USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 460 hydrogens (2 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 110 TYR OH : rot -132:sc= 0.521 USER MOD Set 1.2: A 121 HIS : no HE2:sc= 0.102 K(o=0.62,f=-1.9) USER MOD Set 2.1: A 97 LYS NZ :NH3+ 149:sc= 1.19 (180deg=-0.154) USER MOD Set 2.2: A 101 GLN : amide:sc= 0.803 K(o=2,f=-7.5!) USER MOD Single : A 92 LYS NZ :NH3+ -170:sc= 1.25 (180deg=1.09) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0451 USER MOD Single : A 108 GLN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 168:sc= 1.05 (180deg=0.935) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ -174:sc= 1.23 (180deg=1.07) USER MOD Single : A 129 GLN : amide:sc= 0.179 K(o=0.18,f=-2.2) USER MOD Single : A 130 CYS SG : rot 84:sc=-0.00577 USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 136 ASN : amide:sc= 1.05 K(o=1.1,f=-0.31) USER MOD Single : A 137 HIS : no HD1:sc= -0.0915 X(o=-0.091,f=-0.0044) USER MOD Single : A 139 ASN : amide:sc= -0.0585 X(o=-0.059,f=0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 90 12.569 -1.547 -2.098 1.00 0.00 N ATOM 2 CA LEU A 90 13.596 -1.154 -3.081 1.00 0.00 C ATOM 3 C LEU A 90 13.120 -1.489 -4.491 1.00 0.00 C ATOM 4 O LEU A 90 12.071 -2.110 -4.659 1.00 0.00 O ATOM 5 CB LEU A 90 14.930 -1.862 -2.791 1.00 0.00 C ATOM 6 CG LEU A 90 15.390 -1.599 -1.346 1.00 0.00 C ATOM 7 CD1 LEU A 90 16.728 -2.301 -1.110 1.00 0.00 C ATOM 8 CD2 LEU A 90 15.562 -0.094 -1.109 1.00 0.00 C ATOM 0 HA LEU A 90 13.756 -0.079 -3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 90 14.819 -2.934 -2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 90 15.691 -1.512 -3.488 1.00 0.00 H new ATOM 0 HG LEU A 90 14.638 -1.983 -0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 90 17.059 -2.118 -0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 90 16.609 -3.373 -1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 90 17.471 -1.913 -1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 90 15.888 0.078 -0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 90 16.309 0.300 -1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 90 14.611 0.412 -1.277 1.00 0.00 H new ATOM 22 N ILE A 91 13.893 -1.076 -5.503 1.00 0.00 N ATOM 23 CA ILE A 91 13.550 -1.331 -6.896 1.00 0.00 C ATOM 24 C ILE A 91 13.908 -2.779 -7.243 1.00 0.00 C ATOM 25 O ILE A 91 14.880 -3.033 -7.955 1.00 0.00 O ATOM 26 CB ILE A 91 14.299 -0.333 -7.804 1.00 0.00 C ATOM 27 CG1 ILE A 91 14.118 1.114 -7.294 1.00 0.00 C ATOM 28 CG2 ILE A 91 13.774 -0.445 -9.242 1.00 0.00 C ATOM 29 CD1 ILE A 91 12.632 1.467 -7.146 1.00 0.00 C ATOM 0 H ILE A 91 14.764 -0.561 -5.375 1.00 0.00 H new ATOM 0 HA ILE A 91 12.480 -1.192 -7.054 1.00 0.00 H new ATOM 0 HB ILE A 91 15.361 -0.577 -7.783 1.00 0.00 H new ATOM 0 HG12 ILE A 91 14.620 1.229 -6.333 1.00 0.00 H new ATOM 0 HG13 ILE A 91 14.593 1.809 -7.987 1.00 0.00 H new ATOM 0 HG21 ILE A 91 14.306 0.261 -9.879 1.00 0.00 H new ATOM 0 HG22 ILE A 91 13.935 -1.458 -9.610 1.00 0.00 H new ATOM 0 HG23 ILE A 91 12.708 -0.218 -9.259 1.00 0.00 H new ATOM 0 HD11 ILE A 91 12.535 2.491 -6.786 1.00 0.00 H new ATOM 0 HD12 ILE A 91 12.138 1.375 -8.113 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.165 0.786 -6.434 1.00 0.00 H new ATOM 41 N LYS A 92 13.112 -3.726 -6.729 1.00 0.00 N ATOM 42 CA LYS A 92 13.329 -5.147 -6.964 1.00 0.00 C ATOM 43 C LYS A 92 12.263 -5.676 -7.913 1.00 0.00 C ATOM 44 O LYS A 92 11.596 -6.669 -7.627 1.00 0.00 O ATOM 45 CB LYS A 92 13.301 -5.879 -5.623 1.00 0.00 C ATOM 46 CG LYS A 92 14.016 -7.231 -5.743 1.00 0.00 C ATOM 47 CD LYS A 92 13.926 -7.979 -4.408 1.00 0.00 C ATOM 48 CE LYS A 92 14.968 -9.104 -4.362 1.00 0.00 C ATOM 49 NZ LYS A 92 14.730 -10.106 -5.417 1.00 0.00 N ATOM 0 H LYS A 92 12.304 -3.522 -6.141 1.00 0.00 H new ATOM 0 HA LYS A 92 14.301 -5.314 -7.429 1.00 0.00 H new ATOM 0 HB2 LYS A 92 13.784 -5.271 -4.858 1.00 0.00 H new ATOM 0 HB3 LYS A 92 12.270 -6.032 -5.305 1.00 0.00 H new ATOM 0 HG2 LYS A 92 13.562 -7.825 -6.536 1.00 0.00 H new ATOM 0 HG3 LYS A 92 15.060 -7.079 -6.017 1.00 0.00 H new ATOM 0 HD2 LYS A 92 14.091 -7.286 -3.583 1.00 0.00 H new ATOM 0 HD3 LYS A 92 12.926 -8.394 -4.281 1.00 0.00 H new ATOM 0 HE2 LYS A 92 15.966 -8.682 -4.479 1.00 0.00 H new ATOM 0 HE3 LYS A 92 14.939 -9.588 -3.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 15.341 -10.932 -5.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 13.733 -10.403 -5.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 14.948 -9.691 -6.345 1.00 0.00 H new ATOM 63 N GLY A 93 12.110 -5.002 -9.048 1.00 0.00 N ATOM 64 CA GLY A 93 11.141 -5.397 -10.052 1.00 0.00 C ATOM 65 C GLY A 93 11.616 -6.673 -10.744 1.00 0.00 C ATOM 66 O GLY A 93 12.806 -6.997 -10.683 1.00 0.00 O ATOM 0 H GLY A 93 12.652 -4.173 -9.292 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.168 -5.562 -9.589 1.00 0.00 H new ATOM 0 HA3 GLY A 93 11.014 -4.599 -10.784 1.00 0.00 H new ATOM 70 N PRO A 94 10.699 -7.402 -11.404 1.00 0.00 N ATOM 71 CA PRO A 94 11.032 -8.623 -12.101 1.00 0.00 C ATOM 72 C PRO A 94 12.191 -8.389 -13.062 1.00 0.00 C ATOM 73 O PRO A 94 12.152 -7.470 -13.879 1.00 0.00 O ATOM 74 CB PRO A 94 9.761 -9.046 -12.838 1.00 0.00 C ATOM 75 CG PRO A 94 8.639 -8.135 -12.331 1.00 0.00 C ATOM 76 CD PRO A 94 9.300 -7.044 -11.490 1.00 0.00 C ATOM 0 HA PRO A 94 11.359 -9.406 -11.417 1.00 0.00 H new ATOM 0 HB2 PRO A 94 9.886 -8.944 -13.916 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.529 -10.093 -12.642 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.088 -7.700 -13.165 1.00 0.00 H new ATOM 0 HG3 PRO A 94 7.922 -8.700 -11.736 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.175 -6.065 -11.953 1.00 0.00 H new ATOM 0 HD3 PRO A 94 8.850 -6.988 -10.499 1.00 0.00 H new ATOM 84 N TRP A 95 13.225 -9.223 -12.951 1.00 0.00 N ATOM 85 CA TRP A 95 14.401 -9.114 -13.790 1.00 0.00 C ATOM 86 C TRP A 95 14.034 -9.351 -15.252 1.00 0.00 C ATOM 87 O TRP A 95 13.099 -10.094 -15.549 1.00 0.00 O ATOM 88 CB TRP A 95 15.438 -10.128 -13.322 1.00 0.00 C ATOM 89 CG TRP A 95 16.343 -9.624 -12.249 1.00 0.00 C ATOM 90 CD1 TRP A 95 16.041 -9.525 -10.944 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.703 -9.127 -12.374 1.00 0.00 C ATOM 92 NE1 TRP A 95 17.104 -9.012 -10.233 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.170 -8.744 -11.077 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.595 -8.956 -13.453 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.452 -8.223 -10.870 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.883 -8.426 -13.249 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.311 -8.062 -11.961 1.00 0.00 C ATOM 0 H TRP A 95 13.264 -9.988 -12.277 1.00 0.00 H new ATOM 0 HA TRP A 95 14.818 -8.110 -13.709 1.00 0.00 H new ATOM 0 HB2 TRP A 95 14.923 -11.017 -12.959 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.041 -10.435 -14.176 1.00 0.00 H new ATOM 0 HD1 TRP A 95 15.093 -9.809 -10.511 1.00 0.00 H new ATOM 0 HE1 TRP A 95 17.106 -8.852 -9.226 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.286 -9.235 -14.