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 113 LYS NZ :NH3+ -175:sc= 1.27 (180deg=0) USER MOD Set 1.2: A 135 HIS : no HE2:sc= 0.79 K(o=1.5,f=-6.6!) USER MOD Set 1.3: A 139 ASN : amide:sc= -0.606 X(o=1.5,f=1.7) USER MOD Set 2.1: A 110 TYR OH : rot -139:sc= 0.0481 USER MOD Set 2.2: A 121 HIS : no HE2:sc= -0.57 X(o=-0.52,f=-0.97) USER MOD Set 3.1: A 92 LYS NZ :NH3+ -151:sc= 1.87 (180deg=-0.927!) USER MOD Set 3.2: A 129 GLN : amide:sc= -0.0796 K(o=1.8,f=-7.8!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.239 USER MOD Single : A 97 LYS NZ :NH3+ -173:sc= -0.104 (180deg=-0.201) USER MOD Single : A 101 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.37) USER MOD Single : A 108 GLN : amide:sc= 0.393 X(o=0.39,f=0) USER MOD Single : A 109 LYS NZ :NH3+ -146:sc= 1.14 (180deg=-0.717) USER MOD Single : A 116 SER OG : rot 180:sc= -0.0406 USER MOD Single : A 120 LYS NZ :NH3+ 169:sc= -0.0118 (180deg=-0.226) USER MOD Single : A 123 LYS NZ :NH3+ 161:sc= 1.3 (180deg=0.71) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 CYS SG : rot 83:sc= 0.0371 USER MOD Single : A 136 ASN : amide:sc= 0.826 K(o=0.83,f=-0.14) USER MOD Single : A 137 HIS : no HD1:sc= -0.352 X(o=-0.35,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 90 15.344 -0.753 -7.436 1.00 0.00 N ATOM 2 CA LEU A 90 15.337 -1.288 -6.061 1.00 0.00 C ATOM 3 C LEU A 90 14.384 -2.477 -5.952 1.00 0.00 C ATOM 4 O LEU A 90 14.769 -3.533 -5.456 1.00 0.00 O ATOM 5 CB LEU A 90 14.934 -0.196 -5.061 1.00 0.00 C ATOM 6 CG LEU A 90 16.107 0.768 -4.826 1.00 0.00 C ATOM 7 CD1 LEU A 90 15.573 2.095 -4.281 1.00 0.00 C ATOM 8 CD2 LEU A 90 17.086 0.162 -3.814 1.00 0.00 C ATOM 0 HA LEU A 90 16.345 -1.626 -5.822 1.00 0.00 H new ATOM 0 HB2 LEU A 90 14.072 0.354 -5.440 1.00 0.00 H new ATOM 0 HB3 LEU A 90 14.633 -0.650 -4.117 1.00 0.00 H new ATOM 0 HG LEU A 90 16.625 0.938 -5.770 1.00 0.00 H new ATOM 0 HD11 LEU A 90 16.404 2.780 -4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 90 14.881 2.532 -5.001 1.00 0.00 H new ATOM 0 HD13 LEU A 90 15.053 1.919 -3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 90 17.915 0.851 -3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 90 16.571 -0.014 -2.870 1.00 0.00 H new ATOM 0 HD23 LEU A 90 17.469 -0.783 -4.199 1.00 0.00 H new ATOM 22 N ILE A 91 13.137 -2.295 -6.412 1.00 0.00 N ATOM 23 CA ILE A 91 12.124 -3.340 -6.351 1.00 0.00 C ATOM 24 C ILE A 91 12.638 -4.620 -7.011 1.00 0.00 C ATOM 25 O ILE A 91 13.269 -4.573 -8.070 1.00 0.00 O ATOM 26 CB ILE A 91 10.842 -2.856 -7.053 1.00 0.00 C ATOM 27 CG1 ILE A 91 10.325 -1.546 -6.418 1.00 0.00 C ATOM 28 CG2 ILE A 91 9.763 -3.944 -6.959 1.00 0.00 C ATOM 29 CD1 ILE A 91 10.191 -1.679 -4.896 1.00 0.00 C ATOM 0 H ILE A 91 12.812 -1.424 -6.832 1.00 0.00 H new ATOM 0 HA ILE A 91 11.901 -3.559 -5.307 1.00 0.00 H new ATOM 0 HB ILE A 91 11.073 -2.659 -8.100 1.00 0.00 H new ATOM 0 HG12 ILE A 91 11.008 -0.730 -6.655 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.358 -1.287 -6.849 1.00 0.00 H new ATOM 0 HG21 ILE A 91 8.856 -3.601 -7.456 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.120 -4.853 -7.443 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.546 -4.152 -5.911 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.825 -0.740 -4.480 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.488 -2.479 -4.661 1.00 0.00 H new ATOM 0 HD13 ILE A 91 11.164 -1.913 -4.464 1.00 0.00 H new ATOM 41 N LYS A 92 12.358 -5.764 -6.377 1.00 0.00 N ATOM 42 CA LYS A 92 12.766 -7.058 -6.892 1.00 0.00 C ATOM 43 C LYS A 92 11.781 -7.504 -7.963 1.00 0.00 C ATOM 44 O LYS A 92 10.958 -8.390 -7.739 1.00 0.00 O ATOM 45 CB LYS A 92 12.831 -8.053 -5.735 1.00 0.00 C ATOM 46 CG LYS A 92 13.429 -9.389 -6.205 1.00 0.00 C ATOM 47 CD LYS A 92 13.095 -10.500 -5.198 1.00 0.00 C ATOM 48 CE LYS A 92 13.735 -10.209 -3.834 1.00 0.00 C ATOM 49 NZ LYS A 92 15.203 -10.125 -3.937 1.00 0.00 N ATOM 0 H LYS A 92 11.844 -5.810 -5.497 1.00 0.00 H new ATOM 0 HA LYS A 92 13.754 -6.999 -7.348 1.00 0.00 H new ATOM 0 HB2 LYS A 92 13.436 -7.641 -4.927 1.00 0.00 H new ATOM 0 HB3 LYS A 92 11.831 -8.217 -5.332 1.00 0.00 H new ATOM 0 HG2 LYS A 92 13.034 -9.647 -7.188 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.510 -9.296 -6.310 1.00 0.00 H new ATOM 0 HD2 LYS A 92 12.014 -10.584 -5.087 1.00 0.00 H new ATOM 0 HD3 LYS A 92 13.452 -11.458 -5.575 1.00 0.00 H new ATOM 0 HE2 LYS A 92 13.342 -9.272 -3.438 1.00 0.00 H new ATOM 0 HE3 LYS A 92 13.462 -10.993 -3.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 15.632 -10.416 -3.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 15.534 -10.753 -4.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 15.480 -9.146 -4.152 1.00 0.00 H new ATOM 63 N GLY A 93 11.878 -6.881 -9.132 1.00 0.00 N ATOM 64 CA GLY A 93 11.024 -7.214 -10.258 1.00 0.00 C ATOM 65 C GLY A 93 11.465 -8.550 -10.857 1.00 0.00 C ATOM 66 O GLY A 93 12.455 -9.128 -10.410 1.00 0.00 O ATOM 0 H GLY A 93 12.548 -6.136 -9.322 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.985 -7.274 -9.934 1.00 0.00 H new ATOM 0 HA3 GLY A 93 11.078 -6.430 -11.013 1.00 0.00 H new ATOM 70 N PRO A 94 10.737 -9.044 -11.873 1.00 0.00 N ATOM 71 CA PRO A 94 11.046 -10.307 -12.523 1.00 0.00 C ATOM 72 C PRO A 94 12.311 -10.220 -13.381 1.00 0.00 C ATOM 73 O PRO A 94 12.658 -11.182 -14.066 1.00 0.00 O ATOM 74 CB PRO A 94 9.825 -10.621 -13.386 1.00 0.00 C ATOM 75 CG PRO A 94 8.991 -9.335 -13.457 1.00 0.00 C ATOM 76 CD PRO A 94 9.568 -8.381 -12.411 1.00 0.00 C ATOM 0 HA PRO A 94 11.247 -11.087 -11.789 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.128 -10.941 -14.383 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.244 -11.435 -12.953 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.042 -8.895 -14.453 1.00 0.00 H new ATOM 0 HG3 PRO A 94 7.940 -9.543 -13.254 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.833 -7.424 -12.859 1.00 0.00 H new ATOM 0 HD3 PRO A 94 8.840 -8.175 -11.626 1.00 0.00 H new ATOM 84 N TRP A 95 12.984 -9.067 -13.335 1.00 0.00 N ATOM 85 CA TRP A 95 14.201 -8.808 -14.109 1.00 0.00 C ATOM 86 C TRP A 95 13.894 -8.889 -15.610 1.00 0.00 C ATOM 87 O TRP A 95 12.763 -9.179 -16.004 1.00 0.00 O ATOM 88 CB TRP A 95 15.311 -9.799 -13.709 1.00 0.00 C ATOM 89 CG TRP A 95 16.138 -9.380 -12.532 1.00 0.00 C ATOM 90 CD1 TRP A 95 15.749 -9.410 -11.246 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.511 -8.886 -12.507 1.00 0.00 C ATOM 92 NE1 TRP A 95 16.753 -8.972 -10.415 1.00 0.00 N ATOM 93 CE2 TRP A 95 17.877 -8.630 -11.145 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.494 -8.634 -13.490 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.138 -8.148 -10.785 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.768 -8.147 -13.131 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.087 -7.900 -11.784 1.00 0.00 C ATOM 0 H TRP A 95 12.697 -8.280 -12.754 1.00 0.00 H new ATOM 0 HA TRP A 95 14.559 -7.802 -13.889 1.00 0.00 H new ATOM 0 HB2 TRP A 95 14.854 -10.764 -13.488 1.00 0.00 H new ATOM 0 HB3 TRP A 95 15.971 -9.947 -14.564 1.00 0.00 H new ATOM 0 HD1 TRP A 95 14.776 -9.735 -10.910 1.00 0.00 H new ATOM 0 HE1 TRP A 95 16.679 -8.908 -9.400 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.267 -8.817 -14.