USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 873 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 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 113 MET CE :methyl 173:sc= 0 (180deg=-0.0703) USER MOD Set 2.1: A 111 THR OG1 : rot 180:sc= 0.204 USER MOD Set 2.2: A 142 THR OG1 : rot -96:sc= 0.131 USER MOD Set 3.1: A 97 GLN : amide:sc= 0 K(o=0.016,f=-1.6!) USER MOD Set 3.2: A 119 LYS NZ :NH3+ -127:sc= 0.016 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -111:sc= 1.09 (180deg=-0.256!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 105:sc= 0.749 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 176:sc= 0.556 (180deg=0.505) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0.42) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -0.0197 X(o=-0.02,f=-0.11) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.14 X(o=-0.14,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.0443 X(o=-0.044,f=-0.044) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 4:sc= 0.056 USER MOD Single : A 102 SER OG : rot -85:sc= 0.542 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot -178:sc= 0.969 USER MOD Single : A 118 SER OG : rot -60:sc= 0.0638 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot -48:sc= 1.54 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0.43) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 130 TYR OH : rot 143:sc= 0.113 USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 138 CYS SG : rot -172:sc= 0.422 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 1.15 (180deg=1.15) USER MOD Single : A 145 THR OG1 : rot 180:sc= -0.0297 USER MOD ----------------------------------------------------------------- ATOM 42 N GLU A 35 -3.251 22.011 -0.725 1.00 0.00 N ATOM 43 CA GLU A 35 -3.692 21.274 -1.944 1.00 0.00 C ATOM 44 C GLU A 35 -3.025 19.865 -2.034 1.00 0.00 C ATOM 45 O GLU A 35 -1.798 19.754 -2.162 1.00 0.00 O ATOM 46 CB GLU A 35 -3.367 22.118 -3.204 1.00 0.00 C ATOM 47 CG GLU A 35 -4.181 23.427 -3.370 1.00 0.00 C ATOM 48 CD GLU A 35 -3.745 24.250 -4.570 1.00 0.00 C ATOM 49 OE1 GLU A 35 -2.803 25.056 -4.426 1.00 0.00 O ATOM 50 OE2 GLU A 35 -4.342 24.093 -5.654 1.00 0.00 O ATOM 0 HA GLU A 35 -4.769 21.117 -1.883 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.307 22.372 -3.184 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.530 21.497 -4.085 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.238 23.181 -3.470 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.078 24.029 -2.467 1.00 0.00 H new ATOM 57 N TRP A 36 -3.866 18.815 -1.935 1.00 0.00 N ATOM 58 CA TRP A 36 -3.452 17.381 -1.867 1.00 0.00 C ATOM 59 C TRP A 36 -3.110 17.009 -0.398 1.00 0.00 C ATOM 60 O TRP A 36 -2.215 17.609 0.209 1.00 0.00 O ATOM 61 CB TRP A 36 -2.339 16.867 -2.828 1.00 0.00 C ATOM 62 CG TRP A 36 -2.478 17.071 -4.345 1.00 0.00 C ATOM 63 CD1 TRP A 36 -3.483 17.754 -5.071 1.00 0.00 C ATOM 64 CD2 TRP A 36 -1.605 16.590 -5.304 1.00 0.00 C ATOM 65 NE1 TRP A 36 -3.259 17.703 -6.457 1.00 0.00 N ATOM 66 CE2 TRP A 36 -2.097 16.962 -6.580 1.00 0.00 C ATOM 67 CE3 TRP A 36 -0.403 15.845 -5.189 1.00 0.00 C ATOM 68 CZ2 TRP A 36 -1.407 16.568 -7.751 1.00 0.00 C ATOM 69 CZ3 TRP A 36 0.286 15.513 -6.356 1.00 0.00 C ATOM 70 CH2 TRP A 36 -0.215 15.856 -7.617 1.00 0.00 C ATOM 0 H TRP A 36 -4.878 18.934 -1.899 1.00 0.00 H new ATOM 0 HA TRP A 36 -4.331 16.859 -2.246 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.404 17.337 -2.522 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.229 15.797 -2.654 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -4.323 18.255 -4.613 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.822 18.116 -7.200 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.030 15.542 -4.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.795 16.814 -8.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.223 14.981 -6.285 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.331 15.564 -8.502 1.00 0.00 H new ATOM 81 N LEU A 37 -3.831 16.021 0.161 1.00 0.00 N ATOM 82 CA LEU A 37 -3.753 15.688 1.609 1.00 0.00 C ATOM 83 C LEU A 37 -2.638 14.642 1.874 1.00 0.00 C ATOM 84 O LEU A 37 -2.702 13.506 1.394 1.00 0.00 O ATOM 85 CB LEU A 37 -5.121 15.167 2.129 1.00 0.00 C ATOM 86 CG LEU A 37 -6.338 16.135 2.060 1.00 0.00 C ATOM 87 CD1 LEU A 37 -7.622 15.393 2.473 1.00 0.00 C ATOM 88 CD2 LEU A 37 -6.158 17.408 2.913 1.00 0.00 C ATOM 0 H LEU A 37 -4.479 15.433 -0.364 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.504 16.600 2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.374 14.269 1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.992 14.865 3.168 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.415 16.468 1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.470 16.077 2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.791 14.555 1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.516 15.022 3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.043 18.037 2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.021 17.129 3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.283 17.958 2.566 1.00 0.00 H new ATOM 100 N ASP A 38 -1.629 15.048 2.661 1.00 0.00 N ATOM 101 CA ASP A 38 -0.458 14.205 3.015 1.00 0.00 C ATOM 102 C ASP A 38 -0.683 13.221 4.213 1.00 0.00 C ATOM 103 O ASP A 38 -1.483 13.452 5.128 1.00 0.00 O ATOM 104 CB ASP A 38 0.780 15.129 3.165 1.00 0.00 C ATOM 105 CG ASP A 38 0.759 16.180 4.271 1.00 0.00 C ATOM 106 OD1 ASP A 38 -0.018 17.154 4.162 1.00 0.00 O ATOM 107 OD2 ASP A 38 1.551 16.083 5.224 1.00 0.00 O ATOM 0 H ASP A 38 -1.596 15.979 3.077 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.282 13.505 2.199 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.653 14.495 3.323 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.928 15.645 2.217 1.00 0.00 H new ATOM 112 N ILE A 39 0.053 12.098 4.151 1.00 0.00 N ATOM 113 CA ILE A 39 -0.017 10.984 5.141 1.00 0.00 C ATOM 114 C ILE A 39 1.057 11.209 6.257 1.00 0.00 C ATOM 115 O ILE A 39 0.689 11.209 7.436 1.00 0.00 O ATOM 116 CB ILE A 39 0.030 9.584 4.411 1.00 0.00 C ATOM 117 CG1 ILE A 39 -1.259 9.236 3.598 1.00 0.00 C ATOM 118 CG2 ILE A 39 0.272 8.397 5.384 1.00 0.00 C ATOM 119 CD1 ILE A 39 -1.504 9.976 2.275 1.00 0.00 C ATOM 0 H ILE A 39 0.726 11.926 3.405 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.976 10.979 5.660 1.00 0.00 H new ATOM 0 HB ILE A 39 0.870 9.705 3.727 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.239 8.168 3.383 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.119 9.415 4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.294 7.464 4.821 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.225 8.534 5.896 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.532 8.359 6.119 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.435 9.626 1.830 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.572 11.047 2.464 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.679 9.780 1.590 1.00 0.00 H new ATOM 131 N LEU A 40 2.354 11.375 5.905 1.00 0.00 N ATOM 132 CA LEU A 40 3.463 11.561 6.883 1.00 0.00 C ATOM 133 C LEU A 40 3.311 12.833 7.776 1.00 0.00 C ATOM 134 O LEU A 40 3.201 12.697 8.998 1.00 0.00 O ATOM 135 CB LEU A 40 4.809 11.476 6.089 1.00 0.00 C ATOM 136 CG LEU A 40 6.162 11.376 6.851 1.00 0.00 C ATOM 137 CD1 LEU A 40 6.609 12.675 7.553 1.00 0.00 C ATOM 138 CD2 LEU A 40 6.233 10.172 7.811 1.00 0.00 C ATOM 0 H LEU A 40 2.666 11.384 4.934 1.00 0.00 H new ATOM 0 HA LEU A 40 3.440 10.763 7.626 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.743 10.608 5.433 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.863 12.357 5.449 1.00 0.00 H new ATOM 0 HG LEU A 40 6.886 11.206 6.054 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.561 12.507 8.056 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.724 13.467 6.813 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.858 12.969 8.286 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.202 10.161 8.310 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.442 10.254 8.556 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.105 9.248 7.246 1.00 0.00 H new ATOM 150 N GLY A 41 3.327 14.036 7.177 1.00 0.00 N ATOM 151 CA GLY A 41 3.348 15.315 7.930 1.00 0.00 C ATOM 152 C GLY A 41 4.075 16.523 7.282 1.00 0.00 C ATOM 153 O GLY A 41 4.104 17.583 7.910 1.00 0.00 O ATOM 0 H GLY A 41 3.326 14.156 6.164 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.316 15.608 8.121 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.810 15.126 8.899 1.00 0.00 H new ATOM 157 N ASN A 42 4.646 16.390 6.066 1.00 0.00 N ATOM 158 CA ASN A 42 5.299 17.506 5.331 1.00 0.00 C ATOM 159 C ASN A 42 4.653 17.530 3.915 1.00 0.00 C ATOM 160 O ASN A 42 3.701 18.289 3.703 1.00 0.00 O ATOM 161 CB ASN A 42 6.855 17.392 5.359 1.00 0.00 C ATOM 162 CG ASN A 42 7.508 17.538 6.748 1.00 0.00 C ATOM 163 OD1 ASN A 42 7.544 18.623 7.328 1.00 0.00 O ATOM 164 ND2 ASN A 42 8.024 16.453 7.309 1.00 0.00 N ATOM 0 H ASN A 42 4.670 15.504 5.561 1.00 0.00 H new ATOM 0 HA ASN A 42 5.128 18.472 5.806 1.00 0.00 H new ATOM 0 HB2 ASN A 42 7.138 16.425 4.944 1.00 0.00 H new ATOM 0 HB3 ASN A 42 7.269 18.155 4.700 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.457 16.512 8.231 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.988 15.559 6.819 1.00 0.00 H new ATOM 171 N GLY A 43 5.125 16.683 2.980 1.00 0.00 N ATOM 172 CA GLY A 43 4.447 16.467 1.688 1.00 0.00 C ATOM 173 C GLY A 43 5.270 15.566 0.753 1.00 0.00 C ATOM 174 O GLY A 43 5.890 16.068 -0.188 1.00 0.00 O ATOM 0 H GLY A 43 5.977 16.135 3.097 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.471 16.015 1.861 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.272 17.428 1.205 1.00 0.00 H new ATOM 178 N LEU A 44 5.254 14.246 1.016 1.00 0.00 N ATOM 179 CA LEU A 44 5.925 13.226 0.159 1.00 0.00 C ATOM 180 C LEU A 44 4.848 12.231 -0.363 1.00 0.00 C ATOM 181 O LEU A 44 4.570 12.229 -1.564 1.00 0.00 O ATOM 182 CB LEU A 44 7.122 12.507 0.855 1.00 0.00 C ATOM 183 CG LEU A 44 8.375 13.370 1.187 1.00 0.00 C ATOM 184 CD1 LEU A 44 8.295 14.028 2.582 1.00 0.00 C ATOM 185 CD2 LEU A 44 9.671 12.539 1.083 1.00 0.00 C ATOM 0 H LEU A 44 4.779 13.847 1.826 1.00 0.00 H new ATOM 0 HA LEU A 44 6.386 13.739 -0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.758 12.068 1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.439 11.683 0.216 1.00 0.00 H new ATOM 0 HG LEU A 44 8.395 14.166 0.443 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.195 14.617 2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.421 14.678 2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.212 13.254 3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.528 13.170 1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.627 11.707 1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 44 9.775 12.153 0.069 1.00 0.00 H new ATOM 197 N LEU A 45 4.238 11.420 0.529 1.00 0.00 N ATOM 198 CA LEU A 45 3.101 10.527 0.189 1.00 0.00 C ATOM 199 C LEU A 45 1.776 11.335 0.305 1.00 0.00 C ATOM 200 O LEU A 45 1.412 11.751 1.409 1.00 0.00 O ATOM 201 CB LEU A 45 3.168 9.316 1.166 1.00 0.00 C ATOM 202 CG LEU A 45 2.148 8.172 0.928 1.00 0.00 C ATOM 203 CD1 LEU A 45 2.377 7.449 -0.407 1.00 0.00 C ATOM 204 CD2 LEU A 45 2.179 7.142 2.070 1.00 0.00 C ATOM 0 H LEU A 45 4.519 11.364 1.508 1.00 0.00 H new ATOM 0 HA LEU A 45 3.148 10.151 -0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.171 8.893 1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.030 9.689 2.181 1.00 0.00 H new ATOM 0 HG LEU A 45 1.169 8.649 0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.636 6.658 -0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.281 8.160 -1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.377 7.015 -0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.452 6.355 1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.176 6.706 2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.932 7.634 3.011 1.00 0.00 H new ATOM 216 N ARG A 46 1.094 11.586 -0.832 1.00 0.00 N ATOM 217 CA ARG A 46 -0.071 12.522 -0.888 1.00 0.00 C ATOM 218 C ARG A 46 -1.255 11.910 -1.704 1.00 0.00 C ATOM 219 O ARG A 46 -1.171 11.741 -2.923 1.00 0.00 O ATOM 220 CB ARG A 46 0.346 13.919 -1.436 1.00 0.00 C ATOM 221 CG ARG A 46 1.478 14.662 -0.667 1.00 0.00 C ATOM 222 CD ARG A 46 1.336 16.193 -0.601 1.00 0.00 C ATOM 223 NE ARG A 46 1.588 16.844 -1.915 1.00 0.00 N ATOM 224 CZ ARG A 46 1.258 18.100 -2.213 1.00 0.00 C ATOM 225 NH1 ARG A 46 0.810 18.953 -1.329 1.00 0.00 N ATOM 226 NH2 ARG A 46 1.369 18.498 -3.447 1.00 0.00 N ATOM 0 H ARG A 46 1.323 11.158 -1.729 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.424 12.669 0.133 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.661 13.798 -2.472 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.537 14.559 -1.444 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.518 14.274 0.351 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.432 14.422 -1.138 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.333 16.448 -0.259 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.034 16.588 0.137 1.00 0.00 H new ATOM 0 HE ARG A 46 2.046 16.290 -2.639 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.698 18.668 -0.356 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.572 19.904 -1.612 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.703 17.853 -4.163 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.122 19.455 -3.698 1.00 0.00 H new ATOM 240 N LYS A 47 -2.381 11.603 -1.032 1.00 0.00 N ATOM 241 CA LYS A 47 -3.565 10.961 -1.669 1.00 0.00 C ATOM 242 C LYS A 47 -4.590 12.024 -2.188 1.00 0.00 C ATOM 243 O LYS A 47 -5.396 12.563 -1.423 1.00 0.00 O ATOM 244 CB LYS A 47 -4.145 9.953 -0.639 1.00 0.00 C ATOM 245 CG LYS A 47 -5.294 9.045 -1.144 1.00 0.00 C ATOM 246 CD LYS A 47 -5.713 8.007 -0.076 1.00 0.00 C ATOM 247 CE LYS A 47 -6.721 6.937 -0.546 1.00 0.00 C ATOM 248 NZ LYS A 47 -8.101 7.484 -0.664 1.00 0.00 N ATOM 0 H LYS A 47 -2.503 11.789 -0.037 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.288 10.414 -2.570 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.333 9.316 -0.289 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.505 10.514 0.224 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.153 9.660 -1.411 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.978 8.528 -2.050 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.817 7.502 0.286 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.144 8.539 0.772 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.405 6.540 -1.511 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.720 6.104 0.