USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 460 hydrogens (2 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 110 TYR OH : rot -163:sc= 1.3 USER MOD Set 1.2: A 121 HIS : no HE2:sc= 0.789 K(o=2.1,f=-1.7) USER MOD Single : A 92 LYS NZ :NH3+ 166:sc= 2.34 (180deg=2.15) USER MOD Single : A 96 THR OG1 : rot 170:sc= 0.147 USER MOD Single : A 97 LYS NZ :NH3+ -171:sc= -0.0645 (180deg=-0.165) USER MOD Single : A 101 GLN : amide:sc= -1.57! C(o=-1.6!,f=-2.6!) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ -169:sc= 1.28 (180deg=1.21) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0.0189 USER MOD Single : A 120 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0443) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 163:sc= 0.559 (180deg=0.295) USER MOD Single : A 129 GLN : amide:sc= -0.502 K(o=-0.5,f=-2.1!) USER MOD Single : A 130 CYS SG : rot 80:sc= 0.0103 USER MOD Single : A 135 HIS : no HE2:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 136 ASN : amide:sc= -0.0133 K(o=-0.013,f=-0.59) USER MOD Single : A 137 HIS :FLIP no HD1:sc= -0.103 F(o=-0.61,f=-0.1) USER MOD Single : A 139 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 90 9.477 0.098 -8.902 1.00 0.00 N ATOM 2 CA LEU A 90 9.454 -1.234 -9.538 1.00 0.00 C ATOM 3 C LEU A 90 10.777 -1.527 -10.244 1.00 0.00 C ATOM 4 O LEU A 90 11.227 -2.666 -10.240 1.00 0.00 O ATOM 5 CB LEU A 90 8.290 -1.340 -10.532 1.00 0.00 C ATOM 6 CG LEU A 90 7.028 -1.832 -9.810 1.00 0.00 C ATOM 7 CD1 LEU A 90 5.794 -1.477 -10.641 1.00 0.00 C ATOM 8 CD2 LEU A 90 7.095 -3.354 -9.625 1.00 0.00 C ATOM 0 HA LEU A 90 9.312 -1.976 -8.752 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.102 -0.369 -10.990 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.550 -2.027 -11.337 1.00 0.00 H new ATOM 0 HG LEU A 90 6.963 -1.352 -8.834 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.898 -1.826 -10.129 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.741 -0.396 -10.770 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.863 -1.956 -11.618 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.197 -3.698 -9.112 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.163 -3.836 -10.600 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.973 -3.610 -9.031 1.00 0.00 H new ATOM 22 N ILE A 91 11.397 -0.496 -10.848 1.00 0.00 N ATOM 23 CA ILE A 91 12.673 -0.648 -11.543 1.00 0.00 C ATOM 24 C ILE A 91 12.548 -1.715 -12.636 1.00 0.00 C ATOM 25 O ILE A 91 13.217 -2.742 -12.588 1.00 0.00 O ATOM 26 CB ILE A 91 13.774 -1.013 -10.522 1.00 0.00 C ATOM 27 CG1 ILE A 91 13.926 0.104 -9.468 1.00 0.00 C ATOM 28 CG2 ILE A 91 15.105 -1.231 -11.245 1.00 0.00 C ATOM 29 CD1 ILE A 91 14.263 1.446 -10.132 1.00 0.00 C ATOM 0 H ILE A 91 11.026 0.454 -10.864 1.00 0.00 H new ATOM 0 HA ILE A 91 12.948 0.291 -12.023 1.00 0.00 H new ATOM 0 HB ILE A 91 13.486 -1.934 -10.015 1.00 0.00 H new ATOM 0 HG12 ILE A 91 13.002 0.199 -8.898 1.00 0.00 H new ATOM 0 HG13 ILE A 91 14.711 -0.163 -8.761 1.00 0.00 H new ATOM 0 HG21 ILE A 91 15.876 -1.488 -10.518 1.00 0.00 H new ATOM 0 HG22 ILE A 91 14.999 -2.043 -11.965 1.00 0.00 H new ATOM 0 HG23 ILE A 91 15.389 -0.318 -11.768 1.00 0.00 H new ATOM 0 HD11 ILE A 91 14.365 2.215 -9.367 1.00 0.00 H new ATOM 0 HD12 ILE A 91 15.200 1.355 -10.681 1.00 0.00 H new ATOM 0 HD13 ILE A 91 13.464 1.722 -10.820 1.00 0.00 H new ATOM 41 N LYS A 92 11.678 -1.462 -13.624 1.00 0.00 N ATOM 42 CA LYS A 92 11.450 -2.397 -14.726 1.00 0.00 C ATOM 43 C LYS A 92 11.106 -3.789 -14.176 1.00 0.00 C ATOM 44 O LYS A 92 11.326 -4.801 -14.836 1.00 0.00 O ATOM 45 CB LYS A 92 12.694 -2.434 -15.623 1.00 0.00 C ATOM 46 CG LYS A 92 12.376 -3.150 -16.945 1.00 0.00 C ATOM 47 CD LYS A 92 13.361 -2.707 -18.036 1.00 0.00 C ATOM 48 CE LYS A 92 14.780 -3.125 -17.646 1.00 0.00 C ATOM 49 NZ LYS A 92 15.763 -2.734 -18.670 1.00 0.00 N ATOM 0 H LYS A 92 11.119 -0.611 -13.679 1.00 0.00 H new ATOM 0 HA LYS A 92 10.603 -2.065 -15.326 1.00 0.00 H new ATOM 0 HB2 LYS A 92 13.036 -1.419 -15.824 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.506 -2.948 -15.109 1.00 0.00 H new ATOM 0 HG2 LYS A 92 12.436 -4.229 -16.806 1.00 0.00 H new ATOM 0 HG3 LYS A 92 11.355 -2.925 -17.253 1.00 0.00 H new ATOM 0 HD2 LYS A 92 13.088 -3.156 -18.991 1.00 0.00 H new ATOM 0 HD3 LYS A 92 13.312 -1.626 -18.167 1.00 0.00 H new ATOM 0 HE2 LYS A 92 15.045 -2.667 -16.693 1.00 0.00 H new ATOM 0 HE3 LYS A 92 14.815 -4.205 -17.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 16.723 -2.814 -18.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 15.673 -3.361 -19.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 15.589 -1.751 -18.961 1.00 0.00 H new ATOM 63 N GLY A 93 10.559 -3.827 -12.961 1.00 0.00 N ATOM 64 CA GLY A 93 10.164 -5.067 -12.331 1.00 0.00 C ATOM 65 C GLY A 93 11.364 -5.776 -11.700 1.00 0.00 C ATOM 66 O GLY A 93 12.401 -5.160 -11.461 1.00 0.00 O ATOM 0 H GLY A 93 10.382 -2.997 -12.395 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.414 -4.866 -11.566 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.699 -5.721 -13.069 1.00 0.00 H new ATOM 70 N PRO A 94 11.212 -7.083 -11.416 1.00 0.00 N ATOM 71 CA PRO A 94 12.237 -7.868 -10.767 1.00 0.00 C ATOM 72 C PRO A 94 13.500 -7.945 -11.601 1.00 0.00 C ATOM 73 O PRO A 94 14.545 -7.435 -11.204 1.00 0.00 O ATOM 74 CB PRO A 94 11.622 -9.254 -10.531 1.00 0.00 C ATOM 75 CG PRO A 94 10.224 -9.235 -11.161 1.00 0.00 C ATOM 76 CD PRO A 94 10.005 -7.827 -11.713 1.00 0.00 C ATOM 0 HA PRO A 94 12.545 -7.411 -9.826 1.00 0.00 H new ATOM 0 HB2 PRO A 94 12.238 -10.032 -10.982 1.00 0.00 H new ATOM 0 HB3 PRO A 94 11.562 -9.473 -9.465 1.00 0.00 H new ATOM 0 HG2 PRO A 94 10.148 -9.977 -11.956 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.463 -9.482 -10.420 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.819 -7.855 -12.787 1.00 0.00 H new ATOM 0 HD3 PRO A 94 9.136 -7.359 -11.251 1.00 0.00 H new ATOM 84 N TRP A 95 13.393 -8.598 -12.738 1.00 0.00 N ATOM 85 CA TRP A 95 14.528 -8.832 -13.619 1.00 0.00 C ATOM 86 C TRP A 95 14.064 -9.071 -15.050 1.00 0.00 C ATOM 87 O TRP A 95 12.920 -9.461 -15.281 1.00 0.00 O ATOM 88 CB TRP A 95 15.320 -10.041 -13.104 1.00 0.00 C ATOM 89 CG TRP A 95 16.324 -9.699 -12.055 1.00 0.00 C ATOM 90 CD1 TRP A 95 16.129 -9.747 -10.726 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.684 -9.223 -12.230 1.00 0.00 C ATOM 92 NE1 TRP A 95 17.247 -9.321 -10.051 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.249 -8.974 -10.940 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.504 -8.965 -13.350 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.544 -8.480 -10.775 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.810 -8.473 -13.189 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.327 -8.222 -11.904 1.00 0.00 C ATOM 0 H TRP A 95 12.515 -8.985 -13.083 1.00 0.00 H new ATOM 0 HA TRP A 95 15.168 -7.949 -13.621 1.00 0.00 H new ATOM 0 HB2 TRP A 95 14.623 -10.776 -12.701 1.00 0.00 H new ATOM 0 HB3 TRP A 95 15.831 -10.513 -13.943 1.00 0.00 H new ATOM 0 HD1 TRP A 95 15.216 -10.076 -10.252 1.00 0.00 H new ATOM 0 HE1 TRP A 95 17.327 -9.268 -9.036 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.122 -9.148 -14.