USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=11 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 109 LYS NZ :NH3+ -144:sc= 0.718 (180deg=0.127) USER MOD Set 1.2: A 110 TYR OH : rot -151:sc= 0 USER MOD Set 1.3: A 121 HIS : no HE2:sc= -0.527 X(o=0.19,f=0.035) USER MOD Set 2.1: A 97 LYS NZ :NH3+ -153:sc= 2.43 (180deg=0.664) USER MOD Set 2.2: A 101 GLN : amide:sc= 0.654 K(o=3.1,f=-8.7!) USER MOD Single : A 92 LYS NZ :NH3+ -175:sc= 1.28 (180deg=1.16) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.151 USER MOD Single : A 108 GLN : amide:sc= 1.15 K(o=1.2,f=-0.017) USER MOD Single : A 113 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0795) USER MOD Single : A 116 SER OG : rot 180:sc= 0.0255 USER MOD Single : A 120 LYS NZ :NH3+ -124:sc= -0.258 (180deg=-1.24) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ -164:sc= 1.25 (180deg=1.05) USER MOD Single : A 129 GLN : amide:sc= -0.359 K(o=-0.36,f=-9.1!) USER MOD Single : A 130 CYS SG : rot 180:sc= 0.0122 USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 136 ASN : amide:sc= 1.12 K(o=1.1,f=-0.023) USER MOD Single : A 137 HIS : no HD1:sc= -0.0626 X(o=-0.063,f=-0.0073) USER MOD Single : A 139 ASN : amide:sc= -0.426 K(o=-0.43,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 90 12.047 -4.732 -0.565 1.00 0.00 N ATOM 2 CA LEU A 90 12.203 -5.917 -1.431 1.00 0.00 C ATOM 3 C LEU A 90 13.022 -5.554 -2.667 1.00 0.00 C ATOM 4 O LEU A 90 14.146 -6.026 -2.822 1.00 0.00 O ATOM 5 CB LEU A 90 10.827 -6.473 -1.851 1.00 0.00 C ATOM 6 CG LEU A 90 10.331 -7.565 -0.878 1.00 0.00 C ATOM 7 CD1 LEU A 90 11.194 -8.828 -1.010 1.00 0.00 C ATOM 8 CD2 LEU A 90 10.364 -7.061 0.569 1.00 0.00 C ATOM 0 HA LEU A 90 12.727 -6.690 -0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.101 -5.660 -1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 90 10.893 -6.885 -2.858 1.00 0.00 H new ATOM 0 HG LEU A 90 9.301 -7.808 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.833 -9.589 -0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.132 -9.206 -2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 90 12.231 -8.587 -0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.010 -7.847 1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.385 -6.790 0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.720 -6.187 0.665 1.00 0.00 H new ATOM 22 N ILE A 91 12.445 -4.713 -3.542 1.00 0.00 N ATOM 23 CA ILE A 91 13.097 -4.278 -4.774 1.00 0.00 C ATOM 24 C ILE A 91 13.518 -5.499 -5.596 1.00 0.00 C ATOM 25 O ILE A 91 14.700 -5.826 -5.678 1.00 0.00 O ATOM 26 CB ILE A 91 14.306 -3.375 -4.457 1.00 0.00 C ATOM 27 CG1 ILE A 91 13.915 -2.265 -3.457 1.00 0.00 C ATOM 28 CG2 ILE A 91 14.826 -2.744 -5.759 1.00 0.00 C ATOM 29 CD1 ILE A 91 12.731 -1.441 -3.979 1.00 0.00 C ATOM 0 H ILE A 91 11.513 -4.320 -3.409 1.00 0.00 H new ATOM 0 HA ILE A 91 12.392 -3.691 -5.363 1.00 0.00 H new ATOM 0 HB ILE A 91 15.089 -3.983 -4.004 1.00 0.00 H new ATOM 0 HG12 ILE A 91 13.656 -2.711 -2.497 1.00 0.00 H new ATOM 0 HG13 ILE A 91 14.769 -1.610 -3.284 1.00 0.00 H new ATOM 0 HG21 ILE A 91 15.681 -2.105 -5.538 1.00 0.00 H new ATOM 0 HG22 ILE A 91 15.130 -3.531 -6.449 1.00 0.00 H new ATOM 0 HG23 ILE A 91 14.036 -2.148 -6.215 1.00 0.00 H new ATOM 0 HD11 ILE A 91 12.478 -0.667 -3.254 1.00 0.00 H new ATOM 0 HD12 ILE A 91 13.001 -0.976 -4.927 1.00 0.00 H new ATOM 0 HD13 ILE A 91 11.871 -2.094 -4.128 1.00 0.00 H new ATOM 41 N LYS A 92 12.535 -6.166 -6.204 1.00 0.00 N ATOM 42 CA LYS A 92 12.778 -7.335 -7.030 1.00 0.00 C ATOM 43 C LYS A 92 11.739 -7.370 -8.139 1.00 0.00 C ATOM 44 O LYS A 92 10.635 -7.875 -7.945 1.00 0.00 O ATOM 45 CB LYS A 92 12.715 -8.593 -6.161 1.00 0.00 C ATOM 46 CG LYS A 92 12.955 -9.846 -7.019 1.00 0.00 C ATOM 47 CD LYS A 92 13.111 -11.080 -6.117 1.00 0.00 C ATOM 48 CE LYS A 92 14.530 -11.137 -5.535 1.00 0.00 C ATOM 49 NZ LYS A 92 14.716 -12.337 -4.701 1.00 0.00 N ATOM 0 H LYS A 92 11.551 -5.906 -6.133 1.00 0.00 H new ATOM 0 HA LYS A 92 13.769 -7.291 -7.482 1.00 0.00 H new ATOM 0 HB2 LYS A 92 13.464 -8.536 -5.371 1.00 0.00 H new ATOM 0 HB3 LYS A 92 11.742 -8.658 -5.674 1.00 0.00 H new ATOM 0 HG2 LYS A 92 12.122 -9.991 -7.706 1.00 0.00 H new ATOM 0 HG3 LYS A 92 13.850 -9.714 -7.627 1.00 0.00 H new ATOM 0 HD2 LYS A 92 12.380 -11.043 -5.309 1.00 0.00 H new ATOM 0 HD3 LYS A 92 12.908 -11.985 -6.689 1.00 0.00 H new ATOM 0 HE2 LYS A 92 15.259 -11.138 -6.346 1.00 0.00 H new ATOM 0 HE3 LYS A 92 14.718 -10.244 -4.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 15.654 -12.306 -4.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 13.982 -12.366 -3.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 14.644 -13.187 -5.295 1.00 0.00 H new ATOM 63 N GLY A 93 12.099 -6.823 -9.301 1.00 0.00 N ATOM 64 CA GLY A 93 11.207 -6.773 -10.439 1.00 0.00 C ATOM 65 C GLY A 93 11.508 -7.938 -11.373 1.00 0.00 C ATOM 66 O GLY A 93 12.492 -8.653 -11.172 1.00 0.00 O ATOM 0 H GLY A 93 13.015 -6.407 -9.470 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.171 -6.820 -10.104 1.00 0.00 H new ATOM 0 HA3 GLY A 93 11.329 -5.828 -10.968 1.00 0.00 H new ATOM 70 N PRO A 94 10.670 -8.134 -12.401 1.00 0.00 N ATOM 71 CA PRO A 94 10.863 -9.185 -13.370 1.00 0.00 C ATOM 72 C PRO A 94 12.152 -8.926 -14.140 1.00 0.00 C ATOM 73 O PRO A 94 12.190 -8.067 -15.020 1.00 0.00 O ATOM 74 CB PRO A 94 9.636 -9.138 -14.284 1.00 0.00 C ATOM 75 CG PRO A 94 8.891 -7.845 -13.941 1.00 0.00 C ATOM 76 CD PRO A 94 9.505 -7.314 -12.647 1.00 0.00 C ATOM 0 HA PRO A 94 10.958 -10.170 -12.913 1.00 0.00 H new ATOM 0 HB2 PRO A 94 9.932 -9.149 -15.333 1.00 0.00 H new ATOM 0 HB3 PRO A 94 8.999 -10.008 -14.124 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.992 -7.116 -14.745 1.00 0.00 H new ATOM 0 HG3 PRO A 94 7.825 -8.035 -13.814 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.779 -6.264 -12.746 1.00 0.00 H new ATOM 0 HD3 PRO A 94 8.797 -7.382 -11.821 1.00 0.00 H new ATOM 84 N TRP A 95 13.210 -9.664 -13.798 1.00 0.00 N ATOM 85 CA TRP A 95 14.501 -9.505 -14.438 1.00 0.00 C ATOM 86 C TRP A 95 14.363 -9.700 -15.941 1.00 0.00 C ATOM 87 O TRP A 95 13.843 -10.718 -16.395 1.00 0.00 O ATOM 88 CB TRP A 95 15.486 -10.502 -13.842 1.00 0.00 C ATOM 89 CG TRP A 95 16.225 -9.982 -12.657 1.00 0.00 C ATOM 90 CD1 TRP A 95 15.730 -9.857 -11.414 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.590 -9.481 -12.583 1.00 0.00 C ATOM 92 NE1 TRP A 95 16.671 -9.326 -10.563 1.00 0.00 N ATOM 93 CE2 TRP A 95 17.851 -9.072 -11.238 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.638 -9.323 -13.515 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.081 -8.536 -10.844 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.875 -8.774 -13.126 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.094 -8.375 -11.795 1.00 0.00 C ATOM 0 H TRP A 95 13.189 -10.382 -13.074 1.00 0.00 H new ATOM 0 HA TRP A 95 14.879 -8.498 -14.263 1.00 0.00 H new ATOM 0 HB2 TRP A 95 14.946 -11.404 -13.555 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.205 -10.791 -14.609 1.00 0.00 H new ATOM 0 HD1 TRP A 95 14.728 -10.136 -11.122 1.00 0.00 H new ATOM 0 HE1 TRP A 95 16.519 -9.145 -9.571 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.489 -9.627 -14.