USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 460 hydrogens (2 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 135 HIS : no HD1:sc= 0 X(o=0.8,f=0.8) USER MOD Set 1.2: A 139 ASN : amide:sc= 0.796 K(o=0.8,f=-2.8!) USER MOD Set 2.1: A 110 TYR OH : rot -143:sc= 0.632 USER MOD Set 2.2: A 121 HIS : no HE2:sc= 0.55 K(o=1.2,f=-1.3) USER MOD Single : A 92 LYS NZ :NH3+ -170:sc= 2.42 (180deg=2.24) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.492 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= -0.347 X(o=-0.35,f=-0.19) USER MOD Single : A 108 GLN : amide:sc= 1.18 K(o=1.2,f=-0.0082) USER MOD Single : A 109 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.12) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ -103:sc= -0.139 (180deg=-1.23) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ -142:sc= -0.024 (180deg=-0.593) USER MOD Single : A 129 GLN : amide:sc= -0.254 K(o=-0.25,f=-7.5!) USER MOD Single : A 130 CYS SG : rot 180:sc= 0 USER MOD Single : A 136 ASN : amide:sc= 0.684 K(o=0.68,f=-0.13) USER MOD Single : A 137 HIS : no HE2:sc= 0 X(o=0,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 90 12.133 -8.198 -6.257 1.00 0.00 N ATOM 2 CA LEU A 90 13.159 -7.514 -7.066 1.00 0.00 C ATOM 3 C LEU A 90 12.590 -6.194 -7.580 1.00 0.00 C ATOM 4 O LEU A 90 11.464 -6.164 -8.073 1.00 0.00 O ATOM 5 CB LEU A 90 13.605 -8.394 -8.252 1.00 0.00 C ATOM 6 CG LEU A 90 14.682 -9.425 -7.838 1.00 0.00 C ATOM 7 CD1 LEU A 90 15.936 -8.713 -7.319 1.00 0.00 C ATOM 8 CD2 LEU A 90 14.149 -10.378 -6.763 1.00 0.00 C ATOM 0 HA LEU A 90 14.032 -7.324 -6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 90 12.740 -8.917 -8.660 1.00 0.00 H new ATOM 0 HB3 LEU A 90 13.997 -7.759 -9.047 1.00 0.00 H new ATOM 0 HG LEU A 90 14.940 -10.008 -8.722 1.00 0.00 H new ATOM 0 HD11 LEU A 90 16.683 -9.454 -7.032 1.00 0.00 H new ATOM 0 HD12 LEU A 90 16.342 -8.073 -8.103 1.00 0.00 H new ATOM 0 HD13 LEU A 90 15.677 -8.105 -6.452 1.00 0.00 H new ATOM 0 HD21 LEU A 90 14.927 -11.092 -6.491 1.00 0.00 H new ATOM 0 HD22 LEU A 90 13.857 -9.806 -5.882 1.00 0.00 H new ATOM 0 HD23 LEU A 90 13.283 -10.915 -7.150 1.00 0.00 H new ATOM 22 N ILE A 91 13.359 -5.104 -7.458 1.00 0.00 N ATOM 23 CA ILE A 91 12.904 -3.788 -7.890 1.00 0.00 C ATOM 24 C ILE A 91 13.211 -3.592 -9.374 1.00 0.00 C ATOM 25 O ILE A 91 13.970 -4.362 -9.962 1.00 0.00 O ATOM 26 CB ILE A 91 13.575 -2.694 -7.043 1.00 0.00 C ATOM 27 CG1 ILE A 91 13.456 -3.017 -5.538 1.00 0.00 C ATOM 28 CG2 ILE A 91 12.905 -1.347 -7.340 1.00 0.00 C ATOM 29 CD1 ILE A 91 11.988 -3.195 -5.130 1.00 0.00 C ATOM 0 H ILE A 91 14.299 -5.114 -7.063 1.00 0.00 H new ATOM 0 HA ILE A 91 11.826 -3.717 -7.749 1.00 0.00 H new ATOM 0 HB ILE A 91 14.633 -2.647 -7.299 1.00 0.00 H new ATOM 0 HG12 ILE A 91 14.013 -3.926 -5.312 1.00 0.00 H new ATOM 0 HG13 ILE A 91 13.905 -2.214 -4.953 1.00 0.00 H new ATOM 0 HG21 ILE A 91 13.376 -0.567 -6.742 1.00 0.00 H new ATOM 0 HG22 ILE A 91 13.016 -1.111 -8.398 1.00 0.00 H new ATOM 0 HG23 ILE A 91 11.845 -1.405 -7.091 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.931 -3.422 -4.065 1.00 0.00 H new ATOM 0 HD12 ILE A 91 11.439 -2.276 -5.335 1.00 0.00 H new ATOM 0 HD13 ILE A 91 11.549 -4.014 -5.699 1.00 0.00 H new ATOM 41 N LYS A 92 12.605 -2.555 -9.975 1.00 0.00 N ATOM 42 CA LYS A 92 12.757 -2.263 -11.393 1.00 0.00 C ATOM 43 C LYS A 92 12.239 -3.455 -12.189 1.00 0.00 C ATOM 44 O LYS A 92 12.813 -3.847 -13.204 1.00 0.00 O ATOM 45 CB LYS A 92 14.220 -1.937 -11.719 1.00 0.00 C ATOM 46 CG LYS A 92 14.284 -1.101 -13.006 1.00 0.00 C ATOM 47 CD LYS A 92 15.719 -0.626 -13.261 1.00 0.00 C ATOM 48 CE LYS A 92 16.607 -1.812 -13.650 1.00 0.00 C ATOM 49 NZ LYS A 92 17.903 -1.350 -14.179 1.00 0.00 N ATOM 0 H LYS A 92 11.997 -1.900 -9.483 1.00 0.00 H new ATOM 0 HA LYS A 92 12.175 -1.383 -11.666 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.674 -1.389 -10.894 1.00 0.00 H new ATOM 0 HB3 LYS A 92 14.790 -2.858 -11.842 1.00 0.00 H new ATOM 0 HG2 LYS A 92 13.935 -1.694 -13.851 1.00 0.00 H new ATOM 0 HG3 LYS A 92 13.619 -0.242 -12.923 1.00 0.00 H new ATOM 0 HD2 LYS A 92 15.727 0.120 -14.056 1.00 0.00 H new ATOM 0 HD3 LYS A 92 16.115 -0.144 -12.367 1.00 0.00 H new ATOM 0 HE2 LYS A 92 16.771 -2.449 -12.781 1.00 0.00 H new ATOM 0 HE3 LYS A 92 16.100 -2.420 -14.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 18.417 -2.155 -14.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 17.742 -0.631 -14.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 18.466 -0.938 -13.408 1.00 0.00 H new ATOM 63 N GLY A 93 11.138 -4.024 -11.698 1.00 0.00 N ATOM 64 CA GLY A 93 10.499 -5.163 -12.314 1.00 0.00 C ATOM 65 C GLY A 93 11.288 -6.446 -12.031 1.00 0.00 C ATOM 66 O GLY A 93 12.389 -6.390 -11.477 1.00 0.00 O ATOM 0 H GLY A 93 10.669 -3.697 -10.854 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.482 -5.265 -11.935 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.424 -5.006 -13.390 1.00 0.00 H new ATOM 70 N PRO A 94 10.721 -7.612 -12.408 1.00 0.00 N ATOM 71 CA PRO A 94 11.340 -8.910 -12.189 1.00 0.00 C ATOM 72 C PRO A 94 12.454 -9.177 -13.209 1.00 0.00 C ATOM 73 O PRO A 94 12.476 -10.220 -13.863 1.00 0.00 O ATOM 74 CB PRO A 94 10.196 -9.908 -12.324 1.00 0.00 C ATOM 75 CG PRO A 94 9.086 -9.189 -13.101 1.00 0.00 C ATOM 76 CD PRO A 94 9.424 -7.698 -13.050 1.00 0.00 C ATOM 0 HA PRO A 94 11.825 -8.978 -11.215 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.522 -10.804 -12.852 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.841 -10.227 -11.344 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.041 -9.543 -14.131 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.111 -9.382 -12.654 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.454 -7.269 -14.051 1.00 0.00 H new ATOM 0 HD3 PRO A 94 8.671 -7.145 -12.488 1.00 0.00 H new ATOM 84 N TRP A 95 13.378 -8.224 -13.320 1.00 0.00 N ATOM 85 CA TRP A 95 14.530 -8.314 -14.220 1.00 0.00 C ATOM 86 C TRP A 95 14.098 -8.455 -15.685 1.00 0.00 C ATOM 87 O TRP A 95 12.912 -8.577 -15.989 1.00 0.00 O ATOM 88 CB TRP A 95 15.426 -9.481 -13.787 1.00 0.00 C ATOM 89 CG TRP A 95 16.300 -9.164 -12.622 1.00 0.00 C ATOM 90 CD1 TRP A 95 15.912 -9.112 -11.338 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.712 -8.819 -12.614 1.00 0.00 C ATOM 92 NE1 TRP A 95 16.958 -8.753 -10.523 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.106 -8.550 -11.264 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.705 -8.693 -13.609 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.405 -8.162 -10.927 1.00 0.00 C ATOM 96 CZ3 TRP A 95 20.014 -8.302 -13.277 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.363 -8.029 -11.941 1.00 0.00 C ATOM 0 H TRP A 95 13.349 -7.358 -12.782 1.00 0.00 H new ATOM 0 HA TRP A 95 15.098 -7.386 -14.152 1.00 0.00 H new ATOM 0 HB2 TRP A 95 14.798 -10.336 -13.537 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.051 -9.779 -14.629 1.00 0.00 H new ATOM 0 HD1 TRP A 95 14.911 -9.324 -10.992 1.00 0.00 H new ATOM 0 HE1 TRP A 95 16.896 -8.650 -9.510 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.456 -8.900 -14.