USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 460 hydrogens (2 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 110 TYR OH : rot -142:sc= 0.541 USER MOD Set 1.2: A 121 HIS : no HE2:sc= 0.336 K(o=0.88,f=-0.33) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.246 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= -0.0816 X(o=-0.082,f=-0.23) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0536) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 162:sc= 1.18 (180deg=0.511) USER MOD Single : A 128 LYS NZ :NH3+ -155:sc= 0.956 (180deg=0.0463) USER MOD Single : A 129 GLN : amide:sc= -0.0179 X(o=-0.018,f=-0.32) USER MOD Single : A 130 CYS SG : rot 88:sc= 0.0906 USER MOD Single : A 135 HIS : no HD1:sc= -0.863 X(o=-0.86,f=-0.57) USER MOD Single : A 136 ASN : amide:sc= 0.134 K(o=0.13,f=-0.6) USER MOD Single : A 137 HIS : no HE2:sc= -0.0355 K(o=-0.036,f=-3.9!) USER MOD Single : A 139 ASN : amide:sc= -0.235 K(o=-0.24,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 90 9.948 1.837 -6.799 1.00 0.00 N ATOM 2 CA LEU A 90 11.181 1.130 -7.191 1.00 0.00 C ATOM 3 C LEU A 90 10.867 -0.333 -7.488 1.00 0.00 C ATOM 4 O LEU A 90 9.772 -0.799 -7.180 1.00 0.00 O ATOM 5 CB LEU A 90 12.241 1.227 -6.080 1.00 0.00 C ATOM 6 CG LEU A 90 12.714 2.680 -5.901 1.00 0.00 C ATOM 7 CD1 LEU A 90 13.511 2.793 -4.600 1.00 0.00 C ATOM 8 CD2 LEU A 90 13.607 3.094 -7.077 1.00 0.00 C ATOM 0 HA LEU A 90 11.581 1.601 -8.089 1.00 0.00 H new ATOM 0 HB2 LEU A 90 11.826 0.857 -5.142 1.00 0.00 H new ATOM 0 HB3 LEU A 90 13.091 0.591 -6.326 1.00 0.00 H new ATOM 0 HG LEU A 90 11.844 3.336 -5.865 1.00 0.00 H new ATOM 0 HD11 LEU A 90 13.849 3.821 -4.468 1.00 0.00 H new ATOM 0 HD12 LEU A 90 12.878 2.509 -3.760 1.00 0.00 H new ATOM 0 HD13 LEU A 90 14.375 2.130 -4.644 1.00 0.00 H new ATOM 0 HD21 LEU A 90 13.936 4.124 -6.939 1.00 0.00 H new ATOM 0 HD22 LEU A 90 14.477 2.439 -7.122 1.00 0.00 H new ATOM 0 HD23 LEU A 90 13.044 3.014 -8.007 1.00 0.00 H new ATOM 22 N ILE A 91 11.839 -1.045 -8.085 1.00 0.00 N ATOM 23 CA ILE A 91 11.700 -2.462 -8.435 1.00 0.00 C ATOM 24 C ILE A 91 10.666 -2.633 -9.558 1.00 0.00 C ATOM 25 O ILE A 91 9.826 -1.761 -9.781 1.00 0.00 O ATOM 26 CB ILE A 91 11.320 -3.295 -7.185 1.00 0.00 C ATOM 27 CG1 ILE A 91 12.226 -2.932 -5.988 1.00 0.00 C ATOM 28 CG2 ILE A 91 11.458 -4.792 -7.495 1.00 0.00 C ATOM 29 CD1 ILE A 91 13.708 -3.095 -6.350 1.00 0.00 C ATOM 0 H ILE A 91 12.744 -0.649 -8.337 1.00 0.00 H new ATOM 0 HA ILE A 91 12.658 -2.831 -8.801 1.00 0.00 H new ATOM 0 HB ILE A 91 10.287 -3.068 -6.923 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.034 -1.904 -5.681 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.984 -3.569 -5.138 1.00 0.00 H new ATOM 0 HG21 ILE A 91 11.190 -5.373 -6.612 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.794 -5.056 -8.319 1.00 0.00 H new ATOM 0 HG23 ILE A 91 12.488 -5.012 -7.775 1.00 0.00 H new ATOM 0 HD11 ILE A 91 14.324 -2.833 -5.490 1.00 0.00 H new ATOM 0 HD12 ILE A 91 13.902 -4.130 -6.633 1.00 0.00 H new ATOM 0 HD13 ILE A 91 13.953 -2.438 -7.185 1.00 0.00 H new ATOM 41 N LYS A 92 10.743 -3.765 -10.268 1.00 0.00 N ATOM 42 CA LYS A 92 9.837 -4.073 -11.366 1.00 0.00 C ATOM 43 C LYS A 92 9.597 -5.587 -11.391 1.00 0.00 C ATOM 44 O LYS A 92 9.495 -6.211 -10.337 1.00 0.00 O ATOM 45 CB LYS A 92 10.455 -3.563 -12.682 1.00 0.00 C ATOM 46 CG LYS A 92 9.372 -3.429 -13.770 1.00 0.00 C ATOM 47 CD LYS A 92 9.140 -1.952 -14.115 1.00 0.00 C ATOM 48 CE LYS A 92 8.458 -1.238 -12.942 1.00 0.00 C ATOM 49 NZ LYS A 92 8.080 0.138 -13.308 1.00 0.00 N ATOM 0 H LYS A 92 11.438 -4.490 -10.092 1.00 0.00 H new ATOM 0 HA LYS A 92 8.874 -3.579 -11.237 1.00 0.00 H new ATOM 0 HB2 LYS A 92 10.934 -2.598 -12.516 1.00 0.00 H new ATOM 0 HB3 LYS A 92 11.232 -4.251 -13.016 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.676 -3.974 -14.664 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.442 -3.879 -13.423 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.091 -1.470 -14.341 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.521 -1.872 -15.009 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.571 -1.794 -12.640 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.130 -1.218 -12.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.620 0.599 -12.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.931 0.673 -13.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 7.421 0.115 -14.112 1.00 0.00 H new ATOM 63 N GLY A 93 9.510 -6.176 -12.588 1.00 0.00 N ATOM 64 CA GLY A 93 9.302 -7.609 -12.730 1.00 0.00 C ATOM 65 C GLY A 93 10.537 -8.371 -12.239 1.00 0.00 C ATOM 66 O GLY A 93 11.547 -7.754 -11.893 1.00 0.00 O ATOM 0 H GLY A 93 9.582 -5.674 -13.473 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.425 -7.915 -12.159 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.105 -7.854 -13.774 1.00 0.00 H new ATOM 70 N PRO A 94 10.459 -9.717 -12.204 1.00 0.00 N ATOM 71 CA PRO A 94 11.550 -10.560 -11.753 1.00 0.00 C ATOM 72 C PRO A 94 12.684 -10.579 -12.786 1.00 0.00 C ATOM 73 O PRO A 94 12.914 -11.590 -13.451 1.00 0.00 O ATOM 74 CB PRO A 94 10.929 -11.944 -11.551 1.00 0.00 C ATOM 75 CG PRO A 94 9.578 -11.924 -12.277 1.00 0.00 C ATOM 76 CD PRO A 94 9.278 -10.458 -12.597 1.00 0.00 C ATOM 0 HA PRO A 94 12.003 -10.197 -10.831 1.00 0.00 H new ATOM 0 HB2 PRO A 94 11.576 -12.722 -11.956 1.00 0.00 H new ATOM 0 HB3 PRO A 94 10.797 -12.159 -10.491 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.619 -12.520 -13.189 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.795 -12.353 -11.651 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.068 -10.325 -13.658 1.00 0.00 H new ATOM 0 HD3 PRO A 94 8.400 -10.111 -12.053 1.00 0.00 H new ATOM 84 N TRP A 95 13.387 -9.445 -12.901 1.00 0.00 N ATOM 85 CA TRP A 95 14.513 -9.279 -13.820 1.00 0.00 C ATOM 86 C TRP A 95 14.080 -9.494 -15.280 1.00 0.00 C ATOM 87 O TRP A 95 12.942 -9.877 -15.553 1.00 0.00 O ATOM 88 CB TRP A 95 15.647 -10.234 -13.419 1.00 0.00 C ATOM 89 CG TRP A 95 16.468 -9.758 -12.263 1.00 0.00 C ATOM 90 CD1 TRP A 95 16.088 -9.748 -10.973 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.811 -9.197 -12.273 1.00 0.00 C ATOM 92 NE1 TRP A 95 17.077 -9.225 -10.173 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.175 -8.860 -10.931 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.760 -8.929 -13.279 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.408 -8.284 -10.615 1.00 0.00 C ATOM 96 CZ3 TRP A 95 20.001 -8.346 -12.965 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.326 -8.024 -11.637 1.00 0.00 C ATOM 0 H TRP A 95 13.185 -8.610 -12.351 1.00 0.00 H new ATOM 0 HA TRP A 95 14.879 -8.255 -13.750 1.00 0.00 H new ATOM 0 HB2 TRP A 95 15.219 -11.205 -13.171 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.301 -10.384 -14.278 1.00 0.00 H new ATOM 0 HD1 TRP A 95 15.134 -10.103 -10.613 1.00 0.00 H new ATOM 0 HE1 TRP A 95 17.010 -9.121 -9.161 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.532 -9.175 -14.