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.378 -7.969 -9.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.506 -7.962 -13.898 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.063 -7.519 -11.520 1.00 0.00 H new ATOM 108 N THR A 96 14.904 -8.620 -16.449 1.00 0.00 N ATOM 109 CA THR A 96 14.742 -8.662 -17.896 1.00 0.00 C ATOM 110 C THR A 96 15.947 -9.367 -18.515 1.00 0.00 C ATOM 111 O THR A 96 17.032 -9.365 -17.939 1.00 0.00 O ATOM 112 CB THR A 96 14.586 -7.234 -18.458 1.00 0.00 C ATOM 113 OG1 THR A 96 15.857 -6.656 -18.663 1.00 0.00 O ATOM 114 CG2 THR A 96 13.778 -6.358 -17.487 1.00 0.00 C ATOM 0 H THR A 96 15.844 -8.370 -16.141 1.00 0.00 H new ATOM 0 HA THR A 96 13.840 -9.219 -18.149 1.00 0.00 H new ATOM 0 HB THR A 96 14.054 -7.294 -19.408 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.750 -5.750 -19.021 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.678 -5.354 -17.900 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.788 -6.792 -17.343 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.294 -6.306 -16.528 1.00 0.00 H new ATOM 122 N LYS A 97 15.750 -9.972 -19.693 1.00 0.00 N ATOM 123 CA LYS A 97 16.811 -10.690 -20.388 1.00 0.00 C ATOM 124 C LYS A 97 18.009 -9.769 -20.632 1.00 0.00 C ATOM 125 O LYS A 97 19.153 -10.193 -20.502 1.00 0.00 O ATOM 126 CB LYS A 97 16.260 -11.226 -21.715 1.00 0.00 C ATOM 127 CG LYS A 97 17.296 -12.141 -22.382 1.00 0.00 C ATOM 128 CD LYS A 97 16.775 -12.615 -23.747 1.00 0.00 C ATOM 129 CE LYS A 97 17.412 -11.793 -24.876 1.00 0.00 C ATOM 130 NZ LYS A 97 17.050 -10.367 -24.779 1.00 0.00 N ATOM 0 H LYS A 97 14.856 -9.975 -20.183 1.00 0.00 H new ATOM 0 HA LYS A 97 17.152 -11.524 -19.775 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.336 -11.777 -21.539 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.015 -10.396 -22.378 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.238 -11.607 -22.508 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.500 -13.000 -21.743 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.004 -13.672 -23.884 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.690 -12.516 -23.784 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.496 -11.897 -24.836 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.089 -12.186 -25.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.397 -9.863 -25.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.016 -10.274 -24.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.481 -9.957 -23.926 1.00 0.00 H new ATOM 144 N GLU A 98 17.740 -8.511 -20.994 1.00 0.00 N ATOM 145 CA GLU A 98 18.789 -7.544 -21.278 1.00 0.00 C ATOM 146 C GLU A 98 19.556 -7.211 -19.996 1.00 0.00 C ATOM 147 O GLU A 98 20.785 -7.167 -19.996 1.00 0.00 O ATOM 148 CB GLU A 98 18.159 -6.285 -21.880 1.00 0.00 C ATOM 149 CG GLU A 98 19.197 -5.537 -22.718 1.00 0.00 C ATOM 150 CD GLU A 98 18.698 -4.145 -23.079 1.00 0.00 C ATOM 151 OE1 GLU A 98 18.606 -3.318 -22.144 1.00 0.00 O ATOM 152 OE2 GLU A 98 18.419 -3.934 -24.275 1.00 0.00 O ATOM 0 H GLU A 98 16.794 -8.142 -21.096 1.00 0.00 H new ATOM 0 HA GLU A 98 19.496 -7.964 -21.994 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.304 -6.556 -22.500 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.785 -5.639 -21.086 1.00 0.00 H new ATOM 0 HG2 GLU A 98 20.132 -5.461 -22.163 1.00 0.00 H new ATOM 0 HG3 GLU A 98 19.411 -6.099 -23.627 1.00 0.00 H new ATOM 159 N GLU A 99 18.824 -6.980 -18.903 1.00 0.00 N ATOM 160 CA GLU A 99 19.425 -6.668 -17.616 1.00 0.00 C ATOM 161 C GLU A 99 20.301 -7.839 -17.164 1.00 0.00 C ATOM 162 O GLU A 99 21.410 -7.635 -16.673 1.00 0.00 O ATOM 163 CB GLU A 99 18.304 -6.383 -16.618 1.00 0.00 C ATOM 164 CG GLU A 99 18.835 -5.555 -15.453 1.00 0.00 C ATOM 165 CD GLU A 99 17.706 -5.163 -14.512 1.00 0.00 C ATOM 166 OE1 GLU A 99 16.566 -5.625 -14.757 1.00 0.00 O ATOM 167 OE2 GLU A 99 17.999 -4.407 -13.562 1.00 0.00 O ATOM 0 H GLU A 99 17.804 -7.005 -18.891 1.00 0.00 H new ATOM 0 HA GLU A 99 20.063 -5.787 -17.687 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.493 -5.849 -17.113 1.00 0.00 H new ATOM 0 HB3 GLU A 99 17.889 -7.321 -16.248 1.00 0.00 H new ATOM 0 HG2 GLU A 99 19.587 -6.125 -14.908 1.00 0.00 H new ATOM 0 HG3 GLU A 99 19.327 -4.659 -15.832 1.00 0.00 H new ATOM 174 N ASP A 100 19.805 -9.066 -17.347 1.00 0.00 N ATOM 175 CA ASP A 100 20.557 -10.260 -17.001 1.00 0.00 C ATOM 176 C ASP A 100 21.803 -10.350 -17.880 1.00 0.00 C ATOM 177 O ASP A 100 22.882 -10.673 -17.391 1.00 0.00 O ATOM 178 CB ASP A 100 19.670 -11.497 -17.184 1.00 0.00 C ATOM 179 CG ASP A 100 18.930 -11.826 -15.903 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.584 -12.364 -14.986 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.718 -11.536 -15.859 1.00 0.00 O ATOM 0 H ASP A 100 18.880 -9.251 -17.735 1.00 0.00 H new ATOM 0 HA ASP A 100 20.870 -10.211 -15.958 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.954 -11.321 -17.987 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.282 -12.347 -17.484 1.00 0.00 H new ATOM 186 N GLN A 101 21.653 -10.059 -19.182 1.00 0.00 N ATOM 187 CA GLN A 101 22.771 -10.100 -20.116 1.00 0.00 C ATOM 188 C GLN A 101 23.896 -9.194 -19.618 1.00 0.00 C ATOM 189 O GLN A 101 25.066 -9.574 -19.673 1.00 0.00 O ATOM 190 CB GLN A 101 22.295 -9.674 -21.513 1.00 0.00 C ATOM 191 CG GLN A 101 23.388 -9.955 -22.552 1.00 0.00 C ATOM 192 CD GLN A 101 23.701 -11.447 -22.637 1.00 0.00 C ATOM 193 OE1 GLN A 101 24.796 -11.874 -22.287 1.00 0.00 O ATOM 194 NE2 GLN A 101 22.735 -12.238 -23.103 1.00 0.00 N ATOM 0 H GLN A 101 20.764 -9.793 -19.605 1.00 0.00 H new ATOM 0 HA GLN A 101 23.157 -11.117 -20.181 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.385 -10.214 -21.776 1.00 0.00 H new ATOM 0 HB3 GLN A 101 22.047 -8.613 -21.513 1.00 0.00 H new ATOM 0 HG2 GLN A 101 23.067 -9.592 -23.528 1.00 0.00 H new ATOM 0 HG3 GLN A 101 24.292 -9.406 -22.290 1.00 0.00 H new ATOM 0 HE21 GLN A 101 21.839 -11.838 -23.383 1.00 0.00 H new ATOM 0 HE22 GLN A 101 22.892 -13.243 -23.180 1.00 0.00 H new ATOM 203 N ARG A 102 23.546 -7.998 -19.122 1.00 0.00 N ATOM 204 CA ARG A 102 24.538 -7.077 -18.594 1.00 0.00 C ATOM 205 C ARG A 102 25.297 -7.753 -17.455 1.00 0.00 C ATOM 206 O ARG A 102 26.517 -7.826 -17.491 1.00 0.00 O ATOM 207 CB ARG A 102 23.866 -5.790 -18.099 1.00 0.00 C ATOM 208 CG ARG A 102 23.408 -4.942 -19.287 1.00 0.00 C ATOM 209 CD ARG A 102 22.854 -3.610 -18.774 1.00 0.00 C ATOM 210 NE ARG A 102 22.419 -2.754 -19.887 1.00 0.00 N ATOM 211 CZ ARG A 102 21.229 -2.883 -20.501 1.00 0.00 C ATOM 212 NH1 ARG A 102 20.359 -3.822 -20.112 1.00 0.00 N ATOM 213 NH2 ARG A 102 20.907 -2.069 -21.511 1.00 0.00 N ATOM 0 H ARG A 102 22.586 -7.656 -19.080 1.00 0.00 H new ATOM 0 HA ARG A 102 25.238 -6.810 -19.386 1.00 0.00 H new ATOM 0 HB2 ARG