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.703 7.069 0.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.076 8.517 -0.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.489 7.248 -1.599 1.00 0.00 H new ATOM 262 N LYS A 48 -4.573 12.289 -3.505 1.00 0.00 N ATOM 263 CA LYS A 48 -5.595 13.131 -4.184 1.00 0.00 C ATOM 264 C LYS A 48 -6.718 12.225 -4.774 1.00 0.00 C ATOM 265 O LYS A 48 -6.451 11.388 -5.645 1.00 0.00 O ATOM 266 CB LYS A 48 -4.864 13.989 -5.254 1.00 0.00 C ATOM 267 CG LYS A 48 -5.768 14.920 -6.114 1.00 0.00 C ATOM 268 CD LYS A 48 -6.123 14.386 -7.521 1.00 0.00 C ATOM 269 CE LYS A 48 -4.958 14.489 -8.527 1.00 0.00 C ATOM 270 NZ LYS A 48 -5.379 13.938 -9.843 1.00 0.00 N ATOM 0 H LYS A 48 -3.856 11.930 -4.135 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.092 13.808 -3.489 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.118 14.604 -4.751 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.326 13.318 -5.924 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.694 15.103 -5.569 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.268 15.882 -6.225 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.431 13.344 -7.439 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.977 14.942 -7.908 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.653 15.529 -8.639 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.093 13.941 -8.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.591 14.010 -10.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.649 12.940 -9.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.192 14.479 -10.202 1.00 0.00 H new ATOM 284 N THR A 49 -7.969 12.435 -4.323 1.00 0.00 N ATOM 285 CA THR A 49 -9.132 11.614 -4.756 1.00 0.00 C ATOM 286 C THR A 49 -9.640 12.096 -6.149 1.00 0.00 C ATOM 287 O THR A 49 -10.132 13.218 -6.299 1.00 0.00 O ATOM 288 CB THR A 49 -10.240 11.589 -3.661 1.00 0.00 C ATOM 289 OG1 THR A 49 -9.689 11.170 -2.415 1.00 0.00 O ATOM 290 CG2 THR A 49 -11.401 10.626 -3.968 1.00 0.00 C ATOM 0 H THR A 49 -8.208 13.168 -3.655 1.00 0.00 H new ATOM 0 HA THR A 49 -8.819 10.577 -4.879 1.00 0.00 H new ATOM 0 HB THR A 49 -10.627 12.607 -3.629 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.393 11.159 -1.733 1.00 0.00 H new ATOM 0 HG21 THR A 49 -12.131 10.666 -3.159 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.879 10.919 -4.903 1.00 0.00 H new ATOM 0 HG23 THR A 49 -11.017 9.610 -4.060 1.00 0.00 H new ATOM 298 N LEU A 50 -9.509 11.206 -7.149 1.00 0.00 N ATOM 299 CA LEU A 50 -9.935 11.458 -8.551 1.00 0.00 C ATOM 300 C LEU A 50 -11.454 11.138 -8.713 1.00 0.00 C ATOM 301 O LEU A 50 -12.247 12.079 -8.806 1.00 0.00 O ATOM 302 CB LEU A 50 -8.936 10.703 -9.488 1.00 0.00 C ATOM 303 CG LEU A 50 -8.926 10.998 -11.016 1.00 0.00 C ATOM 304 CD1 LEU A 50 -10.094 10.352 -11.781 1.00 0.00 C ATOM 305 CD2 LEU A 50 -8.788 12.494 -11.359 1.00 0.00 C ATOM 0 H LEU A 50 -9.101 10.281 -7.013 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.876 12.506 -8.844 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.931 10.898 -9.114 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.120 9.636 -9.365 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.016 10.512 -11.369 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.019 10.603 -12.839 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.053 9.269 -11.661 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.039 10.726 -11.386 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.789 12.621 -12.442 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.625 13.045 -10.929 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.853 12.876 -10.950 1.00 0.00 H new ATOM 317 N VAL A 51 -11.865 9.848 -8.694 1.00 0.00 N ATOM 318 CA VAL A 51 -13.302 9.446 -8.610 1.00 0.00 C ATOM 319 C VAL A 51 -13.671 9.352 -7.083 1.00 0.00 C ATOM 320 O VAL A 51 -12.988 8.609 -6.366 1.00 0.00 O ATOM 321 CB VAL A 51 -13.614 8.112 -9.379 1.00 0.00 C ATOM 322 CG1 VAL A 51 -15.101 7.684 -9.293 1.00 0.00 C ATOM 323 CG2 VAL A 51 -13.235 8.158 -10.877 1.00 0.00 C ATOM 0 H VAL A 51 -11.221 9.058 -8.736 1.00 0.00 H new ATOM 0 HA VAL A 51 -13.920 10.194 -9.106 1.00 0.00 H new ATOM 0 HB VAL A 51 -12.989 7.382 -8.865 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -15.245 6.756 -9.846 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -15.376 7.531 -8.249 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -15.729 8.464 -9.723 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.479 7.203 -11.343 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -13.793 8.955 -11.369 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.166 8.348 -10.976 1.00 0.00 H new ATOM 333 N PRO A 52 -14.730 10.028 -6.542 1.00 0.00 N ATOM 334 CA PRO A 52 -15.090 9.953 -5.100 1.00 0.00 C ATOM 335 C PRO A 52 -15.676 8.582 -4.642 1.00 0.00 C ATOM 336 O PRO A 52 -16.140 7.770 -5.451 1.00 0.00 O ATOM 337 CB PRO A 52 -16.088 11.122 -4.954 1.00 0.00 C ATOM 338 CG PRO A 52 -16.731 11.283 -6.331 1.00 0.00 C ATOM 339 CD PRO A 52 -15.604 10.944 -7.305 1.00 0.00 C ATOM 0 HA PRO A 52 -14.218 10.033 -4.451 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -16.838 10.905 -4.193 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -15.580 12.037 -4.649 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -17.582 10.613 -6.455 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -17.099 12.297 -6.484 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.987 10.469 -8.208 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -15.066 11.839 -7.619 1.00 0.00 H new ATOM 347 N GLY A 53 -15.656 8.362 -3.317 1.00 0.00 N ATOM 348 CA GLY A 53 -16.232 7.149 -2.697 1.00 0.00 C ATOM 349 C GLY A 53 -17.786 7.169 -2.656 1.00 0.00 C ATOM 350 O GLY A 53 -18.319 8.120 -2.074 1.00 0.00 O ATOM 0 H GLY A 53 -15.245 9.012 -2.647 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.900 6.271 -3.251 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.848 7.049 -1.682 1.00 0.00 H new ATOM 354 N PRO A 54 -18.550 6.188 -3.227 1.00 0.00 N ATOM 355 CA PRO A 54 -20.041 6.236 -3.258 1.00 0.00 C ATOM 356 C PRO A 54 -20.752 6.147 -1.855 1.00 0.00 C ATOM 357 O PRO A 54 -20.078 5.812 -0.875 1.00 0.00 O ATOM 358 CB PRO A 54 -20.387 5.080 -4.223 1.00 0.00 C ATOM 359 CG PRO A 54 -19.193 4.128 -4.214 1.00 0.00 C ATOM 360 CD PRO A 54 -17.988 5.025 -3.940 1.00 0.00 C ATOM 0 HA PRO A 54 -20.416 7.204 -3.590 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -21.294 4.567 -3.902 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -20.573 5.458 -5.228 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -19.301 3.363 -3.445 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -19.092 3.609 -5.167 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -17.240 4.512 -3.335 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -17.498 5.326 -4.866 1.00 0.00 H new ATOM 368 N PRO A 55 -22.076 6.459 -1.692 1.00 0.00 N ATOM 369 CA PRO A 55 -22.728 6.578 -0.356 1.00 0.00 C ATOM 370 C PRO A 55 -22.767 5.246 0.451 1.00 0.00 C ATOM 371 O PRO A 55 -23.279 4.225 -0.022 1.00 0.00 O ATOM 372 CB PRO A 55 -24.121 7.149 -0.687 1.00 0.00 C ATOM 373 CG PRO A 55 -24.361 6.839 -2.165 1.00 0.00 C ATOM 374 CD PRO A 55 -22.968 6.879 -2.792 1.00 0.00 C ATOM 0 HA PRO A 55 -22.167 7.222 0.321 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -24.889 6.692 -0.063 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -24.157 8.223 -0.502 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -24.828 5.863 -2.296 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -25.024 7.573 -2.623 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -22.894 6.206 -3.646 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -22.719 7.878 -3.150 1.00 0.00 H new ATOM 382 N GLY A 56 -22.151 5.288 1.644 1.00 0.00 N ATOM 383 CA GLY A 56 -21.786 4.077 2.409 1.00 0.00 C ATOM 384 C GLY A 56 -20.268 3.836 2.305 1.00 0.00 C ATOM 385 O GLY A 56 -19.480 4.625 2.835 1.00 0.00 O ATOM 0 H GLY A 56 -21.891 6.159 2.107 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -22.075 4.194 3.454 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -22.328 3.214 2.023 1.00 0.00 H new ATOM 389 N SER A 57 -19.880 2.752 1.604 1.00 0.00 N ATOM 390 CA SER A 57 -18.469 2.412 1.269 1.00 0.00 C ATOM 391 C SER A 57 -17.529 2.228 2.494 1.00 0.00 C ATOM 392 O SER A 57 -16.981 3.206 3.014 1.00 0.00 O ATOM 393 CB SER A 57 -17.860 3.354 0.206 1.00 0.00 C ATOM 394 OG SER A 57 -18.615 3.322 -0.997 1.00 0.00 O ATOM 0 H SER A 57 -20.547 2.070 1.244 1.00 0.00 H new ATOM 0 HA SER A 57 -18.540 1.421 0.821 1.00 0.00 H new ATOM 0 HB2 SER A 57 -17.829 4.373 0.593 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.831 3.059 0.001 1.00 0.00 H new ATOM 0 HG SER A 57 -19.149 4.140 -1.070 1.00 0.00 H new ATOM 400 N SER A 58 -17.356 0.968 2.935 1.00 0.00 N ATOM 401 CA SER A 58 -16.481 0.626 4.084 1.00 0.00 C ATOM 402 C SER A 58 -15.325 -0.296 3.614 1.00 0.00 C ATOM 403 O SER A 58 -15.528 -1.380 3.057 1.00 0.00 O ATOM 404 CB SER A 58 -17.264 -0.076 5.210 1.00 0.00 C ATOM 405 OG SER A 58 -18.365 0.706 5.663 1.00 0.00 O ATOM 0 H SER A 58 -17.813 0.160 2.512 1.00 0.00 H new ATOM 0 HA SER A 58 -16.079 1.559 4.478 1.00 0.00 H new ATOM 0 HB2 SER A 58 -17.627 -1.040 4.853 1.00 0.00 H new ATOM 0 HB3 SER A 58 -16.594 -0.277 6.046 1.00 0.00 H new ATOM 0 HG SER A 58 -18.836 0.226 6.375 1.00 0.00 H new ATOM 411 N ARG A 59 -14.106 0.154 3.926 1.00 0.00 N ATOM 412 CA ARG A 59 -12.850 -0.627 3.751 1.00 0.00 C ATOM 413 C ARG A 59 -12.719 -1.871 4.715 1.00 0.00 C ATOM 414 O ARG A 59 -13.011 -1.719 5.909 1.00 0.00 O ATOM 415 CB ARG A 59 -11.637 0.339 3.865 1.00 0.00 C ATOM 416 CG ARG A 59 -11.442 1.118 5.190 1.00 0.00 C ATOM 417 CD ARG A 59 -10.373 2.217 5.064 1.00 0.00 C ATOM 418 NE ARG A 59 -10.259 2.966 6.341 1.00 0.00 N ATOM 419 CZ ARG A 59 -10.783 4.168 6.596 1.00 0.00 C ATOM 420 NH1 ARG A 59 -11.516 4.867 5.760 1.00 0.00 N ATOM 421 NH2 ARG A 59 -10.555 4.685 7.768 1.00 0.00 N ATOM 0 H ARG A 59 -13.948 1.084 4.314 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.875 -1.071 2.756 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.732 -0.241 3.684 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.716 1.068 3.059 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.389 1.567 5.489 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -11.156 0.423 5.980 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.412 1.772 4.807 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.635 2.899 4.255 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.732 2.522 7.093 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.724 4.497 4.832 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.877 5.780 6.038 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.995 4.174 8.450 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.936 5.601 8.004 1.00 0.00 H new ATOM 435 N PRO A 60 -12.274 -3.089 4.276 1.00 0.00 N ATOM 436 CA PRO A 60 -12.247 -4.303 5.142 1.00 0.00 C ATOM 437 C PRO A 60 -11.149 -4.308 6.261 1.00 0.00 C ATOM 438 O PRO A 60 -10.389 -3.348 6.427 1.00 0.00 O ATOM 439 CB PRO A 60 -12.127 -5.423 4.082 1.00 0.00 C ATOM 440 CG PRO A 60 -11.396 -4.807 2.894 1.00 0.00 C ATOM 441 CD PRO A 60 -11.884 -3.361 2.875 1.00 0.00 C ATOM 0 HA PRO A 60 -13.125 -4.403 5.780 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.577 -6.276 4.478 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -13.111 -5.787 3.787 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.314 -4.862 3.018 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.638 -5.323 1.965 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -11.100 -2.681 2.541 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -12.727 -3.234 2.196 1.00 0.00 H new ATOM 449 N VAL A 61 -11.117 -5.392 7.057 1.00 0.00 N ATOM 450 CA VAL A 61 -10.205 -5.544 8.237 1.00 0.00 C ATOM 451 C VAL A 61 -8.870 -6.287 7.868 1.00 0.00 C ATOM 452 O VAL A 61 -8.694 -6.785 6.751 1.00 0.00 O ATOM 453 CB VAL A 61 -10.977 -6.204 9.441 1.00 0.00 C ATOM 454 CG1 VAL A 61 -12.083 -5.298 10.026 1.00 0.00 C ATOM 455 CG2 VAL A 61 -11.542 -7.620 9.170 1.00 0.00 C ATOM 0 H VAL A 61 -11.722 -6.200 6.910 1.00 0.00 H new ATOM 0 HA VAL A 61 -9.892 -4.551 8.561 1.00 0.00 H new ATOM 0 HB VAL A 61 -10.191 -6.325 10.187 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -12.576 -5.812 10.851 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -11.640 -4.371 10.389 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -12.815 -5.071 9.251 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -12.054 -7.984 10.061 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.245 -7.578 8.338 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -10.724 -8.296 8.920 1.00 0.00 H new ATOM 465 N LYS A 62 -7.940 -6.391 8.845 1.00 0.00 N ATOM 466 CA LYS A 62 -6.734 -7.263 8.746 1.00 0.00 C ATOM 467 C LYS A 62 -7.091 -8.787 8.640 1.00 0.00 C ATOM 468 O LYS A 62 -7.856 -9.329 9.447 1.00 0.00 O ATOM 469 CB LYS A 62 -5.830 -6.942 9.970 1.00 0.00 C ATOM 470 CG LYS A 62 -4.473 -7.688 9.997 1.00 0.00 C ATOM 471 CD LYS A 62 -3.521 -7.184 11.103 1.00 0.00 C ATOM 472 CE LYS A 62 -2.249 -8.036 11.310 1.00 0.00 C ATOM 473 NZ LYS A 62 -1.292 -7.903 10.183 1.00 0.00 N ATOM 0 H LYS A 62 -7.999 -5.877 9.724 1.00 0.00 H new ATOM 0 HA LYS A 62 -6.198 -7.051 7.821 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.638 -5.869 9.989 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.378 -7.184 10.881 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.655 -8.753 10.141 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.985 -7.576 9.029 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.221 -6.163 10.866 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.070 -7.144 12.044 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.760 -7.735 12.236 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.530 -9.083 11.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.426 -8.438 10.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.724 -8.277 9.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.054 -6.900 10.046 1.00 0.00 H new ATOM 487 N GLY A 63 -6.520 -9.440 7.618 1.00 0.00 N ATOM 488 CA GLY A 63 -6.940 -10.799 7.192 1.00 0.00 C ATOM 489 C GLY A 63 -8.086 -10.828 6.151 1.00 0.00 C ATOM 490 O GLY A 63 -9.037 -11.595 6.321 1.00 0.00 O ATOM 0 H GLY A 63 -5.759 -9.052 7.061 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.076 -11.317 6.775 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.254 -11.360 8.073 1.00 0.00 H new ATOM 494 N GLN A 64 -7.986 -10.003 5.089 1.00 0.00 N ATOM 495 CA GLN A 64 -9.022 -9.873 4.029 1.00 0.00 C ATOM 496 C GLN A 64 -8.295 -9.542 2.695 1.00 0.00 C ATOM 497 O GLN A 64 -7.359 -8.735 2.648 1.00 0.00 O ATOM 498 CB GLN A 64 -10.070 -8.765 4.345 1.00 0.00 C ATOM 499 CG GLN A 64 -11.044 -9.027 5.522 1.00 0.00 C ATOM 500 CD GLN A 64 -12.102 -10.112 5.259 1.00 0.00 C ATOM 501 OE1 GLN A 64 -11.932 -11.274 5.624 1.00 0.00 O ATOM 502 NE2 GLN A 64 -13.215 -9.758 4.631 1.00 0.00 N ATOM 0 H GLN A 64 -7.178 -9.400 4.936 1.00 0.00 H new ATOM 0 HA GLN A 64 -9.573 -10.812 3.965 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -9.532 -7.840 4.551 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.663 -8.595 3.447 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -10.463 -9.312 6.399 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.554 -8.095 5.767 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -13.347 -8.792 4.332 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -13.939 -10.452 4.447 1.00 0.00 H new ATOM 511 N VAL A 65 -8.752 -10.169 1.601 1.00 0.00 N ATOM 512 CA VAL A 65 -8.081 -10.095 0.274 1.00 0.00 C ATOM 513 C VAL A 65 -8.757 -8.971 -0.577 1.00 0.00 C ATOM 514 O VAL A 65 -9.942 -9.064 -0.910 1.00 0.00 O ATOM 515 CB VAL A 65 -8.108 -11.507 -0.410 1.00 0.00 C ATOM 516 CG1 VAL A 65 -7.481 -11.507 -1.819 1.00 0.00 C ATOM 517 CG2 VAL A 65 -7.388 -12.610 0.409 1.00 0.00 C ATOM 0 H VAL A 65 -9.595 -10.743 1.600 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.030 -9.826 0.378 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.173 -11.733 -0.470 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.530 -12.512 -2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.030 -10.818 -2.461 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.440 -11.191 -1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.448 -13.558 -0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.342 -12.336 0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.868 -12.712 1.382 1.00 0.00 H new ATOM 527 N VAL A 66 -7.966 -7.949 -0.960 1.00 0.00 N ATOM 528 CA VAL A 66 -8.384 -6.892 -1.933 1.00 0.00 C ATOM 529 C VAL A 66 -7.538 -7.025 -3.235 1.00 0.00 C ATOM 530 O VAL A 66 -6.306 -7.124 -3.185 1.00 0.00 O ATOM 531 CB VAL A 66 -8.303 -5.432 -1.361 1.00 0.00 C ATOM 532 CG1 VAL A 66 -9.431 -5.141 -0.348 1.00 0.00 C ATOM 533 CG2 VAL A 66 -6.924 -5.005 -0.799 1.00 0.00 C ATOM 0 H VAL A 66 -7.016 -7.823 -0.609 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.439 -7.059 -2.149 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.448 -4.806 -2.241 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.334 -4.120 0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -10.398 -5.261 -0.836 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -9.358 -5.837 0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.982 -3.981 -0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.643 -5.669 0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.175 -5.065 -1.589 1.00 0.00 H new ATOM 543 N THR A 67 -8.215 -6.961 -4.396 1.00 0.00 N ATOM 544 CA THR A 67 -7.550 -6.889 -5.728 1.00 0.00 C ATOM 545 C THR A 67 -7.559 -5.396 -6.173 1.00 0.00 C ATOM 546 O THR A 67 -8.626 -4.791 -6.326 1.00 0.00 O ATOM 547 CB THR A 67 -8.255 -7.830 -6.749 1.00 0.00 C ATOM 548 OG1 THR A 67 -8.325 -9.157 -6.233 1.00 0.00 O ATOM 549 CG2 THR A 67 -7.541 -7.908 -8.105 1.00 0.00 C ATOM 0 H THR A 67 -9.234 -6.957 -4.447 1.00 0.00 H new ATOM 0 HA THR A 67 -6.519 -7.238 -5.674 1.00 0.00 H new ATOM 0 HB THR A 67 -9.245 -7.400 -6.902 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.772 -9.738 -6.884 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.087 -8.581 -8.766 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.500 -6.915 -8.552 1.00 0.00 H new ATOM 0 HG23 THR A 67 -6.528 -8.284 -7.962 1.00 0.00 H new ATOM 557 N VAL A 68 -6.356 -4.818 -6.350 1.00 0.00 N ATOM 558 CA VAL A 68 -6.174 -3.348 -6.538 1.00 0.00 C ATOM 559 C VAL A 68 -5.507 -3.104 -7.928 1.00 0.00 C ATOM 560 O VAL A 68 -4.461 -3.675 -8.254 1.00 0.00 O ATOM 561 CB VAL A 68 -5.369 -2.742 -5.332 1.00 0.00 C ATOM 562 CG1 VAL A 68 -4.942 -1.265 -5.517 1.00 0.00 C ATOM 563 CG2 VAL A 68 -6.159 -2.822 -4.002 1.00 0.00 C ATOM 0 H VAL A 68 -5.482 -5.344 -6.368 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.133 -2.829 -6.541 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.473 -3.362 -5.298 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.393 -0.932 -4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.304 -1.178 -6.397 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.828 -0.644 -5.648 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.562 -2.391 -3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.092 -2.267 -4.099 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.379 -3.864 -3.772 1.00 0.00 H new ATOM 573 N HIS A 69 -6.107 -2.174 -8.694 1.00 0.00 N ATOM 574 CA HIS A 69 -5.531 -1.647 -9.956 1.00 0.00 C ATOM 575 C HIS A 69 -4.684 -0.382 -9.655 1.00 0.00 C ATOM 576 O HIS A 69 -5.221 0.722 -9.544 1.00 0.00 O ATOM 577 CB HIS A 69 -6.708 -1.419 -10.953 1.00 0.00 C ATOM 578 CG HIS A 69 -6.449 -0.764 -12.323 1.00 0.00 C ATOM 579 ND1 HIS A 69 -7.481 -0.289 -13.113 1.00 0.00 N ATOM 580 CD2 HIS A 69 -5.219 -0.516 -12.971 1.00 0.00 C ATOM 581 CE1 HIS A 69 -6.768 0.212 -14.169 1.00 0.00 C ATOM 582 NE2 HIS A 69 -5.403 0.117 -14.190 1.00 0.00 N ATOM 0 H HIS A 69 -7.010 -1.762 -8.458 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.840 -2.348 -10.424 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.165 -2.391 -11.141 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.453 -0.811 -10.440 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -4.255 -0.786 -12.567 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -7.286 0.685 -14.990 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -4.726 0.420 -14.890 1.00 0.00 H new ATOM 590 N LEU A 70 -3.352 -0.573 -9.602 1.00 0.00 N ATOM 591 CA LEU A 70 -2.363 0.530 -9.720 1.00 0.00 C ATOM 592 C LEU A 70 -1.867 0.617 -11.192 1.00 0.00 C ATOM 593 O LEU A 70 -1.483 -0.395 -11.791 1.00 0.00 O ATOM 594 CB LEU A 70 -1.205 0.411 -8.685 1.00 0.00 C ATOM 595 CG LEU A 70 -0.094 -0.668 -8.869 1.00 0.00 C ATOM 596 CD1 LEU A 70 1.116 -0.370 -7.962 1.00 0.00 C ATOM 597 CD2 LEU A 70 -0.580 -2.113 -8.650 1.00 0.00 C ATOM 0 H LEU A 70 -2.926 -1.491 -9.477 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.853 1.471 -9.470 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.709 1.381 -8.642 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.660 0.242 -7.709 1.00 0.00 H new ATOM 0 HG LEU A 70 0.205 -0.603 -9.915 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.878 -1.136 -8.108 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.530 0.606 -8.216 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.798 -0.369 -6.920 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.251 -2.803 -8.796 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.964 -2.218 -7.635 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.372 -2.343 -9.363 1.00 0.00 H new ATOM 609 N GLN A 71 -1.858 1.838 -11.752 1.00 0.00 N ATOM 610 CA GLN A 71 -1.232 2.117 -13.073 1.00 0.00 C ATOM 611 C GLN A 71 -0.268 3.309 -12.842 1.00 0.00 C ATOM 612 O GLN A 71 -0.694 4.460 -12.683 1.00 0.00 O ATOM 613 CB GLN A 71 -2.320 2.402 -14.141 1.00 0.00 C ATOM 614 CG GLN A 71 -1.784 2.418 -15.590 1.00 0.00 C ATOM 615 CD GLN A 71 -2.869 2.728 -16.632 1.00 0.00 C ATOM 616 OE1 GLN A 71 -3.613 1.845 -17.060 1.00 0.00 O ATOM 617 NE2 GLN A 71 -2.982 3.974 -17.067 1.00 0.00 N ATOM 0 H GLN A 71 -2.278 2.658 -11.314 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.675 1.264 -13.461 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -3.101 1.646 -14.061 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -2.784 3.364 -13.925 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.990 3.161 -15.669 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.338 1.450 -15.816 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.361 4.698 -16.706 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.690 4.209 -17.763 1.00 0.00 H new ATOM 626 N THR A 72 1.037 3.001 -12.804 1.00 0.00 N ATOM 627 CA THR A 72 2.093 3.957 -12.380 1.00 0.00 C ATOM 628 C THR A 72 2.479 4.884 -13.565 1.00 0.00 C ATOM 629 O THR A 72 2.697 4.416 -14.683 1.00 0.00 O ATOM 630 CB THR A 72 3.298 3.153 -11.805 1.00 0.00 C ATOM 631 OG1 THR A 72 2.863 2.273 -10.769 1.00 0.00 O ATOM 632 CG2 THR A 72 4.401 4.019 -11.188 1.00 0.00 C ATOM 0 H THR A 72 1.399 2.084 -13.065 1.00 0.00 H new ATOM 0 HA THR A 72 1.730 4.612 -11.588 1.00 0.00 H new ATOM 0 HB THR A 72 3.705 2.625 -12.668 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.631 1.774 -10.420 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.199 3.379 -10.813 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.802 4.692 -11.946 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.988 4.603 -10.366 1.00 0.00 H new ATOM 640 N SER A 73 2.553 6.199 -13.307 1.00 0.00 N ATOM 641 CA SER A 73 2.879 7.210 -14.341 1.00 0.00 C ATOM 642 C SER A 73 3.989 8.138 -13.791 1.00 0.00 C ATOM 643 O SER A 73 3.748 8.873 -12.828 1.00 0.00 O ATOM 644 CB SER A 73 1.597 7.984 -14.728 1.00 0.00 C ATOM 645 OG SER A 73 1.865 8.945 -15.742 1.00 0.00 O ATOM 0 H SER A 73 2.390 6.596 -12.382 1.00 0.00 H new ATOM 0 HA SER A 73 3.254 6.737 -15.249 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.838 7.284 -15.077 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.190 8.483 -13.848 1.00 0.00 H new ATOM 0 HG SER A 73 1.038 9.419 -15.970 1.00 0.00 H new ATOM 651 N LEU A 74 5.187 8.139 -14.417 1.00 0.00 N ATOM 652 CA LEU A 74 6.285 9.060 -14.024 1.00 0.00 C ATOM 653 C LEU A 74 6.082 10.385 -14.811 1.00 0.00 C ATOM 654 O LEU A 74 6.497 10.496 -15.969 1.00 0.00 O ATOM 655 CB LEU A 74 7.661 8.369 -14.292 1.00 0.00 C ATOM 656 CG LEU A 74 8.875 8.858 -13.464 1.00 0.00 C ATOM 657 CD1 LEU A 74 8.830 8.328 -12.018 1.00 0.00 C ATOM 658 CD2 LEU A 74 10.199 8.417 -14.121 1.00 0.00 C ATOM 0 H LEU A 74 5.421 7.518 -15.192 1.00 0.00 H new ATOM 0 HA LEU A 74 6.273 9.297 -12.960 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.541 7.300 -14.116 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.901 8.493 -15.348 1.00 0.00 H new ATOM 0 HG LEU A 74 8.823 9.946 -13.439 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.698 8.693 -11.470 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.920 8.677 -11.531 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.840 7.238 -12.029 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.038 8.772 -13.522 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.230 7.329 -14.182 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.265 8.838 -15.124 1.00 0.00 H new ATOM 670 N GLU A 75 5.404 11.378 -14.200 1.00 0.00 N ATOM 671 CA GLU A 75 5.167 12.706 -14.850 1.00 0.00 C ATOM 672 C GLU A 75 6.413 13.640 -15.024 1.00 0.00 C ATOM 673 O GLU A 75 6.450 14.419 -15.984 1.00 0.00 O ATOM 674 CB GLU A 75 3.919 13.400 -14.244 1.00 0.00 C ATOM 675 CG GLU A 75 4.005 13.935 -12.791 1.00 0.00 C ATOM 676 CD GLU A 75 2.723 14.616 -12.328 1.00 0.00 C ATOM 677 OE1 GLU A 75 1.753 13.908 -11.983 1.00 0.00 O ATOM 678 OE2 GLU A 75 2.690 15.863 -12.290 1.00 0.00 O ATOM 0 H GLU A 75 5.009 11.297 -13.263 1.00 0.00 H new ATOM 0 HA GLU A 75 4.949 12.477 -15.893 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.658 14.237 -14.891 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.091 12.692 -14.289 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.233 13.108 -12.119 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.831 14.642 -12.719 1.00 0.00 H new ATOM 685 N ASN A 76 7.450 13.507 -14.170 1.00 0.00 N ATOM 686 CA ASN A 76 8.822 14.013 -14.465 1.00 0.00 C ATOM 687 C ASN A 76 9.519 13.391 -15.724 1.00 0.00 C ATOM 688 O ASN A 76 10.142 14.145 -16.480 1.00 0.00 O ATOM 689 CB ASN A 76 9.712 13.981 -13.187 1.00 0.00 C ATOM 690 CG ASN A 76 10.005 12.611 -12.527 1.00 0.00 C ATOM 691 OD1 ASN A 76 9.197 12.084 -11.762 1.00 0.00 O ATOM 692 ND2 ASN A 76 11.158 12.020 -12.798 1.00 0.00 N ATOM 0 H ASN A 76 7.369 13.051 -13.261 1.00 0.00 H new ATOM 0 HA ASN A 76 8.690 15.054 -14.761 1.00 0.00 H new ATOM 0 HB2 ASN A 76 10.668 14.440 -13.437 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.240 14.616 -12.438 1.00 0.00 H new ATOM 0 HD21 ASN A 76 11.383 11.121 -12.372 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.822 12.464 -13.433 1.00 0.00 H new ATOM 699 N GLY A 77 9.405 12.065 -15.958 1.00 0.00 N ATOM 700 CA GLY A 77 9.935 11.404 -17.173 1.00 0.00 C ATOM 701 C GLY A 77 8.809 10.939 -18.121 1.00 0.00 C ATOM 702 O GLY A 77 8.221 11.761 -18.829 1.00 0.00 O ATOM 0 H GLY A 77 8.944 11.424 -15.312 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.592 12.094 -17.703 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.541 10.546 -16.883 1.00 0.00 H new ATOM 706 N THR A 78 8.543 9.621 -18.137 1.00 0.00 N ATOM 707 CA THR A 78 7.581 8.973 -19.081 1.00 0.00 C ATOM 708 C THR A 78 6.626 8.044 -18.271 1.00 0.00 C ATOM 709 O THR A 78 7.053 7.393 -17.312 1.00 0.00 O ATOM 710 CB THR A 78 8.379 8.149 -20.138 1.00 0.00 C ATOM 711 OG1 THR A 78 9.372 8.955 -20.769 1.00 0.00 O ATOM 712 CG2 THR A 78 7.537 7.529 -21.270 1.00 0.00 C ATOM 0 H THR A 78 8.985 8.962 -17.497 1.00 0.00 H new ATOM 0 HA THR A 78 6.988 9.728 -19.598 1.00 0.00 H new ATOM 0 HB THR A 78 8.805 7.336 -19.550 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.861 8.417 -21.426 1.00 0.00 H new ATOM 0 HG21 THR A 78 8.189 6.979 -21.949 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.799 6.849 -20.844 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.027 8.320 -21.819 1.00 0.00 H new ATOM 720 N ARG A 79 5.347 7.911 -18.693 1.00 0.00 N ATOM 721 CA ARG A 79 4.377 7.023 -17.989 1.00 0.00 C ATOM 722 C ARG A 79 4.767 5.502 -17.999 1.00 0.00 C ATOM 723 O ARG A 79 4.897 4.878 -19.059 1.00 0.00 O ATOM 724 CB ARG A 79 2.907 7.311 -18.402 1.00 0.00 C ATOM 725 CG ARG A 79 2.394 6.763 -19.757 1.00 0.00 C ATOM 726 CD ARG A 79 0.871 6.946 -19.899 1.00 0.00 C ATOM 727 NE ARG A 79 0.389 6.213 -21.100 1.00 0.00 N ATOM 728 CZ ARG A 79 -0.887 5.935 -21.373 1.00 0.00 C ATOM 729 NH1 ARG A 79 -1.891 6.306 -20.614 1.00 0.00 N ATOM 730 NH2 ARG A 79 -1.154 5.256 -22.451 1.00 0.00 N ATOM 0 H ARG A 79 4.962 8.396 -19.503 1.00 0.00 H new ATOM 0 HA ARG A 79 4.444 7.289 -16.934 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.260 6.915 -17.619 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.772 8.393 -18.410 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.901 7.276 -20.574 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.644 5.705 -19.841 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.366 6.575 -19.007 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.629 8.005 -19.986 1.00 0.00 H new ATOM 0 HE ARG A 79 1.091 5.897 -21.769 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.716 6.838 -19.761 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.846 6.063 -20.877 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.397 4.951 -23.062 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.121 5.029 -22.685 1.00 0.00 H new ATOM 744 N VAL A 80 4.974 4.944 -16.794 1.00 0.00 N ATOM 745 CA VAL A 80 5.566 3.584 -16.589 1.00 0.00 C ATOM 746 C VAL A 80 4.632 2.412 -17.054 1.00 0.00 C ATOM 747 O VAL A 80 5.107 1.489 -17.720 1.00 0.00 O ATOM 748 CB VAL A 80 6.095 3.393 -15.116 1.00 0.00 C ATOM 749 CG1 VAL A 80 7.050 2.188 -14.971 1.00 0.00 C ATOM 750 CG2 VAL A 80 6.843 4.604 -14.502 1.00 0.00 C ATOM 0 H VAL A 80 4.738 5.416 -15.921 1.00 0.00 H new ATOM 0 HA VAL A 80 6.431 3.531 -17.250 1.00 0.00 H new ATOM 0 HB VAL A 80 5.161 3.244 -14.574 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.380 2.108 -13.935 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.529 1.274 -15.257 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.916 2.330 -15.618 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.161 4.360 -13.488 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.717 4.838 -15.110 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.178 5.467 -14.475 1.00 0.00 H new ATOM 760 N GLN A 81 3.331 2.462 -16.694 1.00 0.00 N ATOM 761 CA GLN A 81 2.290 1.455 -17.041 1.00 0.00 C ATOM 762 C GLN A 81 2.461 0.179 -16.176 1.00 0.00 C ATOM 763 O GLN A 81 3.231 -0.720 -16.532 1.00 0.00 O ATOM 764 CB GLN A 81 2.092 1.163 -18.560 1.00 0.00 C ATOM 765 CG GLN A 81 1.733 2.374 -19.458 1.00 0.00 C ATOM 766 CD GLN A 81 0.369 3.017 -19.153 1.00 0.00 C ATOM 767 OE1 GLN A 81 0.261 3.925 -18.330 1.00 0.00 O ATOM 768 NE2 GLN A 81 -0.693 2.562 -19.800 1.00 0.00 N ATOM 0 H GLN A 81 2.958 3.229 -16.134 1.00 0.00 H new ATOM 0 HA GLN A 81 1.338 1.921 -16.785 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.009 0.715 -18.943 1.00 0.00 H new ATOM 0 HB3 GLN A 81 1.304 0.417 -18.664 1.00 0.00 H new ATOM 0 HG2 GLN A 81 2.509 3.132 -19.350 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.743 2.053 -20.500 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -0.592 1.809 -20.480 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.612 2.965 -19.618 1.00 0.00 H new ATOM 777 N GLU A 82 1.754 0.136 -15.030 1.00 0.00 N ATOM 778 CA GLU A 82 1.848 -0.980 -14.047 1.00 0.00 C ATOM 779 C GLU A 82 0.588 -1.910 -14.066 1.00 0.00 C ATOM 780 O GLU A 82 -0.494 -1.555 -14.552 1.00 0.00 O ATOM 781 CB GLU A 82 2.170 -0.338 -12.665 1.00 0.00 C ATOM 782 CG GLU A 82 2.584 -1.291 -11.512 1.00 0.00 C ATOM 783 CD GLU A 82 3.790 -2.169 -11.798 1.00 0.00 C ATOM 784 OE1 GLU A 82 3.599 -3.236 -12.420 1.00 0.00 O ATOM 785 OE2 GLU A 82 4.916 -1.803 -11.405 1.00 0.00 O ATOM 0 H GLU A 82 1.101 0.869 -14.753 1.00 0.00 H new ATOM 0 HA GLU A 82 2.651 -1.669 -14.309 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.973 0.385 -12.809 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.292 0.221 -12.341 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.793 -0.693 -10.625 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.737 -1.933 -11.271 1.00 0.00 H new ATOM 792 N GLU A 83 0.758 -3.138 -13.552 1.00 0.00 N ATOM 793 CA GLU A 83 -0.224 -4.243 -13.733 1.00 0.00 C ATOM 794 C GLU A 83 -1.615 -4.033 -13.014 1.00 0.00 C ATOM 795 O GLU A 83 -1.635 -3.556 -11.870 1.00 0.00 O ATOM 796 CB GLU A 83 0.410 -5.603 -13.326 1.00 0.00 C ATOM 797 CG GLU A 83 1.590 -6.091 -14.211 1.00 0.00 C ATOM 798 CD GLU A 83 1.930 -7.565 -14.046 1.00 0.00 C ATOM 799 OE1 GLU A 83 2.752 -7.905 -13.170 1.00 0.00 O ATOM 800 OE2 GLU A 83 1.380 -8.389 -14.808 1.00 0.00 O ATOM 0 H GLU A 83 1.574 -3.403 -13.000 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.461 -4.243 -14.797 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.760 -5.525 -12.297 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.370 -6.365 -13.341 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.347 -5.901 -15.257 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.474 -5.498 -13.976 1.00 0.00 H new ATOM 807 N PRO A 84 -2.790 -4.387 -13.625 1.00 0.00 N ATOM 808 CA PRO A 84 -4.133 -4.076 -13.059 1.00 0.00 C ATOM 809 C PRO A 84 -4.695 -4.928 -11.885 1.00 0.00 C ATOM 810 O PRO A 84 -5.711 -4.517 -11.317 1.00 0.00 O ATOM 811 CB PRO A 84 -5.042 -4.177 -14.302 1.00 0.00 C ATOM 812 CG PRO A 84 -4.366 -5.207 -15.203 1.00 0.00 C ATOM 813 CD PRO A 84 -2.876 -4.953 -14.987 1.00 0.00 C ATOM 0 HA PRO A 84 -4.075 -3.112 -12.554 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -6.049 -4.492 -14.030 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.133 -3.214 -14.803 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.643 -6.224 -14.927 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.648 -5.072 -16.247 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -2.300 -5.875 -15.071 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -2.480 -4.261 -15.730 1.00 0.00 H new ATOM 821 N GLU A 85 -4.118 -6.096 -11.539 1.00 0.00 N ATOM 822 CA GLU A 85 -4.668 -6.973 -10.463 1.00 0.00 C ATOM 823 C GLU A 85 -3.531 -7.460 -9.515 1.00 0.00 C ATOM 824 O GLU A 85 -3.119 -8.626 -9.544 1.00 0.00 O ATOM 825 CB GLU A 85 -5.555 -8.097 -11.084 1.00 0.00 C ATOM 826 CG GLU A 85 -6.816 -7.574 -11.830 1.00 0.00 C ATOM 827 CD GLU A 85 -8.035 -8.469 -11.972 1.00 0.00 C ATOM 828 OE1 GLU A 85 -7.970 -9.696 -11.758 1.00 0.00 O ATOM 829 OE2 GLU A 85 -9.095 -7.895 -12.306 1.00 0.00 O ATOM 0 H GLU A 85 -3.275 -6.461 -11.982 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.339 -6.408 -9.816 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.950 -8.679 -11.779 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.871 -8.775 -10.291 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -7.138 -6.664 -11.325 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.504 -7.288 -12.834 1.00 0.00 H new ATOM 836 N LEU A 86 -3.067 -6.539 -8.640 1.00 0.00 N ATOM 837 CA LEU A 86 -2.091 -6.849 -7.563 1.00 0.00 C ATOM 838 C LEU A 86 -2.892 -7.203 -6.281 1.00 0.00 C ATOM 839 O LEU A 86 -3.495 -6.339 -5.633 1.00 0.00 O ATOM 840 CB LEU A 86 -1.111 -5.654 -7.388 1.00 0.00 C ATOM 841 CG LEU A 86 0.008 -5.798 -6.313 1.00 0.00 C ATOM 842 CD1 LEU A 86 0.972 -6.978 -6.560 1.00 0.00 C ATOM 843 CD2 LEU A 86 0.810 -4.489 -6.195 1.00 0.00 C ATOM 0 H LEU A 86 -3.356 -5.561 -8.658 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.468 -7.709 -7.808 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.633 -5.467 -8.349 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.699 -4.768 -7.146 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.509 -6.013 -5.378 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.720 -7.008 -5.768 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.410 -7.912 -6.564 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.467 -6.848 -7.522 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.588 -4.606 -5.440 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.269 -4.256 -7.156 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.142 -3.678 -5.905 1.00 0.00 H new ATOM 855 N VAL A 87 -2.896 -8.507 -5.966 1.00 0.00 N ATOM 856 CA VAL A 87 -3.731 -9.098 -4.888 1.00 0.00 C ATOM 857 C VAL A 87 -2.901 -9.224 -3.571 1.00 0.00 C ATOM 858 O VAL A 87 -1.734 -9.633 -3.595 1.00 0.00 O ATOM 859 CB VAL A 87 -4.367 -10.424 -5.429 1.00 0.00 C ATOM 860 CG1 VAL A 87 -3.391 -11.610 -5.605 1.00 0.00 C ATOM 861 CG2 VAL A 87 -5.558 -10.879 -4.574 1.00 0.00 C ATOM 0 H VAL A 87 -2.318 -9.194 -6.451 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.566 -8.455 -4.612 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.699 -10.148 -6.430 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -3.935 -12.476 -5.984 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.608 -11.335 -6.312 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.941 -11.857 -4.643 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.969 -11.802 -4.984 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.226 -11.053 -3.551 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.326 -10.106 -4.579 1.00 0.00 H new ATOM 871 N PHE A 88 -3.509 -8.840 -2.430 1.00 0.00 N ATOM 872 CA PHE A 88 -2.787 -8.729 -1.126 1.00 0.00 C ATOM 873 C PHE A 88 -3.721 -8.763 0.124 1.00 0.00 C ATOM 874 O PHE A 88 -4.901 -8.404 0.064 1.00 0.00 O ATOM 875 CB PHE A 88 -1.821 -7.500 -1.108 1.00 0.00 C ATOM 876 CG PHE A 88 -2.427 -6.087 -0.988 1.00 0.00 C ATOM 877 CD1 PHE A 88 -2.774 -5.347 -2.123 