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.668 -7.967 -9.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.758 -8.210 -14.054 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.368 -7.717 -11.698 1.00 0.00 H new ATOM 108 N THR A 96 15.086 -8.426 -16.594 1.00 0.00 N ATOM 109 CA THR A 96 14.847 -8.546 -18.025 1.00 0.00 C ATOM 110 C THR A 96 15.957 -9.391 -18.642 1.00 0.00 C ATOM 111 O THR A 96 17.048 -9.487 -18.082 1.00 0.00 O ATOM 112 CB THR A 96 14.814 -7.151 -18.678 1.00 0.00 C ATOM 113 OG1 THR A 96 16.126 -6.637 -18.771 1.00 0.00 O ATOM 114 CG2 THR A 96 13.954 -6.191 -17.853 1.00 0.00 C ATOM 0 H THR A 96 16.070 -8.318 -16.348 1.00 0.00 H new ATOM 0 HA THR A 96 13.884 -9.026 -18.196 1.00 0.00 H new ATOM 0 HB THR A 96 14.382 -7.246 -19.674 1.00 0.00 H new ATOM 0 HG1 THR A 96 16.101 -5.751 -19.188 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.943 -5.211 -18.330 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.936 -6.576 -17.791 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.370 -6.101 -16.849 1.00 0.00 H new ATOM 122 N LYS A 97 15.680 -9.998 -19.801 1.00 0.00 N ATOM 123 CA LYS A 97 16.663 -10.819 -20.500 1.00 0.00 C ATOM 124 C LYS A 97 17.921 -9.992 -20.788 1.00 0.00 C ATOM 125 O LYS A 97 19.035 -10.513 -20.736 1.00 0.00 O ATOM 126 CB LYS A 97 16.028 -11.379 -21.797 1.00 0.00 C ATOM 127 CG LYS A 97 16.798 -10.911 -23.044 1.00 0.00 C ATOM 128 CD LYS A 97 16.150 -11.488 -24.302 1.00 0.00 C ATOM 129 CE LYS A 97 16.851 -10.917 -25.538 1.00 0.00 C ATOM 130 NZ LYS A 97 16.236 -11.418 -26.778 1.00 0.00 N ATOM 0 H LYS A 97 14.778 -9.933 -20.273 1.00 0.00 H new ATOM 0 HA LYS A 97 16.962 -11.663 -19.878 1.00 0.00 H new ATOM 0 HB2 LYS A 97 16.020 -12.468 -21.760 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.990 -11.055 -21.865 1.00 0.00 H new ATOM 0 HG2 LYS A 97 16.801 -9.822 -23.093 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.838 -11.230 -22.981 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.224 -12.575 -24.297 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.089 -11.241 -24.325 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.800 -9.828 -25.518 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.907 -11.187 -25.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.731 -11.015 -27.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.307 -12.455 -26.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.235 -11.139 -26.806 1.00 0.00 H new ATOM 144 N GLU A 98 17.734 -8.705 -21.099 1.00 0.00 N ATOM 145 CA GLU A 98 18.836 -7.822 -21.435 1.00 0.00 C ATOM 146 C GLU A 98 19.683 -7.556 -20.192 1.00 0.00 C ATOM 147 O GLU A 98 20.903 -7.650 -20.248 1.00 0.00 O ATOM 148 CB GLU A 98 18.276 -6.513 -22.015 1.00 0.00 C ATOM 149 CG GLU A 98 18.767 -6.336 -23.454 1.00 0.00 C ATOM 150 CD GLU A 98 18.176 -7.413 -24.362 1.00 0.00 C ATOM 151 OE1 GLU A 98 16.948 -7.354 -24.587 1.00 0.00 O ATOM 152 OE2 GLU A 98 18.960 -8.276 -24.811 1.00 0.00 O ATOM 0 H GLU A 98 16.818 -8.257 -21.123 1.00 0.00 H new ATOM 0 HA GLU A 98 19.474 -8.290 -22.184 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.186 -6.530 -21.992 1.00 0.00 H new ATOM 0 HB3 GLU A 98 18.595 -5.668 -21.405 1.00 0.00 H new ATOM 0 HG2 GLU A 98 18.485 -5.349 -23.821 1.00 0.00 H new ATOM 0 HG3 GLU A 98 19.855 -6.387 -23.481 1.00 0.00 H new ATOM 159 N GLU A 99 19.030 -7.228 -19.071 1.00 0.00 N ATOM 160 CA GLU A 99 19.720 -6.962 -17.814 1.00 0.00 C ATOM 161 C GLU A 99 20.475 -8.218 -17.359 1.00 0.00 C ATOM 162 O GLU A 99 21.586 -8.120 -16.842 1.00 0.00 O ATOM 163 CB GLU A 99 18.687 -6.521 -16.772 1.00 0.00 C ATOM 164 CG GLU A 99 19.380 -5.768 -15.639 1.00 0.00 C ATOM 165 CD GLU A 99 19.583 -4.294 -15.993 1.00 0.00 C ATOM 166 OE1 GLU A 99 20.574 -3.998 -16.704 1.00 0.00 O ATOM 167 OE2 GLU A 99 18.744 -3.486 -15.541 1.00 0.00 O ATOM 0 H GLU A 99 18.015 -7.141 -19.015 1.00 0.00 H new ATOM 0 HA GLU A 99 20.452 -6.165 -17.942 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.937 -5.883 -17.239 1.00 0.00 H new ATOM 0 HB3 GLU A 99 18.164 -7.391 -16.375 1.00 0.00 H new ATOM 0 HG2 GLU A 99 18.784 -5.847 -14.730 1.00 0.00 H new ATOM 0 HG3 GLU A 99 20.345 -6.230 -15.429 1.00 0.00 H new ATOM 174 N ASP A 100 19.878 -9.398 -17.558 1.00 0.00 N ATOM 175 CA ASP A 100 20.520 -10.652 -17.189 1.00 0.00 C ATOM 176 C ASP A 100 21.770 -10.862 -18.048 1.00 0.00 C ATOM 177 O ASP A 100 22.849 -11.116 -17.515 1.00 0.00 O ATOM 178 CB ASP A 100 19.531 -11.811 -17.356 1.00 0.00 C ATOM 179 CG ASP A 100 18.748 -12.037 -16.076 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.264 -12.774 -15.211 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.643 -11.468 -15.980 1.00 0.00 O ATOM 0 H ASP A 100 18.952 -9.505 -17.972 1.00 0.00 H new ATOM 0 HA ASP A 100 20.825 -10.615 -16.143 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.845 -11.595 -18.175 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.070 -12.720 -17.624 1.00 0.00 H new ATOM 186 N GLN A 101 21.631 -10.748 -19.378 1.00 0.00 N ATOM 187 CA GLN A 101 22.762 -10.905 -20.289 1.00 0.00 C ATOM 188 C GLN A 101 23.848 -9.889 -19.930 1.00 0.00 C ATOM 189 O GLN A 101 25.034 -10.212 -19.913 1.00 0.00 O ATOM 190 CB GLN A 101 22.282 -10.713 -21.735 1.00 0.00 C ATOM 191 CG GLN A 101 23.362 -11.184 -22.725 1.00 0.00 C ATOM 192 CD GLN A 101 24.238 -10.025 -23.199 1.00 0.00 C ATOM 193 OE1 GLN A 101 23.857 -9.289 -24.104 1.00 0.00 O ATOM 194 NE2 GLN A 101 25.415 -9.868 -22.591 1.00 0.00 N ATOM 0 H GLN A 101 20.744 -10.548 -19.841 1.00 0.00 H new ATOM 0 HA GLN A 101 23.183 -11.906 -20.196 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.362 -11.274 -21.897 1.00 0.00 H new ATOM 0 HB3 GLN A 101 22.051 -9.663 -21.912 1.00 0.00 H new ATOM 0 HG2 GLN A 101 23.986 -11.941 -22.250 1.00 0.00 H new ATOM 0 HG3 GLN A 101 22.887 -11.656 -23.585 1.00 0.00 H new ATOM 0 HE21 GLN A 101 25.691 -10.504 -21.843 1.00 0.00 H new ATOM 0 HE22 GLN A 101 26.039 -9.112 -22.874 1.00 0.00 H new ATOM 203 N ARG A 102 23.427 -8.663 -19.635 1.00 0.00 N ATOM 204 CA ARG A 102 24.328 -7.596 -19.253 1.00 0.00 C ATOM 205 C ARG A 102 25.152 -8.029 -18.037 1.00 0.00 C ATOM 206 O ARG A 102 26.372 -7.877 -18.029 1.00 0.00 O ATOM 207 CB ARG A 102 23.484 -6.359 -18.948 1.00 0.00 C ATOM 208 CG ARG A 102 24.361 -5.140 -18.701 1.00 0.00 C ATOM 209 CD ARG A 102 23.471 -4.019 -18.174 1.00 0.00 C ATOM 210 NE ARG A 102 24.217 -2.776 -18.009 1.00 0.00 N ATOM 211 CZ ARG A 102 23.751 -1.744 -17.291 1.00 0.00 C ATOM 212 NH1 ARG A 102 22.544 -1.816 -16.704 1.00 0.00 N ATOM 213 NH2 ARG A 102 24.495 -0.641 -17.159 1.00 0.00 N ATOM 0 H ARG A 102 22.445 -8.387 -19.656 1.00 0.00 H new ATOM 0 HA ARG A 102 25.028 -7.365 -20.056 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.809 -6.162 -19.781 1.00 0.00 H new ATOM 0 HB3 ARG A 102 22.863 -6.547 -18.072 1.00 0.00 H new ATOM 0 HG2 ARG A 102 25.145 -5.374 -17.981 1.00 0.00 H new ATOM 0 HG3 ARG A 102 24.855 -4.833 -19.623 1.00 0.00 H new ATOM 0 HD2 ARG A 102 22.641 -3.858 -18.862 1.00 0.00 H new ATOM 0 HD3 ARG A 102 23.039 -4.315 -17.218 1.00 0.00 H new ATOM 0 HE ARG A 102 25.129 -2.689 -18.458 1.00 0.00 H new ATOM 0 HH11 ARG A 102 21.978 -2.659 -16.804 1.00 0.00 H new ATOM 0 HH12 ARG A 102 22.194 -1.028 -16.159 1.00 0.00 H new ATOM 0 HH21 ARG A 102 25.412 -0.588 -17.603 1.00 0.00 H new ATOM 0 HH22 ARG A 102 24.146 0.147 -16.614 1.00 0.00 H new ATOM 227 N VAL A 103 24.483 -8.577 -17.012 1.00 0.00 N ATOM 228 CA VAL A 103 25.163 -9.039 -15.810 1.00 0.00 C ATOM 229 C VAL A 103 26.125 -10.175 -16.161 1.00 0.00 C ATOM 230 O VAL A 103 27.237 -10.201 -15.656 1.00 0.00 O ATOM 231 CB VAL A 103 24.132 -9.474 -14.756 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.801 -10.343 -13.684 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.543 -8.232 -14.087 1.00 0.00 C ATOM 0 H VAL A 103 23.471 -8.708 -16.999 1.00 0.00 H new ATOM 0 HA VAL A 103 25.748 -8.224 -15.385 1.00 0.00 H new ATOM 0 HB VAL A 103 23.347 -10.049 -15.247 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.059 -10.644 -12.944 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.229 -11.230 -14.150 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.591 -9.773 -13.195 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.811 -8.535 -13.338 1.00 0.00 H new ATOM 0 HG22 VAL A 103 24.340 -7.665 -13.606 1.00 0.00 H new ATOM 0 HG23 VAL A 103 23.057 -7.610 -14.839 1.00 0.00 H new ATOM 243 N ILE A 104 25.707 -11.111 -17.029 1.00 0.00 N ATOM 244 CA ILE A 104 26.575 -12.215 -17.441 1.00 0.00 C ATOM 245 C ILE A 104 27.903 -11.649 -17.950 1.00 0.00 C ATOM 246 O ILE A 104 28.974 -12.090 -17.532 1.00 0.00 O ATOM 247 CB ILE A 104 25.882 -13.054 -18.538 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.770 -13.917 -17.926 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.911 -13.957 -19.234 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.969 -14.606 -19.037 1.00 0.00 C ATOM 0 H ILE A 104 24.780 -11.122 -17.454 1.00 0.00 H new ATOM 0 HA ILE A 104 26.770 -12.866 -16.589 1.00 0.00 H new ATOM 0 HB ILE A 104 25.442 -12.376 -19.270 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.203 -14.665 -17.261 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.109 -13.297 -17.321 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.415 -14.546 -20.006 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.687 -13.341 -19.689 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.362 -14.626 -18.501 1.00 0.00 H new ATOM 0 HD11 ILE A 104 23.182 -15.216 -18.593 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.522 -13.852 -19.684 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.633 -15.241 -19.624 1.00 0.00 H new ATOM 262 N GLU A 105 27.820 -10.670 -18.854 1.00 0.00 N ATOM 263 CA GLU A 105 28.994 -10.047 -19.440 1.00 0.00 C ATOM 264 C GLU A 105 29.835 -9.357 -18.360 1.00 0.00 C ATOM 265 O GLU A 105 31.044 -9.573 -18.281 1.00 0.00 O ATOM 266 CB GLU A 105 28.529 -9.043 -20.500 1.00 0.00 C ATOM 267 CG GLU A 105 29.720 -8.545 -21.319 1.00 0.00 C ATOM 268 CD GLU A 105 29.261 -7.566 -22.393 1.00 0.00 C ATOM 269 OE1 GLU A 105 28.254 -7.890 -23.064 1.00 0.00 O ATOM 270 OE2 GLU A 105 29.922 -6.514 -22.524 1.00 0.00 O ATOM 0 H GLU A 105 26.936 -10.292 -19.195 1.00 0.00 H new ATOM 0 HA GLU A 105 29.624 -10.804 -19.906 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.797 -9.512 -21.158 1.00 0.00 H new ATOM 0 HB3 GLU A 105 28.032 -8.200 -20.019 1.00 0.00 H new ATOM 0 HG2 GLU A 105 30.442 -8.060 -20.662 1.00 0.00 H new ATOM 0 HG3 GLU A 105 30.228 -9.390 -21.783 1.00 0.00 H new ATOM 277 N LEU A 106 29.196 -8.522 -17.531 1.00 0.00 N ATOM 278 CA LEU A 106 29.895 -7.785 -16.483 1.00 0.00 C ATOM 279 C LEU A 106 30.566 -8.743 -15.495 1.00 0.00 C ATOM 280 O LEU A 106 31.649 -8.452 -15.002 1.00 0.00 O ATOM 281 CB LEU A 106 28.909 -6.867 -15.753 1.00 0.00 C ATOM 282 CG LEU A 106 28.448 -5.727 -16.677 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.274 -4.999 -16.024 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.593 -4.735 -16.908 1.00 0.00 C ATOM 0 H LEU A 106 28.193 -8.343 -17.570 1.00 0.00 H new ATOM 0 HA LEU A 106 30.675 -7.179 -16.943 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.046 -7.443 -15.418 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.381 -6.453 -14.862 1.00 0.00 H new ATOM 0 HG LEU A 106 28.143 -6.145 -17.636 1.00 0.00 H new ATOM 0 HD11 LEU A 106 26.942 -4.189 -16.673 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.453 -5.699 -15.868 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.589 -4.589 -15.064 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.253 -3.933 -17.564 1.00 0.00 H new ATOM 0 HD22 LEU A 106 29.908 -4.314 -15.953 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.434 -5.251 -17.372 1.00 0.00 H new ATOM 296 N VAL A 107 29.929 -9.881 -15.204 1.00 0.00 N ATOM 297 CA VAL A 107 30.487 -10.858 -14.279 1.00 0.00 C ATOM 298 C VAL A 107 31.720 -11.499 -14.911 1.00 0.00 C ATOM 299 O VAL A 107 32.740 -11.655 -14.252 1.00 0.00 O ATOM 300 CB VAL A 107 29.425 -11.912 -13.925 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.092 -13.126 -13.270 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.414 -11.309 -12.945 1.00 0.00 C ATOM 0 H VAL A 107 29.026 -10.144 -15.599 1.00 0.00 H new ATOM 0 HA VAL A 107 30.788 -10.367 -13.354 1.00 0.00 H new ATOM 0 HB VAL A 107 28.917 -12.225 -14.837 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.333 -13.868 -13.022 1.00 0.00 H new ATOM 0 HG12 VAL A 107 30.814 -13.562 -13.961 1.00 0.00 H new ATOM 0 HG13 VAL A 107 30.604 -12.813 -12.360 1.00 0.00 H new ATOM 0 HG21 VAL A 107 27.661 -12.056 -12.694 1.00 0.00 H new ATOM 0 HG22 VAL A 107 28.930 -10.994 -12.038 1.00 0.00 H new ATOM 0 HG23 VAL A 107 27.931 -10.447 -13.405 1.00 0.00 H new ATOM 312 N GLN A 108 31.628 -11.860 -16.194 1.00 0.00 N ATOM 313 CA GLN A 108 32.751 -12.448 -16.905 1.00 0.00 C ATOM 314 C GLN A 108 33.914 -11.451 -16.935 1.00 0.00 C ATOM 315 O GLN A 108 35.075 -11.845 -16.837 1.00 0.00 O ATOM 316 CB GLN A 108 32.309 -12.822 -18.322 1.00 0.00 C ATOM 317 CG GLN A 108 33.471 -13.471 -19.079 1.00 0.00 C ATOM 318 CD GLN A 108 32.983 -14.104 -20.376 1.00 0.00 C ATOM 319 OE1 GLN A 108 33.223 -13.574 -21.458 1.00 0.00 O ATOM 320 NE2 GLN A 108 32.295 -15.238 -20.265 1.00 0.00 N ATOM 0 H GLN A 108 30.784 -11.752 -16.756 1.00 0.00 H new ATOM 0 HA GLN A 108 33.088 -13.352 -16.397 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.464 -13.509 -18.279 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.970 -11.932 -18.853 1.00 0.00 H new ATOM 0 HG2 GLN A 108 34.232 -12.722 -19.298 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.941 -14.229 -18.453 1.00 0.00 H new ATOM 0 HE21 GLN A 108 32.121 -15.641 -19.344 1.00 0.00 H new ATOM 0 HE22 