USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=7 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 -134:sc= 1.26 USER MOD Set 1.2: A 121 HIS : no HE2:sc= 0.969 K(o=2.2,f=-2.9) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.449 USER MOD Single : A 97 LYS NZ :NH3+ 164:sc=-0.000855 (180deg=-0.161) USER MOD Single : A 101 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.28) USER MOD Single : A 108 GLN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 174:sc= 1.2 (180deg=1.16) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0.00949 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= -0.276 K(o=-0.28,f=-1.4) USER MOD Single : A 130 CYS SG : rot 79:sc= -0.0458 USER MOD Single : A 135 HIS : no HD1:sc= -0.0449 X(o=-0.045,f=-0.0011) USER MOD Single : A 136 ASN : amide:sc= 1.16 K(o=1.2,f=-0.0085) USER MOD Single : A 137 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.21) USER MOD Single : A 139 ASN : amide:sc= -0.665 K(o=-0.67,f=-3.7) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 90 8.077 -5.419 -7.283 1.00 0.00 N ATOM 2 CA LEU A 90 9.198 -5.021 -6.413 1.00 0.00 C ATOM 3 C LEU A 90 9.956 -3.848 -7.039 1.00 0.00 C ATOM 4 O LEU A 90 9.848 -2.722 -6.563 1.00 0.00 O ATOM 5 CB LEU A 90 10.131 -6.220 -6.166 1.00 0.00 C ATOM 6 CG LEU A 90 11.271 -5.836 -5.205 1.00 0.00 C ATOM 7 CD1 LEU A 90 10.720 -5.618 -3.792 1.00 0.00 C ATOM 8 CD2 LEU A 90 12.306 -6.963 -5.175 1.00 0.00 C ATOM 0 HA LEU A 90 8.806 -4.696 -5.449 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.561 -7.050 -5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 90 10.548 -6.564 -7.113 1.00 0.00 H new ATOM 0 HG LEU A 90 11.735 -4.913 -5.553 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.535 -5.347 -3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 90 9.982 -4.816 -3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 90 10.250 -6.536 -3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 90 13.115 -6.696 -4.496 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.833 -7.883 -4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 90 12.708 -7.114 -6.177 1.00 0.00 H new ATOM 22 N ILE A 91 10.720 -4.117 -8.107 1.00 0.00 N ATOM 23 CA ILE A 91 11.489 -3.089 -8.793 1.00 0.00 C ATOM 24 C ILE A 91 11.788 -3.556 -10.217 1.00 0.00 C ATOM 25 O ILE A 91 12.304 -4.654 -10.408 1.00 0.00 O ATOM 26 CB ILE A 91 12.787 -2.802 -7.992 1.00 0.00 C ATOM 27 CG1 ILE A 91 12.832 -1.322 -7.571 1.00 0.00 C ATOM 28 CG2 ILE A 91 14.037 -3.157 -8.812 1.00 0.00 C ATOM 29 CD1 ILE A 91 13.076 -0.416 -8.784 1.00 0.00 C ATOM 0 H ILE A 91 10.817 -5.048 -8.511 1.00 0.00 H new ATOM 0 HA ILE A 91 10.923 -2.160 -8.855 1.00 0.00 H new ATOM 0 HB ILE A 91 12.780 -3.429 -7.100 1.00 0.00 H new ATOM 0 HG12 ILE A 91 11.893 -1.048 -7.090 1.00 0.00 H new ATOM 0 HG13 ILE A 91 13.622 -1.173 -6.835 1.00 0.00 H new ATOM 0 HG21 ILE A 91 14.930 -2.945 -8.224 1.00 0.00 H new ATOM 0 HG22 ILE A 91 14.015 -4.216 -9.069 1.00 0.00 H new ATOM 0 HG23 ILE A 91 14.054 -2.562 -9.725 1.00 0.00 H new ATOM 0 HD11 ILE A 91 13.104 0.625 -8.461 1.00 0.00 H new ATOM 0 HD12 ILE A 91 14.027 -0.677 -9.248 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.271 -0.550 -9.506 1.00 0.00 H new ATOM 41 N LYS A 92 11.459 -2.714 -11.212 1.00 0.00 N ATOM 42 CA LYS A 92 11.694 -3.021 -12.625 1.00 0.00 C ATOM 43 C LYS A 92 11.272 -4.464 -12.936 1.00 0.00 C ATOM 44 O LYS A 92 11.912 -5.156 -13.731 1.00 0.00 O ATOM 45 CB LYS A 92 13.174 -2.780 -12.944 1.00 0.00 C ATOM 46 CG LYS A 92 13.373 -2.565 -14.452 1.00 0.00 C ATOM 47 CD LYS A 92 13.090 -1.103 -14.816 1.00 0.00 C ATOM 48 CE LYS A 92 13.352 -0.887 -16.309 1.00 0.00 C ATOM 49 NZ LYS A 92 13.105 0.515 -16.694 1.00 0.00 N ATOM 0 H LYS A 92 11.024 -1.805 -11.055 1.00 0.00 H new ATOM 0 HA LYS A 92 11.090 -2.368 -13.256 1.00 0.00 H new ATOM 0 HB2 LYS A 92 13.533 -1.908 -12.396 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.767 -3.632 -12.611 1.00 0.00 H new ATOM 0 HG2 LYS A 92 14.393 -2.827 -14.733 1.00 0.00 H new ATOM 0 HG3 LYS A 92 12.708 -3.223 -15.012 1.00 0.00 H new ATOM 0 HD2 LYS A 92 12.057 -0.852 -14.577 1.00 0.00 H new ATOM 0 HD3 LYS A 92 13.724 -0.441 -14.226 1.00 0.00 H new ATOM 0 HE2 LYS A 92 14.382 -1.156 -16.543 1.00 0.00 H new ATOM 0 HE3 LYS A 92 12.710 -1.546 -16.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 13.290 0.634 -17.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.115 0.761 -16.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 13.735 1.140 -16.152 1.00 0.00 H new ATOM 63 N GLY A 93 10.184 -4.902 -12.297 1.00 0.00 N ATOM 64 CA GLY A 93 9.635 -6.233 -12.488 1.00 0.00 C ATOM 65 C GLY A 93 10.612 -7.325 -12.038 1.00 0.00 C ATOM 66 O GLY A 93 11.658 -7.031 -11.463 1.00 0.00 O ATOM 0 H GLY A 93 9.661 -4.334 -11.630 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.704 -6.325 -11.928 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.390 -6.377 -13.540 1.00 0.00 H new ATOM 70 N PRO A 94 10.261 -8.601 -12.298 1.00 0.00 N ATOM 71 CA PRO A 94 11.081 -9.742 -11.935 1.00 0.00 C ATOM 72 C PRO A 94 12.251 -9.896 -12.913 1.00 0.00 C ATOM 73 O PRO A 94 12.419 -10.940 -13.544 1.00 0.00 O ATOM 74 CB PRO A 94 10.130 -10.935 -11.985 1.00 0.00 C ATOM 75 CG PRO A 94 8.925 -10.492 -12.825 1.00 0.00 C ATOM 76 CD PRO A 94 9.022 -8.969 -12.951 1.00 0.00 C ATOM 0 HA PRO A 94 11.535 -9.640 -10.950 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.617 -11.802 -12.431 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.818 -11.226 -10.982 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.941 -10.965 -13.807 1.00 0.00 H new ATOM 0 HG3 PRO A 94 7.990 -10.783 -12.347 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.024 -8.662 -13.997 1.00 0.00 H new ATOM 0 HD3 PRO A 94 8.170 -8.482 -12.477 1.00 0.00 H new ATOM 84 N TRP A 95 13.052 -8.836 -13.020 1.00 0.00 N ATOM 85 CA TRP A 95 14.219 -8.789 -13.900 1.00 0.00 C ATOM 86 C TRP A 95 13.814 -8.978 -15.367 1.00 0.00 C ATOM 87 O TRP A 95 12.649 -9.227 -15.675 1.00 0.00 O ATOM 88 CB TRP A 95 15.249 -9.828 -13.447 1.00 0.00 C ATOM 89 CG TRP A 95 16.188 -9.326 -12.399 1.00 0.00 C ATOM 90 CD1 TRP A 95 15.892 -9.131 -11.103 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.582 -8.938 -12.538 1.00 0.00 C ATOM 92 NE1 TRP A 95 16.979 -8.648 -10.416 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.064 -8.504 -11.261 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.497 -8.909 -13.610 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.374 -8.058 -11.068 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.814 -8.456 -13.423 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.252 -8.026 -12.155 1.00 0.00 C ATOM 0 H TRP A 95 12.907 -7.976 -12.492 1.00 0.00 H new ATOM 0 HA TRP A 95 14.679 -7.804 -13.830 1.00 0.00 H new ATOM 0 HB2 TRP A 95 14.725 -10.703 -13.063 1.00 0.00 H new ATOM 0 HB3 TRP A 95 15.826 -10.156 -14.312 1.00 0.00 H new ATOM 0 HD1 TRP A 95 14.927 -9.328 -10.660 1.00 0.00 H new ATOM 0 HE1 TRP A 95 16.985 -8.426 -9.420 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.181 -9.240 -14.