00 C ATOM 678 C LYS A 43 -2.898 5.693 -2.828 1.00 0.00 C ATOM 679 O LYS A 43 -2.975 6.831 -3.247 1.00 0.00 O ATOM 680 CB LYS A 43 -2.011 5.857 -0.483 1.00 0.00 C ATOM 681 CG LYS A 43 -3.384 5.420 0.030 1.00 0.00 C ATOM 682 CD LYS A 43 -4.328 6.624 0.050 1.00 0.00 C ATOM 683 CE LYS A 43 -5.679 6.206 0.636 1.00 0.00 C ATOM 684 NZ LYS A 43 -5.778 6.937 1.930 1.00 0.00 N ATOM 0 H LYS A 43 -0.509 6.854 -2.540 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.759 4.182 -1.861 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.232 5.520 0.200 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.954 6.945 -0.520 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.790 4.636 -0.609 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.293 4.999 1.031 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.895 7.429 0.645 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.462 7.011 -0.960 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.499 6.472 -0.032 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.728 5.128 0.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.745 6.853 2.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.107 6.528 2.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.551 7.941 1.780 1.00 0.00 H new ATOM 698 N LYS A 44 -3.770 4.786 -3.177 1.00 0.00 N ATOM 699 CA LYS A 44 -4.881 5.147 -4.104 1.00 0.00 C ATOM 700 C LYS A 44 -6.147 4.367 -3.744 1.00 0.00 C ATOM 701 O LYS A 44 -6.111 3.175 -3.512 1.00 0.00 O ATOM 702 CB LYS A 44 -4.382 4.747 -5.493 1.00 0.00 C ATOM 703 CG LYS A 44 -3.965 5.999 -6.267 1.00 0.00 C ATOM 704 CD LYS A 44 -2.835 5.646 -7.237 1.00 0.00 C ATOM 705 CE LYS A 44 -2.647 6.788 -8.239 1.00 0.00 C ATOM 706 NZ LYS A 44 -3.383 6.353 -9.458 1.00 0.00 N ATOM 0 H LYS A 44 -3.762 3.816 -2.862 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.136 6.205 -4.050 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.538 4.063 -5.405 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.166 4.217 -6.034 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.817 6.401 -6.815 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.636 6.775 -5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.910 5.474 -6.687 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.069 4.721 -7.764 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.046 7.725 -7.850 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.592 6.956 -8.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.301 7.085 -10.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.977 5.462 -9.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.386 6.208 -9.225 1.00 0.00 H new ATOM 720 N THR A 45 -7.269 5.030 -3.694 1.00 0.00 N ATOM 721 CA THR A 45 -8.534 4.322 -3.347 1.00 0.00 C ATOM 722 C THR A 45 -9.601 4.583 -4.412 1.00 0.00 C ATOM 723 O THR A 45 -9.584 5.590 -5.091 1.00 0.00 O ATOM 724 CB THR A 45 -8.964 4.920 -2.004 1.00 0.00 C ATOM 725 OG1 THR A 45 -8.099 4.449 -0.981 1.00 0.00 O ATOM 726 CG2 THR A 45 -10.407 4.509 -1.684 1.00 0.00 C ATOM 0 H THR A 45 -7.365 6.029 -3.878 1.00 0.00 H new ATOM 0 HA THR A 45 -8.399 3.242 -3.293 1.00 0.00 H new ATOM 0 HB THR A 45 -8.908 6.007 -2.061 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.629 4.027 -0.273 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.704 4.939 -0.727 1.00 0.00 H new ATOM 0 HG22 THR A 45 -11.071 4.873 -2.468 1.00 0.00 H new ATOM 0 HG23 THR A 45 -10.472 3.422 -1.629 1.00 0.00 H new ATOM 734 N ILE A 46 -10.543 3.693 -4.540 1.00 0.00 N ATOM 735 CA ILE A 46 -11.632 3.890 -5.533 1.00 0.00 C ATOM 736 C ILE A 46 -12.942 4.013 -4.770 1.00 0.00 C ATOM 737 O ILE A 46 -13.872 3.257 -4.965 1.00 0.00 O ATOM 738 CB ILE A 46 -11.633 2.632 -6.388 1.00 0.00 C ATOM 739 CG1 ILE A 46 -12.859 2.654 -7.302 1.00 0.00 C ATOM 740 CG2 ILE A 46 -11.691 1.409 -5.476 1.00 0.00 C ATOM 741 CD1 ILE A 46 -12.409 2.785 -8.757 1.00 0.00 C ATOM 0 H ILE A 46 -10.605 2.832 -3.996 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.501 4.780 -6.148 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.728 2.588 -6.994 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -13.440 1.741 -7.171 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -13.510 3.487 -7.035 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.692 0.503 -6.082 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.822 1.404 -4.818 