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.775 -7.948 -9.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.548 -8.298 -14.090 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.302 -7.659 -11.814 1.00 0.00 H new ATOM 108 N THR A 96 14.782 -8.708 -16.158 1.00 0.00 N ATOM 109 CA THR A 96 14.549 -8.819 -17.589 1.00 0.00 C ATOM 110 C THR A 96 15.793 -9.407 -18.258 1.00 0.00 C ATOM 111 O THR A 96 16.895 -9.304 -17.720 1.00 0.00 O ATOM 112 CB THR A 96 14.211 -7.430 -18.161 1.00 0.00 C ATOM 113 OG1 THR A 96 15.399 -6.698 -18.382 1.00 0.00 O ATOM 114 CG2 THR A 96 13.314 -6.658 -17.179 1.00 0.00 C ATOM 0 H THR A 96 15.563 -8.099 -15.912 1.00 0.00 H new ATOM 0 HA THR A 96 13.707 -9.483 -17.785 1.00 0.00 H new ATOM 0 HB THR A 96 13.683 -7.561 -19.106 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.177 -5.816 -18.747 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.081 -5.677 -17.593 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.390 -7.213 -17.018 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.835 -6.536 -16.229 1.00 0.00 H new ATOM 122 N LYS A 97 15.613 -10.027 -19.433 1.00 0.00 N ATOM 123 CA LYS A 97 16.716 -10.635 -20.167 1.00 0.00 C ATOM 124 C LYS A 97 17.816 -9.607 -20.423 1.00 0.00 C ATOM 125 O LYS A 97 18.992 -9.926 -20.312 1.00 0.00 O ATOM 126 CB LYS A 97 16.191 -11.206 -21.491 1.00 0.00 C ATOM 127 CG LYS A 97 17.367 -11.659 -22.367 1.00 0.00 C ATOM 128 CD LYS A 97 16.844 -12.490 -23.543 1.00 0.00 C ATOM 129 CE LYS A 97 17.931 -12.623 -24.616 1.00 0.00 C ATOM 130 NZ LYS A 97 19.173 -13.194 -24.060 1.00 0.00 N ATOM 0 H LYS A 97 14.706 -10.117 -19.892 1.00 0.00 H new ATOM 0 HA LYS A 97 17.142 -11.444 -19.574 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.526 -12.047 -21.296 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.605 -10.451 -22.016 1.00 0.00 H new ATOM 0 HG2 LYS A 97 17.913 -10.791 -22.737 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.068 -12.248 -21.776 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.542 -13.478 -23.195 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.958 -12.017 -23.968 1.00 0.00 H new ATOM 0 HE2 LYS A 97 17.569 -13.256 -25.426 1.00 0.00 H new ATOM 0 HE3 LYS A 97 18.140 -11.644 -25.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 19.662 -13.743 -24.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 19.792 -12.425 -23.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 18.941 -13.816 -23.260 1.00 0.00 H new ATOM 144 N GLU A 98 17.426 -8.377 -20.769 1.00 0.00 N ATOM 145 CA GLU A 98 18.375 -7.311 -21.054 1.00 0.00 C ATOM 146 C GLU A 98 19.199 -7.002 -19.801 1.00 0.00 C ATOM 147 O GLU A 98 20.425 -6.912 -19.867 1.00 0.00 O ATOM 148 CB GLU A 98 17.601 -6.076 -21.540 1.00 0.00 C ATOM 149 CG GLU A 98 18.561 -5.046 -22.151 1.00 0.00 C ATOM 150 CD GLU A 98 19.274 -4.237 -21.073 1.00 0.00 C ATOM 151 OE1 GLU A 98 18.567 -3.751 -20.166 1.00 0.00 O ATOM 152 OE2 GLU A 98 20.513 -4.120 -21.174 1.00 0.00 O ATOM 0 H GLU A 98 16.449 -8.099 -20.858 1.00 0.00 H new ATOM 0 HA GLU A 98 19.068 -7.618 -21.837 1.00 0.00 H new ATOM 0 HB2 GLU A 98 16.858 -6.373 -22.280 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.060 -5.628 -20.707 1.00 0.00 H new ATOM 0 HG2 GLU A 98 19.298 -5.557 -22.771 1.00 0.00 H new ATOM 0 HG3 GLU A 98 18.006 -4.373 -22.805 1.00 0.00 H new ATOM 159 N GLU A 99 18.518 -6.849 -18.658 1.00 0.00 N ATOM 160 CA GLU A 99 19.179 -6.566 -17.391 1.00 0.00 C ATOM 161 C GLU A 99 20.191 -7.682 -17.107 1.00 0.00 C ATOM 162 O GLU A 99 21.354 -7.416 -16.805 1.00 0.00 O ATOM 163 CB GLU A 99 18.111 -6.496 -16.279 1.00 0.00 C ATOM 164 CG GLU A 99 18.064 -5.096 -15.652 1.00 0.00 C ATOM 165 CD GLU A 99 19.392 -4.711 -15.017 1.00 0.00 C ATOM 166 OE1 GLU A 99 20.081 -5.631 -14.543 1.00 0.00 O ATOM 167 OE2 GLU A 99 19.689 -3.494 -15.019 1.00 0.00 O ATOM 0 H GLU A 99 17.503 -6.918 -18.592 1.00 0.00 H new ATOM 0 HA GLU A 99 19.707 -5.613 -17.430 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.134 -6.747 -16.691 1.00 0.00 H new ATOM 0 HB3 GLU A 99 18.332 -7.236 -15.510 1.00 0.00 H new ATOM 0 HG2 GLU A 99 17.802 -4.365 -16.417 1.00 0.00 H new ATOM 0 HG3 GLU A 99 17.278 -5.063 -14.897 1.00 0.00 H new ATOM 174 N ASP A 100 19.733 -8.937 -17.219 1.00 0.00 N ATOM 175 CA ASP A 100 20.570 -10.109 -16.991 1.00 0.00 C ATOM 176 C ASP A 100 21.753 -10.130 -17.961 1.00 0.00 C ATOM 177 O ASP A 100 22.859 -10.511 -17.579 1.00 0.00 O ATOM 178 CB ASP A 100 19.717 -11.370 -17.170 1.00 0.00 C ATOM 179 CG ASP A 100 19.045 -11.763 -15.871 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.768 -12.244 -14.975 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.813 -11.579 -15.791 1.00 0.00 O ATOM 0 H ASP A 100 18.770 -9.161 -17.471 1.00 0.00 H new ATOM 0 HA ASP A 100 20.969 -10.073 -15.977 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.961 -11.196 -17.936 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.344 -12.190 -17.521 1.00 0.00 H new ATOM 186 N GLN A 101 21.518 -9.731 -19.217 1.00 0.00 N ATOM 187 CA GLN A 101 22.557 -9.729 -20.238 1.00 0.00 C ATOM 188 C GLN A 101 23.786 -8.968 -19.742 1.00 0.00 C ATOM 189 O GLN A 101 24.916 -9.412 -19.946 1.00 0.00 O ATOM 190 CB GLN A 101 22.008 -9.096 -21.527 1.00 0.00 C ATOM 191 CG GLN A 101 22.713 -9.696 -22.747 1.00 0.00 C ATOM 192 CD GLN A 101 22.313 -11.157 -22.947 1.00 0.00 C ATOM 193 OE1 GLN A 101 21.139 -11.462 -23.163 1.00 0.00 O ATOM 194 NE2 GLN A 101 23.289 -12.063 -22.875 1.00 0.00 N ATOM 0 H GLN A 101 20.609 -9.405 -19.546 1.00 0.00 H new ATOM 0 HA GLN A 101 22.858 -10.755 -20.449 1.00 0.00 H new ATOM 0 HB2 GLN A 101 20.934 -9.267 -21.597 1.00 0.00 H new ATOM 0 HB3 GLN A 101 22.158 -8.017 -21.504 1.00 0.00 H new ATOM 0 HG2 GLN A 101 22.459 -9.121 -23.637 1.00 0.00 H new ATOM 0 HG3 GLN A 101 23.793 -9.625 -22.619 1.00 0.00 H new ATOM 0 HE21 GLN A 101 24.248 -11.766 -22.694 1.00 0.00 H new ATOM 0 HE22 GLN A 101 23.076 -13.053 -23.001 1.00 0.00 H new ATOM 203 N ARG A 102 23.564 -7.822 -19.090 1.00 0.00 N ATOM 204 CA ARG A 102 24.653 -7.012 -18.574 1.00 0.00 C ATOM 205 C ARG A 102 25.376 -7.754 -17.447 1.00 0.00 C ATOM 206 O ARG A 102 26.600 -7.733 -17.391 1.00 0.00 O ATOM 207 CB ARG A 102 24.110 -5.665 -18.089 1.00 0.00 C ATOM 208 CG ARG A 102 23.729 -4.803 -19.296 1.00 0.00 C ATOM 209 CD ARG A 102 23.228 -3.434 -18.825 1.00 0.00 C ATOM 210 NE ARG A 102 21.755 -3.394 -18.807 1.00 0.00 N ATOM 211 CZ ARG A 102 21.025 -2.963 -17.759 1.00 0.00 C ATOM 212 NH1 ARG A 102 21.613 -2.446 -16.676 1.00 0.00 N ATOM 213 NH2 ARG A 102 19.696 -3.051 -17.798 1.00 0.00 N ATOM 0 H ARG A 102 22.635 -7.441 -18.911 1.00 0.00 H new ATOM 0 HA ARG A 102 25.374 -6.826 -19.370 1.00 0.00 H new ATOM 0 HB2 ARG A 102 23.240 -5.820 -17.451 1.00 0.00 H new ATOM 0 HB3 ARG A 102 24.861 -5.154 -17.486 1.00 0.00 H new ATOM 0 HG2 ARG A 102 24.591 -4.678 -19.951 1.00 0.00 H