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 Single : A 92 LYS NZ :NH3+ -162:sc= 1.31 (180deg=1.13) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.375 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= 0.28 X(o=0.28,f=-0.2) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 163:sc= 0.983 (180deg=-0.0675!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ -116:sc= -0.21 (180deg=-1.17) USER MOD Single : A 116 SER OG : rot 180:sc= 0.0281 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 HIS : no HE2:sc= -0.151 K(o=-0.15,f=-0.85) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= -0.444 K(o=-0.44,f=-5.5!) USER MOD Single : A 130 CYS SG : rot 83:sc= 0.147 USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 136 ASN : amide:sc= -0.0595 X(o=-0.059,f=-0.25) USER MOD Single : A 137 HIS : no HE2:sc= 0.227 K(o=0.23,f=-5.2!) USER MOD Single : A 139 ASN : amide:sc= 0.0358 X(o=0.036,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 90 10.188 -1.996 -3.087 1.00 0.00 N ATOM 2 CA LEU A 90 9.891 -2.939 -4.183 1.00 0.00 C ATOM 3 C LEU A 90 10.735 -4.200 -4.019 1.00 0.00 C ATOM 4 O LEU A 90 10.206 -5.246 -3.658 1.00 0.00 O ATOM 5 CB LEU A 90 10.159 -2.290 -5.555 1.00 0.00 C ATOM 6 CG LEU A 90 8.897 -1.596 -6.115 1.00 0.00 C ATOM 7 CD1 LEU A 90 7.844 -2.640 -6.509 1.00 0.00 C ATOM 8 CD2 LEU A 90 8.306 -0.627 -5.084 1.00 0.00 C ATOM 0 HA LEU A 90 8.835 -3.205 -4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.964 -1.561 -5.462 1.00 0.00 H new ATOM 0 HB3 LEU A 90 10.498 -3.051 -6.258 1.00 0.00 H new ATOM 0 HG LEU A 90 9.187 -1.030 -7.000 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.961 -2.136 -6.902 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.254 -3.300 -7.273 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.567 -3.226 -5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.419 -0.150 -5.500 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.034 -1.176 -4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.045 0.135 -4.836 1.00 0.00 H new ATOM 22 N ILE A 91 12.052 -4.082 -4.282 1.00 0.00 N ATOM 23 CA ILE A 91 12.997 -5.195 -4.172 1.00 0.00 C ATOM 24 C ILE A 91 12.750 -6.206 -5.298 1.00 0.00 C ATOM 25 O ILE A 91 11.609 -6.593 -5.553 1.00 0.00 O ATOM 26 CB ILE A 91 12.893 -5.856 -2.768 1.00 0.00 C ATOM 27 CG1 ILE A 91 14.235 -5.722 -2.022 1.00 0.00 C ATOM 28 CG2 ILE A 91 12.503 -7.342 -2.887 1.00 0.00 C ATOM 29 CD1 ILE A 91 15.308 -6.624 -2.645 1.00 0.00 C ATOM 0 H ILE A 91 12.485 -3.207 -4.577 1.00 0.00 H new ATOM 0 HA ILE A 91 14.014 -4.818 -4.281 1.00 0.00 H new ATOM 0 HB ILE A 91 12.115 -5.342 -2.204 1.00 0.00 H new ATOM 0 HG12 ILE A 91 14.568 -4.684 -2.050 1.00 0.00 H new ATOM 0 HG13 ILE A 91 14.099 -5.985 -0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 91 12.437 -7.782 -1.892 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.537 -7.426 -3.386 1.00 0.00 H new ATOM 0 HG23 ILE A 91 13.259 -7.871 -3.468 1.00 0.00 H new ATOM 0 HD11 ILE A 91 16.243 -6.508 -2.098 1.00 0.00 H new ATOM 0 HD12 ILE A 91 14.984 -7.663 -2.594 1.00 0.00 H new ATOM 0 HD13 ILE A 91 15.460 -6.342 -3.687 1.00 0.00 H new ATOM 41 N LYS A 92 13.831 -6.637 -5.968 1.00 0.00 N ATOM 42 CA LYS A 92 13.740 -7.621 -7.039 1.00 0.00 C ATOM 43 C LYS A 92 12.727 -7.152 -8.090 1.00 0.00 C ATOM 44 O LYS A 92 12.302 -5.996 -8.096 1.00 0.00 O ATOM 45 CB LYS A 92 13.319 -8.982 -6.426 1.00 0.00 C ATOM 46 CG LYS A 92 14.307 -10.100 -6.804 1.00 0.00 C ATOM 47 CD LYS A 92 13.895 -10.760 -8.122 1.00 0.00 C ATOM 48 CE LYS A 92 14.500 -12.169 -8.218 1.00 0.00 C ATOM 49 NZ LYS A 92 15.965 -12.146 -8.053 1.00 0.00 N ATOM 0 H LYS A 92 14.779 -6.312 -5.779 1.00 0.00 H new ATOM 0 HA LYS A 92 14.705 -7.736 -7.532 1.00 0.00 H new ATOM 0 HB2 LYS A 92 13.266 -8.893 -5.341 1.00 0.00 H new ATOM 0 HB3 LYS A 92 12.320 -9.245 -6.773 1.00 0.00 H new ATOM 0 HG2 LYS A 92 15.312 -9.689 -6.896 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.339 -10.847 -6.011 1.00 0.00 H new ATOM 0 HD2 LYS A 92 12.808 -10.817 -8.185 1.00 0.00 H new ATOM 0 HD3 LYS A 92 14.232 -10.153 -8.963 1.00 0.00 H new ATOM 0 HE2 LYS A 92 14.058 -12.808 -7.454 1.00 0.00 H new ATOM 0 HE3 LYS A 92 14.249 -12.608 -9.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 16.369 -13.032 -8.