1.00 0.00 C ATOM 878 CD2 PHE A 88 -2.582 -5.511 0.277 1.00 0.00 C ATOM 879 CE1 PHE A 88 -3.253 -4.044 -1.993 1.00 0.00 C ATOM 880 CE2 PHE A 88 -3.088 -4.224 0.408 1.00 0.00 C ATOM 881 CZ PHE A 88 -3.415 -3.485 -0.726 1.00 0.00 C ATOM 0 H PHE A 88 -4.499 -8.599 -2.375 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.181 -9.631 -1.047 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.129 -7.635 -0.277 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.230 -7.530 -2.023 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.671 -5.787 -3.104 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -2.306 -6.071 1.158 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.498 -3.468 -2.873 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.228 -3.796 1.390 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.794 -2.479 -0.624 1.00 0.00 H new ATOM 891 N THR A 89 -3.123 -9.131 1.276 1.00 0.00 N ATOM 892 CA THR A 89 -3.795 -9.122 2.607 1.00 0.00 C ATOM 893 C THR A 89 -3.563 -7.743 3.306 1.00 0.00 C ATOM 894 O THR A 89 -2.424 -7.275 3.417 1.00 0.00 O ATOM 895 CB THR A 89 -3.253 -10.309 3.465 1.00 0.00 C ATOM 896 OG1 THR A 89 -3.420 -11.541 2.765 1.00 0.00 O ATOM 897 CG2 THR A 89 -3.951 -10.487 4.825 1.00 0.00 C ATOM 0 H THR A 89 -2.154 -9.446 1.317 1.00 0.00 H new ATOM 0 HA THR A 89 -4.871 -9.254 2.489 1.00 0.00 H new ATOM 0 HB THR A 89 -2.207 -10.059 3.643 1.00 0.00 H new ATOM 0 HG1 THR A 89 -3.075 -12.277 3.312 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.511 -11.334 5.352 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.824 -9.583 5.420 1.00 0.00 H new ATOM 0 HG23 THR A 89 -5.014 -10.671 4.667 1.00 0.00 H new ATOM 905 N LEU A 90 -4.650 -7.133 3.825 1.00 0.00 N ATOM 906 CA LEU A 90 -4.598 -5.830 4.555 1.00 0.00 C ATOM 907 C LEU A 90 -3.790 -5.907 5.883 1.00 0.00 C ATOM 908 O LEU A 90 -3.853 -6.913 6.600 1.00 0.00 O ATOM 909 CB LEU A 90 -6.033 -5.326 4.895 1.00 0.00 C ATOM 910 CG LEU A 90 -6.816 -4.612 3.764 1.00 0.00 C ATOM 911 CD1 LEU A 90 -7.409 -5.585 2.737 1.00 0.00 C ATOM 912 CD2 LEU A 90 -7.961 -3.767 4.351 1.00 0.00 C ATOM 0 H LEU A 90 -5.590 -7.522 3.755 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.093 -5.138 3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.622 -6.181 5.227 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.960 -4.642 5.740 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.091 -3.979 3.252 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.945 -5.024 1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.606 -6.157 2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.098 -6.266 3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -8.500 -3.273 3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.645 -4.413 4.901 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.550 -3.016 5.025 1.00 0.00 H new ATOM 924 N GLY A 91 -3.038 -4.831 6.188 1.00 0.00 N ATOM 925 CA GLY A 91 -2.161 -4.782 7.384 1.00 0.00 C ATOM 926 C GLY A 91 -0.766 -5.407 7.176 1.00 0.00 C ATOM 927 O GLY A 91 0.255 -4.727 7.319 1.00 0.00 O ATOM 0 H GLY A 91 -3.018 -3.981 5.624 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.039 -3.742 7.688 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.658 -5.298 8.206 1.00 0.00 H new ATOM 931 N ASP A 92 -0.753 -6.707 6.838 1.00 0.00 N ATOM 932 CA ASP A 92 0.473 -7.492 6.537 1.00 0.00 C ATOM 933 C ASP A 92 1.148 -7.010 5.213 1.00 0.00 C ATOM 934 O ASP A 92 0.562 -7.105 4.124 1.00 0.00 O ATOM 935 CB ASP A 92 0.077 -8.997 6.471 1.00 0.00 C ATOM 936 CG ASP A 92 -0.458 -9.555 7.787 1.00 0.00 C ATOM 937 OD1 ASP A 92 -1.684 -9.459 8.026 1.00 0.00 O ATOM 938 OD2 ASP A 92 0.343 -9.913 8.674 1.00 0.00 O ATOM 0 H ASP A 92 -1.607 -7.260 6.763 1.00 0.00 H new ATOM 0 HA ASP A 92 1.213 -7.344 7.323 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.679 -9.130 5.697 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.948 -9.579 6.169 1.00 0.00 H new ATOM 943 N CYS A 93 2.375 -6.469 5.347 1.00 0.00 N ATOM 944 CA CYS A 93 3.076 -5.759 4.246 1.00 0.00 C ATOM 945 C CYS A 93 3.750 -6.718 3.218 1.00 0.00 C ATOM 946 O CYS A 93 4.971 -6.896 3.173 1.00 0.00 O ATOM 947 CB CYS A 93 4.061 -4.751 4.879 1.00 0.00 C ATOM 948 SG CYS A 93 4.890 -3.769 3.583 1.00 0.00 S ATOM 0 H CYS A 93 2.910 -6.509 6.215 1.00 0.00 H new ATOM 0 HA CYS A 93 2.344 -5.220 3.645 1.00 0.00 H new ATOM 0 HB2 CYS A 93 3.526 -4.089 5.559 1.00 0.00 H new ATOM 0 HB3 CYS A 93 4.805 -5.283 5.472 1.00 0.00 H new ATOM 0 HG CYS A 93 4.394 -4.077 2.421 1.00 0.00 H new ATOM 954 N ASP A 94 2.898 -7.275 2.345 1.00 0.00 N ATOM 955 CA ASP A 94 3.307 -7.918 1.066 1.00 0.00 C ATOM 956 C ASP A 94 3.712 -6.877 -0.039 1.00 0.00 C ATOM 957 O ASP A 94 4.790 -6.980 -0.636 1.00 0.00 O ATOM 958 CB ASP A 94 2.115 -8.846 0.696 1.00 0.00 C ATOM 959 CG ASP A 94 2.332 -9.728 -0.525 1.00 0.00 C ATOM 960 OD1 ASP A 94 2.990 -10.781 -0.398 1.00 0.00 O ATOM 961 OD2 ASP A 94 1.844 -9.366 -1.617 1.00 0.00 O ATOM 0 H ASP A 94 1.890 -7.297 2.500 1.00 0.00 H new ATOM 0 HA ASP A 94 4.223 -8.500 1.162 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.895 -9.485 1.551 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.234 -8.227 0.525 1.00 0.00 H new ATOM 966 N VAL A 95 2.845 -5.873 -0.275 1.00 0.00 N ATOM 967 CA VAL A 95 3.012 -4.835 -1.332 1.00 0.00 C ATOM 968 C VAL A 95 3.954 -3.659 -0.901 1.00 0.00 C ATOM 969 O VAL A 95 4.515 -3.636 0.200 1.00 0.00 O ATOM 970 CB VAL A 95 1.588 -4.369 -1.815 1.00 0.00 C ATOM 971 CG1 VAL A 95 0.843 -5.473 -2.587 1.00 0.00 C ATOM 972 CG2 VAL A 95 0.679 -3.775 -0.710 1.00 0.00 C ATOM 0 H VAL A 95 1.991 -5.751 0.269 1.00 0.00 H new ATOM 0 HA VAL A 95 3.534 -5.275 -2.182 1.00 0.00 H new ATOM 0 HB VAL A 95 1.805 -3.544 -2.494 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.134 -5.103 -2.899 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.422 -5.756 -3.466 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.713 -6.343 -1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.278 -3.485 -1.143 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.514 -4.522 0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.161 -2.900 -0.274 1.00 0.00 H new ATOM 982 N ILE A 96 4.116 -2.679 -1.812 1.00 0.00 N ATOM 983 CA ILE A 96 4.971 -1.471 -1.618 1.00 0.00 C ATOM 984 C ILE A 96 4.538 -0.566 -0.415 1.00 0.00 C ATOM 985 O ILE A 96 3.397 -0.623 0.056 1.00 0.00 O ATOM 986 CB ILE A 96 5.078 -0.659 -2.963 1.00 0.00 C ATOM 987 CG1 ILE A 96 3.727 -0.098 -3.505 1.00 0.00 C ATOM 988 CG2 ILE A 96 5.849 -1.441 -4.056 1.00 0.00 C ATOM 989 CD1 ILE A 96 3.843 1.009 -4.564 1.00 0.00 C ATOM 0 H ILE A 96 3.653 -2.696 -2.721 1.00 0.00 H new ATOM 0 HA ILE A 96 5.962 -1.831 -1.344 1.00 0.00 H new ATOM 0 HB ILE A 96 5.661 0.223 -2.698 1.00 0.00 H new ATOM 0 HG12 ILE A 96 3.156 -0.924 -3.930 1.00 0.00 H new ATOM 0 HG13 ILE A 96 3.151 0.288 -2.664 1.00 0.00 H new ATOM 0 HG21 ILE A 96 5.898 -0.842 -4.966 1.00 0.00 H new ATOM 0 HG22 ILE A 96 6.859 -1.654 -3.707 1.00 0.00 H new ATOM 0 HG23 ILE A 96 5.333 -2.378 -4.266 1.00 0.00 H new ATOM 0 HD11 ILE A 96 2.846 1.325 -4.870 1.00 0.00 H new ATOM 0 HD12 ILE A 96 4.380 1.859 -4.144 1.00 0.00 H new ATOM 0 HD13 ILE A 96 4.385 0.629 -5.430 1.00 0.00 H new ATOM 1001 N GLN A 97 5.470 0.290 0.048 1.00 0.00 N ATOM 1002 CA GLN A 97 5.218 1.265 1.146 1.00 0.00 C ATOM 1003 C GLN A 97 4.099 2.328 0.874 1.00 0.00 C ATOM 1004 O GLN A 97 3.354 2.645 1.805 1.00 0.00 O ATOM 1005 CB GLN A 97 6.589 1.891 1.524 1.00 0.00 C ATOM 1006 CG GLN A 97 6.581 2.732 2.817 1.00 0.00 C ATOM 1007 CD GLN A 97 7.946 3.355 3.156 1.00 0.00 C ATOM 1008 OE1 GLN A 97 8.390 4.315 2.526 1.00 0.00 O ATOM 1009 NE2 GLN A 97 8.634 2.836 4.160 1.00 0.00 N ATOM 0 H GLN A 97 6.419 0.331 -0.323 1.00 0.00 H new ATOM 0 HA GLN A 97 4.791 0.725 1.991 1.00 0.00 H new ATOM 0 HB2 GLN A 97 7.321 1.090 1.632 1.00 0.00 H new ATOM 0 HB3 GLN A 97 6.925 2.520 0.700 1.00 0.00 H new ATOM 0 HG2 GLN A 97 5.843 3.528 2.718 1.00 0.00 H new ATOM 0 HG3 GLN A 97 6.262 2.103 3.648 1.00 0.00 H new ATOM 0 HE21 GLN A 97 8.260 2.041 4.677 1.00 0.00 H new ATOM 0 HE22 GLN A 97 9.539 3.231 4.417 1.00 0.00 H new ATOM 1018 N ALA A 98 3.949 2.840 -0.369 1.00 0.00 N ATOM 1019 CA ALA A 98 2.783 3.678 -0.764 1.00 0.00 C ATOM 1020 C ALA A 98 1.382 3.006 -0.664 1.00 0.00 C ATOM 1021 O ALA A 98 0.463 3.643 -0.143 1.00 0.00 O ATOM 1022 CB ALA A 98 3.005 4.227 -2.184 1.00 0.00 C ATOM 0 H ALA A 98 4.621 2.689 -1.121 1.00 0.00 H new ATOM 0 HA ALA A 98 2.749 4.475 -0.022 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.152 4.841 -2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 98 3.911 4.833 -2.202 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.109 3.397 -2.883 1.00 0.00 H new ATOM 1028 N LEU A 99 1.220 1.746 -1.128 1.00 0.00 N ATOM 1029 CA LEU A 99 -0.044 0.973 -0.967 1.00 0.00 C ATOM 1030 C LEU A 99 -0.384 0.642 0.514 1.00 0.00 C ATOM 1031 O LEU A 99 -1.468 1.027 0.953 1.00 0.00 O ATOM 1032 CB LEU A 99 -0.055 -0.313 -1.845 1.00 0.00 C ATOM 1033 CG LEU A 99 -0.257 -0.139 -3.375 1.00 0.00 C ATOM 1034 CD1 LEU A 99 -0.076 -1.491 -4.091 1.00 0.00 C ATOM 1035 CD2 LEU A 99 -1.639 0.438 -3.738 1.00 0.00 C ATOM 0 H LEU A 99 1.952 1.235 -1.621 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.835 1.633 -1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.889 -0.835 -1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.845 -0.966 -1.474 1.00 0.00 H new ATOM 0 HG LEU A 99 0.497 0.575 -3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.220 -1.357 -5.163 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.929 -1.870 -3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.809 -2.204 -3.713 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.719 0.536 -4.821 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.419 -0.231 -3.375 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.757 1.418 -3.275 1.00 0.00 H new ATOM 1047 N ASP A 100 0.519 -0.019 1.273 1.00 0.00 N ATOM 1048 CA ASP A 100 0.331 -0.332 2.724 1.00 0.00 C ATOM 1049 C ASP A 100 -0.084 0.863 3.655 1.00 0.00 C ATOM 1050 O ASP A 100 -1.059 0.746 4.405 1.00 0.00 O ATOM 1051 CB ASP A 100 1.629 -1.054 3.170 1.00 0.00 C ATOM 1052 CG ASP A 100 1.573 -1.633 4.581 1.00 0.00 C ATOM 1053 OD1 ASP A 100 1.035 -2.746 4.759 1.00 0.00 O ATOM 1054 OD2 ASP A 100 2.064 -0.967 5.516 1.00 0.00 O ATOM 0 H ASP A 100 1.407 -0.356 0.902 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.548 -0.967 2.837 1.00 0.00 H new ATOM 0 HB2 ASP A 100 1.842 -1.860 2.468 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.460 -0.351 3.111 1.00 0.00 H new ATOM 1059 N LEU A 101 0.615 2.011 3.568 1.00 0.00 N ATOM 1060 CA LEU A 101 0.220 3.262 4.281 1.00 0.00 C ATOM 1061 C LEU A 101 -1.119 3.925 3.813 1.00 0.00 C ATOM 1062 O LEU A 101 -1.820 4.488 4.660 1.00 0.00 O ATOM 1063 CB LEU A 101 1.397 4.273 4.256 1.00 0.00 C ATOM 1064 CG LEU A 101 2.682 3.876 5.040 1.00 0.00 C ATOM 1065 CD1 LEU A 101 3.823 4.858 4.732 1.00 0.00 C ATOM 1066 CD2 LEU A 101 2.464 3.796 6.566 1.00 0.00 C ATOM 0 H LEU A 101 1.463 2.107 3.009 1.00 0.00 H new ATOM 0 HA LEU A 101 0.003 2.956 5.304 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.674 4.446 3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.037 5.223 4.652 1.00 0.00 H new ATOM 0 HG LEU A 101 2.948 2.875 4.702 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.714 4.566 5.288 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.040 4.840 3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.526 5.865 5.025 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.398 3.515 7.053 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.139 4.767 6.938 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.701 3.049 6.786 1.00 0.00 H new ATOM 1078 N SER A 102 -1.500 3.836 2.519 1.00 0.00 N ATOM 1079 CA SER A 102 -2.877 4.174 2.052 1.00 0.00 C ATOM 1080 C SER A 102 -4.001 3.094 2.251 1.00 0.00 C ATOM 1081 O SER A 102 -5.143 3.379 1.881 1.00 0.00 O ATOM 1082 CB SER A 102 -2.794 4.656 0.584 1.00 0.00 C ATOM 1083 OG SER A 102 -2.486 3.596 -0.316 1.00 0.00 O ATOM 0 H SER A 102 -0.876 3.532 1.772 1.00 0.00 H new ATOM 0 HA SER A 102 -3.219 4.964 2.720 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.744 5.108 0.298 1.00 0.00 H new ATOM 0 HB3 SER A 102 -2.034 5.433 0.501 1.00 0.00 H new ATOM 0 HG SER A 102 -1.514 3.474 -0.358 1.00 0.00 H new ATOM 1089 N VAL A 103 -3.736 1.910 2.864 1.00 0.00 N ATOM 1090 CA VAL A 103 -4.784 0.916 3.265 1.00 0.00 C ATOM 1091 C VAL A 103 -5.837 1.516 4.270 1.00 0.00 C ATOM 1092 O VAL A 103 -7.016 1.403 3.921 1.00 0.00 O ATOM 1093 CB VAL A 103 -4.156 -0.455 3.717 1.00 0.00 C ATOM 1094 CG1 VAL A 103 -5.124 -1.418 4.444 1.00 0.00 C ATOM 1095 CG2 VAL A 103 -3.542 -1.248 2.542 1.00 0.00 C ATOM 0 H VAL A 103 -2.789 1.611 3.097 1.00 0.00 H new ATOM 0 HA VAL A 103 -5.366 0.681 2.374 1.00 0.00 H new ATOM 0 HB VAL A 103 -3.390 -0.132 4.422 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.594 -2.332 4.713 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -5.503 -0.939 5.347 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.957 -1.662 3.785 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.124 -2.184 2.913 