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.704 -7.741 -10.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.497 -8.437 -14.259 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.264 -7.672 -12.023 1.00 0.00 H new ATOM 108 N THR A 96 14.793 -8.837 -16.273 1.00 0.00 N ATOM 109 CA THR A 96 14.556 -8.952 -17.705 1.00 0.00 C ATOM 110 C THR A 96 15.722 -9.686 -18.354 1.00 0.00 C ATOM 111 O THR A 96 16.825 -9.695 -17.814 1.00 0.00 O ATOM 112 CB THR A 96 14.412 -7.549 -18.320 1.00 0.00 C ATOM 113 OG1 THR A 96 15.667 -6.901 -18.315 1.00 0.00 O ATOM 114 CG2 THR A 96 13.412 -6.713 -17.518 1.00 0.00 C ATOM 0 H THR A 96 15.763 -8.641 -16.027 1.00 0.00 H new ATOM 0 HA THR A 96 13.637 -9.512 -17.879 1.00 0.00 H new ATOM 0 HB THR A 96 14.049 -7.652 -19.343 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.576 -6.008 -18.708 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.322 -5.724 -17.967 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.439 -7.204 -17.525 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.762 -6.615 -16.490 1.00 0.00 H new ATOM 122 N LYS A 97 15.477 -10.293 -19.522 1.00 0.00 N ATOM 123 CA LYS A 97 16.515 -11.002 -20.256 1.00 0.00 C ATOM 124 C LYS A 97 17.666 -10.041 -20.571 1.00 0.00 C ATOM 125 O LYS A 97 18.828 -10.438 -20.564 1.00 0.00 O ATOM 126 CB LYS A 97 15.912 -11.580 -21.544 1.00 0.00 C ATOM 127 CG LYS A 97 16.868 -12.611 -22.167 1.00 0.00 C ATOM 128 CD LYS A 97 16.698 -13.978 -21.484 1.00 0.00 C ATOM 129 CE LYS A 97 15.511 -14.737 -22.094 1.00 0.00 C ATOM 130 NZ LYS A 97 15.833 -15.247 -23.441 1.00 0.00 N ATOM 0 H LYS A 97 14.563 -10.303 -19.975 1.00 0.00 H new ATOM 0 HA LYS A 97 16.909 -11.822 -19.656 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.953 -12.049 -21.325 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.719 -10.777 -22.255 1.00 0.00 H new ATOM 0 HG2 LYS A 97 16.669 -12.703 -23.235 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.898 -12.271 -22.063 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.610 -14.564 -21.598 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.539 -13.840 -20.415 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.236 -15.568 -21.445 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.645 -14.077 -22.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.137 -15.970 -23.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.805 -14.464 -24.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.784 -15.668 -23.435 1.00 0.00 H new ATOM 144 N GLU A 98 17.331 -8.772 -20.843 1.00 0.00 N ATOM 145 CA GLU A 98 18.319 -7.751 -21.147 1.00 0.00 C ATOM 146 C GLU A 98 19.236 -7.541 -19.940 1.00 0.00 C ATOM 147 O GLU A 98 20.457 -7.618 -20.065 1.00 0.00 O ATOM 148 CB GLU A 98 17.593 -6.450 -21.509 1.00 0.00 C ATOM 149 CG GLU A 98 18.601 -5.397 -21.980 1.00 0.00 C ATOM 150 CD GLU A 98 17.999 -4.003 -21.893 1.00 0.00 C ATOM 151 OE1 GLU A 98 17.145 -3.698 -22.749 1.00 0.00 O ATOM 152 OE2 GLU A 98 18.408 -3.267 -20.966 1.00 0.00 O ATOM 0 H GLU A 98 16.369 -8.435 -20.856 1.00 0.00 H new ATOM 0 HA GLU A 98 18.933 -8.065 -21.991 1.00 0.00 H new ATOM 0 HB2 GLU A 98 16.860 -6.640 -22.293 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.044 -6.078 -20.644 1.00 0.00 H new ATOM 0 HG2 GLU A 98 19.502 -5.449 -21.368 1.00 0.00 H new ATOM 0 HG3 GLU A 98 18.901 -5.606 -23.007 1.00 0.00 H new ATOM 159 N GLU A 99 18.642 -7.268 -18.773 1.00 0.00 N ATOM 160 CA GLU A 99 19.404 -7.028 -17.558 1.00 0.00 C ATOM 161 C GLU A 99 20.229 -8.271 -17.203 1.00 0.00 C ATOM 162 O GLU A 99 21.385 -8.151 -16.806 1.00 0.00 O ATOM 163 CB GLU A 99 18.444 -6.649 -16.425 1.00 0.00 C ATOM 164 CG GLU A 99 19.207 -5.930 -15.306 1.00 0.00 C ATOM 165 CD GLU A 99 19.271 -4.430 -15.565 1.00 0.00 C ATOM 166 OE1 GLU A 99 20.109 -4.030 -16.408 1.00 0.00 O ATOM 167 OE2 GLU A 99 18.479 -3.712 -14.915 1.00 0.00 O ATOM 0 H GLU A 99 17.631 -7.209 -18.652 1.00 0.00 H new ATOM 0 HA GLU A 99 20.099 -6.202 -17.711 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.653 -6.005 -16.808 1.00 0.00 H new ATOM 0 HB3 GLU A 99 17.963 -7.544 -16.031 1.00 0.00 H new ATOM 0 HG2 GLU A 99 18.719 -6.117 -14.350 1.00 0.00 H new ATOM 0 HG3 GLU A 99 20.217 -6.333 -15.232 1.00 0.00 H new ATOM 174 N ASP A 100 19.642 -9.466 -17.356 1.00 0.00 N ATOM 175 CA ASP A 100 20.351 -10.709 -17.077 1.00 0.00 C ATOM 176 C ASP A 100 21.574 -10.809 -17.990 1.00 0.00 C ATOM 177 O ASP A 100 22.675 -11.078 -17.521 1.00 0.00 O ATOM 178 CB ASP A 100 19.411 -11.904 -17.275 1.00 0.00 C ATOM 179 CG ASP A 100 18.649 -12.209 -15.999 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.258 -12.828 -15.104 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.467 -11.816 -15.937 1.00 0.00 O ATOM 0 H ASP A 100 18.680 -9.591 -17.671 1.00 0.00 H new ATOM 0 HA ASP A 100 20.690 -10.718 -16.041 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.709 -11.690 -18.081 1.00 0.00 H new ATOM 0 HB3 ASP A 100 19.987 -12.779 -17.578 1.00 0.00 H new ATOM 186 N GLN A 101 21.383 -10.577 -19.295 1.00 0.00 N ATOM 187 CA GLN A 101 22.479 -10.594 -20.254 1.00 0.00 C ATOM 188 C GLN A 101 23.551 -9.591 -19.821 1.00 0.00 C ATOM 189 O GLN A 101 24.746 -9.873 -19.914 1.00 0.00 O ATOM 190 CB GLN A 101 21.940 -10.258 -21.652 1.00 0.00 C ATOM 191 CG GLN A 101 23.050 -10.410 -22.701 1.00 0.00 C ATOM 192 CD GLN A 101 23.563 -11.846 -22.760 1.00 0.00 C ATOM 193 OE1 GLN A 101 24.708 -12.114 -22.410 1.00 0.00 O ATOM 194 NE2 GLN A 101 22.711 -12.770 -23.204 1.00 0.00 N ATOM 0 H GLN A 101 20.472 -10.375 -19.706 1.00 0.00 H new ATOM 0 HA GLN A 101 22.930 -11.586 -20.289 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.107 -10.917 -21.896 1.00 0.00 H new ATOM 0 HB3 GLN A 101 21.555 -9.238 -21.665 1.00 0.00 H new ATOM 0 HG2 GLN A 101 22.671 -10.116 -23.680 1.00 0.00 H new ATOM 0 HG3 GLN A 101 23.873 -9.737 -22.463 1.00 0.00 H new ATOM 0 HE21 GLN A 101 21.768 -12.501 -23.484 1.00 0.00 H new ATOM 0 HE22 GLN A 101 23.002 -13.746 -23.263 1.00 0.00 H new ATOM 203 N ARG A 102 23.118 -8.422 -19.341 1.00 0.00 N ATOM 204 CA ARG A 102 24.031 -7.395 -18.876 1.00 0.00 C ATOM 205 C ARG A 102 24.858 -7.935 -17.702 1.00 0.00 C ATOM 206 O ARG A 102 26.069 -7.735 -17.659 1.00 0.00 O ATOM 207 CB ARG A 102 23.226 -6.151 -18.479 1.00 0.00 C ATOM 208 CG ARG A 102 24.132 -4.919 -18.469 1.00 0.00 C ATOM 209 CD ARG A 102 23.275 -3.656 -18.334 1.00 0.00 C ATOM 210 NE ARG A 102 22.736 -3.248 -19.644 1.00 0.00 N ATOM 211 CZ ARG A 102 21.419 -3.214 -19.959 1.00 0.00 C ATOM 212 NH1 ARG A 102 20.468 -3.549 -19.072 1.00 0.00 N ATOM 213 NH2 ARG A 102 21.053 -2.834 -21.187 1.00 0.00 N ATOM 0 H ARG A 102 22.132 -8.170 -19.267 1.00 0.00 H new ATOM 0 HA ARG A 102 24.724 -7.114 -19.669 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.404 -6.002 -19.179 1.00 0.00 H new ATOM 0 HB3 ARG A 102 22.783 -6.294 -17.493 1.00 