A 102 23.012 -6.037 -17.468 1.00 0.00 H new ATOM 0 HB3 ARG A 102 24.563 -5.221 -17.484 1.00 0.00 H new ATOM 0 HG2 ARG A 102 24.243 -4.765 -19.965 1.00 0.00 H new ATOM 0 HG3 ARG A 102 22.643 -5.473 -19.854 1.00 0.00 H new ATOM 0 HD2 ARG A 102 22.014 -3.796 -18.104 1.00 0.00 H new ATOM 0 HD3 ARG A 102 23.618 -3.095 -18.192 1.00 0.00 H new ATOM 0 HE ARG A 102 23.053 -2.024 -20.211 1.00 0.00 H new ATOM 0 HH11 ARG A 102 20.595 -4.449 -19.343 1.00 0.00 H new ATOM 0 HH12 ARG A 102 19.459 -3.911 -20.585 1.00 0.00 H new ATOM 0 HH21 ARG A 102 21.563 -1.350 -21.816 1.00 0.00 H new ATOM 0 HH22 ARG A 102 20.005 -2.166 -21.977 1.00 0.00 H new ATOM 227 N VAL A 103 24.570 -8.249 -16.445 1.00 0.00 N ATOM 228 CA VAL A 103 25.189 -8.902 -15.295 1.00 0.00 C ATOM 229 C VAL A 103 26.117 -10.031 -15.754 1.00 0.00 C ATOM 230 O VAL A 103 27.227 -10.149 -15.251 1.00 0.00 O ATOM 231 CB VAL A 103 24.098 -9.433 -14.352 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.732 -10.283 -13.245 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.357 -8.257 -13.714 1.00 0.00 C ATOM 0 H VAL A 103 23.552 -8.208 -16.406 1.00 0.00 H new ATOM 0 HA VAL A 103 25.793 -8.175 -14.753 1.00 0.00 H new ATOM 0 HB VAL A 103 23.401 -10.044 -14.925 1.00 0.00 H new ATOM 0 HG11 VAL A 103 23.952 -10.656 -12.581 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.262 -11.125 -13.691 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.433 -9.674 -12.675 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.583 -8.634 -13.045 1.00 0.00 H new ATOM 0 HG22 VAL A 103 24.061 -7.648 -13.147 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.898 -7.650 -14.494 1.00 0.00 H new ATOM 243 N ILE A 104 25.663 -10.858 -16.705 1.00 0.00 N ATOM 244 CA ILE A 104 26.462 -11.972 -17.207 1.00 0.00 C ATOM 245 C ILE A 104 27.818 -11.465 -17.713 1.00 0.00 C ATOM 246 O ILE A 104 28.862 -11.941 -17.267 1.00 0.00 O ATOM 247 CB ILE A 104 25.688 -12.704 -18.322 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.542 -13.523 -17.706 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.634 -13.641 -19.089 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.579 -13.998 -18.799 1.00 0.00 C ATOM 0 H ILE A 104 24.744 -10.772 -17.140 1.00 0.00 H new ATOM 0 HA ILE A 104 26.650 -12.678 -16.398 1.00 0.00 H new ATOM 0 HB ILE A 104 25.277 -11.967 -19.012 1.00 0.00 H new ATOM 0 HG12 ILE A 104 24.947 -14.382 -17.171 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.004 -12.917 -16.977 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.080 -14.154 -19.875 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.440 -13.059 -19.535 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.054 -14.376 -18.402 1.00 0.00 H new ATOM 0 HD11 ILE A 104 22.773 -14.576 -18.348 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.160 -13.134 -19.316 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.118 -14.622 -19.513 1.00 0.00 H new ATOM 262 N GLU A 105 27.801 -10.506 -18.647 1.00 0.00 N ATOM 263 CA GLU A 105 29.029 -9.973 -19.225 1.00 0.00 C ATOM 264 C GLU A 105 29.887 -9.303 -18.148 1.00 0.00 C ATOM 265 O GLU A 105 31.088 -9.538 -18.079 1.00 0.00 O ATOM 266 CB GLU A 105 28.673 -8.979 -20.340 1.00 0.00 C ATOM 267 CG GLU A 105 29.951 -8.384 -20.952 1.00 0.00 C ATOM 268 CD GLU A 105 30.879 -9.478 -21.476 1.00 0.00 C ATOM 269 OE1 GLU A 105 30.455 -10.179 -22.416 1.00 0.00 O ATOM 270 OE2 GLU A 105 31.999 -9.590 -20.924 1.00 0.00 O ATOM 0 H GLU A 105 26.947 -10.087 -19.015 1.00 0.00 H new ATOM 0 HA GLU A 105 29.613 -10.790 -19.649 1.00 0.00 H new ATOM 0 HB2 GLU A 105 28.092 -9.482 -21.113 1.00 0.00 H new ATOM 0 HB3 GLU A 105 28.048 -8.181 -19.939 1.00 0.00 H new ATOM 0 HG2 GLU A 105 29.686 -7.709 -21.766 1.00 0.00 H new ATOM 0 HG3 GLU A 105 30.473 -7.790 -20.202 1.00 0.00 H new ATOM 277 N LEU A 106 29.273 -8.464 -17.314 1.00 0.00 N ATOM 278 CA LEU A 106 29.996 -7.750 -16.271 1.00 0.00 C ATOM 279 C LEU A 106 30.695 -8.741 -15.335 1.00 0.00 C ATOM 280 O LEU A 106 31.847 -8.529 -14.969 1.00 0.00 O ATOM 281 CB LEU A 106 29.026 -6.853 -15.498 1.00 0.00 C ATOM 282 CG LEU A 106 28.495 -5.730 -16.408 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.325 -5.034 -15.714 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.598 -4.709 -16.688 1.00 0.00 C ATOM 0 H LEU A 106 28.273 -8.264 -17.344 1.00 0.00 H new ATOM 0 HA LEU A 106 30.763 -7.123 -16.726 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.194 -7.447 -15.119 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.530 -6.422 -14.633 1.00 0.00 H new ATOM 0 HG LEU A 106 28.165 -6.162 -17.353 1.00 0.00 H new ATOM 0 HD11 LEU A 106 26.944 -4.237 -16.353 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.532 -5.757 -15.524 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.663 -4.610 -14.768 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.209 -3.921 -17.332 1.00 0.00 H new ATOM 0 HD22 LEU A 106 29.939 -4.274 -15.748 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.434 -5.203 -17.183 1.00 0.00 H new ATOM 296 N VAL A 107 30.006 -9.824 -14.955 1.00 0.00 N ATOM 297 CA VAL A 107 30.589 -10.840 -14.086 1.00 0.00 C ATOM 298 C VAL A 107 31.730 -11.543 -14.820 1.00 0.00 C ATOM 299 O VAL A 107 32.764 -11.816 -14.229 1.00 0.00 O ATOM 300 CB VAL A 107 29.505 -11.846 -13.658 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.158 -13.111 -13.090 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.621 -11.218 -12.579 1.00 0.00 C ATOM 0 H VAL A 107 29.045 -10.015 -15.238 1.00 0.00 H new ATOM 0 HA VAL A 107 30.991 -10.371 -13.188 1.00 0.00 H new ATOM 0 HB VAL A 107 28.903 -12.106 -14.528 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.384 -13.817 -12.790 1.00 0.00 H new ATOM 0 HG12 VAL A 107 30.790 -13.568 -13.852 1.00 0.00 H new ATOM 0 HG13 VAL A 107 30.766 -12.849 -12.224 1.00 0.00 H new ATOM 0 HG21 VAL A 107 27.854 -11.931 -12.277 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.232 -10.955 -11.716 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.146 -10.320 -12.975 1.00 0.00 H new ATOM 312 N GLN A 108 31.539 -11.831 -16.108 1.00 0.00 N ATOM 313 CA GLN A 108 32.558 -12.488 -16.913 1.00 0.00 C ATOM 314 C GLN A 108 33.816 -11.614 -16.992 1.00 0.00 C ATOM 315 O GLN A 108 34.933 -12.127 -16.959 1.00 0.00 O ATOM 316 CB GLN A 108 31.982 -12.746 -18.313 1.00 0.00 C ATOM 317 CG GLN A 108 33.045 -13.360 -19.230 1.00 0.00 C ATOM 318 CD GLN A 108 32.482 -13.593 -20.628 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.402 -14.730 -21.085 1.00 0.00 O ATOM 320 NE2 GLN A 108 32.091 -12.513 -21.307 1.00 0.00 N ATOM 0 H GLN A 108 30.680 -11.616 -16.615 1.00 0.00 H new ATOM 0 HA GLN A 108 32.842 -13.437 -16.457 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.125 -13.416 -18.242 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.621 -11.811 -18.741 1.00 0.00 H new ATOM 0 HG2 GLN A 108 33.910 -12.699 -19.286 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.393 -14.304 -18.811 1.00 0.00 H new ATOM 0 HE21 GLN A 108 