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -4.315 -1.463 1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.752 -0.657 2.078 1.00 0.00 H new ATOM 1105 N PRO A 104 -5.525 2.158 5.442 1.00 0.00 N ATOM 1106 CA PRO A 104 -6.549 2.860 6.278 1.00 0.00 C ATOM 1107 C PRO A 104 -7.080 4.241 5.740 1.00 0.00 C ATOM 1108 O PRO A 104 -7.346 5.164 6.515 1.00 0.00 O ATOM 1109 CB PRO A 104 -5.809 2.945 7.632 1.00 0.00 C ATOM 1110 CG PRO A 104 -4.326 3.042 7.276 1.00 0.00 C ATOM 1111 CD PRO A 104 -4.184 2.134 6.060 1.00 0.00 C ATOM 0 HA PRO A 104 -7.499 2.327 6.306 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -6.134 3.814 8.204 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -6.010 2.067 8.246 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -4.036 4.067 7.046 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -3.694 2.709 8.100 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -3.421 2.501 5.374 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -3.894 1.123 6.347 1.00 0.00 H new ATOM 1119 N LEU A 105 -7.288 4.343 4.414 1.00 0.00 N ATOM 1120 CA LEU A 105 -7.857 5.526 3.715 1.00 0.00 C ATOM 1121 C LEU A 105 -8.739 5.079 2.505 1.00 0.00 C ATOM 1122 O LEU A 105 -9.831 5.632 2.339 1.00 0.00 O ATOM 1123 CB LEU A 105 -6.758 6.521 3.237 1.00 0.00 C ATOM 1124 CG LEU A 105 -5.958 7.289 4.323 1.00 0.00 C ATOM 1125 CD1 LEU A 105 -4.748 8.015 3.708 1.00 0.00 C ATOM 1126 CD2 LEU A 105 -6.822 8.298 5.108 1.00 0.00 C ATOM 0 H LEU A 105 -7.059 3.583 3.773 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.478 6.051 4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.046 5.966 2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.231 7.256 2.586 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.612 6.534 5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.205 8.545 4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.087 7.287 3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.093 8.728 2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.206 8.803 5.852 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.237 9.035 4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.635 7.770 5.607 1.00 0.00 H new ATOM 1138 N MET A 106 -8.279 4.130 1.648 1.00 0.00 N ATOM 1139 CA MET A 106 -8.992 3.731 0.407 1.00 0.00 C ATOM 1140 C MET A 106 -10.214 2.814 0.696 1.00 0.00 C ATOM 1141 O MET A 106 -10.063 1.680 1.158 1.00 0.00 O ATOM 1142 CB MET A 106 -8.014 3.139 -0.649 1.00 0.00 C ATOM 1143 CG MET A 106 -7.281 1.826 -0.311 1.00 0.00 C ATOM 1144 SD MET A 106 -6.136 1.442 -1.649 1.00 0.00 S ATOM 1145 CE MET A 106 -5.192 0.084 -0.932 1.00 0.00 C ATOM 0 H MET A 106 -7.407 3.622 1.798 1.00 0.00 H new ATOM 0 HA MET A 106 -9.408 4.636 -0.035 1.00 0.00 H new ATOM 0 HB2 MET A 106 -8.576 2.979 -1.569 1.00 0.00 H new ATOM 0 HB3 MET A 106 -7.259 3.895 -0.864 1.00 0.00 H new ATOM 0 HG2 MET A 106 -6.742 1.926 0.631 1.00 0.00 H new ATOM 0 HG3 MET A 106 -7.998 1.015 -0.183 1.00 0.00 H new ATOM 0 HE1 MET A 106 -4.444 -0.257 -1.648 1.00 0.00 H new ATOM 0 HE2 MET A 106 -4.696 0.426 -0.024 1.00 0.00 H new ATOM 0 HE3 MET A 106 -5.865 -0.739 -0.690 1.00 0.00 H new ATOM 1155 N ASP A 107 -11.416 3.343 0.419 1.00 0.00 N ATOM 1156 CA ASP A 107 -12.707 2.622 0.623 1.00 0.00 C ATOM 1157 C ASP A 107 -13.308 2.108 -0.728 1.00 0.00 C ATOM 1158 O ASP A 107 -12.900 2.493 -1.833 1.00 0.00 O ATOM 1159 CB ASP A 107 -13.653 3.535 1.458 1.00 0.00 C ATOM 1160 CG ASP A 107 -13.287 3.652 2.945 1.00 0.00 C ATOM 1161 OD1 ASP A 107 -12.324 4.372 3.285 1.00 0.00 O ATOM 1162 OD2 ASP A 107 -13.941 3.008 3.790 1.00 0.00 O ATOM 0 H ASP A 107 -11.533 4.285 0.046 1.00 0.00 H new ATOM 0 HA ASP A 107 -12.551 1.707 1.195 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -13.653 4.533 1.019 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -14.670 3.151 1.378 1.00 0.00 H new ATOM 1167 N VAL A 108 -14.273 1.172 -0.625 1.00 0.00 N ATOM 1168 CA VAL A 108 -14.758 0.363 -1.785 1.00 0.00 C ATOM 1169 C VAL A 108 -15.499 1.240 -2.847 1.00 0.00 C ATOM 1170 O VAL A 108 -16.528 1.851 -2.543 1.00 0.00 O ATOM 1171 CB VAL A 108 -15.586 -0.890 -1.321 1.00 0.00 C ATOM 1172 CG1 VAL A 108 -14.747 -1.896 -0.502 1.00 0.00 C ATOM 1173 CG2 VAL A 108 -16.888 -0.595 -0.539 1.00 0.00 C ATOM 0 H VAL A 108 -14.741 0.949 0.253 1.00 0.00 H new ATOM 0 HA VAL A 108 -13.879 -0.033 -2.294 1.00 0.00 H new ATOM 0 HB VAL A 108 -15.881 -1.324 -2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -15.373 -2.739 -0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -13.915 -2.254 -1.108 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -14.360 -1.405 0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -17.373 -1.534 -0.272 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -16.650 -0.039 0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -17.560 -0.004 -1.161 1.00 0.00 H new ATOM 1183 N GLY A 109 -14.932 1.330 -4.066 1.00 0.00 N ATOM 1184 CA GLY A 109 -15.449 2.232 -5.128 1.00 0.00 C ATOM 1185 C GLY A 109 -14.503 3.351 -5.624 1.00 0.00 C ATOM 1186 O GLY A 109 -14.511 3.635 -6.827 1.00 0.00 O ATOM 0 H GLY A 109 -14.113 0.790 -4.345 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -15.728 1.620 -5.986 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -16.362 2.700 -4.760 1.00 0.00 H new ATOM 1190 N GLU A 110 -13.738 4.021 -4.734 1.00 0.00 N ATOM 1191 CA GLU A 110 -12.897 5.194 -5.107 1.00 0.00 C ATOM 1192 C GLU A 110 -11.628 4.867 -5.967 1.00 0.00 C ATOM 1193 O GLU A 110 -10.830 3.977 -5.650 1.00 0.00 O ATOM 1194 CB GLU A 110 -12.509 6.025 -3.845 1.00 0.00 C ATOM 1195 CG GLU A 110 -11.698 5.307 -2.729 1.00 0.00 C ATOM 1196 CD GLU A 110 -10.670 6.147 -1.997 1.00 0.00 C ATOM 1197 OE1 GLU A 110 -9.502 6.180 -2.432 1.00 0.00 O ATOM 1198 OE2 GLU A 110 -10.977 6.736 -0.942 1.00 0.00 O ATOM 0 H GLU A 110 -13.682 3.772 -3.746 1.00 0.00 H new ATOM 0 HA GLU A 110 -13.532 5.789 -5.763 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -11.932 6.889 -4.176 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -13.427 6.407 -3.399 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -12.401 4.912 -1.996 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -11.187 4.453 -3.173 1.00 0.00 H new ATOM 1205 N THR A 111 -11.426 5.688 -7.015 1.00 0.00 N ATOM 1206 CA THR A 111 -10.082 5.920 -7.613 1.00 0.00 C ATOM 1207 C THR A 111 -9.474 7.146 -6.871 1.00 0.00 C ATOM 1208 O THR A 111 -10.073 8.224 -6.822 1.00 0.00 O ATOM 1209 CB THR A 111 -10.173 6.154 -9.151 1.00 0.00 C ATOM 1210 OG1 THR A 111 -10.785 5.031 -9.779 1.00 0.00 O ATOM 1211 CG2 THR A 111 -8.817 6.388 -9.846 1.00 0.00 C ATOM 0 H THR A 111 -12.175 6.207 -7.472 1.00 0.00 H new ATOM 0 HA THR A 111 -9.444 5.045 -7.491 1.00 0.00 H new ATOM 0 HB THR A 111 -10.762 7.065 -9.261 1.00 0.00 H new ATOM 0 HG1 THR A 111 -10.840 5.186 -10.745 1.00 0.00 H new ATOM 0 HG21 THR A 111 -8.977 6.541 -10.913 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.337 7.269 -9.420 1.00 0.00 H new ATOM 0 HG23 THR A 111 -8.177 5.519 -9.696 1.00 0.00 H new ATOM 1219 N ALA A 112 -8.271 6.963 -6.313 1.00 0.00 N ATOM 1220 CA ALA A 112 -7.483 8.067 -5.718 1.00 0.00 C ATOM 1221 C ALA A 112 -6.002 7.813 -6.041 1.00 0.00 C ATOM 1222 O ALA A 112 -5.452 6.774 -5.656 1.00 0.00 O ATOM 1223 CB ALA A 112 -7.693 8.140 -4.194 1.00 0.00 C ATOM 0 H ALA A 112 -7.812 6.054 -6.258 1.00 0.00 H new ATOM 0 HA ALA A 112 -7.809 9.020 -6.135 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.102 8.959 -3.784 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -8.748 8.311 -3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -7.377 7.202 -3.738 1.00 0.00 H new ATOM 1229 N MET A 113 -5.345 8.774 -6.723 1.00 0.00 N ATOM 1230 CA MET A 113 -3.895 8.671 -7.007 1.00 0.00 C ATOM 1231 C MET A 113 -3.064 8.983 -5.736 1.00 0.00 C ATOM 1232 O MET A 113 -3.220 10.018 -5.081 1.00 0.00 O ATOM 1233 CB MET A 113 -3.429 9.435 -8.270 1.00 0.00 C ATOM 1234 CG MET A 113 -3.410 10.968 -8.203 1.00 0.00 C ATOM 1235 SD MET A 113 -2.533 11.688 -9.615 1.00 0.00 S ATOM 1236 CE MET A 113 -3.517 11.161 -11.037 1.00 0.00 C ATOM 0 H MET A 113 -5.786 9.620 -7.084 1.00 0.00 H new ATOM 0 HA MET A 113 -3.702 7.632 -7.273 1.00 0.00 H new ATOM 0 HB2 MET A 113 -2.423 9.096 -8.516 1.00 0.00 H new ATOM 0 HB3 MET A 113 -4.075 9.142 -9.098 1.00 0.00 H new ATOM 0 HG2 MET A 113 -4.433 11.344 -8.179 1.00 0.00 H new ATOM 0 HG3 MET A 113 -2.932 11.286 -7.277 1.00 0.00 H new ATOM 0 HE1 MET A 113 -3.143 11.647 -11.938 1.00 0.00 H new ATOM 0 HE2 MET A 113 -3.442 10.079 -11.150 1.00 0.00 H new ATOM 0 HE3 MET A 113 -4.560 11.438 -10.881 1.00 0.00 H new ATOM 1246 N VAL A 114 -2.196 8.024 -5.423 1.00 0.00 N ATOM 1247 CA VAL A 114 -1.327 8.054 -4.219 1.00 0.00 C ATOM 1248 C VAL A 114 0.066 8.478 -4.763 1.00 0.00 C ATOM 1249 O VAL A 114 0.830 7.651 -5.267 1.00 0.00 O ATOM 1250 CB VAL A 114 -1.383 6.674 -3.477 1.00 0.00 C ATOM 1251 CG1 VAL A 114 -0.386 6.577 -2.306 1.00 0.00 C ATOM 1252 CG2 VAL A 114 -2.785 6.330 -2.916 1.00 0.00 C ATOM 0 H VAL A 114 -2.065 7.190 -5.995 1.00 0.00 H new ATOM 0 HA VAL A 114 -1.636 8.759 -3.447 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.116 5.960 -4.256 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -0.474 5.599 -1.834 1.00 0.00 H new ATOM 0 HG12 VAL A 114 0.629 6.709 -2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -0.607 7.354 -1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -2.749 5.362 -2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -3.089 7.096 -2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -3.504 6.289 -3.734 1.00 0.00 H new ATOM 1262 N THR A 115 0.352 9.791 -4.692 1.00 0.00 N ATOM 1263 CA THR A 115 1.523 10.405 -5.373 1.00 0.00 C ATOM 1264 C THR A 115 2.733 10.354 -4.405 1.00 0.00 C ATOM 1265 O THR A 115 2.807 11.103 -3.428 1.00 0.00 O ATOM 1266 CB THR A 115 1.214 11.837 -5.895 1.00 0.00 C ATOM 1267 OG1 THR A 115 0.843 12.710 -4.832 1.00 0.00 O ATOM 1268 CG2 THR A 115 0.109 11.882 -6.964 1.00 0.00 C ATOM 0 H THR A 115 -0.213 10.458 -4.167 1.00 0.00 H new ATOM 0 HA THR A 115 1.770 9.835 -6.269 1.00 0.00 H new ATOM 0 HB THR A 115 2.144 12.169 -6.356 1.00 0.00 H new ATOM 0 HG1 THR A 115 0.621 13.592 -5.196 1.00 0.00 H new ATOM 0 HG21 THR A 115 -0.050 12.913 -7.279 1.00 0.00 H new ATOM 0 HG22 THR A 115 0.409 11.282 -7.823 1.00 0.00 H new ATOM 0 HG23 THR A 115 -0.816 11.483 -6.548 1.00 0.00 H new ATOM 1276 N ALA A 116 3.629 9.396 -4.676 1.00 0.00 N ATOM 1277 CA ALA A 116 4.626 8.908 -3.700 1.00 0.00 C ATOM 1278 C ALA A 116 6.061 9.050 -4.252 1.00 0.00 C ATOM 1279 O ALA A 116 6.307 8.784 -5.431 1.00 0.00 O ATOM 1280 CB ALA A 116 4.303 7.419 -3.473 1.00 0.00 C ATOM 0 H ALA A 116 3.687 8.932 -5.582 1.00 0.00 H new ATOM 0 HA ALA A 116 4.578 9.485 -2.777 1.00 0.00 H new ATOM 0 HB1 ALA A 116 5.009 6.999 -2.757 1.00 0.00 H new ATOM 0 HB2 ALA A 116 3.290 7.322 -3.083 1.00 0.00 H new ATOM 0 HB3 ALA A 116 4.381 6.882 -4.418 1.00 0.00 H new ATOM 1286 N ASP A 117 7.030 9.376 -3.378 1.00 0.00 N ATOM 1287 CA ASP A 117 8.483 9.324 -3.724 1.00 0.00 C ATOM 1288 C ASP A 117 8.977 7.897 -4.177 1.00 0.00 C ATOM 1289 O ASP A 117 8.347 6.869 -3.895 1.00 0.00 O ATOM 1290 CB ASP A 117 9.231 9.867 -2.470 1.00 0.00 C ATOM 1291 CG ASP A 117 10.699 10.230 -2.690 1.00 0.00 C ATOM 1292 OD1 ASP A 117 10.979 11.367 -3.120 1.00 0.00 O ATOM 1293 OD2 ASP A 117 11.574 9.372 -2.449 1.00 0.00 O ATOM 0 H ASP A 117 6.844 9.680 -2.422 1.00 0.00 H new ATOM 0 HA ASP A 117 8.692 9.935 -4.602 1.00 0.00 H new ATOM 0 HB2 ASP A 117 8.706 10.751 -2.109 1.00 0.00 H new ATOM 0 HB3 ASP A 117 9.174 9.118 -1.681 1.00 0.00 H new ATOM 1298 N SER A 118 10.145 7.842 -4.841 1.00 0.00 N ATOM 1299 CA SER A 118 10.942 6.581 -4.955 1.00 0.00 C ATOM 1300 C SER A 118 11.300 5.856 -3.609 1.00 0.00 C ATOM 1301 O SER A 118 11.270 4.624 -3.578 1.00 0.00 O ATOM 1302 CB SER A 118 12.194 6.827 -5.821 1.00 0.00 C ATOM 1303 OG SER A 118 13.074 7.751 -5.197 1.00 0.00 O ATOM 0 H SER A 118 10.567 8.644 -5.309 1.00 0.00 H new ATOM 0 HA SER A 118 10.275 5.870 -5.444 1.00 0.00 H new ATOM 0 HB2 SER A 118 12.713 5.884 -5.991 1.00 0.00 H new ATOM 0 HB3 SER A 118 11.895 7.207 -6.798 1.00 0.00 H new ATOM 0 HG SER A 118 12.612 8.606 -5.067 1.00 0.00 H new ATOM 1309 N LYS A 119 11.557 6.594 -2.502 1.00 0.00 N ATOM 1310 CA LYS A 119 11.510 6.046 -1.113 1.00 0.00 C ATOM 1311 C LYS A 119 10.156 5.394 -0.674 1.00 0.00 C ATOM 1312 O LYS A 119 10.188 4.328 -0.049 1.00 0.00 O ATOM 1313 CB LYS A 119 11.993 7.179 -0.158 1.00 0.00 C ATOM 1314 CG LYS A 119 12.241 6.792 1.325 1.00 0.00 C ATOM 1315 CD LYS A 119 11.006 6.965 2.241 1.00 0.00 C ATOM 1316 CE LYS A 119 11.238 6.406 3.655 1.00 0.00 C ATOM 1317 NZ LYS A 119 9.998 6.564 4.462 1.00 0.00 N ATOM 0 H LYS A 119 11.802 7.583 -2.540 1.00 0.00 H new ATOM 0 HA LYS A 119 12.176 5.184 -1.066 1.00 0.00 H new ATOM 0 HB2 LYS A 119 12.919 7.590 -0.560 1.00 0.00 H new ATOM 0 HB3 LYS A 119 11.253 7.979 -0.180 1.00 0.00 H new ATOM 0 HG2 LYS A 119 12.568 5.753 1.368 1.00 0.00 H new ATOM 0 HG3 LYS A 119 13.057 7.400 1.716 1.00 0.00 H new ATOM 0 HD2 LYS A 119 10.754 8.023 2.309 1.00 0.00 H new ATOM 0 HD3 LYS A 119 10.150 6.462 1.791 1.00 0.00 H new ATOM 0 HE2 LYS A 119 11.517 5.354 3.600 1.00 0.00 H new ATOM 0 HE3 LYS A 119 12.065 6.930 4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 10.222 7.056 5.