USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=10 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 113 LYS NZ :NH3+ -156:sc= 1.28 (180deg=0) USER MOD Set 1.2: A 135 HIS : no HE2:sc= 1.09 K(o=2.4,f=-5.7!) USER MOD Set 2.1: A 110 TYR OH : rot -120:sc= 1.23 USER MOD Set 2.2: A 121 HIS : no HE2:sc= 0.443 K(o=1.7,f=-2.5) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.32 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= -0.319 X(o=-0.32,f=-0.32) USER MOD Single : A 108 GLN : amide:sc= 0.848 K(o=0.85,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 165:sc= 0.971 (180deg=0.823) USER MOD Single : A 116 SER OG : rot 180:sc= 0.0206 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 166:sc= 1.26 (180deg=1.17) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= -0.159 K(o=-0.16,f=-0.95) USER MOD Single : A 130 CYS SG : rot 80:sc= 0.156 USER MOD Single : A 136 ASN : amide:sc= 0.371 X(o=0.37,f=-0.046) USER MOD Single : A 137 HIS : no HE2:sc= 0.238 K(o=0.24,f=-5.9!) USER MOD Single : A 139 ASN : amide:sc= 0.144 K(o=0.14,f=-0.99) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 90 15.049 -10.600 -4.388 1.00 0.00 N ATOM 2 CA LEU A 90 15.222 -9.697 -5.540 1.00 0.00 C ATOM 3 C LEU A 90 13.883 -9.067 -5.933 1.00 0.00 C ATOM 4 O LEU A 90 13.196 -9.560 -6.824 1.00 0.00 O ATOM 5 CB LEU A 90 15.855 -10.438 -6.736 1.00 0.00 C ATOM 6 CG LEU A 90 15.148 -11.786 -6.993 1.00 0.00 C ATOM 7 CD1 LEU A 90 14.955 -11.984 -8.498 1.00 0.00 C ATOM 8 CD2 LEU A 90 16.000 -12.933 -6.440 1.00 0.00 C ATOM 0 HA LEU A 90 15.903 -8.898 -5.247 1.00 0.00 H new ATOM 0 HB2 LEU A 90 15.792 -9.815 -7.628 1.00 0.00 H new ATOM 0 HB3 LEU A 90 16.914 -10.610 -6.542 1.00 0.00 H new ATOM 0 HG LEU A 90 14.178 -11.781 -6.495 1.00 0.00 H new ATOM 0 HD11 LEU A 90 14.456 -12.936 -8.679 1.00 0.00 H new ATOM 0 HD12 LEU A 90 14.345 -11.173 -8.896 1.00 0.00 H new ATOM 0 HD13 LEU A 90 15.926 -11.984 -8.992 1.00 0.00 H new ATOM 0 HD21 LEU A 90 15.496 -13.882 -6.624 1.00 0.00 H new ATOM 0 HD22 LEU A 90 16.971 -12.936 -6.935 1.00 0.00 H new ATOM 0 HD23 LEU A 90 16.139 -12.798 -5.367 1.00 0.00 H new ATOM 22 N ILE A 91 13.515 -7.970 -5.259 1.00 0.00 N ATOM 23 CA ILE A 91 12.258 -7.285 -5.524 1.00 0.00 C ATOM 24 C ILE A 91 12.424 -6.333 -6.709 1.00 0.00 C ATOM 25 O ILE A 91 12.678 -5.143 -6.529 1.00 0.00 O ATOM 26 CB ILE A 91 11.806 -6.523 -4.265 1.00 0.00 C ATOM 27 CG1 ILE A 91 11.754 -7.466 -3.043 1.00 0.00 C ATOM 28 CG2 ILE A 91 10.422 -5.907 -4.510 1.00 0.00 C ATOM 29 CD1 ILE A 91 10.868 -8.687 -3.321 1.00 0.00 C ATOM 0 H ILE A 91 14.078 -7.542 -4.524 1.00 0.00 H new ATOM 0 HA ILE A 91 11.491 -8.017 -5.778 1.00 0.00 H new ATOM 0 HB ILE A 91 12.527 -5.732 -4.056 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.762 -7.795 -2.791 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.370 -6.924 -2.179 1.00 0.00 H new ATOM 0 HG21 ILE A 91 10.101 -5.367 -3.619 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.475 -5.218 -5.353 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.706 -6.698 -4.733 1.00 0.00 H new ATOM 0 HD11 ILE A 91 10.851 -9.332 -2.442 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.854 -8.357 -3.548 1.00 0.00 H new ATOM 0 HD13 ILE A 91 11.268 -9.241 -4.170 1.00 0.00 H new ATOM 41 N LYS A 92 12.272 -6.867 -7.925 1.00 0.00 N ATOM 42 CA LYS A 92 12.367 -6.079 -9.147 1.00 0.00 C ATOM 43 C LYS A 92 11.836 -6.922 -10.302 1.00 0.00 C ATOM 44 O LYS A 92 12.524 -7.155 -11.300 1.00 0.00 O ATOM 45 CB LYS A 92 13.820 -5.652 -9.371 1.00 0.00 C ATOM 46 CG LYS A 92 13.876 -4.255 -10.005 1.00 0.00 C ATOM 47 CD LYS A 92 13.193 -4.242 -11.378 1.00 0.00 C ATOM 48 CE LYS A 92 13.423 -2.883 -12.047 1.00 0.00 C ATOM 49 NZ LYS A 92 12.843 -2.852 -13.402 1.00 0.00 N ATOM 0 H LYS A 92 12.080 -7.856 -8.084 1.00 0.00 H new ATOM 0 HA LYS A 92 11.769 -5.170 -9.075 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.355 -5.649 -8.421 1.00 0.00 H new ATOM 0 HB3 LYS A 92 14.322 -6.372 -10.017 1.00 0.00 H new ATOM 0 HG2 LYS A 92 13.390 -3.534 -9.347 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.915 -3.941 -10.109 1.00 0.00 H new ATOM 0 HD2 LYS A 92 13.593 -5.040 -12.003 1.00 0.00 H new ATOM 0 HD3 LYS A 92 12.125 -4.429 -11.267 1.00 0.00 H new ATOM 0 HE2 LYS A 92 12.977 -2.095 -11.439 1.00 0.00 H new ATOM 0 HE3 LYS A 92 14.492 -2.677 -12.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 13.013 -1.920 -13.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 13.287 -3.589 -13.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.819 -3.025 -13.345 1.00 0.00 H new ATOM 63 N GLY A 93 10.601 -7.385 -10.136 1.00 0.00 N ATOM 64 CA GLY A 93 9.946 -8.246 -11.098 1.00 0.00 C ATOM 65 C GLY A 93 10.764 -9.523 -11.289 1.00 0.00 C ATOM 66 O GLY A 93 11.703 -9.780 -10.533 1.00 0.00 O ATOM 0 H GLY A 93 10.027 -7.168 -9.321 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.942 -8.494 -10.754 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.837 -7.727 -12.050 1.00 0.00 H new ATOM 70 N PRO A 94 10.424 -10.325 -12.307 1.00 0.00 N ATOM 71 CA PRO A 94 11.149 -11.538 -12.625 1.00 0.00 C ATOM 72 C PRO A 94 12.437 -11.208 -13.386 1.00 0.00 C ATOM 73 O PRO A 94 12.939 -12.029 -14.155 1.00 0.00 O ATOM 74 CB PRO A 94 10.186 -12.339 -13.491 1.00 0.00 C ATOM 75 CG PRO A 94 9.146 -11.342 -14.021 1.00 0.00 C ATOM 76 CD PRO A 94 9.304 -10.071 -13.186 1.00 0.00 C ATOM 0 HA PRO A 94 11.456 -12.091 -11.737 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.714 -12.823 -14.313 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.707 -13.128 -12.911 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.310 -11.135 -15.079 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.138 -11.746 -13.928 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.491 -9.205 -13.821 1.00 0.00 H new ATOM 0 HD3 PRO A 94 8.398 -9.860 -12.617 1.00 0.00 H new ATOM 84 N TRP A 95 12.955 -9.992 -13.168 1.00 0.00 N ATOM 85 CA TRP A 95 14.139 -9.493 -13.853 1.00 0.00 C ATOM 86 C TRP A 95 13.874 -9.420 -15.359 1.00 0.00 C ATOM 87 O TRP A 95 12.774 -9.736 -15.815 1.00 0.00 O ATOM 88 CB TRP A 95 15.359 -10.365 -13.521 1.00 0.00 C ATOM 89 CG TRP A 95 16.241 -9.812 -12.447 1.00 0.00 C ATOM 90 CD1 TRP A 95 15.918 -9.709 -11.146 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.599 -9.280 -12.550 1.00 0.00 C ATOM 92 NE1 TRP A 95 16.953 -9.169 -10.421 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.028 -8.880 -11.243 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.518 -9.090 -13.609 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.291 -8.328 -11.005 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.793 -8.534 -13.370 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.176 -8.156 -12.071 1.00 0.00 C ATOM 0 H TRP A 95 12.556 -9.327 -12.505 1.00 0.00 H new ATOM 0 HA TRP A 95 14.363 -8.484 -13.506 1.00 0.00 H new ATOM 0 HB2 TRP A 95 15.012 -11.353 -13.217 1.00 0.00 H new ATOM 0 HB3 TRP A 95 15.951 -10.500 -14.426 1.00 0.00 H new ATOM 0 HD1 TRP A 95 14.970 -10.011 -10.726 1.00 0.00 H new ATOM 0 HE1 TRP A 95 16.932 -9.004 -9.415 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.240 -9.374 -14.