new ATOM 0 HG3 ARG A 102 22.955 -5.302 -19.880 1.00 0.00 H new ATOM 0 HD2 ARG A 102 23.614 -3.224 -17.828 1.00 0.00 H new ATOM 0 HD3 ARG A 102 23.609 -2.655 -19.485 1.00 0.00 H new ATOM 0 HE ARG A 102 21.257 -3.712 -19.639 1.00 0.00 H new ATOM 0 HH11 ARG A 102 22.629 -2.373 -16.634 1.00 0.00 H new ATOM 0 HH12 ARG A 102 21.045 -2.125 -15.892 1.00 0.00 H new ATOM 0 HH21 ARG A 102 19.235 -3.443 -18.619 1.00 0.00 H new ATOM 0 HH22 ARG A 102 19.140 -2.726 -17.007 1.00 0.00 H new ATOM 227 N VAL A 103 24.625 -8.414 -16.551 1.00 0.00 N ATOM 228 CA VAL A 103 25.229 -9.149 -15.441 1.00 0.00 C ATOM 229 C VAL A 103 26.189 -10.203 -15.979 1.00 0.00 C ATOM 230 O VAL A 103 27.322 -10.283 -15.528 1.00 0.00 O ATOM 231 CB VAL A 103 24.143 -9.811 -14.579 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.796 -10.605 -13.443 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.241 -8.742 -13.979 1.00 0.00 C ATOM 0 H VAL A 103 23.606 -8.451 -16.577 1.00 0.00 H new ATOM 0 HA VAL A 103 25.783 -8.448 -14.817 1.00 0.00 H new ATOM 0 HB VAL A 103 23.554 -10.481 -15.205 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.022 -11.073 -12.834 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.443 -11.376 -13.863 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.388 -9.932 -12.823 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.472 -9.215 -13.368 1.00 0.00 H new ATOM 0 HG22 VAL A 103 23.835 -8.071 -13.359 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.769 -8.173 -14.780 1.00 0.00 H new ATOM 243 N ILE A 104 25.730 -11.011 -16.939 1.00 0.00 N ATOM 244 CA ILE A 104 26.547 -12.070 -17.520 1.00 0.00 C ATOM 245 C ILE A 104 27.907 -11.512 -17.959 1.00 0.00 C ATOM 246 O ILE A 104 28.951 -12.030 -17.561 1.00 0.00 O ATOM 247 CB ILE A 104 25.797 -12.688 -18.714 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.565 -13.461 -18.221 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.729 -13.639 -19.480 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.634 -13.771 -19.395 1.00 0.00 C ATOM 0 H ILE A 104 24.790 -10.948 -17.330 1.00 0.00 H new ATOM 0 HA ILE A 104 26.728 -12.844 -16.774 1.00 0.00 H new ATOM 0 HB ILE A 104 25.473 -11.887 -19.378 1.00 0.00 H new ATOM 0 HG12 ILE A 104 24.876 -14.388 -17.739 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.034 -12.875 -17.471 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.192 -14.073 -20.324 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.593 -13.085 -19.846 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.064 -14.435 -18.815 1.00 0.00 H new ATOM 0 HD11 ILE A 104 22.764 -14.319 -19.034 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.309 -12.839 -19.858 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.165 -14.376 -20.130 1.00 0.00 H new ATOM 262 N GLU A 105 27.886 -10.461 -18.784 1.00 0.00 N ATOM 263 CA GLU A 105 29.102 -9.858 -19.312 1.00 0.00 C ATOM 264 C GLU A 105 29.966 -9.286 -18.183 1.00 0.00 C ATOM 265 O GLU A 105 31.139 -9.638 -18.059 1.00 0.00 O ATOM 266 CB GLU A 105 28.707 -8.764 -20.317 1.00 0.00 C ATOM 267 CG GLU A 105 29.959 -8.120 -20.931 1.00 0.00 C ATOM 268 CD GLU A 105 30.460 -6.953 -20.084 1.00 0.00 C ATOM 269 OE1 GLU A 105 29.658 -6.021 -19.869 1.00 0.00 O ATOM 270 OE2 GLU A 105 31.637 -7.016 -19.670 1.00 0.00 O ATOM 0 H GLU A 105 27.028 -10.010 -19.100 1.00 0.00 H new ATOM 0 HA GLU A 105 29.700 -10.617 -19.816 1.00 0.00 H new ATOM 0 HB2 GLU A 105 28.088 -9.192 -21.105 1.00 0.00 H new ATOM 0 HB3 GLU A 105 28.107 -8.003 -19.818 1.00 0.00 H new ATOM 0 HG2 GLU A 105 30.746 -8.868 -21.023 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.733 -7.769 -21.938 1.00 0.00 H new ATOM 277 N LEU A 106 29.389 -8.396 -17.370 1.00 0.00 N ATOM 278 CA LEU A 106 30.120 -7.734 -16.296 1.00 0.00 C ATOM 279 C LEU A 106 30.725 -8.754 -15.328 1.00 0.00 C ATOM 280 O LEU A 106 31.828 -8.549 -14.835 1.00 0.00 O ATOM 281 CB LEU A 106 29.182 -6.777 -15.555 1.00 0.00 C ATOM 282 CG LEU A 106 28.738 -5.632 -16.483 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.580 -4.879 -15.828 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.901 -4.665 -16.725 1.00 0.00 C ATOM 0 H LEU A 106 28.410 -8.119 -17.440 1.00 0.00 H new ATOM 0 HA LEU A 106 30.943 -7.167 -16.731 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.309 -7.321 -15.195 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.687 -6.369 -14.680 1.00 0.00 H new ATOM 0 HG LEU A 106 28.420 -6.048 -17.439 1.00 0.00 H new ATOM 0 HD11 LEU A 106 27.260 -4.066 -16.480 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.747 -5.563 -15.665 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.906 -4.470 -14.872 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.574 -3.860 -17.383 1.00 0.00 H new ATOM 0 HD22 LEU A 106 30.229 -4.246 -15.774 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.728 -5.200 -17.191 1.00 0.00 H new ATOM 296 N VAL A 107 30.015 -9.851 -15.053 1.00 0.00 N ATOM 297 CA VAL A 107 30.514 -10.878 -14.147 1.00 0.00 C ATOM 298 C VAL A 107 31.680 -11.603 -14.807 1.00 0.00 C ATOM 299 O VAL A 107 32.703 -11.824 -14.175 1.00 0.00 O ATOM 300 CB VAL A 107 29.390 -11.856 -13.776 1.00 0.00 C ATOM 301 CG1 VAL A 107 29.987 -13.125 -13.163 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.464 -11.200 -12.751 1.00 0.00 C ATOM 0 H VAL A 107 29.094 -10.047 -15.446 1.00 0.00 H new ATOM 0 HA VAL A 107 30.865 -10.415 -13.225 1.00 0.00 H new ATOM 0 HB VAL A 107 28.830 -12.113 -14.675 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.185 -13.815 -12.902 1.00 0.00 H new ATOM 0 HG12 VAL A 107 30.653 -13.599 -13.884 1.00 0.00 H new ATOM 0 HG13 VAL A 107 30.549 -12.866 -12.266 1.00 0.00 H new ATOM 0 HG21 VAL A 107 27.665 -11.893 -12.486 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.033 -10.944 -11.857 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.032 -10.295 -13.178 1.00 0.00 H new ATOM 312 N GLN A 108 31.532 -11.967 -16.084 1.00 0.00 N ATOM 313 CA GLN A 108 32.600 -12.634 -16.811 1.00 0.00 C ATOM 314 C GLN A 108 33.849 -11.741 -16.824 1.00 0.00 C ATOM 315 O GLN A 108 34.971 -12.241 -16.848 1.00 0.00 O ATOM 316 CB GLN A 108 32.124 -12.940 -18.235 1.00 0.00 C ATOM 317 CG GLN A 108 33.177 -13.770 -18.974 1.00 0.00 C ATOM 318 CD GLN A 108 32.647 -14.238 -20.324 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.960 -13.649 -21.354 1.00 0.00 O ATOM 320 NE2 GLN A 108 31.843 -15.301 -20.316 1.00 0.00 N ATOM 0 H GLN A 108 30.684 -11.809 -16.628 1.00 0.00 H new ATOM 0 HA GLN A 108 32.859 -13.573 -16.322 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.179 -13.482 -18.202 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.939 -12.010 -18.773 1.00 0.00 H new ATOM 0 HG2 GLN A 108 34.079 -13.176 -19.119 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.457 -14.633 -18.369 1.00 0.00 H new ATOM 0 HE21 GLN A 108 31.611 -15.758 -19.434 1.00 0.00 H new ATOM 0 HE22 GLN A 108 31.460 -15.657 -21.192 1.00 0.00 H new ATOM 329 N