GLN A 108 31.942 -15.704 -21.101 1.00 0.00 H new ATOM 329 N LYS A 109 33.593 -10.158 -17.070 1.00 0.00 N ATOM 330 CA LYS A 109 34.594 -9.106 -17.117 1.00 0.00 C ATOM 331 C LYS A 109 35.258 -8.938 -15.745 1.00 0.00 C ATOM 332 O LYS A 109 36.481 -9.009 -15.637 1.00 0.00 O ATOM 333 CB LYS A 109 33.919 -7.801 -17.557 1.00 0.00 C ATOM 334 CG LYS A 109 34.981 -6.747 -17.898 1.00 0.00 C ATOM 335 CD LYS A 109 34.810 -5.530 -16.982 1.00 0.00 C ATOM 336 CE LYS A 109 35.894 -4.488 -17.282 1.00 0.00 C ATOM 337 NZ LYS A 109 35.709 -3.891 -18.617 1.00 0.00 N ATOM 0 H LYS A 109 32.633 -9.821 -17.149 1.00 0.00 H new ATOM 0 HA LYS A 109 35.372 -9.370 -17.833 1.00 0.00 H new ATOM 0 HB2 LYS A 109 33.286 -7.985 -18.425 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.271 -7.432 -16.762 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.979 -7.169 -17.777 1.00 0.00 H new ATOM 0 HG3 LYS A 109 34.887 -6.446 -18.941 1.00 0.00 H new ATOM 0 HD2 LYS A 109 33.823 -5.091 -17.128 1.00 0.00 H new ATOM 0 HD3 LYS A 109 34.871 -5.839 -15.939 1.00 0.00 H new ATOM 0 HE2 LYS A 109 35.868 -3.705 -16.524 1.00 0.00 H new ATOM 0 HE3 LYS A 109 36.877 -4.956 -17.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 36.323 -3.057 -18.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 35.957 -4.589 -19.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 34.716 -3.605 -18.735 1.00 0.00 H new ATOM 351 N TYR A 110 34.447 -8.708 -14.702 1.00 0.00 N ATOM 352 CA TYR A 110 34.949 -8.505 -13.349 1.00 0.00 C ATOM 353 C TYR A 110 35.039 -9.845 -12.616 1.00 0.00 C ATOM 354 O TYR A 110 36.112 -10.438 -12.530 1.00 0.00 O ATOM 355 CB TYR A 110 34.012 -7.543 -12.600 1.00 0.00 C ATOM 356 CG TYR A 110 33.996 -6.138 -13.164 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.158 -5.344 -13.120 1.00 0.00 C ATOM 358 CD2 TYR A 110 32.814 -5.619 -13.722 1.00 0.00 C ATOM 359 CE1 TYR A 110 35.134 -4.036 -13.634 1.00 0.00 C ATOM 360 CE2 TYR A 110 32.793 -4.313 -14.234 1.00 0.00 C ATOM 361 CZ TYR A 110 33.949 -3.521 -14.189 1.00 0.00 C ATOM 362 OH TYR A 110 33.922 -2.250 -14.681 1.00 0.00 O ATOM 0 H TYR A 110 33.431 -8.659 -14.779 1.00 0.00 H new ATOM 0 HA TYR A 110 35.948 -8.070 -13.391 1.00 0.00 H new ATOM 0 HB2 TYR A 110 32.999 -7.945 -12.625 1.00 0.00 H new ATOM 0 HB3 TYR A 110 34.313 -7.500 -11.553 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.067 -5.740 -12.692 1.00 0.00 H new ATOM 0 HD2 TYR A 110 31.922 -6.226 -13.756 1.00 0.00 H new ATOM 0 HE1 TYR A 110 36.025 -3.427 -13.603 1.00 0.00 H new ATOM 0 HE2 TYR A 110 31.885 -3.917 -14.664 1.00 0.00 H new ATOM 0 HH TYR A 110 33.051 -1.843 -14.489 1.00 0.00 H new ATOM 372 N GLY A 111 33.904 -10.310 -12.084 1.00 0.00 N ATOM 373 CA GLY A 111 33.832 -11.559 -11.349 1.00 0.00 C ATOM 374 C GLY A 111 32.590 -11.540 -10.456 1.00 0.00 C ATOM 375 O GLY A 111 32.098 -10.460 -10.124 1.00 0.00 O ATOM 0 H GLY A 111 33.011 -9.823 -12.156 1.00 0.00 H new ATOM 0 HA2 GLY A 111 33.786 -12.401 -12.040 1.00 0.00 H new ATOM 0 HA3 GLY A 111 34.729 -11.692 -10.744 1.00 0.00 H new ATOM 379 N PRO A 112 32.072 -12.723 -10.059 1.00 0.00 N ATOM 380 CA PRO A 112 30.897 -12.824 -9.206 1.00 0.00 C ATOM 381 C PRO A 112 31.250 -12.486 -7.743 1.00 0.00 C ATOM 382 O PRO A 112 30.865 -13.209 -6.823 1.00 0.00 O ATOM 383 CB PRO A 112 30.431 -14.279 -9.360 1.00 0.00 C ATOM 384 CG PRO A 112 31.633 -15.056 -9.909 1.00 0.00 C ATOM 385 CD PRO A 112 32.614 -14.011 -10.448 1.00 0.00 C ATOM 0 HA PRO A 112 30.114 -12.120 -9.486 1.00 0.00 H new ATOM 0 HB2 PRO A 112 30.107 -14.688 -8.403 1.00 0.00 H new ATOM 0 HB3 PRO A 112 29.581 -14.346 -10.039 1.00 0.00 H new ATOM 0 HG2 PRO A 112 32.097 -15.657 -9.127 1.00 0.00 H new ATOM 0 HG3 PRO A 112 31.324 -15.742 -10.698 1.00 0.00 H new ATOM 0 HD2 PRO A 112 33.610 -14.158 -10.031 1.00 0.00 H new ATOM 0 HD3 PRO A 112 32.708 -14.085 -11.531 1.00 0.00 H new ATOM 393 N LYS A 113 31.987 -11.384 -7.534 1.00 0.00 N ATOM 394 CA LYS A 113 32.405 -10.955 -6.202 1.00 0.00 C ATOM 395 C LYS A 113 32.259 -9.451 -6.074 1.00 0.00 C ATOM 396 O LYS A 113 31.820 -8.942 -5.044 1.00 0.00 O ATOM 397 CB LYS A 113 33.868 -11.366 -5.954 1.00 0.00 C ATOM 398 CG LYS A 113 34.023 -12.895 -5.950 1.00 0.00 C ATOM 399 CD LYS A 113 33.399 -13.489 -4.682 1.00 0.00 C ATOM 400 CE LYS A 113 33.683 -14.992 -4.628 1.00 0.00 C ATOM 401 NZ LYS A 113 33.090 -15.600 -3.424 1.00 0.00 N ATOM 0 H LYS A 113 32.306 -10.771 -8.284 1.00 0.00 H new ATOM 0 HA LYS A 113 31.771 -11.436 -5.458 1.00 0.00 H new ATOM 0 HB2 LYS A 113 34.505 -10.935 -6.726 1.00 0.00 H new ATOM 0 HB3 LYS A 113 34.205 -10.961 -5.000 1.00 0.00 H new ATOM 0 HG2 LYS A 113 33.543 -13.318 -6.832 1.00 0.00 H new ATOM 0 HG3 LYS A 113 35.079 -13.161 -6.003 1.00 0.00 H new ATOM 0 HD2 LYS A 113 33.809 -12.999 -3.799 1.00 0.00 H new ATOM 0 HD3 LYS A 113 32.324 -13.311 -4.676 1.00 0.00 H new ATOM 0 HE2 LYS A 113 33.280 -15.474 -5.519 1.00 0.00 H new ATOM 0 HE3 LYS A 113 34.760 -15.162 -4.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 33.297 -16.619 -3.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 33.494 -15.154 -2.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 32.060 -15.456 -3.434 1.00 0.00 H new ATOM 415 N ARG A 114 32.634 -8.756 -7.129 1.00 0.00 N ATOM 416 CA ARG A 114 32.586 -7.300 -7.177 1.00 0.00 C ATOM 417 C ARG A 114 31.163 -6.839 -7.497 1.00 0.00 C ATOM 418 O ARG A 114 30.935 -6.142 -8.487 1.00 0.00 O ATOM 419 CB ARG A 114 33.579 -6.795 -8.232 1.00 0.00 C ATOM 420 CG ARG A 114 34.989 -7.298 -7.903 1.00 0.00 C ATOM 421 CD ARG A 114 36.010 -6.595 -8.802 1.00 0.00 C ATOM 422 NE ARG A 114 37.351 -7.174 -8.634 1.00 0.00 N ATOM 423 CZ ARG A 114 38.159 -6.887 -7.594 1.00 0.00 C ATOM 424 NH1 ARG A 114 37.756 -6.042 -6.634 1.00 0.00 N ATOM 425 NH2 ARG A 114 39.372 -7.450 -7.520 1.00 0.00 N ATOM 0 H ARG A 114 32.984 -9.185 -7.986 1.00 0.00 H new ATOM 0 HA ARG A 114 32.867 -6.887 -6.208 1.00 0.00 H new ATOM 0 HB2 ARG A 114 33.281 -7.143 -9.221 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.570 -5.705 -8.261 1.00 0.00 H new ATOM 0 HG2 ARG A 114 35.219 -7.105 -6.855 1.00 0.00 H new ATOM 0 HG3 ARG A 114 35.044 -8.377 -8.048 1.00 0.00 H new ATOM 0 HD2 ARG A 114 35.702 -6.681 -9.844 1.00 0.00 H new ATOM 0 HD3 ARG A 114 36.037 -5.532 -8.564 1.00 0.00 H new ATOM 0 HE ARG A 114 37.688 -7.827 -9.342 1.00 0.00 H new ATOM 0 HH11 ARG A 114 36.833 -5.612 -6.688 1.00 0.00 H new ATOM 0 HH12 ARG A 114 38.373 -5.829 -5.850 1.00 0.00 H new ATOM 0 HH21 ARG A 114 39.681 -8.093 -8.249 1.00 0.00 H new ATOM 0 HH22 ARG A 114 39.987 -7.236 -6.735 1.00 0.00 H new ATOM 439 N TRP A 115 30.207 -7.232 -6.649 1.00 0.00 N ATOM 440 CA TRP A 115 28.810 -6.879 -6.837 1.00 0.00 C ATOM 441 C TRP A 115 28.609 -5.376 -6.671 1.00 0.00 C ATOM 442 O TRP A 115 27.639 -4.830 -7.180 1.00 0.00 O ATOM 443 CB TRP A 115 27.956 -7.685 -5.860 1.00 0.00 C ATOM 444 CG TRP A 115 28.024 -9.158 -6.112 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.505 -10.083 -5.265 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.636 -9.894 -7.309 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.465 -11.335 -5.831 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.936 -11.278 -7.108 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.066 -9.536 -8.553 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.695 -12.244 -8.088 1.00 0.00 C ATOM 451 CZ3 TRP A 115 26.818 -10.511 -9.540 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.143 -11.853 -9.313 1.00 0.00 C ATOM 0 H TRP A 115 30.385 -7.800 -5.821 1.00 0.00 H new ATOM 0 HA TRP A 115 28.497 -7.127 -7.851 1.00 0.00 H new ATOM 0 HB2 TRP A 115 28.285 -7.479 -4.841 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.919 -7.356 -5.933 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.874 -9.871 -4.272 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.782 -12.189 -5.372 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.818 -8.503 -8.