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.579 -8.037 -10.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.480 -8.398 -14.192 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.154 -7.733 -11.898 1.00 0.00 H new ATOM 108 N THR A 96 14.876 -8.983 -16.130 1.00 0.00 N ATOM 109 CA THR A 96 14.730 -8.834 -17.568 1.00 0.00 C ATOM 110 C THR A 96 15.976 -9.388 -18.269 1.00 0.00 C ATOM 111 O THR A 96 17.098 -9.191 -17.802 1.00 0.00 O ATOM 112 CB THR A 96 14.483 -7.353 -17.906 1.00 0.00 C ATOM 113 OG1 THR A 96 15.667 -6.611 -17.724 1.00 0.00 O ATOM 114 CG2 THR A 96 13.378 -6.781 -16.995 1.00 0.00 C ATOM 0 H THR A 96 15.797 -8.728 -15.773 1.00 0.00 H new ATOM 0 HA THR A 96 13.871 -9.403 -17.925 1.00 0.00 H new ATOM 0 HB THR A 96 14.168 -7.281 -18.947 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.501 -5.670 -17.943 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.210 -5.733 -17.241 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.456 -7.342 -17.146 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.686 -6.864 -15.953 1.00 0.00 H new ATOM 122 N LYS A 97 15.759 -10.099 -19.388 1.00 0.00 N ATOM 123 CA LYS A 97 16.829 -10.751 -20.139 1.00 0.00 C ATOM 124 C LYS A 97 17.950 -9.769 -20.495 1.00 0.00 C ATOM 125 O LYS A 97 19.124 -10.123 -20.415 1.00 0.00 O ATOM 126 CB LYS A 97 16.233 -11.372 -21.408 1.00 0.00 C ATOM 127 CG LYS A 97 17.278 -12.255 -22.099 1.00 0.00 C ATOM 128 CD LYS A 97 16.639 -12.965 -23.295 1.00 0.00 C ATOM 129 CE LYS A 97 17.680 -13.849 -23.987 1.00 0.00 C ATOM 130 NZ LYS A 97 17.091 -14.563 -25.135 1.00 0.00 N ATOM 0 H LYS A 97 14.833 -10.234 -19.793 1.00 0.00 H new ATOM 0 HA LYS A 97 17.273 -11.528 -19.517 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.354 -11.965 -21.155 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.903 -10.586 -22.087 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.120 -11.648 -22.431 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.672 -12.989 -21.395 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.796 -13.571 -22.963 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.246 -12.231 -23.998 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.515 -13.236 -24.326 1.00 0.00 H new ATOM 0 HE3 LYS A 97 18.082 -14.569 -23.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.818 -15.155 -25.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.310 -15.165 -24.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.730 -13.873 -25.824 1.00 0.00 H new ATOM 144 N GLU A 98 17.591 -8.546 -20.896 1.00 0.00 N ATOM 145 CA GLU A 98 18.573 -7.541 -21.280 1.00 0.00 C ATOM 146 C GLU A 98 19.552 -7.292 -20.130 1.00 0.00 C ATOM 147 O GLU A 98 20.769 -7.333 -20.322 1.00 0.00 O ATOM 148 CB GLU A 98 17.848 -6.244 -21.656 1.00 0.00 C ATOM 149 CG GLU A 98 18.832 -5.267 -22.311 1.00 0.00 C ATOM 150 CD GLU A 98 18.489 -3.829 -21.948 1.00 0.00 C ATOM 151 OE1 GLU A 98 17.474 -3.335 -22.478 1.00 0.00 O ATOM 152 OE2 GLU A 98 19.254 -3.251 -21.143 1.00 0.00 O ATOM 0 H GLU A 98 16.623 -8.232 -20.962 1.00 0.00 H new ATOM 0 HA GLU A 98 19.140 -7.897 -22.140 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.028 -6.461 -22.340 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.410 -5.791 -20.767 1.00 0.00 H new ATOM 0 HG2 GLU A 98 19.848 -5.496 -21.988 1.00 0.00 H new ATOM 0 HG3 GLU A 98 18.806 -5.389 -23.394 1.00 0.00 H new ATOM 159 N GLU A 99 19.017 -7.028 -18.937 1.00 0.00 N ATOM 160 CA GLU A 99 19.836 -6.740 -17.774 1.00 0.00 C ATOM 161 C GLU A 99 20.638 -7.979 -17.381 1.00 0.00 C ATOM 162 O GLU A 99 21.803 -7.865 -17.017 1.00 0.00 O ATOM 163 CB GLU A 99 18.939 -6.271 -16.627 1.00 0.00 C ATOM 164 CG GLU A 99 19.324 -4.844 -16.225 1.00 0.00 C ATOM 165 CD GLU A 99 18.350 -4.284 -15.199 1.00 0.00 C ATOM 166 OE1 GLU A 99 17.157 -4.667 -15.274 1.00 0.00 O ATOM 167 OE2 GLU A 99 18.810 -3.492 -14.351 1.00 0.00 O ATOM 0 H GLU A 99 18.013 -7.009 -18.757 1.00 0.00 H new ATOM 0 HA GLU A 99 20.544 -5.944 -18.007 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.893 -6.304 -16.933 1.00 0.00 H new ATOM 0 HB3 GLU A 99 19.043 -6.941 -15.773 1.00 0.00 H new ATOM 0 HG2 GLU A 99 20.334 -4.838 -15.814 1.00 0.00 H new ATOM 0 HG3 GLU A 99 19.335 -4.204 -17.108 1.00 0.00 H new ATOM 174 N ASP A 100 20.019 -9.165 -17.460 1.00 0.00 N ATOM 175 CA ASP A 100 20.705 -10.409 -17.136 1.00 0.00 C ATOM 176 C ASP A 100 21.933 -10.564 -18.028 1.00 0.00 C ATOM 177 O ASP A 100 23.014 -10.879 -17.543 1.00 0.00 O ATOM 178 CB ASP A 100 19.751 -11.593 -17.315 1.00 0.00 C ATOM 179 CG ASP A 100 19.014 -11.886 -16.026 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.654 -12.463 -15.124 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.820 -11.530 -15.962 1.00 0.00 O ATOM 0 H ASP A 100 19.047 -9.282 -17.745 1.00 0.00 H new ATOM 0 HA ASP A 100 21.030 -10.385 -16.096 1.00 0.00 H new ATOM 0 HB2 ASP A 100 19.035 -11.373 -18.107 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.312 -12.474 -17.628 1.00 0.00 H new ATOM 186 N GLN A 101 21.765 -10.334 -19.336 1.00 0.00 N ATOM 187 CA GLN A 101 22.863 -10.426 -20.284 1.00 0.00 C ATOM 188 C GLN A 101 23.971 -9.453 -19.878 1.00 0.00 C ATOM 189 O GLN A 101 25.150 -9.802 -19.907 1.00 0.00 O ATOM 190 CB GLN A 101 22.343 -10.112 -21.693 1.00 0.00 C ATOM 191 CG GLN A 101 23.436 -10.386 -22.735 1.00 0.00 C ATOM 192 CD GLN A 101 23.837 -11.858 -22.741 1.00 0.00 C ATOM 193 OE1 GLN A 101 24.962 -12.199 -22.386 1.00 0.00 O ATOM 194 NE2 GLN A 101 22.914 -12.730 -23.146 1.00 0.00 N ATOM 0 H GLN A 101 20.870 -10.082 -19.756 1.00 0.00 H new ATOM 0 HA GLN A 101 23.276 -11.435 -20.283 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.465 -10.720 -21.908 1.00 0.00 H new ATOM 0 HB3 GLN A 101 22.030 -9.069 -21.749 1.00 0.00 H new ATOM 0 HG2 GLN A 101 23.079 -10.100 -23.724 1.00 0.00 H new ATOM 0 HG3 GLN A 101 24.309 -9.770 -22.521 1.00 0.00 H new ATOM 0 HE21 GLN A 101 21.992 -12.401 -23.432 1.00 0.00 H new ATOM 0 HE22 GLN A 101 23.130 -13.727 -23.170 1.00 0.00 H new ATOM 203 N ARG A 102 23.586 -8.231 -19.494 1.00 0.00 N ATOM 204 CA ARG A 102 24.540 -7.219 -19.077 1.00 0.00 C ATOM 205 C ARG A 102 25.314 -7.706 -17.845 1.00 0.00 C ATOM 206 O ARG A 102 26.535 -7.578 -17.795 1.00 0.00 O ATOM 207 CB ARG A 102 23.788 -5.913 -18.790 1.00 0.00 C ATOM 208 CG ARG A 102 24.785 -4.767 -18.600 1.00 0.00 C ATOM 209 CD ARG A 102 24.035 -3.434 -18.487 1.00 0.00 C ATOM 210 NE ARG A 102 23.525 -2.995 -19.800 1.00 0.00 N ATOM 211 CZ ARG A 102 22.229 -3.077 -20.178 1.00 0.00 C ATOM 212 NH1 ARG A 102 21.314 -3.667 -19.398 1.00 0.00 N ATOM 213 NH2 ARG A 102 21.848 -2.562 -21.350 1.00 0.00 N ATOM 0 H ARG A 102 22.613 -7.926 -19.466 1.00 0.00 H new ATOM 0 HA ARG A 102 25.265 -7.035 -19.870 1.00 0.00 H new ATOM 0 HB2 ARG A 102 23.111 -5.685 -19.613 1.00 0.00 H new ATOM 0 