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -12.600 1.445 -4.876 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -13.283 2.801 -9.408 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.847 3.710 -8.882 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -11.776 1.937 -9.020 1.00 0.00 H new ATOM 898 N GLY A 55 -13.683 1.008 -2.499 1.00 0.00 N ATOM 899 CA GLY A 55 -12.488 0.118 -2.486 1.00 0.00 C ATOM 900 C GLY A 55 -11.252 0.900 -2.054 1.00 0.00 C ATOM 901 O GLY A 55 -10.935 1.936 -2.601 1.00 0.00 O ATOM 0 HA2 GLY A 55 -12.655 -0.717 -1.805 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.331 -0.306 -3.478 1.00 0.00 H new ATOM 905 N TYR A 56 -10.545 0.404 -1.076 1.00 0.00 N ATOM 906 CA TYR A 56 -9.322 1.109 -0.607 1.00 0.00 C ATOM 907 C TYR A 56 -8.082 0.266 -0.912 1.00 0.00 C ATOM 908 O TYR A 56 -7.800 -0.707 -0.242 1.00 0.00 O ATOM 909 CB TYR A 56 -9.508 1.268 0.901 1.00 0.00 C ATOM 910 CG TYR A 56 -8.263 1.877 1.501 1.00 0.00 C ATOM 911 CD1 TYR A 56 -7.174 1.062 1.829 1.00 0.00 C ATOM 912 CD2 TYR A 56 -8.198 3.257 1.727 1.00 0.00 C ATOM 913 CE1 TYR A 56 -6.019 1.627 2.384 1.00 0.00 C ATOM 914 CE2 TYR A 56 -7.043 3.822 2.282 1.00 0.00 C ATOM 915 CZ TYR A 56 -5.954 3.007 2.611 1.00 0.00 C ATOM 916 OH TYR A 56 -4.816 3.563 3.157 1.00 0.00 O ATOM 0 H TYR A 56 -10.763 -0.461 -0.581 1.00 0.00 H new ATOM 0 HA TYR A 56 -9.183 2.071 -1.101 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -10.371 1.901 1.107 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -9.708 0.299 1.358 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -7.224 -0.003 1.654 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -9.039 3.886 1.473 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.178 0.998 2.637 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.993 4.887 2.456 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.936 4.531 3.247 1.00 0.00 H new ATOM 926 N GLU A 57 -7.338 0.636 -1.917 1.00 0.00 N ATOM 927 CA GLU A 57 -6.114 -0.141 -2.262 1.00 0.00 C ATOM 928 C GLU A 57 -4.888 0.764 -2.149 1.00 0.00 C ATOM 929 O GLU A 57 -5.004 1.944 -1.885 1.00 0.00 O ATOM 930 CB GLU A 57 -6.322 -0.592 -3.709 1.00 0.00 C ATOM 931 CG GLU A 57 -6.188 0.612 -4.643 1.00 0.00 C ATOM 932 CD GLU A 57 -6.199 0.136 -6.096 1.00 0.00 C ATOM 933 OE1 GLU A 57 -6.811 -0.887 -6.359 1.00 0.00 O ATOM 934 OE2 GLU A 57 -5.597 0.802 -6.923 1.00 0.00 O ATOM 0 H GLU A 57 -7.524 1.442 -2.514 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.953 -0.990 -1.598 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.588 -1.354 -3.973 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.307 -1.045 -3.822 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.007 1.311 -4.472 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.263 1.148 -4.432 1.00 0.00 H new ATOM 941 N TYR A 58 -3.712 0.233 -2.338 1.00 0.00 N ATOM 942 CA TYR A 58 -2.506 1.113 -2.223 1.00 0.00 C ATOM 943 C TYR A 58 -1.324 0.603 -3.055 1.00 0.00 C ATOM 944 O TYR A 58 -1.267 -0.540 -3.459 1.00 0.00 O ATOM 945 CB TYR A 58 -2.179 1.140 -0.718 1.00 0.00 C ATOM 946 CG TYR A 58 -0.951 0.308 -0.375 1.00 0.00 C ATOM 947 CD1 TYR A 58 -0.814 -1.006 -0.847 1.00 0.00 C ATOM 948 CD2 TYR A 58 0.037 0.850 0.457 1.00 0.00 C ATOM 949 CE1 TYR A 58 0.306 -1.761 -0.488 1.00 0.00 C ATOM 950 CE2 TYR A 58 1.150 0.089 0.818 1.00 0.00 C ATOM 951 CZ TYR A 58 1.285 -1.216 0.346 1.00 0.00 C ATOM 952 OH TYR A 58 2.385 -1.968 0.702 1.00 0.00 O ATOM 0 H TYR A 58 -3.531 -0.746 -2.562 1.00 0.00 H new ATOM 0 HA TYR A 58 -2.703 2.110 -2.618 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.016 2.171 -0.403 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.035 0.767 -0.156 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.572 -1.433 -1.486 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.063 1.862 0.821 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.415 -2.770 -0.857 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.907 0.511 1.463 1.00 0.00 H new ATOM 0 HH TYR A 58 2.140 -2.586 1.422 1.00 0.00 H new ATOM 962 N GLN A 59 -0.376 1.470 -3.290 1.00 0.00 N ATOM 963 CA GLN A 59 0.835 1.095 -4.071 1.00 0.00 C ATOM 964 C GLN A 59 2.077 1.448 -3.245 1.00 0.00 C ATOM 965 O GLN A 59 2.282 2.586 -2.877 1.00 0.00 O ATOM 966 CB GLN A 59 0.751 1.939 -5.350 1.00 0.00 C ATOM 967 CG GLN A 59 2.156 2.244 -5.884 1.00 0.00 C ATOM 968 CD GLN A 59 2.102 2.400 -7.406 1.00 