0.00 H new ATOM 0 HG2 ARG A 102 24.840 -4.981 -17.642 1.00 0.00 H new ATOM 0 HG3 ARG A 102 24.718 -4.878 -19.387 1.00 0.00 H new ATOM 0 HD2 ARG A 102 22.455 -3.840 -17.639 1.00 0.00 H new ATOM 0 HD3 ARG A 102 23.874 -2.848 -17.914 1.00 0.00 H new ATOM 0 HE ARG A 102 23.403 -2.971 -20.365 1.00 0.00 H new ATOM 0 HH11 ARG A 102 20.729 -3.840 -18.130 1.00 0.00 H new ATOM 0 HH12 ARG A 102 19.485 -3.513 -19.341 1.00 0.00 H new ATOM 0 HH21 ARG A 102 21.762 -2.574 -21.873 1.00 0.00 H new ATOM 0 HH22 ARG A 102 20.065 -2.804 -21.438 1.00 0.00 H new ATOM 227 N VAL A 103 24.204 -8.630 -16.755 1.00 0.00 N ATOM 228 CA VAL A 103 24.896 -9.214 -15.609 1.00 0.00 C ATOM 229 C VAL A 103 25.906 -10.249 -16.093 1.00 0.00 C ATOM 230 O VAL A 103 27.042 -10.248 -15.642 1.00 0.00 O ATOM 231 CB VAL A 103 23.886 -9.856 -14.643 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.611 -10.783 -13.662 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.172 -8.771 -13.849 1.00 0.00 C ATOM 0 H VAL A 103 23.198 -8.797 -16.767 1.00 0.00 H new ATOM 0 HA VAL A 103 25.426 -8.426 -15.073 1.00 0.00 H new ATOM 0 HB VAL A 103 23.165 -10.429 -15.226 1.00 0.00 H new ATOM 0 HG11 VAL A 103 23.886 -11.232 -12.983 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.125 -11.569 -14.216 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.338 -10.208 -13.088 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.457 -9.230 -13.166 1.00 0.00 H new ATOM 0 HG22 VAL A 103 23.902 -8.198 -13.278 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.644 -8.107 -14.533 1.00 0.00 H new ATOM 243 N ILE A 104 25.486 -11.135 -17.009 1.00 0.00 N ATOM 244 CA ILE A 104 26.365 -12.171 -17.541 1.00 0.00 C ATOM 245 C ILE A 104 27.662 -11.533 -18.034 1.00 0.00 C ATOM 246 O ILE A 104 28.750 -11.955 -17.642 1.00 0.00 O ATOM 247 CB ILE A 104 25.650 -12.927 -18.679 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.536 -13.812 -18.099 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.659 -13.804 -19.437 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.639 -14.342 -19.221 1.00 0.00 C ATOM 0 H ILE A 104 24.541 -11.149 -17.393 1.00 0.00 H new ATOM 0 HA ILE A 104 26.609 -12.888 -16.758 1.00 0.00 H new ATOM 0 HB ILE A 104 25.214 -12.202 -19.366 1.00 0.00 H new ATOM 0 HG12 ILE A 104 24.974 -14.646 -17.550 1.00 0.00 H new ATOM 0 HG13 ILE A 104 23.940 -13.239 -17.388 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.148 -14.336 -20.240 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.442 -13.175 -19.860 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.103 -14.524 -18.750 1.00 0.00 H new ATOM 0 HD11 ILE A 104 22.854 -14.967 -18.795 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.187 -13.504 -19.752 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.236 -14.932 -19.916 1.00 0.00 H new ATOM 262 N GLU A 105 27.544 -10.516 -18.893 1.00 0.00 N ATOM 263 CA GLU A 105 28.704 -9.835 -19.441 1.00 0.00 C ATOM 264 C GLU A 105 29.539 -9.215 -18.318 1.00 0.00 C ATOM 265 O GLU A 105 30.733 -9.478 -18.224 1.00 0.00 O ATOM 266 CB GLU A 105 28.239 -8.756 -20.425 1.00 0.00 C ATOM 267 CG GLU A 105 29.446 -8.200 -21.193 1.00 0.00 C ATOM 268 CD GLU A 105 29.126 -6.848 -21.816 1.00 0.00 C ATOM 269 OE1 GLU A 105 27.960 -6.670 -22.227 1.00 0.00 O ATOM 270 OE2 GLU A 105 30.060 -6.016 -21.868 1.00 0.00 O ATOM 0 H GLU A 105 26.650 -10.151 -19.220 1.00 0.00 H new ATOM 0 HA GLU A 105 29.330 -10.555 -19.968 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.514 -9.175 -21.123 1.00 0.00 H new ATOM 0 HB3 GLU A 105 27.737 -7.952 -19.887 1.00 0.00 H new ATOM 0 HG2 GLU A 105 30.296 -8.100 -20.518 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.739 -8.903 -21.973 1.00 0.00 H new ATOM 277 N LEU A 106 28.908 -8.382 -17.477 1.00 0.00 N ATOM 278 CA LEU A 106 29.602 -7.685 -16.397 1.00 0.00 C ATOM 279 C LEU A 106 30.375 -8.664 -15.510 1.00 0.00 C ATOM 280 O LEU A 106 31.534 -8.421 -15.200 1.00 0.00 O ATOM 281 CB LEU A 106 28.589 -6.891 -15.563 1.00 0.00 C ATOM 282 CG LEU A 106 28.105 -5.653 -16.339 1.00 0.00 C ATOM 283 CD1 LEU A 106 26.925 -5.024 -15.597 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.236 -4.624 -16.451 1.00 0.00 C ATOM 0 H LEU A 106 27.910 -8.177 -17.530 1.00 0.00 H new ATOM 0 HA LEU A 106 30.325 -6.998 -16.837 1.00 0.00 H new ATOM 0 HB2 LEU A 106 27.739 -7.525 -15.312 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.045 -6.583 -14.622 1.00 0.00 H new ATOM 0 HG LEU A 106 27.799 -5.957 -17.340 1.00 0.00 H new ATOM 0 HD11 LEU A 106 26.578 -4.146 -16.143 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.114 -5.749 -15.522 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.240 -4.728 -14.596 1.00 0.00 H new ATOM 0 HD21 LEU A 106 28.882 -3.753 -17.002 1.00 0.00 H new ATOM 0 HD22 LEU A 106 29.551 -4.319 -15.453 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.081 -5.068 -16.978 1.00 0.00 H new ATOM 296 N VAL A 107 29.739 -9.764 -15.099 1.00 0.00 N ATOM 297 CA VAL A 107 30.383 -10.752 -14.240 1.00 0.00 C ATOM 298 C VAL A 107 31.571 -11.383 -14.964 1.00 0.00 C ATOM 299 O VAL A 107 32.605 -11.627 -14.353 1.00 0.00 O ATOM 300 CB VAL A 107 29.361 -11.823 -13.825 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.085 -13.037 -13.230 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.413 -11.243 -12.772 1.00 0.00 C ATOM 0 H VAL A 107 28.777 -9.990 -15.350 1.00 0.00 H new ATOM 0 HA VAL A 107 30.756 -10.261 -13.341 1.00 0.00 H new ATOM 0 HB VAL A 107 28.796 -12.133 -14.704 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.353 -13.790 -12.939 1.00 0.00 H new ATOM 0 HG12 VAL A 107 30.762 -13.457 -13.974 1.00 0.00 H new ATOM 0 HG13 VAL A 107 30.655 -12.727 -12.354 1.00 0.00 H new ATOM 0 HG21 VAL A 107 27.688 -12.002 -12.477 1.00 0.00 H new ATOM 0 HG22 VAL A 107 28.986 -10.930 -11.899 1.00 0.00 H new ATOM 0 HG23 VAL A 107 27.889 -10.383 -13.189 1.00 0.00 H new ATOM 312 N GLN A 108 31.427 -11.647 -16.264 1.00 0.00 N ATOM 313 CA GLN A 108 32.492 -12.260 -17.041 1.00 0.00 C ATOM 314 C GLN A 108 33.632 -11.257 -17.233 1.00 0.00 C ATOM 315 O GLN A 108 34.791 -11.645 -17.364 1.00 0.00 O ATOM 316 CB GLN A 108 31.923 -12.728 -18.382 1.00 0.00 C ATOM 317 CG GLN A 108 32.859 -13.758 -19.020 1.00 0.00 C ATOM 318 CD GLN A 108 32.134 -14.532 -20.114 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.412 -14.350 -21.297 1.00 0.00 O ATOM 320 NE2 GLN A 108 31.200 -15.398 -19.717 1.00 0.00 N ATOM 0 H GLN A 108 30.581 -11.444 -16.796 1.00 0.00 H new ATOM 0 HA GLN A 108 32.896 -13.126 -16.516 1.00 0.00 H new ATOM 0 HB2 GLN A 108 30.935 -13.165 -18.234 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.798 -11.876 -19.050 1.00 0.00 H new ATOM 0 HG2 GLN A 108 33.731 -13.256 -19.439 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.223 -14.448 -18.259 1.00 0.00 H new ATOM 0 HE21 GLN A 108 31.003 -15.516 -18.723 1.00 0.00 H new ATOM 0 HE22 GLN A 108 30.683 -15.942 -20.407 1.00 0.00 H new ATOM 329 N LYS A 109 