HB3 ARG A 102 23.175 -6.025 -17.896 1.00 0.00 H new ATOM 0 HG2 ARG A 102 25.380 -4.936 -17.703 1.00 0.00 H new ATOM 0 HG3 ARG A 102 25.478 -4.734 -19.440 1.00 0.00 H new ATOM 0 HD2 ARG A 102 23.205 -3.539 -17.788 1.00 0.00 H new ATOM 0 HD3 ARG A 102 24.700 -2.673 -18.080 1.00 0.00 H new ATOM 0 HE ARG A 102 24.193 -2.605 -20.465 1.00 0.00 H new ATOM 0 HH11 ARG A 102 21.590 -4.065 -18.500 1.00 0.00 H new ATOM 0 HH12 ARG A 102 20.342 -3.718 -19.702 1.00 0.00 H new ATOM 0 HH21 ARG A 102 22.533 -2.110 -21.955 1.00 0.00 H new ATOM 0 HH22 ARG A 102 20.872 -2.621 -21.640 1.00 0.00 H new ATOM 227 N VAL A 103 24.604 -8.269 -16.855 1.00 0.00 N ATOM 228 CA VAL A 103 25.233 -8.776 -15.639 1.00 0.00 C ATOM 229 C VAL A 103 26.205 -9.900 -15.986 1.00 0.00 C ATOM 230 O VAL A 103 27.328 -9.911 -15.496 1.00 0.00 O ATOM 231 CB VAL A 103 24.156 -9.262 -14.658 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.800 -10.077 -13.530 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.443 -8.056 -14.053 1.00 0.00 C ATOM 0 H VAL A 103 23.591 -8.382 -16.879 1.00 0.00 H new ATOM 0 HA VAL A 103 25.795 -7.974 -15.160 1.00 0.00 H new ATOM 0 HB VAL A 103 23.444 -9.888 -15.195 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.028 -10.417 -12.840 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.314 -10.940 -13.953 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.516 -9.454 -12.994 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.678 -8.398 -13.356 1.00 0.00 H new ATOM 0 HG22 VAL A 103 24.165 -7.435 -13.523 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.976 -7.473 -14.847 1.00 0.00 H new ATOM 243 N ILE A 104 25.773 -10.845 -16.830 1.00 0.00 N ATOM 244 CA ILE A 104 26.619 -11.957 -17.242 1.00 0.00 C ATOM 245 C ILE A 104 27.944 -11.411 -17.783 1.00 0.00 C ATOM 246 O ILE A 104 29.014 -11.873 -17.390 1.00 0.00 O ATOM 247 CB ILE A 104 25.883 -12.798 -18.304 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.781 -13.638 -17.639 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.879 -13.724 -19.020 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.829 -14.203 -18.699 1.00 0.00 C ATOM 0 H ILE A 104 24.838 -10.856 -17.239 1.00 0.00 H new ATOM 0 HA ILE A 104 26.836 -12.601 -16.390 1.00 0.00 H new ATOM 0 HB ILE A 104 25.429 -12.127 -19.033 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.229 -14.454 -17.071 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.224 -13.024 -16.931 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.352 -14.315 -19.769 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.648 -13.124 -19.506 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.344 -14.390 -18.293 1.00 0.00 H new ATOM 0 HD11 ILE A 104 23.054 -14.796 -18.213 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.368 -13.382 -19.248 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.388 -14.834 -19.391 1.00 0.00 H new ATOM 262 N GLU A 105 27.867 -10.423 -18.682 1.00 0.00 N ATOM 263 CA GLU A 105 29.056 -9.825 -19.272 1.00 0.00 C ATOM 264 C GLU A 105 29.899 -9.143 -18.187 1.00 0.00 C ATOM 265 O GLU A 105 31.115 -9.299 -18.161 1.00 0.00 O ATOM 266 CB GLU A 105 28.637 -8.823 -20.358 1.00 0.00 C ATOM 267 CG GLU A 105 29.623 -8.879 -21.532 1.00 0.00 C ATOM 268 CD GLU A 105 31.011 -8.407 -21.116 1.00 0.00 C ATOM 269 OE1 GLU A 105 31.129 -7.203 -20.797 1.00 0.00 O ATOM 270 OE2 GLU A 105 31.934 -9.254 -21.129 1.00 0.00 O ATOM 0 H GLU A 105 26.989 -10.024 -19.013 1.00 0.00 H new ATOM 0 HA GLU A 105 29.667 -10.602 -19.731 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.630 -9.052 -20.707 1.00 0.00 H new ATOM 0 HB3 GLU A 105 28.609 -7.815 -19.943 1.00 0.00 H new ATOM 0 HG2 GLU A 105 29.682 -9.899 -21.911 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.255 -8.257 -22.348 1.00 0.00 H new ATOM 277 N LEU A 106 29.256 -8.388 -17.288 1.00 0.00 N ATOM 278 CA LEU A 106 29.966 -7.691 -16.222 1.00 0.00 C ATOM 279 C LEU A 106 30.719 -8.692 -15.337 1.00 0.00 C ATOM 280 O LEU A 106 31.852 -8.430 -14.943 1.00 0.00 O ATOM 281 CB LEU A 106 28.977 -6.863 -15.390 1.00 0.00 C ATOM 282 CG LEU A 106 28.539 -5.610 -16.169 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.262 -5.042 -15.546 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.638 -4.544 -16.110 1.00 0.00 C ATOM 0 H LEU A 106 28.246 -8.248 -17.282 1.00 0.00 H new ATOM 0 HA LEU A 106 30.698 -7.015 -16.665 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.105 -7.468 -15.142 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.440 -6.570 -14.448 1.00 0.00 H new ATOM 0 HG LEU A 106 28.356 -5.886 -17.208 1.00 0.00 H new ATOM 0 HD11 LEU A 106 26.952 -4.155 -16.098 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.472 -5.791 -15.590 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.452 -4.775 -14.506 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.319 -3.661 -16.664 1.00 0.00 H new ATOM 0 HD22 LEU A 106 29.826 -4.272 -15.071 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.552 -4.939 -16.553 1.00 0.00 H new ATOM 296 N VAL A 107 30.097 -9.839 -15.025 1.00 0.00 N ATOM 297 CA VAL A 107 30.730 -10.859 -14.199 1.00 0.00 C ATOM 298 C VAL A 107 31.885 -11.501 -14.972 1.00 0.00 C ATOM 299 O VAL A 107 32.885 -11.889 -14.379 1.00 0.00 O ATOM 300 CB VAL A 107 29.688 -11.912 -13.786 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.386 -13.108 -13.130 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.704 -11.297 -12.786 1.00 0.00 C ATOM 0 H VAL A 107 29.155 -10.077 -15.336 1.00 0.00 H new ATOM 0 HA VAL A 107 31.133 -10.404 -13.294 1.00 0.00 H new ATOM 0 HB VAL A 107 29.152 -12.246 -14.674 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.642 -13.850 -12.840 1.00 0.00 H new ATOM 0 HG12 VAL A 107 31.086 -13.553 -13.837 1.00 0.00 H new ATOM 0 HG13 VAL A 107 30.928 -12.773 -12.246 1.00 0.00 H new ATOM 0 HG21 VAL A 107 27.966 -12.045 -12.495 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.246 -10.959 -11.903 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.198 -10.449 -13.248 1.00 0.00 H new ATOM 312 N GLN A 108 31.746 -11.604 -16.296 1.00 0.00 N ATOM 313 CA GLN A 108 32.780 -12.182 -17.140 1.00 0.00 C ATOM 314 C GLN A 108 33.982 -11.240 -17.177 1.00 0.00 C ATOM 315 O GLN A 108 35.128 -11.686 -17.200 1.00 0.00 O ATOM 316 CB GLN A 108 32.201 -12.402 -18.546 1.00 0.00 C ATOM 317 CG GLN A 108 33.295 -12.863 -19.514 1.00 0.00 C ATOM 318 CD GLN A 108 32.717 -13.103 -20.905 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.733 -14.227 -21.400 1.00 0.00 O ATOM 320 NE2 GLN A 108 32.205 -12.044 -21.538 1.00 0.00 N ATOM 0 H GLN A 108 30.919 -11.290 -16.804 1.00 0.00 H new ATOM 0 HA GLN A 108 33.112 -13.142 -16.744 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.406 -13.147 -18.505 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.753 -11.477 -18.909 1.00 0.00 H new ATOM 0 HG2 GLN A 108 34.082 -12.111 -19.566 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.754 -13.779 -19.142 1.00 0.00 H new ATOM 