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 16.361 -11.342 -8.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 16.199 -12.048 -7.044 1.00 0.00 H new ATOM 63 N GLY A 93 12.348 -8.060 -8.972 1.00 0.00 N ATOM 64 CA GLY A 93 11.355 -7.816 -9.974 1.00 0.00 C ATOM 65 C GLY A 93 11.506 -8.899 -11.027 1.00 0.00 C ATOM 66 O GLY A 93 12.425 -9.714 -10.926 1.00 0.00 O ATOM 0 H GLY A 93 12.736 -9.003 -9.003 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.356 -7.839 -9.539 1.00 0.00 H new ATOM 0 HA3 GLY A 93 11.488 -6.828 -10.416 1.00 0.00 H new ATOM 70 N PRO A 94 10.635 -8.932 -12.036 1.00 0.00 N ATOM 71 CA PRO A 94 10.742 -9.900 -13.095 1.00 0.00 C ATOM 72 C PRO A 94 12.001 -9.603 -13.905 1.00 0.00 C ATOM 73 O PRO A 94 11.955 -8.827 -14.858 1.00 0.00 O ATOM 74 CB PRO A 94 9.468 -9.746 -13.925 1.00 0.00 C ATOM 75 CG PRO A 94 8.778 -8.464 -13.437 1.00 0.00 C ATOM 76 CD PRO A 94 9.524 -8.018 -12.177 1.00 0.00 C ATOM 0 HA PRO A 94 10.830 -10.926 -12.737 1.00 0.00 H new ATOM 0 HB2 PRO A 94 9.703 -9.679 -14.987 1.00 0.00 H new ATOM 0 HB3 PRO A 94 8.816 -10.610 -13.797 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.814 -7.689 -14.203 1.00 0.00 H new ATOM 0 HG3 PRO A 94 7.726 -8.649 -13.219 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.873 -6.990 -12.272 1.00 0.00 H new ATOM 0 HD3 PRO A 94 8.873 -8.055 -11.303 1.00 0.00 H new ATOM 84 N TRP A 95 13.133 -10.209 -13.507 1.00 0.00 N ATOM 85 CA TRP A 95 14.406 -9.982 -14.173 1.00 0.00 C ATOM 86 C TRP A 95 14.245 -10.090 -15.677 1.00 0.00 C ATOM 87 O TRP A 95 13.690 -11.062 -16.191 1.00 0.00 O ATOM 88 CB TRP A 95 15.456 -10.950 -13.649 1.00 0.00 C ATOM 89 CG TRP A 95 16.187 -10.415 -12.469 1.00 0.00 C ATOM 90 CD1 TRP A 95 15.696 -10.341 -11.230 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.521 -9.828 -12.398 1.00 0.00 C ATOM 92 NE1 TRP A 95 16.601 -9.757 -10.373 1.00 0.00 N ATOM 93 CE2 TRP A 95 17.759 -9.416 -11.049 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.556 -9.593 -13.332 1.00 0.00 C ATOM 95 CZ2 TRP A 95 18.952 -8.806 -10.652 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.762 -8.976 -12.935 1.00 0.00 C ATOM 97 CH2 TRP A 95 19.955 -8.579 -11.600 1.00 0.00 C ATOM 0 H TRP A 95 13.181 -10.860 -12.723 1.00 0.00 H new ATOM 0 HA TRP A 95 14.747 -8.971 -13.951 1.00 0.00 H new ATOM 0 HB2 TRP A 95 14.976 -11.890 -13.379 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.169 -11.173 -14.443 1.00 0.00 H new ATOM 0 HD1 TRP A 95 14.718 -10.693 -10.938 1.00 0.00 H new ATOM 0 HE1 TRP A 95 16.440 -9.598 -9.378 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.422 -9.889 -14.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.098 -8.513 -9.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.542 -8.808 -13.662 1.00 0.00 H new ATOM 0 HH2 TRP A 95 20.877 -8.099 -11.307 1.00 0.00 H new ATOM 108 N THR A 96 14.722 -9.061 -16.364 1.00 0.00 N ATOM 109 CA THR A 96 14.582 -8.936 -17.790 1.00 0.00 C ATOM 110 C THR A 96 15.823 -9.493 -18.486 1.00 0.00 C ATOM 111 O THR A 96 16.905 -9.528 -17.900 1.00 0.00 O ATOM 112 CB THR A 96 14.356 -7.449 -18.110 1.00 0.00 C ATOM 113 OG1 THR A 96 15.596 -6.773 -18.158 1.00 0.00 O ATOM 114 CG2 THR A 96 13.468 -6.813 -17.015 1.00 0.00 C ATOM 0 H THR A 96 15.222 -8.284 -15.931 1.00 0.00 H new ATOM 0 HA THR A 96 13.731 -9.511 -18.156 1.00 0.00 H new ATOM 0 HB THR A 96 13.862 -7.364 -19.078 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.445 -5.827 -18.364 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.308 -5.759 -17.243 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.507 -7.327 -16.982 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.962 -6.904 -16.048 1.00 0.00 H new ATOM 122 N LYS A 97 15.658 -9.936 -19.739 1.00 0.00 N ATOM 123 CA LYS A 97 16.751 -10.510 -20.512 1.00 0.00 C ATOM 124 C LYS A 97 17.931 -9.539 -20.569 1.00 0.00 C ATOM 125 O LYS A 97 19.082 -9.961 -20.500 1.00 0.00 O ATOM 126 CB LYS A 97 16.249 -10.844 -21.921 1.00 0.00 C ATOM 127 CG LYS A 97 17.324 -11.629 -22.685 1.00 0.00 C ATOM 128 CD LYS A 97 16.841 -11.943 -24.107 1.00 0.00 C ATOM 129 CE LYS A 97 15.763 -13.034 -24.072 1.00 0.00 C ATOM 130 NZ LYS A 97 15.428 -13.488 -25.434 1.00 