0.00 C ATOM 969 OE1 GLN A 59 1.045 2.318 -7.999 1.00 0.00 O ATOM 970 NE2 GLN A 59 3.205 2.623 -8.065 1.00 0.00 N ATOM 0 H GLN A 59 -0.391 2.438 -2.968 1.00 0.00 H new ATOM 0 HA GLN A 59 0.894 0.033 -4.308 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.175 1.407 -6.107 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.223 2.870 -5.144 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.540 3.157 -5.428 1.00 0.00 H new ATOM 0 HG3 GLN A 59 2.841 1.440 -5.614 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.092 2.692 -7.566 1.00 0.00 H new ATOM 0 HE22 GLN A 59 3.181 2.729 -9.079 1.00 0.00 H new ATOM 979 N LEU A 60 2.902 0.489 -2.944 1.00 0.00 N ATOM 980 CA LEU A 60 4.115 0.787 -2.136 1.00 0.00 C ATOM 981 C LEU A 60 5.362 0.452 -2.945 1.00 0.00 C ATOM 982 O LEU A 60 6.063 -0.500 -2.667 1.00 0.00 O ATOM 983 CB LEU A 60 3.992 -0.115 -0.904 1.00 0.00 C ATOM 984 CG LEU A 60 5.277 -0.050 -0.075 1.00 0.00 C ATOM 985 CD1 LEU A 60 5.105 0.958 1.063 1.00 0.00 C ATOM 986 CD2 LEU A 60 5.569 -1.431 0.518 1.00 0.00 C ATOM 0 H LEU A 60 2.791 -0.486 -3.221 1.00 0.00 H new ATOM 0 HA LEU A 60 4.195 1.837 -1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.142 0.198 -0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.801 -1.143 -1.213 1.00 0.00 H new ATOM 0 HG LEU A 60 6.103 0.260 -0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.021 1.002 1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.893 1.943 0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.278 0.648 1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.484 -1.387 1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.739 -1.736 1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.692 -2.154 -0.288 1.00 0.00 H new ATOM 998 N TYR A 61 5.651 1.241 -3.944 1.00 0.00 N ATOM 999 CA TYR A 61 6.856 0.980 -4.770 1.00 0.00 C ATOM 1000 C TYR A 61 8.091 1.286 -3.928 1.00 0.00 C ATOM 1001 O TYR A 61 8.348 2.419 -3.585 1.00 0.00 O ATOM 1002 CB TYR A 61 6.705 1.934 -5.953 1.00 0.00 C ATOM 1003 CG TYR A 61 8.040 2.163 -6.632 1.00 0.00 C ATOM 1004 CD1 TYR A 61 9.062 1.210 -6.530 1.00 0.00 C ATOM 1005 CD2 TYR A 61 8.252 3.336 -7.367 1.00 0.00 C ATOM 1006 CE1 TYR A 61 10.293 1.433 -7.160 1.00 0.00 C ATOM 1007 CE2 TYR A 61 9.482 3.559 -7.995 1.00 0.00 C ATOM 1008 CZ TYR A 61 10.504 2.609 -7.891 1.00 0.00 C ATOM 1009 OH TYR A 61 11.717 2.832 -8.508 1.00 0.00 O ATOM 0 H TYR A 61 5.102 2.055 -4.221 1.00 0.00 H new ATOM 0 HA TYR A 61 6.960 -0.049 -5.113 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.993 1.523 -6.669 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.298 2.885 -5.610 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.901 0.303 -5.966 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.464 4.070 -7.449 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.080 0.698 -7.082 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.643 4.465 -8.560 1.00 0.00 H new ATOM 0 HH TYR A 61 11.694 3.694 -8.973 1.00 0.00 H new ATOM 1019 N VAL A 62 8.837 0.276 -3.568 1.00 0.00 N ATOM 1020 CA VAL A 62 10.036 0.501 -2.715 1.00 0.00 C ATOM 1021 C VAL A 62 10.990 -0.680 -2.844 1.00 0.00 C ATOM 1022 O VAL A 62 10.867 -1.495 -3.736 1.00 0.00 O ATOM 1023 CB VAL A 62 9.484 0.584 -1.292 1.00 0.00 C ATOM 1024 CG1 VAL A 62 8.585 1.813 -1.164 1.00 0.00 C ATOM 1025 CG2 VAL A 62 8.663 -0.669 -0.989 1.00 0.00 C ATOM 0 H VAL A 62 8.666 -0.695 -3.829 1.00 0.00 H new ATOM 0 HA VAL A 62 10.591 1.396 -2.996 1.00 0.00 H new ATOM 0 HB VAL A 62 10.313 0.660 -0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.192 1.872 -0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.163 2.711 -1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.758 1.734 -1.870 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.270 -0.610 0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.836 -0.742 -1.695 1.00 0.00 H new ATOM 0 HG23 VAL A 62 9.297 -1.551 -1.081 1.00 0.00 H new ATOM 1035 N TYR A 63 11.931 -0.789 -1.955 1.00 0.00 N ATOM 1036 CA TYR A 63 12.878 -1.931 -2.030 1.00 0.00 C ATOM 1037 C TYR A 63 13.148 -2.480 -0.631 1.00 0.00 C ATOM 1038 O TYR A 63 13.461 -1.747 0.286 1.00 0.00 O ATOM 1039 CB TYR A 63 14.160 -1.368 -2.637 1.00 0.00 C ATOM 1040 CG TYR A 63 15.170 -2.481 -2.814 1.00 0.00 C ATOM 1041 CD1 TYR A 63 14.752 -3.819 -2.881 1.00 0.00 C ATOM 1042 CD2 TYR A 63 16.529 -2.170 -2.914 1.00 0.00 C ATOM 1043 CE1 TYR A 