USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 460 hydrogens (2 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 113 LYS NZ :NH3+ 175:sc= 1.16 (180deg=0) USER MOD Set 1.2: A 135 HIS : no HE2:sc= 0.958 K(o=2.1,f=-3.2) USER MOD Set 2.1: A 110 TYR OH : rot -128:sc= 1.36 USER MOD Set 2.2: A 121 HIS : no HE2:sc= 1.05 K(o=2.4,f=-2.4) USER MOD Single : A 92 LYS NZ :NH3+ -167:sc= 1.23 (180deg=0.839) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.561 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= -0.378 X(o=-0.38,f=-0.38) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ -177:sc= 1.31 (180deg=1.21) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 162:sc= -0.0254 (180deg=-0.342) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 136:sc= 0 (180deg=-0.301) USER MOD Single : A 129 GLN : amide:sc= -0.155 X(o=-0.16,f=-0.23) USER MOD Single : A 130 CYS SG : rot 85:sc= 0.206 USER MOD Single : A 136 ASN : amide:sc= -0.245 X(o=-0.24,f=-0.16) USER MOD Single : A 137 HIS : no HE2:sc=-0.00098 K(o=-0.00098,f=-4.5!) USER MOD Single : A 139 ASN : amide:sc= 0.58 K(o=0.58,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 90 17.095 -1.404 -5.905 1.00 0.00 N ATOM 2 CA LEU A 90 15.627 -1.343 -6.004 1.00 0.00 C ATOM 3 C LEU A 90 15.114 -2.526 -6.819 1.00 0.00 C ATOM 4 O LEU A 90 15.885 -3.175 -7.527 1.00 0.00 O ATOM 5 CB LEU A 90 15.183 -0.018 -6.656 1.00 0.00 C ATOM 6 CG LEU A 90 14.887 1.065 -5.596 1.00 0.00 C ATOM 7 CD1 LEU A 90 13.629 0.700 -4.797 1.00 0.00 C ATOM 8 CD2 LEU A 90 16.077 1.231 -4.644 1.00 0.00 C ATOM 0 HA LEU A 90 15.206 -1.391 -5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 90 15.963 0.336 -7.331 1.00 0.00 H new ATOM 0 HB3 LEU A 90 14.292 -0.190 -7.260 1.00 0.00 H new ATOM 0 HG LEU A 90 14.719 2.009 -6.113 1.00 0.00 H new ATOM 0 HD11 LEU A 90 13.433 1.473 -4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 90 12.778 0.623 -5.474 1.00 0.00 H new ATOM 0 HD13 LEU A 90 13.781 -0.256 -4.295 1.00 0.00 H new ATOM 0 HD21 LEU A 90 15.848 1.999 -3.905 1.00 0.00 H new ATOM 0 HD22 LEU A 90 16.272 0.286 -4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 90 16.959 1.526 -5.212 1.00 0.00 H new ATOM 22 N ILE A 91 13.811 -2.801 -6.716 1.00 0.00 N ATOM 23 CA ILE A 91 13.190 -3.891 -7.447 1.00 0.00 C ATOM 24 C ILE A 91 12.785 -3.393 -8.832 1.00 0.00 C ATOM 25 O ILE A 91 12.327 -2.261 -8.977 1.00 0.00 O ATOM 26 CB ILE A 91 11.965 -4.403 -6.669 1.00 0.00 C ATOM 27 CG1 ILE A 91 12.353 -4.772 -5.221 1.00 0.00 C ATOM 28 CG2 ILE A 91 11.373 -5.627 -7.380 1.00 0.00 C ATOM 29 CD1 ILE A 91 13.523 -5.764 -5.195 1.00 0.00 C ATOM 0 H ILE A 91 13.167 -2.274 -6.126 1.00 0.00 H new ATOM 0 HA ILE A 91 13.893 -4.716 -7.560 1.00 0.00 H new ATOM 0 HB ILE A 91 11.219 -3.609 -6.634 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.626 -3.870 -4.674 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.493 -5.206 -4.711 1.00 0.00 H new ATOM 0 HG21 ILE A 91 10.506 -5.986 -6.825 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.069 -5.350 -8.389 1.00 0.00 H new ATOM 0 HG23 ILE A 91 12.123 -6.416 -7.431 1.00 0.00 H new ATOM 0 HD11 ILE A 91 13.773 -6.005 -4.162 1.00 0.00 H new ATOM 0 HD12 ILE A 91 13.239 -6.675 -5.721 1.00 0.00 H new ATOM 0 HD13 ILE A 91 14.389 -5.318 -5.684 1.00 0.00 H new ATOM 41 N LYS A 92 12.959 -4.246 -9.847 1.00 0.00 N ATOM 42 CA LYS A 92 12.621 -3.908 -11.221 1.00 0.00 C ATOM 43 C LYS A 92 12.083 -5.156 -11.907 1.00 0.00 C ATOM 44 O LYS A 92 12.592 -5.591 -12.939 1.00 0.00 O ATOM 45 CB LYS A 92 13.869 -3.360 -11.910 1.00 0.00 C ATOM 46 CG LYS A 92 13.507 -2.719 -13.254 1.00 0.00 C ATOM 47 CD LYS A 92 14.715 -1.933 -13.778 1.00 0.00 C ATOM 48 CE LYS A 92 14.611 -1.753 -15.296 1.00 0.00 C ATOM 49 NZ LYS A 92 14.856 -3.025 -16.001 1.00 0.00 N ATOM 0 H LYS A 92 13.338 -5.186 -9.733 1.00 0.00 H new ATOM 0 HA LYS A 92 11.849 -3.140 -11.268 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.351 -2.623 -11.268 1.00 0.00 H new ATOM 0 HB3 LYS A 92 14.587 -4.165 -12.067 1.00 0.00 H new ATOM 0 HG2 LYS A 92 13.219 -3.487 -13.971 1.00 0.00 H new ATOM 0 HG3 LYS A 92 12.650 -2.056 -13.135 1.00 0.00 H new ATOM 0 HD2 LYS A 92 14.763 -0.959 -13.291 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.636 -2.459 -13.529 1.00 0.00 H new ATOM 0 HE2 LYS A 92 13.621 -1.376 -15.553 1.00 0.00 H new ATOM 0 HE3 LYS A 92 15.332 -1.006 -15.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 14.998 -2.839 -17.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 15.705 -3.480 -15.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 14.037 -3.654 -15.876 1.00 0.00 H new ATOM 63 N GLY A 93 11.047 -5.730 -11.304 1.00 0.00 N ATOM 64 CA GLY A 93 10.424 -6.943 -11.804 1.00 0.00 C ATOM 65 C GLY A 93 11.337 -8.144 -11.541 1.00 0.00 C ATOM 66 O GLY A 93 12.420 -7.986 -10.967 1.00 0.00 O ATOM 0 H GLY A 93 10.618 -5.364 -10.454 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.460 -7.094 -11.318 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.231 -6.849 -12.873 1.00 0.00 H new ATOM 70 N PRO A 94 10.907 -9.350 -11.961 1.00 0.00 N ATOM 71 CA PRO A 94 11.671 -10.574 -11.785 1.00 0.00 C ATOM 72 C PRO A 94 12.804 -10.666 -12.815 1.00 0.00 C ATOM 73 O PRO A 94 13.046 -11.725 -13.394 1.00 0.00 O ATOM 74 CB PRO A 94 10.650 -11.691 -11.965 1.00 0.00 C ATOM 75 CG PRO A 94 9.460 -11.073 -12.711 1.00 0.00 C ATOM 76 CD PRO A 94 9.633 -9.556 -12.617 1.00 0.00 C ATOM 0 HA PRO A 94 12.159 -10.627 -10.812 1.00 0.00 H new ATOM 0 HB2 PRO A 94 11.076 -12.519 -12.531 1.00 0.00 H new ATOM 0 HB3 PRO A 94 10.338 -12.092 -11.000 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.442 -11.398 -13.751 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.516 -11.385 -12.263 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.623 -9.098 -13.606 1.00 0.00 H new ATOM 0 HD3 PRO A 94 8.821 -9.103 -12.048 1.00 0.00 H new ATOM 84 N TRP A 95 13.487 -9.540 -13.024 1.00 0.00 N ATOM 85 CA TRP A 95 14.596 -9.422 -13.970 1.00 0.00 C ATOM 86 C TRP A 95 14.125 -9.704 -15.404 1.00 0.00 C ATOM 87 O TRP A 95 12.999 -10.149 -15.625 1.00 0.00 O ATOM 88 CB TRP A 95 15.744 -10.354 -13.554 1.00 0.00 C ATOM 89 CG TRP A 95 16.615 -9.810 -12.465 1.00 0.00 C ATOM 90 CD1 TRP A 95 16.285 -9.712 -11.165 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.968 -9.276 -12.561 1.00 0.00 C ATOM 92 NE1 TRP A 95 17.312 -9.157 -10.437 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.387 -8.858 -11.257 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.890 -9.099 -13.615 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.643 -8.288 -11.022 1.00 0.00 C ATOM 96 CZ3 TRP A 95 20.156 -8.529 -13.379 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.530 -8.124 -12.087 1.00 0.00 C ATOM 0 H TRP A 95 13.281 -8.670 -12.532 1.00 0.00 H new ATOM 0 HA TRP A 95 14.969 -8.398 -13.951 1.00 0.00 H new ATOM 0 HB2 TRP A 95 15.324 -11.305 -13.226 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.362 -10.563 -14.427 1.00 0.00 H new ATOM 0 HD1 TRP A 95 15.340 -10.027 -10.748 1.00 0.00 H new ATOM 0 HE1 TRP A 95 17.285 -8.989 -9.431 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.621 -9.405 -14.