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 27.932 -13.281 -7.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.373 -10.220 -10.480 1.00 0.00 H new ATOM 0 HH2 TRP A 115 26.968 -12.588 -10.084 1.00 0.00 H new ATOM 463 N SER A 116 29.533 -4.703 -5.975 1.00 0.00 N ATOM 464 CA SER A 116 29.469 -3.260 -5.813 1.00 0.00 C ATOM 465 C SER A 116 29.734 -2.597 -7.167 1.00 0.00 C ATOM 466 O SER A 116 29.019 -1.679 -7.567 1.00 0.00 O ATOM 467 CB SER A 116 30.501 -2.817 -4.773 1.00 0.00 C ATOM 468 OG SER A 116 30.443 -1.416 -4.616 1.00 0.00 O ATOM 0 H SER A 116 30.332 -5.142 -5.517 1.00 0.00 H new ATOM 0 HA SER A 116 28.481 -2.961 -5.462 1.00 0.00 H new ATOM 0 HB2 SER A 116 30.306 -3.308 -3.820 1.00 0.00 H new ATOM 0 HB3 SER A 116 31.501 -3.117 -5.087 1.00 0.00 H new ATOM 0 HG SER A 116 31.103 -1.134 -3.949 1.00 0.00 H new ATOM 474 N VAL A 117 30.767 -3.075 -7.876 1.00 0.00 N ATOM 475 CA VAL A 117 31.123 -2.545 -9.182 1.00 0.00 C ATOM 476 C VAL A 117 30.000 -2.844 -10.173 1.00 0.00 C ATOM 477 O VAL A 117 29.575 -1.959 -10.914 1.00 0.00 O ATOM 478 CB VAL A 117 32.450 -3.165 -9.646 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.817 -2.626 -11.031 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.562 -2.808 -8.654 1.00 0.00 C ATOM 0 H VAL A 117 31.369 -3.834 -7.556 1.00 0.00 H new ATOM 0 HA VAL A 117 31.254 -1.464 -9.123 1.00 0.00 H new ATOM 0 HB VAL A 117 32.339 -4.248 -9.695 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.759 -3.068 -11.356 1.00 0.00 H new ATOM 0 HG12 VAL A 117 32.031 -2.883 -11.741 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.923 -1.542 -10.983 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.502 -3.249 -8.986 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.669 -1.725 -8.601 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.308 -3.196 -7.668 1.00 0.00 H new ATOM 490 N ILE A 118 29.519 -4.092 -10.179 1.00 0.00 N ATOM 491 CA ILE A 118 28.440 -4.499 -11.065 1.00 0.00 C ATOM 492 C ILE A 118 27.198 -3.643 -10.783 1.00 0.00 C ATOM 493 O ILE A 118 26.560 -3.160 -11.713 1.00 0.00 O ATOM 494 CB ILE A 118 28.157 -6.001 -10.861 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.329 -6.823 -11.429 1.00 0.00 C ATOM 496 CG2 ILE A 118 26.861 -6.398 -11.583 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.383 -8.202 -10.769 1.00 0.00 C ATOM 0 H ILE A 118 29.867 -4.836 -9.574 1.00 0.00 H new ATOM 0 HA ILE A 118 28.722 -4.345 -12.107 1.00 0.00 H new ATOM 0 HB ILE A 118 28.047 -6.201 -9.795 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.215 -6.933 -12.507 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.267 -6.295 -11.260 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.671 -7.461 -11.432 1.00 0.00 H new ATOM 0 HG22 ILE A 118 26.029 -5.820 -11.181 1.00 0.00 H new ATOM 0 HG23 ILE A 118 26.962 -6.195 -12.649 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.217 -8.770 -11.181 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.520 -8.086 -9.694 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.451 -8.734 -10.961 1.00 0.00 H new ATOM 509 N ALA A 119 26.862 -3.455 -9.498 1.00 0.00 N ATOM 510 CA ALA A 119 25.698 -2.669 -9.098 1.00 0.00 C ATOM 511 C ALA A 119 25.797 -1.237 -9.630 1.00 0.00 C ATOM 512 O ALA A 119 24.803 -0.687 -10.100 1.00 0.00 O ATOM 513 CB ALA A 119 25.583 -2.665 -7.574 1.00 0.00 C ATOM 0 H ALA A 119 27.389 -3.843 -8.716 1.00 0.00 H new ATOM 0 HA ALA A 119 24.804 -3.123 -9.525 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.714 -2.078 -7.276 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.470 -3.688 -7.215 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.482 -2.226 -7.142 1.00 0.00 H new ATOM 519 N LYS A 120 26.992 -0.631 -9.555 1.00 0.00 N ATOM 520 CA LYS A 120 27.195 0.738 -10.028 1.00 0.00 C ATOM 521 C LYS A 120 26.811 0.862 -11.507 1.00 0.00 C ATOM 522 O LYS A 120 26.440 1.947 -11.955 1.00 0.00 O ATOM 523 CB LYS A 120 28.654 1.155 -9.806 1.00 0.00 C ATOM 524 CG LYS A 120 28.833 1.666 -8.370 1.00 0.00 C ATOM 525 CD LYS A 120 30.171 2.409 -8.226 1.00 0.00 C ATOM 526 CE LYS A 120 31.348 1.429 -8.330 1.00 0.00 C ATOM 527 NZ LYS A 120 31.801 1.274 -9.727 1.00 0.00 N ATOM 0 H LYS A 120 27.828 -1.071 -9.171 1.00 0.00 H new ATOM 0 HA LYS A 120 26.550 1.407 -9.458 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.316 0.308 -9.986 1.00 0.00 H new ATOM 0 HB3 LYS A 120 28.932 1.933 -10.517 1.00 0.00 H new ATOM 0 HG2 LYS A 120 28.010 2.332 -8.110 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.798 0.829 -7.673 1.00 0.00 H new ATOM 0 HD2 LYS A 120 30.255 3.170 -9.001 1.00 0.00 H new ATOM 0 HD3 LYS A 120 30.205 2.926 -7.267 1.00 0.00 H new ATOM 0 HE2 LYS A 120 32.175 1.785 -7.716 1.00 0.00 H new ATOM 0 HE3 LYS A 120 31.051 0.458 -7.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 31.450 0.372 -10.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 31.432 2.059 -10.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 32.841 1.281 -9.758 1.00 0.00 H new ATOM 541 N HIS A 121 26.892 -0.241 -12.264 1.00 0.00 N ATOM 542 CA HIS A 121 26.523 -0.239 -13.670 1.00 0.00 C ATOM 543 C HIS A 121 25.040 -0.573 -13.778 1.00 0.00 C ATOM 544 O HIS A 121 24.315 0.022 -14.578 1.00 0.00 O ATOM 545 CB HIS A 121 27.376 -1.264 -14.424 1.00 0.00 C ATOM 546 CG HIS A 121 28.852 -1.078 -14.183 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.439 0.173 -14.030 1.00 0.00 N ATOM 548 CD2 HIS A 121 29.888 -1.969 -14.060 1.00 0.00 C ATOM 549 CE1 HIS A 121 30.755 -0.035 -13.830 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.098 -1.325 -13.838 1.00 0.00 N ATOM 0 H HIS A 121 27.212 -1.145 -11.916 1.00 0.00 H new ATOM 0 HA HIS A 121 26.702 0.740 -14.115 1.00 0.00 H new ATOM 0 HB2 HIS A 121 27.085 -2.269 -14.118 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.173 -1.185 -15.492 1.00 0.00 H new ATOM 0 HD1 HIS A 121 28.964 1.075 -14.063 1.00 0.00 H new ATOM 0 HD2 HIS A 121 29.776 -3.041 -14.128 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.464 