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.650 -8.042 -9.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.711 -8.144 -13.753 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.282 -7.577 -11.406 1.00 0.00 H new ATOM 108 N THR A 96 15.004 -9.231 -16.221 1.00 0.00 N ATOM 109 CA THR A 96 14.741 -9.390 -17.649 1.00 0.00 C ATOM 110 C THR A 96 15.950 -10.048 -18.309 1.00 0.00 C ATOM 111 O THR A 96 17.044 -10.027 -17.755 1.00 0.00 O ATOM 112 CB THR A 96 14.455 -8.021 -18.296 1.00 0.00 C ATOM 113 OG1 THR A 96 15.669 -7.336 -18.524 1.00 0.00 O ATOM 114 CG2 THR A 96 13.559 -7.174 -17.387 1.00 0.00 C ATOM 0 H THR A 96 15.946 -8.905 -16.008 1.00 0.00 H new ATOM 0 HA THR A 96 13.864 -10.022 -17.789 1.00 0.00 H new ATOM 0 HB THR A 96 13.943 -8.187 -19.244 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.482 -6.467 -18.937 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.368 -6.211 -17.860 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.614 -7.692 -17.223 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.057 -7.016 -16.430 1.00 0.00 H new ATOM 122 N LYS A 97 15.751 -10.629 -19.499 1.00 0.00 N ATOM 123 CA LYS A 97 16.828 -11.288 -20.227 1.00 0.00 C ATOM 124 C LYS A 97 17.952 -10.290 -20.526 1.00 0.00 C ATOM 125 O LYS A 97 19.124 -10.643 -20.459 1.00 0.00 O ATOM 126 CB LYS A 97 16.264 -11.895 -21.523 1.00 0.00 C ATOM 127 CG LYS A 97 17.394 -12.442 -22.415 1.00 0.00 C ATOM 128 CD LYS A 97 18.200 -13.515 -21.670 1.00 0.00 C ATOM 129 CE LYS A 97 19.252 -14.109 -22.611 1.00 0.00 C ATOM 130 NZ LYS A 97 20.189 -14.979 -21.877 1.00 0.00 N ATOM 0 H LYS A 97 14.849 -10.653 -19.974 1.00 0.00 H new ATOM 0 HA LYS A 97 17.249 -12.089 -19.619 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.568 -12.697 -21.280 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.700 -11.138 -22.068 1.00 0.00 H new ATOM 0 HG2 LYS A 97 16.972 -12.864 -23.327 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.053 -11.628 -22.716 1.00 0.00 H new ATOM 0 HD2 LYS A 97 18.683 -13.080 -20.795 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.535 -14.300 -21.309 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.760 -14.681 -23.397 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.803 -13.305 -23.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 20.891 -15.368 -22.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 20.674 -14.425 -21.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.663 -15.758 -21.432 1.00 0.00 H new ATOM 144 N GLU A 98 17.591 -9.046 -20.857 1.00 0.00 N ATOM 145 CA GLU A 98 18.571 -8.012 -21.168 1.00 0.00 C ATOM 146 C GLU A 98 19.384 -7.679 -19.918 1.00 0.00 C ATOM 147 O GLU A 98 20.610 -7.590 -19.974 1.00 0.00 O ATOM 148 CB GLU A 98 17.848 -6.769 -21.692 1.00 0.00 C ATOM 149 CG GLU A 98 18.874 -5.704 -22.093 1.00 0.00 C ATOM 150 CD GLU A 98 18.197 -4.501 -22.737 1.00 0.00 C ATOM 151 OE1 GLU A 98 17.008 -4.277 -22.420 1.00 0.00 O ATOM 152 OE2 GLU A 98 18.883 -3.827 -23.535 1.00 0.00 O ATOM 0 H GLU A 98 16.622 -8.734 -20.915 1.00 0.00 H new ATOM 0 HA GLU A 98 19.255 -8.370 -21.937 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.228 -7.032 -22.549 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.181 -6.375 -20.925 1.00 0.00 H new ATOM 0 HG2 GLU A 98 19.431 -5.383 -21.213 1.00 0.00 H new ATOM 0 HG3 GLU A 98 19.595 -6.134 -22.788 1.00 0.00 H new ATOM 159 N GLU A 99 18.696 -7.499 -18.791 1.00 0.00 N ATOM 160 CA GLU A 99 19.343 -7.193 -17.528 1.00 0.00 C ATOM 161 C GLU A 99 20.293 -8.335 -17.158 1.00 0.00 C ATOM 162 O GLU A 99 21.442 -8.097 -16.787 1.00 0.00 O ATOM 163 CB GLU A 99 18.259 -6.991 -16.468 1.00 0.00 C ATOM 164 CG GLU A 99 18.752 -6.037 -15.383 1.00 0.00 C ATOM 165 CD GLU A 99 17.645 -5.752 -14.377 1.00 0.00 C ATOM 166 OE1 GLU A 99 16.660 -6.531 -14.370 1.00 0.00 O ATOM 167 OE2 GLU A 99 17.799 -4.762 -13.632 1.00 0.00 O ATOM 0 H GLU A 99 17.680 -7.562 -18.734 1.00 0.00 H new ATOM 0 HA GLU A 99 19.934 -6.280 -17.600 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.357 -6.591 -16.932 1.00 0.00 H new ATOM 0 HB3 GLU A 99 17.991 -7.950 -16.025 1.00 0.00 H new ATOM 0 HG2 GLU A 99 19.612 -6.471 -14.873 1.00 0.00 H new ATOM 0 HG3 GLU A 99 19.088 -5.104 -15.836 1.00 0.00 H new ATOM 174 N ASP A 100 19.809 -9.577 -17.277 1.00 0.00 N ATOM 175 CA ASP A 100 20.609 -10.759 -16.994 1.00 0.00 C ATOM 176 C ASP A 100 21.804 -10.818 -17.944 1.00 0.00 C ATOM 177 O ASP A 100 22.907 -11.171 -17.533 1.00 0.00 O ATOM 178 CB ASP A 100 19.734 -12.007 -17.144 1.00 0.00 C ATOM 179 CG ASP A 100 19.008 -12.315 -15.846 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.672 -12.840 -14.930 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.798 -12.019 -15.789 1.00 0.00 O ATOM 0 H ASP A 100 18.854 -9.783 -17.572 1.00 0.00 H new ATOM 0 HA ASP A 100 20.988 -10.713 -15.973 1.00 0.00 H new ATOM 0 HB2 ASP A 100 19.010 -11.855 -17.944 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.352 -12.858 -17.431 1.00 0.00 H new ATOM 186 N GLN A 101 21.587 -10.466 -19.218 1.00 0.00 N ATOM 187 CA GLN A 101 22.655 -10.456 -20.203 1.00 0.00 C ATOM 188 C GLN A 101 23.727 -9.457 -19.768 1.00 0.00 C ATOM 189 O GLN A 101 24.917 -9.693 -19.977 1.00 0.00 O ATOM 190 CB GLN A 101 22.081 -10.096 -21.583 1.00 0.00 C ATOM 191 CG GLN A 101 23.183 -10.129 -22.650 1.00 0.00 C ATOM 192 CD GLN A 101 23.827 -11.509 -22.736 1.00 0.00 C ATOM 193 OE1 GLN A 101 23.277 -12.415 -23.357 1.00 0.00 O ATOM 194 NE2 GLN A 101 24.992 -11.667 -22.110 1.00 0.00 N ATOM 0 H GLN A 101 20.677 -10.185 -19.583 1.00 0.00 H new ATOM 0 HA GLN A 101 23.111 -11.443 -20.276 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.289 -10.797 -21.848 1.00 0.00 H new ATOM 0 HB3 GLN A 101 21.630 -9.104 -21.548 1.00 0.00 H new ATOM 0 HG2 GLN A 101 22.763 -9.860 -23.619 1.00 0.00 H new ATOM 0 HG3 GLN A 101 23.943 -9.384 -22.415 1.00 0.00 H new ATOM 0 HE21 GLN A 101 25.411 -10.885 -21.607 1.00 0.00 H new ATOM 0 HE22 GLN A 101 25.466 -12.570 -22.134 1.00 0.00 H new ATOM 203 N ARG A 102 23.302 -8.344 -19.154 1.00 0.00 N ATOM 204 CA ARG A 102 24.227 -7.339 -18.669 1.00 0.00 C ATOM 205 C ARG A 102 25.043 -7.914 -17.506 1.00 0.00 C ATOM 206 O ARG A 102 26.248 -7.693 -17.435 1.00 0.00 O ATOM 207 CB ARG A 102 23.456 -6.081 -18.246 1.00 0.00 C ATOM 208 CG ARG A 102 24.344 -4.838 -18.421 1.00 0.00 C ATOM 209 CD ARG A 102 24.118 -4.195 -19.798 1.00 0.00 C ATOM 210 NE ARG A 102 24.530 -5.094 -20.898 1.00 0.00 N ATOM 211 CZ ARG A 102 23.665 -5.733 -21.719 1.00 0.00 C ATOM 212 NH1 ARG A 102 22.341 -5.668 -21.512 1.00 0.00 N ATOM 213 NH2 ARG A 102 24.134 -6.443 -22.753 1.00 0.00 N ATOM 0 H ARG A 102 22.320 -8.127 -18.987 1.00 0.00 H new ATOM 0 HA ARG A 102 24.917 -7.056 -19.464 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.552 -5.980 -18.846 1.00 0.00 H new ATOM 0 HB3 ARG A 102 23.141 -6.170 -17.206 1.00 0.00 H new ATOM 0 HG2 ARG A 102 24.123 -4.114 -17.636 1.00 0.00 H new ATOM 0 HG3 ARG A 102 25.392 -5.116 -18.312 1.00 0.00 H new ATOM 0 HD2 ARG A 102 23.064 -3.941 -19.912 1.00 0.00 H new ATOM 0 HD3 ARG A 102 24.680 -3.263 -19.861 1.00 0.00 H new ATOM 0 HE ARG A 102 25.528 -5.241 -21.047 1.00 0.00 H new ATOM 0 HH11 ARG A 102 21.973 -5.131 -20.727 1.00 0.00 H new ATOM 0 HH12 ARG A 102 21.702 -6.155 -22.140 1.00 0.00 H new ATOM 0 HH21 ARG A 102 25.139 -6.500 -22.918 1.00 0.00 H new ATOM 0 HH22 ARG A 102 23.486 -6.927 -23.375 1.00 0.00 H new ATOM 227 N VAL A 103 24.392 -8.668 -16.598 1.00 0.00 N ATOM 228 CA VAL A 103 25.099 -9.302 -15.486 1.00 0.00 C ATOM 229 C VAL A 103 26.172 -10.223 -16.057 1.00 0.00 C ATOM 230 O VAL A 103 27.330 -10.134 -15.672 1.00 0.00 O ATOM 231 CB VAL A 103 24.121 -10.092 -14.601 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.902 -10.881 -13.544 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.165 -9.135 -13.895 1.00 0.00 C ATOM 0 H VAL A 103 23.388 -8.847 -16.618 1.00 0.00 H new ATOM 0 HA VAL A 103 25.563 -8.538 -14.862 1.00 0.00 H new ATOM 0 HB VAL A 103 23.554 -10.777 -15.231 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.206 -11.440 -12.919 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.583 -11.574 -14.037 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.473 -10.191 -12.923 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.476 -9.704 -13.271 1.00 0.00 H new ATOM 0 HG22 VAL A 103 23.735 -8.445 -13.272 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.600 -8.571 -14.638 1.00 0.00 H new ATOM 243 N ILE A 104 25.774 -11.101 -16.989 1.00 0.00 N ATOM 244 CA ILE A 104 26.698 -12.011 -17.655 1.00 0.00 C ATOM 245 C ILE A 104 27.895 -11.216 -18.190 1.00 0.00 C ATOM 246 O ILE A 104 29.043 -11.601 -17.986 1.00 0.00 O ATOM 247 CB ILE A 104 25.947 -12.721 -18.800 1.00 0.00 C ATOM 248 CG1 ILE A 104 25.211 -13.947 -18.262 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.931 -13.160 -19.897 1.00 0.00 C ATOM 250 CD1 ILE A 104 24.021 -14.286 -19.163 1.00 0.00 C ATOM 0 H ILE A 104 24.806 -11.195 -17.296 1.00 0.00 H new ATOM 0 HA ILE A 104 27.072 -12.761 -16.958 1.00 0.00 H new ATOM 0 HB ILE A 104 25.228 -12.021 -19.225 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.892 -14.796 -18.212 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.865 -13.756 -17.246 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.385 -13.659 -20.697 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.443 -12.285 -20.298 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.664 -13.847 -19.474 1.00 0.00 H new ATOM 0 HD11 ILE A 104 23.504 -15.161 -18.769 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.333 -13.441 -19.191 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.377 -14.498 -20.171 1.00 0.00 H new ATOM 262 N GLU A 105 27.606 -10.104 -18.875 1.00 0.00 N ATOM 263 CA GLU A 105 28.624 -9.243 -19.461 1.00 0.00 C ATOM 264 C GLU A 105 29.627 -8.785 -18.395 1.00 0.00 C ATOM 265 O GLU A 105 30.831 -8.991 -18.539 1.00 0.00 O ATOM 266 CB GLU A 105 27.925 -8.021 -20.084 1.00 0.00 C ATOM 267 CG GLU A 105 28.192 -7.950 -21.587 1.00 0.00 C ATOM 268 CD GLU A 105 27.267 -6.927 -22.238 1.00 0.00 C ATOM 269 OE1 GLU A 105 27.115 -5.835 -21.646 1.00 0.00 O ATOM 270 OE2 GLU A 105 26.716 -7.254 -23.310 1.00 0.00 O ATOM 0 H GLU A 105 26.652 -9.780 -19.036 1.00 0.00 H new ATOM 0 HA GLU A 105 29.173 -9.795 -20.224 1.00 0.00 H new ATOM 0 HB2 GLU A 105 26.852 -8.079 -19.903 1.00 0.00 H new ATOM 0 HB3 GLU A 105 28.280 -7.109 -19.604 1.00 0.00 H new ATOM 0 HG2 GLU A 105 29.232 -7.677 -21.767 1.00 0.00 H new ATOM 0 HG3 GLU A 105 28.037 -8.930 -22.038 1.00 0.00 H new ATOM 277 N LEU A 106 29.121 -8.146 -17.336 1.00 0.00 N ATOM 278 CA LEU A 106 29.959 -7.582 -16.285 1.00 0.00 C ATOM 279 C LEU A 106 30.711 -8.669 -15.514 1.00 0.00 C ATOM 280 O LEU A 106 31.860 -8.462 -15.132 1.00 0.00 O ATOM 281 CB LEU A 106 29.086 -6.756 -15.336 1.00 0.00 C ATOM 282 CG LEU A 106 28.438 -5.580 -16.089 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.481 -4.850 -15.148 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.513 -4.606 -16.580 1.00 0.00 C ATOM 0 H LEU A 106 28.121 -8.008 -17.188 1.00 0.00 H new ATOM 0 HA LEU A 106 30.710 -6.941 -16.747 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.312 -7.388 -14.901 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.691 -6.379 -14.511 1.00 0.00 H new ATOM 0 HG LEU A 106 27.893 -5.964 -16.951 1.00 0.00 H new ATOM 0 HD11 LEU A 106 27.018 -4.016 -15.675 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.707 -5.539 -14.809 1.00 0.00 H new ATOM 0 HD13 LEU A 106 28.034 -4.474 -14.287 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.040 -3.780 -17.111 1.00 0.00 H new ATOM 0 HD22 LEU A 106 30.070 -4.218 -15.727 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.195 -5.126 -17.252 1.00 0.00 H new ATOM 296 N VAL A 107 30.079 -9.821 -15.276 1.00 0.00 N ATOM 297 CA VAL A 107 30.717 -10.900 -14.539 1.00 0.00 C ATOM 298 C VAL A 107 31.834 -11.498 -15.392 1.00 0.00 C ATOM 299 O VAL A 107 32.901 -11.805 -14.881 1.00 0.00 O ATOM 300 CB VAL A 107 29.673 -11.955 -14.149 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.371 -13.190 -13.579 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.742 -11.380 -13.076 1.00 0.00 C ATOM 0 H VAL A 107 29.128 -10.025 -15.585 1.00 0.00 H new ATOM 0 HA VAL A 107 31.157 -10.517 -13.618 1.00 0.00 H new ATOM 0 HB VAL A 107 29.100 -12.231 -15.035 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.625 -13.935 -13.304 1.00 0.00 H new ATOM 0 HG12 VAL A 107 31.042 -13.608 -14.330 1.00 0.00 H new ATOM 0 HG13 VAL A 107 30.945 -12.909 -12.696 1.00 0.00 H new ATOM 0 HG21 VAL A 107 28.000 -12.129 -12.799 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.326 -11.105 -12.198 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.237 -10.497 -13.468 1.00 0.00 H new ATOM 312 N GLN A 108 31.593 -11.650 -16.696 1.00 0.00 N ATOM 313 CA GLN A 108 32.602 -12.168 -17.604 1.00 0.00 C ATOM 314 C GLN A 108 33.761 -11.168 -17.693 1.00 0.00 C ATOM 315 O GLN A 108 34.918 -11.565 -17.814 1.00 0.00 O ATOM 316 CB GLN A 108 31.969 -12.405 -18.979 1.00 0.00 C ATOM 317 CG GLN A 108 32.972 -13.099 -19.906 1.00 0.00 C ATOM 318 CD GLN A 108 32.324 -13.455 -21.239 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.666 -12.884 -22.271 1.00 0.00 O ATOM 320 NE2 GLN A 108 31.385 -14.401 -21.217 1.00 0.00 N ATOM 0 H GLN A 108 30.705 -11.420 -17.141 1.00 0.00 H new ATOM 0 HA GLN A 108 32.993 -13.117 -17.237 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.073 -13.018 -18.875 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.657 -11.455 -19.413 1.00 0.00 H new ATOM 0 HG2 GLN A 108 33.828 -12.446 -20.076 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.350 -14.003 -19.428 1.00 0.00 H new ATOM 0 HE21 GLN A 108 31.133 -14.849 -20.336 1.00 0.00 H new ATOM 0 HE22 GLN A 108 30.919 -14.677 -22.081 1.00 0.00 H new ATOM 329 N