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 9.303 7.120 3.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 9.601 5.627 4.676 1.00 0.00 H new ATOM 1331 N TYR A 120 9.001 6.022 -0.978 1.00 0.00 N ATOM 1332 CA TYR A 120 7.658 5.402 -0.780 1.00 0.00 C ATOM 1333 C TYR A 120 7.255 4.548 -2.027 1.00 0.00 C ATOM 1334 O TYR A 120 6.294 4.852 -2.738 1.00 0.00 O ATOM 1335 CB TYR A 120 6.620 6.517 -0.451 1.00 0.00 C ATOM 1336 CG TYR A 120 6.758 7.202 0.919 1.00 0.00 C ATOM 1337 CD1 TYR A 120 6.164 6.629 2.049 1.00 0.00 C ATOM 1338 CD2 TYR A 120 7.464 8.401 1.050 1.00 0.00 C ATOM 1339 CE1 TYR A 120 6.297 7.238 3.293 1.00 0.00 C ATOM 1340 CE2 TYR A 120 7.596 9.009 2.295 1.00 0.00 C ATOM 1341 CZ TYR A 120 7.012 8.424 3.418 1.00 0.00 C ATOM 1342 OH TYR A 120 7.156 9.007 4.649 1.00 0.00 O ATOM 0 H TYR A 120 8.964 6.965 -1.365 1.00 0.00 H new ATOM 0 HA TYR A 120 7.686 4.714 0.065 1.00 0.00 H new ATOM 0 HB2 TYR A 120 6.686 7.283 -1.223 1.00 0.00 H new ATOM 0 HB3 TYR A 120 5.622 6.084 -0.517 1.00 0.00 H new ATOM 0 HD1 TYR A 120 5.601 5.712 1.955 1.00 0.00 H new ATOM 0 HD2 TYR A 120 7.910 8.859 0.179 1.00 0.00 H new ATOM 0 HE1 TYR A 120 5.844 6.788 4.164 1.00 0.00 H new ATOM 0 HE2 TYR A 120 8.149 9.932 2.391 1.00 0.00 H new ATOM 0 HH TYR A 120 7.683 9.828 4.562 1.00 0.00 H new ATOM 1352 N CYS A 121 8.025 3.477 -2.296 1.00 0.00 N ATOM 1353 CA CYS A 121 7.853 2.596 -3.479 1.00 0.00 C ATOM 1354 C CYS A 121 8.800 1.380 -3.277 1.00 0.00 C ATOM 1355 O CYS A 121 8.325 0.295 -2.934 1.00 0.00 O ATOM 1356 CB CYS A 121 8.027 3.321 -4.845 1.00 0.00 C ATOM 1357 SG CYS A 121 7.578 2.219 -6.225 1.00 0.00 S ATOM 0 H CYS A 121 8.796 3.191 -1.693 1.00 0.00 H new ATOM 0 HA CYS A 121 6.820 2.254 -3.539 1.00 0.00 H new ATOM 0 HB2 CYS A 121 7.403 4.214 -4.870 1.00 0.00 H new ATOM 0 HB3 CYS A 121 9.060 3.650 -4.958 1.00 0.00 H new ATOM 0 HG CYS A 121 8.151 1.064 -6.062 1.00 0.00 H new ATOM 1363 N TYR A 122 10.127 1.556 -3.469 1.00 0.00 N ATOM 1364 CA TYR A 122 11.148 0.479 -3.270 1.00 0.00 C ATOM 1365 C TYR A 122 12.463 0.940 -2.540 1.00 0.00 C ATOM 1366 O TYR A 122 13.395 0.134 -2.445 1.00 0.00 O ATOM 1367 CB TYR A 122 11.503 -0.163 -4.651 1.00 0.00 C ATOM 1368 CG TYR A 122 10.366 -0.921 -5.366 1.00 0.00 C ATOM 1369 CD1 TYR A 122 10.007 -2.210 -4.960 1.00 0.00 C ATOM 1370 CD2 TYR A 122 9.671 -0.315 -6.419 1.00 0.00 C ATOM 1371 CE1 TYR A 122 8.967 -2.883 -5.596 1.00 0.00 C ATOM 1372 CE2 TYR A 122 8.624 -0.986 -7.047 1.00 0.00 C ATOM 1373 CZ TYR A 122 8.275 -2.271 -6.639 1.00 0.00 C ATOM 1374 OH TYR A 122 7.240 -2.928 -7.253 1.00 0.00 O ATOM 0 H TYR A 122 10.529 2.445 -3.766 1.00 0.00 H new ATOM 0 HA TYR A 122 10.687 -0.249 -2.602 1.00 0.00 H new ATOM 0 HB2 TYR A 122 11.857 0.626 -5.314 1.00 0.00 H new ATOM 0 HB3 TYR A 122 12.334 -0.853 -4.504 1.00 0.00 H new ATOM 0 HD1 TYR A 122 10.539 -2.686 -4.149 1.00 0.00 H new ATOM 0 HD2 TYR A 122 9.947 0.677 -6.746 1.00 0.00 H new ATOM 0 HE1 TYR A 122 8.697 -3.880 -5.281 1.00 0.00 H new ATOM 0 HE2 TYR A 122 8.083 -0.509 -7.851 1.00 0.00 H new ATOM 0 HH TYR A 122 6.865 -2.360 -7.958 1.00 0.00 H new ATOM 1384 N GLY A 123 12.577 2.191 -2.041 1.00 0.00 N ATOM 1385 CA GLY A 123 13.886 2.815 -1.732 1.00 0.00 C ATOM 1386 C GLY A 123 14.408 3.688 -2.915 1.00 0.00 C ATOM 1387 O GLY A 123 14.174 3.298 -4.067 1.00 0.00 O ATOM 0 H GLY A 123 11.776 2.791 -1.843 1.00 0.00 H new ATOM 0 HA2 GLY A 123 13.792 3.433 -0.839 1.00 0.00 H new ATOM 0 HA3 GLY A 123 14.615 2.037 -1.506 1.00 0.00 H new ATOM 1391 N PRO A 124 15.128 4.833 -2.722 1.00 0.00 N ATOM 1392 CA PRO A 124 15.591 5.696 -3.845 1.00 0.00 C ATOM 1393 C PRO A 124 16.918 5.176 -4.483 1.00 0.00 C ATOM 1394 O PRO A 124 18.012 5.650 -4.158 1.00 0.00 O ATOM 1395 CB PRO A 124 15.699 7.062 -3.137 1.00 0.00 C ATOM 1396 CG PRO A 124 16.117 6.740 -1.700 1.00 0.00 C ATOM 1397 CD PRO A 124 15.418 5.413 -1.393 1.00 0.00 C ATOM 0 HA PRO A 124 14.933 5.725 -4.714 1.00 0.00 H new ATOM 0 HB2 PRO A 124 16.433 7.702 -3.626 1.00 0.00 H new ATOM 0 HB3 PRO A 124 14.748 7.593 -3.160 1.00 0.00 H new ATOM 0 HG2 PRO A 124 17.200 6.650 -1.611 1.00 0.00 H new ATOM 0 HG3 PRO A 124 15.805 7.523 -1.010 1.00 0.00 H new ATOM 0 HD2 PRO A 124 16.056 4.755 -0.803 1.00 0.00 H new ATOM 0 HD3 PRO A 124 14.504 5.569 -0.820 1.00 0.00 H new ATOM 1405 N GLN A 125 16.798 4.160 -5.360 1.00 0.00 N ATOM 1406 CA GLN A 125 17.951 3.333 -5.811 1.00 0.00 C ATOM 1407 C GLN A 125 17.851 3.069 -7.340 1.00 0.00 C ATOM 1408 O GLN A 125 18.623 3.661 -8.100 1.00 0.00 O ATOM 1409 CB GLN A 125 18.096 2.028 -4.965 1.00 0.00 C ATOM 1410 CG GLN A 125 18.475 2.168 -3.471 1.00 0.00 C ATOM 1411 CD GLN A 125 19.886 2.724 -3.207 1.00 0.00 C ATOM 1412 OE1 GLN A 125 20.075 3.921 -2.995 1.00 0.00 O ATOM 1413 NE2 GLN A 125 20.901 1.872 -3.208 1.00 0.00 N ATOM 0 H GLN A 125 15.909 3.885 -5.777 1.00 0.00 H new ATOM 0 HA GLN A 125 18.873 3.889 -5.639 1.00 0.00 H new ATOM 0 HB2 GLN A 125 17.151 1.488 -5.020 1.00 0.00 H new ATOM 0 HB3 GLN A 125 18.849 1.402 -5.443 1.00 0.00 H new ATOM 0 HG2 GLN A 125 17.748 2.820 -2.987 1.00 0.00 H new ATOM 0 HG3 GLN A 125 18.392 1.190 -2.997 1.00 0.00 H new ATOM 0 HE21 GLN A 125 20.735 0.881 -3.385 1.00 0.00 H new ATOM 0 HE22 GLN A 125 21.848 2.207 -3.032 1.00 0.00 H new ATOM 1422 N GLY A 126 16.944 2.177 -7.788 1.00 0.00 N ATOM 1423 CA GLY A 126 16.887 1.739 -9.197 1.00 0.00 C ATOM 1424 C GLY A 126 16.186 0.375 -9.299 1.00 0.00 C ATOM 1425 O GLY A 126 16.837 -0.656 -9.109 1.00 0.00 O ATOM 0 H GLY A 126 16.239 1.745 -7.191 1.00 0.00 H new ATOM 0 HA2 GLY A 126 16.351 2.477 -9.794 1.00 0.00 H new ATOM 0 HA3 GLY A 126 17.895 1.670 -9.605 1.00 0.00 H new ATOM 1429 N ARG A 127 14.875 0.385 -9.602 1.00 0.00 N ATOM 1430 CA ARG A 127 14.065 -0.854 -9.769 1.00 0.00 C ATOM 1431 C ARG A 127 13.501 -0.957 -11.222 1.00 0.00 C ATOM 1432 O ARG A 127 13.044 0.032 -11.807 1.00 0.00 O ATOM 1433 CB ARG A 127 12.944 -0.855 -8.689 1.00 0.00 C ATOM 1434 CG ARG A 127 12.252 -2.222 -8.428 1.00 0.00 C ATOM 1435 CD ARG A 127 12.835 -3.079 -7.283 1.00 0.00 C ATOM 1436 NE ARG A 127 14.159 -3.685 -7.605 1.00 0.00 N ATOM 1437 CZ ARG A 127 15.345 -3.257 -7.164 1.00 0.00 C ATOM 1438 NH1 ARG A 127 15.504 -2.197 -6.411 1.00 0.00 N ATOM 1439 NH2 ARG A 127 16.407 -3.926 -7.507 1.00 0.00 N ATOM 0 H ARG A 127 14.342 1.244 -9.739 1.00 0.00 H new ATOM 0 HA ARG A 127 14.686 -1.738 -9.625 1.00 0.00 H new ATOM 0 HB2 ARG A 127 13.371 -0.501 -7.751 1.00 0.00 H new ATOM 0 HB3 ARG A 127 12.181 -0.134 -8.984 1.00 0.00 H new ATOM 0 HG2 ARG A 127 11.199 -2.037 -8.214 1.00 0.00 H new ATOM 0 HG3 ARG A 127 12.293 -2.807 -9.347 1.00 0.00 H new ATOM 0 HD2 ARG A 127 12.936 -2.460 -6.392 1.00 0.00 H new ATOM 0 HD3 ARG A 127 12.130 -3.874 -7.041 1.00 0.00 H new ATOM 0 HE ARG A 127 14.159 -4.500 -8.218 1.00 0.00 H new ATOM 0 HH11 ARG A 127 14.694 -1.646 -6.129 1.00 0.00 H new ATOM 0 HH12 ARG A 127 16.438 -1.923 -6.107 1.00 0.00 H new ATOM 0 HH21 ARG A 127 16.320 -4.753 -8.097 1.00 0.00 H new ATOM 0 HH22 ARG A 127 17.326 -3.623 -7.185 1.00 0.00 H new ATOM 1453 N SER A 128 13.496 -2.185 -11.775 1.00 0.00 N ATOM 1454 CA SER A 128 12.950 -2.467 -13.130 1.00 0.00 C ATOM 1455 C SER A 128 11.393 -2.273 -13.236 1.00 0.00 C ATOM 1456 O SER A 128 10.699 -2.668 -12.291 1.00 0.00 O ATOM 1457 CB SER A 128 13.378 -3.886 -13.573 1.00 0.00 C ATOM 1458 OG SER A 128 12.822 -4.905 -12.745 1.00 0.00 O ATOM 0 H SER A 128 13.867 -3.010 -11.303 1.00 0.00 H new ATOM 0 HA SER A 128 13.373 -1.728 -13.811 1.00 0.00 H new ATOM 0 HB2 SER A 128 13.068 -4.051 -14.605 1.00 0.00 H new ATOM 0 HB3 SER A 128 14.465 -3.958 -13.552 1.00 0.00 H new ATOM 0 HG SER A 128 13.118 -5.783 -13.064 1.00 0.00 H new ATOM 1464 N PRO A 129 10.802 -1.682 -14.319 1.00 0.00 N ATOM 1465 CA PRO A 129 11.510 -1.315 -15.578 1.00 0.00 C ATOM 1466 C PRO A 129 12.351 0.002 -15.564 1.00 0.00 C ATOM 1467 O PRO A 129 13.473 -0.016 -16.079 1.00 0.00 O ATOM 1468 CB PRO A 129 10.364 -1.307 -16.611 1.00 0.00 C ATOM 1469 CG PRO A 129 9.108 -0.940 -15.820 1.00 0.00 C ATOM 1470 CD PRO A 129 9.333 -1.562 -14.442 1.00 0.00 C ATOM 0 HA PRO A 129 12.310 -2.023 -15.795 1.00 0.00 H new ATOM 0 HB2 PRO A 129 10.555 -0.584 -17.404 1.00 0.00 H new ATOM 0 HB3 PRO A 129 10.258 -2.282 -17.088 1.00 0.00 H new ATOM 0 HG2 PRO A 129 8.982 0.141 -15.753 1.00 0.00 H new ATOM 0 HG3 PRO A 129 8.210 -1.337 -16.293 1.00 0.00 H new ATOM 0 HD2 PRO A 129 8.920 -0.935 -13.652 1.00 0.00 H new ATOM 0 HD3 PRO A 129 8.848 -2.535 -14.363 1.00 0.00 H new ATOM 1478 N TYR A 130 11.835 1.122 -15.014 1.00 0.00 N ATOM 1479 CA TYR A 130 12.565 2.406 -14.935 1.00 0.00 C ATOM 1480 C TYR A 130 11.969 3.210 -13.747 1.00 0.00 C ATOM 1481 O TYR A 130 11.028 3.997 -13.898 1.00 0.00 O ATOM 1482 CB TYR A 130 12.624 3.179 -16.286 1.00 0.00 C ATOM 1483 CG TYR A 130 11.313 3.635 -16.964 1.00 0.00 C ATOM 1484 CD1 TYR A 130 10.559 2.737 -17.726 1.00 0.00 C ATOM 1485 CD2 TYR A 130 10.895 4.967 -16.863 1.00 0.00 C ATOM 1486 CE1 TYR A 130 9.403 3.162 -18.373 1.00 0.00 C ATOM 1487 CE2 TYR A 130 9.741 5.391 -17.512 1.00 0.00 C ATOM 1488 CZ TYR A 130 8.999 4.491 -18.274 1.00 0.00 C ATOM 1489 OH TYR A 130 7.887 4.916 -18.950 1.00 0.00 O ATOM 0 H TYR A 130 10.899 1.162 -14.611 1.00 0.00 H new ATOM 0 HA TYR A 130 13.621 2.223 -14.739 1.00 0.00 H new ATOM 0 HB2 TYR A 130 13.234 4.068 -16.126 1.00 0.00 H new ATOM 0 HB3 TYR A 130 13.157 2.550 -16.998 1.00 0.00 H new ATOM 0 HD1 TYR A 130 10.876 1.708 -17.813 1.00 0.00 H new ATOM 0 HD2 TYR A 130 11.472 5.669 -16.278 1.00 0.00 H new ATOM 0 HE1 TYR A 130 8.819 2.462 -18.952 1.00 0.00 H new ATOM 0 HE2 TYR A 130 9.420 6.418 -17.425 1.00 0.00 H new ATOM 0 HH TYR A 130 7.404 5.573 -18.406 1.00 0.00 H new ATOM 1499 N ILE A 131 12.541 2.981 -12.553 1.00 0.00 N ATOM 1500 CA ILE A 131 12.162 3.703 -11.305 1.00 0.00 C ATOM 1501 C ILE A 131 13.502 4.369 -10.825 1.00 0.00 C ATOM 1502 O ILE A 131 14.202 3.740 -10.024 1.00 0.00 O ATOM 1503 CB ILE A 131 11.443 2.748 -10.279 1.00 0.00 C ATOM 1504 CG1 ILE A 131 10.127 2.136 -10.866 1.00 0.00 C ATOM 1505 CG2 ILE A 131 11.173 3.458 -8.925 1.00 0.00 C ATOM 1506 CD1 ILE A 131 9.395 1.083 -10.022 1.00 0.00 C ATOM 0 H ILE A 131 13.280 2.292 -12.415 1.00 0.00 H new ATOM 0 HA ILE A 131 11.407 4.477 -11.444 1.00 0.00 H new ATOM 0 HB ILE A 131 12.128 1.922 -10.090 1.00 0.00 H new ATOM 0 HG12 ILE A 131 9.433 2.954 -11.059 1.00 0.00 H new ATOM 0 HG13 ILE A 131 10.366 1.687 -11.830 1.00 0.00 H new ATOM 0 HG21 ILE A 131 10.676 2.767 -8.244 1.00 0.00 H new ATOM 0 HG22 ILE A 131 12.118 3.781 -8.488 1.00 0.00 H new ATOM 0 HG23 ILE A 131 10.535 4.326 -9.090 1.00 0.00 H new ATOM 0 HD11 ILE A 131 8.503 0.748 -10.551 1.00 0.00 H new ATOM 0 HD12 ILE A 131 10.055 0.233 -9.849 1.00 0.00 H new ATOM 0 HD13 ILE A 131 9.107 1.519 -9.066 1.00 0.00 H new ATOM 1518 N PRO A 132 13.917 5.595 -11.279 1.00 0.00 N ATOM 1519 CA PRO A 132 15.266 6.152 -10.974 1.00 0.00 C ATOM 1520 C PRO A 132 15.446 6.728 -9.522 1.00 0.00 C ATOM 1521 O PRO A 132 14.435 6.973 -8.851 1.00 0.00 O ATOM 1522 CB PRO A 132 15.450 7.202 -12.090 1.00 0.00 C ATOM 1523 CG PRO A 132 14.047 7.620 -12.525 1.00 0.00 C ATOM 1524 CD PRO A 132 13.187 6.380 -12.297 1.00 0.00 C ATOM 0 HA PRO A 132 16.036 5.380 -10.969 1.00 0.00 H new ATOM 0 HB2 PRO A 132 16.016 8.060 -11.726 1.00 0.00 H new ATOM 0 HB3 PRO A 132 16.008 6.784 -12.928 1.00 0.00 H new ATOM 0 HG2 PRO A 132 13.686 8.466 -11.940 1.00 0.00 H new ATOM 0 HG3 PRO A 132 14.031 7.926 -13.571 1.00 0.00 H new ATOM 0 HD2 PRO A 132 12.190 6.649 -11.949 1.00 0.00 H new ATOM 0 HD3 PRO A 132 13.060 5.812 -13.219 1.00 0.00 H new ATOM 1532 N PRO A 133 16.690 6.958 -8.997 1.00 0.00 N ATOM 1533 CA PRO A 133 16.912 7.399 -7.595 1.00 0.00 C ATOM 1534 C PRO A 133 16.491 8.876 -7.342 1.00 0.00 C ATOM 1535 O PRO A 133 16.993 9.804 -7.983 1.00 0.00 O ATOM 1536 CB PRO A 133 18.420 7.155 -7.390 1.00 0.00 C ATOM 1537 CG PRO A 133 19.043 7.210 -8.785 1.00 0.00 C ATOM 1538 CD PRO A 133 17.952 6.674 -9.712 1.00 0.00 C ATOM 0 HA PRO A 133 16.296 6.854 -6.880 1.00 0.00 H new ATOM 0 HB2 PRO A 133 18.854 7.913 -6.738 1.00 0.00 H new ATOM 0 HB3 PRO A 133 18.600 6.188 -6.919 1.00 0.00 H new ATOM 0 HG2 PRO A 133 19.327 8.228 -9.053 1.00 0.00 H new ATOM 0 HG3 PRO A 133 19.946 6.602 -8.841 1.00 0.00 H new ATOM 0 HD2 PRO A 133 17.978 7.168 -10.683 1.00 0.00 H new ATOM 0 HD3 PRO A 133 18.074 5.606 -9.894 1.00 0.00 H new ATOM 1546 N HIS A 134 15.532 9.051 -6.414 1.00 0.00 N ATOM 1547 CA HIS A 134 14.875 10.357 -6.102 1.00 0.00 C ATOM 1548 C HIS A 134 14.011 10.862 -7.298 1.00 0.00 C ATOM 1549 O HIS A 134 14.434 11.741 -8.058 1.00 0.00 O ATOM 1550 CB HIS A 134 15.825 11.437 -5.497 1.00 0.00 C ATOM 1551 CG HIS A 134 16.501 11.038 -4.180 1.00 0.00 C ATOM 1552 ND1 HIS A 134 15.885 11.056 -2.940 1.00 0.00 N ATOM 1553 CD2 HIS A 134 17.811 10.541 -4.053 1.00 0.00 C ATOM 1554 CE1 HIS A 134 16.899 10.555 -2.167 1.00 0.00 C ATOM 1555 NE2 HIS A 134 18.101 10.215 -2.736 1.00 0.00 N ATOM 0 H HIS A 134 15.178 8.283 -5.844 1.00 0.00 H new ATOM 0 HA HIS A 134 14.185 10.158 -5.282 1.00 0.00 H new ATOM 0 HB2 HIS A 