0.765 -13.678 1.00 0.00 H new ATOM 558 N LEU A 122 24.598 -1.526 -12.955 1.00 0.00 N ATOM 559 CA LEU A 122 23.215 -1.955 -12.913 1.00 0.00 C ATOM 560 C LEU A 122 22.402 -0.942 -12.100 1.00 0.00 C ATOM 561 O LEU A 122 21.907 -1.253 -11.016 1.00 0.00 O ATOM 562 CB LEU A 122 23.154 -3.360 -12.277 1.00 0.00 C ATOM 563 CG LEU A 122 23.280 -4.474 -13.332 1.00 0.00 C ATOM 564 CD1 LEU A 122 21.961 -4.624 -14.062 1.00 0.00 C ATOM 565 CD2 LEU A 122 24.382 -4.177 -14.353 1.00 0.00 C ATOM 0 H LEU A 122 25.201 -2.020 -12.297 1.00 0.00 H new ATOM 0 HA LEU A 122 22.793 -2.007 -13.916 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.955 -3.462 -11.544 1.00 0.00 H new ATOM 0 HB3 LEU A 122 22.213 -3.474 -11.739 1.00 0.00 H new ATOM 0 HG LEU A 122 23.542 -5.395 -12.811 1.00 0.00 H new ATOM 0 HD11 LEU A 122 22.047 -5.412 -14.810 1.00 0.00 H new ATOM 0 HD12 LEU A 122 21.178 -4.884 -13.349 1.00 0.00 H new ATOM 0 HD13 LEU A 122 21.708 -3.684 -14.553 1.00 0.00 H new ATOM 0 HD21 LEU A 122 24.435 -4.989 -15.078 1.00 0.00 H new ATOM 0 HD22 LEU A 122 24.157 -3.244 -14.870 1.00 0.00 H new ATOM 0 HD23 LEU A 122 25.339 -4.086 -13.839 1.00 0.00 H new ATOM 577 N LYS A 123 22.266 0.278 -12.636 1.00 0.00 N ATOM 578 CA LYS A 123 21.519 1.337 -11.977 1.00 0.00 C ATOM 579 C LYS A 123 20.103 0.850 -11.671 1.00 0.00 C ATOM 580 O LYS A 123 19.493 0.151 -12.483 1.00 0.00 O ATOM 581 CB LYS A 123 21.490 2.577 -12.874 1.00 0.00 C ATOM 582 CG LYS A 123 22.904 3.152 -13.005 1.00 0.00 C ATOM 583 CD LYS A 123 22.864 4.438 -13.835 1.00 0.00 C ATOM 584 CE LYS A 123 24.279 5.008 -13.965 1.00 0.00 C ATOM 585 NZ LYS A 123 24.277 6.263 -14.738 1.00 0.00 N ATOM 0 H LYS A 123 22.670 0.549 -13.532 1.00 0.00 H new ATOM 0 HA LYS A 123 22.003 1.602 -11.037 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.100 2.317 -13.858 1.00 0.00 H new ATOM 0 HB3 LYS A 123 20.820 3.327 -12.453 1.00 0.00 H new ATOM 0 HG2 LYS A 123 23.316 3.358 -12.017 1.00 0.00 H new ATOM 0 HG3 LYS A 123 23.561 2.423 -13.479 1.00 0.00 H new ATOM 0 HD2 LYS A 123 22.451 4.233 -14.823 1.00 0.00 H new ATOM 0 HD3 LYS A 123 22.209 5.169 -13.361 1.00 0.00 H new ATOM 0 HE2 LYS A 123 24.694 5.189 -12.973 1.00 0.00 H new ATOM 0 HE3 LYS A 123 24.925 4.278 -14.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 25.248 6.627 -14.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 23.902 6.083 -15.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 23.679 6.965 -14.258 1.00 0.00 H new ATOM 599 N GLY A 124 19.590 1.212 -10.490 1.00 0.00 N ATOM 600 CA GLY A 124 18.272 0.785 -10.049 1.00 0.00 C ATOM 601 C GLY A 124 18.413 -0.395 -9.093 1.00 0.00 C ATOM 602 O GLY A 124 17.670 -0.500 -8.119 1.00 0.00 O ATOM 0 H GLY A 124 20.080 1.806 -9.821 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.758 1.609 -9.554 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.664 0.500 -10.908 1.00 0.00 H new ATOM 606 N ARG A 125 19.380 -1.280 -9.374 1.00 0.00 N ATOM 607 CA ARG A 125 19.656 -2.429 -8.527 1.00 0.00 C ATOM 608 C ARG A 125 20.749 -2.044 -7.527 1.00 0.00 C ATOM 609 O ARG A 125 21.282 -0.936 -7.591 1.00 0.00 O ATOM 610 CB ARG A 125 20.102 -3.616 -9.396 1.00 0.00 C ATOM 611 CG ARG A 125 19.004 -3.994 -10.405 1.00 0.00 C ATOM 612 CD ARG A 125 17.992 -4.941 -9.746 1.00 0.00 C ATOM 613 NE ARG A 125 16.682 -4.907 -10.421 1.00 0.00 N ATOM 614 CZ ARG A 125 16.466 -5.370 -11.667 1.00 0.00 C ATOM 615 NH1 ARG A 125 17.482 -5.810 -12.416 1.00 0.00 N ATOM 616 NH2 ARG A 125 15.224 -5.387 -12.159 1.00 0.00 N ATOM 0 H ARG A 125 19.985 -1.213 -10.192 1.00 0.00 H new ATOM 0 HA ARG A 125 18.760 -2.726 -7.983 1.00 0.00 H new ATOM 0 HB2 ARG A 125 21.019 -3.360 -9.927 1.00 0.00 H new ATOM 0 HB3 ARG A 125 20.330 -4.472 -8.761 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.498 -3.096 -10.758 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.449 -4.473 -11.277 1.00 0.00 H new ATOM 0 HD2 ARG A 125 18.383 -5.958 -9.764 1.00 0.00 H new ATOM 0 HD3 ARG A 125 17.867 -4.666 -8.699 1.00 0.00 H new ATOM 0 HE ARG A 125 15.892 -4.509 -9.914 1.00 0.00 H new ATOM 0 HH11 ARG A 125 18.432 -5.797 -12.045 1.00 0.00 H new ATOM 0 HH12 ARG A 125 17.307 -6.159 -13.358 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.446 -5.051 -11.592 1.00 0.00 H new ATOM 0 HH22 ARG A 125 15.054 -5.736 -13.102 1.00 0.00 H new ATOM 630 N ILE A 126 21.083 -2.956 -6.606 1.00 0.00 N ATOM 631 CA ILE A 126 22.113 -2.704 -5.601 1.00 0.00 C ATOM 632 C ILE A 126 23.018 -3.929 -5.480 1.00 0.00 C ATOM 633 O ILE A 126 22.813 -4.926 -6.178 1.00 0.00 O ATOM 634 CB ILE A 126 21.456 -2.368 -4.246 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.701 -3.595 -3.707 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.488 -1.190 -4.420 1.00 0.00 C ATOM 637 CD1 ILE A 126 20.029 -3.259 -2.374 1.00 0.00 C ATOM 0 H ILE A 126 20.651 -3.877 -6.539 1.00 0.00 H new ATOM 0 HA ILE A 126 22.720 -1.851 -5.905 1.00 0.00 H new ATOM 0 HB ILE A 126 22.231 -2.092 -3.531 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.951 -3.916 -4.430 1.00 0.00 H new ATOM 0 HG13 ILE A 126 21.392 -4.427 -3.574 1.00 0.00 H new ATOM 0 HG21 ILE A 126 20.025 -0.955 -3.462 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.035 -0.320 -4.782 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.715 -1.458 -5.140 1.00 0.00 H new ATOM 0 HD11 ILE A 126 19.498 -4.136 -2.003 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.787 -2.960 -1.650 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.323 -2.441 -2.518 1.00 0.00 H new ATOM 649 N GLY A 127 24.017 -3.853 -4.586 1.00 0.00 N ATOM 650 CA GLY A 127 24.946 -4.951 -4.356 1.00 0.00 C ATOM 651 C GLY A 127 24.277 -6.034 -3.511 1.00 0.00 C ATOM 652 O GLY A 127 24.734 -6.343 -2.413 1.00 0.00 O ATOM 0 H GLY A 127 24.196 -3.031 -4.010 1.00 0.00 H new ATOM 0 HA2 GLY A 127 25.270 -5.370 -5.309 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.839 -4.583 -3.850 1.00 0.00 H new ATOM 656 N LYS A 128 23.190 -6.604 -4.037 1.00 0.00 N ATOM 657 CA LYS A 128 22.439 -7.649 -3.364 1.00 0.00 C ATOM 658 C LYS A 128 21.517 -8.312 -4.381 1.00 0.00 C ATOM 659 O LYS A 128 21.484 -9.532 -4.480 1.00 0.00 O ATOM 660 CB LYS A 128 21.639 -7.051 -2.199 1.00 0.00 C ATOM 661 CG LYS A 128 21.015 -8.178 -1.367 1.00 0.00 C ATOM 662 CD LYS A 128 20.168 -7.593 -0.227 1.00 0.00 C ATOM 663 CE LYS A 128 21.066 -6.901 0.811 1.00 0.00 C ATOM 664 NZ LYS A 128 21.108 -5.441 0.601 1.00 0.00 N ATOM 0 H LYS A 128 22.810 -6.347 -4.948 1.00 0.00 H new ATOM 0 HA LYS A 128 23.115 -8.398 -2.952 1.00 0.00 H new ATOM 0 HB2 LYS A 128 22.291 -6.442 -1.573 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.858 -6.393 -2.581 1.00 0.00 H new ATOM 0 HG2 LYS A 128 20.394 -8.808 -2.004 1.00 0.00 H new ATOM 0 HG3 LYS A 128 21.800 -8.814 -0.957 1.00 0.00 H new ATOM 0 HD2 LYS A 128 19.450 -6.878 -0.629 1.00 0.00 H new ATOM 0 HD3 LYS A 128 19.594 -8.386 0.251 1.00 0.00 H new ATOM 0 HE2 LYS A 128 20.697 -7.115 1.814 1.00 0.00 H new ATOM 0 HE3 LYS A 128 22.075 -7.308 0.