33.289 -9.966 -17.243 1.00 0.00 N ATOM 330 CA LYS A 109 34.258 -8.896 -17.396 1.00 0.00 C ATOM 331 C LYS A 109 35.049 -8.722 -16.096 1.00 0.00 C ATOM 332 O LYS A 109 36.277 -8.705 -16.112 1.00 0.00 O ATOM 333 CB LYS A 109 33.509 -7.602 -17.751 1.00 0.00 C ATOM 334 CG LYS A 109 33.981 -7.075 -19.107 1.00 0.00 C ATOM 335 CD LYS A 109 33.229 -5.780 -19.438 1.00 0.00 C ATOM 336 CE LYS A 109 33.514 -5.362 -20.885 1.00 0.00 C ATOM 337 NZ LYS A 109 32.760 -6.196 -21.840 1.00 0.00 N ATOM 0 H LYS A 109 32.327 -9.641 -17.144 1.00 0.00 H new ATOM 0 HA LYS A 109 34.962 -9.137 -18.193 1.00 0.00 H new ATOM 0 HB2 LYS A 109 32.436 -7.790 -17.779 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.681 -6.850 -16.980 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.055 -6.890 -19.084 1.00 0.00 H new ATOM 0 HG3 LYS A 109 33.803 -7.821 -19.882 1.00 0.00 H new ATOM 0 HD2 LYS A 109 32.158 -5.926 -19.297 1.00 0.00 H new ATOM 0 HD3 LYS A 109 33.535 -4.988 -18.755 1.00 0.00 H new ATOM 0 HE2 LYS A 109 33.246 -4.314 -21.023 1.00 0.00 H new ATOM 0 HE3 LYS A 109 34.582 -5.448 -21.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 32.892 -5.827 -22.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 33.106 -7.176 -21.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 31.749 -6.174 -21.597 1.00 0.00 H new ATOM 351 N TYR A 110 34.329 -8.587 -14.975 1.00 0.00 N ATOM 352 CA TYR A 110 34.936 -8.393 -13.667 1.00 0.00 C ATOM 353 C TYR A 110 35.117 -9.739 -12.968 1.00 0.00 C ATOM 354 O TYR A 110 36.206 -10.311 -12.991 1.00 0.00 O ATOM 355 CB TYR A 110 34.037 -7.469 -12.832 1.00 0.00 C ATOM 356 CG TYR A 110 34.015 -6.038 -13.321 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.150 -5.222 -13.163 1.00 0.00 C ATOM 358 CD2 TYR A 110 32.856 -5.518 -13.923 1.00 0.00 C ATOM 359 CE1 TYR A 110 35.123 -3.889 -13.605 1.00 0.00 C ATOM 360 CE2 TYR A 110 32.831 -4.187 -14.364 1.00 0.00 C ATOM 361 CZ TYR A 110 33.963 -3.371 -14.203 1.00 0.00 C ATOM 362 OH TYR A 110 33.933 -2.074 -14.621 1.00 0.00 O ATOM 0 H TYR A 110 33.309 -8.610 -14.957 1.00 0.00 H new ATOM 0 HA TYR A 110 35.918 -7.934 -13.781 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.020 -7.862 -12.840 1.00 0.00 H new ATOM 0 HB3 TYR A 110 34.377 -7.485 -11.796 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.042 -5.620 -12.702 1.00 0.00 H new ATOM 0 HD2 TYR A 110 31.984 -6.144 -14.046 1.00 0.00 H new ATOM 0 HE1 TYR A 110 35.994 -3.263 -13.485 1.00 0.00 H new ATOM 0 HE2 TYR A 110 31.941 -3.789 -14.828 1.00 0.00 H new ATOM 0 HH TYR A 110 33.101 -1.653 -14.321 1.00 0.00 H new ATOM 372 N GLY A 111 34.044 -10.233 -12.339 1.00 0.00 N ATOM 373 CA GLY A 111 34.066 -11.489 -11.609 1.00 0.00 C ATOM 374 C GLY A 111 33.134 -11.387 -10.402 1.00 0.00 C ATOM 375 O GLY A 111 32.697 -10.290 -10.053 1.00 0.00 O ATOM 0 H GLY A 111 33.138 -9.765 -12.327 1.00 0.00 H new ATOM 0 HA2 GLY A 111 33.751 -12.306 -12.258 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.081 -11.715 -11.282 1.00 0.00 H new ATOM 379 N PRO A 112 32.825 -12.526 -9.758 1.00 0.00 N ATOM 380 CA PRO A 112 31.977 -12.552 -8.585 1.00 0.00 C ATOM 381 C PRO A 112 32.643 -11.797 -7.431 1.00 0.00 C ATOM 382 O PRO A 112 33.814 -11.434 -7.520 1.00 0.00 O ATOM 383 CB PRO A 112 31.784 -14.035 -8.247 1.00 0.00 C ATOM 384 CG PRO A 112 32.737 -14.823 -9.154 1.00 0.00 C ATOM 385 CD PRO A 112 33.306 -13.827 -10.165 1.00 0.00 C ATOM 0 HA PRO A 112 31.019 -12.063 -8.760 1.00 0.00 H new ATOM 0 HB2 PRO A 112 32.005 -14.224 -7.197 1.00 0.00 H new ATOM 0 HB3 PRO A 112 30.751 -14.339 -8.415 1.00 0.00 H new ATOM 0 HG2 PRO A 112 33.536 -15.281 -8.571 1.00 0.00 H new ATOM 0 HG3 PRO A 112 32.209 -15.630 -9.661 1.00 0.00 H new ATOM 0 HD2 PRO A 112 34.396 -13.856 -10.170 1.00 0.00 H new ATOM 0 HD3 PRO A 112 32.976 -14.066 -11.176 1.00 0.00 H new ATOM 393 N LYS A 113 31.882 -11.566 -6.350 1.00 0.00 N ATOM 394 CA LYS A 113 32.370 -10.858 -5.163 1.00 0.00 C ATOM 395 C LYS A 113 32.722 -9.403 -5.503 1.00 0.00 C ATOM 396 O LYS A 113 33.524 -8.781 -4.809 1.00 0.00 O ATOM 397 CB LYS A 113 33.590 -11.582 -4.562 1.00 0.00 C ATOM 398 CG LYS A 113 33.257 -13.047 -4.241 1.00 0.00 C ATOM 399 CD LYS A 113 32.349 -13.122 -3.008 1.00 0.00 C ATOM 400 CE LYS A 113 32.228 -14.578 -2.549 1.00 0.00 C ATOM 401 NZ LYS A 113 31.437 -14.679 -1.308 1.00 0.00 N ATOM 0 H LYS A 113 30.910 -11.867 -6.277 1.00 0.00 H new ATOM 0 HA LYS A 113 31.573 -10.852 -4.420 1.00 0.00 H new ATOM 0 HB2 LYS A 113 34.424 -11.540 -5.263 1.00 0.00 H new ATOM 0 HB3 LYS A 113 33.910 -11.071 -3.654 1.00 0.00 H new ATOM 0 HG2 LYS A 113 32.763 -13.512 -5.095 1.00 0.00 H new ATOM 0 HG3 LYS A 113 34.175 -13.606 -4.061 1.00 0.00 H new ATOM 0 HD2 LYS A 113 32.758 -12.509 -2.205 1.00 0.00 H new ATOM 0 HD3 LYS A 113 31.363 -12.721 -3.244 1.00 0.00 H new ATOM 0 HE2 LYS A 113 31.758 -15.172 -3.333 1.00 0.00 H new ATOM 0 HE3 LYS A 113 33.222 -14.995 -2.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 31.370 -15.676 -1.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 31.900 -14.130 -0.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 30.482 -14.302 -1.473 1.00 0.00 H new ATOM 415 N ARG A 114 32.111 -8.866 -6.566 1.00 0.00 N ATOM 416 CA ARG A 114 32.325 -7.481 -6.984 1.00 0.00 C ATOM 417 C ARG A 114 30.971 -6.858 -7.313 1.00 0.00 C ATOM 418 O ARG A 114 30.843 -6.087 -8.266 1.00 0.00 O ATOM 419 CB ARG A 114 33.255 -7.441 -8.204 1.00 0.00 C ATOM 420 CG ARG A 114 34.625 -8.027 -7.845 1.00 0.00 C ATOM 421 CD ARG A 114 35.508 -8.065 -9.092 1.00 0.00 C ATOM 422 NE ARG A 114 36.778 -8.746 -8.812 1.00 0.00 N ATOM 423 CZ ARG A 114 37.704 -8.987 -9.757 1.00 0.00 C ATOM 424 NH1 ARG A 114 37.525 -8.535 -11.005 1.00 0.00 N ATOM 425 NH2 ARG A 114 38.807 -9.680 -9.448 1.00 0.00 N ATOM 0 H ARG A 114 31.457 -9.380 -7.157 1.00 0.00 H new ATOM 0 HA ARG A 114 32.798 -6.914 -6.182 1.00 0.00 H new ATOM 0 HB2 ARG A 114 32.814 -8.006 -9.025 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.370 -6.414 -8.549 1.00 0.00 H new ATOM 0 HG2 ARG A 114 35.098 -7.424 -7.070 1.00 0.00 H new ATOM 0 HG3 ARG A 114 34.507 -9.032 -7.439 1.00 0.00 H new ATOM 0 HD2 ARG A 114 34.985 -8.579 -9.898 1.00 0.00 H new ATOM 0 HD3 ARG A 114 35.703 -7.049 -9.436 1.00 0.00 H new ATOM 0 HE ARG A 114 36.967 -9.050 -7.857 1.00 0.00 H new ATOM 0 HH11 ARG A 114 36.685 -8.007 -11.240 1.00 0.00 H new ATOM 0 HH12 ARG A 114 38.229 -8.719 -11.720 1.00 0.00 H new ATOM 0 HH21 ARG A 114 38.944 -10.024 -8.498 1.00 0.00 H new ATOM 0 HH22 ARG A 114 39.511 -9.864 -10.163 1.00 0.00 H new ATOM 439 N TRP A 115 29.958 -7.208 -6.516 1.00 0.00 N ATOM 440 CA TRP A 115 28.601 -6.734 -6.720 1.00 0.00 C ATOM 441 C TRP A 115 28.514 -5.226 -6.512 1.00 0.00 C ATOM 442 O TRP A 115 27.592 -4.594 -7.009 1.00 0.00 O ATOM 443 CB TRP A 115 27.673 -7.502 -5.783 1.00 0.00 C ATOM 444 CG TRP A 115 27.749 -8.981 -5.989 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.161 -9.885 -5.086 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.452 -9.745 -7.194 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.158 -11.152 -5.622 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.729 -11.124 -6.938 1.00 0.00 C ATOM 449 CE3 TRP A 115 26.985 -9.416 -8.489 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.563 -12.113 -7.911 1.00 0.00 C ATOM 451 CZ3 TRP A 115 26.811 -10.412 -9.470 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.108 -11.751 -9.185 1.00 0.00 C ATOM 0 H TRP A 115 30.063 -7.828 -5.713 1.00 0.00 H new ATOM 0 HA TRP A 115 28.290 -6.918 -7.748 1.00 0.00 H new ATOM 0 HB2 TRP A 115 27.930 -7.268 -4.750 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.647 -7.169 -5.939 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.455 -9.649 -4.074 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.434 -11.996 -5.119 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.759 -8.387 -8.