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.247 -8.249 -9.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.663 -8.658 -13.856 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.042 -7.945 -11.508 1.00 0.00 H new ATOM 108 N THR A 96 14.827 -8.711 -16.705 1.00 0.00 N ATOM 109 CA THR A 96 14.735 -8.745 -18.152 1.00 0.00 C ATOM 110 C THR A 96 15.941 -9.495 -18.720 1.00 0.00 C ATOM 111 O THR A 96 16.987 -9.576 -18.075 1.00 0.00 O ATOM 112 CB THR A 96 14.651 -7.305 -18.696 1.00 0.00 C ATOM 113 OG1 THR A 96 15.948 -6.787 -18.903 1.00 0.00 O ATOM 114 CG2 THR A 96 13.893 -6.406 -17.701 1.00 0.00 C ATOM 0 H THR A 96 15.273 -7.872 -16.335 1.00 0.00 H new ATOM 0 HA THR A 96 13.833 -9.273 -18.461 1.00 0.00 H new ATOM 0 HB THR A 96 14.115 -7.323 -19.645 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.884 -5.873 -19.250 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.840 -5.391 -18.095 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.884 -6.793 -17.557 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.418 -6.397 -16.746 1.00 0.00 H new ATOM 122 N LYS A 97 15.791 -10.048 -19.931 1.00 0.00 N ATOM 123 CA LYS A 97 16.862 -10.797 -20.575 1.00 0.00 C ATOM 124 C LYS A 97 18.106 -9.917 -20.710 1.00 0.00 C ATOM 125 O LYS A 97 19.224 -10.400 -20.532 1.00 0.00 O ATOM 126 CB LYS A 97 16.377 -11.293 -21.950 1.00 0.00 C ATOM 127 CG LYS A 97 17.514 -11.998 -22.714 1.00 0.00 C ATOM 128 CD LYS A 97 17.824 -13.367 -22.084 1.00 0.00 C ATOM 129 CE LYS A 97 19.316 -13.684 -22.240 1.00 0.00 C ATOM 130 NZ LYS A 97 20.127 -12.946 -21.252 1.00 0.00 N ATOM 0 H LYS A 97 14.934 -9.987 -20.480 1.00 0.00 H new ATOM 0 HA LYS A 97 17.129 -11.662 -19.967 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.541 -11.980 -21.819 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.008 -10.451 -22.535 1.00 0.00 H new ATOM 0 HG2 LYS A 97 17.231 -12.128 -23.759 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.408 -11.375 -22.701 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.552 -13.362 -21.028 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.226 -14.142 -22.563 1.00 0.00 H new ATOM 0 HE2 LYS A 97 19.477 -14.755 -22.119 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.642 -13.425 -23.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 21.085 -12.799 -21.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 19.685 -12.024 -21.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 20.183 -13.494 -20.370 1.00 0.00 H new ATOM 144 N GLU A 98 17.910 -8.631 -21.022 1.00 0.00 N ATOM 145 CA GLU A 98 19.014 -7.696 -21.166 1.00 0.00 C ATOM 146 C GLU A 98 19.704 -7.525 -19.818 1.00 0.00 C ATOM 147 O GLU A 98 20.919 -7.639 -19.729 1.00 0.00 O ATOM 148 CB GLU A 98 18.483 -6.354 -21.693 1.00 0.00 C ATOM 149 CG GLU A 98 19.650 -5.453 -22.134 1.00 0.00 C ATOM 150 CD GLU A 98 20.388 -4.851 -20.938 1.00 0.00 C ATOM 151 OE1 GLU A 98 19.694 -4.308 -20.054 1.00 0.00 O ATOM 152 OE2 GLU A 98 21.636 -4.942 -20.934 1.00 0.00 O ATOM 0 H GLU A 98 16.990 -8.220 -21.179 1.00 0.00 H new ATOM 0 HA GLU A 98 19.742 -8.078 -21.881 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.810 -6.526 -22.533 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.903 -5.855 -20.917 1.00 0.00 H new ATOM 0 HG2 GLU A 98 20.348 -6.033 -22.737 1.00 0.00 H new ATOM 0 HG3 GLU A 98 19.271 -4.651 -22.768 1.00 0.00 H new ATOM 159 N GLU A 99 18.916 -7.255 -18.770 1.00 0.00 N ATOM 160 CA GLU A 99 19.439 -7.071 -17.423 1.00 0.00 C ATOM 161 C GLU A 99 20.322 -8.266 -17.053 1.00 0.00 C ATOM 162 O GLU A 99 21.441 -8.092 -16.568 1.00 0.00 O ATOM 163 CB GLU A 99 18.259 -6.941 -16.449 1.00 0.00 C ATOM 164 CG GLU A 99 18.284 -5.571 -15.766 1.00 0.00 C ATOM 165 CD GLU A 99 16.946 -5.279 -15.096 1.00 0.00 C ATOM 166 OE1 GLU A 99 16.213 -6.263 -14.828 1.00 0.00 O ATOM 167 OE2 GLU A 99 16.677 -4.085 -14.855 1.00 0.00 O ATOM 0 H GLU A 99 17.903 -7.159 -18.838 1.00 0.00 H new ATOM 0 HA GLU A 99 20.045 -6.167 -17.369 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.319 -7.070 -16.986 1.00 0.00 H new ATOM 0 HB3 GLU A 99 18.309 -7.730 -15.699 1.00 0.00 H new ATOM 0 HG2 GLU A 99 19.082 -5.544 -15.024 1.00 0.00 H new ATOM 0 HG3 GLU A 99 18.505 -4.797 -16.501 1.00 0.00 H new ATOM 174 N ASP A 100 19.813 -9.481 -17.296 1.00 0.00 N ATOM 175 CA ASP A 100 20.552 -10.704 -17.019 1.00 0.00 C ATOM 176 C ASP A 100 21.835 -10.735 -17.847 1.00 0.00 C ATOM 177 O ASP A 100 22.909 -11.004 -17.315 1.00 0.00 O ATOM 178 CB ASP A 100 19.671 -11.916 -17.349 1.00 0.00 C ATOM 179 CG ASP A 100 18.931 -12.403 -16.119 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.613 -12.883 -15.190 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.691 -12.290 -16.129 1.00 0.00 O ATOM 0 H ASP A 100 18.884 -9.636 -17.687 1.00 0.00 H new ATOM 0 HA ASP A 100 20.821 -10.737 -15.963 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.955 -11.648 -18.126 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.289 -12.721 -17.748 1.00 0.00 H new ATOM 186 N GLN A 101 21.721 -10.457 -19.154 1.00 0.00 N ATOM 187 CA GLN A 101 22.871 -10.451 -20.049 1.00 0.00 C ATOM 188 C GLN A 101 23.925 -9.475 -19.530 1.00 0.00 C ATOM 189 O GLN A 101 25.122 -9.734 -19.637 1.00 0.00 O ATOM 190 CB GLN A 101 22.416 -10.059 -21.463 1.00 0.00 C ATOM 191 CG GLN A 101 23.480 -10.466 -22.489 1.00 0.00 C ATOM 192 CD GLN A 101 23.638 -11.983 -22.548 1.00 0.00 C ATOM 193 OE1 GLN A 101 22.658 -12.719 -22.425 1.00 0.00 O ATOM 194 NE2 GLN A 101 24.871 -12.452 -22.732 1.00 0.00 N ATOM 0 H GLN A 101 20.836 -10.233 -19.610 1.00 0.00 H new ATOM 0 HA GLN A 101 23.313 -11.447 -20.087 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.469 -10.545 -21.697 1.00 0.00 H new ATOM 0 HB3 GLN A 101 22.243 -8.984 -21.513 1.00 0.00 H new ATOM 0 HG2 GLN A 101 23.203 -10.088 -23.473 1.00 0.00 H new ATOM 0 HG3 GLN A 101 24.434 -10.008 -22.228 1.00 0.00 H new ATOM 0 HE21 GLN A 101 25.654 -11.805 -22.829 1.00 0.00 H new ATOM 0 HE22 GLN A 101 25.033 -13.458 -22.776 1.00 0.00 H new ATOM 203 N ARG A 102 23.469 -8.356 -18.965 1.00 0.00 N ATOM 204 CA ARG A 102 24.348 -7.345 -18.421 1.00 0.00 C ATOM 205 C ARG A 102 25.191 -7.951 -17.298 1.00 0.00 C ATOM 206 O ARG A 102 26.410 -7.829 -17.310 1.00 0.00 O ATOM 207 CB ARG A 102 23.501 -6.167 -17.917 1.00 0.00 C ATOM 208 CG ARG A 102 24.135 -4.842 -18.345 1.00 0.00 C ATOM 209 CD ARG A 102 23.169 -3.694 -18.034 1.00 0.00 C ATOM 210 NE ARG A 102 23.724 -2.403 -18.461 1.00 0.00 N ATOM 211 CZ ARG A 102 23.687 -1.962 -19.734 1.00 0.00 C ATOM 212 NH1 ARG A 102 23.127 -2.705 -20.700 1.00 0.00 N ATOM 213 NH2 ARG A 102 24.215 -0.769 -20.038 1.00 0.00 N ATOM 0 H ARG A 102 22.477 -8.134 -18.876 1.00 0.00 H new ATOM 0 HA ARG A 102 25.029 -6.977 -19.189 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.489 -6.240 -18.315 1.00 0.00 H new ATOM 0 HB3 ARG A 102 23.420 -6.206 -16.831 1.00 0.00 H new ATOM 0 HG2 ARG A 102 25.078 -4.691 -17.820 1.00 0.00 H new ATOM 0 HG3 ARG A 102 24.363 -4.862 -19.411 1.00 0.00 H new ATOM 0 HD2 ARG A 102 22.218 -3.869 -18.538 1.00 0.00 H new ATOM 0 HD3 ARG A 102 22.963 -3.668 -16.964 1.00 0.00 H new ATOM 0 HE ARG A 102 24.161 -1.808 -17.757 1.00 0.00 H new ATOM 0 HH11 ARG A 102 22.723 -3.614 -20.475 1.00 0.00 H new ATOM 0 HH12 ARG A 102 23.105 -2.361 -21.660 1.00 0.00 H new ATOM 0 HH21 ARG A 102 24.642 -0.199 -19.308 1.00 0.00 H new ATOM 0 HH22 ARG A 102 24.190 -0.430 -21.000 1.00 0.00 H new ATOM 227 N VAL A 103 24.540 -8.612 -16.329 1.00 0.00 N ATOM 228 CA VAL A 103 25.248 -9.238 -15.216 1.00 0.00 C ATOM 229 C VAL A 103 26.213 -10.298 -15.747 1.00 0.00 C ATOM 230 O VAL A 103 27.371 -10.332 -15.341 1.00 0.00 O ATOM 231 CB VAL A 103 24.242 -9.859 -14.236 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.988 -10.642 -13.149 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.422 -8.751 -13.577 1.00 0.00 C ATOM 0 H VAL A 103 23.527 -8.724 -16.299 1.00 0.00 H new ATOM 0 HA VAL A 103 25.823 -8.481 -14.683 1.00 0.00 H new ATOM 0 HB VAL A 103 23.583 -10.533 -14.783 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.268 -11.080 -12.457 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.576 -11.435 -13.611 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.650 -9.969 -12.605 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.708 -9.192 -12.881 1.00 0.00 H new ATOM 0 HG22 VAL A 103 24.088 -8.078 -13.036 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.885 -8.192 -14.343 1.00 0.00 H new ATOM 243 N ILE A 104 25.734 -11.160 -16.655 1.00 0.00 N ATOM 244 CA ILE A 104 26.559 -12.213 -17.237 1.00 0.00 C ATOM 245 C ILE A 104 27.853 -11.612 -17.792 1.00 0.00 C ATOM 246 O ILE A 104 28.946 -12.073 -17.462 1.00 0.00 O ATOM 247 CB ILE A 104 25.767 -12.928 -18.352 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.661 -13.798 -17.740 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.711 -13.810 -19.184 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.736 -14.329 -18.841 1.00 0.00 C ATOM 0 H ILE A 104 24.774 -11.143 -17.000 1.00 0.00 H new ATOM 0 HA ILE A 104 26.820 -12.941 -16.469 1.00 0.00 H new ATOM 0 HB ILE A 104 25.315 -12.174 -18.997 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.104 -14.631 -17.194 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.085 -13.215 -17.021 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.144 -14.311 -19.969 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.485 -13.189 -19.636 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.175 -14.556 -18.539 1.00 0.00 H new ATOM 0 HD11 ILE A 104 22.955 -14.945 -18.395 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.280 -13.491 -19.369 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.314 -14.929 -19.544 1.00 0.00 H new ATOM 262 N GLU A 105 27.722 -10.588 -18.642 1.00 0.00 N ATOM 263 CA GLU A 105 28.867 -9.956 -19.274 1.00 0.00 C ATOM 264 C GLU A 105 29.768 -9.287 -18.231 1.00 0.00 C ATOM 265 O GLU A 105 30.983 -9.415 -18.297 1.00 0.00 O ATOM 266 CB GLU A 105 28.369 -8.933 -20.304 1.00 0.00 C ATOM 267 CG GLU A 105 29.539 -8.428 -21.158 1.00 0.00 C ATOM 268 CD GLU A 105 30.170 -9.566 -21.954 1.00 0.00 C ATOM 269 OE1 GLU A 105 29.539 -9.980 -22.950 1.00 0.00 O ATOM 270 OE2 GLU A 105 31.271 -10.003 -21.549 1.00 0.00 O ATOM 0 H GLU A 105 26.824 -10.182 -18.905 1.00 0.00 H new ATOM 0 HA GLU A 105 29.463 -10.715 -19.780 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.613 -9.388 -20.943 1.00 0.00 H new ATOM 0 HB3 GLU A 105 27.893 -8.095 -19.794 1.00 0.00 H new ATOM 0 HG2 GLU A 105 29.188 -7.654 -21.840 1.00 0.00 H new ATOM 0 HG3 GLU A 105 30.291 -7.969 -20.516 1.00 0.00 H new ATOM 277 N LEU A 106 29.176 -8.568 -17.272 1.00 0.00 N ATOM 278 CA LEU A 106 29.947 -7.864 -16.253 1.00 0.00 C ATOM 279 C LEU A 106 30.749 -8.851 -15.398 1.00 0.00 C ATOM 280 O LEU A 106 31.888 -8.564 -15.039 1.00 0.00 O ATOM 281 CB LEU A 106 29.009 -7.025 -15.384 1.00 0.00 C ATOM 282 CG LEU A 106 28.483 -5.818 -16.181 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.357 -5.146 -15.393 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.612 -4.810 -16.418 1.00 0.00 C ATOM 0 H LEU A 106 28.166 -8.461 -17.184 1.00 0.00 H new ATOM 0 HA LEU A 106 30.658 -7.200 -16.745 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.174 -7.636 -15.043 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.536 -6.681 -14.494 1.00 0.00 H new ATOM 0 HG LEU A 106 28.107 -6.161 -17.145 1.00 0.00 H new ATOM 0 HD11 LEU A 106 26.981 -4.290 -15.954 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.548 -5.859 -15.234 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.738 -4.809 -14.429 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.228 -3.960 -16.983 1.00 0.00 H new ATOM 0 HD22 LEU A 106 29.998 -4.464 -15.459 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.414 -5.288 -16.981 1.00 0.00 H new ATOM 296 N VAL A 107 30.168 -10.013 -15.075 1.00 0.00 N ATOM 297 CA VAL A 107 30.864 -11.021 -14.286 1.00 0.00 C ATOM 298 C VAL A 107 31.973 -11.636 -15.140 1.00 0.00 C ATOM 299 O VAL A 107 33.063 -11.896 -14.646 1.00 0.00 O ATOM 300 CB VAL A 107 29.863 -12.080 -13.794 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.605 -13.324 -13.300 1.00 0.00 C ATOM 302 CG2 VAL A 107 29.051 -11.504 -12.632 1.00 0.00 C ATOM 0 H VAL A 107 29.221 -10.272 -15.350 1.00 0.00 H new ATOM 0 HA VAL A 107 31.320 -10.570 -13.404 1.00 0.00 H new ATOM 0 HB VAL A 107 29.207 -12.353 -14.621 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.884 -14.065 -12.955 1.00 0.00 H new ATOM 0 HG12 VAL A 107 31.194 -13.744 -14.115 1.00 0.00 H new ATOM 0 HG13 VAL A 107 31.266 -13.051 -12.478 1.00 0.00 H new ATOM 0 HG21 VAL A 107 28.340 -12.251 -12.280 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.723 -11.231 -11.819 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.511 -10.619 -12.969 1.00 0.00 H new ATOM 312 N GLN A 108 31.697 -11.852 -16.429 1.00 0.00 N ATOM 313 CA GLN A 108 32.692 -12.381 -17.350 1.00 0.00 C ATOM 314 C GLN A 108 33.841 -11.374 -17.491 1.00 0.00 C ATOM 315 O GLN A 108 34.998 -11.762 -17.637 1.00 0.00 O ATOM 316 CB GLN A 108 32.021 -12.648 -18.704 1.00 0.00 C ATOM 317 CG GLN A 108 33.051 -13.160 -19.714 1.00 0.00 C ATOM 318 CD GLN A 108 32.366 -13.640 -20.990 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.414 -14.823 -21.313 1.00 0.00 O ATOM 320 NE2 GLN A 108 31.729 -12.721 -21.716 1.00 0.00 N ATOM 0 H GLN A 108 30.789 -11.666 -16.854 1.00 0.00 H new ATOM 0 HA GLN A 108 33.104 -13.317 -16.972 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.223 -13.381 -18.584 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.560 -11.733 -19.076 1.00 0.00 H new ATOM 0 HG2 GLN A 108 33.759 -12.366 -19.952 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.624 -13.976 -19.274 1.00 0.00 H new ATOM 0 HE21 GLN A 108 31.715 -11.748 -21.409 1.00 0.00 H new ATOM 0 HE22 GLN A 108 31.256 -12.991 -22.578 1.00 0.00 H new ATOM 329 N LYS A 109 33.504 -10.079 -17.446 1.00 0.00 N ATOM 330 CA LYS A 109 34.474 -9.006 -17.579 1.00 0.00 C ATOM 331 C LYS A 109 35.357 -8.919 -16.332 1.00 0.00 C ATOM 332 O LYS A 109 36.578 -9.014 -16.432 1.00 0.00 O ATOM 333 CB LYS A 109 33.714 -7.691 -17.804 1.00 0.00 C ATOM 334 CG LYS A 109 34.691 -6.565 -18.152 1.00 0.00 C ATOM 335 CD LYS A 109 33.898 -5.303 -18.510 1.00 0.00 C ATOM 336 CE LYS A 109 34.857 -4.153 -18.836 1.00 0.00 C ATOM 337 NZ LYS A 109 35.490 -3.622 -17.616 1.00 0.00 N ATOM 0 H LYS A 109 32.546 -9.754 -17.316 1.00 0.00 H new ATOM 0 HA LYS A 109 35.129 -9.201 -18.428 1.00 0.00 H new ATOM 0 HB2 LYS A 109 32.990 -7.815 -18.609 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.152 -7.430 -16.907 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.352 -6.367 -17.308 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.323 -6.861 -18.989 1.00 0.00 H new ATOM 0 HD2 LYS A 109 33.251 -5.501 -19.365 1.00 0.00 H new ATOM 0 HD3 LYS A 109 33.251 -5.023 -17.679 1.00 0.00 H new ATOM 0 HE2 LYS A 109 35.626 -4.502 -19.525 1.00 0.00 H new ATOM 0 HE3 LYS A 109 34.313 -3.356 -19.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 35.607 -2.593 -17.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 34.889 -3.832 -16.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 36.421 -4.066 -17.486 1.00 0.00 H new ATOM 351 N TYR A 110 34.736 -8.725 -15.160 1.00 0.00 N ATOM 352 CA TYR A 110 35.466 -8.588 -13.907 1.00 0.00 C ATOM 353 C TYR A 110 35.655 -9.954 -13.252 1.00 0.00 C ATOM 354 O TYR A 110 36.768 -10.478 -13.215 1.00 0.00 O ATOM 355 CB TYR A 110 34.700 -7.642 -12.972 1.00 0.00 C ATOM 356 CG TYR A 110 34.527 -6.248 -13.536 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.655 -5.457 -13.815 1.00 0.00 C ATOM 358 CD2 TYR A 110 33.236 -5.741 -13.777 1.00 0.00 C ATOM 359 CE1 TYR A 110 35.494 -4.164 -14.337 1.00 0.00 C ATOM 360 CE2 TYR A 110 33.078 -4.447 -14.299 1.00 0.00 C ATOM 361 CZ TYR A 110 34.206 -3.660 -14.579 1.00 0.00 C ATOM 362 OH TYR A 110 34.052 -2.407 -15.095 1.00 0.00 O ATOM 0 H TYR A 110 33.723 -8.660 -15.061 1.00 0.00 H new ATOM 0 HA TYR A 110 36.452 -8.169 -14.107 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.718 -8.066 -12.764 1.00 0.00 H new ATOM 0 HB3 TYR A 110 35.228 -7.578 -12.020 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.646 -5.844 -13.628 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.368 -6.346 -13.561 1.00 0.00 H new ATOM 0 HE1 TYR A 110 36.361 -3.557 -14.552 1.00 0.00 H new ATOM 0 HE2 TYR A 110 32.088 -4.057 -14.485 1.00 0.00 H new ATOM 0 HH TYR A 110 33.200 -2.030 -14.790 1.00 0.00 H new ATOM 372 N GLY A 111 34.567 -10.522 -12.724 1.00 0.00 N ATOM 373 CA GLY A 111 34.606 -11.807 -12.049 1.00 0.00 C ATOM 374 C GLY A 111 33.488 -11.875 -11.010 1.00 0.00 C ATOM 375 O GLY A 111 32.706 -10.931 -10.883 1.00 0.00 O ATOM 0 H GLY A 111 33.640 -10.099 -12.756 1.00 0.00 H new ATOM 0 HA2 GLY A 111 34.492 -12.613 -12.774 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.573 -11.946 -11.567 1.00 0.00 H new ATOM 379 N PRO A 112 33.415 -12.990 -10.262 1.00 0.00 N ATOM 380 CA PRO A 112 32.430 -13.176 -9.216 1.00 0.00 C ATOM 381 C PRO A 112 32.542 -12.067 -8.168 1.00 0.00 C ATOM 382 O PRO A 112 33.536 -11.339 -8.130 1.00 0.00 O ATOM 383 CB PRO A 112 32.723 -14.550 -8.604 1.00 0.00 C ATOM 384 CG PRO A 112 33.912 -15.139 -9.373 1.00 0.00 C ATOM 385 CD PRO A 112 34.315 -14.106 -10.424 1.00 0.00 C ATOM 0 HA PRO A 112 31.413 -13.129 -9.606 1.00 0.00 H new ATOM 0 HB2 PRO A 112 32.957 -14.458 -7.543 1.00 0.00 H new ATOM 0 HB3 PRO A 112 31.852 -15.201 -8.683 1.00 0.00 H new ATOM 0 HG2 PRO A 112 34.743 -15.349 -8.699 1.00 0.00 H new ATOM 0 HG3 PRO A 112 33.638 -16.083 -9.844 1.00 0.00 H new ATOM 0 HD2 PRO A 112 35.350 -13.794 -10.285 1.00 0.00 H new ATOM 0 HD3 PRO A 112 34.240 -14.523 -11.428 1.00 0.00 H new ATOM 393 N LYS A 113 31.514 -11.945 -7.316 1.00 0.00 N ATOM 394 CA LYS A 113 31.475 -10.922 -6.277 1.00 0.00 C ATOM 395 C LYS A 113 31.516 -9.537 -6.933 1.00 0.00 C ATOM 396 O LYS A 113 31.011 -9.366 -8.042 1.00 0.00 O ATOM 397 CB LYS A 113 32.640 -11.119 -5.287 1.00 0.00 C ATOM 398 CG LYS A 113 32.705 -12.582 -4.835 1.00 0.00 C ATOM 399 CD LYS A 113 33.707 -12.717 -3.684 1.00 0.00 C ATOM 400 CE LYS A 113 33.955 -14.198 -3.375 1.00 0.00 C ATOM 401 NZ LYS A 113 32.726 -14.863 -2.903 1.00 0.00 N ATOM 0 H LYS A 113 30.694 -12.552 -7.332 1.00 0.00 H new ATOM 0 HA LYS A 113 30.550 -11.007 -5.707 1.00 0.00 H new ATOM 0 HB2 LYS A 113 33.580 -10.834 -5.759 1.00 0.00 H new ATOM 0 HB3 LYS A 113 32.507 -10.469 -4.422 1.00 0.00 H new ATOM 0 HG2 LYS A 113 31.719 -12.919 -4.514 1.00 0.00 H new ATOM 0 HG3 LYS A 113 33.004 -13.218 -5.668 1.00 0.00 H new ATOM 0 HD2 LYS A 113 34.646 -12.230 -3.949 1.00 0.00 H new ATOM 0 HD3 LYS A 113 33.325 -12.211 -2.797 1.00 0.00 H new ATOM 0 HE2 LYS A 113 34.322 -14.701 -4.269 1.00 0.00 H new ATOM 0 HE3 LYS A 113 34.733 -14.288 -2.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 32.949 -15.835 -2.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 32.334 -14.336 -2.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 32.027 -14.888 -3.673 1.00 0.00 H new ATOM 415 N ARG A 114 32.118 -8.553 -6.246 1.00 0.00 N ATOM 416 CA ARG A 114 32.235 -7.192 -6.762 1.00 0.00 C ATOM 417 C ARG A 114 30.858 -6.677 -7.187 1.00 0.00 C ATOM 418 O ARG A 114 30.718 -6.031 -8.227 1.00 0.00 O ATOM 419 CB ARG A 114 33.216 -7.171 -7.946 1.00 0.00 C ATOM 420 CG ARG A 114 34.584 -7.718 -7.515 1.00 0.00 C ATOM 421 CD ARG A 114 35.409 -8.059 -8.756 1.00 0.00 C ATOM 422 NE ARG A 114 36.701 -8.649 -8.382 1.00 0.00 N ATOM 423 CZ ARG A 114 37.472 -9.335 -9.245 1.00 0.00 C ATOM 424 NH1 ARG A 114 37.080 -9.495 -10.515 1.00 0.00 N ATOM 425 NH2 ARG A 114 38.634 -9.858 -8.833 1.00 0.00 N ATOM 0 H ARG A 114 32.533 -8.683 -5.323 1.00 0.00 H new ATOM 0 HA ARG A 114 32.620 -6.537 -5.980 1.00 0.00 H new ATOM 0 HB2 ARG A 114 32.819 -7.770 -8.766 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.325 -6.152 -8.319 1.00 0.00 H new ATOM 0 HG2 ARG A 114 35.108 -6.980 -6.908 1.00 0.00 H new ATOM 0 HG3 ARG A 114 34.454 -8.606 -6.896 1.00 0.00 H new ATOM 0 HD2 ARG A 114 34.855 -8.756 -9.385 1.00 0.00 H new ATOM 0 HD3 ARG A 114 35.574 -7.158 -9.347 1.00 0.00 H new ATOM 0 HE ARG A 114 37.029 -8.533 -7.423 1.00 0.00 H new ATOM 0 HH11 ARG A 114 36.195 -9.096 -10.830 1.00 0.00 H new ATOM 0 HH12 ARG A 114 37.666 -10.015 -11.168 1.00 0.00 H new ATOM 0 HH21 ARG A 114 38.934 -9.736 -7.866 1.00 0.00 H new ATOM 0 HH22 ARG A 114 39.219 -10.378 -9.487 1.00 0.00 H new ATOM 439 N TRP A 115 29.842 -6.973 -6.373 1.00 0.00 N ATOM 440 CA TRP A 115 28.477 -6.579 -6.664 1.00 0.00 C ATOM 441 C TRP A 115 28.317 -5.065 -6.572 1.00 0.00 C ATOM 442 O TRP A 115 27.352 -4.522 -7.092 1.00 0.00 O ATOM 443 CB TRP A 115 27.540 -7.315 -5.714 1.00 0.00 C ATOM 444 CG TRP A 115 27.627 -8.800 -5.856 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.032 -9.661 -4.910 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.347 -9.618 -7.031 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.032 -10.951 -5.387 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.620 -10.983 -6.708 1.00 0.00 C ATOM 449 CE3 TRP A 115 26.898 -9.349 -8.346 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.465 -12.015 -7.638 1.00 0.00 C ATOM 451 CZ3 TRP A 115 26.737 -10.388 -9.282 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.028 -11.711 -8.933 1.00 0.00 C ATOM 0 H TRP A 115 29.950 -7.490 -5.500 1.00 0.00 H new ATOM 0 HA TRP A 115 28.221 -6.854 -7.687 1.00 0.00 H new ATOM 0 HB2 TRP A 115 27.778 -7.037 -4.687 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.515 -6.995 -5.901 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.320 -9.379 -3.908 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.299 -11.771 -4.842 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.676 -8.332 -8.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 27.680 -13.036 -7.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.386 -10.162 -10.278 1.00 0.00 H new ATOM 0 HH2 TRP A 115 26.915 -12.499 -9.663 1.00 0.00 H new ATOM 463 N SER A 116 29.269 -4.381 -5.930 1.00 0.00 N ATOM 464 CA SER A 116 29.248 -2.933 -5.848 1.00 0.00 C ATOM 465 C SER A 116 29.499 -2.357 -7.243 1.00 0.00 C ATOM 466 O SER A 116 28.783 -1.463 -7.690 1.00 0.00 O ATOM 467 CB SER A 116 30.322 -2.471 -4.862 1.00 0.00 C ATOM 468 OG SER A 116 31.543 -3.120 -5.153 1.00 0.00 O ATOM 0 H SER A 116 30.063 -4.817 -5.461 1.00 0.00 H new ATOM 0 HA SER A 116 28.280 -2.581 -5.492 1.00 0.00 H new ATOM 0 HB2 SER A 116 30.449 -1.390 -4.926 1.00 0.00 H new ATOM 0 HB3 SER A 116 30.013 -2.695 -3.841 1.00 0.00 H new ATOM 0 HG SER A 116 32.231 -2.822 -4.522 1.00 0.00 H new ATOM 474 N VAL A 117 30.520 -2.887 -7.929 1.00 0.00 N ATOM 475 CA VAL A 117 30.867 -2.454 -9.273 1.00 0.00 C ATOM 476 C VAL A 117 29.720 -2.782 -10.228 1.00 0.00 C ATOM 477 O VAL A 117 29.293 -1.930 -11.003 1.00 0.00 O ATOM 478 CB VAL A 117 32.166 -3.153 -9.708 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.499 -2.785 -11.157 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.318 -2.714 -8.798 1.00 0.00 C ATOM 0 H VAL A 117 31.122 -3.625 -7.563 1.00 0.00 H new ATOM 0 HA VAL A 117 31.028 -1.376 -9.291 1.00 0.00 H new ATOM 0 HB VAL A 117 32.029 -4.232 -9.632 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.420 -3.284 -11.457 1.00 0.00 H new ATOM 0 HG12 VAL A 117 31.685 -3.103 -11.809 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.629 -1.706 -11.238 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.237 -3.211 -9.109 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.447 -1.634 -8.870 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.090 -2.984 -7.767 1.00 0.00 H new ATOM 490 N ILE A 118 29.223 -4.022 -10.166 1.00 0.00 N ATOM 491 CA ILE A 118 28.133 -4.464 -11.025 1.00 0.00 C ATOM 492 C ILE A 118 26.885 -3.603 -10.773 1.00 0.00 C ATOM 493 O ILE A 118 26.223 -3.184 -11.720 1.00 0.00 O ATOM 494 CB ILE A 118 27.866 -5.957 -10.761 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.060 -6.784 -11.274 1.00 0.00 C ATOM 496 CG2 ILE A 118 26.587 -6.406 -11.482 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.092 -8.153 -10.595 1.00 0.00 C ATOM 0 H ILE A 118 29.565 -4.737 -9.524 1.00 0.00 H new ATOM 0 HA ILE A 118 28.402 -4.344 -12.074 1.00 0.00 H new ATOM 0 HB ILE A 118 27.739 -6.112 -9.690 1.00 0.00 H new ATOM 0 HG12 ILE A 118 28.987 -6.909 -12.354 1.00 0.00 H new ATOM 0 HG13 ILE A 118 29.991 -6.252 -11.077 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.411 -7.464 -11.286 1.00 0.00 H new ATOM 0 HG22 ILE A 118 25.741 -5.824 -11.118 1.00 0.00 H new ATOM 0 HG23 ILE A 118 26.700 -6.250 -12.555 1.00 0.00 H new ATOM 0 HD11 ILE A 118 29.942 -8.725 -10.969 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.188 -8.022 -9.517 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.169 -8.690 -10.814 1.00 0.00 H new ATOM 509 N ALA A 119 26.570 -3.334 -9.497 1.00 0.00 N ATOM 510 CA ALA A 119 25.409 -2.523 -9.137 1.00 0.00 C ATOM 511 C ALA A 119 25.559 -1.102 -9.685 1.00 0.00 C ATOM 512 O ALA A 119 24.590 -0.524 -10.171 1.00 0.00 O ATOM 513 CB ALA A 119 25.255 -2.495 -7.616 1.00 0.00 C ATOM 0 H ALA A 119 27.108 -3.670 -8.699 1.00 0.00 H new ATOM 0 HA ALA A 119 24.515 -2.965 -9.577 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.389 -1.890 -7.349 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.116 -3.511 -7.246 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.150 -2.065 -7.168 1.00 0.00 H new ATOM 519 N LYS A 120 26.776 -0.539 -9.609 1.00 0.00 N ATOM 520 CA LYS A 120 27.038 0.809 -10.109 1.00 0.00 C ATOM 521 C LYS A 120 26.686 0.905 -11.597 1.00 0.00 C ATOM 522 O LYS A 120 26.358 1.988 -12.083 1.00 0.00 O ATOM 523 CB LYS A 120 28.510 1.167 -9.874 1.00 0.00 C ATOM 524 CG LYS A 120 28.696 1.659 -8.434 1.00 0.00 C ATOM 525 CD LYS A 120 30.179 1.620 -8.038 1.00 0.00 C ATOM 526 CE LYS A 120 31.010 2.513 -8.971 1.00 0.00 C ATOM 527 NZ LYS A 120 31.522 1.756 -10.130 1.00 0.00 N ATOM 0 H LYS A 120 27.590 -1.001 -9.205 1.00 0.00 H new ATOM 0 HA LYS A 120 26.412 1.520 -9.569 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.140 0.296 -10.056 1.00 0.00 H new ATOM 0 HB3 LYS A 120 28.823 1.939 -10.576 1.00 0.00 H new ATOM 0 HG2 LYS A 120 28.315 2.676 -8.339 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.116 1.036 -7.753 1.00 0.00 H new ATOM 0 HD2 LYS A 120 30.295 1.954 -7.007 1.00 0.00 H new ATOM 0 HD3 LYS A 120 30.547 0.595 -8.084 1.00 0.00 H new ATOM 0 HE2 LYS A 120 30.398 3.345 -9.320 1.00 0.00 H new ATOM 0 HE3 LYS A 120 31.845 2.942 -8.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 32.557 1.844 -10.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 31.264 0.753 -10.