0.00 N ATOM 0 H LYS A 97 14.768 -9.904 -20.236 1.00 0.00 H new ATOM 0 HA LYS A 97 17.097 -11.425 -20.031 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.332 -11.430 -21.861 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.006 -9.927 -22.457 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.247 -11.050 -22.726 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.552 -12.555 -22.158 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.441 -11.041 -24.570 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.681 -12.271 -24.720 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.114 -13.879 -23.479 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.868 -12.651 -23.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.697 -14.226 -25.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.072 -12.685 -25.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.279 -13.874 -25.890 1.00 0.00 H new ATOM 144 N GLU A 98 17.643 -8.239 -20.697 1.00 0.00 N ATOM 145 CA GLU A 98 18.682 -7.227 -20.767 1.00 0.00 C ATOM 146 C GLU A 98 19.396 -7.132 -19.422 1.00 0.00 C ATOM 147 O GLU A 98 20.620 -7.154 -19.371 1.00 0.00 O ATOM 148 CB GLU A 98 18.074 -5.878 -21.156 1.00 0.00 C ATOM 149 CG GLU A 98 19.193 -4.927 -21.595 1.00 0.00 C ATOM 150 CD GLU A 98 18.692 -3.494 -21.715 1.00 0.00 C ATOM 151 OE1 GLU A 98 17.470 -3.329 -21.909 1.00 0.00 O ATOM 152 OE2 GLU A 98 19.548 -2.587 -21.606 1.00 0.00 O ATOM 0 H GLU A 98 16.694 -7.871 -20.754 1.00 0.00 H new ATOM 0 HA GLU A 98 19.410 -7.506 -21.529 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.355 -6.010 -21.964 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.531 -5.454 -20.312 1.00 0.00 H new ATOM 0 HG2 GLU A 98 20.011 -4.969 -20.875 1.00 0.00 H new ATOM 0 HG3 GLU A 98 19.595 -5.255 -22.554 1.00 0.00 H new ATOM 159 N GLU A 99 18.625 -7.031 -18.331 1.00 0.00 N ATOM 160 CA GLU A 99 19.192 -6.947 -16.994 1.00 0.00 C ATOM 161 C GLU A 99 20.158 -8.110 -16.778 1.00 0.00 C ATOM 162 O GLU A 99 21.271 -7.920 -16.290 1.00 0.00 O ATOM 163 CB GLU A 99 18.060 -6.979 -15.963 1.00 0.00 C ATOM 164 CG GLU A 99 18.569 -6.468 -14.616 1.00 0.00 C ATOM 165 CD GLU A 99 18.380 -4.964 -14.500 1.00 0.00 C ATOM 166 OE1 GLU A 99 19.209 -4.237 -15.092 1.00 0.00 O ATOM 167 OE2 GLU A 99 17.408 -4.571 -13.822 1.00 0.00 O ATOM 0 H GLU A 99 17.606 -7.006 -18.357 1.00 0.00 H new ATOM 0 HA GLU A 99 19.743 -6.014 -16.878 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.228 -6.363 -16.304 1.00 0.00 H new ATOM 0 HB3 GLU A 99 17.682 -7.996 -15.857 1.00 0.00 H new ATOM 0 HG2 GLU A 99 18.036 -6.969 -13.808 1.00 0.00 H new ATOM 0 HG3 GLU A 99 19.625 -6.716 -14.504 1.00 0.00 H new ATOM 174 N ASP A 100 19.727 -9.314 -17.156 1.00 0.00 N ATOM 175 CA ASP A 100 20.546 -10.502 -17.030 1.00 0.00 C ATOM 176 C ASP A 100 21.780 -10.384 -17.921 1.00 0.00 C ATOM 177 O ASP A 100 22.886 -10.677 -17.480 1.00 0.00 O ATOM 178 CB ASP A 100 19.714 -11.729 -17.404 1.00 0.00 C ATOM 179 CG ASP A 100 19.031 -12.300 -16.182 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.747 -12.897 -15.353 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.801 -12.128 -16.094 1.00 0.00 O ATOM 0 H ASP A 100 18.804 -9.484 -17.555 1.00 0.00 H new ATOM 0 HA ASP A 100 20.885 -10.609 -16.000 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.968 -11.456 -18.150 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.355 -12.486 -17.856 1.00 0.00 H new ATOM 186 N GLN A 101 21.591 -9.953 -19.176 1.00 0.00 N ATOM 187 CA GLN A 101 22.693 -9.804 -20.118 1.00 0.00 C ATOM 188 C GLN A 101 23.781 -8.909 -19.517 1.00 0.00 C ATOM 189 O GLN A 101 24.969 -9.220 -19.633 1.00 0.00 O ATOM 190 CB GLN A 101 22.163 -9.225 -21.439 1.00 0.00 C ATOM 191 CG GLN A 101 23.303 -9.068 -22.457 1.00 0.00 C ATOM 192 CD GLN A 101 23.951 -10.411 -22.782 1.00 0.00 C ATOM 193 OE1 GLN A 101 23.500 -11.118 -23.678 1.00 0.00 O ATOM 194 NE2 GLN A 101 25.012 -10.760 -22.054 1.00 0.00 N ATOM 0 H GLN A 101 20.679 -9.702 -19.557 1.00 0.00 H new ATOM 0 HA GLN A 101 23.136 -10.779 -20.321 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.392 -9.880 -21.846 1.00 0.00 H new ATOM 0 HB3 GLN A 101 21.695 -8.257 -21.257 1.00 0.00 H new ATOM 0 HG2 GLN A 101 22.916 -8.619 -23.372 1.00 0.00 H new ATOM 0 HG3 GLN A 101 24.055 -8.386 -22.060 1.00 0.00 H new ATOM 0 HE21 GLN A 101 25.352 -10.140 -21.319 1.00 0.00 H new ATOM 0 HE22 GLN A 101 25.483 -11.647 -22.232 1.00 0.00 H new ATOM 203 N ARG A 102 23.377 -7.801 -18.875 1.00 0.00 N ATOM 204 CA ARG A 102 24.324 -6.885 -18.253 1.00 0.00 C ATOM 205 C ARG A 102 25.185 -7.651 -17.246 1.00 0.00 C ATOM 206 O ARG A 102 26.407 -7.652 -17.350 1.00 0.00 O ATOM 207 CB ARG A 102 23.578 -5.747 -17.540 1.00 0.00 C ATOM 208 CG ARG A 102 22.839 -4.854 -18.544 1.00 0.00 C ATOM 209 CD ARG A 102 21.891 -3.922 -17.777 1.00 0.00 C ATOM 210 NE ARG A 102 20.989 -3.200 -18.686 1.00 0.00 N ATOM 211 CZ ARG A 102 19.999 -2.394 -18.252 1.00 0.00 C ATOM 212 NH1 ARG A 102 19.672 -2.354 -16.953 1.00 0.00 N ATOM 213 NH2 ARG A 102 19.335 -1.627 -19.123 1.00 0.00 N ATOM 0 H ARG A 102 22.400 -7.525 -18.778 1.00 0.00 H new ATOM 0 HA ARG A 102 24.961 -6.453 -19.025 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.866 -6.165 -16.828 1.00 0.00 H new ATOM 0 HB3 ARG A 102 24.286 -5.147 -16.968 1.00 0.00 H new ATOM 0 HG2 ARG A 102 23.552 -4.270 -19.126 1.00 0.00 H new ATOM 0 HG3 ARG A 102 22.277 -5.466 -19.250 1.00 0.00 H new ATOM 0 HD2 ARG A 102 21.303 -4.504 -17.067 1.00 0.00 H new ATOM 0 HD3 ARG A 102 22.474 -3.206 -17.197 1.00 0.00 H new ATOM 0 HE ARG A 102 21.118 -3.314 -19.691 1.00 0.00 H new ATOM 0 HH11 ARG A 102 20.174 -2.937 -16.283 1.00 0.00 H new ATOM 0 HH12 ARG A 102 18.922 -1.741 -16.635 1.00 0.00 H new ATOM 0 HH21 ARG A 102 19.578 -1.652 -20.113 1.00 0.00 H new ATOM 0 HH22 ARG A 102 18.586 -1.016 -18.797 1.00 0.00 H new ATOM 227 N VAL A 103 24.538 -8.300 -16.268 1.00 0.00 N ATOM 228 CA VAL A 103 25.243 -9.039 -15.226 1.00 0.00 C ATOM 229 C VAL A 103 26.157 -10.100 -15.843 1.00 0.00 C ATOM 230 O VAL A 103 27.326 -10.174 -15.494 1.00 0.00 O ATOM 231 CB VAL A 103 24.227 -9.683 -14.269 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.960 -10.564 -13.253 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.463 -8.591 -13.519 1.00 0.00 C ATOM 0 H VAL A 103 23.522 -8.324 -16.182 1.00 0.00 H new ATOM 0 HA VAL A 103 25.868 -8.347 -14.661 1.00 0.00 H new ATOM 0 HB VAL A 103 23.530 -10.290 -14.847 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.236 -11.019 -12.577 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.507 -11.347 -13.778 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.659 -9.954 -12.680 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.743 -9.050 -12.841 1.00 0.00 H new ATOM 0 HG22 VAL A 103 24.164 -7.984 -12.947 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.936 -7.959 -14.234 1.00 0.00 H new ATOM 243 N ILE A 104 25.620 -10.921 -16.752 1.00 0.00 N ATOM 244 CA ILE A 104 26.387 -11.985 -17.394 1.00 0.00 C ATOM 245 C ILE A 104 27.700 -11.429 -17.955 1.00 0.00 C ATOM 246 O ILE A 104 28.777 -11.942 -17.645 1.00 0.00 O ATOM 247 CB ILE A 104 25.536 -12.618 -18.511 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.415 -13.470 -17.897 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.418 -13.500 -19.408 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.391 -13.845 -18.972 1.00 0.00 C ATOM 0 H ILE A 104 24.649 -10.865 -17.059 1.00 0.00 H new ATOM 0 HA ILE A 104 26.636 -12.751 -16.660 1.00 0.00 H new ATOM 0 HB ILE A 104 25.096 -11.822 -19.111 1.00 0.00 H new ATOM 0 HG12 ILE A 104 24.835 -14.373 -17.453 1.00 0.00 H new ATOM 0 HG13 ILE A 104 23.926 -12.918 -17.094 1.00 0.00 H new ATOM 0 HG21 ILE A 104 25.808 -13.943 -20.195 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.203 -12.892 -19.857 1.00 0.00 H new ATOM 0 HG23 ILE A 104 26.869 -14.291 -18.809 1.00 0.00 H new ATOM 0 HD11 ILE A 104 22.600 -14.449 -18.527 1.00 0.00 H new ATOM 0 HD12 ILE A 104 22.960 -12.938 -19.396 1.00 0.00 H new ATOM 0 HD13 ILE A 104 23.883 -14.415 -19.760 1.00 0.00 H new ATOM 262 N GLU A 105 27.605 -10.384 -18.782 1.00 0.00 N ATOM 263 CA GLU A 105 28.772 -9.781 -19.408 1.00 0.00 C ATOM 264 C GLU A 105 29.722 -9.222 -18.345 1.00 0.00 C ATOM 265 O GLU A 105 30.924 -9.478 -18.389 1.00 0.00 O ATOM 266 CB GLU A 105 28.296 -8.675 -20.365 1.00 0.00 C ATOM 267 CG GLU A 105 29.456 -8.192 -21.253 1.00 0.00 C ATOM 268 CD GLU A 105 30.336 -7.163 -20.544 1.00 