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 22.069 -5.091 0.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 20.846 -5.224 -0.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 20.438 -4.978 1.248 1.00 0.00 H new ATOM 678 N GLN A 129 20.775 -7.495 -5.145 1.00 0.00 N ATOM 679 CA GLN A 129 19.879 -8.000 -6.176 1.00 0.00 C ATOM 680 C GLN A 129 20.700 -8.655 -7.283 1.00 0.00 C ATOM 681 O GLN A 129 20.319 -9.700 -7.804 1.00 0.00 O ATOM 682 CB GLN A 129 19.033 -6.851 -6.734 1.00 0.00 C ATOM 683 CG GLN A 129 18.094 -6.329 -5.645 1.00 0.00 C ATOM 684 CD GLN A 129 17.160 -5.252 -6.191 1.00 0.00 C ATOM 685 OE1 GLN A 129 16.107 -5.560 -6.741 1.00 0.00 O ATOM 686 NE2 GLN A 129 17.546 -3.986 -6.038 1.00 0.00 N ATOM 0 H GLN A 129 20.784 -6.479 -5.061 1.00 0.00 H new ATOM 0 HA GLN A 129 19.208 -8.745 -5.750 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.680 -6.048 -7.086 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.455 -7.195 -7.592 1.00 0.00 H new ATOM 0 HG2 GLN A 129 17.506 -7.154 -5.242 1.00 0.00 H new ATOM 0 HG3 GLN A 129 18.680 -5.922 -4.820 1.00 0.00 H new ATOM 0 HE21 GLN A 129 18.430 -3.775 -5.574 1.00 0.00 H new ATOM 0 HE22 GLN A 129 16.958 -3.228 -6.384 1.00 0.00 H new ATOM 695 N CYS A 130 21.835 -8.038 -7.636 1.00 0.00 N ATOM 696 CA CYS A 130 22.724 -8.579 -8.655 1.00 0.00 C ATOM 697 C CYS A 130 23.232 -9.947 -8.203 1.00 0.00 C ATOM 698 O CYS A 130 23.129 -10.926 -8.942 1.00 0.00 O ATOM 699 CB CYS A 130 23.893 -7.614 -8.883 1.00 0.00 C ATOM 700 SG CYS A 130 23.262 -6.070 -9.593 1.00 0.00 S ATOM 0 H CYS A 130 22.154 -7.161 -7.225 1.00 0.00 H new ATOM 0 HA CYS A 130 22.186 -8.696 -9.595 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.403 -7.413 -7.941 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.626 -8.064 -9.553 1.00 0.00 H new ATOM 0 HG CYS A 130 24.249 -5.246 -9.787 1.00 0.00 H new ATOM 706 N ARG A 131 23.775 -10.010 -6.978 1.00 0.00 N ATOM 707 CA ARG A 131 24.277 -11.251 -6.413 1.00 0.00 C ATOM 708 C ARG A 131 23.160 -12.295 -6.374 1.00 0.00 C ATOM 709 O ARG A 131 23.373 -13.439 -6.752 1.00 0.00 O ATOM 710 CB ARG A 131 24.821 -10.972 -5.002 1.00 0.00 C ATOM 711 CG ARG A 131 25.559 -12.205 -4.461 1.00 0.00 C ATOM 712 CD ARG A 131 24.625 -13.029 -3.568 1.00 0.00 C ATOM 713 NE ARG A 131 25.252 -14.302 -3.193 1.00 0.00 N ATOM 714 CZ ARG A 131 24.603 -15.269 -2.522 1.00 0.00 C ATOM 715 NH1 ARG A 131 23.325 -15.093 -2.156 1.00 0.00 N ATOM 716 NH2 ARG A 131 25.234 -16.410 -2.219 1.00 0.00 N ATOM 0 H ARG A 131 23.874 -9.203 -6.362 1.00 0.00 H new ATOM 0 HA ARG A 131 25.083 -11.645 -7.032 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.497 -10.118 -5.028 1.00 0.00 H new ATOM 0 HB3 ARG A 131 24.001 -10.709 -4.334 1.00 0.00 H new ATOM 0 HG2 ARG A 131 25.916 -12.817 -5.289 1.00 0.00 H new ATOM 0 HG3 ARG A 131 26.436 -11.893 -3.894 1.00 0.00 H new ATOM 0 HD2 ARG A 131 24.378 -12.462 -2.671 1.00 0.00 H new ATOM 0 HD3 ARG A 131 23.688 -13.220 -4.092 1.00 0.00 H new ATOM 0 HE ARG A 131 26.225 -14.460 -3.454 1.00 0.00 H new ATOM 0 HH11 ARG A 131 22.843 -14.224 -2.387 1.00 0.00 H new ATOM 0 HH12 ARG A 131 22.834 -15.828 -1.647 1.00 0.00 H new ATOM 0 HH21 ARG A 131 26.206 -16.545 -2.497 1.00 0.00 H new ATOM 0 HH22 ARG A 131 24.743 -17.145 -1.710 1.00 0.00 H new ATOM 730 N GLU A 132 21.971 -11.893 -5.911 1.00 0.00 N ATOM 731 CA GLU A 132 20.826 -12.786 -5.811 1.00 0.00 C ATOM 732 C GLU A 132 20.517 -13.395 -7.173 1.00 0.00 C ATOM 733 O GLU A 132 20.550 -14.612 -7.320 1.00 0.00 O ATOM 734 CB GLU A 132 19.626 -11.996 -5.270 1.00 0.00 C ATOM 735 CG GLU A 132 18.417 -12.918 -5.095 1.00 0.00 C ATOM 736 CD GLU A 132 17.225 -12.146 -4.539 1.00 0.00 C ATOM 737 OE1 GLU A 132 17.005 -11.012 -5.021 1.00 0.00 O ATOM 738 OE2 GLU A 132 16.556 -12.703 -3.644 1.00 0.00 O ATOM 0 H GLU A 132 21.782 -10.941 -5.598 1.00 0.00 H new ATOM 0 HA GLU A 132 21.048 -13.604 -5.126 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.884 -11.539 -4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 132 19.377 -11.185 -5.955 1.00 0.00 H new ATOM 0 HG2 GLU A 132 18.152 -13.364 -6.054 1.00 0.00 H new ATOM 0 HG3 GLU A 132 18.672 -13.737 -4.422 1.00 0.00 H new ATOM 745 N ARG A 133 20.221 -12.547 -8.167 1.00 0.00 N ATOM 746 CA ARG A 133 19.903 -13.001 -9.517 1.00 0.00 C ATOM 747 C ARG A 133 20.889 -14.083 -9.953 1.00 0.00 C ATOM 748 O ARG A 133 20.491 -15.100 -10.526 1.00 0.00 O ATOM 749 CB ARG A 133 19.963 -11.798 -10.473 1.00 0.00 C ATOM 750 CG ARG A 133 19.436 -12.180 -11.864 1.00 0.00 C ATOM 751 CD ARG A 133 17.915 -12.357 -11.828 1.00 0.00 C ATOM 752 NE ARG A 133 17.376 -12.462 -13.191 1.00 0.00 N ATOM 753 CZ ARG A 133 16.074 -12.656 -13.457 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.207 -12.832 -12.459 1.00 0.00 N ATOM 755 NH2 ARG A 133 15.644 -12.671 -14.722 1.00 0.00 N ATOM 0 H ARG A 133 20.197 -11.534 -8.054 1.00 0.00 H new ATOM 0 HA ARG A 133 18.901 -13.429 -9.537 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.372 -10.976 -10.068 1.00 0.00 H new ATOM 0 HB3 ARG A 133 20.990 -11.442 -10.553 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.702 -11.407 -12.585 1.00 0.00 H new ATOM 0 HG3 ARG A 133 19.908 -13.104 -12.198 1.00 0.00 H new ATOM 0 HD2 ARG A 133 17.661 -13.252 -11.260 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.457 -11.512 -11.314 1.00 0.00 H new ATOM 0 HE ARG A 133 18.024 -12.384 -13.975 1.00 0.00 H new ATOM 0 HH11 ARG A 133 15.533 -12.819 -11.492 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.218 -12.979 -12.662 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.305 -12.535 -15.487 1.00 0.00 H new ATOM 0 HH22 ARG A 133 14.655 -12.818 -14.923 1.00 0.00 H new ATOM 769 N TRP A 134 22.177 -13.856 -9.679 1.00 0.00 N ATOM 770 CA TRP A 134 23.223 -14.781 -10.058 1.00 0.00 C ATOM 771 C TRP A 134 23.129 -16.083 -9.252 1.00 0.00 C ATOM 772 O TRP A 134 23.147 -17.167 -9.826 1.00 0.00 O ATOM 773 CB TRP A 134 24.581 -14.105 -9.857 1.00 0.00 C ATOM 774 CG TRP A 134 25.667 -14.682 -10.695 1.00 0.00 C ATOM 775 CD1 TRP A 134 26.718 -15.395 -10.255 1.00 0.00 C ATOM 776 CD2 TRP A 134 25.823 -14.607 -12.135 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.519 -15.780 -11.304 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.007 -15.317 -12.502 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.083 -14.009 -13.178 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.423 -15.432 -13.828 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.498 -14.122 -14.510 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.660 -14.840 -14.838 1.00 0.00 C ATOM 0 H TRP A 134 22.512 -13.026 -9.190 1.00 0.00 H new ATOM 0 HA TRP A 134 23.105 -15.047 -11.108 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.485 -13.043 -10.083 1.00 0.00 H new ATOM 0 HB3 TRP A 134 24.864 -14.183 -8.807 1.00 0.00 H new ATOM 0 HD1 TRP A 134 26.907 -15.633 -9.219 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.373 -16.331 -11.211 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.185 -13.457 -12.