32.176 -11.588 -20.887 1.00 0.00 H new ATOM 0 HE22 GLN A 108 31.707 -12.613 -22.247 1.00 0.00 H new ATOM 329 N LYS A 109 33.627 -10.295 -17.110 1.00 0.00 N ATOM 330 CA LYS A 109 34.730 -9.357 -17.261 1.00 0.00 C ATOM 331 C LYS A 109 35.423 -9.079 -15.920 1.00 0.00 C ATOM 332 O LYS A 109 36.624 -9.304 -15.788 1.00 0.00 O ATOM 333 CB LYS A 109 34.185 -8.060 -17.878 1.00 0.00 C ATOM 334 CG LYS A 109 35.207 -7.487 -18.863 1.00 0.00 C ATOM 335 CD LYS A 109 34.749 -6.109 -19.366 1.00 0.00 C ATOM 336 CE LYS A 109 33.353 -6.189 -20.008 1.00 0.00 C ATOM 337 NZ LYS A 109 33.280 -7.251 -21.031 1.00 0.00 N ATOM 0 H LYS A 109 32.707 -9.855 -17.103 1.00 0.00 H new ATOM 0 HA LYS A 109 35.484 -9.792 -17.918 1.00 0.00 H new ATOM 0 HB2 LYS A 109 33.243 -8.257 -18.390 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.975 -7.333 -17.093 1.00 0.00 H new ATOM 0 HG2 LYS A 109 36.180 -7.400 -18.379 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.330 -8.167 -19.706 1.00 0.00 H new ATOM 0 HD2 LYS A 109 34.731 -5.403 -18.536 1.00 0.00 H new ATOM 0 HD3 LYS A 109 35.466 -5.727 -20.093 1.00 0.00 H new ATOM 0 HE2 LYS A 109 32.608 -6.377 -19.235 1.00 0.00 H new ATOM 0 HE3 LYS A 109 33.106 -5.229 -20.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 32.641 -6.953 -21.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 34.229 -7.424 -21.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 32.919 -8.125 -20.599 1.00 0.00 H new ATOM 351 N TYR A 110 34.671 -8.574 -14.936 1.00 0.00 N ATOM 352 CA TYR A 110 35.227 -8.206 -13.638 1.00 0.00 C ATOM 353 C TYR A 110 35.479 -9.435 -12.770 1.00 0.00 C ATOM 354 O TYR A 110 36.484 -9.491 -12.060 1.00 0.00 O ATOM 355 CB TYR A 110 34.257 -7.252 -12.935 1.00 0.00 C ATOM 356 CG TYR A 110 34.189 -5.888 -13.584 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.354 -5.106 -13.702 1.00 0.00 C ATOM 358 CD2 TYR A 110 32.966 -5.400 -14.073 1.00 0.00 C ATOM 359 CE1 TYR A 110 35.294 -3.844 -14.313 1.00 0.00 C ATOM 360 CE2 TYR A 110 32.908 -4.137 -14.680 1.00 0.00 C ATOM 361 CZ TYR A 110 34.071 -3.359 -14.802 1.00 0.00 C ATOM 362 OH TYR A 110 34.011 -2.134 -15.397 1.00 0.00 O ATOM 0 H TYR A 110 33.668 -8.411 -15.020 1.00 0.00 H new ATOM 0 HA TYR A 110 36.187 -7.714 -13.795 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.261 -7.695 -12.930 1.00 0.00 H new ATOM 0 HB3 TYR A 110 34.560 -7.138 -11.894 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.294 -5.478 -13.322 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.071 -5.997 -13.982 1.00 0.00 H new ATOM 0 HE1 TYR A 110 36.189 -3.246 -14.407 1.00 0.00 H new ATOM 0 HE2 TYR A 110 31.967 -3.762 -15.054 1.00 0.00 H new ATOM 0 HH TYR A 110 33.199 -1.668 -15.106 1.00 0.00 H new ATOM 372 N GLY A 111 34.566 -10.402 -12.817 1.00 0.00 N ATOM 373 CA GLY A 111 34.659 -11.607 -12.009 1.00 0.00 C ATOM 374 C GLY A 111 33.561 -11.586 -10.944 1.00 0.00 C ATOM 375 O GLY A 111 33.103 -10.511 -10.553 1.00 0.00 O ATOM 0 H GLY A 111 33.742 -10.369 -13.418 1.00 0.00 H new ATOM 0 HA2 GLY A 111 34.554 -12.490 -12.639 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.639 -11.667 -11.536 1.00 0.00 H new ATOM 379 N PRO A 112 33.130 -12.768 -10.467 1.00 0.00 N ATOM 380 CA PRO A 112 32.102 -12.875 -9.451 1.00 0.00 C ATOM 381 C PRO A 112 32.605 -12.320 -8.115 1.00 0.00 C ATOM 382 O PRO A 112 33.784 -12.004 -7.975 1.00 0.00 O ATOM 383 CB PRO A 112 31.788 -14.371 -9.348 1.00 0.00 C ATOM 384 CG PRO A 112 32.923 -15.100 -10.073 1.00 0.00 C ATOM 385 CD PRO A 112 33.642 -14.047 -10.914 1.00 0.00 C ATOM 0 HA PRO A 112 31.213 -12.298 -9.706 1.00 0.00 H new ATOM 0 HB2 PRO A 112 31.728 -14.685 -8.306 1.00 0.00 H new ATOM 0 HB3 PRO A 112 30.825 -14.598 -9.805 1.00 0.00 H new ATOM 0 HG2 PRO A 112 33.607 -15.561 -9.360 1.00 0.00 H new ATOM 0 HG3 PRO A 112 32.532 -15.899 -10.702 1.00 0.00 H new ATOM 0 HD2 PRO A 112 34.722 -14.106 -10.775 1.00 0.00 H new ATOM 0 HD3 PRO A 112 33.448 -14.196 -11.976 1.00 0.00 H new ATOM 393 N LYS A 113 31.694 -12.213 -7.136 1.00 0.00 N ATOM 394 CA LYS A 113 32.013 -11.715 -5.795 1.00 0.00 C ATOM 395 C LYS A 113 32.443 -10.243 -5.843 1.00 0.00 C ATOM 396 O LYS A 113 33.172 -9.783 -4.967 1.00 0.00 O ATOM 397 CB LYS A 113 33.112 -12.572 -5.144 1.00 0.00 C ATOM 398 CG LYS A 113 32.805 -14.072 -5.282 1.00 0.00 C ATOM 399 CD LYS A 113 31.420 -14.393 -4.708 1.00 0.00 C ATOM 400 CE LYS A 113 31.244 -15.911 -4.622 1.00 0.00 C ATOM 401 NZ LYS A 113 29.902 -16.262 -4.126 1.00 0.00 N ATOM 0 H LYS A 113 30.714 -12.471 -7.255 1.00 0.00 H new ATOM 0 HA LYS A 113 31.111 -11.788 -5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 113 34.072 -12.351 -5.610 1.00 0.00 H new ATOM 0 HB3 LYS A 113 33.202 -12.312 -4.089 1.00 0.00 H new ATOM 0 HG2 LYS A 113 32.846 -14.362 -6.332 1.00 0.00 H new ATOM 0 HG3 LYS A 113 33.565 -14.654 -4.760 1.00 0.00 H new ATOM 0 HD2 LYS A 113 31.312 -13.947 -3.719 1.00 0.00 H new ATOM 0 HD3 LYS A 113 30.644 -13.961 -5.339 1.00 0.00 H new ATOM 0 HE2 LYS A 113 31.399 -16.354 -5.606 1.00 0.00 H new ATOM 0 HE3 LYS A 113 32.001 -16.331 -3.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 29.838 -17.292 -3.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 29.733 -15.788 -3.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 29.186 -15.954 -4.815 1.00 0.00 H new ATOM 415 N ARG A 114 31.979 -9.512 -6.861 1.00 0.00 N ATOM 416 CA ARG A 114 32.278 -8.089 -7.012 1.00 0.00 C ATOM 417 C ARG A 114 30.964 -7.331 -7.164 1.00 0.00 C ATOM 418 O ARG A 114 30.775 -6.576 -8.120 1.00 0.00 O ATOM 419 CB ARG A 114 33.183 -7.876 -8.231 1.00 0.00 C ATOM 420 CG ARG A 114 34.556 -8.509 -7.974 1.00 0.00 C ATOM 421 CD ARG A 114 35.488 -8.223 -9.153 1.00 0.00 C ATOM 422 NE ARG A 114 35.804 -6.791 -9.239 1.00 0.00 N ATOM 423 CZ ARG A 114 36.674 -6.281 -10.130 1.00 0.00 C ATOM 424 NH1 ARG A 114 37.286 -7.081 -11.013 1.00 0.00 N ATOM 425 NH2 ARG A 114 36.927 -4.966 -10.133 1.00 0.00 N ATOM 0 H ARG A 114 31.387 -9.891 -7.601 1.00 0.00 H new ATOM 0 HA ARG A 114 32.806 -7.715 -6.135 1.00 0.00 H new ATOM 0 HB2 ARG A 114 32.727 -8.320 -9.116 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.295 -6.810 -8.431 1.00 0.00 H new ATOM 0 HG2 ARG A 114 34.984 -8.109 -7.055 1.00 0.00 H new ATOM 0 HG3 ARG A 114 34.450 -9.585 -7.835 1.00 0.00 H new ATOM 0 HD2 ARG A 114 36.408 -8.796 -9.041 1.00 0.00 H new ATOM 0 HD3 ARG A 114 35.019 -8.552 -10.080 1.00 0.00 H new ATOM 0 HE ARG A 114 35.342 -6.152 -8.592 1.00 0.00 H new ATOM 0 HH11 ARG A 114 37.094 -8.083 -11.012 1.00 0.00 H new ATOM 0 HH12 ARG A 114 37.944 -6.688 -11.686 1.00 0.00 H new ATOM 0 HH21 ARG A 114 36.461 -4.355 -9.462 1.00 0.00 H new ATOM 0 HH22 ARG A 114 37.586 -4.575 -10.806 1.00 0.00 H new ATOM 439 N TRP A 115 30.052 -7.550 -6.209 1.00 0.00 N ATOM 440 CA TRP A 115 28.730 -6.942 -6.224 1.00 0.00 C ATOM 441 C TRP A 115 28.807 -5.496 -5.737 1.00 0.00 C ATOM 442 O TRP A 115 28.198 -5.130 -4.733 1.00 0.00 O ATOM 443 CB TRP A 115 27.800 -7.799 -5.363 1.00 0.00 C ATOM 444 CG TRP A 115 27.910 -9.263 -5.660 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.312 -10.214 -4.800 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.659 -9.960 -6.918 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.345 -11.447 -5.409 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.953 -11.349 -6.732 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.221 -9.565 -8.204 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.830 -12.283 -7.764 1.00 0.00 C ATOM 451 CZ3 TRP A 115 27.091 -10.509 -9.244 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.406 -11.857 -9.028 1.00 0.00 C ATOM 0 H TRP A 115 30.217 -8.156 -5.405 1.00 0.00 H new ATOM 0 HA TRP A 115 28.331 -6.906 -7.238 1.00 0.00 H new ATOM 0 HB2 TRP A 115 28.029 -7.629 -4.311 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.770 -7.478 -5.521 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.574 -10.034 -3.768 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.621 -12.314 -4.948 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.983 -8.528 -8.