63 15.696 -4.840 -3.047 1.00 0.00 C ATOM 1044 CE2 TYR A 63 17.473 -3.191 -3.082 1.00 0.00 C ATOM 1045 CZ TYR A 63 17.056 -4.526 -3.149 1.00 0.00 C ATOM 1046 OH TYR A 63 17.987 -5.531 -3.314 1.00 0.00 O ATOM 0 H TYR A 63 12.086 -0.141 -1.183 1.00 0.00 H new ATOM 0 HA TYR A 63 12.479 -2.750 -2.629 1.00 0.00 H new ATOM 0 HB2 TYR A 63 13.945 -0.902 -3.599 1.00 0.00 H new ATOM 0 HB3 TYR A 63 14.569 -0.591 -1.991 1.00 0.00 H new ATOM 0 HD1 TYR A 63 13.702 -4.061 -2.805 1.00 0.00 H new ATOM 0 HD2 TYR A 63 16.852 -1.141 -2.862 1.00 0.00 H new ATOM 0 HE1 TYR A 63 15.374 -5.870 -3.096 1.00 0.00 H new ATOM 0 HE2 TYR A 63 18.523 -2.949 -3.160 1.00 0.00 H new ATOM 0 HH TYR A 63 18.751 -5.189 -3.823 1.00 0.00 H new ATOM 1056 N ALA A 64 13.029 -3.763 -0.462 1.00 0.00 N ATOM 1057 CA ALA A 64 13.277 -4.363 0.875 1.00 0.00 C ATOM 1058 C ALA A 64 14.353 -5.447 0.761 1.00 0.00 C ATOM 1059 O ALA A 64 15.391 -5.236 0.166 1.00 0.00 O ATOM 1060 CB ALA A 64 11.935 -4.964 1.276 1.00 0.00 C ATOM 0 H ALA A 64 12.770 -4.425 -1.194 1.00 0.00 H new ATOM 0 HA ALA A 64 13.633 -3.641 1.610 1.00 0.00 H new ATOM 0 HB1 ALA A 64 12.024 -5.432 2.257 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.182 -4.177 1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.638 -5.713 0.542 1.00 0.00 H new ATOM 1066 N SER A 65 14.114 -6.608 1.313 1.00 0.00 N ATOM 1067 CA SER A 65 15.125 -7.698 1.208 1.00 0.00 C ATOM 1068 C SER A 65 14.980 -8.391 -0.148 1.00 0.00 C ATOM 1069 O SER A 65 15.929 -8.908 -0.703 1.00 0.00 O ATOM 1070 CB SER A 65 14.790 -8.663 2.346 1.00 0.00 C ATOM 1071 OG SER A 65 13.467 -9.152 2.172 1.00 0.00 O ATOM 0 H SER A 65 13.267 -6.846 1.829 1.00 0.00 H new ATOM 0 HA SER A 65 16.150 -7.334 1.282 1.00 0.00 H new ATOM 0 HB2 SER A 65 15.498 -9.492 2.356 1.00 0.00 H new ATOM 0 HB3 SER A 65 14.879 -8.156 3.307 1.00 0.00 H new ATOM 0 HG SER A 65 13.249 -9.772 2.899 1.00 0.00 H new ATOM 1077 N ASP A 66 13.789 -8.392 -0.685 1.00 0.00 N ATOM 1078 CA ASP A 66 13.556 -9.035 -2.010 1.00 0.00 C ATOM 1079 C ASP A 66 12.369 -8.362 -2.708 1.00 0.00 C ATOM 1080 O ASP A 66 11.782 -8.905 -3.623 1.00 0.00 O ATOM 1081 CB ASP A 66 13.236 -10.496 -1.691 1.00 0.00 C ATOM 1082 CG ASP A 66 14.457 -11.364 -1.996 1.00 0.00 C ATOM 1083 OD1 ASP A 66 15.407 -11.307 -1.232 1.00 0.00 O ATOM 1084 OD2 ASP A 66 14.423 -12.073 -2.989 1.00 0.00 O ATOM 0 H ASP A 66 12.963 -7.972 -0.259 1.00 0.00 H new ATOM 0 HA ASP A 66 14.414 -8.947 -2.676 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.957 -10.598 -0.642 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.383 -10.830 -2.281 1.00 0.00 H new ATOM 1089 N LYS A 67 12.014 -7.183 -2.275 1.00 0.00 N ATOM 1090 CA LYS A 67 10.867 -6.462 -2.900 1.00 0.00 C ATOM 1091 C LYS A 67 11.372 -5.328 -3.788 1.00 0.00 C ATOM 1092 O LYS A 67 11.252 -4.165 -3.461 1.00 0.00 O ATOM 1093 CB LYS A 67 10.078 -5.897 -1.734 1.00 0.00 C ATOM 1094 CG LYS A 67 9.069 -4.874 -2.252 1.00 0.00 C ATOM 1095 CD LYS A 67 9.239 -3.569 -1.483 1.00 0.00 C ATOM 1096 CE LYS A 67 9.004 -3.824 0.006 1.00 0.00 C ATOM 1097 NZ LYS A 67 7.523 -3.811 0.171 1.00 0.00 N ATOM 0 H LYS A 67 12.471 -6.685 -1.511 1.00 0.00 H new ATOM 0 HA LYS A 67 10.265 -7.118 -3.529 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.561 -6.699 -1.208 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.752 -5.428 -1.017 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.220 -4.704 -3.318 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.054 -5.252 -2.130 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.240 -3.168 -1.641 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.535 -2.823 -1.851 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.427 -4.780 0.314 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.476 -3.055 0.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.270 -3.219 0.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.081 -3.424 -0.