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.937 -8.299 -9.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.423 -8.286 -14.059 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.327 -7.831 -11.790 1.00 0.00 H new ATOM 108 N THR A 96 14.974 -8.830 -16.007 1.00 0.00 N ATOM 109 CA THR A 96 14.698 -9.006 -17.425 1.00 0.00 C ATOM 110 C THR A 96 15.940 -9.562 -18.112 1.00 0.00 C ATOM 111 O THR A 96 17.052 -9.368 -17.626 1.00 0.00 O ATOM 112 CB THR A 96 14.314 -7.658 -18.052 1.00 0.00 C ATOM 113 OG1 THR A 96 15.446 -6.812 -18.095 1.00 0.00 O ATOM 114 CG2 THR A 96 13.216 -6.985 -17.231 1.00 0.00 C ATOM 0 H THR A 96 15.921 -8.507 -15.810 1.00 0.00 H new ATOM 0 HA THR A 96 13.869 -9.703 -17.552 1.00 0.00 H new ATOM 0 HB THR A 96 13.948 -7.836 -19.063 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.243 -6.021 -18.636 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.954 -6.030 -17.687 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.336 -7.628 -17.204 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.573 -6.816 -16.215 1.00 0.00 H new ATOM 122 N LYS A 97 15.751 -10.243 -19.250 1.00 0.00 N ATOM 123 CA LYS A 97 16.862 -10.797 -20.015 1.00 0.00 C ATOM 124 C LYS A 97 17.857 -9.684 -20.359 1.00 0.00 C ATOM 125 O LYS A 97 19.064 -9.916 -20.396 1.00 0.00 O ATOM 126 CB LYS A 97 16.319 -11.456 -21.287 1.00 0.00 C ATOM 127 CG LYS A 97 17.426 -12.274 -21.965 1.00 0.00 C ATOM 128 CD LYS A 97 16.897 -12.898 -23.265 1.00 0.00 C ATOM 129 CE LYS A 97 17.379 -12.090 -24.478 1.00 0.00 C ATOM 130 NZ LYS A 97 16.858 -10.710 -24.449 1.00 0.00 N ATOM 0 H LYS A 97 14.833 -10.421 -19.658 1.00 0.00 H new ATOM 0 HA LYS A 97 17.382 -11.551 -19.424 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.476 -12.102 -21.041 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.947 -10.694 -21.972 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.282 -11.634 -22.181 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.775 -13.057 -21.292 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.240 -13.929 -23.347 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.807 -12.925 -23.247 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.469 -12.069 -24.493 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.057 -12.582 -25.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.073 -10.239 -25.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.828 -10.731 -24.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.305 -10.186 -23.670 1.00 0.00 H new ATOM 144 N GLU A 98 17.338 -8.475 -20.605 1.00 0.00 N ATOM 145 CA GLU A 98 18.161 -7.323 -20.928 1.00 0.00 C ATOM 146 C GLU A 98 19.129 -7.045 -19.779 1.00 0.00 C ATOM 147 O GLU A 98 20.331 -6.916 -19.993 1.00 0.00 O ATOM 148 CB GLU A 98 17.251 -6.113 -21.167 1.00 0.00 C ATOM 149 CG GLU A 98 18.067 -4.940 -21.724 1.00 0.00 C ATOM 150 CD GLU A 98 17.395 -3.607 -21.418 1.00 0.00 C ATOM 151 OE1 GLU A 98 16.167 -3.624 -21.171 1.00 0.00 O ATOM 152 OE2 GLU A 98 18.123 -2.591 -21.429 1.00 0.00 O ATOM 0 H GLU A 98 16.338 -8.277 -20.584 1.00 0.00 H new ATOM 0 HA GLU A 98 18.741 -7.519 -21.830 1.00 0.00 H new ATOM 0 HB2 GLU A 98 16.457 -6.378 -21.866 1.00 0.00 H new ATOM 0 HB3 GLU A 98 16.770 -5.820 -20.234 1.00 0.00 H new ATOM 0 HG2 GLU A 98 19.068 -4.953 -21.293 1.00 0.00 H new ATOM 0 HG3 GLU A 98 18.182 -5.053 -22.802 1.00 0.00 H new ATOM 159 N GLU A 99 18.595 -6.949 -18.558 1.00 0.00 N ATOM 160 CA GLU A 99 19.403 -6.666 -17.384 1.00 0.00 C ATOM 161 C GLU A 99 20.375 -7.819 -17.142 1.00 0.00 C ATOM 162 O GLU A 99 21.549 -7.596 -16.859 1.00 0.00 O ATOM 163 CB GLU A 99 18.486 -6.485 -16.165 1.00 0.00 C ATOM 164 CG GLU A 99 18.624 -5.072 -15.587 1.00 0.00 C ATOM 165 CD GLU A 99 17.464 -4.202 -16.039 1.00 0.00 C ATOM 166 OE1 GLU A 99 16.339 -4.476 -15.562 1.00 0.00 O ATOM 167 OE2 GLU A 99 17.717 -3.284 -16.854 1.00 0.00 O ATOM 0 H GLU A 99 17.600 -7.065 -18.364 1.00 0.00 H new ATOM 0 HA GLU A 99 19.972 -5.750 -17.543 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.450 -6.666 -16.453 1.00 0.00 H new ATOM 0 HB3 GLU A 99 18.738 -7.221 -15.402 1.00 0.00 H new ATOM 0 HG2 GLU A 99 18.650 -5.118 -14.498 1.00 0.00 H new ATOM 0 HG3 GLU A 99 19.566 -4.630 -15.910 1.00 0.00 H new ATOM 174 N ASP A 100 19.875 -9.054 -17.250 1.00 0.00 N ATOM 175 CA ASP A 100 20.688 -10.239 -17.039 1.00 0.00 C ATOM 176 C ASP A 100 21.885 -10.236 -17.989 1.00 0.00 C ATOM 177 O ASP A 100 22.968 -10.653 -17.601 1.00 0.00 O ATOM 178 CB ASP A 100 19.828 -11.490 -17.231 1.00 0.00 C ATOM 179 CG ASP A 100 19.068 -11.812 -15.959 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.710 -12.342 -15.031 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.855 -11.521 -15.931 1.00 0.00 O ATOM 0 H ASP A 100 18.902 -9.252 -17.485 1.00 0.00 H new ATOM 0 HA ASP A 100 21.075 -10.239 -16.020 1.00 0.00 H new ATOM 0 HB2 ASP A 100 19.127 -11.334 -18.051 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.460 -12.334 -17.508 1.00 0.00 H new ATOM 186 N GLN A 101 21.699 -9.755 -19.228 1.00 0.00 N ATOM 187 CA GLN A 101 22.796 -9.671 -20.186 1.00 0.00 C ATOM 188 C GLN A 101 23.927 -8.834 -19.588 1.00 0.00 C ATOM 189 O GLN A 101 25.096 -9.214 -19.676 1.00 0.00 O ATOM 190 CB GLN A 101 22.294 -9.058 -21.503 1.00 0.00 C ATOM 191 CG GLN A 101 23.383 -9.152 -22.588 1.00 0.00 C ATOM 192 CD GLN A 101 24.467 -8.086 -22.402 1.00 0.00 C ATOM 193 OE1 GLN A 101 24.166 -6.939 -22.080 1.00 0.00 O ATOM 194 NE2 GLN A 101 25.730 -8.469 -22.607 1.00 0.00 N ATOM 0 H GLN A 101 20.802 -9.422 -19.582 1.00 0.00 H new ATOM 0 HA GLN A 101 23.177 -10.670 -20.401 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.395 -9.578 -21.835 1.00 0.00 H new ATOM 0 HB3 GLN A 101 22.018 -8.015 -21.345 1.00 0.00 H new ATOM 0 HG2 GLN A 101 23.839 -10.142 -22.561 1.00 0.00 H new ATOM 0 HG3 GLN A 101 22.927 -9.038 -23.571 1.00 0.00 H new ATOM 0 HE21 GLN A 101 25.934 -9.432 -22.873 1.00 0.00 H new ATOM 0 HE22 GLN A 101 26.491 -7.798 -22.497 1.00 0.00 H new ATOM 203 N ARG A 102 23.576 -7.694 -18.976 1.00 0.00 N ATOM 204 CA ARG A 102 24.561 -6.811 -18.371 1.00 0.00 C ATOM 205 C ARG A 102 25.343 -7.579 -17.308 1.00 0.00 C ATOM 206 O ARG A 102 26.567 -7.577 -17.320 1.00 0.00 O ATOM 207 CB ARG A 102 23.873 -5.595 -17.737 1.00 0.00 C ATOM 208 CG ARG A 102 22.978 -4.874 -18.752 1.00 0.00 C ATOM 209 CD ARG A 102 22.289 -3.698 -18.056 1.00 0.00 C ATOM 210 NE ARG A 102 21.182 -3.166 -18.861 1.00 0.00 N ATOM 211 CZ ARG A 102 20.310 -2.257 -18.386 1.00 0.00 C ATOM 212 NH1 ARG A 102 20.445 -1.785 -17.138 1.00 0.00 N ATOM 213 NH2 ARG A 102 19.308 -1.819 -19.155 1.00 0.00 N ATOM 0 H ARG A 102 22.613 -7.369 -18.891 1.00 0.00 H new ATOM 0 HA ARG A 102 25.244 -6.457 -19.143 1.00 0.00 H new ATOM 0 HB2 ARG A 102 23.275 -5.916 -16.884 1.00 