LYS A 109 33.436 -9.869 -17.631 1.00 0.00 N ATOM 330 CA LYS A 109 34.429 -8.809 -17.706 1.00 0.00 C ATOM 331 C LYS A 109 35.318 -8.813 -16.458 1.00 0.00 C ATOM 332 O LYS A 109 36.530 -8.981 -16.562 1.00 0.00 O ATOM 333 CB LYS A 109 33.703 -7.464 -17.850 1.00 0.00 C ATOM 334 CG LYS A 109 34.717 -6.340 -18.084 1.00 0.00 C ATOM 335 CD LYS A 109 33.978 -5.002 -18.197 1.00 0.00 C ATOM 336 CE LYS A 109 34.983 -3.845 -18.187 1.00 0.00 C ATOM 337 NZ LYS A 109 35.860 -3.884 -19.372 1.00 0.00 N ATOM 0 H LYS A 109 32.478 -9.533 -17.528 1.00 0.00 H new ATOM 0 HA LYS A 109 35.073 -8.971 -18.570 1.00 0.00 H new ATOM 0 HB2 LYS A 109 33.000 -7.509 -18.682 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.121 -7.258 -16.952 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.433 -6.304 -17.263 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.285 -6.532 -18.994 1.00 0.00 H new ATOM 0 HD2 LYS A 109 33.392 -4.977 -19.116 1.00 0.00 H new ATOM 0 HD3 LYS A 109 33.277 -4.893 -17.369 1.00 0.00 H new ATOM 0 HE2 LYS A 109 34.447 -2.896 -18.160 1.00 0.00 H new ATOM 0 HE3 LYS A 109 35.589 -3.895 -17.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 36.447 -3.026 -19.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 36.474 -4.722 -19.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 35.278 -3.931 -20.233 1.00 0.00 H new ATOM 351 N TYR A 110 34.709 -8.612 -15.282 1.00 0.00 N ATOM 352 CA TYR A 110 35.442 -8.544 -14.025 1.00 0.00 C ATOM 353 C TYR A 110 35.594 -9.938 -13.418 1.00 0.00 C ATOM 354 O TYR A 110 36.701 -10.466 -13.337 1.00 0.00 O ATOM 355 CB TYR A 110 34.692 -7.617 -13.059 1.00 0.00 C ATOM 356 CG TYR A 110 34.534 -6.203 -13.575 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.665 -5.387 -13.760 1.00 0.00 C ATOM 358 CD2 TYR A 110 33.253 -5.700 -13.864 1.00 0.00 C ATOM 359 CE1 TYR A 110 35.513 -4.072 -14.230 1.00 0.00 C ATOM 360 CE2 TYR A 110 33.104 -4.387 -14.333 1.00 0.00 C ATOM 361 CZ TYR A 110 34.231 -3.572 -14.514 1.00 0.00 C ATOM 362 OH TYR A 110 34.080 -2.294 -14.965 1.00 0.00 O ATOM 0 H TYR A 110 33.701 -8.493 -15.182 1.00 0.00 H new ATOM 0 HA TYR A 110 36.440 -8.147 -14.208 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.705 -8.035 -12.861 1.00 0.00 H new ATOM 0 HB3 TYR A 110 35.224 -7.590 -12.108 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.650 -5.772 -13.541 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.384 -6.325 -13.725 1.00 0.00 H new ATOM 0 HE1 TYR A 110 36.381 -3.446 -14.373 1.00 0.00 H new ATOM 0 HE2 TYR A 110 32.120 -4.003 -14.555 1.00 0.00 H new ATOM 0 HH TYR A 110 33.276 -1.900 -14.567 1.00 0.00 H new ATOM 372 N GLY A 111 34.475 -10.520 -12.981 1.00 0.00 N ATOM 373 CA GLY A 111 34.463 -11.833 -12.356 1.00 0.00 C ATOM 374 C GLY A 111 33.300 -11.904 -11.368 1.00 0.00 C ATOM 375 O GLY A 111 32.675 -10.880 -11.087 1.00 0.00 O ATOM 0 H GLY A 111 33.553 -10.089 -13.053 1.00 0.00 H new ATOM 0 HA2 GLY A 111 34.361 -12.610 -13.114 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.406 -12.013 -11.840 1.00 0.00 H new ATOM 379 N PRO A 112 33.008 -13.106 -10.836 1.00 0.00 N ATOM 380 CA PRO A 112 31.939 -13.300 -9.874 1.00 0.00 C ATOM 381 C PRO A 112 32.166 -12.438 -8.627 1.00 0.00 C ATOM 382 O PRO A 112 33.236 -11.847 -8.463 1.00 0.00 O ATOM 383 CB PRO A 112 31.947 -14.796 -9.535 1.00 0.00 C ATOM 384 CG PRO A 112 33.102 -15.427 -10.325 1.00 0.00 C ATOM 385 CD PRO A 112 33.726 -14.315 -11.167 1.00 0.00 C ATOM 0 HA PRO A 112 30.973 -12.997 -10.277 1.00 0.00 H new ATOM 0 HB2 PRO A 112 32.083 -14.948 -8.464 1.00 0.00 H new ATOM 0 HB3 PRO A 112 30.997 -15.258 -9.805 1.00 0.00 H new ATOM 0 HG2 PRO A 112 33.840 -15.860 -9.650 1.00 0.00 H new ATOM 0 HG3 PRO A 112 32.739 -16.235 -10.961 1.00 0.00 H new ATOM 0 HD2 PRO A 112 34.788 -14.209 -10.946 1.00 0.00 H new ATOM 0 HD3 PRO A 112 33.642 -14.539 -12.231 1.00 0.00 H new ATOM 393 N LYS A 113 31.147 -12.367 -7.755 1.00 0.00 N ATOM 394 CA LYS A 113 31.204 -11.556 -6.540 1.00 0.00 C ATOM 395 C LYS A 113 31.368 -10.082 -6.929 1.00 0.00 C ATOM 396 O LYS A 113 31.001 -9.693 -8.037 1.00 0.00 O ATOM 397 CB LYS A 113 32.348 -12.033 -5.625 1.00 0.00 C ATOM 398 CG LYS A 113 32.252 -13.547 -5.409 1.00 0.00 C ATOM 399 CD LYS A 113 33.257 -13.977 -4.337 1.00 0.00 C ATOM 400 CE LYS A 113 33.189 -15.494 -4.147 1.00 0.00 C ATOM 401 NZ LYS A 113 34.144 -15.943 -3.118 1.00 0.00 N ATOM 0 H LYS A 113 30.268 -12.869 -7.876 1.00 0.00 H new ATOM 0 HA LYS A 113 30.277 -11.667 -5.978 1.00 0.00 H new ATOM 0 HB2 LYS A 113 33.310 -11.782 -6.071 1.00 0.00 H new ATOM 0 HB3 LYS A 113 32.297 -11.517 -4.666 1.00 0.00 H new ATOM 0 HG2 LYS A 113 31.241 -13.818 -5.104 1.00 0.00 H new ATOM 0 HG3 LYS A 113 32.454 -14.071 -6.343 1.00 0.00 H new ATOM 0 HD2 LYS A 113 34.265 -13.682 -4.630 1.00 0.00 H new ATOM 0 HD3 LYS A 113 33.038 -13.472 -3.396 1.00 0.00 H new ATOM 0 HE2 LYS A 113 32.178 -15.783 -3.860 1.00 0.00 H new ATOM 0 HE3 LYS A 113 33.407 -15.992 -5.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 34.077 -16.975 -3.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 35.110 -15.687 -3.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 33.919 -15.484 -2.212 1.00 0.00 H new ATOM 415 N ARG A 114 31.923 -9.263 -6.023 1.00 0.00 N ATOM 416 CA ARG A 114 32.159 -7.850 -6.303 1.00 0.00 C ATOM 417 C ARG A 114 30.833 -7.147 -6.624 1.00 0.00 C ATOM 418 O ARG A 114 30.725 -6.409 -7.607 1.00 0.00 O ATOM 419 CB ARG A 114 33.165 -7.746 -7.468 1.00 0.00 C ATOM 420 CG ARG A 114 34.413 -6.980 -7.031 1.00 0.00 C ATOM 421 CD ARG A 114 35.415 -6.912 -8.194 1.00 0.00 C ATOM 422 NE ARG A 114 36.016 -8.234 -8.466 1.00 0.00 N ATOM 423 CZ ARG A 114 35.487 -9.147 -9.313 1.00 0.00 C ATOM 424 NH1 ARG A 114 34.381 -8.870 -10.021 1.00 0.00 N ATOM 425 NH2 ARG A 114 36.073 -10.343 -9.443 1.00 0.00 N ATOM 0 H ARG A 114 32.215 -9.561 -5.092 1.00 0.00 H new ATOM 0 HA ARG A 114 32.581 -7.350 -5.431 1.00 0.00 H new ATOM 0 HB2 ARG A 114 33.444 -8.744 -7.806 1.00 0.00 H new ATOM 0 HB3 ARG A 114 32.699 -7.241 -8.314 1.00 0.00 H new ATOM 0 HG2 ARG A 114 34.141 -5.973 -6.714 1.00 0.00 H new ATOM 0 HG3 ARG A 114 34.871 -7.472 -6.173 1.00 0.00 H new ATOM 0 HD2 ARG A 114 34.911 -6.549 -9.090 1.00 0.00 H new ATOM 0 HD3 ARG A 114 36.201 -6.195 -7.957 1.00 0.00 H new ATOM 0 HE ARG A 114 36.883 -8.473 -7.986 1.00 0.00 H new ATOM 0 HH11 ARG A 114 33.928 -7.961 -9.924 1.00 0.00 H new ATOM 0 HH12 ARG A 114 33.994 -9.568 -10.656 1.00 0.00 H new ATOM 0 HH21 ARG A 114 36.912 -10.561 -8.906 1.00 0.00 H new ATOM 0 HH22 ARG A 114 35.680 -11.037 -10.079 1.00 0.00 H new ATOM 439 N TRP A 115 29.821 -7.378 -5.783 1.00 0.00 N ATOM 440 CA TRP A 115 28.505 -6.791 -5.972 1.00 0.00 C ATOM 441 C TRP A 115 28.499 -5.350 -5.470 1.00 0.00 C ATOM 442 O TRP A 115 27.781 -5.002 -4.537 1.00 0.00 O ATOM 443 CB TRP A 115 27.476 -7.660 -5.256 1.00 0.00 C ATOM 444 CG TRP A 115 27.567 -9.103 -5.636 1.00 0.00 C ATOM 445 CD1 TRP A 115 27.839 -10.117 -4.800 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.433 -9.714 -6.956 1.00 0.00 C ATOM 447 NE1 TRP A 115 27.881 -11.313 -5.475 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.642 -11.122 -6.824 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.165 -9.228 -8.260 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.592 -11.990 -7.917 1.00 0.00 C ATOM 451 CZ3 TRP A 115 27.108 -10.103 -9.360 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.328 -11.474 -9.190 1.00 0.00 C ATOM 0 H TRP A 115 29.897 -7.974 -4.959 1.00 0.00 H new ATOM 0 HA TRP A 115 28.246 -6.758 -7.030 1.00 0.00 H new ATOM 0 HB2 TRP A 115 27.613 -7.564 -4.179 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.476 -7.292 -5.484 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.003 -10.007 -3.738 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.063 -12.218 -5.041 1.00 0.00 H new ATOM 0 HE3 TRP A 115 27.002 -8.171 -8.