0 HE21 GLN A 108 32.213 -11.128 -21.089 1.00 0.00 H new ATOM 0 HE22 GLN A 108 31.806 -12.151 -22.471 1.00 0.00 H new ATOM 329 N LYS A 109 33.707 -9.934 -17.186 1.00 0.00 N ATOM 330 CA LYS A 109 34.738 -8.915 -17.249 1.00 0.00 C ATOM 331 C LYS A 109 35.443 -8.773 -15.896 1.00 0.00 C ATOM 332 O LYS A 109 36.648 -8.996 -15.801 1.00 0.00 O ATOM 333 CB LYS A 109 34.089 -7.588 -17.670 1.00 0.00 C ATOM 334 CG LYS A 109 34.711 -7.102 -18.978 1.00 0.00 C ATOM 335 CD LYS A 109 33.997 -5.828 -19.442 1.00 0.00 C ATOM 336 CE LYS A 109 34.270 -5.588 -20.930 1.00 0.00 C ATOM 337 NZ LYS A 109 33.551 -6.568 -21.767 1.00 0.00 N ATOM 0 H LYS A 109 32.759 -9.560 -17.149 1.00 0.00 H new ATOM 0 HA LYS A 109 35.493 -9.200 -17.981 1.00 0.00 H new ATOM 0 HB2 LYS A 109 33.014 -7.721 -17.795 1.00 0.00 H new ATOM 0 HB3 LYS A 109 34.229 -6.840 -16.890 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.774 -6.905 -18.836 1.00 0.00 H new ATOM 0 HG3 LYS A 109 34.629 -7.876 -19.741 1.00 0.00 H new ATOM 0 HD2 LYS A 109 32.924 -5.919 -19.271 1.00 0.00 H new ATOM 0 HD3 LYS A 109 34.342 -4.975 -18.858 1.00 0.00 H new ATOM 0 HE2 LYS A 109 33.962 -4.578 -21.201 1.00 0.00 H new ATOM 0 HE3 LYS A 109 35.341 -5.657 -21.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 33.541 -6.241 -22.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 34.031 -7.489 -21.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 32.574 -6.666 -21.425 1.00 0.00 H new ATOM 351 N TYR A 110 34.691 -8.389 -14.857 1.00 0.00 N ATOM 352 CA TYR A 110 35.253 -8.174 -13.530 1.00 0.00 C ATOM 353 C TYR A 110 35.482 -9.506 -12.821 1.00 0.00 C ATOM 354 O TYR A 110 36.624 -9.900 -12.590 1.00 0.00 O ATOM 355 CB TYR A 110 34.300 -7.292 -12.715 1.00 0.00 C ATOM 356 CG TYR A 110 34.223 -5.865 -13.211 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.314 -4.998 -13.025 1.00 0.00 C ATOM 358 CD2 TYR A 110 33.059 -5.402 -13.848 1.00 0.00 C ATOM 359 CE1 TYR A 110 35.240 -3.670 -13.474 1.00 0.00 C ATOM 360 CE2 TYR A 110 32.986 -4.074 -14.297 1.00 0.00 C ATOM 361 CZ TYR A 110 34.075 -3.207 -14.107 1.00 0.00 C ATOM 362 OH TYR A 110 34.000 -1.915 -14.533 1.00 0.00 O ATOM 0 H TYR A 110 33.687 -8.222 -14.917 1.00 0.00 H new ATOM 0 HA TYR A 110 36.217 -7.674 -13.626 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.302 -7.731 -12.739 1.00 0.00 H new ATOM 0 HB3 TYR A 110 34.622 -7.289 -11.674 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.209 -5.354 -12.537 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.221 -6.068 -13.992 1.00 0.00 H new ATOM 0 HE1 TYR A 110 36.079 -3.005 -13.333 1.00 0.00 H new ATOM 0 HE2 TYR A 110 32.092 -3.719 -14.789 1.00 0.00 H new ATOM 0 HH TYR A 110 33.251 -1.466 -14.087 1.00 0.00 H new ATOM 372 N GLY A 111 34.389 -10.189 -12.466 1.00 0.00 N ATOM 373 CA GLY A 111 34.452 -11.456 -11.755 1.00 0.00 C ATOM 374 C GLY A 111 33.377 -11.482 -10.669 1.00 0.00 C ATOM 375 O GLY A 111 32.852 -10.432 -10.297 1.00 0.00 O ATOM 0 H GLY A 111 33.440 -9.874 -12.666 1.00 0.00 H new ATOM 0 HA2 GLY A 111 34.303 -12.283 -12.449 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.438 -11.587 -11.309 1.00 0.00 H new ATOM 379 N PRO A 112 33.045 -12.676 -10.150 1.00 0.00 N ATOM 380 CA PRO A 112 32.057 -12.818 -9.102 1.00 0.00 C ATOM 381 C PRO A 112 32.563 -12.177 -7.805 1.00 0.00 C ATOM 382 O PRO A 112 33.755 -11.910 -7.667 1.00 0.00 O ATOM 383 CB PRO A 112 31.846 -14.327 -8.937 1.00 0.00 C ATOM 384 CG PRO A 112 32.951 -15.017 -9.748 1.00 0.00 C ATOM 385 CD PRO A 112 33.631 -13.928 -10.579 1.00 0.00 C ATOM 0 HA PRO A 112 31.121 -12.317 -9.348 1.00 0.00 H new ATOM 0 HB2 PRO A 112 31.901 -14.613 -7.887 1.00 0.00 H new ATOM 0 HB3 PRO A 112 30.860 -14.622 -9.297 1.00 0.00 H new ATOM 0 HG2 PRO A 112 33.668 -15.505 -9.088 1.00 0.00 H new ATOM 0 HG3 PRO A 112 32.533 -15.791 -10.392 1.00 0.00 H new ATOM 0 HD2 PRO A 112 34.709 -13.930 -10.418 1.00 0.00 H new ATOM 0 HD3 PRO A 112 33.468 -14.091 -11.644 1.00 0.00 H new ATOM 393 N LYS A 113 31.642 -11.938 -6.859 1.00 0.00 N ATOM 394 CA LYS A 113 31.962 -11.337 -5.560 1.00 0.00 C ATOM 395 C LYS A 113 32.441 -9.889 -5.727 1.00 0.00 C ATOM 396 O LYS A 113 33.255 -9.409 -4.940 1.00 0.00 O ATOM 397 CB LYS A 113 33.024 -12.167 -4.818 1.00 0.00 C ATOM 398 CG LYS A 113 32.690 -13.667 -4.850 1.00 0.00 C ATOM 399 CD LYS A 113 31.277 -13.918 -4.311 1.00 0.00 C ATOM 400 CE LYS A 113 31.084 -15.419 -4.077 1.00 0.00 C ATOM 401 NZ LYS A 113 29.685 -15.727 -3.734 1.00 0.00 N ATOM 0 H LYS A 113 30.653 -12.157 -6.976 1.00 0.00 H new ATOM 0 HA LYS A 113 31.049 -11.331 -4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 113 34.000 -12.001 -5.273 1.00 0.00 H new ATOM 0 HB3 LYS A 113 33.093 -11.830 -3.784 1.00 0.00 H new ATOM 0 HG2 LYS A 113 32.767 -14.040 -5.871 1.00 0.00 H new ATOM 0 HG3 LYS A 113 33.416 -14.219 -4.253 1.00 0.00 H new ATOM 0 HD2 LYS A 113 31.128 -13.371 -3.380 1.00 0.00 H new ATOM 0 HD3 LYS A 113 30.535 -13.550 -5.019 1.00 0.00 H new ATOM 0 HE2 LYS A 113 31.372 -15.970 -4.973 1.00 0.00 H new ATOM 0 HE3 LYS A 113 31.741 -15.752 -3.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 29.647 -16.619 -3.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 29.293 -14.959 -3.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 29.126 -15.821 -4.606 1.00 0.00 H new ATOM 415 N ARG A 114 31.924 -9.197 -6.747 1.00 0.00 N ATOM 416 CA ARG A 114 32.259 -7.796 -7.006 1.00 0.00 C ATOM 417 C ARG A 114 30.964 -7.031 -7.268 1.00 0.00 C ATOM 418 O ARG A 114 30.885 -6.212 -8.182 1.00 0.00 O ATOM 419 CB ARG A 114 33.204 -7.701 -8.211 1.00 0.00 C ATOM 420 CG ARG A 114 34.513 -8.439 -7.912 1.00 0.00 C ATOM 421 CD ARG A 114 35.431 -8.365 -9.134 1.00 0.00 C ATOM 422 NE ARG A 114 36.638 -9.181 -8.943 1.00 0.00 N ATOM 423 CZ ARG A 114 37.685 -8.792 -8.192 1.00 0.00 C ATOM 424 NH1 ARG A 114 37.659 -7.616 -7.549 1.00 0.00 N ATOM 425 NH2 ARG A 114 38.758 -9.586 -8.085 1.00 0.00 N ATOM 0 H ARG A 114 31.262 -9.593 -7.415 1.00 0.00 H new ATOM 0 HA ARG A 114 32.768 -7.361 -6.146 1.00 0.00 H new ATOM 0 HB2 ARG A 114 32.728 -8.132 -9.092 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.411 -6.655 -8.440 1.00 0.00 H new ATOM 0 HG2 ARG A 114 35.005 -7.994 -7.047 1.00 0.00 H new ATOM 0 HG3 ARG A 114 34.307 -9.480 -7.661 1.00 0.00 H new ATOM 0 HD2 ARG A 114 34.893 -8.708 -10.018 1.00 0.00 H new ATOM 0 HD3 ARG A 114 35.715 -7.329 -9.317 1.00 0.00 H new ATOM 0 HE ARG A 114 36.685 -10.090 -9.404 1.00 0.00 H new ATOM 0 HH11 ARG A 114 36.842 -7.010 -7.627 1.00 0.00 H new ATOM 0 HH12 ARG A 114 38.456 -7.327 -6.982 1.00 0.00 H new ATOM 0 HH21 ARG A 114 38.780 -10.482 -8.572 1.00 0.00 H new ATOM 0 HH22 ARG A 114 39.553 -9.295 -7.517 1.00 0.00 H new ATOM 439 N TRP A 115 29.945 -7.324 -6.458 1.00 0.00 N ATOM 440 CA TRP A 115 28.620 -6.746 -6.612 1.00 0.00 C ATOM 441 C TRP A 115 28.630 -5.241 -6.380 1.00 0.00 C ATOM 442 O TRP A 115 27.777 -4.538 -6.908 1.00 0.00 O ATOM 443 CB TRP A 115 27.674 -7.470 -5.657 1.00 0.00 C ATOM 444 CG TRP A 115 27.735 -8.952 -5.821 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.046 -9.848 -4.869 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.538 -9.729 -7.035 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.072 -11.122 -5.386 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.771 -11.106 -6.738 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.198 -9.409 -8.370 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.686 -12.103 -7.712 1.00 0.00 C ATOM 451 CZ3 TRP A 115 27.106 -10.410 -9.351 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.363 -11.748 -9.027 1.00 0.00 C ATOM 0 H TRP A 115 30.022 -7.973 -5.675 1.00 0.00 H new ATOM 0 HA TRP A 115 28.274 -6.881 -7.637 1.00 0.00 H new ATOM 0 HB2 TRP A 115 27.927 -7.209 -4.630 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.654 -7.128 -5.830 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.248 -9.601 -3.837 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.284 -11.963 -4.848 1.00 0.00 H new ATOM 0 HE3 TRP A 115 27.006 -8.381 -8.