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 31.106 2.136 -11.004 1.00 0.00 H new ATOM 541 N HIS A 121 26.748 -0.223 -12.317 1.00 0.00 N ATOM 542 CA HIS A 121 26.414 -0.257 -13.730 1.00 0.00 C ATOM 543 C HIS A 121 24.913 -0.472 -13.875 1.00 0.00 C ATOM 544 O HIS A 121 24.255 0.234 -14.640 1.00 0.00 O ATOM 545 CB HIS A 121 27.214 -1.367 -14.413 1.00 0.00 C ATOM 546 CG HIS A 121 28.694 -1.225 -14.169 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.319 0.013 -14.063 1.00 0.00 N ATOM 548 CD2 HIS A 121 29.698 -2.141 -13.991 1.00 0.00 C ATOM 549 CE1 HIS A 121 30.623 -0.227 -13.834 1.00 0.00 C ATOM 550 NE2 HIS A 121 30.923 -1.525 -13.779 1.00 0.00 N ATOM 0 H HIS A 121 27.029 -1.125 -11.933 1.00 0.00 H new ATOM 0 HA HIS A 121 26.674 0.686 -14.212 1.00 0.00 H new ATOM 0 HB2 HIS A 121 26.877 -2.336 -14.045 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.019 -1.348 -15.485 1.00 0.00 H new ATOM 0 HD1 HIS A 121 28.874 0.927 -14.143 1.00 0.00 H new ATOM 0 HD2 HIS A 121 29.553 -3.211 -14.013 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.356 0.556 -13.707 1.00 0.00 H new ATOM 558 N LEU A 122 24.367 -1.440 -13.125 1.00 0.00 N ATOM 559 CA LEU A 122 22.938 -1.703 -13.130 1.00 0.00 C ATOM 560 C LEU A 122 22.264 -0.736 -12.156 1.00 0.00 C ATOM 561 O LEU A 122 21.711 -1.152 -11.137 1.00 0.00 O ATOM 562 CB LEU A 122 22.666 -3.165 -12.733 1.00 0.00 C ATOM 563 CG LEU A 122 22.756 -4.081 -13.960 1.00 0.00 C ATOM 564 CD1 LEU A 122 24.213 -4.238 -14.402 1.00 0.00 C ATOM 565 CD2 LEU A 122 22.183 -5.454 -13.606 1.00 0.00 C ATOM 0 H LEU A 122 24.903 -2.050 -12.508 1.00 0.00 H new ATOM 0 HA LEU A 122 22.531 -1.551 -14.130 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.387 -3.484 -11.980 1.00 0.00 H new ATOM 0 HB3 LEU A 122 21.677 -3.248 -12.282 1.00 0.00 H new ATOM 0 HG LEU A 122 22.186 -3.638 -14.776 1.00 0.00 H new ATOM 0 HD11 LEU A 122 24.260 -4.891 -15.274 1.00 0.00 H new ATOM 0 HD12 LEU A 122 24.623 -3.261 -14.658 1.00 0.00 H new ATOM 0 HD13 LEU A 122 24.795 -4.674 -13.590 1.00 0.00 H new ATOM 0 HD21 LEU A 122 22.245 -6.109 -14.475 1.00 0.00 H new ATOM 0 HD22 LEU A 122 22.755 -5.886 -12.785 1.00 0.00 H new ATOM 0 HD23 LEU A 122 21.141 -5.347 -13.306 1.00 0.00 H new ATOM 577 N LYS A 123 22.323 0.563 -12.476 1.00 0.00 N ATOM 578 CA LYS A 123 21.748 1.602 -11.635 1.00 0.00 C ATOM 579 C LYS A 123 20.287 1.276 -11.331 1.00 0.00 C ATOM 580 O LYS A 123 19.460 1.220 -12.239 1.00 0.00 O ATOM 581 CB LYS A 123 21.873 2.955 -12.342 1.00 0.00 C ATOM 582 CG LYS A 123 23.353 3.324 -12.491 1.00 0.00 C ATOM 583 CD LYS A 123 23.478 4.712 -13.123 1.00 0.00 C ATOM 584 CE LYS A 123 24.958 5.070 -13.282 1.00 0.00 C ATOM 585 NZ LYS A 123 25.119 6.401 -13.895 1.00 0.00 N ATOM 0 H LYS A 123 22.770 0.915 -13.323 1.00 0.00 H new ATOM 0 HA LYS A 123 22.288 1.652 -10.689 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.399 2.909 -13.322 1.00 0.00 H new ATOM 0 HB3 LYS A 123 21.352 3.724 -11.772 1.00 0.00 H new ATOM 0 HG2 LYS A 123 23.840 3.313 -11.516 1.00 0.00 H new ATOM 0 HG3 LYS A 123 23.861 2.585 -13.110 1.00 0.00 H new ATOM 0 HD2 LYS A 123 22.983 4.727 -14.094 1.00 0.00 H new ATOM 0 HD3 LYS A 123 22.979 5.453 -12.499 1.00 0.00 H new ATOM 0 HE2 LYS A 123 25.446 5.054 -12.308 1.00 0.00 H new ATOM 0 HE3 LYS A 123 25.453 4.320 -13.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 26.131 6.619 -13.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 24.673 6.407 -14.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 24.667 7.118 -13.292 1.00 0.00 H new ATOM 599 N GLY A 124 19.985 1.055 -10.044 1.00 0.00 N ATOM 600 CA GLY A 124 18.645 0.708 -9.599 1.00 0.00 C ATOM 601 C GLY A 124 18.690 -0.604 -8.821 1.00 0.00 C ATOM 602 O GLY A 124 18.015 -0.749 -7.803 1.00 0.00 O ATOM 0 H GLY A 124 20.668 1.114 -9.289 1.00 0.00 H new ATOM 0 HA2 GLY A 124 18.242 1.502 -8.970 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.979 0.612 -10.457 1.00 0.00 H new ATOM 606 N ARG A 125 19.496 -1.558 -9.304 1.00 0.00 N ATOM 607 CA ARG A 125 19.642 -2.853 -8.660 1.00 0.00 C ATOM 608 C ARG A 125 20.767 -2.784 -7.636 1.00 0.00 C ATOM 609 O ARG A 125 21.918 -2.543 -7.994 1.00 0.00 O ATOM 610 CB ARG A 125 19.956 -3.918 -9.717 1.00 0.00 C ATOM 611 CG ARG A 125 18.715 -4.204 -10.567 1.00 0.00 C ATOM 612 CD ARG A 125 17.818 -5.211 -9.840 1.00 0.00 C ATOM 613 NE ARG A 125 16.506 -5.335 -10.483 1.00 0.00 N ATOM 614 CZ ARG A 125 16.342 -5.784 -11.740 1.00 0.00 C ATOM 615 NH1 ARG A 125 17.357 -6.364 -12.384 1.00 0.00 N ATOM 616 NH2 ARG A 125 15.162 -5.653 -12.353 1.00 0.00 N ATOM 0 H ARG A 125 20.059 -1.447 -10.148 1.00 0.00 H new ATOM 0 HA ARG A 125 18.714 -3.119 -8.154 1.00 0.00 H new ATOM 0 HB2 ARG A 125 20.772 -3.578 -10.355 1.00 0.00 H new ATOM 0 HB3 ARG A 125 20.292 -4.834 -9.231 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.167 -3.280 -10.752 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.010 -4.599 -11.539 1.00 0.00 H new ATOM 0 HD2 ARG A 125 18.307 -6.185 -9.820 1.00 0.00 H new ATOM 0 HD3 ARG A 125 17.687 -4.899 -8.804 1.00 0.00 H new ATOM 0 HE ARG A 125 15.678 -5.068 -9.951 1.00 0.00 H new ATOM 0 HH11 ARG A 125 18.261 -6.468 -11.923 1.00 0.00 H new ATOM 0 HH12 ARG A 125 17.229 -6.703 -13.337 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.381 -5.211 -11.868 1.00 0.00 H new ATOM 0 HH22 ARG A 125 15.042 -5.995 -13.306 1.00 0.00 H new ATOM 630 N ILE A 126 20.434 -3.001 -6.361 1.00 0.00 N ATOM 631 CA ILE A 126 21.425 -2.981 -5.299 1.00 0.00 C ATOM 632 C ILE A 126 22.278 -4.251 -5.375 1.00 0.00 C ATOM 633 O ILE A 126 21.959 -5.178 -6.123 1.00 0.00 O ATOM 634 CB ILE A 126 20.738 -2.847 -3.923 1.00 0.00 C ATOM 635 CG1 ILE A 126 19.672 -3.958 -3.729 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.122 -1.445 -3.791 1.00 0.00 C ATOM 637 CD1 ILE A 126 18.240 -3.435 -3.929 1.00 0.00 C ATOM 0 H ILE A 126 19.483 -3.192 -6.046 1.00 0.00 H new ATOM 0 HA ILE A 126 22.077 -2.117 -5.425 1.00 0.00 H new ATOM 0 HB ILE A 126 21.481 -2.974 -3.136 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.862 -4.768 -4.433 1.00 0.00 H new ATOM 0 HG13 ILE A 126 19.766 -4.378 -2.728 1.00 0.00 H new ATOM 0 HG21 ILE A 126 19.637 -1.351 -2.819 1.00 0.00 H new ATOM 0 HG22 ILE A 126 20.906 -0.693 -3.880 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.385 -1.295 -4.580 1.00 0.00 H new ATOM 0 HD11 ILE A 126 17.531 -4.250 -3.783 1.00 0.00 H new ATOM 0 HD12 ILE A 126 18.037 -2.644 -3.207 1.00 0.00 H new ATOM 0 HD13 ILE A 126 18.135 -3.040 -4.939 1.00 0.00 H new ATOM 649 N GLY A 127 23.366 -4.290 -4.600 1.00 0.00 N ATOM 650 CA GLY A 127 24.267 -5.431 -4.588 1.00 0.00 C ATOM 651 C GLY A 127 23.502 -6.724 -4.305 1.00 0.00 C ATOM 652 O GLY A 127 23.736 -7.734 -4.958 1.00 0.00 O ATOM 0 H GLY A 127 23.640 -3.535 -3.971 1.00 0.00 H new ATOM 0 HA2 GLY A 127 24.777 -5.508 -5.548 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.036 -5.285 -3.830 1.00 0.00 H new ATOM 656 N LYS A 128 22.589 -6.683 -3.326 1.00 0.00 N ATOM 657 CA LYS A 128 21.799 -7.847 -2.942 1.00 0.00 C ATOM 658 C LYS A 128 21.036 -8.410 -4.147 1.00 0.00 C ATOM 659 O LYS A 128 20.998 -9.623 -4.341 1.00 0.00 O ATOM 660 CB LYS A 128 20.827 -7.437 -1.831 1.00 0.00 C ATOM 661 CG LYS A 128 20.158 -8.681 -1.237 1.00 0.00 C ATOM 662 CD LYS A 128 19.135 -8.264 -0.172 1.00 0.00 C ATOM 663 CE LYS A 128 17.790 -7.935 -0.834 1.00 0.00 C ATOM 664 NZ LYS A 128 17.025 -9.162 -1.122 1.00 0.00 N ATOM 0 H LYS A 128 22.382 -5.844 -2.784 1.00 0.00 H new ATOM 0 HA LYS A 128 22.462 -8.632 -2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.361 -6.893 -1.051 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.070 -6.762 -2.229 1.00 0.00 H new ATOM 0 HG2 LYS A 128 19.665 -9.251 -2.025 1.00 0.00 H new ATOM 0 HG3 LYS A 128 20.911 -9.334 -0.795 1.00 0.00 H new ATOM 0 HD2 LYS A 128 19.005 -9.067 0.553 1.00 0.00 H new ATOM 0 HD3 LYS A 128 19.502 -7.396 0.376 1.00 0.00 H new ATOM 0 HE2 LYS A 128 17.208 -7.286 -0.180 1.00 0.00 H new ATOM 0 HE3 LYS A 128 17.962 -7.384 -1.