0.00 C ATOM 269 OE1 GLU A 105 29.773 -6.342 -19.788 1.00 0.00 O ATOM 270 OE2 GLU A 105 31.562 -7.208 -20.775 1.00 0.00 O ATOM 0 H GLU A 105 26.722 -9.939 -19.031 1.00 0.00 H new ATOM 0 HA GLU A 105 29.324 -10.533 -19.972 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.485 -9.051 -20.989 1.00 0.00 H new ATOM 0 HB3 GLU A 105 27.896 -7.838 -19.792 1.00 0.00 H new ATOM 0 HG2 GLU A 105 30.065 -9.046 -21.549 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.054 -7.755 -22.167 1.00 0.00 H new ATOM 277 N LEU A 106 29.181 -8.453 -17.398 1.00 0.00 N ATOM 278 CA LEU A 106 29.980 -7.812 -16.364 1.00 0.00 C ATOM 279 C LEU A 106 30.670 -8.842 -15.464 1.00 0.00 C ATOM 280 O LEU A 106 31.759 -8.578 -14.970 1.00 0.00 O ATOM 281 CB LEU A 106 29.087 -6.884 -15.539 1.00 0.00 C ATOM 282 CG LEU A 106 28.607 -5.703 -16.400 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.458 -4.997 -15.687 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.753 -4.711 -16.622 1.00 0.00 C ATOM 0 H LEU A 106 28.182 -8.261 -17.330 1.00 0.00 H new ATOM 0 HA LEU A 106 30.766 -7.229 -16.844 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.229 -7.438 -15.158 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.637 -6.513 -14.674 1.00 0.00 H new ATOM 0 HG LEU A 106 28.271 -6.078 -17.366 1.00 0.00 H new ATOM 0 HD11 LEU A 106 27.114 -4.159 -16.293 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.637 -5.698 -15.538 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.801 -4.629 -14.720 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.401 -3.879 -17.233 1.00 0.00 H new ATOM 0 HD22 LEU A 106 30.099 -4.334 -15.660 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.575 -5.213 -17.132 1.00 0.00 H new ATOM 296 N VAL A 107 30.054 -10.010 -15.246 1.00 0.00 N ATOM 297 CA VAL A 107 30.649 -11.041 -14.408 1.00 0.00 C ATOM 298 C VAL A 107 31.786 -11.702 -15.178 1.00 0.00 C ATOM 299 O VAL A 107 32.876 -11.877 -14.644 1.00 0.00 O ATOM 300 CB VAL A 107 29.580 -12.063 -13.990 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.253 -13.323 -13.434 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.687 -11.454 -12.905 1.00 0.00 C ATOM 0 H VAL A 107 29.146 -10.258 -15.640 1.00 0.00 H new ATOM 0 HA VAL A 107 31.053 -10.601 -13.496 1.00 0.00 H new ATOM 0 HB VAL A 107 28.979 -12.325 -14.861 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.490 -14.043 -13.140 1.00 0.00 H new ATOM 0 HG12 VAL A 107 30.891 -13.763 -14.200 1.00 0.00 H new ATOM 0 HG13 VAL A 107 30.858 -13.060 -12.566 1.00 0.00 H new ATOM 0 HG21 VAL A 107 27.929 -12.179 -12.609 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.295 -11.190 -12.039 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.201 -10.559 -13.294 1.00 0.00 H new ATOM 312 N GLN A 108 31.532 -12.058 -16.441 1.00 0.00 N ATOM 313 CA GLN A 108 32.548 -12.660 -17.289 1.00 0.00 C ATOM 314 C GLN A 108 33.750 -11.716 -17.395 1.00 0.00 C ATOM 315 O GLN A 108 34.894 -12.164 -17.435 1.00 0.00 O ATOM 316 CB GLN A 108 31.942 -12.935 -18.671 1.00 0.00 C ATOM 317 CG GLN A 108 32.971 -13.631 -19.568 1.00 0.00 C ATOM 318 CD GLN A 108 32.351 -14.017 -20.906 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.280 -15.195 -21.244 1.00 0.00 O ATOM 320 NE2 GLN A 108 31.902 -13.020 -21.669 1.00 0.00 N ATOM 0 H GLN A 108 30.626 -11.936 -16.894 1.00 0.00 H new ATOM 0 HA GLN A 108 32.890 -13.602 -16.861 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.055 -13.560 -18.570 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.622 -11.999 -19.129 1.00 0.00 H new ATOM 0 HG2 GLN A 108 33.822 -12.970 -19.734 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.352 -14.522 -19.068 1.00 0.00 H new ATOM 0 HE21 GLN A 108 31.982 -12.055 -21.347 1.00 0.00 H new ATOM 0 HE22 GLN A 108 31.478 -13.222 -22.575 1.00 0.00 H new ATOM 329 N LYS A 109 33.475 -10.407 -17.439 1.00 0.00 N ATOM 330 CA LYS A 109 34.507 -9.391 -17.547 1.00 0.00 C ATOM 331 C LYS A 109 35.259 -9.243 -16.221 1.00 0.00 C ATOM 332 O LYS A 109 36.465 -9.473 -16.163 1.00 0.00 O ATOM 333 CB LYS A 109 33.839 -8.072 -17.946 1.00 0.00 C ATOM 334 CG LYS A 109 34.902 -7.005 -18.239 1.00 0.00 C ATOM 335 CD LYS A 109 34.368 -6.013 -19.279 1.00 0.00 C ATOM 336 CE LYS A 109 