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 27.756 -13.049 -7.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.893 -9.713 -10.344 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.294 -12.135 -10.043 1.00 0.00 H new ATOM 463 N SER A 116 29.314 -4.522 -6.121 1.00 0.00 N ATOM 464 CA SER A 116 29.435 -3.109 -5.821 1.00 0.00 C ATOM 465 C SER A 116 29.827 -2.406 -7.113 1.00 0.00 C ATOM 466 O SER A 116 29.148 -1.486 -7.556 1.00 0.00 O ATOM 467 CB SER A 116 30.486 -2.899 -4.725 1.00 0.00 C ATOM 468 OG SER A 116 30.608 -1.521 -4.441 1.00 0.00 O ATOM 0 H SER A 116 29.917 -4.827 -6.885 1.00 0.00 H new ATOM 0 HA SER A 116 28.496 -2.698 -5.449 1.00 0.00 H new ATOM 0 HB2 SER A 116 30.200 -3.442 -3.824 1.00 0.00 H new ATOM 0 HB3 SER A 116 31.447 -3.300 -5.047 1.00 0.00 H new ATOM 0 HG SER A 116 31.279 -1.390 -3.739 1.00 0.00 H new ATOM 474 N VAL A 117 30.921 -2.871 -7.730 1.00 0.00 N ATOM 475 CA VAL A 117 31.366 -2.354 -9.012 1.00 0.00 C ATOM 476 C VAL A 117 30.309 -2.704 -10.057 1.00 0.00 C ATOM 477 O VAL A 117 29.895 -1.854 -10.840 1.00 0.00 O ATOM 478 CB VAL A 117 32.726 -2.982 -9.363 1.00 0.00 C ATOM 479 CG1 VAL A 117 33.119 -2.620 -10.799 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.796 -2.462 -8.398 1.00 0.00 C ATOM 0 H VAL A 117 31.512 -3.611 -7.351 1.00 0.00 H new ATOM 0 HA VAL A 117 31.491 -1.272 -8.980 1.00 0.00 H new ATOM 0 HB VAL A 117 32.648 -4.066 -9.276 1.00 0.00 H new ATOM 0 HG11 VAL A 117 34.083 -3.070 -11.037 1.00 0.00 H new ATOM 0 HG12 VAL A 117 32.363 -2.996 -11.489 1.00 0.00 H new ATOM 0 HG13 VAL A 117 33.191 -1.537 -10.894 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.759 -2.908 -8.648 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.865 -1.377 -8.482 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.526 -2.730 -7.377 1.00 0.00 H new ATOM 490 N ILE A 118 29.872 -3.968 -10.048 1.00 0.00 N ATOM 491 CA ILE A 118 28.854 -4.450 -10.964 1.00 0.00 C ATOM 492 C ILE A 118 27.544 -3.694 -10.713 1.00 0.00 C ATOM 493 O ILE A 118 26.891 -3.250 -11.655 1.00 0.00 O ATOM 494 CB ILE A 118 28.680 -5.967 -10.759 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.995 -6.687 -11.123 1.00 0.00 C ATOM 496 CG2 ILE A 118 27.545 -6.490 -11.649 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.961 -8.137 -10.640 1.00 0.00 C ATOM 0 H ILE A 118 30.219 -4.678 -9.403 1.00 0.00 H new ATOM 0 HA ILE A 118 29.151 -4.272 -11.998 1.00 0.00 H new ATOM 0 HB ILE A 118 28.432 -6.162 -9.716 1.00 0.00 H new ATOM 0 HG12 ILE A 118 30.145 -6.660 -12.202 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.839 -6.166 -10.671 1.00 0.00 H new ATOM 0 HG21 ILE A 118 27.429 -7.563 -11.498 1.00 0.00 H new ATOM 0 HG22 ILE A 118 26.615 -5.984 -11.388 1.00 0.00 H new ATOM 0 HG23 ILE A 118 27.783 -6.295 -12.695 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.896 -8.631 -10.905 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.834 -8.157 -9.558 1.00 0.00 H new ATOM 0 HD13 ILE A 118 29.129 -8.659 -11.113 1.00 0.00 H new ATOM 509 N ALA A 119 27.166 -3.548 -9.435 1.00 0.00 N ATOM 510 CA ALA A 119 25.938 -2.855 -9.060 1.00 0.00 C ATOM 511 C ALA A 119 25.960 -1.409 -9.566 1.00 0.00 C ATOM 512 O ALA A 119 24.951 -0.914 -10.064 1.00 0.00 O ATOM 513 CB ALA A 119 25.783 -2.892 -7.539 1.00 0.00 C ATOM 0 H ALA A 119 27.701 -3.905 -8.643 1.00 0.00 H new ATOM 0 HA ALA A 119 25.086 -3.357 -9.520 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.867 -2.375 -7.254 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.735 -3.928 -7.203 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.637 -2.399 -7.074 1.00 0.00 H new ATOM 519 N LYS A 120 27.113 -0.732 -9.438 1.00 0.00 N ATOM 520 CA LYS A 120 27.256 0.653 -9.881 1.00 0.00 C ATOM 521 C LYS A 120 26.958 0.778 -11.378 1.00 0.00 C ATOM 522 O LYS A 120 26.558 1.847 -11.837 1.00 0.00 O ATOM 523 CB LYS A 120 28.672 1.148 -9.569 1.00 0.00 C ATOM 524 CG LYS A 120 28.752 1.586 -8.102 1.00 0.00 C ATOM 525 CD LYS A 120 30.216 1.751 -7.677 1.00 0.00 C ATOM 526 CE LYS A 120 30.874 2.878 -8.480 1.00 0.00 C ATOM 527 NZ LYS A 120 32.212 3.195 -7.948 1.00 0.00 N ATOM 0 H LYS A 120 27.959 -1.129 -9.029 1.00 0.00 H new ATOM 0 HA LYS A 120 26.536 1.272 -9.345 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.396 0.356 -9.763 1.00 0.00 H new ATOM 0 HB3 LYS A 120 28.929 1.982 -10.223 1.00 0.00 H new ATOM 0 HG2 LYS A 120 28.218 2.527 -7.966 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.263 0.847 -7.467 1.00 0.00 H new ATOM 0 HD2 LYS A 120 30.270 1.974 -6.611 1.00 0.00 H new ATOM 0 HD3 LYS A 120 30.756 0.818 -7.836 1.00 0.00 H new ATOM 0 HE2 LYS A 120 30.955 2.584 -9.526 1.00 0.00 H new ATOM 0 HE3 LYS A 120 30.245 3.768 -8.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 32.636 3.961 -8.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 32.129 3.497 -6.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 32.816 2.350 -8.003 1.00 0.00 H new ATOM 541 N HIS A 121 27.149 -0.306 -12.138 1.00 0.00 N ATOM 542 CA HIS A 121 26.886 -0.298 -13.565 1.00 0.00 C ATOM 543 C HIS A 121 25.412 -0.599 -13.799 1.00 0.00 C ATOM 544 O HIS A 121 24.760 0.077 -14.601 1.00 0.00 O ATOM 545 CB HIS A 121 27.777 -1.330 -14.254 1.00 0.00 C ATOM 546 CG HIS A 121 29.237 -1.134 -13.938 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.788 0.112 -13.662 1.00 0.00 N ATOM 548 CD2 HIS A 121 30.285 -2.011 -13.840 1.00 0.00 C ATOM 549 CE1 HIS A 121 31.098 -0.086 -13.422 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.470 -1.364 -13.518 1.00 0.00 N ATOM 0 H HIS A 121 27.486 -1.199 -11.779 1.00 0.00 H new ATOM 0 HA HIS A 121 27.113 0.681 -13.987 1.00 0.00 H new ATOM 0 HB2 HIS A 121 27.473 -2.331 -13.947 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.631 -1.270 -15.332 1.00 0.00 H new ATOM 0 HD1 HIS A 121 29.295 1.005 -13.645 1.00 0.00 H new ATOM 0 HD2 HIS A 121 30.199 -3.076 -13.995 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.782 0.713 -13.176 1.00 0.00 H new ATOM 558 N LEU A 122 24.881 -1.607 -13.089 1.00 0.00 N ATOM 559 