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.923 -7.978 -10.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.846 -8.402 -14.200 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.503 -7.686 -11.918 1.00 0.00 H new ATOM 108 N THR A 96 14.999 -9.423 -16.380 1.00 0.00 N ATOM 109 CA THR A 96 14.692 -9.621 -17.792 1.00 0.00 C ATOM 110 C THR A 96 15.901 -10.246 -18.480 1.00 0.00 C ATOM 111 O THR A 96 16.993 -10.242 -17.926 1.00 0.00 O ATOM 112 CB THR A 96 14.336 -8.273 -18.450 1.00 0.00 C ATOM 113 OG1 THR A 96 15.518 -7.583 -18.802 1.00 0.00 O ATOM 114 CG2 THR A 96 13.516 -7.405 -17.489 1.00 0.00 C ATOM 0 H THR A 96 15.934 -9.054 -16.208 1.00 0.00 H new ATOM 0 HA THR A 96 13.835 -10.287 -17.892 1.00 0.00 H new ATOM 0 HB THR A 96 13.745 -8.473 -19.344 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.285 -6.728 -19.221 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.274 -6.458 -17.971 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.594 -7.924 -17.226 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.096 -7.215 -16.586 1.00 0.00 H new ATOM 122 N LYS A 97 15.707 -10.775 -19.692 1.00 0.00 N ATOM 123 CA LYS A 97 16.791 -11.385 -20.450 1.00 0.00 C ATOM 124 C LYS A 97 17.906 -10.360 -20.680 1.00 0.00 C ATOM 125 O LYS A 97 19.085 -10.693 -20.588 1.00 0.00 O ATOM 126 CB LYS A 97 16.242 -11.905 -21.783 1.00 0.00 C ATOM 127 CG LYS A 97 17.328 -12.690 -22.526 1.00 0.00 C ATOM 128 CD LYS A 97 16.743 -13.282 -23.811 1.00 0.00 C ATOM 129 CE LYS A 97 17.830 -14.053 -24.564 1.00 0.00 C ATOM 130 NZ LYS A 97 17.297 -14.647 -25.803 1.00 0.00 N ATOM 0 H LYS A 97 14.804 -10.790 -20.166 1.00 0.00 H new ATOM 0 HA LYS A 97 17.210 -12.222 -19.891 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.377 -12.544 -21.605 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.901 -11.070 -22.396 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.166 -12.035 -22.764 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.715 -13.486 -21.890 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.912 -13.946 -23.572 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.345 -12.487 -24.441 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.656 -13.383 -24.804 1.00 0.00 H new ATOM 0 HE3 LYS A 97 18.233 -14.838 -23.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.054 -15.164 -26.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.525 -15.304 -25.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.935 -13.893 -26.422 1.00 0.00 H new ATOM 144 N GLU A 98 17.523 -9.114 -20.977 1.00 0.00 N ATOM 145 CA GLU A 98 18.473 -8.039 -21.223 1.00 0.00 C ATOM 146 C GLU A 98 19.224 -7.705 -19.935 1.00 0.00 C ATOM 147 O GLU A 98 20.451 -7.601 -19.933 1.00 0.00 O ATOM 148 CB GLU A 98 17.709 -6.815 -21.742 1.00 0.00 C ATOM 149 CG GLU A 98 18.686 -5.685 -22.077 1.00 0.00 C ATOM 150 CD GLU A 98 17.936 -4.450 -22.557 1.00 0.00 C ATOM 151 OE1 GLU A 98 17.188 -3.884 -21.730 1.00 0.00 O ATOM 152 OE2 GLU A 98 18.123 -4.097 -23.741 1.00 0.00 O ATOM 0 H GLU A 98 16.547 -8.829 -21.052 1.00 0.00 H new ATOM 0 HA GLU A 98 19.204 -8.348 -21.970 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.135 -7.084 -22.629 1.00 0.00 H new ATOM 0 HB3 GLU A 98 16.995 -6.477 -20.991 1.00 0.00 H new ATOM 0 HG2 GLU A 98 19.279 -5.437 -21.197 1.00 0.00 H new ATOM 0 HG3 GLU A 98 19.382 -6.016 -22.847 1.00 0.00 H new ATOM 159 N GLU A 99 18.481 -7.535 -18.838 1.00 0.00 N ATOM 160 CA GLU A 99 19.066 -7.209 -17.550 1.00 0.00 C ATOM 161 C GLU A 99 20.048 -8.312 -17.138 1.00 0.00 C ATOM 162 O GLU A 99 21.147 -8.026 -16.663 1.00 0.00 O ATOM 163 CB GLU A 99 17.935 -7.040 -16.526 1.00 0.00 C ATOM 164 CG GLU A 99 18.348 -6.047 -15.439 1.00 0.00 C ATOM 165 CD GLU A 99 17.140 -5.630 -14.612 1.00 0.00 C ATOM 166 OE1 GLU A 99 16.616 -6.500 -13.883 1.00 0.00 O ATOM 167 OE2 GLU A 99 16.758 -4.446 -14.723 1.00 0.00 O ATOM 0 H GLU A 99 17.465 -7.620 -18.825 1.00 0.00 H new ATOM 0 HA GLU A 99 19.625 -6.275 -17.604 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.032 -6.688 -17.026 1.00 0.00 H new ATOM 0 HB3 GLU A 99 17.695 -8.003 -16.076 1.00 0.00 H new ATOM 0 HG2 GLU A 99 19.101 -6.498 -14.793 1.00 0.00 H new ATOM 0 HG3 GLU A 99 18.805 -5.169 -15.895 1.00 0.00 H new ATOM 174 N ASP A 100 19.651 -9.575 -17.336 1.00 0.00 N ATOM 175 CA ASP A 100 20.499 -10.714 -17.025 1.00 0.00 C ATOM 176 C ASP A 100 21.742 -10.684 -17.909 1.00 0.00 C ATOM 177 O ASP A 100 22.846 -10.923 -17.430 1.00 0.00 O ATOM 178 CB ASP A 100 19.715 -12.015 -17.239 1.00 0.00 C ATOM 179 CG ASP A 100 18.997 -12.430 -15.968 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.679 -12.976 -15.078 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.774 -12.195 -15.904 1.00 0.00 O ATOM 0 H ASP A 100 18.738 -9.827 -17.714 1.00 0.00 H new ATOM 0 HA ASP A 100 20.812 -10.664 -15.982 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.991 -11.880 -18.043 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.395 -12.807 -17.552 1.00 0.00 H new ATOM 186 N GLN A 101 21.562 -10.383 -19.205 1.00 0.00 N ATOM 187 CA GLN A 101 22.675 -10.310 -20.141 1.00 0.00 C ATOM 188 C GLN A 101 23.711 -9.309 -19.631 1.00 0.00 C ATOM 189 O GLN A 101 24.910 -9.559 -19.721 1.00 0.00 O ATOM 190 CB GLN A 101 22.158 -9.908 -21.530 1.00 0.00 C ATOM 191 CG GLN A 101 23.259 -10.105 -22.580 1.00 0.00 C ATOM 192 CD GLN A 101 23.646 -11.575 -22.707 1.00 0.00 C ATOM 193 OE1 GLN A 101 24.767 -11.955 -22.382 1.00 0.00 O ATOM 194 NE2 GLN A 101 22.714 -12.404 -23.179 1.00 0.00 N ATOM 0 H GLN A 101 20.651 -10.187 -19.621 1.00 0.00 H new ATOM 0 HA GLN A 101 23.152 -11.287 -20.222 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.286 -10.508 -21.790 1.00 0.00 H new ATOM 0 HB3 GLN A 101 21.837 -8.866 -21.520 1.00 0.00 H new ATOM 0 HG2 GLN A 101 22.915 -9.732 -23.545 1.00 0.00 H new ATOM 0 HG3 GLN A 101 24.136 -9.518 -22.306 1.00 0.00 H new ATOM 0 HE21 GLN A 101 21.795 -12.044 -23.437 1.00 0.00 H new ATOM 0 HE22 GLN A 101 22.920 -13.398 -23.282 1.00 0.00 H new ATOM 203 N ARG A 102 23.248 -8.177 -19.088 1.00 0.00 N ATOM 204 CA ARG A 102 24.145 -7.169 -18.552 1.00 0.00 C ATOM 205 C ARG A 102 24.920 -7.744 -17.366 1.00 0.00 C ATOM 206 O ARG A 102 26.134 -7.584 -17.294 1.00 0.00 O ATOM 207 CB ARG A 102 23.348 -5.927 -18.133 1.00 0.00 C ATOM 208 CG ARG A 102 23.134 -5.002 -19.340 1.00 0.00 C ATOM 209 CD ARG A 102 24.221 -3.918 -19.368 1.00 0.00 C ATOM 210 NE ARG A 102 25.548 -4.499 -19.632 1.00 0.00 N ATOM 211 CZ ARG A 102 26.696 -3.984 -19.150 1.00 0.00 C ATOM 212 NH1 ARG A 102 26.695 -2.818 -18.488 1.00 0.00 N ATOM 213 NH2 ARG A 102 27.848 -4.643 -19.334 1.00 0.00 N ATOM 0 H ARG A 102 22.258 -7.944 -19.012 1.00 0.00 H new ATOM 0 HA ARG A 102 24.859 -6.874 -19.321 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.385 -6.226 -17.720 1.00 0.00 H new ATOM 0 HB3 ARG A 102 23.880 -5.393 -17.346 1.00 0.00 H new ATOM 0 HG2 ARG A 102 23.163 -5.582 -20.263 1.00 0.00 H new ATOM 0 HG3 ARG A 102 22.149 -4.540 -19.284 1.00 0.00 H new ATOM 0 HD2 ARG A 102 23.984 -3.182 -20.136 1.00 0.00 H new ATOM 0 HD3 ARG A 102 24.236 -3.390 -18.415 1.00 0.00 H new ATOM 0 HE ARG A 102 25.601 -5.337 -20.211 1.00 0.00 H new ATOM 0 HH11 ARG A 102 25.820 -2.313 -18.346 1.00 0.00 H new ATOM 0 HH12 ARG A 102 27.569 -2.436 -18.127 1.00 0.00 H new ATOM 0 HH21 ARG A 102 27.853 -5.530 -19.837 1.00 0.00 H new ATOM 0 HH22 ARG A 102 28.720 -4.257 -18.971 1.00 0.00 H new ATOM 227 N VAL A 103 24.222 -8.416 -16.439 1.00 0.00 N ATOM 228 CA VAL A 103 24.871 -9.011 -15.273 1.00 0.00 C ATOM 229 C VAL A 103 25.925 -10.026 -15.732 1.00 0.00 C ATOM 230 O VAL A 103 27.016 -10.079 -15.169 1.00 0.00 O ATOM 231 CB VAL A 103 23.804 -9.642 -14.341 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.021 -11.152 -14.166 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.876 -8.972 -12.966 1.00 0.00 C ATOM 0 H VAL A 103 23.213 -8.558 -16.478 1.00 0.00 H new ATOM 0 HA VAL A 103 25.387 -8.243 -14.697 1.00 0.00 H new ATOM 0 HB VAL A 103 22.827 -9.487 -14.799 1.00 0.00 H new ATOM 0 HG11 VAL A 103 23.253 -11.556 -13.506 1.00 0.00 H new ATOM 0 HG12 VAL A 103 23.960 -11.643 -15.137 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.004 -11.330 -13.730 1.00 0.00 H new ATOM 0 HG21 VAL A 103 23.128 -9.412 -12.307 1.00 0.00 H new ATOM 0 HG22 VAL A 103 24.868 -9.122 -12.540 1.00 0.00 H new ATOM 0 HG23 VAL A 103 23.684 -7.904 -13.071 1.00 0.00 H new ATOM 243 N ILE A 104 25.599 -10.823 -16.757 1.00 0.00 N ATOM 244 CA ILE A 104 26.518 -11.817 -17.291 1.00 0.00 C ATOM 245 C ILE A 104 27.757 -11.117 -17.851 1.00 0.00 C ATOM 246 O ILE A 104 28.880 -11.493 -17.529 1.00 0.00 O ATOM 247 CB ILE A 104 25.802 -12.639 -18.379 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.821 -13.617 -17.721 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.831 -13.421 -19.209 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.787 -14.100 -18.741 1.00 0.00 C ATOM 0 H ILE A 104 24.697 -10.792 -17.231 1.00 0.00 H new ATOM 0 HA ILE A 104 26.838 -12.496 -16.501 1.00 0.00 H new ATOM 0 HB ILE A 104 25.256 -11.962 -19.036 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.365 -14.469 -17.313 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.318 -13.131 -16.885 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.316 -13.999 -19.976 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.522 -12.724 -19.683 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.387 -14.096 -18.558 1.00 0.00 H new ATOM 0 HD11 ILE A 104 23.097 -14.793 -18.260 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.231 -13.246 -19.128 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.295 -14.605 -19.563 1.00 0.00 H new ATOM 262 N GLU A 105 27.545 -10.097 -18.691 1.00 0.00 N ATOM 263 CA GLU A 105 28.635 -9.350 -19.304 1.00 0.00 C ATOM 264 C GLU A 105 29.542 -8.752 -18.224 1.00 0.00 C ATOM 265 O GLU A 105 30.765 -8.816 -18.334 1.00 0.00 O ATOM 266 CB GLU A 105 28.037 -8.250 -20.197 1.00 0.00 C ATOM 267 CG GLU A 105 29.151 -7.425 -20.861 1.00 0.00 C ATOM 268 CD GLU A 105 30.057 -8.298 -21.726 1.00 0.00 C ATOM 269 OE1 GLU A 105 29.510 -9.190 -22.405 1.00 0.00 O ATOM 270 OE2 GLU A 105 31.283 -8.052 -21.690 1.00 0.00 O ATOM 0 H GLU A 105 26.616 -9.772 -18.960 1.00 0.00 H new ATOM 0 HA GLU A 105 29.246 -10.014 -19.915 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.405 -8.700 -20.963 1.00 0.00 H new ATOM 0 HB3 GLU A 105 27.400 -7.597 -19.601 1.00 0.00 H new ATOM 0 HG2 GLU A 105 28.707 -6.640 -21.474 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.746 -6.931 -20.093 1.00 0.00 H new ATOM 277 N LEU A 106 28.944 -8.170 -17.182 1.00 0.00 N ATOM 278 CA LEU A 106 29.706 -7.557 -16.105 1.00 0.00 C ATOM 279 C LEU A 106 30.489 -8.627 -15.334 1.00 0.00 C ATOM 280 O LEU A 106 31.661 -8.424 -15.027 1.00 0.00 O ATOM 281 CB LEU A 106 28.756 -6.784 -15.180 1.00 0.00 C ATOM 282 CG LEU A 106 28.182 -5.557 -15.914 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.020 -4.972 -15.108 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.267 -4.487 -16.078 1.00 0.00 C ATOM 0 H LEU A 106 27.932 -8.113 -17.066 1.00 0.00 H new ATOM 0 HA LEU A 106 30.428 -6.855 -16.522 1.00 0.00 H new ATOM 0 HB2 LEU A 106 27.945 -7.435 -14.854 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.288 -6.465 -14.284 1.00 0.00 H new ATOM 0 HG LEU A 106 27.830 -5.869 -16.897 1.00 0.00 H new ATOM 0 HD11 LEU A 106 26.616 -4.104 -15.629 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.239 -5.724 -14.997 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.376 -4.670 -14.123 1.00 0.00 H new ATOM 0 HD21 LEU A 106 28.851 -3.624 -16.598 1.00 0.00 H new ATOM 0 HD22 LEU A 106 29.627 -4.180 -15.096 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.096 -4.895 -16.657 1.00 0.00 H new ATOM 296 N VAL A 107 29.851 -9.767 -15.029 1.00 0.00 N ATOM 297 CA VAL A 107 30.515 -10.856 -14.317 1.00 0.00 C ATOM 298 C VAL A 107 31.631 -11.438 -15.188 1.00 0.00 C ATOM 299 O VAL A 107 32.632 -11.910 -14.672 1.00 0.00 O ATOM 300 CB VAL A 107 29.478 -11.930 -13.936 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.172 -13.268 -13.646 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.723 -11.482 -12.682 1.00 0.00 C ATOM 0 H VAL A 107 28.877 -9.953 -15.266 1.00 0.00 H new ATOM 0 HA VAL A 107 30.967 -10.480 -13.399 1.00 0.00 H new ATOM 0 HB VAL A 107 28.786 -12.059 -14.769 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.425 -14.015 -13.379 1.00 0.00 H new ATOM 0 HG12 VAL A 107 30.713 -13.597 -14.533 1.00 0.00 H new ATOM 0 HG13 VAL A 107 30.872 -13.143 -12.820 1.00 0.00 H new ATOM 0 HG21 VAL A 107 27.988 -12.240 -12.410 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.428 -11.348 -11.861 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.215 -10.539 -12.881 1.00 0.00 H new ATOM 312 N GLN A 108 31.460 -11.398 -16.510 1.00 0.00 N ATOM 313 CA GLN A 108 32.462 -11.907 -17.433 1.00 0.00 C ATOM 314 C GLN A 108 33.686 -10.988 -17.411 1.00 0.00 C ATOM 315 O GLN A 108 34.800 -11.424 -17.697 1.00 0.00 O ATOM 316 CB GLN A 108 31.847 -11.979 -18.839 1.00 0.00 C ATOM 317 CG GLN A 108 32.878 -12.486 -19.853 1.00 0.00 C ATOM 318 CD GLN A 108 32.241 -12.675 -21.226 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.274 -13.770 -21.782 1.00 0.00 O ATOM 320 NE2 GLN A 108 31.660 -11.606 -21.774 1.00 0.00 N ATOM 0 H GLN A 108 30.630 -11.015 -16.963 1.00 0.00 H new ATOM 0 HA GLN A 108 32.782 -12.906 -17.139 1.00 0.00 H new ATOM 0 HB2 GLN A 108 30.982 -12.642 -18.830 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.490 -10.993 -19.137 1.00 0.00 H new ATOM 0 HG2 GLN A 108 33.703 -11.777 -19.925 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.298 -13.431 -19.509 1.00 0.00 H new ATOM 0 HE21 GLN A 108 31.656 -10.716 -21.276 1.00 0.00 H new ATOM 0 HE22 GLN A 108 31.219 -11.679 -22.691 1.00 0.00 H new ATOM 329 N LYS A 109 33.466 -9.712 -17.076 1.00 0.00 N ATOM 330 CA LYS A 109 34.519 -8.714 -17.053 1.00 0.00 C ATOM 331 C LYS A 109 35.228 -8.698 -15.695 1.00 0.00 C ATOM 332 O LYS A 109 36.426 -8.958 -15.618 1.00 0.00 O ATOM 333 CB LYS A 109 33.883 -7.340 -17.347 1.00 0.00 C ATOM 334 CG LYS A 109 34.483 -6.712 -18.616 1.00 0.00 C ATOM 335 CD LYS A 109 33.369 -6.498 -19.643 1.00 0.00 C ATOM 336 CE LYS A 109 33.967 -6.014 -20.964 1.00 0.00 C ATOM 337 NZ LYS A 109 32.932 -5.938 -22.011 1.00 0.00 N ATOM 0 H LYS A 109 32.549 -9.351 -16.814 1.00 0.00 H new ATOM 0 HA LYS A 109 35.269 -8.951 -17.808 1.00 0.00 H new ATOM 0 HB2 LYS A 109 32.806 -7.453 -17.468 1.00 0.00 H new ATOM 0 HB3 LYS A 109 34.040 -6.674 -16.499 1.00 0.00 H new ATOM 0 HG2 LYS A 109 34.961 -5.762 -18.376 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.255 -7.362 -19.028 1.00 0.00 H new ATOM 0 HD2 LYS A 109 32.823 -7.428 -19.800 1.00 0.00 H new ATOM 0 HD3 LYS A 109 32.652 -5.767 -19.268 1.00 0.00 H new ATOM 0 HE2 LYS A 109 34.422 -5.033 -20.825 1.00 0.00 H new ATOM 0 HE3 LYS A 109 34.760 -6.692 -21.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 33.369 -5.656 -22.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 32.481 -6.868 -22.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 32.215 -5.235 -21.740 1.00 0.00 H new ATOM 351 N TYR A 110 34.486 -8.371 -14.630 1.00 0.00 N ATOM 352 CA TYR A 110 35.051 -8.240 -13.292 1.00 0.00 C ATOM 353 C TYR A 110 35.189 -9.594 -12.598 1.00 0.00 C ATOM 354 O TYR A 110 35.976 -9.722 -11.661 1.00 0.00 O ATOM 355 CB TYR A 110 34.151 -7.319 -12.466 1.00 0.00 C ATOM 356 CG TYR A 110 34.108 -5.902 -12.991 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.193 -5.036 -12.763 1.00 0.00 C ATOM 358 CD2 TYR A 110 32.989 -5.450 -13.713 1.00 0.00 C ATOM 359 CE1 TYR A 110 35.156 -3.721 -13.253 1.00 0.00 C ATOM 360 CE2 TYR A 110 32.955 -4.136 -14.203 1.00 0.00 C ATOM 361 CZ TYR A 110 34.037 -3.270 -13.971 1.00 0.00 C ATOM 362 OH TYR A 110 34.000 -1.991 -14.439 1.00 0.00 O ATOM 0 H TYR A 110 33.483 -8.192 -14.676 1.00 0.00 H new ATOM 0 HA TYR A 110 36.052 -7.817 -13.379 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.140 -7.726 -12.453 1.00 0.00 H new ATOM 0 HB3 TYR A 110 34.503 -7.307 -11.434 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.054 -5.383 -12.211 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.156 -6.114 -13.890 1.00 0.00 H new ATOM 0 HE1 TYR A 110 35.989 -3.056 -13.078 1.00 0.00 H new ATOM 0 HE2 TYR A 110 32.096 -3.790 -14.759 1.00 0.00 H new ATOM 0 HH TYR A 110 33.165 -1.563 -14.156 1.00 0.00 H new ATOM 372 N GLY A 111 34.424 -10.595 -13.039 1.00 0.00 N ATOM 373 CA GLY A 111 34.440 -11.909 -12.415 1.00 0.00 C ATOM 374 C GLY A 111 33.301 -12.000 -11.399 1.00 0.00 C ATOM 375 O GLY A 111 32.551 -11.037 -11.222 1.00 0.00 O ATOM 0 H GLY A 111 33.785 -10.514 -13.830 1.00 0.00 H new ATOM 0 HA2 GLY A 111 34.330 -12.685 -13.172 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.397 -12.078 -11.922 1.00 0.00 H new ATOM 379 N PRO A 112 33.166 -13.153 -10.725 1.00 0.00 N ATOM 380 CA PRO A 112 32.144 -13.354 -9.720 1.00 0.00 C ATOM 381 C PRO A 112 32.344 -12.379 -8.556 1.00 0.00 C ATOM 382 O PRO A 112 33.424 -11.808 -8.399 1.00 0.00 O ATOM 383 CB PRO A 112 32.287 -14.812 -9.268 1.00 0.00 C ATOM 384 CG PRO A 112 33.546 -15.366 -9.947 1.00 0.00 C ATOM 385 CD PRO A 112 34.024 -14.296 -10.930 1.00 0.00 C ATOM 0 HA PRO A 112 31.143 -13.165 -10.108 1.00 0.00 H new ATOM 0 HB2 PRO A 112 32.374 -14.873 -8.183 1.00 0.00 H new ATOM 0 HB3 PRO A 112 31.409 -15.392 -9.551 1.00 0.00 H new ATOM 0 HG2 PRO A 112 34.318 -15.586 -9.210 1.00 0.00 H new ATOM 0 HG3 PRO A 112 33.326 -16.298 -10.467 1.00 0.00 H new ATOM 0 HD2 PRO A 112 35.067 -14.038 -10.748 1.00 0.00 H new ATOM 0 HD3 PRO A 112 33.958 -14.653 -11.958 1.00 0.00 H new ATOM 393 N LYS A 113 31.294 -12.192 -7.744 1.00 0.00 N ATOM 394 CA LYS A 113 31.329 -11.279 -6.604 1.00 0.00 C ATOM 395 C LYS A 113 31.558 -9.846 -7.100 1.00 0.00 C ATOM 396 O LYS A 113 31.169 -9.514 -8.217 1.00 0.00 O ATOM 397 CB LYS A 113 32.413 -11.713 -5.594 1.00 0.00 C ATOM 398 CG LYS A 113 32.298 -13.215 -5.281 1.00 0.00 C ATOM 399 CD LYS A 113 30.893 -13.545 -4.763 1.00 0.00 C ATOM 400 CE LYS A 113 30.854 -14.996 -4.276 1.00 0.00 C ATOM 401 NZ LYS A 113 29.506 -15.359 -3.804 1.00 0.00 N ATOM 0 H LYS A 113 30.401 -12.670 -7.863 1.00 0.00 H new ATOM 0 HA LYS A 113 30.372 -11.312 -6.084 1.00 0.00 H new ATOM 0 HB2 LYS A 113 33.401 -11.496 -5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 113 32.311 -11.136 -4.675 1.00 0.00 H new ATOM 0 HG2 LYS A 113 32.508 -13.797 -6.178 1.00 0.00 H new ATOM 0 HG3 LYS A 113 33.043 -13.496 -4.536 1.00 0.00 H new ATOM 0 HD2 LYS A 113 30.626 -12.870 -3.950 1.00 0.00 H new ATOM 0 HD3 LYS A 113 30.158 -13.396 -5.554 1.00 0.00 H new ATOM 0 HE2 LYS A 113 31.152 -15.663 -5.085 1.00 0.00 H new ATOM 0 HE3 LYS A 113 31.574 -15.132 -3.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 29.484 -16.369 -3.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 29.268 -14.794 -2.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 28.812 -15.170 -4.556 1.00 0.00 H new ATOM 415 N ARG A 114 32.179 -8.997 -6.263 1.00 0.00 N ATOM 416 CA ARG A 114 32.434 -7.596 -6.604 1.00 0.00 C ATOM 417 C ARG A 114 31.124 -6.919 -7.013 1.00 0.00 C ATOM 418 O ARG A 114 31.077 -6.166 -7.988 1.00 0.00 O ATOM 419 CB ARG A 114 33.477 -7.507 -7.730 1.00 0.00 C ATOM 420 CG ARG A 114 34.799 -8.137 -7.274 1.00 0.00 C ATOM 421 CD ARG A 114 35.789 -8.163 -8.444 1.00 0.00 C ATOM 422 NE ARG A 114 36.069 -6.807 -8.943 1.00 0.00 N ATOM 423 CZ ARG A 114 36.932 -5.961 -8.350 1.00 0.00 C ATOM 424 NH1 ARG A 114 37.566 -6.319 -7.223 1.00 0.00 N ATOM 425 NH2 ARG A 114 37.160 -4.756 -8.888 1.00 0.00 N ATOM 0 H ARG A 114 32.515 -9.265 -5.338 1.00 0.00 H new ATOM 0 HA ARG A 114 32.834 -7.077 -5.733 1.00 0.00 H new ATOM 0 HB2 ARG A 114 33.109 -8.019 -8.619 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.638 -6.465 -8.006 1.00 0.00 H new ATOM 0 HG2 ARG A 114 35.217 -7.568 -6.444 1.00 0.00 H new ATOM 0 HG3 ARG A 114 34.624 -9.150 -6.910 1.00 0.00 H new ATOM 0 HD2 ARG A 114 36.719 -8.634 -8.125 1.00 0.00 H new ATOM 0 HD3 ARG A 114 35.384 -8.773 -9.252 1.00 0.00 H new ATOM 0 HE ARG A 114 35.583 -6.492 -9.783 1.00 0.00 H new ATOM 0 HH11 ARG A 114 37.395 -7.236 -6.811 1.00 0.00 H new ATOM 0 HH12 ARG A 114 38.219 -5.674 -6.778 1.00 0.00 H new ATOM 0 HH21 ARG A 114 36.680 -4.481 -9.745 1.00 0.00 H new ATOM 0 HH22 ARG A 114 37.813 -4.113 -8.441 1.00 0.00 H new ATOM 439 N TRP A 115 30.061 -7.197 -6.257 1.00 0.00 N ATOM 440 CA TRP A 115 28.743 -6.661 -6.537 1.00 0.00 C ATOM 441 C TRP A 115 28.717 -5.147 -6.358 1.00 0.00 C ATOM 442 O TRP A 115 27.888 -4.474 -6.960 1.00 0.00 O ATOM 443 CB TRP A 115 27.735 -7.357 -5.628 1.00 0.00 C ATOM 444 CG TRP A 115 27.727 -8.840 -5.800 1.00 0.00 C ATOM 445 CD1 TRP A 115 27.985 -9.748 -4.846 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.493 -9.609 -7.014 1.00 0.00 C ATOM 447 NE1 TRP A 115 27.929 -11.024 -5.355 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.633 -10.998 -6.707 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.184 -9.276 -8.352 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.484 -11.994 -7.676 1.00 0.00 C ATOM 451 CZ3 TRP A 115 27.031 -10.276 -9.329 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.190 -11.627 -8.996 1.00 0.00 C ATOM 0 H TRP A 115 30.097 -7.800 -5.435 1.00 0.00 H new ATOM 0 HA TRP A 115 28.478 -6.853 -7.577 1.00 0.00 H new ATOM 0 HB2 TRP A 115 27.964 -7.118 -4.589 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.738 -6.967 -5.833 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.207 -9.509 -3.817 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.084 -11.873 -4.811 1.00 0.00 H new ATOM 0 HE3 TRP A 115 27.064 -8.239 -8.