0.00 H new ATOM 0 HB3 ARG A 102 24.626 -4.905 -17.357 1.00 0.00 H new ATOM 0 HG2 ARG A 102 23.573 -4.518 -19.594 1.00 0.00 H new ATOM 0 HG3 ARG A 102 22.235 -5.562 -19.155 1.00 0.00 H new ATOM 0 HD2 ARG A 102 21.912 -4.019 -17.085 1.00 0.00 H new ATOM 0 HD3 ARG A 102 23.016 -2.908 -17.870 1.00 0.00 H new ATOM 0 HE ARG A 102 21.069 -3.499 -19.819 1.00 0.00 H new ATOM 0 HH11 ARG A 102 21.209 -2.115 -16.548 1.00 0.00 H new ATOM 0 HH12 ARG A 102 19.784 -1.096 -16.779 1.00 0.00 H new ATOM 0 HH21 ARG A 102 19.202 -2.174 -20.105 1.00 0.00 H new ATOM 0 HH22 ARG A 102 18.649 -1.130 -18.791 1.00 0.00 H new ATOM 227 N VAL A 103 24.626 -8.235 -16.387 1.00 0.00 N ATOM 228 CA VAL A 103 25.252 -8.991 -15.309 1.00 0.00 C ATOM 229 C VAL A 103 26.176 -10.065 -15.887 1.00 0.00 C ATOM 230 O VAL A 103 27.326 -10.172 -15.476 1.00 0.00 O ATOM 231 CB VAL A 103 24.164 -9.617 -14.422 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.812 -10.483 -13.337 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.349 -8.514 -13.753 1.00 0.00 C ATOM 0 H VAL A 103 23.606 -8.254 -16.372 1.00 0.00 H new ATOM 0 HA VAL A 103 25.856 -8.322 -14.697 1.00 0.00 H new ATOM 0 HB VAL A 103 23.513 -10.233 -15.043 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.036 -10.924 -12.712 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.395 -11.276 -13.805 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.467 -9.866 -12.722 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.578 -8.961 -13.125 1.00 0.00 H new ATOM 0 HG22 VAL A 103 24.006 -7.898 -13.139 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.880 -7.894 -14.517 1.00 0.00 H new ATOM 243 N ILE A 104 25.668 -10.856 -16.838 1.00 0.00 N ATOM 244 CA ILE A 104 26.439 -11.919 -17.472 1.00 0.00 C ATOM 245 C ILE A 104 27.782 -11.372 -17.957 1.00 0.00 C ATOM 246 O ILE A 104 28.837 -11.917 -17.626 1.00 0.00 O ATOM 247 CB ILE A 104 25.621 -12.501 -18.643 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.529 -13.433 -18.095 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.542 -13.278 -19.596 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.518 -13.778 -19.193 1.00 0.00 C ATOM 0 H ILE A 104 24.713 -10.774 -17.186 1.00 0.00 H new ATOM 0 HA ILE A 104 26.641 -12.713 -16.754 1.00 0.00 H new ATOM 0 HB ILE A 104 25.155 -11.684 -19.194 1.00 0.00 H new ATOM 0 HG12 ILE A 104 24.982 -14.346 -17.709 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.018 -12.953 -17.260 1.00 0.00 H new ATOM 0 HG21 ILE A 104 25.954 -13.685 -20.419 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.305 -12.608 -19.992 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.021 -14.094 -19.055 1.00 0.00 H new ATOM 0 HD11 ILE A 104 22.752 -14.439 -18.788 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.052 -12.863 -19.559 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.030 -14.278 -20.015 1.00 0.00 H new ATOM 262 N GLU A 105 27.735 -10.296 -18.743 1.00 0.00 N ATOM 263 CA GLU A 105 28.930 -9.689 -19.296 1.00 0.00 C ATOM 264 C GLU A 105 29.846 -9.186 -18.178 1.00 0.00 C ATOM 265 O GLU A 105 31.030 -9.509 -18.154 1.00 0.00 O ATOM 266 CB GLU A 105 28.510 -8.537 -20.213 1.00 0.00 C ATOM 267 CG GLU A 105 29.724 -7.996 -20.972 1.00 0.00 C ATOM 268 CD GLU A 105 29.355 -6.739 -21.747 1.00 0.00 C ATOM 269 OE1 GLU A 105 28.279 -6.763 -22.387 1.00 0.00 O ATOM 270 OE2 GLU A 105 30.157 -5.777 -21.684 1.00 0.00 O ATOM 0 H GLU A 105 26.869 -9.828 -19.009 1.00 0.00 H new ATOM 0 HA GLU A 105 29.489 -10.429 -19.869 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.754 -8.882 -20.919 1.00 0.00 H new ATOM 0 HB3 GLU A 105 28.056 -7.740 -19.624 1.00 0.00 H new ATOM 0 HG2 GLU A 105 30.529 -7.774 -20.271 1.00 0.00 H new ATOM 0 HG3 GLU A 105 30.099 -8.756 -21.658 1.00 0.00 H new ATOM 277 N LEU A 106 29.294 -8.385 -17.263 1.00 0.00 N ATOM 278 CA LEU A 106 30.064 -7.779 -16.184 1.00 0.00 C ATOM 279 C LEU A 106 30.726 -8.838 -15.296 1.00 0.00 C ATOM 280 O LEU A 106 31.819 -8.602 -14.789 1.00 0.00 O ATOM 281 CB LEU A 106 29.150 -6.872 -15.355 1.00 0.00 C ATOM 282 CG LEU A 106 28.723 -5.646 -16.181 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.615 -4.898 -15.437 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.919 -4.710 -16.393 1.00 0.00 C ATOM 0 H LEU A 106 28.304 -8.141 -17.253 1.00 0.00 H new ATOM 0 HA LEU A 106 30.865 -7.184 -16.624 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.269 -7.428 -15.034 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.669 -6.548 -14.453 1.00 0.00 H new ATOM 0 HG LEU A 106 28.357 -5.978 -17.153 1.00 0.00 H new ATOM 0 HD11 LEU A 106 27.309 -4.028 -16.019 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.760 -5.560 -15.297 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.985 -4.572 -14.465 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.605 -3.846 -16.979 1.00 0.00 H new ATOM 0 HD22 LEU A 106 30.295 -4.376 -15.426 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.708 -5.242 -16.925 1.00 0.00 H new ATOM 296 N VAL A 107 30.085 -9.999 -15.100 1.00 0.00 N ATOM 297 CA VAL A 107 30.662 -11.049 -14.280 1.00 0.00 C ATOM 298 C VAL A 107 31.847 -11.660 -15.019 1.00 0.00 C ATOM 299 O VAL A 107 32.900 -11.871 -14.432 1.00 0.00 O ATOM 300 CB VAL A 107 29.596 -12.104 -13.958 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.272 -13.380 -13.453 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.658 -11.566 -12.872 1.00 0.00 C ATOM 0 H VAL A 107 29.174 -10.224 -15.499 1.00 0.00 H new ATOM 0 HA VAL A 107 31.017 -10.638 -13.335 1.00 0.00 H new ATOM 0 HB VAL A 107 29.025 -12.327 -14.860 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.513 -14.128 -13.225 1.00 0.00 H new ATOM 0 HG12 VAL A 107 30.942 -13.766 -14.222 1.00 0.00 H new ATOM 0 HG13 VAL A 107 30.844 -13.157 -12.552 1.00 0.00 H new ATOM 0 HG21 VAL A 107 27.900 -12.315 -12.642 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.232 -11.343 -11.973 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.174 -10.657 -13.227 1.00 0.00 H new ATOM 312 N GLN A 108 31.677 -11.934 -16.314 1.00 0.00 N ATOM 313 CA GLN A 108 32.751 -12.482 -17.125 1.00 0.00 C ATOM 314 C GLN A 108 33.906 -11.474 -17.195 1.00 0.00 C ATOM 315 O GLN A 108 35.067 -11.862 -17.299 1.00 0.00 O ATOM 316 CB GLN A 108 32.207 -12.798 -18.523 1.00 0.00 C ATOM 317 CG GLN A 108 33.275 -13.516 -19.353 1.00 0.00 C ATOM 318 CD GLN A 108 32.695 -14.016 -20.672 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.758 -15.205 -20.969 1.00 0.00 O ATOM 320 NE2 GLN A 108 32.130 -13.104 -21.463 1.00 0.00 N ATOM 0 H GLN A 108 30.803 -11.783 -16.818 1.00 0.00 H new ATOM 0 HA GLN A 108 33.130 -13.402 -16.681 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.317 -13.422 -18.443 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.906 -11.877 -19.022 1.00 0.00 H new ATOM 0 HG2 GLN A 108 34.105 -12.837 -19.550 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.678 -14.356 -18.787 1.00 0.00 H new ATOM 0 HE21 GLN A 108 