CA LEU A 122 23.479 -1.973 -13.202 1.00 0.00 C ATOM 560 C LEU A 122 22.646 -1.003 -12.370 1.00 0.00 C ATOM 561 O LEU A 122 22.075 -1.375 -11.344 1.00 0.00 O ATOM 562 CB LEU A 122 23.270 -3.421 -12.734 1.00 0.00 C ATOM 563 CG LEU A 122 24.154 -4.389 -13.538 1.00 0.00 C ATOM 564 CD1 LEU A 122 23.728 -5.826 -13.243 1.00 0.00 C ATOM 565 CD2 LEU A 122 24.010 -4.130 -15.038 1.00 0.00 C ATOM 0 H LEU A 122 25.411 -2.179 -12.431 1.00 0.00 H new ATOM 0 HA LEU A 122 23.162 -1.911 -14.243 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.506 -3.502 -11.673 1.00 0.00 H new ATOM 0 HB3 LEU A 122 22.222 -3.697 -12.850 1.00 0.00 H new ATOM 0 HG LEU A 122 25.193 -4.234 -13.247 1.00 0.00 H new ATOM 0 HD11 LEU A 122 24.353 -6.515 -13.812 1.00 0.00 H new ATOM 0 HD12 LEU A 122 23.842 -6.028 -12.178 1.00 0.00 H new ATOM 0 HD13 LEU A 122 22.685 -5.962 -13.529 1.00 0.00 H new ATOM 0 HD21 LEU A 122 24.643 -4.825 -15.590 1.00 0.00 H new ATOM 0 HD22 LEU A 122 22.971 -4.273 -15.334 1.00 0.00 H new ATOM 0 HD23 LEU A 122 24.313 -3.107 -15.261 1.00 0.00 H new ATOM 577 N LYS A 123 22.589 0.252 -12.830 1.00 0.00 N ATOM 578 CA LYS A 123 21.857 1.306 -12.150 1.00 0.00 C ATOM 579 C LYS A 123 20.373 0.956 -12.105 1.00 0.00 C ATOM 580 O LYS A 123 19.654 1.158 -13.082 1.00 0.00 O ATOM 581 CB LYS A 123 22.090 2.629 -12.887 1.00 0.00 C ATOM 582 CG LYS A 123 23.532 3.098 -12.657 1.00 0.00 C ATOM 583 CD LYS A 123 23.870 4.243 -13.622 1.00 0.00 C ATOM 584 CE LYS A 123 24.802 3.742 -14.734 1.00 0.00 C ATOM 585 NZ LYS A 123 24.184 2.650 -15.509 1.00 0.00 N ATOM 0 H LYS A 123 23.052 0.557 -13.686 1.00 0.00 H new ATOM 0 HA LYS A 123 22.210 1.408 -11.124 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.904 2.501 -13.953 1.00 0.00 H new ATOM 0 HB3 LYS A 123 21.390 3.384 -12.530 1.00 0.00 H new ATOM 0 HG2 LYS A 123 23.655 3.431 -11.626 1.00 0.00 H new ATOM 0 HG3 LYS A 123 24.222 2.268 -12.808 1.00 0.00 H new ATOM 0 HD2 LYS A 123 22.955 4.643 -14.058 1.00 0.00 H new ATOM 0 HD3 LYS A 123 24.347 5.058 -13.078 1.00 0.00 H new ATOM 0 HE2 LYS A 123 25.050 4.567 -15.401 1.00 0.00 H new ATOM 0 HE3 LYS A 123 25.738 3.394 -14.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 24.683 2.542 -16.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 24.248 1.763 -14.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 23.185 2.874 -15.689 1.00 0.00 H new ATOM 599 N GLY A 124 19.927 0.424 -10.964 1.00 0.00 N ATOM 600 CA GLY A 124 18.545 0.019 -10.777 1.00 0.00 C ATOM 601 C GLY A 124 18.469 -1.117 -9.761 1.00 0.00 C ATOM 602 O GLY A 124 17.467 -1.255 -9.060 1.00 0.00 O ATOM 0 H GLY A 124 20.519 0.265 -10.149 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.952 0.866 -10.433 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.119 -0.303 -11.728 1.00 0.00 H new ATOM 606 N ARG A 125 19.536 -1.932 -9.684 1.00 0.00 N ATOM 607 CA ARG A 125 19.599 -3.054 -8.758 1.00 0.00 C ATOM 608 C ARG A 125 20.819 -2.893 -7.854 1.00 0.00 C ATOM 609 O ARG A 125 21.942 -2.768 -8.337 1.00 0.00 O ATOM 610 CB ARG A 125 19.672 -4.370 -9.550 1.00 0.00 C ATOM 611 CG ARG A 125 18.459 -4.511 -10.488 1.00 0.00 C ATOM 612 CD ARG A 125 17.183 -4.814 -9.687 1.00 0.00 C ATOM 613 NE ARG A 125 15.984 -4.569 -10.500 1.00 0.00 N ATOM 614 CZ ARG A 125 15.643 -5.331 -11.550 1.00 0.00 C ATOM 615 NH1 ARG A 125 16.258 -6.494 -11.759 1.00 0.00 N ATOM 616 NH2 ARG A 125 14.687 -4.923 -12.393 1.00 0.00 N ATOM 0 H ARG A 125 20.369 -1.824 -10.262 1.00 0.00 H new ATOM 0 HA ARG A 125 18.705 -3.076 -8.136 1.00 0.00 H new ATOM 0 HB2 ARG A 125 20.593 -4.399 -10.132 1.00 0.00 H new ATOM 0 HB3 ARG A 125 19.704 -5.214 -8.860 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.326 -3.592 -11.059 1.00 0.00 H new ATOM 0 HG3 ARG A 125 18.641 -5.310 -11.207 1.00 0.00 H new ATOM 0 HD2 ARG A 125 17.196 -5.852 -9.354 1.00 0.00 H new ATOM 0 HD3 ARG A 125 17.154 -4.192 -8.792 1.00 0.00 H new ATOM 0 HE ARG A 125 15.383 -3.783 -10.254 1.00 0.00 H new ATOM 0 HH11 ARG A 125 16.989 -6.806 -11.120 1.00 0.00 H new ATOM 0 HH12 ARG A 125 15.998 -7.072 -12.558 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.217 -4.031 -12.238 1.00 0.00 H new ATOM 0 HH22 ARG A 125 14.429 -5.504 -13.191 1.00 0.00 H new ATOM 630 N ILE A 126 20.586 -2.888 -6.536 1.00 0.00 N ATOM 631 CA ILE A 126 21.651 -2.713 -5.555 1.00 0.00 C ATOM 632 C ILE A 126 22.510 -3.978 -5.461 1.00 0.00 C ATOM 633 O ILE A 126 22.254 -4.967 -6.157 1.00 0.00 O ATOM 634 CB ILE A 126 21.033 -2.366 -4.188 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.029 -3.456 -3.768 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.321 -1.011 -4.278 1.00 0.00 C ATOM 637 CD1 ILE A 126 19.767 -3.373 -2.263 1.00 0.00 C ATOM 0 H ILE A 126 19.659 -3.005 -6.127 1.00 0.00 H new ATOM 0 HA ILE A 126 22.299 -1.895 -5.869 1.00 0.00 H new ATOM 0 HB ILE A 126 21.825 -2.311 -3.441 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.095 -3.332 -4.316 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.420 -4.441 -4.024 1.00 0.00 H new ATOM 0 HG21 ILE A 126 19.883 -0.765 -3.311 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.039 -0.240 -4.558 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.533 -1.063 -5.030 1.00 0.00 H new ATOM 0 HD11 ILE A 126 19.056 -4.147 -1.974 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.702 -3.519 -1.722 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.356 -2.393 -2.019 1.00 0.00 H new ATOM 649 N GLY A 127 23.532 -3.940 -4.589 1.00 0.00 N ATOM 650 CA GLY A 127 24.433 -5.064 -4.382 1.00 0.00 C ATOM 651 C GLY A 127 23.767 -6.133 -3.515 1.00 0.00 C ATOM 652 O GLY A 127 24.281 -6.491 -2.458 1.00 0.00 O ATOM 0 H GLY A 127 23.748 -3.126 -4.013 1.00 0.00 H new ATOM 0 HA2 GLY A 127 24.716 -5.492 -5.344 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.350 -4.719 -3.904 1.00 0.00 H new ATOM 656 N LYS A 128 22.624 -6.638 -3.978 1.00 0.00 N ATOM 657 CA LYS A 128 21.877 -7.671 -3.285 1.00 0.00 C ATOM 658 C LYS A 128 21.094 -8.459 -4.325 1.00 0.00 C ATOM 659 O LYS A 128 21.239 -9.674 -4.428 1.00 0.00 O ATOM 660 CB LYS A 128 20.939 -7.029 -2.254 1.00 0.00 C ATOM 661 CG LYS A 128 20.374 -8.111 -1.324 1.00 0.00 C ATOM 662 CD LYS A 128 19.032 -7.653 -0.739 1.00 0.00 C ATOM 663 CE LYS A 128 17.896 -7.945 -1.731 1.00 0.00 C ATOM 664 NZ LYS A 128 17.582 -9.386 -1.777 1.00 0.00 N ATOM 0 H LYS A 128 22.193 -6.335 -4.851 1.00 0.00 H new ATOM 0 HA LYS A 128 22.547 -8.343 -2.748 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.479 -6.282 -1.672 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.125 -6.511 -2.761 1.00 0.00 H new ATOM 0 HG2 LYS A 128 20.241 -9.042 -1.875 1.00 0.00 H new ATOM 0 HG3 LYS A 128 21.080 -8.315 -0.519 1.00 0.00 H new ATOM 0 HD2 LYS A 128 18.843 -8.167 0.204 1.00 0.00 H new ATOM 0 HD3 LYS A 128 19.068 -6.586 -0.519 1.00 0.00 H new ATOM 0 HE2 LYS A 128 17.006 -7.386 -1.443 1.00 0.00 H new ATOM 0 HE3 LYS A 128 18.181 -7.601 -2.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 17.155 -9.619 -2.