33.176 -5.233 -18.706 1.00 0.00 C ATOM 337 NZ LYS A 109 32.293 -4.757 -19.784 1.00 0.00 N ATOM 0 H LYS A 109 32.528 -10.031 -17.400 1.00 0.00 H new ATOM 0 HA LYS A 109 35.237 -9.679 -18.304 1.00 0.00 H new ATOM 0 HB2 LYS A 109 33.214 -8.224 -18.826 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.183 -7.732 -17.145 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.164 -6.478 -17.322 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.813 -7.477 -18.607 1.00 0.00 H new ATOM 0 HD2 LYS A 109 35.158 -5.321 -19.571 1.00 0.00 H new ATOM 0 HD3 LYS A 109 34.063 -6.547 -20.179 1.00 0.00 H new ATOM 0 HE2 LYS A 109 32.613 -5.870 -18.024 1.00 0.00 H new ATOM 0 HE3 LYS A 109 33.537 -4.385 -18.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 31.369 -4.494 -19.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 32.721 -3.928 -20.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 32.164 -5.513 -20.486 1.00 0.00 H new ATOM 351 N TYR A 110 34.543 -8.846 -15.161 1.00 0.00 N ATOM 352 CA TYR A 110 35.141 -8.637 -13.851 1.00 0.00 C ATOM 353 C TYR A 110 35.291 -9.973 -13.124 1.00 0.00 C ATOM 354 O TYR A 110 36.375 -10.553 -13.112 1.00 0.00 O ATOM 355 CB TYR A 110 34.265 -7.665 -13.045 1.00 0.00 C ATOM 356 CG TYR A 110 34.275 -6.249 -13.584 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.489 -5.544 -13.691 1.00 0.00 C ATOM 358 CD2 TYR A 110 33.071 -5.633 -13.971 1.00 0.00 C ATOM 359 CE1 TYR A 110 35.497 -4.230 -14.187 1.00 0.00 C ATOM 360 CE2 TYR A 110 33.082 -4.318 -14.465 1.00 0.00 C ATOM 361 CZ TYR A 110 34.293 -3.617 -14.574 1.00 0.00 C ATOM 362 OH TYR A 110 34.300 -2.342 -15.056 1.00 0.00 O ATOM 0 H TYR A 110 33.540 -8.664 -15.194 1.00 0.00 H new ATOM 0 HA TYR A 110 36.135 -8.203 -13.963 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.240 -8.035 -13.037 1.00 0.00 H new ATOM 0 HB3 TYR A 110 34.607 -7.653 -12.010 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.414 -6.014 -13.392 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.138 -6.171 -13.888 1.00 0.00 H new ATOM 0 HE1 TYR A 110 36.429 -3.690 -14.271 1.00 0.00 H new ATOM 0 HE2 TYR A 110 32.157 -3.846 -14.761 1.00 0.00 H new ATOM 0 HH TYR A 110 33.385 -2.071 -15.278 1.00 0.00 H new ATOM 372 N GLY A 111 34.203 -10.453 -12.513 1.00 0.00 N ATOM 373 CA GLY A 111 34.211 -11.706 -11.775 1.00 0.00 C ATOM 374 C GLY A 111 33.207 -11.637 -10.625 1.00 0.00 C ATOM 375 O GLY A 111 32.657 -10.570 -10.348 1.00 0.00 O ATOM 0 H GLY A 111 33.299 -9.981 -12.520 1.00 0.00 H new ATOM 0 HA2 GLY A 111 33.959 -12.532 -12.440 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.210 -11.903 -11.386 1.00 0.00 H new ATOM 379 N PRO A 112 32.964 -12.773 -9.950 1.00 0.00 N ATOM 380 CA PRO A 112 32.045 -12.839 -8.835 1.00 0.00 C ATOM 381 C PRO A 112 32.606 -12.074 -7.634 1.00 0.00 C ATOM 382 O PRO A 112 33.798 -11.773 -7.588 1.00 0.00 O ATOM 383 CB PRO A 112 31.887 -14.330 -8.520 1.00 0.00 C ATOM 384 CG PRO A 112 32.964 -15.068 -9.326 1.00 0.00 C ATOM 385 CD PRO A 112 33.590 -14.039 -10.269 1.00 0.00 C ATOM 0 HA PRO A 112 31.084 -12.382 -9.070 1.00 0.00 H new ATOM 0 HB2 PRO A 112 32.008 -14.515 -7.453 1.00 0.00 H new ATOM 0 HB3 PRO A 112 30.892 -14.680 -8.793 1.00 0.00 H new ATOM 0 HG2 PRO A 112 33.718 -15.495 -8.664 1.00 0.00 H new ATOM 0 HG3 PRO A 112 32.528 -15.894 -9.889 1.00 0.00 H new ATOM 0 HD2 PRO A 112 34.670 -13.987 -10.128 1.00 0.00 H new ATOM 0 HD3 PRO A 112 33.417 -14.308 -11.311 1.00 0.00 H new ATOM 393 N LYS A 113 31.731 -11.767 -6.664 1.00 0.00 N ATOM 394 CA LYS A 113 32.104 -11.047 -5.444 1.00 0.00 C ATOM 395 C LYS A 113 32.592 -9.629 -5.765 1.00 0.00 C ATOM 396 O LYS A 113 33.386 -9.062 -5.016 1.00 0.00 O ATOM 397 CB LYS A 113 33.172 -11.826 -4.666 1.00 0.00 C ATOM 398 CG LYS A 113 32.689 -13.257 -4.408 1.00 0.00 C ATOM 399 CD LYS A 113 33.493 -13.891 -3.265 1.00 0.00 C ATOM 400 CE LYS A 113 34.970 -14.030 -3.660 1.00 0.00 C ATOM 401 NZ LYS A 113 35.746 -12.835 -3.274 1.00 0.00 N ATOM 0 H LYS A 113 30.742 -12.014 -6.707 1.00 0.00 H new ATOM 0 HA LYS A 113 31.216 -10.960 -4.819 1.00 0.00 H new ATOM 0 HB2 LYS A 113 34.105 -11.844 -5.230 1.00 0.00 H new ATOM 0 HB3 LYS A 113 33.381 -11.327 -3.720 1.00 0.00 H new ATOM 0 HG2 LYS A 113 31.629 -13.251 -4.156 1.00 0.00 H new ATOM 0 HG3 LYS A 113 32.798 -13.854 -5.313 1.00 0.00 H new ATOM 0 HD2 LYS A 113 33.406 -13.278 -2.368 1.00 0.00 H new ATOM 0 HD3 LYS A 113 33.081 -14.871 -3.023 1.00 0.00 H new ATOM 0 HE2 LYS A 113 35.395 -14.912 -3.181 1.00 0.00 H new ATOM 0 HE3 LYS A 113 35.047 -14.184 -4.