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 27.594 -13.035 -7.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.789 -10.000 -10.345 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.086 -12.386 -9.757 1.00 0.00 H new ATOM 463 N SER A 116 29.627 -4.610 -5.543 1.00 0.00 N ATOM 464 CA SER A 116 29.712 -3.176 -5.330 1.00 0.00 C ATOM 465 C SER A 116 30.100 -2.474 -6.636 1.00 0.00 C ATOM 466 O SER A 116 29.712 -1.331 -6.861 1.00 0.00 O ATOM 467 CB SER A 116 30.741 -2.890 -4.236 1.00 0.00 C ATOM 468 OG SER A 116 30.462 -3.688 -3.104 1.00 0.00 O ATOM 0 H SER A 116 30.314 -5.154 -5.021 1.00 0.00 H new ATOM 0 HA SER A 116 28.742 -2.793 -5.013 1.00 0.00 H new ATOM 0 HB2 SER A 116 31.745 -3.100 -4.603 1.00 0.00 H new ATOM 0 HB3 SER A 116 30.715 -1.835 -3.965 1.00 0.00 H new ATOM 0 HG SER A 116 31.123 -3.505 -2.404 1.00 0.00 H new ATOM 474 N VAL A 117 30.867 -3.167 -7.493 1.00 0.00 N ATOM 475 CA VAL A 117 31.309 -2.616 -8.768 1.00 0.00 C ATOM 476 C VAL A 117 30.249 -2.881 -9.839 1.00 0.00 C ATOM 477 O VAL A 117 29.908 -1.990 -10.612 1.00 0.00 O ATOM 478 CB VAL A 117 32.653 -3.252 -9.159 1.00 0.00 C ATOM 479 CG1 VAL A 117 33.152 -2.643 -10.472 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.687 -2.997 -8.057 1.00 0.00 C ATOM 0 H VAL A 117 31.192 -4.118 -7.316 1.00 0.00 H new ATOM 0 HA VAL A 117 31.445 -1.538 -8.679 1.00 0.00 H new ATOM 0 HB VAL A 117 32.514 -4.326 -9.286 1.00 0.00 H new ATOM 0 HG11 VAL A 117 34.105 -3.097 -10.745 1.00 0.00 H new ATOM 0 HG12 VAL A 117 32.422 -2.829 -11.260 1.00 0.00 H new ATOM 0 HG13 VAL A 117 33.285 -1.568 -10.347 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.638 -3.450 -8.338 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.821 -1.923 -7.925 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.339 -3.437 -7.122 1.00 0.00 H new ATOM 490 N ILE A 118 29.733 -4.113 -9.882 1.00 0.00 N ATOM 491 CA ILE A 118 28.724 -4.501 -10.860 1.00 0.00 C ATOM 492 C ILE A 118 27.474 -3.624 -10.698 1.00 0.00 C ATOM 493 O ILE A 118 26.951 -3.105 -11.686 1.00 0.00 O ATOM 494 CB ILE A 118 28.405 -5.995 -10.676 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.628 -6.828 -11.102 1.00 0.00 C ATOM 496 CG2 ILE A 118 27.192 -6.388 -11.531 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.550 -8.230 -10.504 1.00 0.00 C ATOM 0 H ILE A 118 30.003 -4.861 -9.243 1.00 0.00 H new ATOM 0 HA ILE A 118 29.096 -4.350 -11.873 1.00 0.00 H new ATOM 0 HB ILE A 118 28.173 -6.186 -9.628 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.672 -6.891 -12.189 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.544 -6.336 -10.774 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.977 -7.447 -11.392 1.00 0.00 H new ATOM 0 HG22 ILE A 118 26.327 -5.799 -11.227 1.00 0.00 H new ATOM 0 HG23 ILE A 118 27.410 -6.197 -12.582 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.421 -8.807 -10.814 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.529 -8.161 -9.416 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.644 -8.725 -10.854 1.00 0.00 H new ATOM 509 N ALA A 119 27.002 -3.452 -9.455 1.00 0.00 N ATOM 510 CA ALA A 119 25.826 -2.632 -9.177 1.00 0.00 C ATOM 511 C ALA A 119 26.088 -1.181 -9.584 1.00 0.00 C ATOM 512 O ALA A 119 25.174 -0.481 -10.015 1.00 0.00 O ATOM 513 CB ALA A 119 25.487 -2.719 -7.690 1.00 0.00 C ATOM 0 H ALA A 119 27.422 -3.874 -8.627 1.00 0.00 H new ATOM 0 HA ALA A 119 24.980 -3.002 -9.756 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.609 -2.107 -7.481 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.279 -3.755 -7.424 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.331 -2.356 -7.103 1.00 0.00 H new ATOM 519 N LYS A 120 27.346 -0.737 -9.447 1.00 0.00 N ATOM 520 CA LYS A 120 27.747 0.618 -9.811 1.00 0.00 C ATOM 521 C LYS A 120 27.479 0.892 -11.294 1.00 0.00 C ATOM 522 O LYS A 120 27.422 2.053 -11.700 1.00 0.00 O ATOM 523 CB LYS A 120 29.243 0.801 -9.498 1.00 0.00 C ATOM 524 CG LYS A 120 29.451 1.958 -8.518 1.00 0.00 C ATOM 525 CD LYS A 120 29.353 3.287 -9.277 1.00 0.00 C ATOM 526 CE LYS A 120 29.715 4.454 -8.354 1.00 0.00 C ATOM 527 NZ LYS A 120 31.131 4.400 -7.944 1.00 0.00 N ATOM 0 H LYS A 120 28.107 -1.309 -9.082 1.00 0.00 H new ATOM 0 HA LYS A 120 27.159 1.329 -9.230 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.646 -0.119 -9.074 1.00 0.00 H new ATOM 0 HB3 LYS A 120 29.792 0.995 -10.420 1.00 0.00 H new ATOM 0 HG2 LYS A 120 28.701 1.921 -7.728 1.00 0.00 H new ATOM 0 HG3 LYS A 120 30.425 1.872 -8.037 1.00 0.00 H new ATOM 0 HD2 LYS A 120 30.023 3.273 -10.137 1.00 0.00 H new ATOM 0 HD3 LYS A 120 28.342 3.420 -9.663 1.00 0.00 H new ATOM 0 HE2 LYS A 120 29.519 5.397 -8.864 1.00 0.00 H new ATOM 0 HE3 LYS A 120 29.078 4.431 -7.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 31.425 5.331 -7.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 31.248 3.689 -7.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 31.720 4.142 -8.762 1.00 0.00 H new ATOM 541 N HIS A 121 27.324 -0.166 -12.102 1.00 0.00 N ATOM 542 CA HIS A 121 27.092 -0.022 -13.530 1.00 0.00 C ATOM 543 C HIS A 121 25.641 -0.354 -13.845 1.00 0.00 C ATOM 544 O HIS A 121 24.994 0.356 -14.616 1.00 0.00 O ATOM 545 CB HIS A 121 28.057 -0.937 -14.281 1.00 0.00 C ATOM 546 CG HIS A 121 29.480 -0.740 -13.825 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.994 0.509 -13.489 1.00 0.00 N ATOM 548 CD2 HIS A 121 30.515 -1.612 -13.618 1.00 0.00 C ATOM 549 CE1 HIS A 121 31.272 0.317 -13.114 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.656 -0.960 -13.171 1.00 0.00 N ATOM 0 H HIS A 121 27.357 -1.133 -11.780 1.00 0.00 H new ATOM 0 HA HIS A 121 27.274 1.005 -13.848 1.00 0.00 H new ATOM 0 HB2 HIS A 121 27.766 -1.976 -14.128 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.987 -0.740 -15.351 1.00 0.00 H new ATOM 0 HD1 HIS A 121 29.497 1.399 -13.521 1.00 0.00 H new ATOM 0 HD2 HIS A 121 30.451 -2.678 -13.782 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.924 1.118 -12.798 1.00 0.00 H