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.183 -4.781 0.328 1.00 0.00 H new ATOM 1111 N LEU A 68 11.907 -5.660 -4.915 1.00 0.00 N ATOM 1112 CA LEU A 68 12.398 -4.611 -5.853 1.00 0.00 C ATOM 1113 C LEU A 68 11.231 -4.131 -6.700 1.00 0.00 C ATOM 1114 O LEU A 68 11.206 -4.322 -7.900 1.00 0.00 O ATOM 1115 CB LEU A 68 13.433 -5.307 -6.732 1.00 0.00 C ATOM 1116 CG LEU A 68 14.756 -4.544 -6.669 1.00 0.00 C ATOM 1117 CD1 LEU A 68 15.777 -5.354 -5.868 1.00 0.00 C ATOM 1118 CD2 LEU A 68 15.283 -4.323 -8.089 1.00 0.00 C ATOM 0 H LEU A 68 12.030 -6.620 -5.238 1.00 0.00 H new ATOM 0 HA LEU A 68 12.825 -3.750 -5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 68 13.578 -6.334 -6.397 1.00 0.00 H new ATOM 0 HB3 LEU A 68 13.078 -5.355 -7.761 1.00 0.00 H new ATOM 0 HG LEU A 68 14.597 -3.581 -6.184 1.00 0.00 H new ATOM 0 HD11 LEU A 68 16.720 -4.809 -5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 68 15.402 -5.514 -4.857 1.00 0.00 H new ATOM 0 HD13 LEU A 68 15.937 -6.318 -6.352 1.00 0.00 H new ATOM 0 HD21 LEU A 68 16.227 -3.779 -8.046 1.00 0.00 H new ATOM 0 HD22 LEU A 68 15.441 -5.287 -8.572 1.00 0.00 H new ATOM 0 HD23 LEU A 68 14.557 -3.745 -8.661 1.00 0.00 H new ATOM 1130 N PHE A 69 10.254 -3.523 -6.092 1.00 0.00 N ATOM 1131 CA PHE A 69 9.089 -3.057 -6.883 1.00 0.00 C ATOM 1132 C PHE A 69 8.030 -2.432 -5.964 1.00 0.00 C ATOM 1133 O PHE A 69 8.330 -1.547 -5.189 1.00 0.00 O ATOM 1134 CB PHE A 69 8.575 -4.317 -7.597 1.00 0.00 C ATOM 1135 CG PHE A 69 8.610 -5.521 -6.682 1.00 0.00 C ATOM 1136 CD1 PHE A 69 8.138 -5.440 -5.365 1.00 0.00 C ATOM 1137 CD2 PHE A 69 9.113 -6.735 -7.169 1.00 0.00 C ATOM 1138 CE1 PHE A 69 8.171 -6.571 -4.541 1.00 0.00 C ATOM 1139 CE2 PHE A 69 9.146 -7.863 -6.344 1.00 0.00 C ATOM 1140 CZ PHE A 69 8.675 -7.782 -5.031 1.00 0.00 C ATOM 0 H PHE A 69 10.213 -3.331 -5.091 1.00 0.00 H new ATOM 0 HA PHE A 69 9.345 -2.277 -7.599 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.555 -4.151 -7.943 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.184 -4.511 -8.480 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.749 -4.506 -4.986 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.476 -6.799 -8.184 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.807 -6.510 -3.526 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.535 -8.797 -6.721 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.700 -8.654 -4.394 1.00 0.00 H new ATOM 1150 N ARG A 70 6.794 -2.859 -6.039 1.00 0.00 N ATOM 1151 CA ARG A 70 5.759 -2.241 -5.163 1.00 0.00 C ATOM 1152 C ARG A 70 4.905 -3.286 -4.468 1.00 0.00 C ATOM 1153 O ARG A 70 4.285 -4.122 -5.098 1.00 0.00 O ATOM 1154 CB ARG A 70 4.874 -1.424 -6.105 1.00 0.00 C ATOM 1155 CG ARG A 70 3.617 -0.920 -5.362 1.00 0.00 C ATOM 1156 CD ARG A 70 2.474 -0.750 -6.366 1.00 0.00 C ATOM 1157 NE ARG A 70 3.089 -0.074 -7.543 1.00 0.00 N ATOM 1158 CZ ARG A 70 2.667 -0.349 -8.746 1.00 0.00 C ATOM 1159 NH1 ARG A 70 1.396 -0.256 -9.031 1.00 0.00 N ATOM 1160 NH2 ARG A 70 3.516 -0.718 -9.667 1.00 0.00 N ATOM 0 H ARG A 70 6.463 -3.598 -6.660 1.00 0.00 H new ATOM 0 HA ARG A 70 6.228 -1.644 -4.380 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.436 -0.577 -6.498 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.579 -2.035 -6.958 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.331 -1.628 -4.584 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.828 0.029 -4.868 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.046 -1.713 -6.644 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.666 -0.152 -5.946 1.00 0.00 H new ATOM 0 HE ARG A 70 3.840 0.603 -7.408 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.732 0.032 -8.312 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.067 -0.471 -9.972 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.509 -0.791 -9.445 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.186 -0.933 -10.608 1.00 0.00 H new ATOM 1174 N ALA A 71 4.807 -3.193 -3.178 1.00 0.00 N ATOM 1175 CA ALA A 71 3.921 -4.119 -2.448 1.00 0.00 C ATOM 1176 C ALA A 71 2.525 -3.512 -2.530 1.00 0.00 C ATOM 1177 O ALA A 71 2.235 -2.543 -1.866 1.00 0.00 O ATOM 1178 CB ALA A 71 4.433 -4.135 -1.007 1.00 0.00 C ATOM 0 H ALA A 71 5.303 -2.515 -2.600 1.00 0.00 H new ATOM 0 HA ALA A 71 3.901 -5.135 -2.842 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.816 -4.806 -0.409 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.466 -4.482 -0.992 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.382 -3.129 -0.592 1.00 0.00 H new ATOM 1184 N ASP A 72 1.680 -4.026 -3.376 1.00 0.00 N ATOM 1185 CA ASP A 72 0.323 -3.425 -3.519 1.00 0.00 C ATOM 1186 C ASP A 72 -0.635 -4.019 -2.492 1.00 0.00 C ATOM 1187 O ASP A 72 -0.305 -4.952 -1.792 1.00 0.00 O ATOM 1188 CB ASP A 72 -0.122 -3.787 -4.936 1.00 0.00 C ATOM 1189 CG ASP A 72 -0.020 -2.555 -5.836 1.00 0.00 C ATOM 1190 OD1 ASP A 72 -0.231 -1.462 -5.338 1.00 0.00 O ATOM 1191 OD2 ASP A 72 0.268 -2.726 -7.009 1.00 0.00 O ATOM 0 H ASP A 72 1.866 -4.832 -3.973 1.00 0.00 H new ATOM 0 HA ASP A 72 0.333 -2.348 -3.354 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.501 -4.590 -5.330 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.147 -4.156 -4.923 1.00 0.00 H new ATOM 1196 N ILE A 73 -1.821 -3.488 -2.401 1.00 0.00 N ATOM 1197 CA ILE A 73 -2.807 -4.028 -1.426 1.00 0.00 C ATOM 1198 C ILE A 73 -4.190 -3.439 -1.705 1.00 0.00 C ATOM 1199 O ILE A 73 -4.350 -2.246 -1.865 1.00 0.00 O ATOM 1200 CB ILE A 73 -2.281 -3.622 -0.036 1.00 0.00 C ATOM 1201 CG1 ILE A 73 -2.607 -4.735 0.965 1.00 0.00 C ATOM 1202 CG2 ILE A 73 -2.929 -2.314 0.442 1.00 0.00 C ATOM 1203 CD1 ILE A 73 -4.121 -4.825 1.157 1.00 0.00 C ATOM 0 H ILE A 73 -2.151 -2.702 -2.961 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.913 -5.111 -1.495 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.204 -3.469 -0.105 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.219 -5.688 0.604 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.121 -4.533 1.919 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.538 -2.053 1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.700 -1.515 -0.263 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.009 -2.445 0.504 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.351 -5.617 1.869 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.497 -3.875 1.537 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.596 -5.047 0.202 1.00 0.00 H new ATOM 1215 N SER A 74 -5.192 -4.266 -1.769 1.00 0.00 N ATOM 1216 CA SER A 74 -6.558 -3.749 -2.037 1.00 0.00 C ATOM 1217 C SER A 74 -7.494 -4.157 -0.892 1.00 0.00 C ATOM 1218 O SER A 74 -7.208 -5.081 -0.154 1.00 0.00 O ATOM 1219 CB SER A 74 -6.982 -4.417 -3.345 1.00 0.00 C ATOM 1220 OG SER A 74 -7.826 -3.535 -4.073 1.00 0.00 O ATOM 0 H SER A 74 -5.124 -5.276 -1.647 1.00 0.00 H new ATOM 0 HA SER A 74 -6.592 -2.662 -2.111 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.103 -4.670 -3.938 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.506 -5.350 -3.137 1.00 0.00 H new ATOM 0 HG SER A 74 -8.098 -3.961 -4.913 1.00 0.00 H new ATOM 1226 N GLU A 75 -8.605 -3.485 -0.726 1.00 0.00 N ATOM 1227 CA GLU A 75 -9.530 -3.860 0.389 1.00 0.00 C ATOM 1228 C GLU A 75 -10.986 -3.496 0.068 1.00 0.00 C ATOM 1229 O GLU A 75 -11.360 -2.340 0.068 1.00 0.00 O ATOM 1230 CB GLU A 75 -9.036 -3.051 1.590 1.00 0.00 C ATOM 1231 CG GLU A 75 -8.344 -3.984 2.585 1.00 0.00 C ATOM 1232 CD GLU A 75 -7.977 -3.201 3.847 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -7.734 -2.011 3.733 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -7.946 -3.805 4.907 1.00 0.00 O ATOM 0 H GLU A 75 -8.910 -2.703 -1.305 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.522 -4.935 0.568 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.344 -2.276 1.260 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.874 -2.546 2.071 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.002 -4.815 2.838 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.448 -4.412 2.136 1.00 0.00 H new ATOM 1241 N ASP A 76 -11.814 -4.479 -0.188 1.00 0.00 N ATOM 1242 CA ASP A 76 -13.256 -4.192 -0.487 1.00 0.00 C ATOM 1243 C ASP A 76 -13.793 -3.122 0.475 1.00 0.00 C ATOM 1244 O ASP A 76 -13.158 -2.799 1.460 1.00 0.00 O ATOM 1245 CB ASP A 76 -13.974 -5.537 -0.279 1.00 0.00 C ATOM 1246 CG ASP A 76 -14.486 -5.664 1.162 1.00 0.00 C ATOM 1247 OD1 ASP A 76 -15.446 -4.985 1.491 1.00 0.00 O ATOM 1248 OD2 ASP A 76 -13.909 -6.435 1.910 1.00 0.00 O ATOM 0 H ASP A 76 -11.557 -5.466 -0.203 1.00 0.00 H new ATOM 0 HA ASP A 76 -13.408 -3.805 -1.495 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.809 -5.620 -0.975 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -13.291 -6.357 -0.501 1.00 0.00 H new ATOM 1365 N LYS A 83 -9.283 -8.146 0.032 1.00 0.00 N ATOM 1366 CA LYS A 83 -7.976 -7.960 0.720 1.00 0.00 C ATOM 1367 C LYS A 83 -6.902 -8.722 -0.057 1.00 0.00 C ATOM 1368 O LYS A 83 -7.055 -9.890 -0.355 1.00 0.00 O ATOM 1369 CB LYS A 83 -8.167 -8.562 2.114 1.00 0.00 C ATOM 1370 CG LYS A 83 -7.655 -7.579 3.169 1.00 0.00 C ATOM 1371 CD LYS A 83 -8.446 -7.763 4.466 1.00 0.00 C ATOM 1372 CE LYS A 83 -7.737 -8.787 5.355 1.00 0.00 C ATOM 1373 NZ LYS A 83 -8.699 -9.072 6.456 1.00 0.00 N ATOM 0 HA LYS A 83 -7.668 -6.916 0.781 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.221 -8.780 2.286 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.629 -9.507 2.191 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.593 -7.746 3.351 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.760 -6.556 2.809 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.534 -6.811 4.989 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.459 -8.099 4.242 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.494 -9.692 4.798 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.799 -8.390 5.