32.101 -12.126 -21.174 1.00 0.00 H new ATOM 0 HE22 GLN A 108 31.727 -13.384 -22.357 1.00 0.00 H new ATOM 329 N LYS A 109 33.571 -10.177 -17.139 1.00 0.00 N ATOM 330 CA LYS A 109 34.554 -9.107 -17.207 1.00 0.00 C ATOM 331 C LYS A 109 35.343 -9.014 -15.895 1.00 0.00 C ATOM 332 O LYS A 109 36.572 -9.013 -15.915 1.00 0.00 O ATOM 333 CB LYS A 109 33.820 -7.792 -17.507 1.00 0.00 C ATOM 334 CG LYS A 109 34.746 -6.823 -18.249 1.00 0.00 C ATOM 335 CD LYS A 109 33.969 -5.559 -18.656 1.00 0.00 C ATOM 336 CE LYS A 109 32.799 -5.931 -19.582 1.00 0.00 C ATOM 337 NZ LYS A 109 32.300 -4.756 -20.318 1.00 0.00 N ATOM 0 H LYS A 109 32.610 -9.849 -17.045 1.00 0.00 H new ATOM 0 HA LYS A 109 35.272 -9.311 -18.001 1.00 0.00 H new ATOM 0 HB2 LYS A 109 32.934 -7.992 -18.109 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.478 -7.338 -16.577 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.588 -6.553 -17.612 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.158 -7.307 -19.134 1.00 0.00 H new ATOM 0 HD2 LYS A 109 33.592 -5.053 -17.767 1.00 0.00 H new ATOM 0 HD3 LYS A 109 34.635 -4.861 -19.162 1.00 0.00 H new ATOM 0 HE2 LYS A 109 33.122 -6.695 -20.289 1.00 0.00 H new ATOM 0 HE3 LYS A 109 31.990 -6.363 -18.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 31.403 -4.995 -20.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 32.145 -3.971 -19.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 32.999 -4.472 -21.033 1.00 0.00 H new ATOM 351 N TYR A 110 34.634 -8.928 -14.757 1.00 0.00 N ATOM 352 CA TYR A 110 35.270 -8.813 -13.447 1.00 0.00 C ATOM 353 C TYR A 110 35.364 -10.192 -12.786 1.00 0.00 C ATOM 354 O TYR A 110 36.449 -10.762 -12.689 1.00 0.00 O ATOM 355 CB TYR A 110 34.466 -7.846 -12.564 1.00 0.00 C ATOM 356 CG TYR A 110 34.210 -6.489 -13.194 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.226 -5.821 -13.906 1.00 0.00 C ATOM 358 CD2 TYR A 110 32.948 -5.888 -13.051 1.00 0.00 C ATOM 359 CE1 TYR A 110 34.973 -4.559 -14.472 1.00 0.00 C ATOM 360 CE2 TYR A 110 32.699 -4.630 -13.614 1.00 0.00 C ATOM 361 CZ TYR A 110 33.710 -3.963 -14.323 1.00 0.00 C ATOM 362 OH TYR A 110 33.465 -2.736 -14.865 1.00 0.00 O ATOM 0 H TYR A 110 33.615 -8.937 -14.725 1.00 0.00 H new ATOM 0 HA TYR A 110 36.279 -8.420 -13.570 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.509 -8.306 -12.320 1.00 0.00 H new ATOM 0 HB3 TYR A 110 34.999 -7.702 -11.624 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.198 -6.278 -14.017 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.168 -6.398 -12.505 1.00 0.00 H new ATOM 0 HE1 TYR A 110 35.750 -4.048 -15.021 1.00 0.00 H new ATOM 0 HE2 TYR A 110 31.727 -4.172 -13.502 1.00 0.00 H new ATOM 0 HH TYR A 110 32.663 -2.351 -14.454 1.00 0.00 H new ATOM 372 N GLY A 111 34.222 -10.716 -12.325 1.00 0.00 N ATOM 373 CA GLY A 111 34.160 -12.010 -11.663 1.00 0.00 C ATOM 374 C GLY A 111 32.864 -12.104 -10.856 1.00 0.00 C ATOM 375 O GLY A 111 32.085 -11.151 -10.832 1.00 0.00 O ATOM 0 H GLY A 111 33.319 -10.249 -12.404 1.00 0.00 H new ATOM 0 HA2 GLY A 111 34.201 -12.811 -12.401 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.021 -12.137 -11.006 1.00 0.00 H new ATOM 379 N PRO A 112 32.630 -13.249 -10.183 1.00 0.00 N ATOM 380 CA PRO A 112 31.445 -13.465 -9.361 1.00 0.00 C ATOM 381 C PRO A 112 31.524 -12.671 -8.040 1.00 0.00 C ATOM 382 O PRO A 112 30.994 -13.109 -7.019 1.00 0.00 O ATOM 383 CB PRO A 112 31.418 -14.978 -9.099 1.00 0.00 C ATOM 384 CG PRO A 112 32.799 -15.518 -9.493 1.00 0.00 C ATOM 385 CD PRO A 112 33.525 -14.385 -10.222 1.00 0.00 C ATOM 0 HA PRO A 112 30.538 -13.119 -9.857 1.00 0.00 H new ATOM 0 HB2 PRO A 112 31.206 -15.185 -8.050 1.00 0.00 H new ATOM 0 HB3 PRO A 112 30.633 -15.458 -9.684 1.00 0.00 H new ATOM 0 HG2 PRO A 112 33.358 -15.831 -8.611 1.00 0.00 H new ATOM 0 HG3 PRO A 112 32.703 -16.393 -10.136 1.00 0.00 H new ATOM 0 HD2 PRO A 112 34.473 -14.152 -9.736 1.00 0.00 H new ATOM 0 HD3 PRO A 112 33.754 -14.666 -11.250 1.00 0.00 H new ATOM 393 N LYS A 113 32.187 -11.507 -8.061 1.00 0.00 N ATOM 394 CA LYS A 113 32.348 -10.668 -6.884 1.00 0.00 C ATOM 395 C LYS A 113 32.269 -9.204 -7.313 1.00 0.00 C ATOM 396 O LYS A 113 31.858 -8.911 -8.435 1.00 0.00 O ATOM 397 CB LYS A 113 33.701 -10.974 -6.217 1.00 0.00 C ATOM 398 CG LYS A 113 33.766 -12.448 -5.803 1.00 0.00 C ATOM 399 CD LYS A 113 35.022 -12.692 -4.963 1.00 0.00 C ATOM 400 CE LYS A 113 35.089 -14.167 -4.556 1.00 0.00 C ATOM 401 NZ LYS A 113 36.288 -14.440 -3.742 1.00 0.00 N ATOM 0 H LYS A 113 32.625 -11.127 -8.900 1.00 0.00 H new ATOM 0 HA LYS A 113 31.558 -10.869 -6.160 1.00 0.00 H new ATOM 0 HB2 LYS A 113 34.514 -10.746 -6.906 1.00 0.00 H new ATOM 0 HB3 LYS A 113 33.836 -10.337 -5.343 1.00 0.00 H new ATOM 0 HG2 LYS A 113 32.877 -12.715 -5.232 1.00 0.00 H new ATOM 0 HG3 LYS A 113 33.779 -13.084 -6.688 1.00 0.00 H new ATOM 0 HD2 LYS A 113 35.911 -12.421 -5.532 1.00 0.00 H new ATOM 0 HD3 LYS A 113 35.007 -12.060 -4.075 1.00 0.00 H new ATOM 0 HE2 LYS A 113 34.195 -14.433 -3.992 1.00 0.00 H new ATOM 0 HE3 LYS A 113 35.101 -14.793 -5.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 36.308 -15.446 -3.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 37.140 -14.208 -4.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 36.262 -13.859 -2.880 1.00 0.00 H new ATOM 415 N ARG A 114 32.665 -8.285 -6.419 1.00 0.00 N ATOM 416 CA ARG A 114 32.642 -6.855 -6.705 1.00 0.00 C ATOM 417 C ARG A 114 31.233 -6.442 -7.137 1.00 0.00 C ATOM 418 O ARG A 114 31.061 -5.746 -8.138 1.00 0.00 O ATOM 419 CB ARG A 114 33.673 -6.520 -7.796 1.00 0.00 C ATOM 420 CG ARG A 114 35.065 -7.002 -7.376 1.00 0.00 C ATOM 421 CD ARG A 114 36.065 -6.697 -8.493 1.00 0.00 C ATOM 422 NE ARG A 114 37.406 -7.183 -8.145 1.00 0.00 N ATOM 423 CZ ARG A 114 38.417 -7.247 -9.030 1.00 0.00 C ATOM 424 NH1 ARG A 114 38.236 -6.830 -10.292 1.00 0.00 N ATOM 425 NH2 ARG A 114 39.608 -7.727 -8.650 1.00 0.00 N ATOM 0 H ARG A 114 33.007 -8.517 -5.486 1.00 0.00 H new ATOM 0 HA ARG A 114 32.907 -6.298 -5.806 1.00 0.00 H new ATOM 0 HB2 ARG A 114 33.385 -6.992 -8.735 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.691 -5.444 -7.972 1.00 0.00 H new ATOM 0 HG2 ARG A 114 35.371 -6.508 -6.454 1.00 0.00 H new ATOM 0 HG3 ARG A 114 35.045 -8.073 -7.172 1.00 0.00 H new ATOM 0 HD2 ARG A 114 35.734 -7.165 -9.420 1.00 0.00 H new ATOM 0 HD3 ARG A 114 36.099 -5.622 -8.672 1.00 0.00 H new ATOM 0 HE ARG A 114 37.579 -7.486 -7.187 1.00 0.00 H new ATOM 0 HH11 ARG A 114 37.330 -6.463 -10.583 1.00 0.00 H new ATOM 0 HH12 ARG A 114 39.005 -6.880 -10.961 1.00 0.00 H new ATOM 0 HH21 ARG A 114 39.748 -8.044 -7.690 1.00 0.00 H new ATOM 0 HH22 ARG A 114 40.375 -7.776 -9.320 1.00 0.00 H new ATOM 439 N TRP A 115 30.225 -6.878 -6.375 1.00 0.00 N ATOM 440 CA TRP A 115 28.838 -6.569 -6.679 1.00 0.00 C ATOM 441 C TRP A 115 28.594 -5.066 -6.577 1.00 0.00 C ATOM 442 O TRP A 115 27.662 -4.553 -7.184 1.00 0.00 O ATOM 443 CB TRP A 115 27.931 -7.371 -5.747 1.00 0.00 C ATOM 444 CG TRP A 115 28.052 -8.845 -5.961 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.528 -9.737 -5.077 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.737 -9.617 -7.156 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.556 -11.000 -5.618 1.00 0.00 N ATOM 448 CE2 TRP A 115 28.076 -10.985 -6.916 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.208 -9.304 -8.430 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.910 -11.978 -7.885 1.00 0.00 C ATOM 451 CZ3 TRP A 115 27.033 -10.305 -9.407 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.390 -11.634 -9.137 1.00 0.00 C ATOM 0 H TRP A 115 30.353 -7.449 -5.540 1.00 0.00 H new ATOM 0 HA TRP A 115 28.605 -6.855 -7.705 1.00 0.00 H new ATOM 0 HB2 TRP A 115 28.179 -7.136 -4.712 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.896 -7.068 -5.903 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.847 -9.494 -4.074 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.885 -11.833 -5.130 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.934 -8.284 -8.