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.325 -15.973 -14.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.920 -13.653 -15.292 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.963 -14.934 -15.870 1.00 0.00 H new ATOM 793 N HIS A 135 23.031 -15.977 -7.922 1.00 0.00 N ATOM 794 CA HIS A 135 22.981 -17.149 -7.050 1.00 0.00 C ATOM 795 C HIS A 135 21.554 -17.710 -6.946 1.00 0.00 C ATOM 796 O HIS A 135 21.194 -18.298 -5.927 1.00 0.00 O ATOM 797 CB HIS A 135 23.530 -16.766 -5.671 1.00 0.00 C ATOM 798 CG HIS A 135 25.028 -16.597 -5.679 1.00 0.00 C ATOM 799 ND1 HIS A 135 25.893 -17.567 -5.186 1.00 0.00 N ATOM 800 CD2 HIS A 135 25.847 -15.588 -6.119 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.144 -17.092 -5.348 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.186 -15.885 -5.912 1.00 0.00 N ATOM 0 H HIS A 135 22.985 -15.086 -7.427 1.00 0.00 H new ATOM 0 HA HIS A 135 23.598 -17.940 -7.477 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.064 -15.838 -5.342 1.00 0.00 H new ATOM 0 HB3 HIS A 135 23.257 -17.534 -4.947 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.492 -14.674 -6.571 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.027 -17.637 -5.050 1.00 0.00 H new ATOM 0 HE2 HIS A 135 28.004 -15.318 -6.137 1.00 0.00 H new ATOM 810 N ASN A 136 20.752 -17.545 -8.007 1.00 0.00 N ATOM 811 CA ASN A 136 19.399 -18.092 -8.062 1.00 0.00 C ATOM 812 C ASN A 136 19.236 -18.891 -9.334 1.00 0.00 C ATOM 813 O ASN A 136 19.201 -20.119 -9.313 1.00 0.00 O ATOM 814 CB ASN A 136 18.363 -16.959 -8.046 1.00 0.00 C ATOM 815 CG ASN A 136 17.935 -16.640 -6.634 1.00 0.00 C ATOM 816 OD1 ASN A 136 16.794 -16.885 -6.254 1.00 0.00 O ATOM 817 ND2 ASN A 136 18.849 -16.095 -5.858 1.00 0.00 N ATOM 0 H ASN A 136 21.025 -17.031 -8.844 1.00 0.00 H new ATOM 0 HA ASN A 136 19.242 -18.731 -7.193 1.00 0.00 H new ATOM 0 HB2 ASN A 136 18.785 -16.069 -8.512 1.00 0.00 H new ATOM 0 HB3 ASN A 136 17.494 -17.247 -8.637 1.00 0.00 H new ATOM 0 HD21 ASN A 136 18.622 -15.857 -4.893 1.00 0.00 H new ATOM 0 HD22 ASN A 136 19.784 -15.911 -6.222 1.00 0.00 H new ATOM 824 N HIS A 137 19.118 -18.169 -10.440 1.00 0.00 N ATOM 825 CA HIS A 137 18.881 -18.772 -11.743 1.00 0.00 C ATOM 826 C HIS A 137 20.183 -19.268 -12.380 1.00 0.00 C ATOM 827 O HIS A 137 20.433 -20.471 -12.409 1.00 0.00 O ATOM 828 CB HIS A 137 18.187 -17.752 -12.649 1.00 0.00 C ATOM 829 CG HIS A 137 16.970 -17.140 -12.014 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.055 -17.870 -11.263 1.00 0.00 N ATOM 831 CD2 HIS A 137 16.497 -15.859 -12.001 1.00 0.00 C ATOM 832 CE1 HIS A 137 15.110 -16.999 -10.853 1.00 0.00 C ATOM 833 NE2 HIS A 137 15.323 -15.749 -11.272 1.00 0.00 N ATOM 0 H HIS A 137 19.184 -17.151 -10.459 1.00 0.00 H new ATOM 0 HA HIS A 137 18.238 -19.642 -11.614 1.00 0.00 H new ATOM 0 HB2 HIS A 137 18.893 -16.962 -12.906 1.00 0.00 H new ATOM 0 HB3 HIS A 137 17.899 -18.238 -13.581 1.00 0.00 H new ATOM 0 HD1 HIS A 137 16.091 -18.869 -11.061 1.00 0.00 H new ATOM 0 HD2 HIS A 137 16.980 -15.031 -12.499 1.00 0.00 H new ATOM 0 HE1 HIS A 137 14.264 -17.285 -10.245 1.00 0.00 H new ATOM 841 N LEU A 138 20.998 -18.342 -12.910 1.00 0.00 N ATOM 842 CA LEU A 138 22.225 -18.694 -13.621 1.00 0.00 C ATOM 843 C LEU A 138 23.459 -18.227 -12.847 1.00 0.00 C ATOM 844 O LEU A 138 23.600 -17.043 -12.557 1.00 0.00 O ATOM 845 CB LEU A 138 22.190 -18.072 -15.032 1.00 0.00 C ATOM 846 CG LEU A 138 21.850 -16.566 -14.970 1.00 0.00 C ATOM 847 CD1 LEU A 138 22.820 -15.783 -15.848 1.00 0.00 C ATOM 848 CD2 LEU A 138 20.428 -16.333 -15.478 1.00 0.00 C ATOM 0 H LEU A 138 20.822 -17.339 -12.856 1.00 0.00 H new ATOM 0 HA LEU A 138 22.289 -19.779 -13.710 1.00 0.00 H new ATOM 0 HB2 LEU A 138 23.156 -18.210 -15.517 1.00 0.00 H new ATOM 0 HB3 LEU A 138 21.450 -18.590 -15.642 1.00 0.00 H new ATOM 0 HG LEU A 138 21.931 -16.230 -13.936 1.00 0.00 H new ATOM 0 HD11 LEU A 138 22.577 -14.721 -15.802 1.00 0.00 H new ATOM 0 HD12 LEU A 138 23.839 -15.938 -15.493 1.00 0.00 H new ATOM 0 HD13 LEU A 138 22.739 -16.129 -16.878 1.00 0.00 H new ATOM 0 HD21 LEU A 138 20.195 -15.269 -15.432 1.00 0.00 H new ATOM 0 HD22 LEU A 138 20.349 -16.677 -16.509 1.00 0.00 H new ATOM 0 HD23 LEU A 138 19.724 -16.886 -14.856 1.00 0.00 H new ATOM 860 N ASN A 139 24.364 -19.171 -12.526 1.00 0.00 N ATOM 861 CA ASN A 139 25.599 -18.853 -11.818 1.00 0.00 C ATOM 862 C ASN A 139 26.824 -19.433 -12.560 1.00 0.00 C ATOM 863 O ASN A 139 27.649 -20.108 -11.944 1.00 0.00 O ATOM 864 CB ASN A 139 25.505 -19.407 -10.385 1.00 0.00 C ATOM 865 CG ASN A 139 26.397 -18.622 -9.420 1.00 0.00 C ATOM 866 OD1 ASN A 139 25.899 -17.941 -8.531 1.00 0.00 O ATOM 867 ND2 ASN A 139 27.715 -18.719 -9.591 1.00 0.00 N ATOM 0 H ASN A 139 24.254 -20.160 -12.750 1.00 0.00 H new ATOM 0 HA ASN A 139 25.729 -17.772 -11.779 1.00 0.00 H new ATOM 0 HB2 ASN A 139 24.471 -19.363 -10.044 1.00 0.00 H new ATOM 0 HB3 ASN A 139 25.797 -20.457 -10.380 1.00 0.00 H new ATOM 0 HD21 ASN A 139 28.348 -18.216 -8.970 1.00 0.00 H new ATOM 0 HD22 ASN A 139 28.091 -19.297 -10.343 1.00 0.00 H new ATOM 874 N PRO A 140 26.967 -19.171 -13.883 1.00 0.00 N ATOM 875 CA PRO A 140 28.118 -19.623 -14.650 1.00 0.00 C ATOM 876 C PRO A 140 29.368 -18.845 -14.228 1.00 0.00 C ATOM 877 O PRO A 140 29.333 -18.101 -13.247 1.00 0.00 O ATOM 878 CB PRO A 140 27.759 -19.330 -16.109 1.00 0.00 C ATOM 879 CG PRO A 140 26.662 -18.273 -16.054 1.00 0.00 C ATOM 880 CD PRO A 140 26.014 -18.422 -14.681 1.00 0.00 C ATOM 0 HA PRO A 140 28.337 -20.679 -14.493 1.00 0.00 H new ATOM 0 HB2 PRO A 140 28.626 -18.967 -16.661 1.00 0.00 H new ATOM 0 HB3 PRO A 140 27.412 -20.230 -16.616 1.00 0.00 H new ATOM 0 HG2 PRO A 140 27.075 -17.273 -16.186 1.00 0.00 H new ATOM 0 HG3 PRO A 140 25.933 -18.424 -16.850 1.00 0.00 H new ATOM 0 HD2 PRO A 140 25.809 -17.448 -14.236 1.00 0.00 H new ATOM 0 HD3 PRO A 140 25.062 -18.948 -14.751 1.00 0.00 H new ATOM 888 N GLU A 141 30.465 -19.020 -14.989 1.00 0.00 N ATOM 889 CA GLU A 141 31.739 -18.339 -14.747 1.00 0.00 C ATOM 890 C GLU A 141 32.380 -18.850 -13.453 1.00 0.00 C ATOM 891 O GLU A 141 33.415 -19.501 -13.489 1.00 0.00 O ATOM 892 CB GLU A 141 31.542 -16.808 -14.710 1.00 0.00 C ATOM 893 CG GLU A 141 30.714 -16.338 -15.918 1.00 0.00 C ATOM 894 CD GLU A 141 31.330 -16.806 -17.231 1.00 0.00 C ATOM 895 OE1 GLU A 141 32.312 -16.163 -17.658 1.00 0.00 O ATOM 896 OE2 GLU A 141 30.806 -17.796 -17.784 1.00 0.00 O ATOM 0 H GLU A 141 30.486 -19.645 -15.795 1.00 0.00 H new ATOM 0 HA GLU A 141 32.417 -18.565 -15.570 1.00 0.00 H new ATOM 0 HB2 GLU A 141 31.040 -16.523 -13.785 1.00 0.00 H new ATOM 0 HB3 GLU A 141 32.512 -16.311 -14.712 1.00 0.00 H new ATOM 0 HG2 GLU A 141 29.697 -16.721 -15.835 1.00 0.00 H new ATOM 0 HG3 GLU A 141 30.646 -15.250 -15.914 1.00 0.00 H new HETATM 903 N NH2 A 142 31.769 -18.557 -12.314 1.00 0.00 N TER 906 NH2 A 142