LYS A 109 33.641 -10.416 -16.807 1.00 0.00 N ATOM 330 CA LYS A 109 34.729 -9.452 -16.825 1.00 0.00 C ATOM 331 C LYS A 109 35.367 -9.320 -15.434 1.00 0.00 C ATOM 332 O LYS A 109 36.533 -9.662 -15.253 1.00 0.00 O ATOM 333 CB LYS A 109 34.178 -8.104 -17.306 1.00 0.00 C ATOM 334 CG LYS A 109 35.334 -7.139 -17.596 1.00 0.00 C ATOM 335 CD LYS A 109 34.789 -5.840 -18.208 1.00 0.00 C ATOM 336 CE LYS A 109 34.984 -5.848 -19.730 1.00 0.00 C ATOM 337 NZ LYS A 109 34.244 -6.954 -20.361 1.00 0.00 N ATOM 0 H LYS A 109 32.713 -9.993 -16.780 1.00 0.00 H new ATOM 0 HA LYS A 109 35.509 -9.792 -17.506 1.00 0.00 H new ATOM 0 HB2 LYS A 109 33.578 -8.247 -18.205 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.520 -7.679 -16.548 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.875 -6.919 -16.676 1.00 0.00 H new ATOM 0 HG3 LYS A 109 36.044 -7.604 -18.280 1.00 0.00 H new ATOM 0 HD2 LYS A 109 33.731 -5.734 -17.970 1.00 0.00 H new ATOM 0 HD3 LYS A 109 35.301 -4.982 -17.773 1.00 0.00 H new ATOM 0 HE2 LYS A 109 34.647 -4.899 -20.146 1.00 0.00 H new ATOM 0 HE3 LYS A 109 36.045 -5.939 -19.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 34.227 -6.817 -21.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 34.712 -7.856 -20.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 33.270 -6.972 -19.998 1.00 0.00 H new ATOM 351 N TYR A 110 34.601 -8.809 -14.459 1.00 0.00 N ATOM 352 CA TYR A 110 35.099 -8.583 -13.107 1.00 0.00 C ATOM 353 C TYR A 110 35.172 -9.897 -12.328 1.00 0.00 C ATOM 354 O TYR A 110 36.246 -10.285 -11.865 1.00 0.00 O ATOM 355 CB TYR A 110 34.177 -7.586 -12.393 1.00 0.00 C ATOM 356 CG TYR A 110 34.250 -6.181 -12.960 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.401 -5.397 -12.754 1.00 0.00 C ATOM 358 CD2 TYR A 110 33.167 -5.655 -13.689 1.00 0.00 C ATOM 359 CE1 TYR A 110 35.466 -4.093 -13.273 1.00 0.00 C ATOM 360 CE2 TYR A 110 33.237 -4.352 -14.208 1.00 0.00 C ATOM 361 CZ TYR A 110 34.383 -3.571 -13.999 1.00 0.00 C ATOM 362 OH TYR A 110 34.444 -2.303 -14.496 1.00 0.00 O ATOM 0 H TYR A 110 33.625 -8.544 -14.591 1.00 0.00 H new ATOM 0 HA TYR A 110 36.107 -8.172 -13.161 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.149 -7.943 -12.459 1.00 0.00 H new ATOM 0 HB3 TYR A 110 34.437 -7.556 -11.335 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.235 -5.798 -12.197 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.282 -6.253 -13.849 1.00 0.00 H new ATOM 0 HE1 TYR A 110 36.349 -3.492 -13.114 1.00 0.00 H new ATOM 0 HE2 TYR A 110 32.406 -3.950 -14.769 1.00 0.00 H new ATOM 0 HH TYR A 110 33.622 -1.822 -14.267 1.00 0.00 H new ATOM 372 N GLY A 111 34.026 -10.569 -12.177 1.00 0.00 N ATOM 373 CA GLY A 111 33.939 -11.826 -11.443 1.00 0.00 C ATOM 374 C GLY A 111 32.696 -11.816 -10.552 1.00 0.00 C ATOM 375 O GLY A 111 32.028 -10.788 -10.439 1.00 0.00 O ATOM 0 H GLY A 111 33.136 -10.253 -12.562 1.00 0.00 H new ATOM 0 HA2 GLY A 111 33.892 -12.663 -12.140 1.00 0.00 H new ATOM 0 HA3 GLY A 111 34.833 -11.966 -10.835 1.00 0.00 H new ATOM 379 N PRO A 112 32.382 -12.958 -9.907 1.00 0.00 N ATOM 380 CA PRO A 112 31.239 -13.080 -9.013 1.00 0.00 C ATOM 381 C PRO A 112 31.507 -12.380 -7.664 1.00 0.00 C ATOM 382 O PRO A 112 30.991 -12.804 -6.628 1.00 0.00 O ATOM 383 CB PRO A 112 31.053 -14.591 -8.828 1.00 0.00 C ATOM 384 CG PRO A 112 32.386 -15.233 -9.226 1.00 0.00 C ATOM 385 CD PRO A 112 33.140 -14.183 -10.044 1.00 0.00 C ATOM 0 HA PRO A 112 30.347 -12.603 -9.419 1.00 0.00 H new ATOM 0 HB2 PRO A 112 30.798 -14.829 -7.795 1.00 0.00 H new ATOM 0 HB3 PRO A 112 30.239 -14.963 -9.451 1.00 0.00 H new ATOM 0 HG2 PRO A 112 32.957 -15.522 -8.344 1.00 0.00 H new ATOM 0 HG3 PRO A 112 32.223 -16.138 -9.811 1.00 0.00 H new ATOM 0 HD2 PRO A 112 34.158 -14.056 -9.675 1.00 0.00 H new ATOM 0 HD3 PRO A 112 33.215 -14.482 -11.090 1.00 0.00 H new ATOM 393 N LYS A 113 32.317 -11.312 -7.680 1.00 0.00 N ATOM 394 CA LYS A 113 32.662 -10.560 -6.482 1.00 0.00 C ATOM 395 C LYS A 113 32.614 -9.072 -6.815 1.00 0.00 C ATOM 396 O LYS A 113 32.431 -8.704 -7.975 1.00 0.00 O ATOM 397 CB LYS A 113 34.073 -10.955 -6.000 1.00 0.00 C ATOM 398 CG LYS A 113 34.176 -12.471 -5.738 1.00 0.00 C ATOM 399 CD LYS A 113 33.404 -12.868 -4.468 1.00 0.00 C ATOM 400 CE LYS A 113 34.208 -12.485 -3.219 1.00 0.00 C ATOM 401 NZ LYS A 113 33.565 -13.004 -1.998 1.00 0.00 N ATOM 0 H LYS A 113 32.749 -10.950 -8.531 1.00 0.00 H new ATOM 0 HA LYS A 113 31.954 -10.782 -5.684 1.00 0.00 H new ATOM 0 HB2 LYS A 113 34.809 -10.663 -6.749 1.00 0.00 H new ATOM 0 HB3 LYS A 113 34.313 -10.410 -5.087 1.00 0.00 H new ATOM 0 HG2 LYS A 113 33.781 -13.019 -6.594 1.00 0.00 H new ATOM 0 HG3 LYS A 113 35.223 -12.755 -5.634 1.00 0.00 H new ATOM 0 HD2 LYS A 113 32.434 -12.370 -4.452 1.00 0.00 H new ATOM 0 HD3 LYS A 113 33.211 -13.941 -4.471 1.00 0.00 H new ATOM 0 HE2 LYS A 113 35.220 -12.881 -3.298 1.00 0.00 H new ATOM 0 HE3 LYS A 113 34.294 -11.400 -3.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 34.128 -12.732 -1.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 32.608 -12.606 -1.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 33.505 -14.041 -2.051 1.00 0.00 H new ATOM 415 N ARG A 114 32.780 -8.217 -5.795 1.00 0.00 N ATOM 416 CA ARG A 114 32.749 -6.770 -5.981 1.00 0.00 C ATOM 417 C ARG A 114 31.446 -6.381 -6.682 1.00 0.00 C ATOM 418 O ARG A 114 31.455 -5.630 -7.655 1.00 0.00 O ATOM 419 CB ARG A 114 33.974 -6.322 -6.797 1.00 0.00 C ATOM 420 CG ARG A 114 35.257 -6.881 -6.165 1.00 0.00 C ATOM 421 CD ARG A 114 36.485 -6.349 -6.915 1.00 0.00 C ATOM 422 NE ARG A 114 36.445 -6.709 -8.342 1.00 0.00 N ATOM 423 CZ ARG A 114 36.741 -7.938 -8.809 1.00 0.00 C ATOM 424 NH1 ARG A 114 37.031 -8.935 -7.962 1.00 0.00 N ATOM 425 NH2 ARG A 114 36.744 -8.163 -10.127 1.00 0.00 N ATOM 0 H ARG A 114 32.937 -8.511 -4.831 1.00 0.00 H new ATOM 0 HA ARG A 114 32.787 -6.269 -5.014 1.00 0.00 H new ATOM 0 HB2 ARG A 114 33.884 -6.670 -7.826 1.00 0.00 H new ATOM 0 HB3 ARG A 114 34.020 -5.234 -6.832 1.00 0.00 H new ATOM 0 HG2 ARG A 114 35.310 -6.595 -5.115 1.00 0.00 H new ATOM 0 HG3 ARG A 114 35.244 -7.970 -6.198 1.00 0.00 H new ATOM 0 HD2 ARG A 114 36.533 -5.265 -6.814 1.00 0.00 H new ATOM 0 HD3 ARG A 114 37.391 -6.752 -6.463 1.00 0.00 H new ATOM 0 HE ARG A 114 36.179 -5.989 -9.014 1.00 0.00 H new ATOM 0 HH11 ARG A 114 37.029 -8.766 -6.956 1.00 0.00 H new ATOM 0 HH12 ARG A 114 37.254 -9.862 -8.323 1.00 0.00 H new ATOM 0 HH21 ARG A 114 36.523 -7.406 -10.774 1.00 0.00 H new ATOM 0 HH22 ARG A 114 36.967 -9.091 -10.485 1.00 0.00 H new ATOM 439 N TRP A 115 30.324 -6.911 -6.179 1.00 0.00 N ATOM 440 CA TRP A 115 29.012 -6.675 -6.764 1.00 0.00 C ATOM 441 C TRP A 115 28.652 -5.190 -6.748 1.00 0.00 C ATOM 442 O TRP A 115 27.770 -4.770 -7.489 1.00 0.00 O ATOM 443 CB TRP A 115 27.979 -7.515 -6.017 1.00 0.00 C ATOM 444 CG TRP A 115 28.136 -8.982 -6.253 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.661 -9.868 -5.392 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.798 -9.752 -7.442 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.692 -11.128 -5.941 1.00 0.00 N ATOM 448 CE2 TRP A 115 28.165 -11.116 -7.219 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.223 -9.440 -8.693 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.974 -12.108 -8.184 1.00 0.00 C ATOM 451 CZ3 TRP A 115 27.025 -10.439 -9.668 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.406 -11.765 -9.416 1.00 0.00 C ATOM 0 H TRP A 115 30.307 -7.514 -5.356 1.00 0.00 H new ATOM 0 HA TRP A 115 29.025 -6.976 -7.811 1.00 0.00 H new ATOM 0 HB2 TRP A 115 28.060 -7.314 -4.949 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.979 -7.208 -6.324 1.00 0.00 H new ATOM 0 HD1 TRP A 115 29.012 -9.624 -4.400 1.00 0.00 H new ATOM 0 HE1 TRP A 115 29.054 -11.957 -5.470 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.931 -8.422 -8.