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 27.783 -13.145 -7.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.446 -10.141 -10.450 1.00 0.00 H new ATOM 0 HH2 TRP A 115 26.986 -12.505 -9.949 1.00 0.00 H new ATOM 463 N SER A 116 29.481 -4.645 -5.796 1.00 0.00 N ATOM 464 CA SER A 116 29.525 -3.209 -5.592 1.00 0.00 C ATOM 465 C SER A 116 29.812 -2.521 -6.930 1.00 0.00 C ATOM 466 O SER A 116 29.183 -1.520 -7.265 1.00 0.00 O ATOM 467 CB SER A 116 30.607 -2.881 -4.561 1.00 0.00 C ATOM 468 OG SER A 116 31.808 -3.545 -4.903 1.00 0.00 O ATOM 0 H SER A 116 30.243 -5.156 -5.350 1.00 0.00 H new ATOM 0 HA SER A 116 28.568 -2.848 -5.215 1.00 0.00 H new ATOM 0 HB2 SER A 116 30.773 -1.804 -4.524 1.00 0.00 H new ATOM 0 HB3 SER A 116 30.281 -3.188 -3.567 1.00 0.00 H new ATOM 0 HG SER A 116 32.499 -3.332 -4.242 1.00 0.00 H new ATOM 474 N VAL A 117 30.764 -3.073 -7.694 1.00 0.00 N ATOM 475 CA VAL A 117 31.137 -2.530 -8.992 1.00 0.00 C ATOM 476 C VAL A 117 30.022 -2.805 -10.001 1.00 0.00 C ATOM 477 O VAL A 117 29.612 -1.909 -10.736 1.00 0.00 O ATOM 478 CB VAL A 117 32.460 -3.166 -9.448 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.846 -2.629 -10.829 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.570 -2.828 -8.446 1.00 0.00 C ATOM 0 H VAL A 117 31.291 -3.904 -7.425 1.00 0.00 H new ATOM 0 HA VAL A 117 31.276 -1.451 -8.920 1.00 0.00 H new ATOM 0 HB VAL A 117 32.333 -4.247 -9.501 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.784 -3.083 -11.147 1.00 0.00 H new ATOM 0 HG12 VAL A 117 32.063 -2.874 -11.547 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.966 -1.547 -10.778 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.506 -3.281 -8.773 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.691 -1.746 -8.388 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.303 -3.216 -7.463 1.00 0.00 H new ATOM 490 N ILE A 118 29.535 -4.049 -10.032 1.00 0.00 N ATOM 491 CA ILE A 118 28.476 -4.445 -10.950 1.00 0.00 C ATOM 492 C ILE A 118 27.224 -3.588 -10.706 1.00 0.00 C ATOM 493 O ILE A 118 26.586 -3.146 -11.659 1.00 0.00 O ATOM 494 CB ILE A 118 28.189 -5.946 -10.762 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.392 -6.764 -11.272 1.00 0.00 C ATOM 496 CG2 ILE A 118 26.931 -6.348 -11.542 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.427 -8.137 -10.599 1.00 0.00 C ATOM 0 H ILE A 118 29.864 -4.800 -9.425 1.00 0.00 H new ATOM 0 HA ILE A 118 28.786 -4.280 -11.982 1.00 0.00 H new ATOM 0 HB ILE A 118 28.028 -6.147 -9.703 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.326 -6.884 -12.353 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.318 -6.227 -11.066 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.740 -7.412 -11.400 1.00 0.00 H new ATOM 0 HG22 ILE A 118 26.079 -5.774 -11.178 1.00 0.00 H new ATOM 0 HG23 ILE A 118 27.080 -6.144 -12.602 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.282 -8.702 -10.970 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.516 -8.011 -9.520 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.508 -8.678 -10.827 1.00 0.00 H new ATOM 509 N ALA A 119 26.878 -3.351 -9.432 1.00 0.00 N ATOM 510 CA ALA A 119 25.706 -2.553 -9.080 1.00 0.00 C ATOM 511 C ALA A 119 25.869 -1.110 -9.562 1.00 0.00 C ATOM 512 O ALA A 119 24.913 -0.515 -10.053 1.00 0.00 O ATOM 513 CB ALA A 119 25.497 -2.587 -7.566 1.00 0.00 C ATOM 0 H ALA A 119 27.399 -3.704 -8.629 1.00 0.00 H new ATOM 0 HA ALA A 119 24.831 -2.978 -9.572 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.622 -1.991 -7.306 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.344 -3.617 -7.243 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.376 -2.178 -7.068 1.00 0.00 H new ATOM 519 N LYS A 120 27.080 -0.545 -9.423 1.00 0.00 N ATOM 520 CA LYS A 120 27.343 0.827 -9.853 1.00 0.00 C ATOM 521 C LYS A 120 27.020 0.990 -11.341 1.00 0.00 C ATOM 522 O LYS A 120 26.671 2.085 -11.779 1.00 0.00 O ATOM 523 CB LYS A 120 28.805 1.191 -9.571 1.00 0.00 C ATOM 524 CG LYS A 120 28.958 1.595 -8.100 1.00 0.00 C ATOM 525 CD LYS A 120 30.443 1.648 -7.718 1.00 0.00 C ATOM 526 CE LYS A 120 31.159 2.733 -8.530 1.00 0.00 C ATOM 527 NZ LYS A 120 32.537 2.934 -8.044 1.00 0.00 N ATOM 0 H LYS A 120 27.886 -1.020 -9.017 1.00 0.00 H new ATOM 0 HA LYS A 120 26.701 1.505 -9.290 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.452 0.343 -9.795 1.00 0.00 H new ATOM 0 HB3 LYS A 120 29.118 2.010 -10.218 1.00 0.00 H new ATOM 0 HG2 LYS A 120 28.497 2.568 -7.933 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.436 0.881 -7.463 1.00 0.00 H new ATOM 0 HD2 LYS A 120 30.545 1.854 -6.652 1.00 0.00 H new ATOM 0 HD3 LYS A 120 30.908 0.679 -7.901 1.00 0.00 H new ATOM 0 HE2 LYS A 120 31.178 2.451 -9.583 1.00 0.00 H new ATOM 0 HE3 LYS A 120 30.605 3.669 -8.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 33.000 3.673 -8.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 32.514 3.225 -7.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 33.070 2.045 -8.133 1.00 0.00 H new ATOM 541 N HIS A 121 27.129 -0.099 -12.113 1.00 0.00 N ATOM 542 CA HIS A 121 26.826 -0.071 -13.533 1.00 0.00 C ATOM 543 C HIS A 121 25.337 -0.327 -13.728 1.00 0.00 C ATOM 544 O HIS A 121 24.679 0.381 -14.491 1.00 0.00 O ATOM 545 CB HIS A 121 27.672 -1.124 -14.250 1.00 0.00 C ATOM 546 CG HIS A 121 29.142 -0.966 -13.960 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.739 0.276 -13.774 1.00 0.00 N ATOM 548 CD2 HIS A 121 30.157 -1.871 -13.806 1.00 0.00 C ATOM 549 CE1 HIS A 121 31.043 0.047 -13.529 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.367 -1.247 -13.536 1.00 0.00 N ATOM 0 H HIS A 121 27.427 -1.011 -11.767 1.00 0.00 H new ATOM 0 HA HIS A 121 27.066 0.904 -13.957 1.00 0.00 H new ATOM 0 HB2 HIS A 121 27.348 -2.119 -13.944 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.505 -1.051 -15.325 1.00 0.00 H new ATOM 0 HD1 HIS A 121 29.278 1.185 -13.815 1.00 0.00 H new ATOM 0 HD2 HIS A 121 30.032 -2.941 -13.885 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.758 0.835 -13.345 1.00 0.00 H new ATOM 558 N LEU A 122 24.804 -1.336 -13.027 1.00 0.00 N ATOM 559 CA LEU A 122 23.392 -1.664 -13.097 1.00 0.00 C ATOM 560 C LEU A 122 22.614 -0.719 -12.189 1.00 0.00 C ATOM 561 O LEU A 122 22.122 -1.126 -11.135 1.00 0.00 O ATOM 562 CB LEU A 122 23.176 -3.126 -12.683 1.00 0.00 C ATOM 563 CG LEU A 122 23.907 -4.070 -13.648 1.00 0.00 C ATOM 564 CD1 LEU A 122 23.599 -5.517 -13.275 1.00 0.00 C ATOM 565 CD2 LEU A 122 23.447 -3.817 -15.084 1.00 0.00 C ATOM 0 H LEU A 122 25.342 -1.938 -12.403 1.00 0.00 H new ATOM 0 HA LEU A 122 23.032 -1.545 -14.119 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.540 -3.280 -11.667 1.00 0.00 H new ATOM 0 HB3 LEU A 122 22.110 -3.355 -12.678 1.00 0.00 H new ATOM 0 HG LEU A 122 24.979 -3.886 -13.576 1.00 0.00 H new ATOM 0 HD11 LEU A 122 24.118 -6.188 -13.960 1.00 0.00 H new ATOM 0 HD12 LEU A 122 23.934 -5.709 -12.256 1.00 0.00 H new ATOM 0 HD13 LEU A 122 22.525 -5.689 -13.343 1.00 0.00 H new ATOM 0 HD21 LEU A 122 23.973 -4.493 -15.759 1.00 0.00 H new ATOM 0 HD22 LEU A 122 22.374 -3.992 -15.158 1.00 0.00 H new ATOM 0 HD23 LEU A 122 23.666 -2.786 -15.360 1.00 0.00 H new ATOM 577 N LYS A 123 22.506 0.550 -12.607 1.00 0.00 N ATOM 578 CA LYS A 123 21.794 1.567 -11.850 1.00 0.00 C ATOM 579 C LYS A 123 20.295 1.272 -11.884 1.00 0.00 C ATOM 580 O LYS A 123 19.547 1.890 -12.639 1.00 0.00 O ATOM 581 CB LYS A 123 22.101 2.948 -12.441 1.00 0.00 C ATOM 582 CG LYS A 123 23.599 3.244 -12.308 1.00 0.00 C ATOM 583 CD LYS A 123 23.895 4.651 -12.828 1.00 0.00 C ATOM 584 CE LYS A 123 25.400 4.918 -12.750 1.00 0.00 C ATOM 585 NZ LYS A 123 25.724 6.273 -13.233 1.00 0.00 N ATOM 0 H LYS A 123 22.912 0.891 -13.478 1.00 0.00 H new ATOM 0 HA LYS A 123 22.120 1.558 -10.810 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.806 2.979 -13.490 1.00 0.00 H new ATOM 0 HB3 LYS A 123 21.522 3.713 -11.924 1.00 0.00 H new ATOM 0 HG2 LYS A 123 23.905 3.160 -11.265 1.00 0.00 H new ATOM 0 HG3 LYS A 123 24.176 2.509 -12.870 1.00 0.00 H new ATOM 0 HD2 LYS A 123 23.550 4.750 -13.857 1.00 0.00 H new ATOM 0 HD3 LYS A 123 23.353 5.390 -12.238 1.00 0.00 H new ATOM 0 HE2 LYS A 123 25.740 4.805 -11.721 1.00 0.00 H new ATOM 0 HE3 LYS A 123 25.935 4.178 -13.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 26.750 6.428 -13.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 25.420 6.371 -14.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 25.231 6.977 -12.648 1.00 0.00 H new ATOM 599 N GLY A 124 19.872 0.315 -11.059 1.00 0.00 N ATOM 600 CA GLY A 124 18.486 -0.101 -10.982 1.00 0.00 C ATOM 601 C GLY A 124 18.360 -1.266 -10.005 1.00 0.00 C ATOM 602 O GLY A 124 17.383 -1.349 -9.261 1.00 0.00 O ATOM 0 H GLY A 124 20.490 -0.192 -10.425 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.863 0.731 -10.655 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.129 -0.399 -11.968 1.00 0.00 H new ATOM 606 N ARG A 125 19.362 -2.164 -10.007 1.00 0.00 N ATOM 607 CA ARG A 125 19.386 -3.312 -9.113 1.00 0.00 C ATOM 608 C ARG A 125 20.602 -3.212 -8.199 1.00 0.00 C ATOM 609 O ARG A 125 21.730 -3.101 -8.673 1.00 0.00 O ATOM 610 CB ARG A 125 19.438 -4.617 -9.927 1.00 0.00 C ATOM 611 CG ARG A 125 18.298 -4.681 -10.959 1.00 0.00 C ATOM 612 CD ARG A 125 16.934 -4.482 -10.279 1.00 0.00 C ATOM 613 NE ARG A 125 15.956 -5.509 -10.667 1.00 0.00 N ATOM 614 CZ ARG A 125 15.458 -5.637 -11.910 1.00 0.00 C ATOM 615 NH1 ARG A 125 16.210 -5.353 -12.982 1.00 0.00 N ATOM 616 NH2 ARG A 125 14.196 -6.049 -12.074 1.00 0.00 N ATOM 0 H ARG A 125 20.169 -2.106 -10.629 1.00 0.00 H new ATOM 0 HA ARG A 125 18.479 -3.319 -8.508 1.00 0.00 H new ATOM 0 HB2 ARG A 125 20.398 -4.691 -10.438 1.00 0.00 H new ATOM 0 HB3 ARG A 125 19.369 -5.471 -9.253 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.446 -3.914 -11.719 1.00 0.00 H new ATOM 0 HG3 ARG A 125 18.318 -5.644 -11.470 1.00 0.00 H new ATOM 0 HD2 ARG A 125 17.065 -4.500 -9.197 1.00 0.00 H new ATOM 0 HD3 ARG A 125 16.544 -3.497 -10.536 1.00 0.00 H new ATOM 0 HE ARG A 125 15.637 -6.162 -9.952 1.00 0.00 H new ATOM 0 HH11 ARG A 125 17.172 -5.036 -12.861 1.00 0.00 H new ATOM 0 HH12 ARG A 125 15.821 -5.454 -13.919 1.00 0.00 H new ATOM 0 HH21 ARG A 125 13.620 -6.263 -11.260 1.00 0.00 H new ATOM 0 HH22 ARG A 125 13.810 -6.149 -13.013 1.00 0.00 H new ATOM 630 N ILE A 126 20.367 -3.251 -6.882 1.00 0.00 N ATOM 631 CA ILE A 126 21.440 -3.160 -5.904 1.00 0.00 C ATOM 632 C ILE A 126 22.279 -4.441 -5.919 1.00 0.00 C ATOM 633 O ILE A 126 21.916 -5.427 -6.566 1.00 0.00 O ATOM 634 CB ILE A 126 20.851 -2.895 -4.505 1.00 0.00 C ATOM 635 CG1 ILE A 126 19.872 -4.017 -4.117 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.123 -1.545 -4.507 1.00 0.00 C ATOM 637 CD1 ILE A 126 19.483 -3.887 -2.643 1.00 0.00 C ATOM 0 H ILE A 126 19.437 -3.346 -6.475 1.00 0.00 H new ATOM 0 HA ILE A 126 22.095 -2.328 -6.162 1.00 0.00 H new ATOM 0 HB ILE A 126 21.660 -2.872 -3.775 1.00 0.00 H new ATOM 0 HG12 ILE A 126 18.981 -3.965 -4.743 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.331 -4.989 -4.296 1.00 0.00 H new ATOM 0 HG21 ILE A 126 19.705 -1.355 -3.518 1.00 0.00 H new ATOM 0 HG22 ILE A 126 20.827 -0.753 -4.762 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.319 -1.566 -5.242 1.00 0.00 H new ATOM 0 HD11 ILE A 126 18.790 -4.685 -2.378 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.376 -3.961 -2.023 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.005 -2.922 -2.477 1.00 0.00 H new ATOM 649 N GLY A 127 23.409 -4.414 -5.201 1.00 0.00 N ATOM 650 CA GLY A 127 24.327 -5.543 -5.134 1.00 0.00 C ATOM 651 C GLY A 127 23.606 -6.826 -4.722 1.00 0.00 C ATOM 652 O GLY A 127 23.907 -7.893 -5.247 1.00 0.00 O ATOM 0 H GLY A 127 23.707 -3.607 -4.653 1.00 0.00 H new ATOM 0 HA2 GLY A 127 24.801 -5.686 -6.105 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.122 -5.326 -4.420 1.00 0.00 H new ATOM 656 N LYS A 128 22.658 -6.724 -3.780 1.00 0.00 N ATOM 657 CA LYS A 128 21.922 -7.886 -3.304 1.00 0.00 C ATOM 658 C LYS A 128 21.180 -8.555 -4.464 1.00 0.00 C ATOM 659 O LYS A 128 21.351 -9.746 -4.699 1.00 0.00 O ATOM 660 CB LYS A 128 20.946 -7.462 -2.202 1.00 0.00 C ATOM 661 CG LYS A 128 20.264 -8.703 -1.621 1.00 0.00 C ATOM 662 CD LYS A 128 19.384 -8.309 -0.435 1.00 0.00 C ATOM 663 CE LYS A 128 18.704 -9.561 0.126 1.00 0.00 C ATOM 664 NZ LYS A 128 17.854 -9.230 1.284 1.00 0.00 N ATOM 0 H LYS A 128 22.389 -5.845 -3.337 1.00 0.00 H new ATOM 0 HA LYS A 128 22.622 -8.611 -2.889 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.478 -6.925 -1.417 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.199 -6.779 -2.606 1.00 0.00 H new ATOM 0 HG2 LYS A 128 19.660 -9.188 -2.387 1.00 0.00 H new ATOM 0 HG3 LYS A 128 21.015 -9.426 -1.303 1.00 0.00 H new ATOM 0 HD2 LYS A 128 19.987 -7.831 0.337 1.00 0.00 H new ATOM 0 HD3 LYS A 128 18.634 -7.583 -0.749 1.00 0.00 H new ATOM 0 HE2 LYS A 128 18.099 -10.029 -0.651 1.00 0.00 H new ATOM 0 HE3 LYS A 128 19.461 -10.288 0.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 17.405 -10.096 1.