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 28.060 -13.323 -7.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.745 -10.190 -10.216 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.322 -12.568 -9.837 1.00 0.00 H new ATOM 463 N SER A 116 29.563 -4.685 -6.475 1.00 0.00 N ATOM 464 CA SER A 116 29.745 -3.275 -6.189 1.00 0.00 C ATOM 465 C SER A 116 29.962 -2.559 -7.515 1.00 0.00 C ATOM 466 O SER A 116 29.193 -1.674 -7.884 1.00 0.00 O ATOM 467 CB SER A 116 30.944 -3.093 -5.253 1.00 0.00 C ATOM 468 OG SER A 116 32.062 -3.794 -5.765 1.00 0.00 O ATOM 0 H SER A 116 30.072 -5.001 -7.301 1.00 0.00 H new ATOM 0 HA SER A 116 28.871 -2.856 -5.690 1.00 0.00 H new ATOM 0 HB2 SER A 116 31.182 -2.034 -5.153 1.00 0.00 H new ATOM 0 HB3 SER A 116 30.698 -3.460 -4.256 1.00 0.00 H new ATOM 0 HG SER A 116 32.827 -3.673 -5.164 1.00 0.00 H new ATOM 474 N VAL A 117 31.006 -2.968 -8.242 1.00 0.00 N ATOM 475 CA VAL A 117 31.293 -2.430 -9.558 1.00 0.00 C ATOM 476 C VAL A 117 30.131 -2.781 -10.486 1.00 0.00 C ATOM 477 O VAL A 117 29.627 -1.926 -11.209 1.00 0.00 O ATOM 478 CB VAL A 117 32.616 -3.021 -10.072 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.881 -2.541 -11.501 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.767 -2.572 -9.167 1.00 0.00 C ATOM 0 H VAL A 117 31.668 -3.678 -7.929 1.00 0.00 H new ATOM 0 HA VAL A 117 31.401 -1.346 -9.520 1.00 0.00 H new ATOM 0 HB VAL A 117 32.546 -4.109 -10.063 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.820 -2.964 -11.859 1.00 0.00 H new ATOM 0 HG12 VAL A 117 32.067 -2.864 -12.150 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.945 -1.453 -11.513 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.703 -2.992 -9.534 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.831 -1.484 -9.172 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.587 -2.920 -8.150 1.00 0.00 H new ATOM 490 N ILE A 118 29.703 -4.049 -10.447 1.00 0.00 N ATOM 491 CA ILE A 118 28.590 -4.526 -11.253 1.00 0.00 C ATOM 492 C ILE A 118 27.336 -3.703 -10.929 1.00 0.00 C ATOM 493 O ILE A 118 26.627 -3.265 -11.834 1.00 0.00 O ATOM 494 CB ILE A 118 28.360 -6.022 -10.959 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.593 -6.840 -11.391 1.00 0.00 C ATOM 496 CG2 ILE A 118 27.124 -6.519 -11.720 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.614 -8.186 -10.663 1.00 0.00 C ATOM 0 H ILE A 118 30.122 -4.766 -9.855 1.00 0.00 H new ATOM 0 HA ILE A 118 28.813 -4.408 -12.313 1.00 0.00 H new ATOM 0 HB ILE A 118 28.201 -6.150 -9.888 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.572 -7.001 -12.469 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.504 -6.284 -11.169 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.967 -7.577 -11.508 1.00 0.00 H new ATOM 0 HG22 ILE A 118 26.249 -5.952 -11.403 1.00 0.00 H new ATOM 0 HG23 ILE A 118 27.277 -6.382 -12.791 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.489 -8.755 -10.976 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.657 -8.017 -9.587 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.711 -8.746 -10.907 1.00 0.00 H new ATOM 509 N ALA A 119 27.071 -3.498 -9.631 1.00 0.00 N ATOM 510 CA ALA A 119 25.903 -2.750 -9.180 1.00 0.00 C ATOM 511 C ALA A 119 25.937 -1.314 -9.713 1.00 0.00 C ATOM 512 O ALA A 119 24.907 -0.785 -10.123 1.00 0.00 O ATOM 513 CB ALA A 119 25.863 -2.754 -7.652 1.00 0.00 C ATOM 0 H ALA A 119 27.659 -3.846 -8.874 1.00 0.00 H new ATOM 0 HA ALA A 119 25.002 -3.227 -9.567 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.992 -2.196 -7.309 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.801 -3.781 -7.292 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.768 -2.288 -7.263 1.00 0.00 H new ATOM 519 N LYS A 120 27.121 -0.683 -9.705 1.00 0.00 N ATOM 520 CA LYS A 120 27.270 0.689 -10.183 1.00 0.00 C ATOM 521 C LYS A 120 26.854 0.800 -11.655 1.00 0.00 C ATOM 522 O LYS A 120 26.495 1.887 -12.112 1.00 0.00 O ATOM 523 CB LYS A 120 28.719 1.148 -9.987 1.00 0.00 C ATOM 524 CG LYS A 120 28.947 1.512 -8.514 1.00 0.00 C ATOM 525 CD LYS A 120 30.451 1.567 -8.201 1.00 0.00 C ATOM 526 CE LYS A 120 31.161 2.594 -9.096 1.00 0.00 C ATOM 527 NZ LYS A 120 30.590 3.943 -8.927 1.00 0.00 N ATOM 0 H LYS A 120 27.987 -1.107 -9.371 1.00 0.00 H new ATOM 0 HA LYS A 120 26.614 1.340 -9.605 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.406 0.357 -10.287 1.00 0.00 H new ATOM 0 HB3 LYS A 120 28.928 2.009 -10.622 1.00 0.00 H new ATOM 0 HG2 LYS A 120 28.488 2.477 -8.296 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.462 0.776 -7.872 1.00 0.00 H new ATOM 0 HD2 LYS A 120 30.599 1.828 -7.153 1.00 0.00 H new ATOM 0 HD3 LYS A 120 30.894 0.582 -8.349 1.00 0.00 H new ATOM 0 HE2 LYS A 120 32.224 2.615 -8.856 1.00 0.00 H new ATOM 0 HE3 LYS A 120 31.076 2.290 -10.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 31.203 4.640 -9.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 29.641 3.974 -9.