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 28.262 -13.129 -7.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.577 -10.181 -10.616 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.261 -12.522 -10.173 1.00 0.00 H new ATOM 463 N SER A 116 29.336 -4.392 -5.920 1.00 0.00 N ATOM 464 CA SER A 116 29.102 -2.958 -5.881 1.00 0.00 C ATOM 465 C SER A 116 29.479 -2.351 -7.237 1.00 0.00 C ATOM 466 O SER A 116 28.830 -1.418 -7.703 1.00 0.00 O ATOM 467 CB SER A 116 29.931 -2.333 -4.756 1.00 0.00 C ATOM 468 OG SER A 116 29.594 -0.968 -4.622 1.00 0.00 O ATOM 0 H SER A 116 30.052 -4.721 -5.273 1.00 0.00 H new ATOM 0 HA SER A 116 28.049 -2.756 -5.685 1.00 0.00 H new ATOM 0 HB2 SER A 116 29.745 -2.858 -3.819 1.00 0.00 H new ATOM 0 HB3 SER A 116 30.994 -2.436 -4.973 1.00 0.00 H new ATOM 0 HG SER A 116 30.124 -0.569 -3.901 1.00 0.00 H new ATOM 474 N VAL A 117 30.534 -2.889 -7.866 1.00 0.00 N ATOM 475 CA VAL A 117 30.995 -2.410 -9.160 1.00 0.00 C ATOM 476 C VAL A 117 29.944 -2.737 -10.220 1.00 0.00 C ATOM 477 O VAL A 117 29.527 -1.859 -10.974 1.00 0.00 O ATOM 478 CB VAL A 117 32.346 -3.066 -9.494 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.820 -2.611 -10.875 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.388 -2.663 -8.445 1.00 0.00 C ATOM 0 H VAL A 117 31.082 -3.662 -7.489 1.00 0.00 H new ATOM 0 HA VAL A 117 31.136 -1.329 -9.136 1.00 0.00 H new ATOM 0 HB VAL A 117 32.223 -4.149 -9.492 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.777 -3.080 -11.104 1.00 0.00 H new ATOM 0 HG12 VAL A 117 32.085 -2.901 -11.626 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.936 -1.527 -10.881 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.344 -3.129 -8.684 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.503 -1.579 -8.444 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.059 -2.994 -7.460 1.00 0.00 H new ATOM 490 N ILE A 118 29.514 -4.003 -10.267 1.00 0.00 N ATOM 491 CA ILE A 118 28.502 -4.445 -11.216 1.00 0.00 C ATOM 492 C ILE A 118 27.229 -3.611 -11.029 1.00 0.00 C ATOM 493 O ILE A 118 26.637 -3.154 -12.004 1.00 0.00 O ATOM 494 CB ILE A 118 28.229 -5.949 -11.001 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.449 -6.763 -11.471 1.00 0.00 C ATOM 496 CG2 ILE A 118 26.989 -6.377 -11.801 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.428 -8.161 -10.849 1.00 0.00 C ATOM 0 H ILE A 118 29.858 -4.740 -9.651 1.00 0.00 H new ATOM 0 HA ILE A 118 28.852 -4.303 -12.239 1.00 0.00 H new ATOM 0 HB ILE A 118 28.051 -6.133 -9.941 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.445 -6.841 -12.558 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.368 -6.247 -11.192 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.803 -7.440 -11.644 1.00 0.00 H new ATOM 0 HG22 ILE A 118 26.124 -5.804 -11.466 1.00 0.00 H new ATOM 0 HG23 ILE A 118 27.158 -6.191 -12.862 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.296 -8.724 -11.191 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.455 -8.076 -9.763 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.518 -8.680 -11.150 1.00 0.00 H new ATOM 509 N ALA A 119 26.819 -3.414 -9.769 1.00 0.00 N ATOM 510 CA ALA A 119 25.622 -2.650 -9.444 1.00 0.00 C ATOM 511 C ALA A 119 25.706 -1.234 -10.016 1.00 0.00 C ATOM 512 O ALA A 119 24.748 -0.758 -10.616 1.00 0.00 O ATOM 513 CB ALA A 119 25.451 -2.606 -7.924 1.00 0.00 C ATOM 0 H ALA A 119 27.310 -3.781 -8.954 1.00 0.00 H new ATOM 0 HA ALA A 119 24.756 -3.137 -9.893 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.556 -2.035 -7.675 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.353 -3.621 -7.539 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.322 -2.130 -7.473 1.00 0.00 H new ATOM 519 N LYS A 120 26.851 -0.561 -9.830 1.00 0.00 N ATOM 520 CA LYS A 120 27.035 0.802 -10.325 1.00 0.00 C ATOM 521 C LYS A 120 26.849 0.859 -11.845 1.00 0.00 C ATOM 522 O LYS A 120 26.382 1.868 -12.370 1.00 0.00 O ATOM 523 CB LYS A 120 28.429 1.309 -9.936 1.00 0.00 C ATOM 524 CG LYS A 120 28.415 1.803 -8.483 1.00 0.00 C ATOM 525 CD LYS A 120 29.740 2.502 -8.149 1.00 0.00 C ATOM 526 CE LYS A 120 30.895 1.495 -8.182 1.00 0.00 C ATOM 527 NZ LYS A 120 32.141 2.104 -7.682 1.00 0.00 N ATOM 0 H LYS A 120 27.660 -0.942 -9.340 1.00 0.00 H new ATOM 0 HA LYS A 120 26.281 1.445 -9.870 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.162 0.510 -10.051 1.00 0.00 H new ATOM 0 HB3 LYS A 120 28.731 2.117 -10.602 1.00 0.00 H new ATOM 0 HG2 LYS A 120 27.584 2.492 -8.333 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.258 0.963 -7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 120 29.927 3.303 -8.864 1.00 0.00 H new ATOM 0 HD3 LYS A 120 29.678 2.962 -7.163 1.00 0.00 H new ATOM 0 HE2 LYS A 120 30.642 0.626 -7.575 1.00 0.00 H new ATOM 0 HE3 LYS A 120 31.043 1.140 -9.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 32.908 1.402 -7.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 32.392 2.919 -8.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 32.003 2.421 -6.701 1.00 0.00 H new ATOM 541 N HIS A 121 27.218 -0.216 -12.549 1.00 0.00 N ATOM 542 CA HIS A 121 27.109 -0.262 -14.001 1.00 0.00 C ATOM 543 C HIS A 121 25.685 -0.621 -14.422 1.00 0.00 C ATOM 544 O HIS A 121 25.240 -0.221 -15.497 1.00 0.00 O ATOM 545 CB HIS A 121 28.097 -1.294 -14.548 1.00 0.00 C ATOM 546 CG HIS A 121 29.512 -1.048 -14.097 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.992 0.215 -13.767 1.00 0.00 N ATOM 548 CD2 HIS A 121 30.576 -1.888 -13.909 1.00 0.00 C ATOM 549 CE1 HIS A 121 31.282 0.058 -13.411 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.703 -1.205 -13.479 1.00 0.00 N ATOM 0 H HIS A 121 27.595 -1.066 -12.130 1.00 0.00 H new ATOM 0 HA HIS A 121 27.346 0.721 -14.408 1.00 0.00 H new ATOM 0 HB2 HIS A 121 27.788 -2.290 -14.230 1.00 0.00 H new ATOM 0 HB3 HIS A 121 28.061 -1.282 -15.637 1.00 0.00 H new ATOM 0 HD1 HIS A 121 29.469 1.090 -13.790 1.00 0.00 H new ATOM 0 HD2 HIS A 121 30.542 -2.955 -14.076 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.914 0.877 -13.100 1.00 0.00 H new ATOM 558 N LEU A 122 24.973 -1.380 -13.583 1.00 0.00 N ATOM 559 CA LEU A 122 23.626 -1.821 -13.902 1.00 0.00 C ATOM 560 C LEU A 122 22.626 -0.711 -13.655 1.00 0.00 C ATOM 561 O LEU A 122 21.818 -0.397 -14.525 1.00 0.00 O ATOM 562 CB LEU A 122 23.281 -3.064 -13.069 1.00 0.00 C ATOM 563 CG LEU A 122 23.074 -4.275 -13.986 1.00 0.00 C ATOM 564 CD1 LEU A 122 24.372 -4.620 -14.719 1.00 0.00 C ATOM 565 CD2 LEU A 122 22.648 -5.474 -13.149 1.00 0.00 C ATOM 0 H LEU A 122 25.315 -1.699 -12.677 1.00 0.00 H new ATOM 0 HA LEU A 122 23.578 -2.081 -14.960 1.00 0.00 H new ATOM 0 HB2 LEU A 122 24.082 -3.269 -12.359 1.00 0.00 H new ATOM 0 HB3 LEU A 122 22.378 -2.881 -12.486 1.00 0.00 H new ATOM 0 HG LEU A 122 22.304 -4.031 -14.718 1.00 0.00 H new ATOM 0 HD11 LEU A 122 24.207 -5.482 -15.365 1.00 0.00 H new ATOM 0 HD12 LEU A 122 24.686 -3.769 -15.323 1.00 0.00 H new ATOM 0 HD13 LEU A 122 25.149 -4.856 -13.992 1.00 0.00 H new ATOM 0 HD21 LEU A 122 22.500 -6.337 -13.798 1.00 0.00 H new ATOM 0 HD22 LEU A 122 23.423 -5.700 -12.416 1.00 0.00 H new ATOM 0 HD23 LEU A 122 21.716 -5.244 -12.633 1.00 0.00 H new ATOM 577 N LYS A 123 22.702 -0.141 -12.467 1.00 0.00 N ATOM 578 CA LYS A 123 21.819 0.937 -12.014 1.00 0.00 C ATOM 579 C LYS A 123 20.400 0.394 -11.805 1.00 0.00 C ATOM 580 O LYS A 123 19.833 -0.242 -12.689 1.00 0.00 O ATOM 581 CB LYS A 123 21.826 2.108 -13.012 1.00 0.00 C ATOM 582 CG LYS A 123 23.268 2.576 -13.260 1.00 0.00 C ATOM 583 CD LYS A 123 23.283 3.704 -14.298 1.00 0.00 C ATOM 584 CE LYS A 123 23.118 3.120 -15.707 1.00 0.00 C ATOM 585 NZ LYS A 123 23.245 4.171 -16.733 1.00 0.00 N ATOM 0 H LYS A 123 23.393 -0.415 -11.768 1.00 0.00 H new ATOM 0 HA LYS A 123 22.188 1.318 -11.062 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.368 1.799 -13.952 1.00 0.00 H new ATOM 0 HB3 LYS A 123 21.229 2.933 -12.623 1.00 0.00 H new ATOM 0 HG2 LYS A 123 23.712 2.924 -12.327 1.00 0.00 H new ATOM 0 HG3 LYS A 123 23.875 1.741 -13.610 1.00 0.00 H new ATOM 0 HD2 LYS A 123 22.479 4.411 -14.091 1.00 0.00 H new ATOM 0 HD3 LYS A 123 24.219 4.258 -14.232 1.00 0.00 H new ATOM 0 HE2 LYS A 123 23.870 2.350 -15.876 1.00 0.00 H new ATOM 0 HE3 LYS A 123 22.144 2.639 -15.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 23.130 3.750 -17.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 22.511 4.893 -16.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 24.184 4.613 -16.663 1.00 0.00 H new ATOM 599 N GLY A 124 19.831 0.644 -10.619 1.00 0.00 N ATOM 600 CA GLY A 124 18.498 0.159 -10.281 1.00 0.00 C ATOM 601 C GLY A 124 18.572 -1.267 -9.725 1.00 0.00 C ATOM 602 O GLY A 124 17.544 -1.851 -9.380 1.00 0.00 O ATOM 0 H GLY A 124 20.280 1.182 -9.878 1.00 0.00 H new ATOM 0 HA2 GLY A 124 18.040 0.820 -9.545 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.862 0.178 -11.166 1.00 0.00 H new ATOM 606 N ARG A 125 19.794 -1.822 -9.639 1.00 0.00 N ATOM 607 CA ARG A 125 20.024 -3.160 -9.115 1.00 0.00 C ATOM 608 C ARG A 125 21.183 -3.090 -8.128 1.00 0.00 C ATOM 609 O ARG A 125 22.337 -2.990 -8.540 1.00 0.00 O ATOM 610 CB ARG A 125 20.365 -4.119 -10.265 1.00 0.00 C ATOM 611 CG ARG A 125 19.196 -4.226 -11.254 1.00 0.00 C ATOM 612 CD ARG A 125 18.074 -5.087 -10.663 1.00 0.00 C ATOM 613 NE ARG A 125 16.827 -4.319 -10.545 1.00 0.00 N ATOM 614 CZ ARG A 125 15.607 -4.859 -10.717 1.00 0.00 C ATOM 615 NH1 ARG A 125 15.452 -6.189 -10.764 1.00 0.00 N ATOM 616 NH2 ARG A 125 14.541 -4.063 -10.843 1.00 0.00 N ATOM 0 H ARG A 125 20.646 -1.345 -9.935 1.00 0.00 H new ATOM 0 HA ARG A 125 19.129 -3.530 -8.614 1.00 0.00 H new ATOM 0 HB2 ARG A 125 21.256 -3.767 -10.785 1.00 0.00 H new ATOM 0 HB3 ARG A 125 20.599 -5.105 -9.864 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.816 -3.231 -11.487 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.543 -4.662 -12.191 1.00 0.00 H new ATOM 0 HD2 ARG A 125 17.909 -5.960 -11.295 1.00 0.00 H new ATOM 0 HD3 ARG A 125 18.372 -5.456 -9.682 1.00 0.00 H new ATOM 0 HE ARG A 125 16.890 -3.326 -10.321 1.00 0.00 H new ATOM 0 HH11 ARG A 125 16.263 -6.801 -10.669 1.00 0.00 H new ATOM 0 HH12 ARG A 125 14.523 -6.590 -10.895 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.654 -3.050 -10.809 1.00 0.00 H new ATOM 0 HH22 ARG A 125 13.614 -4.469 -10.974 1.00 0.00 H new ATOM 630 N ILE A 126 20.882 -3.132 -6.827 1.00 0.00 N ATOM 631 CA ILE A 126 21.913 -3.054 -5.801 1.00 0.00 C ATOM 632 C ILE A 126 22.722 -4.354 -5.768 1.00 0.00 C ATOM 633 O ILE A 126 22.356 -5.340 -6.411 1.00 0.00 O ATOM 634 CB ILE A 126 21.275 -2.757 -4.432 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.188 -3.794 -4.110 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.660 -1.351 -4.453 1.00 0.00 C ATOM 637 CD1 ILE A 126 19.912 -3.808 -2.605 1.00 0.00 C ATOM 0 H ILE A 126 19.933 -3.220 -6.465 1.00 0.00 H new ATOM 0 HA ILE A 126 22.596 -2.238 -6.038 1.00 0.00 H new ATOM 0 HB ILE A 126 22.045 -2.811 -3.662 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.274 -3.557 -4.654 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.507 -4.783 -4.439 1.00 0.00 H new ATOM 0 HG21 ILE A 126 20.207 -1.137 -3.485 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.438 -0.616 -4.660 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.897 -1.299 -5.230 1.00 0.00 H new ATOM 0 HD11 ILE A 126 19.140 -4.545 -2.383 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.826 -4.067 -2.070 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.573 -2.822 -2.288 1.00 0.00 H new ATOM 649 N GLY A 127 23.830 -4.343 -5.015 1.00 0.00 N ATOM 650 CA GLY A 127 24.717 -5.493 -4.901 1.00 0.00 C ATOM 651 C GLY A 127 23.938 -6.764 -4.562 1.00 0.00 C ATOM 652 O GLY A 127 24.209 -7.818 -5.125 1.00 0.00 O ATOM 0 H GLY A 127 24.131 -3.534 -4.471 1.00 0.00 H new ATOM 0 HA2 GLY A 127 25.256 -5.633 -5.838 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.463 -5.304 -4.129 1.00 0.00 H new ATOM 656 N LYS A 128 22.973 -6.661 -3.639 1.00 0.00 N ATOM 657 CA LYS A 128 22.170 -7.805 -3.226 1.00 0.00 C ATOM 658 C LYS A 128 21.485 -8.438 -4.440 1.00 0.00 C ATOM 659 O LYS A 128 21.588 -9.646 -4.647 1.00 0.00 O ATOM 660 CB LYS A 128 21.134 -7.340 -2.191 1.00 0.00 C ATOM 661 CG LYS A 128 20.212 -8.499 -1.778 1.00 0.00 C ATOM 662 CD LYS A 128 21.018 -9.589 -1.058 1.00 0.00 C ATOM 663 CE LYS A 128 20.063 -10.605 -0.420 1.00 0.00 C ATOM 664 NZ LYS A 128 19.446 -11.474 -1.440 1.00 0.00 N ATOM 0 H LYS A 128 22.733 -5.790 -3.166 1.00 0.00 H new ATOM 0 HA LYS A 128 22.811 -8.562 -2.774 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.644 -6.945 -1.312 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.539 -6.527 -2.606 1.00 0.00 H new ATOM 0 HG2 LYS A 128 19.422 -8.129 -1.124 1.00 0.00 H new ATOM 0 HG3 LYS A 128 19.726 -8.918 -2.659 1.00 0.00 H new ATOM 0 HD2 LYS A 128 21.679 -10.091 -1.764 1.00 0.00 H new ATOM 0 HD3 LYS A 128 21.651 -9.140 -0.292 1.00 0.00 H new ATOM 0 HE2 LYS A 128 20.607 -11.216 0.301 1.00 0.00 H new ATOM 0 HE3 LYS A 128 19.284 -10.079 0.