134 16.598 11.671 -6.229 1.00 0.00 H new ATOM 0 HB3 HIS A 134 15.254 12.351 -5.333 1.00 0.00 H new ATOM 0 HD2 HIS A 134 18.502 10.428 -4.875 1.00 0.00 H new ATOM 0 HE1 HIS A 134 16.752 10.427 -1.105 1.00 0.00 H new ATOM 0 HE2 HIS A 134 18.951 9.837 -2.317 1.00 0.00 H new ATOM 1563 N ALA A 135 12.819 10.258 -7.472 1.00 0.00 N ATOM 1564 CA ALA A 135 11.920 10.534 -8.622 1.00 0.00 C ATOM 1565 C ALA A 135 10.483 10.114 -8.230 1.00 0.00 C ATOM 1566 O ALA A 135 10.215 8.934 -7.972 1.00 0.00 O ATOM 1567 CB ALA A 135 12.378 9.779 -9.884 1.00 0.00 C ATOM 0 H ALA A 135 12.448 9.565 -6.822 1.00 0.00 H new ATOM 0 HA ALA A 135 11.949 11.598 -8.856 1.00 0.00 H new ATOM 0 HB1 ALA A 135 11.700 10.002 -10.708 1.00 0.00 H new ATOM 0 HB2 ALA A 135 13.387 10.093 -10.150 1.00 0.00 H new ATOM 0 HB3 ALA A 135 12.372 8.707 -9.689 1.00 0.00 H new ATOM 1573 N ALA A 136 9.564 11.093 -8.185 1.00 0.00 N ATOM 1574 CA ALA A 136 8.198 10.883 -7.647 1.00 0.00 C ATOM 1575 C ALA A 136 7.226 10.271 -8.692 1.00 0.00 C ATOM 1576 O ALA A 136 7.077 10.765 -9.815 1.00 0.00 O ATOM 1577 CB ALA A 136 7.677 12.215 -7.085 1.00 0.00 C ATOM 0 H ALA A 136 9.738 12.043 -8.514 1.00 0.00 H new ATOM 0 HA ALA A 136 8.251 10.147 -6.844 1.00 0.00 H new ATOM 0 HB1 ALA A 136 6.673 12.074 -6.686 1.00 0.00 H new ATOM 0 HB2 ALA A 136 8.338 12.558 -6.289 1.00 0.00 H new ATOM 0 HB3 ALA A 136 7.650 12.960 -7.880 1.00 0.00 H new ATOM 1583 N LEU A 137 6.583 9.171 -8.273 1.00 0.00 N ATOM 1584 CA LEU A 137 5.700 8.337 -9.123 1.00 0.00 C ATOM 1585 C LEU A 137 4.219 8.657 -8.791 1.00 0.00 C ATOM 1586 O LEU A 137 3.812 8.638 -7.625 1.00 0.00 O ATOM 1587 CB LEU A 137 5.972 6.820 -8.894 1.00 0.00 C ATOM 1588 CG LEU A 137 7.443 6.338 -9.082 1.00 0.00 C ATOM 1589 CD1 LEU A 137 8.171 6.159 -7.734 1.00 0.00 C ATOM 1590 CD2 LEU A 137 7.549 5.049 -9.913 1.00 0.00 C ATOM 0 H LEU A 137 6.659 8.824 -7.317 1.00 0.00 H new ATOM 0 HA LEU A 137 5.907 8.566 -10.168 1.00 0.00 H new ATOM 0 HB2 LEU A 137 5.657 6.567 -7.882 1.00 0.00 H new ATOM 0 HB3 LEU A 137 5.338 6.253 -9.576 1.00 0.00 H new ATOM 0 HG LEU A 137 7.938 7.132 -9.641 1.00 0.00 H new ATOM 0 HD11 LEU A 137 9.192 5.822 -7.914 1.00 0.00 H new ATOM 0 HD12 LEU A 137 8.191 7.110 -7.202 1.00 0.00 H new ATOM 0 HD13 LEU A 137 7.645 5.418 -7.132 1.00 0.00 H new ATOM 0 HD21 LEU A 137 8.596 4.763 -10.009 1.00 0.00 H new ATOM 0 HD22 LEU A 137 6.999 4.250 -9.416 1.00 0.00 H new ATOM 0 HD23 LEU A 137 7.127 5.219 -10.903 1.00 0.00 H new ATOM 1602 N CYS A 138 3.424 8.926 -9.836 1.00 0.00 N ATOM 1603 CA CYS A 138 1.985 9.273 -9.698 1.00 0.00 C ATOM 1604 C CYS A 138 1.120 8.064 -10.138 1.00 0.00 C ATOM 1605 O CYS A 138 0.859 7.872 -11.329 1.00 0.00 O ATOM 1606 CB CYS A 138 1.700 10.555 -10.508 1.00 0.00 C ATOM 1607 SG CYS A 138 2.818 11.905 -9.993 1.00 0.00 S ATOM 0 H CYS A 138 3.750 8.912 -10.802 1.00 0.00 H new ATOM 0 HA CYS A 138 1.726 9.483 -8.660 1.00 0.00 H new ATOM 0 HB2 CYS A 138 1.829 10.355 -11.572 1.00 0.00 H new ATOM 0 HB3 CYS A 138 0.663 10.859 -10.364 1.00 0.00 H new ATOM 0 HG CYS A 138 2.448 13.015 -10.559 1.00 0.00 H new ATOM 1613 N LEU A 139 0.712 7.233 -9.160 1.00 0.00 N ATOM 1614 CA LEU A 139 0.056 5.922 -9.418 1.00 0.00 C ATOM 1615 C LEU A 139 -1.443 5.981 -9.029 1.00 0.00 C ATOM 1616 O LEU A 139 -1.766 6.245 -7.870 1.00 0.00 O ATOM 1617 CB LEU A 139 0.804 4.726 -8.748 1.00 0.00 C ATOM 1618 CG LEU A 139 1.074 4.729 -7.210 1.00 0.00 C ATOM 1619 CD1 LEU A 139 1.084 3.300 -6.634 1.00 0.00 C ATOM 1620 CD2 LEU A 139 2.402 5.426 -6.841 1.00 0.00 C ATOM 0 H LEU A 139 0.824 7.444 -8.168 1.00 0.00 H new ATOM 0 HA LEU A 139 0.116 5.730 -10.489 1.00 0.00 H new ATOM 0 HB2 LEU A 139 0.237 3.823 -8.975 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.769 4.630 -9.245 1.00 0.00 H new ATOM 0 HG LEU A 139 0.253 5.295 -6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.275 3.341 -5.562 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.117 2.829 -6.813 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.867 2.717 -7.120 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.539 5.399 -5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.231 4.909 -7.325 1.00 0.00 H new ATOM 0 HD23 LEU A 139 2.375 6.462 -7.177 1.00 0.00 H new ATOM 1632 N GLU A 140 -2.348 5.708 -9.993 1.00 0.00 N ATOM 1633 CA GLU A 140 -3.819 5.721 -9.753 1.00 0.00 C ATOM 1634 C GLU A 140 -4.293 4.426 -9.022 1.00 0.00 C ATOM 1635 O GLU A 140 -4.466 3.373 -9.642 1.00 0.00 O ATOM 1636 CB GLU A 140 -4.592 5.928 -11.087 1.00 0.00 C ATOM 1637 CG GLU A 140 -4.492 7.344 -11.709 1.00 0.00 C ATOM 1638 CD GLU A 140 -5.422 7.581 -12.888 1.00 0.00 C ATOM 1639 OE1 GLU A 140 -5.056 7.219 -14.025 1.00 0.00 O ATOM 1640 OE2 GLU A 140 -6.508 8.163 -12.679 1.00 0.00 O ATOM 0 H GLU A 140 -2.090 5.474 -10.952 1.00 0.00 H new ATOM 0 HA GLU A 140 -4.041 6.562 -9.097 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -4.224 5.205 -11.815 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -5.644 5.700 -10.915 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -4.709 8.082 -10.937 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -3.465 7.513 -12.033 1.00 0.00 H new ATOM 1647 N VAL A 141 -4.503 4.535 -7.696 1.00 0.00 N ATOM 1648 CA VAL A 141 -4.840 3.377 -6.817 1.00 0.00 C ATOM 1649 C VAL A 141 -6.394 3.254 -6.781 1.00 0.00 C ATOM 1650 O VAL A 141 -7.083 4.080 -6.174 1.00 0.00 O ATOM 1651 CB VAL A 141 -4.181 3.543 -5.402 1.00 0.00 C ATOM 1652 CG1 VAL A 141 -4.583 2.436 -4.401 1.00 0.00 C ATOM 1653 CG2 VAL A 141 -2.635 3.590 -5.454 1.00 0.00 C ATOM 0 H VAL A 141 -4.446 5.422 -7.196 1.00 0.00 H new ATOM 0 HA VAL A 141 -4.432 2.444 -7.207 1.00 0.00 H new ATOM 0 HB VAL A 141 -4.567 4.501 -5.054 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -4.091 2.614 -3.445 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -5.664 2.447 -4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -4.278 1.465 -4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -2.240 3.706 -4.445 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -2.257 2.664 -5.887 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -2.317 4.433 -6.067 1.00 0.00 H new ATOM 1663 N THR A 142 -6.910 2.200 -7.433 1.00 0.00 N ATOM 1664 CA THR A 142 -8.368 1.945 -7.570 1.00 0.00 C ATOM 1665 C THR A 142 -8.692 0.648 -6.778 1.00 0.00 C ATOM 1666 O THR A 142 -8.164 -0.426 -7.085 1.00 0.00 O ATOM 1667 CB THR A 142 -8.743 1.845 -9.082 1.00 0.00 C ATOM 1668 OG1 THR A 142 -8.375 3.042 -9.758 1.00 0.00 O ATOM 1669 CG2 THR A 142 -10.239 1.612 -9.355 1.00 0.00 C ATOM 0 H THR A 142 -6.331 1.492 -7.885 1.00 0.00 H new ATOM 0 HA THR A 142 -8.964 2.760 -7.159 1.00 0.00 H new ATOM 0 HB THR A 142 -8.197 0.975 -9.447 1.00 0.00 H new ATOM 0 HG1 THR A 142 -9.153 3.635 -9.819 1.00 0.00 H new ATOM 0 HG21 THR A 142 -10.408 1.556 -10.430 1.00 0.00 H new ATOM 0 HG22 THR A 142 -10.553 0.678 -8.889 1.00 0.00 H new ATOM 0 HG23 THR A 142 -10.817 2.437 -8.940 1.00 0.00 H new ATOM 1677 N LEU A 143 -9.603 0.754 -5.791 1.00 0.00 N ATOM 1678 CA LEU A 143 -10.093 -0.416 -5.013 1.00 0.00 C ATOM 1679 C LEU A 143 -11.204 -1.129 -5.841 1.00 0.00 C ATOM 1680 O LEU A 143 -12.345 -0.654 -5.894 1.00 0.00 O ATOM 1681 CB LEU A 143 -10.581 0.072 -3.610 1.00 0.00 C ATOM 1682 CG LEU A 143 -10.703 -0.962 -2.452 1.00 0.00 C ATOM 1683 CD1 LEU A 143 -11.594 -2.182 -2.759 1.00 0.00 C ATOM 1684 CD2 LEU A 143 -9.336 -1.437 -1.926 1.00 0.00 C ATOM 0 H LEU A 143 -10.020 1.640 -5.508 1.00 0.00 H new ATOM 0 HA LEU A 143 -9.302 -1.144 -4.835 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -9.901 0.857 -3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -11.559 0.533 -3.744 1.00 0.00 H new ATOM 0 HG LEU A 143 -11.208 -0.395 -1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -11.616 -2.844 -1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -12.606 -1.846 -2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -11.191 -2.720 -3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -9.486 -2.156 -1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -8.779 -1.909 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -8.774 -0.582 -1.549 1.00 0.00 H new ATOM 1696 N LYS A 144 -10.856 -2.258 -6.493 1.00 0.00 N ATOM 1697 CA LYS A 144 -11.814 -3.009 -7.358 1.00 0.00 C ATOM 1698 C LYS A 144 -12.730 -3.999 -6.571 1.00 0.00 C ATOM 1699 O LYS A 144 -13.956 -3.875 -6.657 1.00 0.00 O ATOM 1700 CB LYS A 144 -11.099 -3.710 -8.549 1.00 0.00 C ATOM 1701 CG LYS A 144 -10.296 -2.805 -9.524 1.00 0.00 C ATOM 1702 CD LYS A 144 -10.168 -3.378 -10.955 1.00 0.00 C ATOM 1703 CE LYS A 144 -9.394 -4.709 -11.044 1.00 0.00 C ATOM 1704 NZ LYS A 144 -9.594 -5.341 -12.376 1.00 0.00 N ATOM 0 H LYS A 144 -9.926 -2.675 -6.443 1.00 0.00 H new ATOM 0 HA LYS A 144 -12.482 -2.253 -7.771 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -10.418 -4.457 -8.142 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -11.852 -4.246 -9.127 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -10.778 -1.829 -9.577 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -9.297 -2.646 -9.117 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -11.167 -3.525 -11.364 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -9.671 -2.640 -11.585 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -8.332 -4.531 -10.876 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -9.732 -5.386 -10.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -9.066 -6.236 -12.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -10.606 -5.529 -12.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -9.250 -4.700 -13.119 1.00 0.00 H new ATOM 1718 N THR A 145 -12.141 -4.984 -5.859 1.00 0.00 N ATOM 1719 CA THR A 145 -12.898 -6.022 -5.100 1.00 0.00 C ATOM 1720 C THR A 145 -12.481 -5.986 -3.601 1.00 0.00 C ATOM 1721 O THR A 145 -11.330 -5.697 -3.258 1.00 0.00 O ATOM 1722 CB THR A 145 -12.704 -7.459 -5.681 1.00 0.00 C ATOM 1723 OG1 THR A 145 -11.344 -7.872 -5.605 1.00 0.00 O ATOM 1724 CG2 THR A 145 -13.199 -7.654 -7.123 1.00 0.00 C ATOM 0 H THR A 145 -11.129 -5.088 -5.790 1.00 0.00 H new ATOM 0 HA THR A 145 -13.957 -5.785 -5.197 1.00 0.00 H new ATOM 0 HB THR A 145 -13.334 -8.082 -5.046 1.00 0.00 H new ATOM 0 HG1 THR A 145 -11.255 -8.775 -5.975 1.00 0.00 H new ATOM 0 HG21 THR A 145 -13.019 -8.683 -7.433 1.00 0.00 H new ATOM 0 HG22 THR A 145 -14.267 -7.441 -7.173 1.00 0.00 H new ATOM 0 HG23 THR A 145 -12.662 -6.976 -7.787 1.00 0.00 H new ATOM 1732 N ALA A 146 -13.436 -6.345 -2.726 1.00 0.00 N ATOM 1733 CA ALA A 146 -13.169 -6.595 -1.288 1.00 0.00 C ATOM 1734 C ALA A 146 -13.872 -7.916 -0.890 1.00 0.00 C ATOM 1735 O ALA A 146 -15.103 -7.989 -0.808 1.00 0.00 O ATOM 1736 CB ALA A 146 -13.644 -5.400 -0.447 1.00 0.00 C ATOM 0 H ALA A 146 -14.413 -6.471 -2.989 1.00 0.00 H new ATOM 0 HA ALA A 146 -12.100 -6.700 -1.101 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -13.443 -5.594 0.607 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -13.111 -4.501 -0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -14.715 -5.256 -0.592 1.00 0.00 H new ATOM 1742 N VAL A 147 -13.057 -8.959 -0.672 1.00 0.00 N ATOM 1743 CA VAL A 147 -13.527 -10.341 -0.355 1.00 0.00 C ATOM 1744 C VAL A 147 -12.728 -10.915 0.866 1.00 0.00 C ATOM 1745 O VAL A 147 -11.720 -10.353 1.309 1.00 0.00 O ATOM 1746 CB VAL A 147 -13.488 -11.275 -1.624 1.00 0.00 C ATOM 1747 CG1 VAL A 147 -14.526 -10.885 -2.703 1.00 0.00 C ATOM 1748 CG2 VAL A 147 -12.095 -11.456 -2.275 1.00 0.00 C ATOM 0 H VAL A 147 -12.041 -8.879 -0.708 1.00 0.00 H new ATOM 0 HA VAL A 147 -14.576 -10.300 -0.060 1.00 0.00 H new ATOM 0 HB VAL A 147 -13.760 -12.245 -1.207 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -14.446 -11.568 -3.549 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -15.529 -10.946 -2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -14.335 -9.866 -3.040 1.00 0.00 H new ATOM 0 HG21 VAL A 147 -12.180 -12.116 -3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 147 -11.714 -10.486 -2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 147 -11.409 -11.894 -1.550 1.00 0.00 H new ATOM 1758 N ASP A 148 -13.175 -12.070 1.398 1.00 0.00 N ATOM 1759 CA ASP A 148 -12.409 -12.864 2.407 1.00 0.00 C ATOM 1760 C ASP A 148 -11.212 -13.696 1.798 1.00 0.00 C ATOM 1761 O ASP A 148 -10.715 -13.383 0.710 1.00 0.00 O ATOM 1762 CB ASP A 148 -13.461 -13.643 3.255 1.00 0.00 C ATOM 1763 CG ASP A 148 -14.215 -14.769 2.542 1.00 0.00 C ATOM 1764 OD1 ASP A 148 -15.227 -14.478 1.867 1.00 0.00 O ATOM 1765 OD2 ASP A 148 -13.787 -15.937 2.645 1.00 0.00 O ATOM 0 H ASP A 148 -14.072 -12.486 1.148 1.00 0.00 H new ATOM 0 HA ASP A 148 -11.848 -12.217 3.082 1.00 0.00 H new ATOM 0 HB2 ASP A 148 -12.954 -14.067 4.122 1.00 0.00 H new ATOM 0 HB3 ASP A 148 -14.192 -12.928 3.632 1.00 0.00 H new ATOM 1770 N GLY A 149 -10.713 -14.714 2.527 1.00 0.00 N ATOM 1771 CA GLY A 149 -9.610 -15.586 2.056 1.00 0.00 C ATOM 1772 C GLY A 149 -10.121 -16.841 1.294 1.00 0.00 C ATOM 1773 O GLY A 149 -10.702 -17.700 1.965 1.00 0.00 O ATOM 0 H GLY A 149 -11.059 -14.957 3.455 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -8.952 -15.012 1.403 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -9.013 -15.903 2.911 1.00 0.00 H new