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 30.523 4.167 -7.914 1.00 0.00 H new ATOM 541 N HIS A 121 26.897 -0.315 -12.396 1.00 0.00 N ATOM 542 CA HIS A 121 26.508 -0.327 -13.796 1.00 0.00 C ATOM 543 C HIS A 121 25.022 -0.646 -13.895 1.00 0.00 C ATOM 544 O HIS A 121 24.306 -0.034 -14.689 1.00 0.00 O ATOM 545 CB HIS A 121 27.355 -1.353 -14.547 1.00 0.00 C ATOM 546 CG HIS A 121 28.829 -1.128 -14.336 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.392 0.142 -14.289 1.00 0.00 N ATOM 548 CD2 HIS A 121 29.879 -1.985 -14.140 1.00 0.00 C ATOM 549 CE1 HIS A 121 30.710 -0.025 -14.074 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.075 -1.302 -13.974 1.00 0.00 N ATOM 0 H HIS A 121 27.200 -1.221 -12.039 1.00 0.00 H new ATOM 0 HA HIS A 121 26.680 0.649 -14.251 1.00 0.00 H new ATOM 0 HB2 HIS A 121 27.090 -2.356 -14.214 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.129 -1.301 -15.612 1.00 0.00 H new ATOM 0 HD1 HIS A 121 28.901 1.029 -14.397 1.00 0.00 H new ATOM 0 HD2 HIS A 121 29.787 -3.061 -14.117 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.405 0.797 -13.991 1.00 0.00 H new ATOM 558 N LEU A 122 24.558 -1.597 -13.074 1.00 0.00 N ATOM 559 CA LEU A 122 23.154 -1.968 -13.035 1.00 0.00 C ATOM 560 C LEU A 122 22.399 -0.934 -12.199 1.00 0.00 C ATOM 561 O LEU A 122 22.019 -1.201 -11.059 1.00 0.00 O ATOM 562 CB LEU A 122 23.008 -3.380 -12.433 1.00 0.00 C ATOM 563 CG LEU A 122 23.040 -4.466 -13.526 1.00 0.00 C ATOM 564 CD1 LEU A 122 21.792 -4.370 -14.404 1.00 0.00 C ATOM 565 CD2 LEU A 122 24.287 -4.327 -14.401 1.00 0.00 C ATOM 0 H LEU A 122 25.146 -2.122 -12.427 1.00 0.00 H new ATOM 0 HA LEU A 122 22.736 -1.986 -14.042 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.812 -3.557 -11.719 1.00 0.00 H new ATOM 0 HB3 LEU A 122 22.071 -3.446 -11.880 1.00 0.00 H new ATOM 0 HG LEU A 122 23.065 -5.437 -13.032 1.00 0.00 H new ATOM 0 HD11 LEU A 122 21.827 -5.143 -15.172 1.00 0.00 H new ATOM 0 HD12 LEU A 122 20.903 -4.510 -13.789 1.00 0.00 H new ATOM 0 HD13 LEU A 122 21.755 -3.389 -14.878 1.00 0.00 H new ATOM 0 HD21 LEU A 122 24.285 -5.105 -15.164 1.00 0.00 H new ATOM 0 HD22 LEU A 122 24.287 -3.348 -14.881 1.00 0.00 H new ATOM 0 HD23 LEU A 122 25.179 -4.428 -13.782 1.00 0.00 H new ATOM 577 N LYS A 123 22.187 0.255 -12.780 1.00 0.00 N ATOM 578 CA LYS A 123 21.486 1.340 -12.110 1.00 0.00 C ATOM 579 C LYS A 123 20.003 0.993 -11.992 1.00 0.00 C ATOM 580 O LYS A 123 19.177 1.488 -12.758 1.00 0.00 O ATOM 581 CB LYS A 123 21.689 2.638 -12.899 1.00 0.00 C ATOM 582 CG LYS A 123 23.164 3.049 -12.847 1.00 0.00 C ATOM 583 CD LYS A 123 23.379 4.293 -13.713 1.00 0.00 C ATOM 584 CE LYS A 123 24.823 4.787 -13.574 1.00 0.00 C ATOM 585 NZ LYS A 123 25.787 3.759 -14.008 1.00 0.00 N ATOM 0 H LYS A 123 22.498 0.483 -13.724 1.00 0.00 H new ATOM 0 HA LYS A 123 21.885 1.481 -11.105 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.377 2.498 -13.934 1.00 0.00 H new ATOM 0 HB3 LYS A 123 21.066 3.429 -12.482 1.00 0.00 H new ATOM 0 HG2 LYS A 123 23.459 3.254 -11.818 1.00 0.00 H new ATOM 0 HG3 LYS A 123 23.793 2.233 -13.202 1.00 0.00 H new ATOM 0 HD2 LYS A 123 23.164 4.061 -14.756 1.00 0.00 H new ATOM 0 HD3 LYS A 123 22.687 5.079 -13.412 1.00 0.00 H new ATOM 0 HE2 LYS A 123 24.959 5.690 -14.169 1.00 0.00 H new ATOM 0 HE3 LYS A 123 25.019 5.057 -12.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 26.704 4.206 -14.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 25.905 3.053 -13.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 25.433 3.291 -14.867 1.00 0.00 H new ATOM 599 N GLY A 124 19.678 0.135 -11.026 1.00 0.00 N ATOM 600 CA GLY A 124 18.316 -0.307 -10.797 1.00 0.00 C ATOM 601 C GLY A 124 18.309 -1.440 -9.776 1.00 0.00 C ATOM 602 O GLY A 124 17.380 -1.547 -8.975 1.00 0.00 O ATOM 0 H GLY A 124 20.358 -0.270 -10.383 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.709 0.524 -10.437 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.871 -0.645 -11.733 1.00 0.00 H new ATOM 606 N ARG A 125 19.353 -2.285 -9.805 1.00 0.00 N ATOM 607 CA ARG A 125 19.483 -3.406 -8.885 1.00 0.00 C ATOM 608 C ARG A 125 20.792 -3.266 -8.109 1.00 0.00 C ATOM 609 O ARG A 125 21.869 -3.246 -8.703 1.00 0.00 O ATOM 610 CB ARG A 125 19.457 -4.723 -9.673 1.00 0.00 C ATOM 611 CG ARG A 125 18.160 -4.841 -10.491 1.00 0.00 C ATOM 612 CD ARG A 125 16.926 -4.817 -9.570 1.00 0.00 C ATOM 613 NE ARG A 125 15.942 -5.867 -9.910 1.00 0.00 N ATOM 614 CZ ARG A 125 15.353 -5.993 -11.118 1.00 0.00 C ATOM 615 NH1 ARG A 125 15.852 -5.381 -12.191 1.00 0.00 N ATOM 616 NH2 ARG A 125 14.254 -6.745 -11.244 1.00 0.00 N ATOM 0 H ARG A 125 20.124 -2.203 -10.468 1.00 0.00 H new ATOM 0 HA ARG A 125 18.652 -3.410 -8.179 1.00 0.00 H new ATOM 0 HB2 ARG A 125 20.319 -4.771 -10.339 1.00 0.00 H new ATOM 0 HB3 ARG A 125 19.538 -5.565 -8.986 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.101 -4.021 -11.207 1.00 0.00 H new ATOM 0 HG3 ARG A 125 18.171 -5.766 -11.067 1.00 0.00 H new ATOM 0 HD2 ARG A 125 17.246 -4.946 -8.536 1.00 0.00 H new ATOM 0 HD3 ARG A 125 16.447 -3.840 -9.636 1.00 0.00 H new ATOM 0 HE ARG A 125 15.692 -6.540 -9.185 1.00 0.00 H new ATOM 0 HH11 ARG A 125 16.691 -4.807 -12.107 1.00 0.00 H new ATOM 0 HH12 ARG A 125 15.395 -5.486 -13.097 1.00 0.00 H new ATOM 0 HH21 ARG A 125 13.865 -7.220 -10.429 1.00 0.00 H new ATOM 0 HH22 ARG A 125 13.805 -6.843 -12.155 1.00 0.00 H new ATOM 630 N ILE A 126 20.692 -3.163 -6.779 1.00 0.00 N ATOM 631 CA ILE A 126 21.859 -2.996 -5.920 1.00 0.00 C ATOM 632 C ILE A 126 22.694 -4.284 -5.880 1.00 0.00 C ATOM 633 O ILE A 126 22.347 -5.283 -6.512 1.00 0.00 O ATOM 634 CB ILE A 126 21.402 -2.583 -4.507 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.484 -3.663 -3.906 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.655 -1.246 -4.585 1.00 0.00 C ATOM 637 CD1 ILE A 126 20.180 -3.339 -2.441 1.00 0.00 C ATOM 0 H ILE A 126 19.805 -3.193 -6.276 1.00 0.00 H new ATOM 0 HA ILE A 126 22.494 -2.209 -6.326 1.00 0.00 H new ATOM 0 HB ILE A 126 22.277 -2.475 -3.866 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.556 -3.720 -4.474 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.962 -4.640 -3.979 1.00 0.00 H new ATOM 0 HG21 ILE A 126 20.331 -0.952 -3.587 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.318 -0.482 -4.991 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.785 -1.353 -5.233 1.00 0.00 H new ATOM 0 HD11 ILE A 126 19.530 -4.109 -2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 126 21.111 -3.306 -1.875 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.682 -2.371 -2.378 1.00 0.00 H new ATOM 649 N GLY A 127 23.803 -4.245 -5.129 1.00 0.00 N ATOM 650 CA GLY A 127 24.711 -5.377 -5.007 1.00 0.00 C ATOM 651 C GLY A 127 23.972 -6.632 -4.546 1.00 0.00 C ATOM 652 O GLY A 127 24.164 -7.700 -5.114 1.00 0.00 O ATOM 0 H GLY A 127 24.089 -3.426 -4.593 1.00 0.00 H new ATOM 0 HA2 GLY A 127 25.191 -5.567 -5.967 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.502 -5.137 -4.297 1.00 0.00 H new ATOM 656 N LYS A 128 23.132 -6.503 -3.513 1.00 0.00 N ATOM 657 CA LYS A 128 22.383 -7.635 -2.979 1.00 0.00 C ATOM 658 C LYS A 128 21.511 -8.261 -4.072 1.00 0.00 C ATOM 659 O LYS A 128 21.458 -9.481 -4.200 1.00 0.00 O ATOM 660 CB LYS A 128 21.524 -7.159 -1.802 1.00 0.00 C ATOM 661 CG LYS A 128 20.852 -8.360 -1.129 1.00 0.00 C ATOM 662 CD LYS A 128 20.076 -7.889 0.104 1.00 0.00 C ATOM 663 CE LYS A 128 19.387 -9.085 0.765 1.00 0.00 C ATOM 664 NZ LYS A 128 18.662 -8.674 1.982 1.00 0.00 N ATOM 0 H LYS A 128 22.957 -5.621 -3.032 1.00 0.00 H new ATOM 0 HA LYS A 128 23.077 -8.399 -2.628 1.00 0.00 H new ATOM 0 HB2 LYS A 128 22.143 -6.626 -1.080 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.767 -6.457 -2.153 1.00 0.00 H new ATOM 0 HG2 LYS A 128 20.178 -8.852 -1.830 1.00 0.00 H new ATOM 0 HG3 LYS A 128 21.603 -9.095 -0.840 1.00 0.00 H new ATOM 0 HD2 LYS A 128 20.753 -7.410 0.811 1.00 0.00 H new ATOM 0 HD3 LYS A 128 19.335 -7.143 -0.183 1.00 0.00 H new ATOM 0 HE2 LYS A 128 18.692 -9.543 0.061 1.00 0.00 H new ATOM 0 HE3 LYS A 128 20.129 -9.842 1.