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 28.181 -13.001 -7.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.621 -10.046 -10.371 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.263 -12.392 -9.896 1.00 0.00 H new ATOM 463 N SER A 116 29.446 -4.358 -5.827 1.00 0.00 N ATOM 464 CA SER A 116 29.357 -2.915 -5.724 1.00 0.00 C ATOM 465 C SER A 116 29.713 -2.301 -7.080 1.00 0.00 C ATOM 466 O SER A 116 29.028 -1.400 -7.555 1.00 0.00 O ATOM 467 CB SER A 116 30.310 -2.427 -4.629 1.00 0.00 C ATOM 468 OG SER A 116 31.592 -2.990 -4.828 1.00 0.00 O ATOM 0 H SER A 116 30.204 -4.772 -5.284 1.00 0.00 H new ATOM 0 HA SER A 116 28.345 -2.610 -5.457 1.00 0.00 H new ATOM 0 HB2 SER A 116 30.373 -1.339 -4.647 1.00 0.00 H new ATOM 0 HB3 SER A 116 29.927 -2.708 -3.648 1.00 0.00 H new ATOM 0 HG SER A 116 32.200 -2.675 -4.127 1.00 0.00 H new ATOM 474 N VAL A 117 30.788 -2.806 -7.703 1.00 0.00 N ATOM 475 CA VAL A 117 31.228 -2.334 -9.009 1.00 0.00 C ATOM 476 C VAL A 117 30.167 -2.678 -10.050 1.00 0.00 C ATOM 477 O VAL A 117 29.782 -1.829 -10.846 1.00 0.00 O ATOM 478 CB VAL A 117 32.579 -2.984 -9.359 1.00 0.00 C ATOM 479 CG1 VAL A 117 33.026 -2.548 -10.758 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.637 -2.561 -8.335 1.00 0.00 C ATOM 0 H VAL A 117 31.369 -3.548 -7.312 1.00 0.00 H new ATOM 0 HA VAL A 117 31.362 -1.252 -8.994 1.00 0.00 H new ATOM 0 HB VAL A 117 32.463 -4.068 -9.340 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.983 -3.013 -10.996 1.00 0.00 H new ATOM 0 HG12 VAL A 117 32.280 -2.856 -11.491 1.00 0.00 H new ATOM 0 HG13 VAL A 117 33.134 -1.464 -10.784 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.592 -3.023 -8.586 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.744 -1.476 -8.349 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.329 -2.882 -7.340 1.00 0.00 H new ATOM 490 N ILE A 118 29.689 -3.925 -10.039 1.00 0.00 N ATOM 491 CA ILE A 118 28.664 -4.361 -10.974 1.00 0.00 C ATOM 492 C ILE A 118 27.420 -3.479 -10.819 1.00 0.00 C ATOM 493 O ILE A 118 26.833 -3.066 -11.814 1.00 0.00 O ATOM 494 CB ILE A 118 28.343 -5.847 -10.725 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.548 -6.704 -11.159 1.00 0.00 C ATOM 496 CG2 ILE A 118 27.101 -6.256 -11.532 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.446 -8.114 -10.575 1.00 0.00 C ATOM 0 H ILE A 118 30.000 -4.647 -9.389 1.00 0.00 H new ATOM 0 HA ILE A 118 29.021 -4.260 -11.999 1.00 0.00 H new ATOM 0 HB ILE A 118 28.144 -6.003 -9.665 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.590 -6.758 -12.247 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.474 -6.234 -10.827 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.880 -7.308 -11.351 1.00 0.00 H new ATOM 0 HG22 ILE A 118 26.250 -5.648 -11.224 1.00 0.00 H new ATOM 0 HG23 ILE A 118 27.291 -6.103 -12.594 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.306 -8.703 -10.893 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.428 -8.057 -9.487 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.531 -8.589 -10.928 1.00 0.00 H new ATOM 509 N ALA A 119 27.024 -3.190 -9.569 1.00 0.00 N ATOM 510 CA ALA A 119 25.844 -2.376 -9.288 1.00 0.00 C ATOM 511 C ALA A 119 25.988 -0.965 -9.872 1.00 0.00 C ATOM 512 O ALA A 119 25.004 -0.397 -10.343 1.00 0.00 O ATOM 513 CB ALA A 119 25.621 -2.312 -7.777 1.00 0.00 C ATOM 0 H ALA A 119 27.513 -3.514 -8.734 1.00 0.00 H new ATOM 0 HA ALA A 119 24.979 -2.839 -9.763 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.741 -1.705 -7.564 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.470 -3.319 -7.389 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.493 -1.866 -7.299 1.00 0.00 H new ATOM 519 N LYS A 120 27.206 -0.393 -9.846 1.00 0.00 N ATOM 520 CA LYS A 120 27.437 0.950 -10.386 1.00 0.00 C ATOM 521 C LYS A 120 27.018 1.011 -11.856 1.00 0.00 C ATOM 522 O LYS A 120 26.647 2.076 -12.349 1.00 0.00 O ATOM 523 CB LYS A 120 28.917 1.328 -10.253 1.00 0.00 C ATOM 524 CG LYS A 120 29.241 1.711 -8.810 1.00 0.00 C ATOM 525 CD LYS A 120 30.740 2.007 -8.696 1.00 0.00 C ATOM 526 CE LYS A 120 31.169 2.000 -7.227 1.00 0.00 C ATOM 527 NZ LYS A 120 30.481 3.057 -6.462 1.00 0.00 N ATOM 0 H LYS A 120 28.037 -0.840 -9.459 1.00 0.00 H new ATOM 0 HA LYS A 120 26.836 1.659 -9.817 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.542 0.491 -10.563 1.00 0.00 H new ATOM 0 HB3 LYS A 120 29.147 2.161 -10.918 1.00 0.00 H new ATOM 0 HG2 LYS A 120 28.661 2.585 -8.513 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.965 0.901 -8.135 1.00 0.00 H new ATOM 0 HD2 LYS A 120 31.309 1.262 -9.252 1.00 0.00 H new ATOM 0 HD3 LYS A 120 30.962 2.976 -9.143 1.00 0.00 H new ATOM 0 HE2 LYS A 120 30.949 1.028 -6.786 1.00 0.00 H new ATOM 0 HE3 LYS A 120 32.247 2.143 -7.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 30.901 3.128 -5.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 30.585 3.967 -6.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 29.471 2.823 -6.377 1.00 0.00 H new ATOM 541 N HIS A 121 27.080 -0.131 -12.554 1.00 0.00 N ATOM 542 CA HIS A 121 26.719 -0.204 -13.958 1.00 0.00 C ATOM 543 C HIS A 121 25.269 -0.652 -14.058 1.00 0.00 C ATOM 544 O HIS A 121 24.512 -0.155 -14.891 1.00 0.00 O ATOM 545 CB HIS A 121 27.649 -1.188 -14.672 1.00 0.00 C ATOM 546 CG HIS A 121 29.083 -1.077 -14.217 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.725 0.141 -14.014 1.00 0.00 N ATOM 548 CD2 HIS A 121 30.024 -2.023 -13.907 1.00 0.00 C ATOM 549 CE1 HIS A 121 30.980 -0.144 -13.607 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.227 -1.450 -13.524 1.00 0.00 N ATOM 0 H HIS A 121 27.381 -1.020 -12.155 1.00 0.00 H new ATOM 0 HA HIS A 121 26.826 0.770 -14.436 1.00 0.00 H new ATOM 0 HB2 HIS A 121 27.296 -2.205 -14.499 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.600 -1.012 -15.747 1.00 0.00 H new ATOM 0 HD1 HIS A 121 29.325 1.070 -14.147 1.00 0.00 H new ATOM 0 HD2 HIS A 121 29.850 -3.088 -13.955 