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 36.109 -12.366 -4.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 35.133 -12.177 -2.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 36.543 -13.119 -2.670 1.00 0.00 H new ATOM 415 N ARG A 114 32.099 -9.059 -6.869 1.00 0.00 N ATOM 416 CA ARG A 114 32.422 -7.690 -7.267 1.00 0.00 C ATOM 417 C ARG A 114 31.111 -6.952 -7.527 1.00 0.00 C ATOM 418 O ARG A 114 31.020 -6.109 -8.420 1.00 0.00 O ATOM 419 CB ARG A 114 33.310 -7.707 -8.516 1.00 0.00 C ATOM 420 CG ARG A 114 34.640 -8.399 -8.198 1.00 0.00 C ATOM 421 CD ARG A 114 35.503 -8.452 -9.457 1.00 0.00 C ATOM 422 NE ARG A 114 36.718 -9.243 -9.229 1.00 0.00 N ATOM 423 CZ ARG A 114 37.702 -9.355 -10.139 1.00 0.00 C ATOM 424 NH1 ARG A 114 37.654 -8.644 -11.273 1.00 0.00 N ATOM 425 NH2 ARG A 114 38.731 -10.180 -9.910 1.00 0.00 N ATOM 0 H ARG A 114 31.465 -9.536 -7.510 1.00 0.00 H new ATOM 0 HA ARG A 114 32.974 -7.177 -6.480 1.00 0.00 H new ATOM 0 HB2 ARG A 114 32.803 -8.229 -9.327 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.492 -6.688 -8.858 1.00 0.00 H new ATOM 0 HG2 ARG A 114 35.163 -7.859 -7.409 1.00 0.00 H new ATOM 0 HG3 ARG A 114 34.457 -9.408 -7.827 1.00 0.00 H new ATOM 0 HD2 ARG A 114 34.931 -8.886 -10.277 1.00 0.00 H new ATOM 0 HD3 ARG A 114 35.775 -7.440 -9.759 1.00 0.00 H new ATOM 0 HE ARG A 114 36.821 -9.731 -8.339 1.00 0.00 H new ATOM 0 HH11 ARG A 114 36.870 -8.016 -11.448 1.00 0.00 H new ATOM 0 HH12 ARG A 114 38.402 -8.731 -11.961 1.00 0.00 H new ATOM 0 HH21 ARG A 114 38.768 -10.722 -9.047 1.00 0.00 H new ATOM 0 HH22 ARG A 114 39.478 -10.267 -10.599 1.00 0.00 H new ATOM 439 N TRP A 115 30.093 -7.293 -6.732 1.00 0.00 N ATOM 440 CA TRP A 115 28.760 -6.733 -6.864 1.00 0.00 C ATOM 441 C TRP A 115 28.764 -5.235 -6.579 1.00 0.00 C ATOM 442 O TRP A 115 27.883 -4.519 -7.044 1.00 0.00 O ATOM 443 CB TRP A 115 27.830 -7.498 -5.924 1.00 0.00 C ATOM 444 CG TRP A 115 27.894 -8.977 -6.135 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.344 -9.887 -5.253 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.548 -9.735 -7.329 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.320 -11.150 -5.796 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.838 -11.115 -7.093 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.028 -9.399 -8.600 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.635 -12.097 -8.065 1.00 0.00 C ATOM 451 CZ3 TRP A 115 26.813 -10.390 -9.577 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.126 -11.729 -9.314 1.00 0.00 C ATOM 0 H TRP A 115 30.179 -7.971 -5.975 1.00 0.00 H new ATOM 0 HA TRP A 115 28.402 -6.843 -7.888 1.00 0.00 H new ATOM 0 HB2 TRP A 115 28.094 -7.270 -4.891 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.806 -7.157 -6.074 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.679 -9.657 -4.253 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.617 -11.996 -5.310 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.793 -8.369 -8.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 27.869 -13.130 -7.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.403 -10.115 -10.538 1.00 0.00 H new ATOM 0 HH2 TRP A 115 26.974 -12.478 -10.077 1.00 0.00 H new ATOM 463 N SER A 116 29.760 -4.758 -5.829 1.00 0.00 N ATOM 464 CA SER A 116 29.884 -3.344 -5.525 1.00 0.00 C ATOM 465 C SER A 116 30.180 -2.554 -6.804 1.00 0.00 C ATOM 466 O SER A 116 29.841 -1.378 -6.888 1.00 0.00 O ATOM 467 CB SER A 116 31.000 -3.151 -4.497 1.00 0.00 C ATOM 468 OG SER A 116 32.150 -3.862 -4.909 1.00 0.00 O ATOM 0 H SER A 116 30.493 -5.340 -5.422 1.00 0.00 H new ATOM 0 HA SER A 116 28.948 -2.972 -5.109 1.00 0.00 H new ATOM 0 HB2 SER A 116 31.233 -2.091 -4.392 1.00 0.00 H new ATOM 0 HB3 SER A 116 30.673 -3.504 -3.519 1.00 0.00 H new ATOM 0 HG SER A 116 32.865 -3.737 -4.251 1.00 0.00 H new ATOM 474 N VAL A 117 30.810 -3.209 -7.794 1.00 0.00 N ATOM 475 CA VAL A 117 31.138 -2.582 -9.070 1.00 0.00 C ATOM 