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 27.867 -13.136 -7.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.835 -10.146 -10.363 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.312 -12.507 -9.793 1.00 0.00 H new ATOM 463 N SER A 116 29.592 -4.738 -5.606 1.00 0.00 N ATOM 464 CA SER A 116 29.696 -3.312 -5.356 1.00 0.00 C ATOM 465 C SER A 116 30.056 -2.581 -6.653 1.00 0.00 C ATOM 466 O SER A 116 29.633 -1.446 -6.863 1.00 0.00 O ATOM 467 CB SER A 116 30.751 -3.067 -4.276 1.00 0.00 C ATOM 468 OG SER A 116 31.937 -3.762 -4.603 1.00 0.00 O ATOM 0 H SER A 116 30.306 -5.301 -5.145 1.00 0.00 H new ATOM 0 HA SER A 116 28.739 -2.925 -5.005 1.00 0.00 H new ATOM 0 HB2 SER A 116 30.955 -2.000 -4.189 1.00 0.00 H new ATOM 0 HB3 SER A 116 30.378 -3.400 -3.307 1.00 0.00 H new ATOM 0 HG SER A 116 32.612 -3.602 -3.910 1.00 0.00 H new ATOM 474 N VAL A 117 30.838 -3.239 -7.521 1.00 0.00 N ATOM 475 CA VAL A 117 31.249 -2.661 -8.791 1.00 0.00 C ATOM 476 C VAL A 117 30.183 -2.945 -9.849 1.00 0.00 C ATOM 477 O VAL A 117 29.759 -2.041 -10.565 1.00 0.00 O ATOM 478 CB VAL A 117 32.605 -3.257 -9.204 1.00 0.00 C ATOM 479 CG1 VAL A 117 33.061 -2.645 -10.531 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.652 -2.962 -8.125 1.00 0.00 C ATOM 0 H VAL A 117 31.197 -4.180 -7.356 1.00 0.00 H new ATOM 0 HA VAL A 117 31.358 -1.581 -8.693 1.00 0.00 H new ATOM 0 HB VAL A 117 32.496 -4.335 -9.321 1.00 0.00 H new ATOM 0 HG11 VAL A 117 34.022 -3.072 -10.817 1.00 0.00 H new ATOM 0 HG12 VAL A 117 32.323 -2.861 -11.304 1.00 0.00 H new ATOM 0 HG13 VAL A 117 33.163 -1.566 -10.418 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.611 -3.386 -8.423 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.755 -1.884 -8.003 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.336 -3.406 -7.181 1.00 0.00 H new ATOM 490 N ILE A 118 29.754 -4.208 -9.944 1.00 0.00 N ATOM 491 CA ILE A 118 28.757 -4.624 -10.922 1.00 0.00 C ATOM 492 C ILE A 118 27.469 -3.809 -10.750 1.00 0.00 C ATOM 493 O ILE A 118 26.908 -3.334 -11.736 1.00 0.00 O ATOM 494 CB ILE A 118 28.495 -6.131 -10.764 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.752 -6.918 -11.180 1.00 0.00 C ATOM 496 CG2 ILE A 118 27.310 -6.554 -11.644 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.725 -8.319 -10.568 1.00 0.00 C ATOM 0 H ILE A 118 30.089 -4.963 -9.346 1.00 0.00 H new ATOM 0 HA ILE A 118 29.128 -4.438 -11.930 1.00 0.00 H new ATOM 0 HB ILE A 118 28.258 -6.344 -9.722 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.802 -6.989 -12.267 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.647 -6.388 -10.853 1.00 0.00 H new ATOM 0 HG21 ILE A 118 27.132 -7.623 -11.525 1.00 0.00 H new ATOM 0 HG22 ILE A 118 26.419 -6.002 -11.344 1.00 0.00 H new ATOM 0 HG23 ILE A 118 27.537 -6.338 -12.688 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.619 -8.865 -10.870 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.697 -8.241 -9.481 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.840 -8.851 -10.916 1.00 0.00 H new ATOM 509 N ALA A 119 26.999 -3.642 -9.501 1.00 0.00 N ATOM 510 CA ALA A 119 25.777 -2.888 -9.235 1.00 0.00 C ATOM 511 C ALA A 119 25.938 -1.445 -9.711 1.00 0.00 C ATOM 512 O ALA A 119 24.990 -0.848 -10.216 1.00 0.00 O ATOM 513 CB ALA A 119 25.461 -2.927 -7.741 1.00 0.00 C ATOM 0 H ALA A 119 27.450 -4.020 -8.668 1.00 0.00 H new ATOM 0 HA ALA A 119 24.949 -3.341 -9.780 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.549 -2.363 -7.547 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.323 -3.961 -7.425 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.286 -2.485 -7.183 1.00 0.00 H new ATOM 519 N LYS A 120 27.146 -0.890 -9.553 1.00 0.00 N ATOM 520 CA LYS A 120 27.437 0.474 -9.975 1.00 0.00 C ATOM 521 C LYS A 120 27.208 0.631 -11.482 1.00 0.00 C ATOM 522 O LYS A 120 26.959 1.740 -11.953 1.00 0.00 O ATOM 523 CB LYS A 120 28.892 0.817 -9.616 1.00 0.00 C ATOM 524 CG LYS A 120 28.929 2.021 -8.675 1.00 0.00 C ATOM 525 CD LYS A 120 30.381 2.327 -8.300 1.00 0.00 C ATOM 526 CE LYS A 120 30.442 3.629 -7.499 1.00 0.00 C ATOM 527 NZ LYS A 120 31.822 3.925 -7.073 1.00 0.00 N ATOM 0 H LYS A 120 27.939 -1.374 -9.132 1.00 0.00 H new ATOM 0 HA LYS A 120 26.766 1.160 -9.458 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.370 -0.040 -9.142 1.00 0.00 H new ATOM 0 HB3 LYS A 120 29.457 1.036 -10.522 1.00 0.00 H new ATOM 0 HG2 LYS A 120 28.476 2.887 -9.157 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.346 1.814 -7.778 1.00 0.00 H new ATOM 0 HD2 LYS A 120 30.796 1.508 -7.713 1.00 0.00 H new ATOM 0 HD3 LYS A 120 30.989 2.414 -9.201 1.00 0.00 H new ATOM 0 HE2 LYS A 120 30.061 4.451 -8.105 1.00 0.00 H new ATOM 0 HE3 LYS A 120 29.796 3.552 -6.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 31.835 4.813 -6.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 32.175 3.150 -6.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 32.431 4.021 -7.911 1.00 0.00 H new ATOM 541 N HIS A 121 27.297 -0.475 -12.236 1.00 0.00 N ATOM 542 CA HIS A 121 27.121 -0.449 -13.683 1.00 0.00 C ATOM 543 C HIS A 121 25.728 -0.953 -14.074 1.00 0.00 C ATOM 544 O HIS A 121 25.431 -1.060 -15.263 1.00 0.00 O ATOM 545 CB HIS A 121 28.206 -1.312 -14.327 1.00 0.00 C ATOM 546 CG HIS A 121 29.582 -0.997 -13.802 1.00 0.00 C ATOM 547 ND1 HIS A 121 30.049 0.303 -13.640 1.00 0.00 N ATOM 548 CD2 HIS A 121 30.613 -1.795 -13.384 1.00 0.00 C ATOM 549 CE1 HIS A 121 31.300 0.207 -13.148 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.706 -1.049 -12.972 1.00 0.00 N ATOM 0 H HIS A 121 27.492 -1.402 -11.857 1.00 0.00 H new ATOM 0 HA HIS A 121 27.210 0.577 -14.039 1.00 0.00 H new ATOM 0 HB2 HIS A 121 27.984 -2.364 -14.146 1.00 0.00 H new ATOM 0 HB3 HIS A 121 28.190 -1.164 -15.407 1.00 0.00 H new ATOM 0 HD1 HIS A 121 29.543 1.163 -13.852 1.00 0.00 H new ATOM 0 HD2 HIS A 121 30.579 -2.874 -13.376 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.914 1.066 -12.919 