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.713 0.614 -13.371 1.00 0.00 H new ATOM 558 N LEU A 122 24.889 -1.593 -13.187 1.00 0.00 N ATOM 559 CA LEU A 122 23.539 -2.104 -13.126 1.00 0.00 C ATOM 560 C LEU A 122 22.689 -1.122 -12.307 1.00 0.00 C ATOM 561 O LEU A 122 22.174 -1.463 -11.242 1.00 0.00 O ATOM 562 CB LEU A 122 23.572 -3.513 -12.491 1.00 0.00 C ATOM 563 CG LEU A 122 22.491 -4.427 -13.092 1.00 0.00 C ATOM 564 CD1 LEU A 122 21.161 -3.684 -13.212 1.00 0.00 C ATOM 565 CD2 LEU A 122 22.932 -4.919 -14.471 1.00 0.00 C ATOM 0 H LEU A 122 25.521 -2.015 -12.507 1.00 0.00 H new ATOM 0 HA LEU A 122 23.097 -2.194 -14.118 1.00 0.00 H new ATOM 0 HB2 LEU A 122 24.554 -3.960 -12.645 1.00 0.00 H new ATOM 0 HB3 LEU A 122 23.424 -3.432 -11.414 1.00 0.00 H new ATOM 0 HG LEU A 122 22.355 -5.281 -12.428 1.00 0.00 H new ATOM 0 HD11 LEU A 122 20.410 -4.349 -13.639 1.00 0.00 H new ATOM 0 HD12 LEU A 122 20.836 -3.357 -12.224 1.00 0.00 H new ATOM 0 HD13 LEU A 122 21.287 -2.815 -13.858 1.00 0.00 H new ATOM 0 HD21 LEU A 122 22.161 -5.566 -14.890 1.00 0.00 H new ATOM 0 HD22 LEU A 122 23.087 -4.065 -15.130 1.00 0.00 H new ATOM 0 HD23 LEU A 122 23.863 -5.478 -14.377 1.00 0.00 H new ATOM 577 N LYS A 123 22.558 0.109 -12.814 1.00 0.00 N ATOM 578 CA LYS A 123 21.810 1.153 -12.136 1.00 0.00 C ATOM 579 C LYS A 123 20.340 0.754 -12.034 1.00 0.00 C ATOM 580 O LYS A 123 19.590 0.880 -13.002 1.00 0.00 O ATOM 581 CB LYS A 123 21.971 2.470 -12.902 1.00 0.00 C ATOM 582 CG LYS A 123 23.441 2.905 -12.876 1.00 0.00 C ATOM 583 CD LYS A 123 23.590 4.259 -13.570 1.00 0.00 C ATOM 584 CE LYS A 123 25.066 4.665 -13.586 1.00 0.00 C ATOM 585 NZ LYS A 123 25.249 5.975 -14.234 1.00 0.00 N ATOM 0 H LYS A 123 22.968 0.400 -13.701 1.00 0.00 H new ATOM 0 HA LYS A 123 22.195 1.288 -11.125 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.636 2.346 -13.932 1.00 0.00 H new ATOM 0 HB3 LYS A 123 21.345 3.242 -12.454 1.00 0.00 H new ATOM 0 HG2 LYS A 123 23.792 2.973 -11.846 1.00 0.00 H new ATOM 0 HG3 LYS A 123 24.060 2.159 -13.375 1.00 0.00 H new ATOM 0 HD2 LYS A 123 23.207 4.202 -14.589 1.00 0.00 H new ATOM 0 HD3 LYS A 123 23.000 5.013 -13.049 1.00 0.00 H new ATOM 0 HE2 LYS A 123 25.447 4.704 -12.565 1.00 0.00 H new ATOM 0 HE3 LYS A 123 25.648 3.910 -14.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 26.258 6.226 -14.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 24.907 5.928 -15.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 24.711 6.698 -13.714 1.00 0.00 H new ATOM 599 N GLY A 124 19.938 0.270 -10.854 1.00 0.00 N ATOM 600 CA GLY A 124 18.573 -0.158 -10.610 1.00 0.00 C ATOM 601 C GLY A 124 18.562 -1.342 -9.648 1.00 0.00 C ATOM 602 O GLY A 124 17.698 -1.424 -8.777 1.00 0.00 O ATOM 0 H GLY A 124 20.555 0.168 -10.048 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.994 0.666 -10.193 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.097 -0.438 -11.550 1.00 0.00 H new ATOM 606 N ARG A 125 19.525 -2.259 -9.813 1.00 0.00 N ATOM 607 CA ARG A 125 19.623 -3.447 -8.976 1.00 0.00 C ATOM 608 C ARG A 125 20.770 -3.271 -7.985 1.00 0.00 C ATOM 609 O ARG A 125 21.908 -3.036 -8.388 1.00 0.00 O ATOM 610 CB ARG A 125 19.854 -4.684 -9.859 1.00 0.00 C ATOM 611 CG ARG A 125 18.753 -4.805 -10.929 1.00 0.00 C ATOM 612 CD ARG A 125 17.444 -5.299 -10.295 1.00 0.00 C ATOM 613 NE ARG A 125 16.275 -4.889 -11.087 1.00 0.00 N ATOM 614 CZ ARG A 125 16.115 -5.202 -12.386 1.00 0.00 C ATOM 615 NH1 ARG A 125 16.897 -6.123 -12.957 1.00 0.00 N ATOM 616 NH2 ARG A 125 15.177 -4.590 -13.115 1.00 0.00 N ATOM 0 H ARG A 125 20.250 -2.193 -10.527 1.00 0.00 H new ATOM 0 HA ARG A 125 18.696 -3.587 -8.421 1.00 0.00 H new ATOM 0 HB2 ARG A 125 20.829 -4.616 -10.341 1.00 0.00 H new ATOM 0 HB3 ARG A 125 19.866 -5.581 -9.240 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.592 -3.838 -11.405 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.070 -5.496 -11.710 1.00 0.00 H new ATOM 0 HD2 ARG A 125 17.466 -6.386 -10.212 1.00 0.00 H new ATOM 0 HD3 ARG A 125 17.356 -4.904 -9.283 1.00 0.00 H new ATOM 0 HE ARG A 125 15.548 -4.339 -10.628 1.00 0.00 H new ATOM 0 HH11 ARG A 125 17.618 -6.591 -12.408 1.00 0.00 H new ATOM 0 HH12 ARG A 125 16.773 -6.358 -13.942 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.579 -3.883 -12.687 1.00 0.00 H new ATOM 0 HH22 ARG A 125 15.059 -4.830 -14.099 1.00 0.00 H new ATOM 630 N ILE A 126 20.467 -3.383 -6.687 1.00 0.00 N ATOM 631 CA ILE A 126 21.473 -3.226 -5.646 1.00 0.00 C ATOM 632 C ILE A 126 22.383 -4.458 -5.600 1.00 0.00 C ATOM 633 O ILE A 126 22.142 -5.446 -6.298 1.00 0.00 O ATOM 634 CB ILE A 126 20.790 -2.983 -4.286 1.00 0.00 C ATOM 635 CG1 ILE A 126 19.838 -4.142 -3.953 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.007 -1.665 -4.338 1.00 0.00 C ATOM 637 CD1 ILE A 126 19.457 -4.099 -2.472 1.00 0.00 C ATOM 0 H ILE A 126 19.530 -3.582 -6.338 1.00 0.00 H new ATOM 0 HA ILE A 126 22.094 -2.359 -5.873 1.00 0.00 H new ATOM 0 HB ILE A 126 21.553 -2.924 -3.509 1.00 0.00 H new ATOM 0 HG12 ILE A 126 18.942 -4.075 -4.569 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.315 -5.094 -4.186 1.00 0.00 H new ATOM 0 HG21 ILE A 126 19.523 -1.491 -3.377 1.00 0.00 H new ATOM 0 HG22 ILE A 126 20.691 -0.844 -4.554 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.250 -1.722 -5.120 1.00 0.00 H new ATOM 0 HD11 ILE A 126 18.782 -4.924 -2.246 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.356 -4.188 -1.862 1.00 0.00 H new ATOM 0 HD13 ILE A 126 18.961 -3.154 -2.251 1.00 0.00 H new ATOM 649 N GLY A 127 23.434 -4.384 -4.773 1.00 0.00 N ATOM 650 CA GLY A 127 24.409 -5.456 -4.638 1.00 0.00 C ATOM 651 C GLY A 127 23.734 -6.806 -4.393 1.00 0.00 C ATOM 652 O GLY A 127 24.075 -7.789 -5.047 1.00 0.00 O ATOM 0 H GLY A 127 23.626 -3.575 -4.181 1.00 0.00 H new ATOM 0 HA2 GLY A 127 25.017 -5.511 -5.541 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.085 -5.232 -3.813 1.00 0.00 H new ATOM 656 N LYS A 128 22.782 -6.861 -3.448 1.00 0.00 N ATOM 657 CA LYS A 128 22.106 -8.109 -3.123 1.00 0.00 C ATOM 658 C LYS A 128 21.403 -8.670 -4.356 1.00 0.00 C ATOM 659 O LYS A 128 21.658 -9.802 -4.733 1.00 0.00 O ATOM 660 CB LYS A 128 21.107 -7.899 -1.981 1.00 0.00 C ATOM 661 CG LYS A 128 20.399 -9.230 -1.686 1.00 0.00 C ATOM 662 CD LYS A 128 19.610 -9.127 -0.379 1.00 0.00 C ATOM 663 CE LYS A 128 18.738 -10.378 -0.198 1.00 0.00 C ATOM 664 NZ LYS A 128 19.558 -11.602 -0.079 1.00 0.00 N ATOM 0 H LYS A 128 22.471 -6.057 -2.903 1.00 0.00 H new ATOM 0 HA LYS A 128 22.853 -8.831 -2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.623 -7.541 -1.090 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.377 -7.137 -2.254 1.00 0.00 H new ATOM 0 HG2 LYS A 128 19.727 -9.483 -2.506 1.00 0.00 H new ATOM 0 HG3 LYS A 128 21.132 -10.033 -1.615 1.00 0.00 H new ATOM 0 HD2 LYS A 128 20.295 -9.025 0.463 1.00 0.00 H new ATOM 0 HD3 LYS A 128 18.984 -8.235 -0.391 1.00 0.00 H new ATOM 0 HE2 LYS A 128 18.120 -10.265 0.693 1.00 0.00 H new ATOM 0 HE3 LYS A 128 18.060 -10.475 -1.