new ATOM 558 N LEU A 122 25.125 -1.427 -13.239 1.00 0.00 N ATOM 559 CA LEU A 122 23.744 -1.829 -13.429 1.00 0.00 C ATOM 560 C LEU A 122 22.857 -0.996 -12.500 1.00 0.00 C ATOM 561 O LEU A 122 22.249 -1.522 -11.567 1.00 0.00 O ATOM 562 CB LEU A 122 23.619 -3.332 -13.145 1.00 0.00 C ATOM 563 CG LEU A 122 22.298 -3.883 -13.695 1.00 0.00 C ATOM 564 CD1 LEU A 122 22.232 -3.705 -15.217 1.00 0.00 C ATOM 565 CD2 LEU A 122 22.219 -5.367 -13.360 1.00 0.00 C ATOM 0 H LEU A 122 25.654 -2.031 -12.610 1.00 0.00 H new ATOM 0 HA LEU A 122 23.420 -1.653 -14.455 1.00 0.00 H new ATOM 0 HB2 LEU A 122 24.456 -3.863 -13.598 1.00 0.00 H new ATOM 0 HB3 LEU A 122 23.673 -3.509 -12.071 1.00 0.00 H new ATOM 0 HG LEU A 122 21.466 -3.341 -13.246 1.00 0.00 H new ATOM 0 HD11 LEU A 122 21.287 -4.102 -15.589 1.00 0.00 H new ATOM 0 HD12 LEU A 122 22.302 -2.645 -15.463 1.00 0.00 H new ATOM 0 HD13 LEU A 122 23.059 -4.241 -15.682 1.00 0.00 H new ATOM 0 HD21 LEU A 122 21.285 -5.777 -13.744 1.00 0.00 H new ATOM 0 HD22 LEU A 122 23.060 -5.889 -13.818 1.00 0.00 H new ATOM 0 HD23 LEU A 122 22.256 -5.498 -12.279 1.00 0.00 H new ATOM 577 N LYS A 123 22.799 0.317 -12.766 1.00 0.00 N ATOM 578 CA LYS A 123 22.023 1.250 -11.962 1.00 0.00 C ATOM 579 C LYS A 123 20.596 0.736 -11.786 1.00 0.00 C ATOM 580 O LYS A 123 19.950 0.344 -12.757 1.00 0.00 O ATOM 581 CB LYS A 123 22.025 2.625 -12.638 1.00 0.00 C ATOM 582 CG LYS A 123 23.433 3.233 -12.570 1.00 0.00 C ATOM 583 CD LYS A 123 23.513 4.483 -13.456 1.00 0.00 C ATOM 584 CE LYS A 123 22.616 5.590 -12.891 1.00 0.00 C ATOM 585 NZ LYS A 123 22.824 6.858 -13.613 1.00 0.00 N ATOM 0 H LYS A 123 23.291 0.754 -13.545 1.00 0.00 H new ATOM 0 HA LYS A 123 22.473 1.340 -10.974 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.709 2.531 -13.677 1.00 0.00 H new ATOM 0 HB3 LYS A 123 21.310 3.284 -12.146 1.00 0.00 H new ATOM 0 HG2 LYS A 123 23.676 3.492 -11.540 1.00 0.00 H new ATOM 0 HG3 LYS A 123 24.170 2.499 -12.896 1.00 0.00 H new ATOM 0 HD2 LYS A 123 24.544 4.833 -13.512 1.00 0.00 H new ATOM 0 HD3 LYS A 123 23.204 4.238 -14.472 1.00 0.00 H new ATOM 0 HE2 LYS A 123 21.571 5.291 -12.968 1.00 0.00 H new ATOM 0 HE3 LYS A 123 22.830 5.731 -11.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 22.205 7.591 -13.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 23.817 7.153 -13.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 22.597 6.726 -14.619 1.00 0.00 H new ATOM 599 N GLY A 124 20.116 0.736 -10.536 1.00 0.00 N ATOM 600 CA GLY A 124 18.785 0.255 -10.205 1.00 0.00 C ATOM 601 C GLY A 124 18.897 -1.063 -9.448 1.00 0.00 C ATOM 602 O GLY A 124 18.235 -1.256 -8.427 1.00 0.00 O ATOM 0 H GLY A 124 20.646 1.071 -9.731 1.00 0.00 H new ATOM 0 HA2 GLY A 124 18.260 0.993 -9.598 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.200 0.116 -11.114 1.00 0.00 H new ATOM 606 N ARG A 125 19.747 -1.967 -9.950 1.00 0.00 N ATOM 607 CA ARG A 125 19.962 -3.260 -9.328 1.00 0.00 C ATOM 608 C ARG A 125 21.134 -3.164 -8.364 1.00 0.00 C ATOM 609 O ARG A 125 22.289 -3.263 -8.772 1.00 0.00 O ATOM 610 CB ARG A 125 20.242 -4.308 -10.406 1.00 0.00 C ATOM 611 CG ARG A 125 18.996 -4.530 -11.269 1.00 0.00 C ATOM 612 CD ARG A 125 17.868 -5.126 -10.420 1.00 0.00 C ATOM 613 NE ARG A 125 16.894 -5.806 -11.269 1.00 0.00 N ATOM 614 CZ ARG A 125 15.797 -6.418 -10.805 1.00 0.00 C ATOM 615 NH1 ARG A 125 15.606 -6.572 -9.488 1.00 0.00 N ATOM 616 NH2 ARG A 125 14.894 -6.878 -11.669 1.00 0.00 N ATOM 0 H ARG A 125 20.298 -1.815 -10.795 1.00 0.00 H new ATOM 0 HA ARG A 125 19.071 -3.558 -8.775 1.00 0.00 H new ATOM 0 HB2 ARG A 125 21.073 -3.982 -11.032 1.00 0.00 H new ATOM 0 HB3 ARG A 125 20.542 -5.247 -9.941 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.673 -3.585 -11.705 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.232 -5.199 -12.097 1.00 0.00 H new ATOM 0 HD2 ARG A 125 18.282 -5.828 -9.696 1.00 0.00 H new ATOM 0 HD3 ARG A 125 17.376 -4.336 -9.852 1.00 0.00 H new ATOM 0 HE ARG A 125 17.059 -5.815 -12.276 1.00 0.00 H new ATOM 0 HH11 ARG A 125 16.300 -6.221 -8.828 1.00 0.00 H new ATOM 0 HH12 ARG A 125 14.767 -7.040 -9.146 1.00 0.00 H new ATOM 0 HH21 ARG A 125 15.042 -6.762 -12.672 1.00 0.00 H new ATOM 0 HH22 ARG A 125 14.054 -7.346 -11.328 1.00 0.00 H new ATOM 630 N ILE A 126 20.831 -2.972 -7.081 1.00 0.00 N ATOM 631 CA ILE A 126 21.855 -2.875 -6.055 1.00 0.00 C ATOM 632 C ILE A 126 22.548 -4.231 -5.885 1.00 0.00 C ATOM 633 O ILE A 126 22.146 -5.225 -6.499 1.00 0.00 O ATOM 634 CB ILE A 126 21.226 -2.396 -4.735 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.047 -3.305 -4.348 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.738 -0.951 -4.900 1.00 0.00 C ATOM 637 CD1 ILE A 126 19.664 -3.072 -2.884 1.00 0.00 C ATOM 0 H ILE A 126 19.877 -2.881 -6.731 1.00 0.00 H new ATOM 0 HA ILE A 126 22.608 -2.146 -6.354 1.00 0.00 H new ATOM 0 HB ILE A 126 21.975 -2.440 -3.944 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.192 -3.100 -4.993 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.318 -4.350 -4.500 1.00 0.00 H new ATOM 0 HG21 ILE A 126 20.292 -0.609 -3.966 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.581 -0.309 -5.156 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.994 -0.907 -5.695 1.00 0.00 H new ATOM 0 HD11 ILE A 126 18.828 -3.720 -2.619 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.517 -3.299 -2.244 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.374 -2.031 -2.745 1.00 0.00 H new ATOM 649 N GLY A 127 23.593 -4.264 -5.051 1.00 0.00 N ATOM 650 CA GLY A 127 24.363 -5.476 -4.808 1.00 0.00 C ATOM 651 C GLY A 127 23.454 -6.643 -4.417 1.00 0.00 C ATOM 652 O GLY A 127 23.728 -7.784 -4.778 1.00 0.00 O ATOM 0 H GLY A 127 23.923 -3.452 -4.530 1.00 0.00 H new ATOM 0 HA2 GLY A 127 24.928 -5.736 -5.703 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.088 -5.296 -4.015 1.00 0.00 H new ATOM 656 N LYS A 128 22.374 -6.355 -3.677 1.00 0.00 N ATOM 657 CA LYS A 128 21.440 -7.382 -3.239 1.00 0.00 C ATOM 658 C LYS A 128 20.827 -8.094 -4.448 1.00 0.00 C ATOM 659 O LYS A 128 20.832 -9.321 -4.504 1.00 0.00 O ATOM 660 CB LYS A 128 20.351 -6.733 -2.369 1.00 0.00 C ATOM 661 CG LYS A 128 19.218 -7.729 -2.067 1.00 0.00 C ATOM 662 CD LYS A 128 19.759 -8.941 -1.299 1.00 0.00 C ATOM 663 CE LYS A 128 18.593 -9.814 -0.820 1.00 0.00 C ATOM 664 NZ LYS A 128 17.820 -10.348 -1.957 1.00 0.00 N ATOM 0 H LYS A 128 22.132 -5.412 -3.372 1.00 0.00 H new ATOM 0 HA LYS A 128 21.967 -8.130 -2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 128 20.789 -6.381 -1.435 1.00 0.00 H new ATOM 0 HB3 LYS A 128 19.945 -5.860 -2.880 1.00 0.00 H new ATOM 0 HG2 LYS A 128 18.440 -7.238 -1.482 1.00 0.00 H new ATOM 0 HG3 LYS A 128 18.757 -8.057 -2.998 1.00 0.00 H new ATOM 0 HD2 LYS A 128 20.422 -9.523 -1.939 1.00 0.00 H new ATOM 0 HD3 LYS A 128 20.351 -8.608 -0.446 1.00 0.00 H new ATOM 0 HE2 LYS A 128 18.976 -10.639 -0.219 1.00 0.00 H new ATOM 0 HE3 LYS A 128 17.938 -9.228 -0.