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.284 -9.767 7.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -8.906 -8.193 6.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -9.580 -9.455 6.057 1.00 0.00 H new ATOM 1387 N LEU A 84 -5.827 -8.076 -0.409 1.00 0.00 N ATOM 1388 CA LEU A 84 -4.771 -8.778 -1.188 1.00 0.00 C ATOM 1389 C LEU A 84 -3.531 -7.894 -1.291 1.00 0.00 C ATOM 1390 O LEU A 84 -3.431 -6.879 -0.635 1.00 0.00 O ATOM 1391 CB LEU A 84 -5.397 -8.996 -2.569 1.00 0.00 C ATOM 1392 CG LEU A 84 -4.934 -10.331 -3.157 1.00 0.00 C ATOM 1393 CD1 LEU A 84 -5.160 -11.453 -2.142 1.00 0.00 C ATOM 1394 CD2 LEU A 84 -5.735 -10.629 -4.427 1.00 0.00 C ATOM 0 H LEU A 84 -5.634 -7.098 -0.193 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.456 -9.715 -0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.484 -8.983 -2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.117 -8.180 -3.236 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.872 -10.270 -3.395 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.828 -12.400 -2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.592 -11.243 -1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.221 -11.516 -1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.408 -11.579 -4.849 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.796 -10.686 -4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.572 -9.834 -5.155 1.00 0.00 H new ATOM 1406 N LEU A 85 -2.591 -8.264 -2.114 1.00 0.00 N ATOM 1407 CA LEU A 85 -1.365 -7.435 -2.262 1.00 0.00 C ATOM 1408 C LEU A 85 -0.531 -7.951 -3.443 1.00 0.00 C ATOM 1409 O LEU A 85 -0.758 -9.033 -3.946 1.00 0.00 O ATOM 1410 CB LEU A 85 -0.641 -7.570 -0.907 1.00 0.00 C ATOM 1411 CG LEU A 85 0.595 -8.469 -1.012 1.00 0.00 C ATOM 1412 CD1 LEU A 85 1.486 -8.228 0.207 1.00 0.00 C ATOM 1413 CD2 LEU A 85 0.154 -9.935 -1.049 1.00 0.00 C ATOM 0 H LEU A 85 -2.619 -9.105 -2.690 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.566 -6.387 -2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.344 -6.583 -0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.328 -7.981 -0.167 1.00 0.00 H new ATOM 0 HG LEU A 85 1.149 -8.239 -1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.370 -8.863 0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.792 -7.182 0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.933 -8.467 1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.032 -10.577 -1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.393 -10.173 -0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.490 -10.099 -1.913 1.00 0.00 H new ATOM 1425 N ARG A 86 0.429 -7.186 -3.892 1.00 0.00 N ATOM 1426 CA ARG A 86 1.263 -7.646 -5.044 1.00 0.00 C ATOM 1427 C ARG A 86 2.706 -7.152 -4.900 1.00 0.00 C ATOM 1428 O ARG A 86 2.961 -6.061 -4.435 1.00 0.00 O ATOM 1429 CB ARG A 86 0.613 -7.036 -6.291 1.00 0.00 C ATOM 1430 CG ARG A 86 -0.912 -7.094 -6.165 1.00 0.00 C ATOM 1431 CD ARG A 86 -1.545 -6.938 -7.549 1.00 0.00 C ATOM 1432 NE ARG A 86 -2.455 -5.765 -7.425 1.00 0.00 N ATOM 1433 CZ ARG A 86 -3.686 -5.934 -7.026 1.00 0.00 C ATOM 1434 NH1 ARG A 86 -3.934 -6.616 -5.941 1.00 0.00 N ATOM 1435 NH2 ARG A 86 -4.670 -5.420 -7.713 1.00 0.00 N ATOM 0 H ARG A 86 0.671 -6.270 -3.515 1.00 0.00 H new ATOM 0 HA ARG A 86 1.305 -8.734 -5.098 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.938 -6.003 -6.412 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.934 -7.577 -7.181 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.215 -8.042 -5.720 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.263 -6.303 -5.502 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.786 -6.770 -8.314 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.094 -7.835 -7.836 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.116 -4.830 -7.652 