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 16.265 -8.946 -1.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 17.659 -9.878 -1.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 16.611 -9.528 -0.241 1.00 0.00 H new ATOM 678 N GLN A 129 20.427 -7.526 -4.946 1.00 0.00 N ATOM 679 CA GLN A 129 19.648 -7.930 -6.111 1.00 0.00 C ATOM 680 C GLN A 129 20.520 -8.719 -7.085 1.00 0.00 C ATOM 681 O GLN A 129 20.212 -9.866 -7.414 1.00 0.00 O ATOM 682 CB GLN A 129 19.080 -6.675 -6.797 1.00 0.00 C ATOM 683 CG GLN A 129 17.603 -6.507 -6.445 1.00 0.00 C ATOM 684 CD GLN A 129 16.762 -7.550 -7.167 1.00 0.00 C ATOM 685 OE1 GLN A 129 16.733 -7.593 -8.391 1.00 0.00 O ATOM 686 NE2 GLN A 129 16.083 -8.392 -6.408 1.00 0.00 N ATOM 0 H GLN A 129 20.463 -6.517 -4.800 1.00 0.00 H new ATOM 0 HA GLN A 129 18.827 -8.572 -5.793 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.639 -5.794 -6.482 1.00 0.00 H new ATOM 0 HB3 GLN A 129 19.197 -6.757 -7.878 1.00 0.00 H new ATOM 0 HG2 GLN A 129 17.466 -6.603 -5.368 1.00 0.00 H new ATOM 0 HG3 GLN A 129 17.269 -5.507 -6.721 1.00 0.00 H new ATOM 0 HE21 GLN A 129 16.137 -8.320 -5.392 1.00 0.00 H new ATOM 0 HE22 GLN A 129 15.505 -9.114 -6.838 1.00 0.00 H new ATOM 695 N CYS A 130 21.604 -8.092 -7.546 1.00 0.00 N ATOM 696 CA CYS A 130 22.519 -8.711 -8.495 1.00 0.00 C ATOM 697 C CYS A 130 23.075 -10.014 -7.921 1.00 0.00 C ATOM 698 O CYS A 130 23.171 -11.015 -8.631 1.00 0.00 O ATOM 699 CB CYS A 130 23.654 -7.733 -8.814 1.00 0.00 C ATOM 700 SG CYS A 130 22.955 -6.247 -9.580 1.00 0.00 S ATOM 0 H CYS A 130 21.868 -7.146 -7.271 1.00 0.00 H new ATOM 0 HA CYS A 130 21.984 -8.948 -9.415 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.191 -7.470 -7.903 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.375 -8.199 -9.486 1.00 0.00 H new ATOM 0 HG CYS A 130 23.911 -5.409 -9.853 1.00 0.00 H new ATOM 706 N ARG A 131 23.441 -9.996 -6.634 1.00 0.00 N ATOM 707 CA ARG A 131 23.986 -11.166 -5.967 1.00 0.00 C ATOM 708 C ARG A 131 22.994 -12.323 -6.056 1.00 0.00 C ATOM 709 O ARG A 131 23.355 -13.400 -6.505 1.00 0.00 O ATOM 710 CB ARG A 131 24.306 -10.816 -4.505 1.00 0.00 C ATOM 711 CG ARG A 131 25.170 -11.915 -3.856 1.00 0.00 C ATOM 712 CD ARG A 131 24.296 -13.007 -3.222 1.00 0.00 C ATOM 713 NE ARG A 131 23.391 -12.449 -2.208 1.00 0.00 N ATOM 714 CZ ARG A 131 22.357 -13.135 -1.689 1.00 0.00 C ATOM 715 NH1 ARG A 131 22.141 -14.408 -2.054 1.00 0.00 N ATOM 716 NH2 ARG A 131 21.541 -12.545 -0.807 1.00 0.00 N ATOM 0 H ARG A 131 23.365 -9.173 -6.036 1.00 0.00 H new ATOM 0 HA ARG A 131 24.909 -11.477 -6.457 1.00 0.00 H new ATOM 0 HB2 ARG A 131 24.830 -9.861 -4.461 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.379 -10.697 -3.944 1.00 0.00 H new ATOM 0 HG2 ARG A 131 25.823 -12.359 -4.607 1.00 0.00 H new ATOM 0 HG3 ARG A 131 25.814 -11.473 -3.095 1.00 0.00 H new ATOM 0 HD2 ARG A 131 23.713 -13.504 -3.997 1.00 0.00 H new ATOM 0 HD3 ARG A 131 24.933 -13.765 -2.766 1.00 0.00 H new ATOM 0 HE ARG A 131 23.555 -11.496 -1.882 1.00 0.00 H new ATOM 0 HH11 ARG A 131 22.762 -14.858 -2.727 1.00 0.00 H new ATOM 0 HH12 ARG A 131 21.356 -14.926 -1.659 1.00 0.00 H new ATOM 0 HH21 ARG A 131 21.704 -11.577 -0.530 1.00 0.00 H new ATOM 0 HH22 ARG A 131 20.756 -13.063 -0.412 1.00 0.00 H new ATOM 730 N GLU A 132 21.747 -12.101 -5.625 1.00 0.00 N ATOM 731 CA GLU A 132 20.727 -13.143 -5.640 1.00 0.00 C ATOM 732 C GLU A 132 20.540 -13.693 -7.045 1.00 0.00 C ATOM 733 O GLU A 132 20.639 -14.898 -7.242 1.00 0.00 O ATOM 734 CB GLU A 132 19.406 -12.583 -5.105 1.00 0.00 C ATOM 735 CG GLU A 132 19.419 -12.621 -3.578 1.00 0.00 C ATOM 736 CD GLU A 132 18.227 -11.874 -2.993 1.00 0.00 C ATOM 737 OE1 GLU A 132 17.179 -11.839 -3.676 1.00 0.00 O ATOM 738 OE2 GLU A 132 18.382 -11.351 -1.869 1.00 0.00 O ATOM 0 H GLU A 132 21.424 -11.204 -5.261 1.00 0.00 H new ATOM 0 HA GLU A 132 21.053 -13.961 -4.997 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.265 -11.560 -5.453 1.00 0.00 H new ATOM 0 HB3 GLU A 132 18.569 -13.168 -5.487 1.00 0.00 H new ATOM 0 HG2 GLU A 132 19.404 -13.657 -3.238 1.00 0.00 H new ATOM 0 HG3 GLU A 132 20.344 -12.178 -3.209 1.00 0.00 H new ATOM 745 N ARG A 133 20.262 -12.821 -8.020 1.00 0.00 N ATOM 746 CA ARG A 133 20.028 -13.254 -9.393 1.00 0.00 C ATOM 747 C ARG A 133 21.092 -14.271 -9.825 1.00 0.00 C ATOM 748 O ARG A 133 20.786 -15.222 -10.545 1.00 0.00 O ATOM 749 CB ARG A 133 20.026 -12.028 -10.322 1.00 0.00 C ATOM 750 CG ARG A 133 19.621 -12.427 -11.751 1.00 0.00 C ATOM 751 CD ARG A 133 18.135 -12.798 -11.797 1.00 0.00 C ATOM 752 NE ARG A 133 17.713 -13.116 -13.168 1.00 0.00 N ATOM 753 CZ ARG A 133 16.515 -13.654 -13.461 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.641 -13.904 -12.485 1.00 0.00 N ATOM 755 NH2 ARG A 133 16.197 -13.937 -14.726 1.00 0.00 N ATOM 0 H ARG A 133 20.195 -11.813 -7.879 1.00 0.00 H new ATOM 0 HA ARG A 133 19.057 -13.745 -9.457 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.335 -11.277 -9.939 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.016 -11.573 -10.333 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.819 -11.603 -12.436 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.224 -13.271 -12.085 1.00 0.00 H new ATOM 0 HD2 ARG A 133 17.950 -13.654 -11.148 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.538 -11.971 -11.412 1.00 0.00 H new ATOM 0 HE ARG A 133 18.358 -12.920 -13.933 1.00 0.00 H new ATOM 0 HH11 ARG A 133 15.881 -13.687 -11.518 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.733 -14.312 -12.706 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.863 -13.746 -15.474 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.288 -14.345 -14.944 1.00 0.00 H new ATOM 769 N TRP A 134 22.338 -14.066 -9.383 1.00 0.00 N ATOM 770 CA TRP A 134 23.439 -14.939 -9.744 1.00 0.00 C ATOM 771 C TRP A 134 23.492 -16.183 -8.844 1.00 0.00 C ATOM 772 O TRP A 134 23.555 -17.303 -9.345 1.00 0.00 O ATOM 773 CB TRP A 134 24.741 -14.144 -9.651 1.00 0.00 C ATOM 774 CG TRP A 134 25.824 -14.659 -10.532 1.00 0.00 C ATOM 775 CD1 TRP A 134 26.971 -15.222 -10.124 1.00 0.00 C ATOM 776 CD2 TRP A 134 25.881 -14.669 -11.985 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.744 -15.587 -11.196 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.112 -15.275 -12.384 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.020 -14.229 -13.016 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.460 -15.444 -13.725 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.366 -14.398 -14.363 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.577 -15.011 -14.720 1.00 0.00 C ATOM 0 H TRP A 134 22.601 -13.294 -8.770 1.00 0.00 H new ATOM 0 HA TRP A 134 23.294 -15.295 -10.764 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.540 -13.104 -9.908 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.089 -14.155 -8.618 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.248 -15.368 -9.090 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.661 -16.029 -11.126 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.083 -13.756 -12.