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 18.204 -9.504 2.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 19.331 -8.259 2.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 17.939 -7.969 1.734 1.00 0.00 H new ATOM 678 N GLN A 129 20.829 -7.419 -4.854 1.00 0.00 N ATOM 679 CA GLN A 129 19.952 -7.882 -5.918 1.00 0.00 C ATOM 680 C GLN A 129 20.757 -8.624 -6.983 1.00 0.00 C ATOM 681 O GLN A 129 20.393 -9.727 -7.374 1.00 0.00 O ATOM 682 CB GLN A 129 19.232 -6.682 -6.531 1.00 0.00 C ATOM 683 CG GLN A 129 18.068 -6.256 -5.632 1.00 0.00 C ATOM 684 CD GLN A 129 16.874 -7.187 -5.810 1.00 0.00 C ATOM 685 OE1 GLN A 129 16.363 -7.747 -4.842 1.00 0.00 O ATOM 686 NE2 GLN A 129 16.431 -7.351 -7.054 1.00 0.00 N ATOM 0 H GLN A 129 20.873 -6.404 -4.763 1.00 0.00 H new ATOM 0 HA GLN A 129 19.216 -8.573 -5.508 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.929 -5.853 -6.655 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.861 -6.938 -7.524 1.00 0.00 H new ATOM 0 HG2 GLN A 129 18.387 -6.262 -4.590 1.00 0.00 H new ATOM 0 HG3 GLN A 129 17.775 -5.233 -5.869 1.00 0.00 H new ATOM 0 HE21 GLN A 129 16.887 -6.865 -7.826 1.00 0.00 H new ATOM 0 HE22 GLN A 129 15.635 -7.963 -7.235 1.00 0.00 H new ATOM 695 N CYS A 130 21.850 -8.014 -7.450 1.00 0.00 N ATOM 696 CA CYS A 130 22.709 -8.627 -8.460 1.00 0.00 C ATOM 697 C CYS A 130 23.232 -9.970 -7.946 1.00 0.00 C ATOM 698 O CYS A 130 23.178 -10.975 -8.655 1.00 0.00 O ATOM 699 CB CYS A 130 23.875 -7.687 -8.786 1.00 0.00 C ATOM 700 SG CYS A 130 23.243 -6.234 -9.664 1.00 0.00 S ATOM 0 H CYS A 130 22.160 -7.092 -7.141 1.00 0.00 H new ATOM 0 HA CYS A 130 22.134 -8.800 -9.370 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.379 -7.382 -7.869 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.614 -8.204 -9.399 1.00 0.00 H new ATOM 0 HG CYS A 130 22.782 -5.374 -8.805 1.00 0.00 H new ATOM 706 N ARG A 131 23.734 -9.976 -6.705 1.00 0.00 N ATOM 707 CA ARG A 131 24.257 -11.177 -6.072 1.00 0.00 C ATOM 708 C ARG A 131 23.195 -12.273 -6.091 1.00 0.00 C ATOM 709 O ARG A 131 23.478 -13.407 -6.473 1.00 0.00 O ATOM 710 CB ARG A 131 24.672 -10.831 -4.632 1.00 0.00 C ATOM 711 CG ARG A 131 25.373 -12.023 -3.965 1.00 0.00 C ATOM 712 CD ARG A 131 24.358 -12.872 -3.188 1.00 0.00 C ATOM 713 NE ARG A 131 25.035 -13.916 -2.408 1.00 0.00 N ATOM 714 CZ ARG A 131 24.377 -14.919 -1.798 1.00 0.00 C ATOM 715 NH1 ARG A 131 23.041 -14.997 -1.881 1.00 0.00 N ATOM 716 NH2 ARG A 131 25.058 -15.841 -1.105 1.00 0.00 N ATOM 0 H ARG A 131 23.786 -9.144 -6.117 1.00 0.00 H new ATOM 0 HA ARG A 131 25.128 -11.546 -6.614 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.338 -9.968 -4.638 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.792 -10.550 -4.053 1.00 0.00 H new ATOM 0 HG2 ARG A 131 25.865 -12.634 -4.722 1.00 0.00 H new ATOM 0 HG3 ARG A 131 26.150 -11.665 -3.290 1.00 0.00 H new ATOM 0 HD2 ARG A 131 23.778 -12.233 -2.522 1.00 0.00 H new ATOM 0 HD3 ARG A 131 23.654 -13.330 -3.883 1.00 0.00 H new ATOM 0 HE ARG A 131 26.051 -13.879 -2.325 1.00 0.00 H new ATOM 0 HH11 ARG A 131 22.521 -14.295 -2.407 1.00 0.00 H new ATOM 0 HH12 ARG A 131 22.545 -15.758 -1.418 1.00 0.00 H new ATOM 0 HH21 ARG A 131 26.074 -15.782 -1.040 1.00 0.00 H new ATOM 0 HH22 ARG A 131 24.560 -16.602 -0.642 1.00 0.00 H new ATOM 730 N GLU A 132 21.973 -11.926 -5.674 1.00 0.00 N ATOM 731 CA GLU A 132 20.866 -12.864 -5.635 1.00 0.00 C ATOM 732 C GLU A 132 20.585 -13.397 -7.035 1.00 0.00 C ATOM 733 O GLU A 132 20.624 -14.603 -7.248 1.00 0.00 O ATOM 734 CB GLU A 132 19.639 -12.149 -5.054 1.00 0.00 C ATOM 735 CG GLU A 132 18.500 -13.141 -4.818 1.00 0.00 C ATOM 736 CD GLU A 132 17.255 -12.410 -4.336 1.00 0.00 C ATOM 737 OE1 GLU A 132 17.290 -11.919 -3.186 1.00 0.00 O ATOM 738 OE2 GLU A 132 16.288 -12.344 -5.126 1.00 0.00 O ATOM 0 H GLU A 132 21.732 -10.987 -5.356 1.00 0.00 H new ATOM 0 HA GLU A 132 21.113 -13.716 -5.002 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.905 -11.663 -4.116 1.00 0.00 H new ATOM 0 HB3 GLU A 132 19.311 -11.366 -5.737 1.00 0.00 H new ATOM 0 HG2 GLU A 132 18.280 -13.679 -5.740 1.00 0.00 H new ATOM 0 HG3 GLU A 132 18.803 -13.884 -4.080 1.00 0.00 H new ATOM 745 N ARG A 133 20.307 -12.498 -7.989 1.00 0.00 N ATOM 746 CA ARG A 133 20.016 -12.889 -9.362 1.00 0.00 C ATOM 747 C ARG A 133 21.027 -13.933 -9.833 1.00 0.00 C ATOM 748 O ARG A 133 20.663 -14.895 -10.511 1.00 0.00 O ATOM 749 CB ARG A 133 20.058 -11.647 -10.269 1.00 0.00 C ATOM 750 CG ARG A 133 19.572 -11.991 -11.687 1.00 0.00 C ATOM 751 CD ARG A 133 18.054 -12.186 -11.698 1.00 0.00 C ATOM 752 NE ARG A 133 17.574 -12.450 -13.060 1.00 0.00 N ATOM 753 CZ ARG A 133 16.358 -12.955 -13.335 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.556 -13.353 -12.346 1.00 0.00 N ATOM 755 NH2 ARG A 133 15.949 -13.056 -14.602 1.00 0.00 N ATOM 0 H ARG A 133 20.279 -11.491 -7.827 1.00 0.00 H new ATOM 0 HA ARG A 133 19.020 -13.329 -9.412 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.433 -10.861 -9.846 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.075 -11.257 -10.313 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.848 -11.193 -12.376 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.064 -12.898 -12.037 1.00 0.00 H new ATOM 0 HD2 ARG A 133 17.784 -13.016 -11.045 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.565 -11.296 -11.301 1.00 0.00 H new ATOM 0 HE ARG A 133 18.196 -12.239 -13.840 1.00 0.00 H new ATOM 0 HH11 ARG A 133 15.864 -13.275 -11.377 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.635 -13.735 -12.559 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.559 -12.750 -15.361 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.027 -13.439 -14.811 1.00 0.00 H new ATOM 769 N TRP A 134 22.298 -13.740 -9.471 1.00 0.00 N ATOM 770 CA TRP A 134 23.348 -14.642 -9.877 1.00 0.00 C ATOM 771 C TRP A 134 23.260 -15.977 -9.131 1.00 0.00 C ATOM 772 O TRP A 134 23.081 -17.018 -9.755 1.00 0.00 O ATOM 773 CB TRP A 134 24.711 -13.981 -9.657 1.00 0.00 C ATOM 774 CG TRP A 134 25.781 -14.576 -10.499 1.00 0.00 C ATOM 775 CD1 TRP A 134 26.835 -15.291 -10.070 1.00 0.00 C ATOM 776 CD2 TRP A 134 25.893 -14.540 -11.941 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.600 -15.714 -11.131 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.053 -15.277 -12.329 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.122 -13.961 -12.971 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.416 -15.437 -13.668 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.482 -14.115 -14.312 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.619 -14.859 -14.667 1.00 0.00 C ATOM 0 H TRP A 134 22.613 -12.960 -8.895 1.00 0.00 H new ATOM 0 HA TRP A 134 23.226 -14.858 -10.938 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.633 -12.916 -9.875 1.00 0.00 H new ATOM 0 HB3 TRP A 134 24.989 -14.072 -8.607 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.051 -15.504 -9.034 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.451 -16.271 -11.049 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.240 -13.390 -12.