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 18.981 -12.369 0.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 19.901 -11.883 -1.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 20.370 -11.417 0.544 1.00 0.00 H new ATOM 678 N GLN A 129 20.516 -7.879 -4.977 1.00 0.00 N ATOM 679 CA GLN A 129 19.778 -8.321 -6.156 1.00 0.00 C ATOM 680 C GLN A 129 20.735 -8.951 -7.162 1.00 0.00 C ATOM 681 O GLN A 129 20.543 -10.092 -7.566 1.00 0.00 O ATOM 682 CB GLN A 129 19.050 -7.135 -6.788 1.00 0.00 C ATOM 683 CG GLN A 129 17.875 -6.711 -5.909 1.00 0.00 C ATOM 684 CD GLN A 129 17.002 -5.709 -6.644 1.00 0.00 C ATOM 685 OE1 GLN A 129 17.114 -4.506 -6.429 1.00 0.00 O ATOM 686 NE2 GLN A 129 16.136 -6.208 -7.522 1.00 0.00 N ATOM 0 H GLN A 129 20.296 -6.929 -4.677 1.00 0.00 H new ATOM 0 HA GLN A 129 19.041 -9.067 -5.858 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.740 -6.300 -6.914 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.692 -7.406 -7.781 1.00 0.00 H new ATOM 0 HG2 GLN A 129 17.284 -7.585 -5.633 1.00 0.00 H new ATOM 0 HG3 GLN A 129 18.245 -6.271 -4.983 1.00 0.00 H new ATOM 0 HE21 GLN A 129 16.080 -7.216 -7.666 1.00 0.00 H new ATOM 0 HE22 GLN A 129 15.528 -5.582 -8.051 1.00 0.00 H new ATOM 695 N CYS A 130 21.765 -8.199 -7.556 1.00 0.00 N ATOM 696 CA CYS A 130 22.775 -8.686 -8.494 1.00 0.00 C ATOM 697 C CYS A 130 23.335 -10.038 -8.027 1.00 0.00 C ATOM 698 O CYS A 130 23.357 -10.997 -8.799 1.00 0.00 O ATOM 699 CB CYS A 130 23.901 -7.655 -8.619 1.00 0.00 C ATOM 700 SG CYS A 130 23.267 -6.177 -9.451 1.00 0.00 S ATOM 0 H CYS A 130 21.921 -7.243 -7.236 1.00 0.00 H new ATOM 0 HA CYS A 130 22.313 -8.828 -9.471 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.283 -7.395 -7.632 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.734 -8.075 -9.183 1.00 0.00 H new ATOM 0 HG CYS A 130 22.613 -5.446 -8.598 1.00 0.00 H new ATOM 706 N ARG A 131 23.789 -10.112 -6.763 1.00 0.00 N ATOM 707 CA ARG A 131 24.349 -11.341 -6.208 1.00 0.00 C ATOM 708 C ARG A 131 23.356 -12.494 -6.357 1.00 0.00 C ATOM 709 O ARG A 131 23.668 -13.493 -6.997 1.00 0.00 O ATOM 710 CB ARG A 131 24.712 -11.114 -4.728 1.00 0.00 C ATOM 711 CG ARG A 131 25.721 -12.175 -4.244 1.00 0.00 C ATOM 712 CD ARG A 131 25.017 -13.484 -3.842 1.00 0.00 C ATOM 713 NE ARG A 131 24.033 -13.275 -2.770 1.00 0.00 N ATOM 714 CZ ARG A 131 24.361 -13.221 -1.466 1.00 0.00 C ATOM 715 NH1 ARG A 131 25.648 -13.186 -1.092 1.00 0.00 N ATOM 716 NH2 ARG A 131 23.398 -13.205 -0.540 1.00 0.00 N ATOM 0 H ARG A 131 23.775 -9.328 -6.111 1.00 0.00 H new ATOM 0 HA ARG A 131 25.253 -11.607 -6.756 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.136 -10.118 -4.601 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.811 -11.157 -4.117 1.00 0.00 H new ATOM 0 HG2 ARG A 131 26.444 -12.378 -5.034 1.00 0.00 H new ATOM 0 HG3 ARG A 131 26.280 -11.785 -3.393 1.00 0.00 H new ATOM 0 HD2 ARG A 131 24.519 -13.910 -4.713 1.00 0.00 H new ATOM 0 HD3 ARG A 131 25.761 -14.210 -3.514 1.00 0.00 H new ATOM 0 HE ARG A 131 23.052 -13.165 -3.028 1.00 0.00 H new ATOM 0 HH11 ARG A 131 26.385 -13.200 -1.797 1.00 0.00 H new ATOM 0 HH12 ARG A 131 25.890 -13.145 -0.102 1.00 0.00 H new ATOM 0 HH21 ARG A 131 22.418 -13.234 -0.822 1.00 0.00 H new ATOM 0 HH22 ARG A 131 23.643 -13.164 0.449 1.00 0.00 H new ATOM 730 N GLU A 132 22.165 -12.357 -5.756 1.00 0.00 N ATOM 731 CA GLU A 132 21.150 -13.402 -5.795 1.00 0.00 C ATOM 732 C GLU A 132 20.882 -13.821 -7.232 1.00 0.00 C ATOM 733 O GLU A 132 20.956 -15.002 -7.551 1.00 0.00 O ATOM 734 CB GLU A 132 19.846 -12.903 -5.151 1.00 0.00 C ATOM 735 CG GLU A 132 20.061 -12.505 -3.685 1.00 0.00 C ATOM 736 CD GLU A 132 20.439 -13.686 -2.801 1.00 0.00 C ATOM 737 OE1 GLU A 132 20.217 -14.835 -3.239 1.00 0.00 O ATOM 738 OE2 GLU A 132 20.946 -13.407 -1.689 1.00 0.00 O ATOM 0 H GLU A 132 21.887 -11.525 -5.236 1.00 0.00 H new ATOM 0 HA GLU A 132 21.518 -14.262 -5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.467 -12.047 -5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 132 19.088 -13.684 -5.210 1.00 0.00 H new ATOM 0 HG2 GLU A 132 20.845 -11.750 -3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 132 19.150 -12.047 -3.301 1.00 0.00 H new ATOM 745 N ARG A 133 20.562 -12.853 -8.098 1.00 0.00 N ATOM 746 CA ARG A 133 20.260 -13.136 -9.492 1.00 0.00 C ATOM 747 C ARG A 133 21.302 -14.088 -10.067 1.00 0.00 C ATOM 748 O ARG A 133 20.970 -14.978 -10.853 1.00 0.00 O ATOM 749 CB ARG A 133 20.220 -11.827 -10.291 1.00 0.00 C ATOM 750 CG ARG A 133 19.778 -12.093 -11.741 1.00 0.00 C ATOM 751 CD ARG A 133 18.360 -12.676 -11.765 1.00 0.00 C ATOM 752 NE ARG A 133 17.803 -12.662 -13.122 1.00 0.00 N ATOM 753 CZ ARG A 133 16.616 -13.210 -13.431 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.911 -13.846 -12.494 1.00 0.00 N ATOM 755 NH2 ARG A 133 16.139 -13.121 -14.676 1.00 0.00 N ATOM 0 H ARG A 133 20.507 -11.865 -7.850 1.00 0.00 H new ATOM 0 HA ARG A 133 19.283 -13.614 -9.560 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.532 -11.126 -9.818 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.205 -11.360 -10.285 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.807 -11.166 -12.314 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.471 -12.785 -12.219 1.00 0.00 H new ATOM 0 HD2 ARG A 133 18.378 -13.698 -11.387 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.716 -12.101 -11.099 1.00 0.00 H new ATOM 0 HE ARG A 133 18.341 -12.216 -13.865 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.273 -13.916 -11.543 1.00 0.00 H new ATOM 0 HH12 ARG A 133 15.010 -14.262 -12.728 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.676 -12.636 -15.395 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.237 -13.538 -14.908 1.00 0.00 H new ATOM 769 N TRP A 134 22.563 -13.899 -9.672 1.00 0.00 N ATOM 770 CA TRP A 134 23.640 -14.717 -10.162 1.00 0.00 C ATOM 771 C TRP A 134 23.667 -16.080 -9.473 1.00 0.00 C ATOM 772 O TRP A 134 23.565 -17.106 -10.141 1.00 0.00 O ATOM 773 CB TRP A 134 24.973 -13.992 -9.969 1.00 0.00 C ATOM 774 CG TRP A 134 26.009 -14.487 -10.903 1.00 0.00 C ATOM 775 CD1 TRP A 134 27.151 -15.117 -10.581 1.00 0.00 C ATOM 776 CD2 TRP A 134 25.977 -14.445 -12.345 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.834 -15.487 -11.714 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.136 -15.102 -12.847 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.073 -13.921 -13.290 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.364 -15.252 -14.213 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.303 -14.069 -14.658 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.421 -14.755 -15.119 1.00 0.00 C ATOM 0 H TRP A 134 22.850 -13.178 -9.010 1.00 0.00 H new ATOM 0 HA TRP A 134 23.477 -14.891 -11.226 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.830 -12.922 -10.119 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.315 -14.127 -8.943 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.486 -15.306 -9.572 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.729 -15.976 -11.720 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.191 -13.398 -12.