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 17.610 -11.353 -1.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 16.929 -9.819 -2.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 18.375 -10.249 -2.831 1.00 0.00 H new ATOM 678 N GLN A 129 20.293 -7.327 -5.409 1.00 0.00 N ATOM 679 CA GLN A 129 19.652 -7.910 -6.582 1.00 0.00 C ATOM 680 C GLN A 129 20.682 -8.631 -7.444 1.00 0.00 C ATOM 681 O GLN A 129 20.441 -9.750 -7.883 1.00 0.00 O ATOM 682 CB GLN A 129 18.951 -6.826 -7.411 1.00 0.00 C ATOM 683 CG GLN A 129 18.017 -5.972 -6.545 1.00 0.00 C ATOM 684 CD GLN A 129 17.144 -6.830 -5.634 1.00 0.00 C ATOM 685 OE1 GLN A 129 17.123 -6.629 -4.423 1.00 0.00 O ATOM 686 NE2 GLN A 129 16.422 -7.786 -6.218 1.00 0.00 N ATOM 0 H GLN A 129 20.295 -6.307 -5.392 1.00 0.00 H new ATOM 0 HA GLN A 129 18.906 -8.628 -6.240 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.698 -6.187 -7.882 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.379 -7.293 -8.213 1.00 0.00 H new ATOM 0 HG2 GLN A 129 18.609 -5.286 -5.939 1.00 0.00 H new ATOM 0 HG3 GLN A 129 17.382 -5.363 -7.188 1.00 0.00 H new ATOM 0 HE21 GLN A 129 16.471 -7.917 -7.228 1.00 0.00 H new ATOM 0 HE22 GLN A 129 15.820 -8.387 -5.655 1.00 0.00 H new ATOM 695 N CYS A 130 21.827 -7.985 -7.694 1.00 0.00 N ATOM 696 CA CYS A 130 22.876 -8.572 -8.521 1.00 0.00 C ATOM 697 C CYS A 130 23.291 -9.928 -7.947 1.00 0.00 C ATOM 698 O CYS A 130 23.340 -10.922 -8.672 1.00 0.00 O ATOM 699 CB CYS A 130 24.078 -7.626 -8.592 1.00 0.00 C ATOM 700 SG CYS A 130 23.609 -6.124 -9.491 1.00 0.00 S ATOM 0 H CYS A 130 22.046 -7.056 -7.334 1.00 0.00 H new ATOM 0 HA CYS A 130 22.496 -8.723 -9.531 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.414 -7.371 -7.587 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.912 -8.117 -9.093 1.00 0.00 H new ATOM 0 HG CYS A 130 23.043 -5.287 -8.673 1.00 0.00 H new ATOM 706 N ARG A 131 23.582 -9.965 -6.641 1.00 0.00 N ATOM 707 CA ARG A 131 23.973 -11.192 -5.967 1.00 0.00 C ATOM 708 C ARG A 131 22.853 -12.223 -6.083 1.00 0.00 C ATOM 709 O ARG A 131 23.083 -13.333 -6.546 1.00 0.00 O ATOM 710 CB ARG A 131 24.271 -10.886 -4.493 1.00 0.00 C ATOM 711 CG ARG A 131 24.777 -12.150 -3.781 1.00 0.00 C ATOM 712 CD ARG A 131 24.402 -12.097 -2.299 1.00 0.00 C ATOM 713 NE ARG A 131 24.966 -10.904 -1.653 1.00 0.00 N ATOM 714 CZ ARG A 131 24.901 -10.685 -0.327 1.00 0.00 C ATOM 715 NH1 ARG A 131 24.283 -11.566 0.473 1.00 0.00 N ATOM 716 NH2 ARG A 131 25.457 -9.584 0.196 1.00 0.00 N ATOM 0 H ARG A 131 23.551 -9.147 -6.032 1.00 0.00 H new ATOM 0 HA ARG A 131 24.869 -11.600 -6.434 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.018 -10.096 -4.422 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.371 -10.518 -4.001 1.00 0.00 H new ATOM 0 HG2 ARG A 131 24.344 -13.037 -4.243 1.00 0.00 H new ATOM 0 HG3 ARG A 131 25.859 -12.231 -3.889 1.00 0.00 H new ATOM 0 HD2 ARG A 131 23.317 -12.092 -2.195 1.00 0.00 H new ATOM 0 HD3 ARG A 131 24.766 -12.993 -1.796 1.00 0.00 H new ATOM 0 HE ARG A 131 25.429 -10.208 -2.238 1.00 0.00 H new ATOM 0 HH11 ARG A 131 23.860 -12.405 0.077 1.00 0.00 H new ATOM 0 HH12 ARG A 131 24.236 -11.397 1.478 1.00 0.00 H new ATOM 0 HH21 ARG A 131 25.929 -8.913 -0.411 1.00 0.00 H new ATOM 0 HH22 ARG A 131 25.409 -9.416 1.201 1.00 0.00 H new ATOM 730 N GLU A 132 21.644 -11.841 -5.650 1.00 0.00 N ATOM 731 CA GLU A 132 20.480 -12.716 -5.669 1.00 0.00 C ATOM 732 C GLU A 132 20.338 -13.385 -7.033 1.00 0.00 C ATOM 733 O GLU A 132 20.338 -14.611 -7.126 1.00 0.00 O ATOM 734 CB GLU A 132 19.241 -11.872 -5.321 1.00 0.00 C ATOM 735 CG GLU A 132 17.949 -12.675 -5.527 1.00 0.00 C ATOM 736 CD GLU A 132 17.260 -12.282 -6.834 1.00 0.00 C ATOM 737 OE1 GLU A 132 16.879 -11.093 -6.941 1.00 0.00 O ATOM 738 OE2 GLU A 132 17.127 -13.174 -7.697 1.00 0.00 O ATOM 0 H GLU A 132 21.452 -10.911 -5.277 1.00 0.00 H new ATOM 0 HA GLU A 132 20.591 -13.514 -4.934 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.304 -11.538 -4.285 1.00 0.00 H new ATOM 0 HB3 GLU A 132 19.220 -10.978 -5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 132 18.177 -13.741 -5.539 1.00 0.00 H new ATOM 0 HG3 GLU A 132 17.273 -12.503 -4.690 1.00 0.00 H new ATOM 745 N ARG A 133 20.219 -12.584 -8.087 1.00 0.00 N ATOM 746 CA ARG A 133 20.046 -13.105 -9.429 1.00 0.00 C ATOM 747 C ARG A 133 21.154 -14.102 -9.766 1.00 0.00 C ATOM 748 O ARG A 133 20.898 -15.106 -10.432 1.00 0.00 O ATOM 749 CB ARG A 133 20.043 -11.939 -10.428 1.00 0.00 C ATOM 750 CG ARG A 133 19.608 -12.421 -11.821 1.00 0.00 C ATOM 751 CD ARG A 133 18.155 -12.907 -11.784 1.00 0.00 C ATOM 752 NE ARG A 133 17.628 -13.091 -13.141 1.00 0.00 N ATOM 753 CZ ARG A 133 16.441 -13.668 -13.400 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.763 -14.278 -12.424 1.00 0.00 N ATOM 755 NH2 ARG A 133 15.935 -13.630 -14.636 1.00 0.00 N ATOM 0 H ARG A 133 20.240 -11.566 -8.032 1.00 0.00 H new ATOM 0 HA ARG A 133 19.094 -13.632 -9.490 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.368 -11.157 -10.081 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.038 -11.499 -10.484 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.709 -11.610 -12.542 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.260 -13.228 -12.155 1.00 0.00 H new ATOM 0 HD2 ARG A 133 18.096 -13.848 -11.236 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.540 -12.186 -11.246 1.00 0.00 H new ATOM 0 HE ARG A 133 18.190 -12.765 -13.927 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.145 -14.307 -11.479 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.863 -14.715 -12.624 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.449 -13.163 -15.383 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.035 -14.068 -14.832 1.00 0.00 H new ATOM 769 N TRP A 134 22.387 -13.823 -9.317 1.00 0.00 N ATOM 770 CA TRP A 134 23.523 -14.667 -9.638 1.00 0.00 C ATOM 771 C TRP A 134 23.802 -15.729 -8.560 1.00 0.00 C ATOM 772 O TRP A 134 24.878 -16.325 -8.565 1.00 0.00 O ATOM 773 CB TRP A 134 24.758 -13.797 -9.850 1.00 0.00 C ATOM 774 CG TRP A 134 25.780 -14.445 -10.721 1.00 0.00 C ATOM 775 CD1 TRP A 134 26.948 -14.971 -10.315 1.00 0.00 C ATOM 776 CD2 TRP A 134 25.720 -14.690 -12.153 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.625 -15.530 -11.368 1.00 0.00 N ATOM 778 CE2 TRP A 134 26.904 -15.388 -12.542 1.00 0.00 C ATOM 779 CE3 TRP A 134 24.781 -14.403 -13.171 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.135 -15.785 -13.858 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.008 -14.805 -14.495 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.177 -15.501 -14.839 1.00 0.00 C ATOM 0 H TRP A 134 22.612 -13.018 -8.732 1.00 0.00 H new ATOM 0 HA TRP A 134 23.280 -15.207 -10.553 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.457 -12.849 -10.295 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.205 -13.567 -8.883 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.305 -14.955 -9.296 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.534 -15.987 -11.297 1.00 0.00 H new ATOM 0 HE3 TRP A 134 23.876 -13.867 -12.