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 18.437 -8.805 2.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 17.119 -8.555 0.993 1.00 0.00 H new ATOM 678 N GLN A 129 20.355 -7.784 -5.186 1.00 0.00 N ATOM 679 CA GLN A 129 19.591 -8.312 -6.310 1.00 0.00 C ATOM 680 C GLN A 129 20.533 -8.929 -7.338 1.00 0.00 C ATOM 681 O GLN A 129 20.289 -10.035 -7.811 1.00 0.00 O ATOM 682 CB GLN A 129 18.768 -7.191 -6.950 1.00 0.00 C ATOM 683 CG GLN A 129 17.463 -6.992 -6.178 1.00 0.00 C ATOM 684 CD GLN A 129 16.574 -5.981 -6.891 1.00 0.00 C ATOM 685 OE1 GLN A 129 15.811 -6.343 -7.787 1.00 0.00 O ATOM 686 NE2 GLN A 129 16.677 -4.713 -6.499 1.00 0.00 N ATOM 0 H GLN A 129 20.204 -6.791 -5.006 1.00 0.00 H new ATOM 0 HA GLN A 129 18.913 -9.086 -5.949 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.342 -6.264 -6.954 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.551 -7.436 -7.990 1.00 0.00 H new ATOM 0 HG2 GLN A 129 16.940 -7.944 -6.084 1.00 0.00 H new ATOM 0 HG3 GLN A 129 17.680 -6.646 -5.167 1.00 0.00 H new ATOM 0 HE21 GLN A 129 17.324 -4.461 -5.752 1.00 0.00 H new ATOM 0 HE22 GLN A 129 16.109 -3.993 -6.946 1.00 0.00 H new ATOM 695 N CYS A 130 21.607 -8.210 -7.683 1.00 0.00 N ATOM 696 CA CYS A 130 22.581 -8.696 -8.654 1.00 0.00 C ATOM 697 C CYS A 130 23.141 -10.048 -8.203 1.00 0.00 C ATOM 698 O CYS A 130 23.220 -10.985 -8.998 1.00 0.00 O ATOM 699 CB CYS A 130 23.711 -7.673 -8.810 1.00 0.00 C ATOM 700 SG CYS A 130 23.059 -6.178 -9.599 1.00 0.00 S ATOM 0 H CYS A 130 21.820 -7.289 -7.301 1.00 0.00 H new ATOM 0 HA CYS A 130 22.092 -8.829 -9.619 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.134 -7.429 -7.835 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.517 -8.093 -9.411 1.00 0.00 H new ATOM 0 HG CYS A 130 22.421 -5.465 -8.718 1.00 0.00 H new ATOM 706 N ARG A 131 23.529 -10.145 -6.925 1.00 0.00 N ATOM 707 CA ARG A 131 24.085 -11.369 -6.372 1.00 0.00 C ATOM 708 C ARG A 131 23.064 -12.505 -6.464 1.00 0.00 C ATOM 709 O ARG A 131 23.365 -13.553 -7.021 1.00 0.00 O ATOM 710 CB ARG A 131 24.509 -11.118 -4.915 1.00 0.00 C ATOM 711 CG ARG A 131 25.313 -12.312 -4.379 1.00 0.00 C ATOM 712 CD ARG A 131 24.392 -13.266 -3.613 1.00 0.00 C ATOM 713 NE ARG A 131 25.096 -14.500 -3.247 1.00 0.00 N ATOM 714 CZ ARG A 131 24.483 -15.544 -2.662 1.00 0.00 C ATOM 715 NH1 ARG A 131 23.181 -15.477 -2.355 1.00 0.00 N ATOM 716 NH2 ARG A 131 25.178 -16.655 -2.385 1.00 0.00 N ATOM 0 H ARG A 131 23.464 -9.378 -6.256 1.00 0.00 H new ATOM 0 HA ARG A 131 24.962 -11.667 -6.946 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.110 -10.210 -4.855 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.627 -10.958 -4.295 1.00 0.00 H new ATOM 0 HG2 ARG A 131 25.790 -12.840 -5.205 1.00 0.00 H new ATOM 0 HG3 ARG A 131 26.110 -11.959 -3.724 1.00 0.00 H new ATOM 0 HD2 ARG A 131 24.022 -12.775 -2.713 1.00 0.00 H new ATOM 0 HD3 ARG A 131 23.523 -13.507 -4.225 1.00 0.00 H new ATOM 0 HE ARG A 131 26.094 -14.569 -3.445 1.00 0.00 H new ATOM 0 HH11 ARG A 131 22.650 -14.632 -2.565 1.00 0.00 H new ATOM 0 HH12 ARG A 131 22.720 -16.271 -1.911 1.00 0.00 H new ATOM 0 HH21 ARG A 131 26.170 -16.708 -2.618 1.00 0.00 H new ATOM 0 HH22 ARG A 131 24.716 -17.448 -1.941 1.00 0.00 H new ATOM 730 N GLU A 132 21.861 -12.296 -5.912 1.00 0.00 N ATOM 731 CA GLU A 132 20.815 -13.317 -5.916 1.00 0.00 C ATOM 732 C GLU A 132 20.533 -13.791 -7.337 1.00 0.00 C ATOM 733 O GLU A 132 20.510 -14.991 -7.589 1.00 0.00 O ATOM 734 CB GLU A 132 19.535 -12.749 -5.276 1.00 0.00 C ATOM 735 CG GLU A 132 19.365 -13.293 -3.851 1.00 0.00 C ATOM 736 CD GLU A 132 20.431 -12.742 -2.912 1.00 0.00 C ATOM 737 OE1 GLU A 132 20.167 -11.677 -2.316 1.00 0.00 O ATOM 738 OE2 GLU A 132 21.488 -13.399 -2.805 1.00 0.00 O ATOM 0 H GLU A 132 21.592 -11.424 -5.456 1.00 0.00 H new ATOM 0 HA GLU A 132 21.156 -14.174 -5.334 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.584 -11.660 -5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 132 18.668 -13.017 -5.881 1.00 0.00 H new ATOM 0 HG2 GLU A 132 18.376 -13.029 -3.475 1.00 0.00 H new ATOM 0 HG3 GLU A 132 19.420 -14.381 -3.867 1.00 0.00 H new ATOM 745 N ARG A 133 20.318 -12.854 -8.265 1.00 0.00 N ATOM 746 CA ARG A 133 20.026 -13.197 -9.650 1.00 0.00 C ATOM 747 C ARG A 133 21.063 -14.196 -10.176 1.00 0.00 C ATOM 748 O ARG A 133 20.733 -15.078 -10.969 1.00 0.00 O ATOM 749 CB ARG A 133 20.019 -11.915 -10.501 1.00 0.00 C ATOM 750 CG ARG A 133 19.414 -12.185 -11.887 1.00 0.00 C ATOM 751 CD ARG A 133 17.887 -12.267 -11.801 1.00 0.00 C ATOM 752 NE ARG A 133 17.315 -12.554 -13.124 1.00 0.00 N ATOM 753 CZ ARG A 133 16.048 -12.962 -13.315 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.288 -13.299 -12.274 1.00 0.00 N ATOM 755 NH2 ARG A 133 15.548 -13.026 -14.553 1.00 0.00 N ATOM 0 H ARG A 133 20.342 -11.852 -8.077 1.00 0.00 H new ATOM 0 HA ARG A 133 19.044 -13.666 -9.712 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.446 -11.139 -9.994 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.037 -11.540 -10.610 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.703 -11.392 -12.577 1.00 0.00 H new ATOM 0 HG3 ARG A 133 19.812 -13.117 -12.288 1.00 0.00 H new ATOM 0 HD2 ARG A 133 17.597 -13.046 -11.096 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.487 -11.327 -11.421 1.00 0.00 H new ATOM 0 HE ARG A 133 17.912 -12.437 -13.943 1.00 0.00 H new ATOM 0 HH11 ARG A 133 15.667 -13.248 -11.328 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.327 -13.608 -12.423 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.127 -12.766 -15.351 1.00 0.00 H new ATOM 0 HH22 ARG A 133 14.587 -13.335 -14.700 1.00 0.00 H new ATOM 769 N TRP A 134 22.316 -14.050 -9.733 1.00 0.00 N ATOM 770 CA TRP A 134 23.397 -14.901 -10.186 1.00 0.00 C ATOM 771 C TRP A 134 23.440 -16.226 -9.415 1.00 0.00 C ATOM 772 O TRP A 134 23.453 -17.293 -10.023 1.00 0.00 O ATOM 773 CB TRP A 134 24.717 -14.142 -10.035 1.00 0.00 C ATOM 774 CG TRP A 134 25.802 -14.657 -10.913 1.00 0.00 C ATOM 775 CD1 TRP A 134 26.944 -15.237 -10.510 1.00 0.00 C ATOM 776 CD2 TRP A 134 25.855 -14.657 -12.362 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.710 -15.605 -11.589 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.077 -15.270 -12.773 1.00 0.00 C ATOM 779 CE3 TRP A 134 24.992 -14.202 -13.381 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.415 -15.429 -14.117 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.327 -14.358 -14.730 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.532 -14.978 -15.102 1.00 0.00 C ATOM 0 H TRP A 134 22.598 -13.341 -9.056 1.00 0.00 H new ATOM 0 HA TRP A 134 23.232 -15.153 -11.234 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.549 -13.089 -10.259 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.043 -14.199 -8.996 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.222 -15.393 -9.478 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.620 -16.062 -11.526 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.059 -13.726 -13.