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.400 -15.904 -13.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.694 -14.053 -15.135 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.827 -15.148 -15.762 1.00 0.00 H new ATOM 793 N HIS A 135 23.477 -15.987 -7.517 1.00 0.00 N ATOM 794 CA HIS A 135 23.581 -17.086 -6.555 1.00 0.00 C ATOM 795 C HIS A 135 22.229 -17.791 -6.360 1.00 0.00 C ATOM 796 O HIS A 135 21.871 -18.150 -5.239 1.00 0.00 O ATOM 797 CB HIS A 135 24.107 -16.537 -5.223 1.00 0.00 C ATOM 798 CG HIS A 135 25.559 -16.139 -5.295 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.583 -16.960 -4.837 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.192 -15.016 -5.764 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.737 -16.298 -5.051 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.568 -15.102 -5.614 1.00 0.00 N ATOM 0 H HIS A 135 23.393 -15.066 -7.086 1.00 0.00 H new ATOM 0 HA HIS A 135 24.277 -17.830 -6.942 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.511 -15.673 -4.929 1.00 0.00 H new ATOM 0 HB3 HIS A 135 23.979 -17.291 -4.447 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.681 -14.169 -6.197 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.706 -16.698 -4.791 1.00 0.00 H new ATOM 0 HE2 HIS A 135 28.278 -14.417 -5.872 1.00 0.00 H new ATOM 810 N ASN A 136 21.496 -17.999 -7.454 1.00 0.00 N ATOM 811 CA ASN A 136 20.225 -18.715 -7.432 1.00 0.00 C ATOM 812 C ASN A 136 20.070 -19.459 -8.737 1.00 0.00 C ATOM 813 O ASN A 136 20.055 -20.688 -8.770 1.00 0.00 O ATOM 814 CB ASN A 136 19.057 -17.734 -7.269 1.00 0.00 C ATOM 815 CG ASN A 136 18.790 -17.436 -5.806 1.00 0.00 C ATOM 816 OD1 ASN A 136 18.013 -18.132 -5.160 1.00 0.00 O ATOM 817 ND2 ASN A 136 19.428 -16.399 -5.286 1.00 0.00 N ATOM 0 H ASN A 136 21.770 -17.674 -8.381 1.00 0.00 H new ATOM 0 HA ASN A 136 20.217 -19.409 -6.591 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.281 -16.807 -7.796 1.00 0.00 H new ATOM 0 HB3 ASN A 136 18.161 -18.152 -7.727 1.00 0.00 H new ATOM 0 HD21 ASN A 136 19.283 -16.149 -4.308 1.00 0.00 H new ATOM 0 HD22 ASN A 136 20.065 -15.850 -5.864 1.00 0.00 H new ATOM 824 N HIS A 137 19.943 -18.690 -9.812 1.00 0.00 N ATOM 825 CA HIS A 137 19.747 -19.238 -11.147 1.00 0.00 C ATOM 826 C HIS A 137 21.093 -19.464 -11.850 1.00 0.00 C ATOM 827 O HIS A 137 22.015 -20.034 -11.269 1.00 0.00 O ATOM 828 CB HIS A 137 18.856 -18.284 -11.949 1.00 0.00 C ATOM 829 CG HIS A 137 17.656 -17.817 -11.178 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.834 -18.673 -10.453 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.121 -16.577 -10.999 1.00 0.00 C ATOM 832 CE1 HIS A 137 15.874 -17.906 -9.897 1.00 0.00 C ATOM 833 NE2 HIS A 137 15.993 -16.610 -10.193 1.00 0.00 N ATOM 0 H HIS A 137 19.973 -17.671 -9.782 1.00 0.00 H new ATOM 0 HA HIS A 137 19.257 -20.209 -11.073 1.00 0.00 H new ATOM 0 HB2 HIS A 137 19.443 -17.419 -12.256 1.00 0.00 H new ATOM 0 HB3 HIS A 137 18.525 -18.784 -12.859 1.00 0.00 H new ATOM 0 HD2 HIS A 137 17.527 -15.675 -11.433 1.00 0.00 H new ATOM 0 HE1 HIS A 137 15.086 -18.302 -9.273 1.00 0.00 H new ATOM 0 HE2 HIS A 137 15.400 -15.834 -9.899 1.00 0.00 H new ATOM 841 N LEU A 138 21.184 -19.023 -13.114 1.00 0.00 N ATOM 842 CA LEU A 138 22.369 -19.198 -13.942 1.00 0.00 C ATOM 843 C LEU A 138 23.635 -18.682 -13.250 1.00 0.00 C ATOM 844 O LEU A 138 23.621 -17.641 -12.595 1.00 0.00 O ATOM 845 CB LEU A 138 22.151 -18.470 -15.277 1.00 0.00 C ATOM 846 CG LEU A 138 21.770 -16.994 -15.034 1.00 0.00 C ATOM 847 CD1 LEU A 138 22.713 -16.085 -15.811 1.00 0.00 C ATOM 848 CD2 LEU A 138 20.335 -16.741 -15.501 1.00 0.00 C ATOM 0 H LEU A 138 20.426 -18.531 -13.587 1.00 0.00 H new ATOM 0 HA LEU A 138 22.517 -20.264 -14.115 1.00 0.00 H new ATOM 0 HB2 LEU A 138 23.058 -18.523 -15.879 1.00 0.00 H new ATOM 0 HB3 LEU A 138 21.363 -18.966 -15.844 1.00 0.00 H new ATOM 0 HG LEU A 138 21.849 -16.781 -13.968 1.00 0.00 H new ATOM 0 HD11 LEU A 138 22.441 -15.044 -15.637 1.00 0.00 H new ATOM 0 HD12 LEU A 138 23.737 -16.253 -15.478 1.00 0.00 H new ATOM 0 HD13 LEU A 138 22.637 -16.307 -16.876 1.00 0.00 H new ATOM 0 HD21 LEU A 138 20.074 -15.697 -15.326 1.00 0.00 H new ATOM 0 HD22 LEU A 138 20.255 -16.962 -16.565 1.00 0.00 H new ATOM 0 HD23 LEU A 138 19.653 -17.384 -14.945 1.00 0.00 H new ATOM 860 N ASN A 139 24.736 -19.427 -13.420 1.00 0.00 N ATOM 861 CA ASN A 139 26.033 -19.061 -12.870 1.00 0.00 C ATOM 862 C ASN A 139 27.123 -19.898 -13.563 1.00 0.00 C ATOM 863 O ASN A 139 27.722 -20.772 -12.937 1.00 0.00 O ATOM 864 CB ASN A 139 26.024 -19.301 -11.351 1.00 0.00 C ATOM 865 CG ASN A 139 27.303 -18.784 -10.696 1.00 0.00 C ATOM 866 OD1 ASN A 139 28.256 -18.429 -11.379 1.00 0.00 O ATOM 867 ND2 ASN A 139 27.318 -18.742 -9.364 1.00 0.00 N ATOM 0 H ASN A 139 24.744 -20.301 -13.945 1.00 0.00 H new ATOM 0 HA ASN A 139 26.242 -18.006 -13.047 1.00 0.00 H new ATOM 0 HB2 ASN A 139 25.161 -18.804 -10.908 1.00 0.00 H new ATOM 0 HB3 ASN A 139 25.916 -20.367 -11.150 1.00 0.00 H new ATOM 0 HD21 ASN A 139 28.146 -18.404 -8.874 1.00 0.00 H new ATOM 0 HD22 ASN A 139 26.501 -19.048 -8.835 1.00 0.00 H new ATOM 874 N PRO A 140 27.377 -19.641 -14.868 1.00 0.00 N ATOM 875 CA PRO A 140 28.350 -20.387 -15.647 1.00 0.00 C ATOM 876 C PRO A 140 29.790 -19.918 -15.357 1.00 0.00 C ATOM 877 O PRO A 140 30.567 -19.686 -16.284 1.00 0.00 O ATOM 878 CB PRO A 140 27.953 -20.122 -17.106 1.00 0.00 C ATOM 879 CG PRO A 140 27.121 -18.836 -17.092 1.00 0.00 C ATOM 880 CD PRO A 140 26.691 -18.620 -15.640 1.00 0.00 C ATOM 0 HA PRO A 140 28.344 -21.450 -15.404 1.00 0.00 H new ATOM 0 HB2 PRO A 140 28.835 -20.009 -17.736 1.00 0.00 H new ATOM 0 HB3 PRO A 140 27.377 -20.954 -17.511 1.00 0.00 H new ATOM 0 HG2 PRO A 140 27.706 -17.990 -17.454 1.00 0.00 H new ATOM 0 HG3 PRO A 140 26.253 -18.927 -17.745 1.00 0.00 H new ATOM 0 HD2 PRO A 140 26.962 -17.622 -15.296 1.00 0.00 H new ATOM 0 HD3 PRO A 140 25.610 -18.711 -15.535 1.00 0.00 H new ATOM 888 N GLU A 141 30.154 -19.788 -14.075 1.00 0.00 N ATOM 889 CA GLU A 141 31.502 -19.376 -13.701 1.00 0.00 C ATOM 890 C GLU A 141 32.443 -20.578 -13.807 1.00 0.00 C ATOM 891 O GLU A 141 32.917 -21.099 -12.806 1.00 0.00 O ATOM 892 CB GLU A 141 31.497 -18.806 -12.279 1.00 0.00 C ATOM 893 CG GLU A 141 31.008 -17.353 -12.301 1.00 0.00 C ATOM 894 CD GLU A 141 30.918 -16.785 -10.888 1.00 0.00 C ATOM 895 OE1 GLU A 141 31.351 -17.495 -9.954 1.00 0.00 O ATOM 896 OE2 GLU A 141 30.416 -15.649 -10.768 1.00 0.00 O ATOM 0 H GLU A 141 29.532 -19.963 -13.286 1.00 0.00 H new ATOM 0 HA GLU A 141 31.853 -18.596 -14.376 1.00 0.00 H new ATOM 0 HB2 GLU A 141 30.850 -19.407 -11.639 1.00 0.00 H new ATOM 0 HB3 GLU A 141 32.500 -18.855 -11.855 1.00 0.00 H new ATOM 0 HG2 GLU A 141 31.688 -16.746 -12.898 1.00 0.00 H new ATOM 0 HG3 GLU A 141 30.030 -17.302 -12.780 1.00 0.00 H new HETATM 903 N NH2 A 142 32.711 -21.015 -15.030 1.00 0.00 N TER 906 NH2 A 142