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.300 -15.999 -13.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.880 -13.657 -15.083 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.879 -14.986 -15.707 1.00 0.00 H new ATOM 793 N HIS A 135 23.401 -15.954 -7.800 1.00 0.00 N ATOM 794 CA HIS A 135 23.431 -17.180 -7.004 1.00 0.00 C ATOM 795 C HIS A 135 22.025 -17.752 -6.755 1.00 0.00 C ATOM 796 O HIS A 135 21.751 -18.265 -5.671 1.00 0.00 O ATOM 797 CB HIS A 135 24.164 -16.897 -5.688 1.00 0.00 C ATOM 798 CG HIS A 135 25.641 -16.677 -5.899 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.466 -17.640 -6.471 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.470 -15.620 -5.632 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.707 -17.117 -6.510 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.780 -15.882 -6.008 1.00 0.00 N ATOM 0 H HIS A 135 23.496 -15.097 -7.254 1.00 0.00 H new ATOM 0 HA HIS A 135 23.968 -17.946 -7.564 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.731 -16.016 -5.214 1.00 0.00 H new ATOM 0 HB3 HIS A 135 24.016 -17.733 -5.004 1.00 0.00 H new ATOM 0 HD1 HIS A 135 26.185 -18.564 -6.798 1.00 0.00 H new ATOM 0 HD2 HIS A 135 26.143 -14.694 -5.183 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.560 -17.646 -6.909 1.00 0.00 H new ATOM 810 N ASN A 136 21.149 -17.688 -7.767 1.00 0.00 N ATOM 811 CA ASN A 136 19.817 -18.288 -7.693 1.00 0.00 C ATOM 812 C ASN A 136 19.496 -18.957 -9.016 1.00 0.00 C ATOM 813 O ASN A 136 19.452 -20.182 -9.108 1.00 0.00 O ATOM 814 CB ASN A 136 18.755 -17.224 -7.393 1.00 0.00 C ATOM 815 CG ASN A 136 18.651 -16.964 -5.905 1.00 0.00 C ATOM 816 OD1 ASN A 136 17.716 -17.421 -5.253 1.00 0.00 O ATOM 817 ND2 ASN A 136 19.608 -16.230 -5.369 1.00 0.00 N ATOM 0 H ASN A 136 21.345 -17.221 -8.653 1.00 0.00 H new ATOM 0 HA ASN A 136 19.810 -19.023 -6.888 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.006 -16.298 -7.911 1.00 0.00 H new ATOM 0 HB3 ASN A 136 17.789 -17.551 -7.777 1.00 0.00 H new ATOM 0 HD21 ASN A 136 19.591 -16.020 -4.371 1.00 0.00 H new ATOM 0 HD22 ASN A 136 20.364 -15.873 -5.953 1.00 0.00 H new ATOM 824 N HIS A 137 19.257 -18.136 -10.034 1.00 0.00 N ATOM 825 CA HIS A 137 18.869 -18.625 -11.354 1.00 0.00 C ATOM 826 C HIS A 137 20.076 -19.168 -12.124 1.00 0.00 C ATOM 827 O HIS A 137 20.192 -20.377 -12.311 1.00 0.00 O ATOM 828 CB HIS A 137 18.191 -17.497 -12.139 1.00 0.00 C ATOM 829 CG HIS A 137 17.170 -16.759 -11.326 1.00 0.00 C ATOM 830 ND1 HIS A 137 15.855 -17.183 -11.187 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.253 -15.612 -10.594 1.00 0.00 C ATOM 832 CE1 HIS A 137 15.240 -16.279 -10.396 1.00 0.00 C ATOM 833 NE2 HIS A 137 16.043 -15.289 -9.999 1.00 0.00 N ATOM 0 H HIS A 137 19.326 -17.120 -9.969 1.00 0.00 H new ATOM 0 HA HIS A 137 18.166 -19.448 -11.226 1.00 0.00 H new ATOM 0 HB2 HIS A 137 18.949 -16.795 -12.487 1.00 0.00 H new ATOM 0 HB3 HIS A 137 17.712 -17.913 -13.025 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.154 -15.025 -10.490 1.00 0.00 H new ATOM 0 HE1 HIS A 137 14.200 -16.349 -10.112 1.00 0.00 H new ATOM 0 HE2 HIS A 137 15.821 -14.491 -9.404 1.00 0.00 H new ATOM 841 N LEU A 138 20.962 -18.270 -12.586 1.00 0.00 N ATOM 842 CA LEU A 138 22.119 -18.655 -13.391 1.00 0.00 C ATOM 843 C LEU A 138 23.416 -18.312 -12.662 1.00 0.00 C ATOM 844 O LEU A 138 23.738 -17.141 -12.477 1.00 0.00 O ATOM 845 CB LEU A 138 22.055 -17.952 -14.761 1.00 0.00 C ATOM 846 CG LEU A 138 21.759 -16.446 -14.600 1.00 0.00 C ATOM 847 CD1 LEU A 138 22.708 -15.639 -15.475 1.00 0.00 C ATOM 848 CD2 LEU A 138 20.320 -16.152 -15.027 1.00 0.00 C ATOM 0 H LEU A 138 20.892 -17.268 -12.411 1.00 0.00 H new ATOM 0 HA LEU A 138 22.101 -19.733 -13.550 1.00 0.00 H new ATOM 0 HB2 LEU A 138 23.001 -18.086 -15.286 1.00 0.00 H new ATOM 0 HB3 LEU A 138 21.282 -18.414 -15.374 1.00 0.00 H new ATOM 0 HG LEU A 138 21.896 -16.169 -13.555 1.00 0.00 H new ATOM 0 HD11 LEU A 138 22.496 -14.576 -15.358 1.00 0.00 H new ATOM 0 HD12 LEU A 138 23.737 -15.838 -15.176 1.00 0.00 H new ATOM 0 HD13 LEU A 138 22.572 -15.924 -16.518 1.00 0.00 H new ATOM 0 HD21 LEU A 138 20.116 -15.087 -14.911 1.00 0.00 H new ATOM 0 HD22 LEU A 138 20.185 -16.436 -16.071 1.00 0.00 H new ATOM 0 HD23 LEU A 138 19.632 -16.723 -14.404 1.00 0.00 H new ATOM 860 N ASN A 139 24.167 -19.348 -12.257 1.00 0.00 N ATOM 861 CA ASN A 139 25.435 -19.165 -11.565 1.00 0.00 C ATOM 862 C ASN A 139 26.547 -19.969 -12.253 1.00 0.00 C ATOM 863 O ASN A 139 27.148 -20.840 -11.626 1.00 0.00 O ATOM 864 CB ASN A 139 25.271 -19.607 -10.105 1.00 0.00 C ATOM 865 CG ASN A 139 26.547 -19.359 -9.302 1.00 0.00 C ATOM 866 OD1 ASN A 139 27.259 -18.388 -9.540 1.00 0.00 O ATOM 867 ND2 ASN A 139 26.835 -20.244 -8.346 1.00 0.00 N ATOM 0 H ASN A 139 23.908 -20.324 -12.402 1.00 0.00 H new ATOM 0 HA ASN A 139 25.719 -18.113 -11.597 1.00 0.00 H new ATOM 0 HB2 ASN A 139 24.442 -19.065 -9.650 1.00 0.00 H new ATOM 0 HB3 ASN A 139 25.017 -20.666 -10.070 1.00 0.00 H new ATOM 0 HD21 ASN A 139 27.675 -20.127 -7.779 1.00 0.00 H new ATOM 0 HD22 ASN A 139 26.215 -21.037 -8.182 1.00 0.00 H new ATOM 874 N PRO A 140 26.843 -19.681 -13.540 1.00 0.00 N ATOM 875 CA PRO A 140 27.922 -20.340 -14.246 1.00 0.00 C ATOM 876 C PRO A 140 29.236 -20.019 -13.547 1.00 0.00 C ATOM 877 O PRO A 140 29.952 -20.921 -13.111 1.00 0.00 O ATOM 878 CB PRO A 140 27.890 -19.784 -15.673 1.00 0.00 C ATOM 879 CG PRO A 140 26.909 -18.606 -15.659 1.00 0.00 C ATOM 880 CD PRO A 140 26.145 -18.694 -14.338 1.00 0.00 C ATOM 0 HA PRO A 140 27.820 -21.425 -14.262 1.00 0.00 H new ATOM 0 HB2 PRO A 140 28.882 -19.459 -15.985 1.00 0.00 H new ATOM 0 HB3 PRO A 140 27.568 -20.549 -16.380 1.00 0.00 H new ATOM 0 HG2 PRO A 140 27.440 -17.658 -15.737 1.00 0.00 H new ATOM 0 HG3 PRO A 140 26.226 -18.660 -16.507 1.00 0.00 H new ATOM 0 HD2 PRO A 140 26.124 -17.728 -13.834 1.00 0.00 H new ATOM 0 HD3 PRO A 140 25.109 -18.989 -14.505 1.00 0.00 H new ATOM 888 N GLU A 141 29.539 -18.721 -13.430 1.00 0.00 N ATOM 889 CA GLU A 141 30.732 -18.265 -12.748 1.00 0.00 C ATOM 890 C GLU A 141 30.461 -18.268 -11.245 1.00 0.00 C ATOM 891 O GLU A 141 30.339 -17.220 -10.621 1.00 0.00 O ATOM 892 CB GLU A 141 31.109 -16.859 -13.244 1.00 0.00 C ATOM 893 CG GLU A 141 31.173 -16.830 -14.778 1.00 0.00 C ATOM 894 CD GLU A 141 32.119 -17.899 -15.312 1.00 0.00 C ATOM 895 OE1 GLU A 141 33.306 -17.852 -14.922 1.00 0.00 O ATOM 896 OE2 GLU A 141 31.637 -18.741 -16.100 1.00 0.00 O ATOM 0 H GLU A 141 28.961 -17.970 -13.807 1.00 0.00 H new ATOM 0 HA GLU A 141 31.571 -18.928 -12.959 1.00 0.00 H new ATOM 0 HB2 GLU A 141 30.376 -16.134 -12.891 1.00 0.00 H new ATOM 0 HB3 GLU A 141 32.073 -16.566 -12.828 1.00 0.00 H new ATOM 0 HG2 GLU A 141 30.175 -16.986 -15.189 1.00 0.00 H new ATOM 0 HG3 GLU A 141 31.505 -15.847 -15.112 1.00 0.00 H new HETATM 903 N NH2 A 142 30.356 -19.457 -10.666 1.00 0.00 N TER 906 NH2 A 142