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.257 -15.745 -14.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.606 -13.646 -15.366 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.562 -14.905 -16.179 1.00 0.00 H new ATOM 793 N HIS A 135 23.823 -16.093 -8.144 1.00 0.00 N ATOM 794 CA HIS A 135 23.961 -17.334 -7.385 1.00 0.00 C ATOM 795 C HIS A 135 22.606 -18.010 -7.133 1.00 0.00 C ATOM 796 O HIS A 135 22.370 -18.526 -6.044 1.00 0.00 O ATOM 797 CB HIS A 135 24.672 -17.025 -6.064 1.00 0.00 C ATOM 798 CG HIS A 135 26.089 -16.558 -6.274 1.00 0.00 C ATOM 799 ND1 HIS A 135 27.168 -17.434 -6.311 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.637 -15.316 -6.466 1.00 0.00 C ATOM 801 CE1 HIS A 135 28.270 -16.684 -6.516 1.00 0.00 C ATOM 802 NE2 HIS A 135 28.014 -15.380 -6.619 1.00 0.00 N ATOM 0 H HIS A 135 23.857 -15.249 -7.572 1.00 0.00 H new ATOM 0 HA HIS A 135 24.553 -18.038 -7.970 1.00 0.00 H new ATOM 0 HB2 HIS A 135 24.115 -16.259 -5.525 1.00 0.00 H new ATOM 0 HB3 HIS A 135 24.675 -17.917 -5.438 1.00 0.00 H new ATOM 0 HD1 HIS A 135 27.133 -18.448 -6.204 1.00 0.00 H new ATOM 0 HD2 HIS A 135 26.066 -14.400 -6.495 1.00 0.00 H new ATOM 0 HE1 HIS A 135 29.264 -17.100 -6.590 1.00 0.00 H new ATOM 810 N ASN A 136 21.729 -18.027 -8.145 1.00 0.00 N ATOM 811 CA ASN A 136 20.438 -18.702 -8.048 1.00 0.00 C ATOM 812 C ASN A 136 19.994 -19.146 -9.433 1.00 0.00 C ATOM 813 O ASN A 136 19.817 -20.335 -9.682 1.00 0.00 O ATOM 814 CB ASN A 136 19.373 -17.770 -7.450 1.00 0.00 C ATOM 815 CG ASN A 136 19.581 -17.551 -5.957 1.00 0.00 C ATOM 816 OD1 ASN A 136 19.611 -18.504 -5.183 1.00 0.00 O ATOM 817 ND2 ASN A 136 19.717 -16.291 -5.556 1.00 0.00 N ATOM 0 H ASN A 136 21.896 -17.576 -9.045 1.00 0.00 H new ATOM 0 HA ASN A 136 20.550 -19.567 -7.394 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.401 -16.810 -7.965 1.00 0.00 H new ATOM 0 HB3 ASN A 136 18.383 -18.194 -7.620 1.00 0.00 H new ATOM 0 HD21 ASN A 136 19.853 -16.082 -4.567 1.00 0.00 H new ATOM 0 HD22 ASN A 136 19.685 -15.533 -6.237 1.00 0.00 H new ATOM 824 N HIS A 137 19.796 -18.173 -10.327 1.00 0.00 N ATOM 825 CA HIS A 137 19.284 -18.448 -11.668 1.00 0.00 C ATOM 826 C HIS A 137 20.382 -18.870 -12.649 1.00 0.00 C ATOM 827 O HIS A 137 20.406 -20.020 -13.081 1.00 0.00 O ATOM 828 CB HIS A 137 18.558 -17.212 -12.203 1.00 0.00 C ATOM 829 CG HIS A 137 17.458 -16.750 -11.295 1.00 0.00 C ATOM 830 ND1 HIS A 137 17.455 -15.901 -10.229 1.00 0.00 N flip ATOM 831 CD2 HIS A 137 16.139 -17.168 -11.428 1.00 0.00 C flip ATOM 832 CE1 HIS A 137 16.187 -15.759 -9.684 1.00 0.00 C flip ATOM 833 NE2 HIS A 137 15.440 -16.553 -10.453 1.00 0.00 N flip ATOM 0 H HIS A 137 19.984 -17.187 -10.144 1.00 0.00 H new ATOM 0 HA HIS A 137 18.594 -19.287 -11.583 1.00 0.00 H new ATOM 0 HB2 HIS A 137 19.276 -16.403 -12.338 1.00 0.00 H new ATOM 0 HB3 HIS A 137 18.143 -17.436 -13.186 1.00 0.00 H new ATOM 0 HD2 HIS A 137 15.750 -17.852 -12.168 1.00 0.00 H new ATOM 0 HE1 HIS A 137 15.880 -15.154 -8.844 1.00 0.00 H new ATOM 0 HE2 HIS A 137 14.437 -16.682 -10.317 1.00 0.00 H new ATOM 841 N LEU A 138 21.264 -17.934 -13.036 1.00 0.00 N ATOM 842 CA LEU A 138 22.242 -18.197 -14.092 1.00 0.00 C ATOM 843 C LEU A 138 23.388 -19.080 -13.577 1.00 0.00 C ATOM 844 O LEU A 138 23.398 -20.281 -13.834 1.00 0.00 O ATOM 845 CB LEU A 138 22.774 -16.869 -14.703 1.00 0.00 C ATOM 846 CG LEU A 138 21.695 -15.766 -14.700 1.00 0.00 C ATOM 847 CD1 LEU A 138 22.202 -14.534 -15.435 1.00 0.00 C ATOM 848 CD2 LEU A 138 20.406 -16.238 -15.387 1.00 0.00 C ATOM 0 H LEU A 138 21.316 -16.998 -12.635 1.00 0.00 H new ATOM 0 HA LEU A 138 21.739 -18.746 -14.888 1.00 0.00 H new ATOM 0 HB2 LEU A 138 23.642 -16.530 -14.137 1.00 0.00 H new ATOM 0 HB3 LEU A 138 23.109 -17.047 -15.725 1.00 0.00 H new ATOM 0 HG LEU A 138 21.480 -15.528 -13.658 1.00 0.00 H new ATOM 0 HD11 LEU A 138 21.432 -13.763 -15.426 1.00 0.00 H new ATOM 0 HD12 LEU A 138 23.098 -14.158 -14.940 1.00 0.00 H new ATOM 0 HD13 LEU A 138 22.440 -14.797 -16.466 1.00 0.00 H new ATOM 0 HD21 LEU A 138 19.668 -15.436 -15.367 1.00 0.00 H new ATOM 0 HD22 LEU A 138 20.622 -16.506 -16.421 1.00 0.00 H new ATOM 0 HD23 LEU A 138 20.011 -17.108 -14.862 1.00 0.00 H new ATOM 860 N ASN A 139 24.356 -18.477 -12.868 1.00 0.00 N ATOM 861 CA ASN A 139 25.538 -19.179 -12.370 1.00 0.00 C ATOM 862 C ASN A 139 26.117 -20.145 -13.431 1.00 0.00 C ATOM 863 O ASN A 139 26.233 -21.341 -13.174 1.00 0.00 O ATOM 864 CB ASN A 139 25.176 -19.930 -11.082 1.00 0.00 C ATOM 865 CG ASN A 139 26.425 -20.465 -10.385 1.00 0.00 C ATOM 866 OD1 ASN A 139 26.573 -21.670 -10.208 1.00 0.00 O ATOM 867 ND2 ASN A 139 27.325 -19.564 -9.987 1.00 0.00 N ATOM 0 H ASN A 139 24.336 -17.486 -12.626 1.00 0.00 H new ATOM 0 HA ASN A 139 26.314 -18.445 -12.154 1.00 0.00 H new ATOM 0 HB2 ASN A 139 24.638 -19.263 -10.408 1.00 0.00 H new ATOM 0 HB3 ASN A 139 24.505 -20.756 -11.316 1.00 0.00 H new ATOM 0 HD21 ASN A 139 28.177 -19.868 -9.515 1.00 0.00 H new ATOM 0 HD22 ASN A 139 27.161 -18.571 -10.155 1.00 0.00 H new ATOM 874 N PRO A 140 26.494 -19.628 -14.623 1.00 0.00 N ATOM 875 CA PRO A 140 27.090 -20.430 -15.674 1.00 0.00 C ATOM 876 C PRO A 140 28.514 -20.808 -15.293 1.00 0.00 C ATOM 877 O PRO A 140 28.953 -21.927 -15.545 1.00 0.00 O ATOM 878 CB PRO A 140 27.084 -19.537 -16.915 1.00 0.00 C ATOM 879 CG PRO A 140 26.901 -18.107 -16.403 1.00 0.00 C ATOM 880 CD PRO A 140 26.363 -18.232 -14.977 1.00 0.00 C ATOM 0 HA PRO A 140 26.546 -21.359 -15.845 1.00 0.00 H new ATOM 0 HB2 PRO A 140 28.016 -19.636 -17.472 1.00 0.00 H new ATOM 0 HB3 PRO A 140 26.277 -19.815 -17.592 1.00 0.00 H new ATOM 0 HG2 PRO A 140 27.846 -17.564 -16.417 1.00 0.00 H new ATOM 0 HG3 PRO A 140 26.206 -17.553 -17.034 1.00 0.00 H new ATOM 0 HD2 PRO A 140 26.927 -17.601 -14.290 1.00 0.00 H new ATOM 0 HD3 PRO A 140 25.323 -17.912 -14.923 1.00 0.00 H new ATOM 888 N GLU A 141 29.237 -19.854 -14.692 1.00 0.00 N ATOM 889 CA GLU A 141 30.623 -20.056 -14.309 1.00 0.00 C ATOM 890 C GLU A 141 30.851 -21.397 -13.597 1.00 0.00 C ATOM 891 O GLU A 141 31.831 -22.088 -13.865 1.00 0.00 O ATOM 892 CB GLU A 141 31.061 -18.943 -13.344 1.00 0.00 C ATOM 893 CG GLU A 141 30.909 -17.551 -13.984 1.00 0.00 C ATOM 894 CD GLU A 141 31.240 -16.468 -12.970 1.00 0.00 C ATOM 895 OE1 GLU A 141 30.432 -16.311 -12.030 1.00 0.00 O ATOM 896 OE2 GLU A 141 32.292 -15.821 -13.150 1.00 0.00 O ATOM 0 H GLU A 141 28.872 -18.929 -14.463 1.00 0.00 H new ATOM 0 HA GLU A 141 31.204 -20.045 -15.231 1.00 0.00 H new ATOM 0 HB2 GLU A 141 30.464 -18.993 -12.433 1.00 0.00 H new ATOM 0 HB3 GLU A 141 32.100 -19.100 -13.053 1.00 0.00 H new ATOM 0 HG2 GLU A 141 31.569 -17.465 -14.847 1.00 0.00 H new ATOM 0 HG3 GLU A 141 29.890 -17.419 -14.348 1.00 0.00 H new HETATM 903 N NH2 A 142 29.963 -21.758 -12.669 1.00 0.00 N TER 906 NH2 A 142