1.00 0.00 H new ATOM 558 N LEU A 122 24.878 -1.261 -13.081 1.00 0.00 N ATOM 559 CA LEU A 122 23.531 -1.753 -13.334 1.00 0.00 C ATOM 560 C LEU A 122 22.517 -0.808 -12.685 1.00 0.00 C ATOM 561 O LEU A 122 21.942 -1.114 -11.639 1.00 0.00 O ATOM 562 CB LEU A 122 23.404 -3.193 -12.799 1.00 0.00 C ATOM 563 CG LEU A 122 22.525 -4.021 -13.743 1.00 0.00 C ATOM 564 CD1 LEU A 122 23.357 -4.498 -14.939 1.00 0.00 C ATOM 565 CD2 LEU A 122 21.976 -5.231 -12.993 1.00 0.00 C ATOM 0 H LEU A 122 25.110 -1.174 -12.092 1.00 0.00 H new ATOM 0 HA LEU A 122 23.327 -1.777 -14.404 1.00 0.00 H new ATOM 0 HB2 LEU A 122 24.391 -3.648 -12.714 1.00 0.00 H new ATOM 0 HB3 LEU A 122 22.970 -3.182 -11.799 1.00 0.00 H new ATOM 0 HG LEU A 122 21.699 -3.405 -14.100 1.00 0.00 H new ATOM 0 HD11 LEU A 122 22.729 -5.086 -15.608 1.00 0.00 H new ATOM 0 HD12 LEU A 122 23.750 -3.635 -15.476 1.00 0.00 H new ATOM 0 HD13 LEU A 122 24.185 -5.113 -14.585 1.00 0.00 H new ATOM 0 HD21 LEU A 122 21.351 -5.821 -13.663 1.00 0.00 H new ATOM 0 HD22 LEU A 122 22.804 -5.844 -12.635 1.00 0.00 H new ATOM 0 HD23 LEU A 122 21.381 -4.894 -12.144 1.00 0.00 H new ATOM 577 N LYS A 123 22.304 0.354 -13.321 1.00 0.00 N ATOM 578 CA LYS A 123 21.370 1.353 -12.823 1.00 0.00 C ATOM 579 C LYS A 123 19.966 0.758 -12.779 1.00 0.00 C ATOM 580 O LYS A 123 19.313 0.625 -13.812 1.00 0.00 O ATOM 581 CB LYS A 123 21.401 2.590 -13.732 1.00 0.00 C ATOM 582 CG LYS A 123 22.539 3.533 -13.319 1.00 0.00 C ATOM 583 CD LYS A 123 23.898 2.932 -13.696 1.00 0.00 C ATOM 584 CE LYS A 123 24.971 4.023 -13.632 1.00 0.00 C ATOM 585 NZ LYS A 123 26.296 3.484 -13.978 1.00 0.00 N ATOM 0 H LYS A 123 22.774 0.618 -14.187 1.00 0.00 H new ATOM 0 HA LYS A 123 21.658 1.654 -11.816 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.534 2.283 -14.769 1.00 0.00 H new ATOM 0 HB3 LYS A 123 20.447 3.115 -13.675 1.00 0.00 H new ATOM 0 HG2 LYS A 123 22.414 4.499 -13.808 1.00 0.00 H new ATOM 0 HG3 LYS A 123 22.499 3.712 -12.244 1.00 0.00 H new ATOM 0 HD2 LYS A 123 24.150 2.118 -13.016 1.00 0.00 H new ATOM 0 HD3 LYS A 123 23.855 2.507 -14.699 1.00 0.00 H new ATOM 0 HE2 LYS A 123 24.714 4.831 -14.317 1.00 0.00 H new ATOM 0 HE3 LYS A 123 24.999 4.451 -12.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 26.954 4.269 -14.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 26.653 2.908 -13.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 26.219 2.894 -14.831 1.00 0.00 H new ATOM 599 N GLY A 124 19.513 0.399 -11.575 1.00 0.00 N ATOM 600 CA GLY A 124 18.204 -0.197 -11.382 1.00 0.00 C ATOM 601 C GLY A 124 18.255 -1.206 -10.240 1.00 0.00 C ATOM 602 O GLY A 124 17.268 -1.380 -9.525 1.00 0.00 O ATOM 0 H GLY A 124 20.047 0.516 -10.714 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.471 0.579 -11.161 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.880 -0.689 -12.299 1.00 0.00 H new ATOM 606 N ARG A 125 19.409 -1.873 -10.071 1.00 0.00 N ATOM 607 CA ARG A 125 19.590 -2.867 -9.021 1.00 0.00 C ATOM 608 C ARG A 125 20.619 -2.385 -8.006 1.00 0.00 C ATOM 609 O ARG A 125 21.189 -1.303 -8.145 1.00 0.00 O ATOM 610 CB ARG A 125 20.068 -4.192 -9.636 1.00 0.00 C ATOM 611 CG ARG A 125 19.084 -4.702 -10.691 1.00 0.00 C ATOM 612 CD ARG A 125 17.673 -4.810 -10.100 1.00 0.00 C ATOM 613 NE ARG A 125 16.917 -5.956 -10.641 1.00 0.00 N ATOM 614 CZ ARG A 125 16.662 -6.142 -11.951 1.00 0.00 C ATOM 615 NH1 ARG A 125 17.539 -5.774 -12.876 1.00 0.00 N ATOM 616 NH2 ARG A 125 15.517 -6.707 -12.333 1.00 0.00 N ATOM 0 H ARG A 125 20.232 -1.734 -10.658 1.00 0.00 H new ATOM 0 HA ARG A 125 18.635 -3.018 -8.518 1.00 0.00 H new ATOM 0 HB2 ARG A 125 21.050 -4.052 -10.089 1.00 0.00 H new ATOM 0 HB3 ARG A 125 20.183 -4.939 -8.851 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.076 -4.026 -11.546 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.407 -5.676 -11.058 1.00 0.00 H new ATOM 0 HD2 ARG A 125 17.743 -4.905 -9.016 1.00 0.00 H new ATOM 0 HD3 ARG A 125 17.126 -3.890 -10.305 1.00 0.00 H new ATOM 0 HE ARG A 125 16.565 -6.651 -9.982 1.00 0.00 H new ATOM 0 HH11 ARG A 125 18.421 -5.343 -12.600 1.00 0.00 H new ATOM 0 HH12 ARG A 125 17.331 -5.922 -13.864 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.834 -6.998 -11.634 1.00 0.00 H new ATOM 0 HH22 ARG A 125 15.324 -6.848 -13.325 1.00 0.00 H new ATOM 630 N ILE A 126 20.854 -3.219 -6.990 1.00 0.00 N ATOM 631 CA ILE A 126 21.837 -2.959 -5.955 1.00 0.00 C ATOM 632 C ILE A 126 22.647 -4.238 -5.733 1.00 0.00 C ATOM 633 O ILE A 126 22.388 -5.259 -6.378 1.00 0.00 O ATOM 634 CB ILE A 126 21.136 -2.503 -4.662 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.053 -3.517 -4.265 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.502 -1.124 -4.883 1.00 0.00 C ATOM 637 CD1 ILE A 126 19.544 -3.218 -2.852 1.00 0.00 C ATOM 0 H ILE A 126 20.357 -4.102 -6.869 1.00 0.00 H new ATOM 0 HA ILE A 126 22.510 -2.157 -6.258 1.00 0.00 H new ATOM 0 HB ILE A 126 21.870 -2.440 -3.859 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.226 -3.474 -4.974 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.458 -4.528 -4.308 1.00 0.00 H new ATOM 0 HG21 ILE A 126 20.006 -0.801 -3.968 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.277 -0.405 -5.148 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.772 -1.184 -5.690 1.00 0.00 H new ATOM 0 HD11 ILE A 126 18.777 -3.943 -2.581 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.371 -3.284 -2.146 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.121 -2.214 -2.822 1.00 0.00 H new ATOM 649 N GLY A 127 23.627 -4.183 -4.829 1.00 0.00 N ATOM 650 CA GLY A 127 24.490 -5.320 -4.546 1.00 0.00 C ATOM 651 C GLY A 127 23.681 -6.571 -4.186 1.00 0.00 C ATOM 652 O GLY A 127 24.077 -7.679 -4.538 1.00 0.00 O ATOM 0 H GLY A 127 23.840 -3.352 -4.278 1.00 0.00 H new ATOM 0 HA2 GLY A 127 25.114 -5.528 -5.415 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.161 -5.072 -3.724 1.00 0.00 H new ATOM 656 N LYS A 128 22.555 -6.398 -3.481 1.00 0.00 N ATOM 657 CA LYS A 128 21.741 -7.519 -3.041 1.00 0.00 C ATOM 658 C LYS A 128 21.069 -8.184 -4.237 1.00 0.00 C ATOM 659 O LYS A 128 21.149 -9.398 -4.400 1.00 0.00 O ATOM 660 CB LYS A 128 20.696 -7.012 -2.039 1.00 0.00 C ATOM 661 CG LYS A 128 19.847 -8.180 -1.528 1.00 0.00 C ATOM 662 CD LYS A 128 18.924 -7.690 -0.411 1.00 0.00 C ATOM 663 CE LYS A 128 18.034 -8.841 0.063 1.00 0.00 C ATOM 664 NZ LYS A 128 17.180 -8.425 1.188 1.00 0.00 N ATOM 0 H LYS A 128 22.193 -5.485 -3.206 1.00 0.00 H new ATOM 0 HA LYS A 128 22.370 -8.264 -2.555 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.192 -6.519 -1.203 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.057 -6.268 -2.514 1.00 0.00 H new ATOM 0 HG2 LYS A 128 19.258 -8.599 -2.344 1.00 0.00 H new ATOM 0 HG3 LYS A 128 20.492 -8.977 -1.158 1.00 0.00 H new ATOM 0 HD2 LYS A 128 19.515 -7.308 0.421 1.00 0.00 H new ATOM 0 HD3 LYS A 128 18.308 -6.865 -0.770 1.00 0.00 H new ATOM 0 HE2 LYS A 128 17.411 -9.186 -0.762 1.00 0.00 H new ATOM 0 HE3 LYS A 128 18.655 -9.683 0.