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.349 -15.896 -14.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.653 -13.998 -15.493 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.775 -15.106 -16.146 1.00 0.00 H new ATOM 793 N HIS A 135 23.480 -16.163 -8.079 1.00 0.00 N ATOM 794 CA HIS A 135 23.612 -17.357 -7.244 1.00 0.00 C ATOM 795 C HIS A 135 22.287 -18.128 -7.114 1.00 0.00 C ATOM 796 O HIS A 135 22.028 -18.728 -6.071 1.00 0.00 O ATOM 797 CB HIS A 135 24.135 -16.936 -5.864 1.00 0.00 C ATOM 798 CG HIS A 135 25.581 -16.515 -5.898 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.610 -17.330 -5.439 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.205 -15.373 -6.331 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.758 -16.645 -5.616 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.579 -15.439 -6.156 1.00 0.00 N ATOM 0 H HIS A 135 23.422 -15.291 -7.553 1.00 0.00 H new ATOM 0 HA HIS A 135 24.317 -18.038 -7.721 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.529 -16.113 -5.485 1.00 0.00 H new ATOM 0 HB3 HIS A 135 24.018 -17.765 -5.166 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.689 -14.525 -6.757 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.728 -17.035 -5.347 1.00 0.00 H new ATOM 0 HE2 HIS A 135 28.282 -14.736 -6.385 1.00 0.00 H new ATOM 810 N ASN A 136 21.459 -18.132 -8.167 1.00 0.00 N ATOM 811 CA ASN A 136 20.205 -18.882 -8.163 1.00 0.00 C ATOM 812 C ASN A 136 19.899 -19.406 -9.557 1.00 0.00 C ATOM 813 O ASN A 136 19.964 -20.607 -9.803 1.00 0.00 O ATOM 814 CB ASN A 136 19.053 -17.988 -7.690 1.00 0.00 C ATOM 815 CG ASN A 136 19.046 -17.855 -6.177 1.00 0.00 C ATOM 816 OD1 ASN A 136 18.435 -18.662 -5.482 1.00 0.00 O ATOM 817 ND2 ASN A 136 19.723 -16.836 -5.671 1.00 0.00 N ATOM 0 H ASN A 136 21.639 -17.622 -9.032 1.00 0.00 H new ATOM 0 HA ASN A 136 20.311 -19.724 -7.479 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.145 -17.001 -8.144 1.00 0.00 H new ATOM 0 HB3 ASN A 136 18.104 -18.406 -8.025 1.00 0.00 H new ATOM 0 HD21 ASN A 136 19.753 -16.695 -4.661 1.00 0.00 H new ATOM 0 HD22 ASN A 136 20.215 -16.192 -6.291 1.00 0.00 H new ATOM 824 N HIS A 137 19.539 -18.494 -10.458 1.00 0.00 N ATOM 825 CA HIS A 137 19.118 -18.859 -11.807 1.00 0.00 C ATOM 826 C HIS A 137 20.278 -19.378 -12.659 1.00 0.00 C ATOM 827 O HIS A 137 20.255 -20.533 -13.082 1.00 0.00 O ATOM 828 CB HIS A 137 18.470 -17.652 -12.485 1.00 0.00 C ATOM 829 CG HIS A 137 17.408 -17.011 -11.643 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.192 -17.621 -11.359 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.357 -15.806 -11.011 1.00 0.00 C ATOM 832 CE1 HIS A 137 15.499 -16.758 -10.588 1.00 0.00 C ATOM 833 NE2 HIS A 137 16.157 -15.623 -10.338 1.00 0.00 N ATOM 0 H HIS A 137 19.531 -17.491 -10.275 1.00 0.00 H new ATOM 0 HA HIS A 137 18.396 -19.671 -11.719 1.00 0.00 H new ATOM 0 HB2 HIS A 137 19.239 -16.914 -12.715 1.00 0.00 H new ATOM 0 HB3 HIS A 137 18.035 -17.965 -13.434 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.155 -15.079 -11.031 1.00 0.00 H new ATOM 0 HE1 HIS A 137 14.509 -16.965 -10.210 1.00 0.00 H new ATOM 0 HE2 HIS A 137 15.853 -14.820 -9.788 1.00 0.00 H new ATOM 841 N LEU A 138 21.277 -18.524 -12.939 1.00 0.00 N ATOM 842 CA LEU A 138 22.369 -18.889 -13.838 1.00 0.00 C ATOM 843 C LEU A 138 23.723 -18.397 -13.326 1.00 0.00 C ATOM 844 O LEU A 138 23.840 -17.284 -12.820 1.00 0.00 O ATOM 845 CB LEU A 138 22.086 -18.306 -15.233 1.00 0.00 C ATOM 846 CG LEU A 138 21.729 -16.807 -15.134 1.00 0.00 C ATOM 847 CD1 LEU A 138 22.652 -15.996 -16.036 1.00 0.00 C ATOM 848 CD2 LEU A 138 20.282 -16.588 -15.577 1.00 0.00 C ATOM 0 H LEU A 138 21.345 -17.582 -12.554 1.00 0.00 H new ATOM 0 HA LEU A 138 22.422 -19.977 -13.888 1.00 0.00 H new ATOM 0 HB2 LEU A 138 22.960 -18.436 -15.871 1.00 0.00 H new ATOM 0 HB3 LEU A 138 21.266 -18.850 -15.701 1.00 0.00 H new ATOM 0 HG LEU A 138 21.849 -16.484 -14.100 1.00 0.00 H new ATOM 0 HD11 LEU A 138 22.396 -14.939 -15.963 1.00 0.00 H new ATOM 0 HD12 LEU A 138 23.686 -16.141 -15.723 1.00 0.00 H new ATOM 0 HD13 LEU A 138 22.535 -16.327 -17.068 1.00 0.00 H new ATOM 0 HD21 LEU A 138 20.036 -15.529 -15.505 1.00 0.00 H new ATOM 0 HD22 LEU A 138 20.163 -16.919 -16.609 1.00 0.00 H new ATOM 0 HD23 LEU A 138 19.614 -17.160 -14.933 1.00 0.00 H new ATOM 860 N ASN A 139 24.747 -19.249 -13.487 1.00 0.00 N ATOM 861 CA ASN A 139 26.117 -18.934 -13.105 1.00 0.00 C ATOM 862 C ASN A 139 27.055 -19.967 -13.747 1.00 0.00 C ATOM 863 O ASN A 139 27.560 -20.851 -13.057 1.00 0.00 O ATOM 864 CB ASN A 139 26.244 -18.950 -11.574 1.00 0.00 C ATOM 865 CG ASN A 139 27.678 -18.659 -11.128 1.00 0.00 C ATOM 866 OD1 ASN A 139 28.521 -18.264 -11.931 1.00 0.00 O ATOM 867 ND2 ASN A 139 27.952 -18.852 -9.838 1.00 0.00 N ATOM 0 H ASN A 139 24.639 -20.180 -13.889 1.00 0.00 H new ATOM 0 HA ASN A 139 26.391 -17.939 -13.455 1.00 0.00 H new ATOM 0 HB2 ASN A 139 25.570 -18.209 -11.144 1.00 0.00 H new ATOM 0 HB3 ASN A 139 25.933 -19.922 -11.192 1.00 0.00 H new ATOM 0 HD21 ASN A 139 28.891 -18.671 -9.483 1.00 0.00 H new ATOM 0 HD22 ASN A 139 27.223 -19.181 -9.205 1.00 0.00 H new ATOM 874 N PRO A 140 27.281 -19.867 -15.075 1.00 0.00 N ATOM 875 CA PRO A 140 28.128 -20.795 -15.795 1.00 0.00 C ATOM 876 C PRO A 140 29.602 -20.532 -15.469 1.00 0.00 C ATOM 877 O PRO A 140 30.167 -21.194 -14.601 1.00 0.00 O ATOM 878 CB PRO A 140 27.813 -20.558 -17.278 1.00 0.00 C ATOM 879 CG PRO A 140 27.098 -19.202 -17.353 1.00 0.00 C ATOM 880 CD PRO A 140 26.697 -18.842 -15.919 1.00 0.00 C ATOM 0 HA PRO A 140 27.944 -21.833 -15.520 1.00 0.00 H new ATOM 0 HB2 PRO A 140 28.726 -20.550 -17.873 1.00 0.00 H new ATOM 0 HB3 PRO A 140 27.181 -21.353 -17.674 1.00 0.00 H new ATOM 0 HG2 PRO A 140 27.754 -18.441 -17.775 1.00 0.00 H new ATOM 0 HG3 PRO A 140 26.221 -19.261 -17.998 1.00 0.00 H new ATOM 0 HD2 PRO A 140 27.067 -17.854 -15.646 1.00 0.00 H new ATOM 0 HD3 PRO A 140 25.613 -18.818 -15.811 1.00 0.00 H new ATOM 888 N GLU A 141 30.214 -19.561 -16.173 1.00 0.00 N ATOM 889 CA GLU A 141 31.615 -19.192 -15.977 1.00 0.00 C ATOM 890 C GLU A 141 32.493 -20.442 -15.865 1.00 0.00 C ATOM 891 O GLU A 141 33.239 -20.603 -14.906 1.00 0.00 O ATOM 892 CB GLU A 141 31.740 -18.309 -14.728 1.00 0.00 C ATOM 893 CG GLU A 141 30.859 -17.062 -14.878 1.00 0.00 C ATOM 894 CD GLU A 141 31.303 -16.211 -16.065 1.00 0.00 C ATOM 895 OE1 GLU A 141 32.370 -15.577 -15.937 1.00 0.00 O ATOM 896 OE2 GLU A 141 30.568 -16.213 -17.079 1.00 0.00 O ATOM 0 H GLU A 141 29.743 -19.014 -16.894 1.00 0.00 H new ATOM 0 HA GLU A 141 31.963 -18.626 -16.841 1.00 0.00 H new ATOM 0 HB2 GLU A 141 31.441 -18.871 -13.843 1.00 0.00 H new ATOM 0 HB3 GLU A 141 32.779 -18.015 -14.583 1.00 0.00 H new ATOM 0 HG2 GLU A 141 29.820 -17.362 -15.011 1.00 0.00 H new ATOM 0 HG3 GLU A 141 30.905 -16.469 -13.965 1.00 0.00 H new HETATM 903 N NH2 A 142 32.403 -21.327 -16.850 1.00 0.00 N TER 906 NH2 A 142