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.165 -7.017 -5.404 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.897 -6.747 -5.630 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.476 -4.887 -8.561 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.632 -5.552 -7.402 1.00 0.00 H new ATOM 1449 N PHE A 87 3.646 -7.959 -5.305 1.00 0.00 N ATOM 1450 CA PHE A 87 5.087 -7.573 -5.211 1.00 0.00 C ATOM 1451 C PHE A 87 5.668 -7.458 -6.622 1.00 0.00 C ATOM 1452 O PHE A 87 6.416 -8.309 -7.062 1.00 0.00 O ATOM 1453 CB PHE A 87 5.747 -8.726 -4.436 1.00 0.00 C ATOM 1454 CG PHE A 87 4.825 -9.175 -3.323 1.00 0.00 C ATOM 1455 CD1 PHE A 87 3.737 -10.011 -3.611 1.00 0.00 C ATOM 1456 CD2 PHE A 87 5.038 -8.733 -2.010 1.00 0.00 C ATOM 1457 CE1 PHE A 87 2.871 -10.406 -2.589 1.00 0.00 C ATOM 1458 CE2 PHE A 87 4.164 -9.126 -0.992 1.00 0.00 C ATOM 1459 CZ PHE A 87 3.082 -9.963 -1.286 1.00 0.00 C ATOM 0 H PHE A 87 3.477 -8.883 -5.703 1.00 0.00 H new ATOM 0 HA PHE A 87 5.247 -6.615 -4.717 1.00 0.00 H new ATOM 0 HB2 PHE A 87 5.956 -9.558 -5.108 1.00 0.00 H new ATOM 0 HB3 PHE A 87 6.702 -8.402 -4.023 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.569 -10.349 -4.623 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.876 -8.090 -1.785 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.037 -11.056 -2.810 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.324 -8.784 0.020 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.408 -10.267 -0.499 1.00 0.00 H new ATOM 1469 N ASN A 88 5.330 -6.417 -7.347 1.00 0.00 N ATOM 1470 CA ASN A 88 5.878 -6.284 -8.731 1.00 0.00 C ATOM 1471 C ASN A 88 5.807 -4.846 -9.231 1.00 0.00 C ATOM 1472 O ASN A 88 5.662 -3.913 -8.466 1.00 0.00 O ATOM 1473 CB ASN A 88 5.047 -7.194 -9.629 1.00 0.00 C ATOM 1474 CG ASN A 88 3.621 -7.337 -9.085 1.00 0.00 C ATOM 1475 OD1 ASN A 88 2.868 -6.383 -9.062 1.00 0.00 O ATOM 1476 ND2 ASN A 88 3.216 -8.497 -8.645 1.00 0.00 N ATOM 0 H ASN A 88 4.709 -5.666 -7.045 1.00 0.00 H new ATOM 0 HA ASN A 88 6.931 -6.567 -8.741 1.00 0.00 H new ATOM 0 HB2 ASN A 88 5.017 -6.787 -10.640 1.00 0.00 H new ATOM 0 HB3 ASN A 88 5.517 -8.175 -9.695 1.00 0.00 H new ATOM 0 HD21 ASN A 88 2.268 -8.602 -8.282 1.00 0.00 H new ATOM 0 HD22 ASN A 88 3.847 -9.298 -8.664 1.00 0.00 H new ATOM 1483 N GLY A 89 5.968 -4.654 -10.512 1.00 0.00 N ATOM 1484 CA GLY A 89 5.993 -3.270 -11.041 1.00 0.00 C ATOM 1485 C GLY A 89 7.313 -2.701 -10.548 1.00 0.00 C ATOM 1486 O GLY A 89 7.358 -1.682 -9.888 1.00 0.00 O ATOM 0 H GLY A 89 6.082 -5.392 -11.207 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.938 -3.260 -12.130 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.148 -2.689 -10.673 1.00 0.00 H new ATOM 1490 N PRO A 90 8.349 -3.454 -10.831 1.00 0.00 N ATOM 1491 CA PRO A 90 9.705 -3.111 -10.355 1.00 0.00 C ATOM 1492 C PRO A 90 10.226 -1.806 -10.949 1.00 0.00 C ATOM 1493 O PRO A 90 9.525 -1.086 -11.634 1.00 0.00 O ATOM 1494 CB PRO A 90 10.558 -4.300 -10.797 1.00 0.00 C ATOM 1495 CG PRO A 90 9.811 -4.888 -11.945 1.00 0.00 C ATOM 1496 CD PRO A 90 8.354 -4.683 -11.636 1.00 0.00 C ATOM 0 HA PRO A 90 9.725 -2.945 -9.278 1.00 0.00 H new ATOM 0 HB2 PRO A 90 11.558 -3.983 -11.094 1.00 0.00 H new ATOM 0 HB3 PRO A 90 10.680 -5.023 -9.990 1.00 0.00 H new ATOM 0 HG2 PRO A 90 10.084 -4.400 -12.880 1.00 0.00 H new ATOM 0 HG3 PRO A 90 10.041 -5.947 -12.059 1.00 0.00 H new ATOM 0 HD2 PRO A 90 7.762 -4.571 -12.544 1.00 0.00 H new ATOM 0 HD3 PRO A 90 7.937 -5.526 -11.085 1.00 0.00 H new ATOM 1504 N VAL A 91 11.461 -1.499 -10.668 1.00 0.00 N ATOM 1505 CA VAL A 91 12.070 -0.242 -11.179 1.00 0.00 C ATOM 1506 C VAL A 91 13.306 -0.562 -12.026 1.00 0.00 C ATOM 1507 O VAL A 91 13.606 0.213 -12.919 1.00 0.00 O ATOM 1508 CB VAL A 91 12.460 0.538 -9.917 1.00 0.00 C ATOM 1509 CG1 VAL A 91 13.059 -0.416 -8.877 1.00 0.00 C ATOM 1510 CG2 VAL A 91 13.493 1.609 -10.271 1.00 0.00 C ATOM 0 H VAL A 91 12.082 -2.074 -10.098 1.00 0.00 H new ATOM 0 HA VAL A 91 11.392 0.325 -11.817 1.00 0.00 H new ATOM 0 HB VAL A 91 11.569 1.011 -9.504 1.00 0.00 H new ATOM 0 HG11 VAL A 91 13.333 0.145 -7.984 1.00 0.00 H new ATOM 0 HG12 VAL A 91 12.324 -1.177 -8.616 1.00 0.00 H new ATOM 0 HG13 VAL A 91 13.946 -0.895 -9.291 1.00 0.00 H new ATOM 0 HG21 VAL A 91 13.768 2.161 -9.372 1.00 0.00 H new ATOM 0 HG22 VAL A 91 14.380 1.134 -10.690 1.00 0.00 H new ATOM 0 HG23 VAL A 91 13.069 2.296 -11.003 1.00 0.00 H new