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 18.456 -9.936 -1.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 16.914 -9.620 -1.015 1.00 0.00 H new ATOM 678 N GLN A 129 20.273 -7.750 -5.108 1.00 0.00 N ATOM 679 CA GLN A 129 19.501 -8.362 -6.173 1.00 0.00 C ATOM 680 C GLN A 129 20.459 -8.966 -7.199 1.00 0.00 C ATOM 681 O GLN A 129 20.209 -10.048 -7.721 1.00 0.00 O ATOM 682 CB GLN A 129 18.602 -7.305 -6.818 1.00 0.00 C ATOM 683 CG GLN A 129 17.514 -6.875 -5.829 1.00 0.00 C ATOM 684 CD GLN A 129 16.611 -5.813 -6.446 1.00 0.00 C ATOM 685 OE1 GLN A 129 15.701 -6.133 -7.205 1.00 0.00 O ATOM 686 NE2 GLN A 129 16.867 -4.545 -6.120 1.00 0.00 N ATOM 0 H GLN A 129 20.132 -6.744 -5.015 1.00 0.00 H new ATOM 0 HA GLN A 129 18.868 -9.156 -5.776 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.197 -6.442 -7.116 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.146 -7.706 -7.723 1.00 0.00 H new ATOM 0 HG2 GLN A 129 16.919 -7.740 -5.537 1.00 0.00 H new ATOM 0 HG3 GLN A 129 17.975 -6.485 -4.922 1.00 0.00 H new ATOM 0 HE21 GLN A 129 17.635 -4.327 -5.485 1.00 0.00 H new ATOM 0 HE22 GLN A 129 16.295 -3.794 -6.506 1.00 0.00 H new ATOM 695 N CYS A 130 21.565 -8.260 -7.478 1.00 0.00 N ATOM 696 CA CYS A 130 22.574 -8.739 -8.415 1.00 0.00 C ATOM 697 C CYS A 130 23.187 -10.032 -7.880 1.00 0.00 C ATOM 698 O CYS A 130 23.415 -10.976 -8.635 1.00 0.00 O ATOM 699 CB CYS A 130 23.664 -7.673 -8.594 1.00 0.00 C ATOM 700 SG CYS A 130 22.935 -6.171 -9.297 1.00 0.00 S ATOM 0 H CYS A 130 21.777 -7.353 -7.063 1.00 0.00 H new ATOM 0 HA CYS A 130 22.111 -8.934 -9.382 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.129 -7.449 -7.634 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.450 -8.049 -9.249 1.00 0.00 H new ATOM 0 HG CYS A 130 22.504 -5.408 -8.337 1.00 0.00 H new ATOM 706 N ARG A 131 23.454 -10.060 -6.568 1.00 0.00 N ATOM 707 CA ARG A 131 24.054 -11.208 -5.915 1.00 0.00 C ATOM 708 C ARG A 131 23.161 -12.435 -6.077 1.00 0.00 C ATOM 709 O ARG A 131 23.578 -13.413 -6.686 1.00 0.00 O ATOM 710 CB ARG A 131 24.295 -10.862 -4.435 1.00 0.00 C ATOM 711 CG ARG A 131 25.035 -12.003 -3.700 1.00 0.00 C ATOM 712 CD ARG A 131 24.072 -13.116 -3.231 1.00 0.00 C ATOM 713 NE ARG A 131 22.789 -12.585 -2.738 1.00 0.00 N ATOM 714 CZ ARG A 131 22.648 -11.934 -1.571 1.00 0.00 C ATOM 715 NH1 ARG A 131 23.690 -11.797 -0.739 1.00 0.00 N ATOM 716 NH2 ARG A 131 21.456 -11.420 -1.241 1.00 0.00 N ATOM 0 H ARG A 131 23.256 -9.283 -5.938 1.00 0.00 H new ATOM 0 HA ARG A 131 25.012 -11.449 -6.376 1.00 0.00 H new ATOM 0 HB2 ARG A 131 24.879 -9.944 -4.365 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.340 -10.671 -3.945 1.00 0.00 H new ATOM 0 HG2 ARG A 131 25.788 -12.431 -4.362 1.00 0.00 H new ATOM 0 HG3 ARG A 131 25.563 -11.595 -2.838 1.00 0.00 H new ATOM 0 HD2 ARG A 131 23.884 -13.801 -4.058 1.00 0.00 H new ATOM 0 HD3 ARG A 131 24.549 -13.695 -2.440 1.00 0.00 H new ATOM 0 HE ARG A 131 21.960 -12.719 -3.316 1.00 0.00 H new ATOM 0 HH11 ARG A 131 24.598 -12.188 -0.990 1.00 0.00 H new ATOM 0 HH12 ARG A 131 23.575 -11.301 0.145 1.00 0.00 H new ATOM 0 HH21 ARG A 131 20.663 -11.524 -1.874 1.00 0.00 H new ATOM 0 HH22 ARG A 131 21.341 -10.925 -0.357 1.00 0.00 H new ATOM 730 N GLU A 132 21.938 -12.398 -5.528 1.00 0.00 N ATOM 731 CA GLU A 132 21.045 -13.553 -5.589 1.00 0.00 C ATOM 732 C GLU A 132 20.739 -13.922 -7.045 1.00 0.00 C ATOM 733 O GLU A 132 20.694 -15.101 -7.371 1.00 0.00 O ATOM 734 CB GLU A 132 19.765 -13.314 -4.760 1.00 0.00 C ATOM 735 CG GLU A 132 19.062 -12.035 -5.192 1.00 0.00 C ATOM 736 CD GLU A 132 18.552 -11.239 -3.989 1.00 0.00 C ATOM 737 OE1 GLU A 132 19.295 -11.172 -2.976 1.00 0.00 O ATOM 738 OE2 GLU A 132 17.428 -10.704 -4.098 1.00 0.00 O ATOM 0 H GLU A 132 21.552 -11.588 -5.043 1.00 0.00 H new ATOM 0 HA GLU A 132 21.551 -14.407 -5.139 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.089 -14.161 -4.877 1.00 0.00 H new ATOM 0 HB3 GLU A 132 20.020 -13.253 -3.702 1.00 0.00 H new ATOM 0 HG2 GLU A 132 19.750 -11.419 -5.772 1.00 0.00 H new ATOM 0 HG3 GLU A 132 18.226 -12.282 -5.847 1.00 0.00 H new ATOM 745 N ARG A 133 20.546 -12.943 -7.939 1.00 0.00 N ATOM 746 CA ARG A 133 20.297 -13.267 -9.340 1.00 0.00 C ATOM 747 C ARG A 133 21.417 -14.178 -9.841 1.00 0.00 C ATOM 748 O ARG A 133 21.163 -15.127 -10.584 1.00 0.00 O ATOM 749 CB ARG A 133 20.216 -11.991 -10.194 1.00 0.00 C ATOM 750 CG ARG A 133 19.732 -12.323 -11.619 1.00 0.00 C ATOM 751 CD ARG A 133 18.289 -12.843 -11.588 1.00 0.00 C ATOM 752 NE ARG A 133 17.738 -12.961 -12.944 1.00 0.00 N ATOM 753 CZ ARG A 133 16.562 -13.560 -13.211 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.933 -14.262 -12.263 1.00 0.00 N ATOM 755 NH2 ARG A 133 16.020 -13.455 -14.427 1.00 0.00 N ATOM 0 H ARG A 133 20.558 -11.947 -7.721 1.00 0.00 H new ATOM 0 HA ARG A 133 19.339 -13.780 -9.426 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.535 -11.278 -9.729 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.195 -11.514 -10.238 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.791 -11.433 -12.246 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.385 -13.072 -12.066 1.00 0.00 H new ATOM 0 HD2 ARG A 133 18.260 -13.815 -11.095 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.669 -12.168 -10.998 1.00 0.00 H new ATOM 0 HE ARG A 133 18.272 -12.571 -13.721 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.344 -14.345 -11.333 1.00 0.00 H new ATOM 0 HH12 ARG A 133 15.042 -14.714 -12.470 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.497 -12.921 -15.154 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.129 -13.909 -14.629 1.00 0.00 H new ATOM 769 N TRP A 134 22.658 -13.884 -9.421 1.00 0.00 N ATOM 770 CA TRP A 134 23.815 -14.660 -9.820 1.00 0.00 C ATOM 771 C TRP A 134 24.191 -15.702 -8.754 1.00 0.00 C ATOM 772 O TRP A 134 25.349 -16.098 -8.669 1.00 0.00 O ATOM 773 CB TRP A 134 24.982 -13.706 -10.073 1.00 0.00 C ATOM 774 CG TRP A 134 25.967 -14.233 -11.054 1.00 0.00 C ATOM 775 CD1 TRP A 134 27.211 -14.653 -10.778 1.00 0.00 C ATOM 776 CD2 TRP A 134 25.790 -14.443 -12.478 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.829 -15.120 -11.909 1.00 0.00 N ATOM 778 CE2 TRP A 134 26.987 -15.018 -13.003 1.00 0.00 C ATOM 779 CE3 TRP A 134 24.734 -14.216 -13.390 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.118 -15.364 -14.348 1.00 0.00 C ATOM 781 CZ3 TRP A 134 24.860 -14.565 -14.736 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.041 -15.152 -15.215 1.00 0.00 C ATOM 0 H TRP A 134 22.874 -13.104 -8.800 1.00 0.00 H new ATOM 0 HA TRP A 134 23.577 -15.207 -10.732 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.593 -12.754 -10.434 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.490 -13.505 -9.130 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.664 -14.627 -9.798 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.778 -15.491 -11.940 1.00 0.00 H new ATOM 0 HE3 TRP A 134 23.816 -13.766 -13.