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 16.588 -9.225 1.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 17.777 -8.119 1.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 16.571 -7.637 0.889 1.00 0.00 H new ATOM 678 N GLN A 129 20.404 -7.382 -5.067 1.00 0.00 N ATOM 679 CA GLN A 129 19.688 -7.886 -6.225 1.00 0.00 C ATOM 680 C GLN A 129 20.639 -8.615 -7.174 1.00 0.00 C ATOM 681 O GLN A 129 20.303 -9.687 -7.672 1.00 0.00 O ATOM 682 CB GLN A 129 18.992 -6.719 -6.934 1.00 0.00 C ATOM 683 CG GLN A 129 17.537 -6.620 -6.469 1.00 0.00 C ATOM 684 CD GLN A 129 17.434 -6.202 -5.005 1.00 0.00 C ATOM 685 OE1 GLN A 129 17.666 -7.006 -4.107 1.00 0.00 O ATOM 686 NE2 GLN A 129 17.076 -4.942 -4.766 1.00 0.00 N ATOM 0 H GLN A 129 20.350 -6.370 -4.952 1.00 0.00 H new ATOM 0 HA GLN A 129 18.936 -8.605 -5.900 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.516 -5.787 -6.719 1.00 0.00 H new ATOM 0 HB3 GLN A 129 19.029 -6.864 -8.014 1.00 0.00 H new ATOM 0 HG2 GLN A 129 17.006 -5.899 -7.090 1.00 0.00 H new ATOM 0 HG3 GLN A 129 17.046 -7.583 -6.607 1.00 0.00 H new ATOM 0 HE21 GLN A 129 16.893 -4.308 -5.543 1.00 0.00 H new ATOM 0 HE22 GLN A 129 16.985 -4.611 -3.805 1.00 0.00 H new ATOM 695 N CYS A 130 21.821 -8.039 -7.429 1.00 0.00 N ATOM 696 CA CYS A 130 22.792 -8.659 -8.326 1.00 0.00 C ATOM 697 C CYS A 130 23.297 -9.967 -7.715 1.00 0.00 C ATOM 698 O CYS A 130 23.309 -11.001 -8.383 1.00 0.00 O ATOM 699 CB CYS A 130 23.961 -7.702 -8.586 1.00 0.00 C ATOM 700 SG CYS A 130 23.343 -6.209 -9.404 1.00 0.00 S ATOM 0 H CYS A 130 22.122 -7.151 -7.028 1.00 0.00 H new ATOM 0 HA CYS A 130 22.309 -8.878 -9.279 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.448 -7.441 -7.646 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.712 -8.188 -9.209 1.00 0.00 H new ATOM 0 HG CYS A 130 22.806 -5.421 -8.521 1.00 0.00 H new ATOM 706 N ARG A 131 23.711 -9.915 -6.440 1.00 0.00 N ATOM 707 CA ARG A 131 24.218 -11.084 -5.736 1.00 0.00 C ATOM 708 C ARG A 131 23.199 -12.217 -5.790 1.00 0.00 C ATOM 709 O ARG A 131 23.564 -13.368 -6.031 1.00 0.00 O ATOM 710 CB ARG A 131 24.528 -10.697 -4.284 1.00 0.00 C ATOM 711 CG ARG A 131 25.180 -11.875 -3.537 1.00 0.00 C ATOM 712 CD ARG A 131 24.186 -12.522 -2.556 1.00 0.00 C ATOM 713 NE ARG A 131 23.467 -13.645 -3.177 1.00 0.00 N ATOM 714 CZ ARG A 131 22.577 -14.404 -2.509 1.00 0.00 C ATOM 715 NH1 ARG A 131 22.207 -14.066 -1.267 1.00 0.00 N ATOM 716 NH2 ARG A 131 22.060 -15.499 -3.084 1.00 0.00 N ATOM 0 H ARG A 131 23.701 -9.064 -5.878 1.00 0.00 H new ATOM 0 HA ARG A 131 25.132 -11.434 -6.216 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.194 -9.834 -4.266 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.610 -10.401 -3.777 1.00 0.00 H new ATOM 0 HG2 ARG A 131 25.525 -12.619 -4.255 1.00 0.00 H new ATOM 0 HG3 ARG A 131 26.058 -11.525 -2.994 1.00 0.00 H new ATOM 0 HD2 ARG A 131 24.721 -12.875 -1.674 1.00 0.00 H new ATOM 0 HD3 ARG A 131 23.470 -11.774 -2.216 1.00 0.00 H new ATOM 0 HE ARG A 131 23.651 -13.859 -4.157 1.00 0.00 H new ATOM 0 HH11 ARG A 131 22.599 -13.234 -0.827 1.00 0.00 H new ATOM 0 HH12 ARG A 131 21.533 -14.641 -0.761 1.00 0.00 H new ATOM 0 HH21 ARG A 131 22.340 -15.759 -4.030 1.00 0.00 H new ATOM 0 HH22 ARG A 131 21.386 -16.072 -2.576 1.00 0.00 H new ATOM 730 N GLU A 132 21.923 -11.897 -5.557 1.00 0.00 N ATOM 731 CA GLU A 132 20.870 -12.893 -5.565 1.00 0.00 C ATOM 732 C GLU A 132 20.655 -13.422 -6.974 1.00 0.00 C ATOM 733 O GLU A 132 20.828 -14.612 -7.199 1.00 0.00 O ATOM 734 CB GLU A 132 19.583 -12.289 -5.001 1.00 0.00 C ATOM 735 CG GLU A 132 19.686 -12.207 -3.475 1.00 0.00 C ATOM 736 CD GLU A 132 18.494 -11.468 -2.874 1.00 0.00 C ATOM 737 OE1 GLU A 132 17.597 -11.086 -3.660 1.00 0.00 O ATOM 738 OE2 GLU A 132 18.501 -11.298 -1.638 1.00 0.00 O ATOM 0 H GLU A 132 21.602 -10.949 -5.361 1.00 0.00 H new ATOM 0 HA GLU A 132 21.163 -13.732 -4.934 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.420 -11.296 -5.419 1.00 0.00 H new ATOM 0 HB3 GLU A 132 18.726 -12.899 -5.286 1.00 0.00 H new ATOM 0 HG2 GLU A 132 19.740 -13.213 -3.058 1.00 0.00 H new ATOM 0 HG3 GLU A 132 20.609 -11.697 -3.198 1.00 0.00 H new ATOM 745 N ARG A 133 20.281 -12.544 -7.920 1.00 0.00 N ATOM 746 CA ARG A 133 20.035 -12.951 -9.304 1.00 0.00 C ATOM 747 C ARG A 133 21.082 -13.965 -9.743 1.00 0.00 C ATOM 748 O ARG A 133 20.754 -14.965 -10.382 1.00 0.00 O ATOM 749 CB ARG A 133 20.075 -11.716 -10.220 1.00 0.00 C ATOM 750 CG ARG A 133 19.709 -12.097 -11.666 1.00 0.00 C ATOM 751 CD ARG A 133 18.247 -12.542 -11.743 1.00 0.00 C ATOM 752 NE ARG A 133 17.822 -12.730 -13.136 1.00 0.00 N ATOM 753 CZ ARG A 133 16.680 -13.353 -13.485 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.958 -14.000 -12.568 1.00 0.00 N ATOM 755 NH2 ARG A 133 16.262 -13.322 -14.754 1.00 0.00 N ATOM 0 H ARG A 133 20.144 -11.548 -7.746 1.00 0.00 H new ATOM 0 HA ARG A 133 19.051 -13.414 -9.373 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.381 -10.961 -9.851 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.070 -11.272 -10.197 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.872 -11.245 -12.326 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.359 -12.899 -12.014 1.00 0.00 H new ATOM 0 HD2 ARG A 133 18.118 -13.473 -11.192 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.612 -11.797 -11.263 1.00 0.00 H new ATOM 0 HE ARG A 133 18.423 -12.370 -13.878 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.270 -14.024 -11.597 1.00 0.00 H new ATOM 0 HH12 ARG A 133 15.094 -14.470 -12.838 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.808 -12.826 -15.459 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.397 -13.794 -15.018 1.00 0.00 H new ATOM 769 N TRP A 134 22.342 -13.702 -9.395 1.00 0.00 N ATOM 770 CA TRP A 134 23.430 -14.569 -9.763 1.00 0.00 C ATOM 771 C TRP A 134 23.413 -15.865 -8.946 1.00 0.00 C ATOM 772 O TRP A 134 23.235 -16.946 -9.509 1.00 0.00 O ATOM 773 CB TRP A 134 24.752 -13.826 -9.580 1.00 0.00 C ATOM 774 CG TRP A 134 25.837 -14.376 -10.423 1.00 0.00 C ATOM 775 CD1 TRP A 134 26.903 -15.069 -9.996 1.00 0.00 C ATOM 776 CD2 TRP A 134 25.963 -14.313 -11.863 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.686 -15.457 -11.054 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.141 -15.020 -12.247 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.196 -13.733 -12.897 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.519 -15.162 -13.579 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.575 -13.871 -14.232 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.719 -14.601 -14.577 1.00 0.00 C ATOM 0 H TRP A 134 22.622 -12.884 -8.854 1.00 0.00 H new ATOM 0 HA TRP A 134 23.317 -14.849 -10.810 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.609 -12.773 -9.821 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.050 -13.876 -8.533 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.116 -15.291 -8.961 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.550 -15.993 -10.972 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.304 -13.175 -12.