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 18.731 -12.081 -0.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 18.994 -10.886 -2.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 20.178 -12.068 -1.879 1.00 0.00 H new ATOM 678 N GLN A 129 20.783 -7.619 -5.233 1.00 0.00 N ATOM 679 CA GLN A 129 20.065 -8.098 -6.404 1.00 0.00 C ATOM 680 C GLN A 129 21.033 -8.726 -7.400 1.00 0.00 C ATOM 681 O GLN A 129 20.842 -9.863 -7.816 1.00 0.00 O ATOM 682 CB GLN A 129 19.321 -6.936 -7.065 1.00 0.00 C ATOM 683 CG GLN A 129 18.165 -6.470 -6.184 1.00 0.00 C ATOM 684 CD GLN A 129 17.222 -5.587 -6.990 1.00 0.00 C ATOM 685 OE1 GLN A 129 16.546 -6.070 -7.893 1.00 0.00 O ATOM 686 NE2 GLN A 129 17.180 -4.295 -6.670 1.00 0.00 N ATOM 0 H GLN A 129 20.701 -6.614 -5.077 1.00 0.00 H new ATOM 0 HA GLN A 129 19.346 -8.855 -6.090 1.00 0.00 H new ATOM 0 HB2 GLN A 129 20.009 -6.109 -7.240 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.942 -7.246 -8.039 1.00 0.00 H new ATOM 0 HG2 GLN A 129 17.624 -7.332 -5.792 1.00 0.00 H new ATOM 0 HG3 GLN A 129 18.550 -5.918 -5.326 1.00 0.00 H new ATOM 0 HE21 GLN A 129 17.761 -3.938 -5.911 1.00 0.00 H new ATOM 0 HE22 GLN A 129 16.567 -3.662 -7.184 1.00 0.00 H new ATOM 695 N CYS A 130 22.066 -7.978 -7.789 1.00 0.00 N ATOM 696 CA CYS A 130 23.050 -8.459 -8.752 1.00 0.00 C ATOM 697 C CYS A 130 23.630 -9.804 -8.302 1.00 0.00 C ATOM 698 O CYS A 130 23.730 -10.735 -9.100 1.00 0.00 O ATOM 699 CB CYS A 130 24.164 -7.421 -8.910 1.00 0.00 C ATOM 700 SG CYS A 130 23.457 -5.885 -9.556 1.00 0.00 S ATOM 0 H CYS A 130 22.241 -7.033 -7.449 1.00 0.00 H new ATOM 0 HA CYS A 130 22.561 -8.606 -9.715 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.646 -7.238 -7.950 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.933 -7.795 -9.587 1.00 0.00 H new ATOM 0 HG CYS A 130 22.963 -5.188 -8.576 1.00 0.00 H new ATOM 706 N ARG A 131 24.016 -9.899 -7.024 1.00 0.00 N ATOM 707 CA ARG A 131 24.607 -11.110 -6.480 1.00 0.00 C ATOM 708 C ARG A 131 23.617 -12.271 -6.534 1.00 0.00 C ATOM 709 O ARG A 131 23.914 -13.303 -7.132 1.00 0.00 O ATOM 710 CB ARG A 131 25.066 -10.845 -5.036 1.00 0.00 C ATOM 711 CG ARG A 131 25.935 -12.008 -4.530 1.00 0.00 C ATOM 712 CD ARG A 131 25.083 -13.013 -3.747 1.00 0.00 C ATOM 713 NE ARG A 131 25.887 -14.176 -3.350 1.00 0.00 N ATOM 714 CZ ARG A 131 25.349 -15.312 -2.870 1.00 0.00 C ATOM 715 NH1 ARG A 131 24.023 -15.412 -2.700 1.00 0.00 N ATOM 716 NH2 ARG A 131 26.142 -16.346 -2.561 1.00 0.00 N ATOM 0 H ARG A 131 23.925 -9.140 -6.349 1.00 0.00 H new ATOM 0 HA ARG A 131 25.470 -11.390 -7.084 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.631 -9.914 -4.992 1.00 0.00 H new ATOM 0 HB3 ARG A 131 24.198 -10.722 -4.388 1.00 0.00 H new ATOM 0 HG2 ARG A 131 26.413 -12.507 -5.373 1.00 0.00 H new ATOM 0 HG3 ARG A 131 26.732 -11.624 -3.893 1.00 0.00 H new ATOM 0 HD2 ARG A 131 24.667 -12.533 -2.861 1.00 0.00 H new ATOM 0 HD3 ARG A 131 24.241 -13.338 -4.358 1.00 0.00 H new ATOM 0 HE ARG A 131 26.901 -14.120 -3.443 1.00 0.00 H new ATOM 0 HH11 ARG A 131 23.418 -14.625 -2.935 1.00 0.00 H new ATOM 0 HH12 ARG A 131 23.619 -16.275 -2.336 1.00 0.00 H new ATOM 0 HH21 ARG A 131 27.151 -16.271 -2.690 1.00 0.00 H new ATOM 0 HH22 ARG A 131 25.737 -17.208 -2.197 1.00 0.00 H new ATOM 730 N GLU A 132 22.448 -12.121 -5.895 1.00 0.00 N ATOM 731 CA GLU A 132 21.478 -13.204 -5.827 1.00 0.00 C ATOM 732 C GLU A 132 21.059 -13.638 -7.232 1.00 0.00 C ATOM 733 O GLU A 132 20.993 -14.828 -7.494 1.00 0.00 O ATOM 734 CB GLU A 132 20.278 -12.797 -4.940 1.00 0.00 C ATOM 735 CG GLU A 132 19.194 -12.082 -5.753 1.00 0.00 C ATOM 736 CD GLU A 132 18.121 -11.486 -4.846 1.00 0.00 C ATOM 737 OE1 GLU A 132 18.509 -10.848 -3.842 1.00 0.00 O ATOM 738 OE2 GLU A 132 16.930 -11.676 -5.173 1.00 0.00 O ATOM 0 H GLU A 132 22.160 -11.264 -5.423 1.00 0.00 H new ATOM 0 HA GLU A 132 21.938 -14.073 -5.356 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.855 -13.684 -4.469 1.00 0.00 H new ATOM 0 HB3 GLU A 132 20.622 -12.144 -4.138 1.00 0.00 H new ATOM 0 HG2 GLU A 132 19.647 -11.292 -6.351 1.00 0.00 H new ATOM 0 HG3 GLU A 132 18.735 -12.785 -6.449 1.00 0.00 H new ATOM 745 N ARG A 133 20.791 -12.688 -8.141 1.00 0.00 N ATOM 746 CA ARG A 133 20.387 -13.030 -9.501 1.00 0.00 C ATOM 747 C ARG A 133 21.339 -14.079 -10.066 1.00 0.00 C ATOM 748 O ARG A 133 20.905 -15.025 -10.726 1.00 0.00 O ATOM 749 CB ARG A 133 20.383 -11.771 -10.380 1.00 0.00 C ATOM 750 CG ARG A 133 19.854 -12.096 -11.787 1.00 0.00 C ATOM 751 CD ARG A 133 18.408 -12.600 -11.716 1.00 0.00 C ATOM 752 NE ARG A 133 17.815 -12.666 -13.056 1.00 0.00 N ATOM 753 CZ ARG A 133 16.595 -13.176 -13.301 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.858 -13.660 -12.299 1.00 0.00 N ATOM 755 NH2 ARG A 133 16.119 -13.197 -14.549 1.00 0.00 N ATOM 0 H ARG A 133 20.848 -11.687 -7.955 1.00 0.00 H new ATOM 0 HA ARG A 133 19.378 -13.442 -9.489 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.762 -11.002 -9.921 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.393 -11.366 -10.450 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.904 -11.206 -12.415 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.486 -12.852 -12.254 1.00 0.00 H new ATOM 0 HD2 ARG A 133 18.384 -13.587 -11.253 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.817 -11.937 -11.084 1.00 0.00 H new ATOM 0 HE ARG A 133 18.356 -12.307 -13.843 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.220 -13.643 -11.345 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.933 -14.046 -12.487 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.681 -12.826 -15.315 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.194 -13.584 -14.735 1.00 0.00 H new ATOM 769 N TRP A 134 22.638 -13.910 -9.797 1.00 0.00 N ATOM 770 CA TRP A 134 23.644 -14.837 -10.262 1.00 0.00 C ATOM 771 C TRP A 134 23.598 -16.125 -9.438 1.00 0.00 C ATOM 772 O TRP A 134 23.628 -17.220 -9.992 1.00 0.00 O ATOM 773 CB TRP A 134 25.024 -14.179 -10.175 1.00 0.00 C ATOM 774 CG TRP A 134 26.004 -14.747 -11.140 1.00 0.00 C ATOM 775 CD1 TRP A 134 27.124 -15.424 -10.835 1.00 0.00 C ATOM 776 CD2 TRP A 134 25.947 -14.722 -12.589 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.768 -15.842 -11.975 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.071 -15.439 -13.102 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.052 -14.170 -13.531 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.278 -15.612 -14.471 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.258 -14.338 -14.903 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.361 -15.066 -15.377 1.00 0.00 C ATOM 0 H TRP A 134 23.007 -13.129 -9.254 1.00 0.00 H new ATOM 0 HA TRP A 134 23.446 -15.097 -11.302 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.922 -13.109 -10.357 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.412 -14.294 -9.163 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.471 -15.614 -9.830 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.638 -16.375 -11.989 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.196 -13.610 -13.