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.040 -15.790 -14.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.041 -14.381 -15.415 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.118 -15.440 -16.253 1.00 0.00 H new ATOM 793 N HIS A 135 23.221 -16.153 -7.949 1.00 0.00 N ATOM 794 CA HIS A 135 23.472 -17.165 -6.921 1.00 0.00 C ATOM 795 C HIS A 135 22.171 -17.911 -6.594 1.00 0.00 C ATOM 796 O HIS A 135 21.933 -18.281 -5.446 1.00 0.00 O ATOM 797 CB HIS A 135 24.068 -16.500 -5.666 1.00 0.00 C ATOM 798 CG HIS A 135 25.552 -16.245 -5.786 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.499 -17.246 -5.595 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.287 -15.119 -6.077 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.709 -16.678 -5.776 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.650 -15.380 -6.073 1.00 0.00 N ATOM 0 H HIS A 135 22.254 -15.831 -7.992 1.00 0.00 H new ATOM 0 HA HIS A 135 24.194 -17.892 -7.293 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.556 -15.556 -5.483 1.00 0.00 H new ATOM 0 HB3 HIS A 135 23.882 -17.136 -4.801 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.856 -14.150 -6.283 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.637 -17.223 -5.689 1.00 0.00 H new ATOM 0 HE2 HIS A 135 28.420 -14.735 -6.253 1.00 0.00 H new ATOM 810 N ASN A 136 21.336 -18.136 -7.617 1.00 0.00 N ATOM 811 CA ASN A 136 20.080 -18.869 -7.466 1.00 0.00 C ATOM 812 C ASN A 136 19.884 -19.744 -8.689 1.00 0.00 C ATOM 813 O ASN A 136 19.938 -20.968 -8.603 1.00 0.00 O ATOM 814 CB ASN A 136 18.898 -17.896 -7.345 1.00 0.00 C ATOM 815 CG ASN A 136 18.701 -17.410 -5.917 1.00 0.00 C ATOM 816 OD1 ASN A 136 17.808 -17.874 -5.215 1.00 0.00 O ATOM 817 ND2 ASN A 136 19.528 -16.466 -5.500 1.00 0.00 N ATOM 0 H ASN A 136 21.515 -17.815 -8.568 1.00 0.00 H new ATOM 0 HA ASN A 136 20.123 -19.476 -6.562 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.065 -17.040 -7.999 1.00 0.00 H new ATOM 0 HB3 ASN A 136 17.988 -18.387 -7.689 1.00 0.00 H new ATOM 0 HD21 ASN A 136 19.439 -16.091 -4.556 1.00 0.00 H new ATOM 0 HD22 ASN A 136 20.255 -16.113 -6.123 1.00 0.00 H new ATOM 824 N HIS A 137 19.645 -19.090 -9.828 1.00 0.00 N ATOM 825 CA HIS A 137 19.401 -19.776 -11.094 1.00 0.00 C ATOM 826 C HIS A 137 20.625 -19.664 -12.008 1.00 0.00 C ATOM 827 O HIS A 137 21.159 -20.680 -12.447 1.00 0.00 O ATOM 828 CB HIS A 137 18.148 -19.190 -11.777 1.00 0.00 C ATOM 829 CG HIS A 137 17.566 -18.001 -11.050 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.461 -18.101 -10.211 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.916 -16.674 -11.012 1.00 0.00 C ATOM 832 CE1 HIS A 137 16.221 -16.863 -9.734 1.00 0.00 C ATOM 833 NE2 HIS A 137 17.075 -15.944 -10.185 1.00 0.00 N ATOM 0 H HIS A 137 19.616 -18.073 -9.896 1.00 0.00 H new ATOM 0 HA HIS A 137 19.225 -20.833 -10.896 1.00 0.00 H new ATOM 0 HB2 HIS A 137 18.403 -18.894 -12.795 1.00 0.00 H new ATOM 0 HB3 HIS A 137 17.388 -19.968 -11.852 1.00 0.00 H new ATOM 0 HD1 HIS A 137 15.934 -18.948 -9.998 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.745 -16.250 -11.559 1.00 0.00 H new ATOM 0 HE1 HIS A 137 15.414 -16.637 -9.052 1.00 0.00 H new ATOM 841 N LEU A 138 21.066 -18.431 -12.300 1.00 0.00 N ATOM 842 CA LEU A 138 22.210 -18.210 -13.180 1.00 0.00 C ATOM 843 C LEU A 138 23.521 -18.453 -12.421 1.00 0.00 C ATOM 844 O LEU A 138 23.500 -18.875 -11.268 1.00 0.00 O ATOM 845 CB LEU A 138 22.163 -16.774 -13.741 1.00 0.00 C ATOM 846 CG LEU A 138 21.168 -16.685 -14.910 1.00 0.00 C ATOM 847 CD1 LEU A 138 19.783 -16.304 -14.389 1.00 0.00 C ATOM 848 CD2 LEU A 138 21.637 -15.620 -15.903 1.00 0.00 C ATOM 0 H LEU A 138 20.644 -17.576 -11.937 1.00 0.00 H new ATOM 0 HA LEU A 138 22.164 -18.914 -14.011 1.00 0.00 H new ATOM 0 HB2 LEU A 138 21.871 -16.079 -12.954 1.00 0.00 H new ATOM 0 HB3 LEU A 138 23.156 -16.476 -14.077 1.00 0.00 H new ATOM 0 HG LEU A 138 21.116 -17.655 -15.404 1.00 0.00 H new ATOM 0 HD11 LEU A 138 19.084 -16.243 -15.223 1.00 0.00 H new ATOM 0 HD12 LEU A 138 19.439 -17.060 -13.683 1.00 0.00 H new ATOM 0 HD13 LEU A 138 19.836 -15.337 -13.889 1.00 0.00 H new ATOM 0 HD21 LEU A 138 20.931 -15.558 -16.731 1.00 0.00 H new ATOM 0 HD22 LEU A 138 21.693 -14.654 -15.401 1.00 0.00 H new ATOM 0 HD23 LEU A 138 22.622 -15.888 -16.286 1.00 0.00 H new ATOM 860 N ASN A 139 24.651 -18.173 -13.106 1.00 0.00 N ATOM 861 CA ASN A 139 26.017 -18.319 -12.580 1.00 0.00 C ATOM 862 C ASN A 139 26.621 -19.673 -12.971 1.00 0.00 C ATOM 863 O ASN A 139 26.881 -20.503 -12.102 1.00 0.00 O ATOM 864 CB ASN A 139 26.062 -18.117 -11.056 1.00 0.00 C ATOM 865 CG ASN A 139 27.496 -17.897 -10.568 1.00 0.00 C ATOM 866 OD1 ASN A 139 28.452 -18.074 -11.320 1.00 0.00 O ATOM 867 ND2 ASN A 139 27.645 -17.506 -9.303 1.00 0.00 N ATOM 0 H ASN A 139 24.633 -17.830 -14.066 1.00 0.00 H new ATOM 0 HA ASN A 139 26.624 -17.536 -13.034 1.00 0.00 H new ATOM 0 HB2 ASN A 139 25.447 -17.260 -10.782 1.00 0.00 H new ATOM 0 HB3 ASN A 139 25.636 -18.988 -10.558 1.00 0.00 H new ATOM 0 HD21 ASN A 139 28.579 -17.342 -8.926 1.00 0.00 H new ATOM 0 HD22 ASN A 139 26.825 -17.370 -8.711 1.00 0.00 H new ATOM 874 N PRO A 140 26.873 -19.899 -14.280 1.00 0.00 N ATOM 875 CA PRO A 140 27.531 -21.096 -14.742 1.00 0.00 C ATOM 876 C PRO A 140 29.019 -20.987 -14.416 1.00 0.00 C ATOM 877 O PRO A 140 29.532 -21.749 -13.601 1.00 0.00 O ATOM 878 CB PRO A 140 27.296 -21.133 -16.252 1.00 0.00 C ATOM 879 CG PRO A 140 26.907 -19.706 -16.653 1.00 0.00 C ATOM 880 CD PRO A 140 26.538 -18.980 -15.355 1.00 0.00 C ATOM 0 HA PRO A 140 27.154 -22.004 -14.272 1.00 0.00 H new ATOM 0 HB2 PRO A 140 28.194 -21.455 -16.779 1.00 0.00 H new ATOM 0 HB3 PRO A 140 26.506 -21.839 -16.507 1.00 0.00 H new ATOM 0 HG2 PRO A 140 27.733 -19.205 -17.157 1.00 0.00 H new ATOM 0 HG3 PRO A 140 26.067 -19.713 -17.347 1.00 0.00 H new ATOM 0 HD2 PRO A 140 27.092 -18.046 -15.258 1.00 0.00 H new ATOM 0 HD3 PRO A 140 25.478 -18.726 -15.336 1.00 0.00 H new ATOM 888 N GLU A 141 29.690 -20.012 -15.070 1.00 0.00 N ATOM 889 CA GLU A 141 31.113 -19.727 -14.888 1.00 0.00 C ATOM 890 C GLU A 141 31.900 -21.005 -14.592 1.00 0.00 C ATOM 891 O GLU A 141 32.563 -21.115 -13.568 1.00 0.00 O ATOM 892 CB GLU A 141 31.281 -18.685 -13.768 1.00 0.00 C ATOM 893 CG GLU A 141 30.399 -17.452 -14.047 1.00 0.00 C ATOM 894 CD GLU A 141 30.539 -16.979 -15.490 1.00 0.00 C ATOM 895 OE1 GLU A 141 31.545 -16.292 -15.767 1.00 0.00 O ATOM 896 OE2 GLU A 141 29.635 -17.318 -16.288 1.00 0.00 O ATOM 0 H GLU A 141 29.241 -19.396 -15.748 1.00 0.00 H new ATOM 0 HA GLU A 141 31.518 -19.317 -15.813 1.00 0.00 H new ATOM 0 HB2 GLU A 141 31.009 -19.125 -12.809 1.00 0.00 H new ATOM 0 HB3 GLU A 141 32.326 -18.384 -13.696 1.00 0.00 H new ATOM 0 HG2 GLU A 141 29.356 -17.695 -13.842 1.00 0.00 H new ATOM 0 HG3 GLU A 141 30.676 -16.644 -13.370 1.00 0.00 H new HETATM 903 N NH2 A 142 31.825 -21.972 -15.500 1.00 0.00 N TER 906 NH2 A 142