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.420 -15.699 -13.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.980 -13.410 -15.007 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.983 -14.730 -15.616 1.00 0.00 H new ATOM 793 N HIS A 135 23.614 -15.763 -7.625 1.00 0.00 N ATOM 794 CA HIS A 135 23.699 -16.936 -6.762 1.00 0.00 C ATOM 795 C HIS A 135 22.306 -17.440 -6.352 1.00 0.00 C ATOM 796 O HIS A 135 22.036 -17.622 -5.165 1.00 0.00 O ATOM 797 CB HIS A 135 24.545 -16.595 -5.531 1.00 0.00 C ATOM 798 CG HIS A 135 25.989 -16.326 -5.873 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.765 -17.208 -6.619 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.830 -15.284 -5.577 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.992 -16.659 -6.719 1.00 0.00 C ATOM 802 NE2 HIS A 135 28.100 -15.481 -6.100 1.00 0.00 N ATOM 0 H HIS A 135 23.720 -14.875 -7.135 1.00 0.00 H new ATOM 0 HA HIS A 135 24.176 -17.745 -7.316 1.00 0.00 H new ATOM 0 HB2 HIS A 135 24.124 -15.719 -5.037 1.00 0.00 H new ATOM 0 HB3 HIS A 135 24.492 -17.419 -4.819 1.00 0.00 H new ATOM 0 HD1 HIS A 135 26.463 -18.099 -7.014 1.00 0.00 H new ATOM 0 HD2 HIS A 135 26.539 -14.415 -5.006 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.809 -17.127 -7.249 1.00 0.00 H new ATOM 810 N ASN A 136 21.442 -17.686 -7.342 1.00 0.00 N ATOM 811 CA ASN A 136 20.123 -18.281 -7.122 1.00 0.00 C ATOM 812 C ASN A 136 19.774 -19.128 -8.324 1.00 0.00 C ATOM 813 O ASN A 136 19.775 -20.354 -8.253 1.00 0.00 O ATOM 814 CB ASN A 136 19.042 -17.208 -6.946 1.00 0.00 C ATOM 815 CG ASN A 136 18.883 -16.814 -5.493 1.00 0.00 C ATOM 816 OD1 ASN A 136 18.055 -17.373 -4.781 1.00 0.00 O ATOM 817 ND2 ASN A 136 19.669 -15.852 -5.056 1.00 0.00 N ATOM 0 H ASN A 136 21.640 -17.477 -8.321 1.00 0.00 H new ATOM 0 HA ASN A 136 20.161 -18.879 -6.212 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.301 -16.329 -7.536 1.00 0.00 H new ATOM 0 HB3 ASN A 136 18.092 -17.581 -7.329 1.00 0.00 H new ATOM 0 HD21 ASN A 136 19.604 -15.541 -4.087 1.00 0.00 H new ATOM 0 HD22 ASN A 136 20.342 -15.417 -5.687 1.00 0.00 H new ATOM 824 N HIS A 137 19.464 -18.447 -9.426 1.00 0.00 N ATOM 825 CA HIS A 137 19.059 -19.104 -10.662 1.00 0.00 C ATOM 826 C HIS A 137 19.869 -18.582 -11.856 1.00 0.00 C ATOM 827 O HIS A 137 19.299 -18.140 -12.847 1.00 0.00 O ATOM 828 CB HIS A 137 17.550 -18.888 -10.864 1.00 0.00 C ATOM 829 CG HIS A 137 17.092 -17.511 -10.453 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.074 -17.306 -9.528 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.496 -16.252 -10.816 1.00 0.00 C ATOM 832 CE1 HIS A 137 15.929 -15.973 -9.396 1.00 0.00 C ATOM 833 NE2 HIS A 137 16.769 -15.270 -10.156 1.00 0.00 N ATOM 0 H HIS A 137 19.487 -17.429 -9.485 1.00 0.00 H new ATOM 0 HA HIS A 137 19.260 -20.173 -10.592 1.00 0.00 H new ATOM 0 HB2 HIS A 137 17.303 -19.049 -11.913 1.00 0.00 H new ATOM 0 HB3 HIS A 137 17.001 -19.634 -10.289 1.00 0.00 H new ATOM 0 HD1 HIS A 137 15.540 -18.027 -9.043 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.283 -16.049 -11.528 1.00 0.00 H new ATOM 0 HE1 HIS A 137 15.203 -15.518 -8.738 1.00 0.00 H new ATOM 841 N LEU A 138 21.204 -18.661 -11.760 1.00 0.00 N ATOM 842 CA LEU A 138 22.102 -18.280 -12.852 1.00 0.00 C ATOM 843 C LEU A 138 23.507 -18.809 -12.519 1.00 0.00 C ATOM 844 O LEU A 138 23.624 -19.896 -11.959 1.00 0.00 O ATOM 845 CB LEU A 138 22.076 -16.742 -13.077 1.00 0.00 C ATOM 846 CG LEU A 138 21.919 -16.432 -14.581 1.00 0.00 C ATOM 847 CD1 LEU A 138 20.462 -16.084 -14.904 1.00 0.00 C ATOM 848 CD2 LEU A 138 22.808 -15.251 -14.950 1.00 0.00 C ATOM 0 H LEU A 138 21.687 -18.990 -10.924 1.00 0.00 H new ATOM 0 HA LEU A 138 21.776 -18.723 -13.793 1.00 0.00 H new ATOM 0 HB2 LEU A 138 21.252 -16.298 -12.518 1.00 0.00 H new ATOM 0 HB3 LEU A 138 22.996 -16.295 -12.699 1.00 0.00 H new ATOM 0 HG LEU A 138 22.211 -17.312 -15.154 1.00 0.00 H new ATOM 0 HD11 LEU A 138 20.367 -15.868 -15.968 1.00 0.00 H new ATOM 0 HD12 LEU A 138 19.821 -16.927 -14.646 1.00 0.00 H new ATOM 0 HD13 LEU A 138 20.160 -15.209 -14.328 1.00 0.00 H new ATOM 0 HD21 LEU A 138 22.698 -15.031 -16.012 1.00 0.00 H new ATOM 0 HD22 LEU A 138 22.515 -14.378 -14.366 1.00 0.00 H new ATOM 0 HD23 LEU A 138 23.848 -15.498 -14.736 1.00 0.00 H new ATOM 860 N ASN A 139 24.564 -18.050 -12.859 1.00 0.00 N ATOM 861 CA ASN A 139 25.945 -18.437 -12.577 1.00 0.00 C ATOM 862 C ASN A 139 26.383 -19.586 -13.502 1.00 0.00 C ATOM 863 O ASN A 139 26.722 -20.666 -13.021 1.00 0.00 O ATOM 864 CB ASN A 139 26.080 -18.823 -11.085 1.00 0.00 C ATOM 865 CG ASN A 139 27.523 -18.713 -10.595 1.00 0.00 C ATOM 866 OD1 ASN A 139 27.818 -17.926 -9.701 1.00 0.00 O ATOM 867 ND2 ASN A 139 28.421 -19.505 -11.172 1.00 0.00 N ATOM 0 H ASN A 139 24.478 -17.153 -13.336 1.00 0.00 H new ATOM 0 HA ASN A 139 26.606 -17.593 -12.774 1.00 0.00 H new ATOM 0 HB2 ASN A 139 25.442 -18.175 -10.484 1.00 0.00 H new ATOM 0 HB3 ASN A 139 25.725 -19.843 -10.941 1.00 0.00 H new ATOM 0 HD21 ASN A 139 29.396 -19.472 -10.875 1.00 0.00 H new ATOM 0 HD22 ASN A 139 28.135 -20.146 -11.912 1.00 0.00 H new ATOM 874 N PRO A 140 26.391 -19.361 -14.837 1.00 0.00 N ATOM 875 CA PRO A 140 26.831 -20.359 -15.786 1.00 0.00 C ATOM 876 C PRO A 140 28.352 -20.497 -15.707 1.00 0.00 C ATOM 877 O PRO A 140 28.856 -21.471 -15.153 1.00 0.00 O ATOM 878 CB PRO A 140 26.382 -19.844 -17.157 1.00 0.00 C ATOM 879 CG PRO A 140 26.061 -18.357 -16.972 1.00 0.00 C ATOM 880 CD PRO A 140 25.976 -18.117 -15.462 1.00 0.00 C ATOM 0 HA PRO A 140 26.412 -21.346 -15.589 1.00 0.00 H new ATOM 0 HB2 PRO A 140 27.166 -19.983 -17.901 1.00 0.00 H new ATOM 0 HB3 PRO A 140 25.507 -20.390 -17.510 1.00 0.00 H new ATOM 0 HG2 PRO A 140 26.834 -17.734 -17.421 1.00 0.00 H new ATOM 0 HG3 PRO A 140 25.121 -18.099 -17.460 1.00 0.00 H new ATOM 0 HD2 PRO A 140 26.623 -17.293 -15.160 1.00 0.00 H new ATOM 0 HD3 PRO A 140 24.962 -17.850 -15.165 1.00 0.00 H new ATOM 888 N GLU A 141 29.068 -19.500 -16.265 1.00 0.00 N ATOM 889 CA GLU A 141 30.529 -19.452 -16.272 1.00 0.00 C ATOM 890 C GLU A 141 31.127 -20.848 -16.480 1.00 0.00 C ATOM 891 O GLU A 141 31.912 -21.323 -15.669 1.00 0.00 O ATOM 892 CB GLU A 141 31.023 -18.821 -14.960 1.00 0.00 C ATOM 893 CG GLU A 141 30.265 -17.511 -14.680 1.00 0.00 C ATOM 894 CD GLU A 141 30.208 -16.621 -15.918 1.00 0.00 C ATOM 895 OE1 GLU A 141 31.253 -16.011 -16.228 1.00 0.00 O ATOM 896 OE2 GLU A 141 29.117 -16.570 -16.530 1.00 0.00 O ATOM 0 H GLU A 141 28.635 -18.700 -16.727 1.00 0.00 H new ATOM 0 HA GLU A 141 30.862 -18.836 -17.107 1.00 0.00 H new ATOM 0 HB2 GLU A 141 30.876 -19.518 -14.135 1.00 0.00 H new ATOM 0 HB3 GLU A 141 32.093 -18.624 -15.023 1.00 0.00 H new ATOM 0 HG2 GLU A 141 29.252 -17.740 -14.348 1.00 0.00 H new ATOM 0 HG3 GLU A 141 30.753 -16.974 -13.867 1.00 0.00 H new HETATM 903 N NH2 A 142 30.755 -21.500 -17.575 1.00 0.00 N TER 906 NH2 A 142