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.044 -16.307 -14.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.277 -14.577 -15.257 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.338 -15.817 -15.859 1.00 0.00 H new ATOM 793 N HIS A 135 22.857 -15.980 -7.644 1.00 0.00 N ATOM 794 CA HIS A 135 23.054 -16.995 -6.605 1.00 0.00 C ATOM 795 C HIS A 135 21.732 -17.689 -6.273 1.00 0.00 C ATOM 796 O HIS A 135 21.542 -18.174 -5.159 1.00 0.00 O ATOM 797 CB HIS A 135 23.689 -16.350 -5.365 1.00 0.00 C ATOM 798 CG HIS A 135 25.183 -16.205 -5.505 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.044 -17.296 -5.458 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.002 -15.119 -5.700 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.291 -16.816 -5.618 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.339 -15.490 -5.769 1.00 0.00 N ATOM 0 H HIS A 135 21.958 -15.499 -7.602 1.00 0.00 H new ATOM 0 HA HIS A 135 23.735 -17.762 -6.973 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.244 -15.369 -5.199 1.00 0.00 H new ATOM 0 HB3 HIS A 135 23.464 -16.955 -4.487 1.00 0.00 H new ATOM 0 HD1 HIS A 135 25.781 -18.273 -5.327 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.650 -14.102 -5.789 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.170 -17.444 -5.624 1.00 0.00 H new ATOM 810 N ASN A 136 20.829 -17.749 -7.257 1.00 0.00 N ATOM 811 CA ASN A 136 19.551 -18.438 -7.116 1.00 0.00 C ATOM 812 C ASN A 136 19.406 -19.406 -8.266 1.00 0.00 C ATOM 813 O ASN A 136 19.287 -20.613 -8.065 1.00 0.00 O ATOM 814 CB ASN A 136 18.403 -17.426 -7.138 1.00 0.00 C ATOM 815 CG ASN A 136 18.174 -16.852 -5.756 1.00 0.00 C ATOM 816 OD1 ASN A 136 17.129 -17.074 -5.151 1.00 0.00 O ATOM 817 ND2 ASN A 136 19.154 -16.119 -5.255 1.00 0.00 N ATOM 0 H ASN A 136 20.968 -17.320 -8.172 1.00 0.00 H new ATOM 0 HA ASN A 136 19.518 -18.974 -6.167 1.00 0.00 H new ATOM 0 HB2 ASN A 136 18.632 -16.623 -7.838 1.00 0.00 H new ATOM 0 HB3 ASN A 136 17.492 -17.908 -7.493 1.00 0.00 H new ATOM 0 HD21 ASN A 136 19.060 -15.709 -4.326 1.00 0.00 H new ATOM 0 HD22 ASN A 136 20.003 -15.964 -5.798 1.00 0.00 H new ATOM 824 N HIS A 137 19.418 -18.853 -9.475 1.00 0.00 N ATOM 825 CA HIS A 137 19.286 -19.640 -10.700 1.00 0.00 C ATOM 826 C HIS A 137 20.590 -19.590 -11.504 1.00 0.00 C ATOM 827 O HIS A 137 21.248 -20.615 -11.674 1.00 0.00 O ATOM 828 CB HIS A 137 18.095 -19.127 -11.534 1.00 0.00 C ATOM 829 CG HIS A 137 17.420 -17.920 -10.933 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.267 -18.010 -10.162 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.717 -16.583 -10.969 1.00 0.00 C ATOM 832 CE1 HIS A 137 15.948 -16.753 -9.793 1.00 0.00 C ATOM 833 NE2 HIS A 137 16.795 -15.833 -10.254 1.00 0.00 N ATOM 0 H HIS A 137 19.519 -17.851 -9.635 1.00 0.00 H new ATOM 0 HA HIS A 137 19.092 -20.680 -10.438 1.00 0.00 H new ATOM 0 HB2 HIS A 137 18.443 -18.878 -12.536 1.00 0.00 H new ATOM 0 HB3 HIS A 137 17.363 -19.928 -11.640 1.00 0.00 H new ATOM 0 HD1 HIS A 137 15.760 -18.862 -9.922 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.565 -16.164 -11.490 1.00 0.00 H new ATOM 0 HE1 HIS A 137 15.089 -16.515 -9.183 1.00 0.00 H new ATOM 841 N LEU A 138 20.963 -18.404 -12.004 1.00 0.00 N ATOM 842 CA LEU A 138 22.174 -18.254 -12.802 1.00 0.00 C ATOM 843 C LEU A 138 23.405 -18.291 -11.905 1.00 0.00 C ATOM 844 O LEU A 138 23.552 -17.448 -11.030 1.00 0.00 O ATOM 845 CB LEU A 138 22.144 -16.916 -13.561 1.00 0.00 C ATOM 846 CG LEU A 138 21.302 -17.028 -14.840 1.00 0.00 C ATOM 847 CD1 LEU A 138 19.861 -16.609 -14.550 1.00 0.00 C ATOM 848 CD2 LEU A 138 21.883 -16.106 -15.914 1.00 0.00 C ATOM 0 H LEU A 138 20.440 -17.539 -11.867 1.00 0.00 H new ATOM 0 HA LEU A 138 22.221 -19.077 -13.515 1.00 0.00 H new ATOM 0 HB2 LEU A 138 21.733 -16.138 -12.918 1.00 0.00 H new ATOM 0 HB3 LEU A 138 23.160 -16.615 -13.816 1.00 0.00 H new ATOM 0 HG LEU A 138 21.318 -18.061 -15.189 1.00 0.00 H new ATOM 0 HD11 LEU A 138 19.268 -16.690 -15.461 1.00 0.00 H new ATOM 0 HD12 LEU A 138 19.440 -17.260 -13.784 1.00 0.00 H new ATOM 0 HD13 LEU A 138 19.846 -15.577 -14.198 1.00 0.00 H new ATOM 0 HD21 LEU A 138 21.286 -16.185 -16.823 1.00 0.00 H new ATOM 0 HD22 LEU A 138 21.867 -15.076 -15.557 1.00 0.00 H new ATOM 0 HD23 LEU A 138 22.911 -16.400 -16.128 1.00 0.00 H new ATOM 860 N ASN A 139 24.303 -19.255 -12.134 1.00 0.00 N ATOM 861 CA ASN A 139 25.556 -19.319 -11.396 1.00 0.00 C ATOM 862 C ASN A 139 26.579 -20.220 -12.113 1.00 0.00 C ATOM 863 O ASN A 139 27.186 -21.078 -11.477 1.00 0.00 O ATOM 864 CB ASN A 139 25.290 -19.814 -9.966 1.00 0.00 C ATOM 865 CG ASN A 139 26.517 -19.606 -9.076 1.00 0.00 C ATOM 866 OD1 ASN A 139 27.189 -20.563 -8.703 1.00 0.00 O ATOM 867 ND2 ASN A 139 26.806 -18.350 -8.736 1.00 0.00 N ATOM 0 H ASN A 139 24.181 -19.997 -12.823 1.00 0.00 H new ATOM 0 HA ASN A 139 25.985 -18.318 -11.348 1.00 0.00 H new ATOM 0 HB2 ASN A 139 24.437 -19.281 -9.546 1.00 0.00 H new ATOM 0 HB3 ASN A 139 25.026 -20.871 -9.987 1.00 0.00 H new ATOM 0 HD21 ASN A 139 27.613 -18.155 -8.143 1.00 0.00 H new ATOM 0 HD22 ASN A 139 26.220 -17.584 -9.068 1.00 0.00 H new ATOM 874 N PRO A 140 26.802 -20.025 -13.436 1.00 0.00 N ATOM 875 CA PRO A 140 27.811 -20.771 -14.163 1.00 0.00 C ATOM 876 C PRO A 140 29.182 -20.523 -13.530 1.00 0.00 C ATOM 877 O PRO A 140 29.971 -21.450 -13.365 1.00 0.00 O ATOM 878 CB PRO A 140 27.758 -20.255 -15.604 1.00 0.00 C ATOM 879 CG PRO A 140 26.823 -19.041 -15.599 1.00 0.00 C ATOM 880 CD PRO A 140 26.095 -19.061 -14.256 1.00 0.00 C ATOM 0 HA PRO A 140 27.635 -21.846 -14.135 1.00 0.00 H new ATOM 0 HB2 PRO A 140 28.752 -19.977 -15.953 1.00 0.00 H new ATOM 0 HB3 PRO A 140 27.388 -21.027 -16.279 1.00 0.00 H new ATOM 0 HG2 PRO A 140 27.387 -18.116 -15.721 1.00 0.00 H new ATOM 0 HG3 PRO A 140 26.114 -19.094 -16.425 1.00 0.00 H new ATOM 0 HD2 PRO A 140 26.102 -18.074 -13.793 1.00 0.00 H new ATOM 0 HD3 PRO A 140 25.051 -19.346 -14.382 1.00 0.00 H new ATOM 888 N GLU A 141 29.446 -19.257 -13.167 1.00 0.00 N ATOM 889 CA GLU A 141 30.698 -18.864 -12.530 1.00 0.00 C ATOM 890 C GLU A 141 30.618 -19.103 -11.011 1.00 0.00 C ATOM 891 O GLU A 141 31.414 -18.561 -10.254 1.00 0.00 O ATOM 892 CB GLU A 141 30.965 -17.375 -12.829 1.00 0.00 C ATOM 893 CG GLU A 141 31.638 -17.212 -14.200 1.00 0.00 C ATOM 894 CD GLU A 141 30.797 -17.822 -15.316 1.00 0.00 C ATOM 895 OE1 GLU A 141 29.780 -17.189 -15.669 1.00 0.00 O ATOM 896 OE2 GLU A 141 31.188 -18.909 -15.794 1.00 0.00 O ATOM 0 H GLU A 141 28.795 -18.485 -13.310 1.00 0.00 H new ATOM 0 HA GLU A 141 31.517 -19.465 -12.925 1.00 0.00 H new ATOM 0 HB2 GLU A 141 30.027 -16.821 -12.810 1.00 0.00 H new ATOM 0 HB3 GLU A 141 31.602 -16.951 -12.052 1.00 0.00 H new ATOM 0 HG2 GLU A 141 31.799 -16.153 -14.403 1.00 0.00 H new ATOM 0 HG3 GLU A 141 32.619 -17.686 -14.183 1.00 0.00 H new HETATM 903 N NH2 A 142 29.660 -19.912 -10.560 1.00 0.00 N TER 906 NH2 A 142