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.137 -16.161 -14.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.562 -13.904 -15.605 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.502 -15.205 -16.439 1.00 0.00 H new ATOM 793 N HIS A 135 23.527 -15.995 -8.110 1.00 0.00 N ATOM 794 CA HIS A 135 23.499 -17.148 -7.220 1.00 0.00 C ATOM 795 C HIS A 135 22.057 -17.627 -6.994 1.00 0.00 C ATOM 796 O HIS A 135 21.654 -17.867 -5.857 1.00 0.00 O ATOM 797 CB HIS A 135 24.178 -16.773 -5.899 1.00 0.00 C ATOM 798 CG HIS A 135 25.660 -16.553 -6.062 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.590 -17.578 -5.926 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.406 -15.440 -6.355 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.804 -17.032 -6.137 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.761 -15.726 -6.403 1.00 0.00 N ATOM 0 H HIS A 135 23.488 -15.096 -7.630 1.00 0.00 H new ATOM 0 HA HIS A 135 24.043 -17.976 -7.675 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.720 -15.867 -5.501 1.00 0.00 H new ATOM 0 HB3 HIS A 135 24.008 -17.564 -5.168 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.988 -14.459 -6.527 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.723 -17.598 -6.095 1.00 0.00 H new ATOM 0 HE2 HIS A 135 28.537 -15.092 -6.595 1.00 0.00 H new ATOM 810 N ASN A 136 21.292 -17.777 -8.086 1.00 0.00 N ATOM 811 CA ASN A 136 19.921 -18.287 -8.027 1.00 0.00 C ATOM 812 C ASN A 136 19.658 -19.171 -9.235 1.00 0.00 C ATOM 813 O ASN A 136 19.748 -20.393 -9.154 1.00 0.00 O ATOM 814 CB ASN A 136 18.903 -17.132 -8.023 1.00 0.00 C ATOM 815 CG ASN A 136 18.457 -16.777 -6.619 1.00 0.00 C ATOM 816 OD1 ASN A 136 17.375 -17.168 -6.190 1.00 0.00 O ATOM 817 ND2 ASN A 136 19.278 -16.030 -5.912 1.00 0.00 N ATOM 0 H ASN A 136 21.608 -17.548 -9.029 1.00 0.00 H new ATOM 0 HA ASN A 136 19.808 -18.859 -7.106 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.346 -16.256 -8.496 1.00 0.00 H new ATOM 0 HB3 ASN A 136 18.035 -17.411 -8.620 1.00 0.00 H new ATOM 0 HD21 ASN A 136 19.025 -15.751 -4.964 1.00 0.00 H new ATOM 0 HD22 ASN A 136 20.167 -15.730 -6.312 1.00 0.00 H new ATOM 824 N HIS A 137 19.309 -18.529 -10.351 1.00 0.00 N ATOM 825 CA HIS A 137 18.933 -19.232 -11.574 1.00 0.00 C ATOM 826 C HIS A 137 20.158 -19.566 -12.438 1.00 0.00 C ATOM 827 O HIS A 137 20.625 -20.703 -12.423 1.00 0.00 O ATOM 828 CB HIS A 137 17.912 -18.387 -12.355 1.00 0.00 C ATOM 829 CG HIS A 137 16.927 -17.688 -11.459 1.00 0.00 C ATOM 830 ND1 HIS A 137 15.847 -18.332 -10.868 1.00 0.00 N ATOM 831 CD2 HIS A 137 16.842 -16.390 -11.033 1.00 0.00 C ATOM 832 CE1 HIS A 137 15.193 -17.403 -10.141 1.00 0.00 C ATOM 833 NE2 HIS A 137 15.751 -16.191 -10.201 1.00 0.00 N ATOM 0 H HIS A 137 19.280 -17.513 -10.431 1.00 0.00 H new ATOM 0 HA HIS A 137 18.475 -20.183 -11.302 1.00 0.00 H new ATOM 0 HB2 HIS A 137 18.442 -17.646 -12.953 1.00 0.00 H new ATOM 0 HB3 HIS A 137 17.372 -19.029 -13.050 1.00 0.00 H new ATOM 0 HD2 HIS A 137 17.540 -15.615 -11.311 1.00 0.00 H new ATOM 0 HE1 HIS A 137 14.304 -17.618 -9.566 1.00 0.00 H new ATOM 0 HE2 HIS A 137 15.448 -15.330 -9.746 1.00 0.00 H new ATOM 841 N LEU A 138 20.664 -18.587 -13.209 1.00 0.00 N ATOM 842 CA LEU A 138 21.772 -18.820 -14.130 1.00 0.00 C ATOM 843 C LEU A 138 23.108 -18.458 -13.486 1.00 0.00 C ATOM 844 O LEU A 138 23.212 -17.470 -12.765 1.00 0.00 O ATOM 845 CB LEU A 138 21.549 -18.014 -15.424 1.00 0.00 C ATOM 846 CG LEU A 138 21.388 -16.511 -15.123 1.00 0.00 C ATOM 847 CD1 LEU A 138 22.334 -15.708 -16.014 1.00 0.00 C ATOM 848 CD2 LEU A 138 19.949 -16.076 -15.404 1.00 0.00 C ATOM 0 H LEU A 138 20.317 -17.628 -13.207 1.00 0.00 H new ATOM 0 HA LEU A 138 21.805 -19.881 -14.376 1.00 0.00 H new ATOM 0 HB2 LEU A 138 22.392 -18.164 -16.099 1.00 0.00 H new ATOM 0 HB3 LEU A 138 20.660 -18.382 -15.937 1.00 0.00 H new ATOM 0 HG LEU A 138 21.625 -16.331 -14.074 1.00 0.00 H new ATOM 0 HD11 LEU A 138 22.220 -14.645 -15.801 1.00 0.00 H new ATOM 0 HD12 LEU A 138 23.363 -16.009 -15.817 1.00 0.00 H new ATOM 0 HD13 LEU A 138 22.095 -15.896 -17.061 1.00 0.00 H new ATOM 0 HD21 LEU A 138 19.842 -15.013 -15.189 1.00 0.00 H new ATOM 0 HD22 LEU A 138 19.711 -16.260 -16.452 1.00 0.00 H new ATOM 0 HD23 LEU A 138 19.267 -16.644 -14.772 1.00 0.00 H new ATOM 860 N ASN A 139 24.136 -19.271 -13.764 1.00 0.00 N ATOM 861 CA ASN A 139 25.474 -19.036 -13.248 1.00 0.00 C ATOM 862 C ASN A 139 26.519 -19.726 -14.151 1.00 0.00 C ATOM 863 O ASN A 139 27.327 -20.512 -13.663 1.00 0.00 O ATOM 864 CB ASN A 139 25.543 -19.567 -11.807 1.00 0.00 C ATOM 865 CG ASN A 139 26.659 -18.892 -11.013 1.00 0.00 C ATOM 866 OD1 ASN A 139 27.826 -18.976 -11.378 1.00 0.00 O ATOM 867 ND2 ASN A 139 26.295 -18.222 -9.920 1.00 0.00 N ATOM 0 H ASN A 139 24.056 -20.102 -14.350 1.00 0.00 H new ATOM 0 HA ASN A 139 25.697 -17.969 -13.245 1.00 0.00 H new ATOM 0 HB2 ASN A 139 24.588 -19.397 -11.310 1.00 0.00 H new ATOM 0 HB3 ASN A 139 25.707 -20.644 -11.823 1.00 0.00 H new ATOM 0 HD21 ASN A 139 27.000 -17.753 -9.351 1.00 0.00 H new ATOM 0 HD22 ASN A 139 25.312 -18.178 -9.653 1.00 0.00 H new ATOM 874 N PRO A 140 26.512 -19.439 -15.479 1.00 0.00 N ATOM 875 CA PRO A 140 27.462 -20.026 -16.407 1.00 0.00 C ATOM 876 C PRO A 140 28.865 -19.482 -16.149 1.00 0.00 C ATOM 877 O PRO A 140 29.768 -20.241 -15.800 1.00 0.00 O ATOM 878 CB PRO A 140 26.971 -19.622 -17.799 1.00 0.00 C ATOM 879 CG PRO A 140 25.999 -18.461 -17.584 1.00 0.00 C ATOM 880 CD PRO A 140 25.572 -18.534 -16.118 1.00 0.00 C ATOM 0 HA PRO A 140 27.521 -21.109 -16.300 1.00 0.00 H new ATOM 0 HB2 PRO A 140 27.804 -19.321 -18.434 1.00 0.00 H new ATOM 0 HB3 PRO A 140 26.477 -20.457 -18.296 1.00 0.00 H new ATOM 0 HG2 PRO A 140 26.477 -17.506 -17.804 1.00 0.00 H new ATOM 0 HG3 PRO A 140 25.137 -18.546 -18.246 1.00 0.00 H new ATOM 0 HD2 PRO A 140 25.599 -17.549 -15.653 1.00 0.00 H new ATOM 0 HD3 PRO A 140 24.550 -18.902 -16.026 1.00 0.00 H new ATOM 888 N GLU A 141 29.031 -18.158 -16.333 1.00 0.00 N ATOM 889 CA GLU A 141 30.309 -17.470 -16.151 1.00 0.00 C ATOM 890 C GLU A 141 31.279 -17.845 -17.276 1.00 0.00 C ATOM 891 O GLU A 141 31.660 -16.997 -18.074 1.00 0.00 O ATOM 892 CB GLU A 141 30.896 -17.781 -14.760 1.00 0.00 C ATOM 893 CG GLU A 141 31.074 -16.478 -13.978 1.00 0.00 C ATOM 894 CD GLU A 141 31.373 -16.761 -12.515 1.00 0.00 C ATOM 895 OE1 GLU A 141 32.552 -17.052 -12.223 1.00 0.00 O ATOM 896 OE2 GLU A 141 30.414 -16.681 -11.716 1.00 0.00 O ATOM 0 H GLU A 141 28.272 -17.538 -16.614 1.00 0.00 H new ATOM 0 HA GLU A 141 30.144 -16.394 -16.202 1.00 0.00 H new ATOM 0 HB2 GLU A 141 30.234 -18.456 -14.217 1.00 0.00 H new ATOM 0 HB3 GLU A 141 31.855 -18.289 -14.863 1.00 0.00 H new ATOM 0 HG2 GLU A 141 31.886 -15.896 -14.413 1.00 0.00 H new ATOM 0 HG3 GLU A 141 30.170 -15.874 -14.059 1.00 0.00 H new HETATM 903 N NH2 A 142 31.675 -19.108 -17.345 1.00 0.00 N TER 906 NH2 A 142