476 C VAL A 117 30.043 -2.894 -10.083 1.00 0.00 C ATOM 477 O VAL A 117 29.587 -2.007 -10.791 1.00 0.00 O ATOM 478 CB VAL A 117 32.501 -3.104 -9.554 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.820 -2.535 -10.940 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.594 -2.679 -8.568 1.00 0.00 C ATOM 0 H VAL A 117 31.102 -4.184 -7.725 1.00 0.00 H new ATOM 0 HA VAL A 117 31.201 -1.500 -8.953 1.00 0.00 H new ATOM 0 HB VAL A 117 32.462 -4.192 -9.613 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.787 -2.911 -11.274 1.00 0.00 H new ATOM 0 HG12 VAL A 117 32.048 -2.842 -11.646 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.852 -1.447 -10.888 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.559 -3.050 -8.913 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.625 -1.591 -8.505 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.377 -3.093 -7.583 1.00 0.00 H new ATOM 490 N ILE A 118 29.617 -4.157 -10.151 1.00 0.00 N ATOM 491 CA ILE A 118 28.575 -4.565 -11.083 1.00 0.00 C ATOM 492 C ILE A 118 27.308 -3.727 -10.843 1.00 0.00 C ATOM 493 O ILE A 118 26.641 -3.333 -11.798 1.00 0.00 O ATOM 494 CB ILE A 118 28.308 -6.072 -10.920 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.557 -6.861 -11.364 1.00 0.00 C ATOM 496 CG2 ILE A 118 27.108 -6.488 -11.780 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.574 -8.245 -10.714 1.00 0.00 C ATOM 0 H ILE A 118 29.981 -4.912 -9.570 1.00 0.00 H new ATOM 0 HA ILE A 118 28.896 -4.390 -12.110 1.00 0.00 H new ATOM 0 HB ILE A 118 28.088 -6.287 -9.874 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.564 -6.962 -12.449 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.458 -6.312 -11.089 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.926 -7.556 -11.659 1.00 0.00 H new ATOM 0 HG22 ILE A 118 26.225 -5.932 -11.466 1.00 0.00 H new ATOM 0 HG23 ILE A 118 27.319 -6.273 -12.827 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.462 -8.788 -11.038 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.590 -8.137 -9.629 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.682 -8.797 -11.011 1.00 0.00 H new ATOM 509 N ALA A 119 26.987 -3.446 -9.567 1.00 0.00 N ATOM 510 CA ALA A 119 25.810 -2.652 -9.217 1.00 0.00 C ATOM 511 C ALA A 119 25.896 -1.247 -9.827 1.00 0.00 C ATOM 512 O ALA A 119 24.871 -0.658 -10.162 1.00 0.00 O ATOM 513 CB ALA A 119 25.694 -2.563 -7.696 1.00 0.00 C ATOM 0 H ALA A 119 27.532 -3.761 -8.764 1.00 0.00 H new ATOM 0 HA ALA A 119 24.923 -3.139 -9.622 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.817 -1.972 -7.432 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.594 -3.565 -7.279 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.587 -2.089 -7.290 1.00 0.00 H new ATOM 519 N LYS A 120 27.119 -0.710 -9.968 1.00 0.00 N ATOM 520 CA LYS A 120 27.325 0.626 -10.527 1.00 0.00 C ATOM 521 C LYS A 120 26.754 0.696 -11.940 1.00 0.00 C ATOM 522 O LYS A 120 26.263 1.742 -12.366 1.00 0.00 O ATOM 523 CB LYS A 120 28.827 0.950 -10.575 1.00 0.00 C ATOM 524 CG LYS A 120 29.456 0.851 -9.185 1.00 0.00 C ATOM 525 CD LYS A 120 29.010 2.031 -8.320 1.00 0.00 C ATOM 526 CE LYS A 120 30.075 2.302 -7.258 1.00 0.00 C ATOM 527 NZ LYS A 120 29.650 3.373 -6.340 1.00 0.00 N ATOM 0 H LYS A 120 27.980 -1.187 -9.700 1.00 0.00 H new ATOM 0 HA LYS A 120 26.815 1.351 -9.892 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.329 0.262 -11.255 1.00 0.00 H new ATOM 0 HB3 LYS A 120 28.973 1.954 -10.973 1.00 0.00 H new ATOM 0 HG2 LYS A 120 29.165 -0.087 -8.712 1.00 0.00 H new ATOM 0 HG3 LYS A 120 30.543 0.842 -9.269 1.00 0.00 H new ATOM 0 HD2 LYS A 120 28.862 2.916 -8.939 1.00 0.00 H new ATOM 0 HD3 LYS A 120 28.054 1.810 -7.846 1.00 0.00 H new ATOM 0 HE2 LYS A 120 30.269 1.390 -6.693 1.00 0.00 H new ATOM 0 HE3 LYS A 120 31.011 2.583 -7.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 30.392 3.536 -5.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 29.488 4.248 -6.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 28.770 3.092 -5.863 1.00 0.00 H new ATOM 541 N HIS A 121 26.839 -0.420 -12.666 1.00 0.00 N ATOM 542 CA HIS A 121 26.399 -0.492 -14.045 1.00 0.00 C ATOM 543 C HIS A 121 24.953 -0.973 -14.097 1.00 0.00 C ATOM 544 O HIS A 121 24.190 -0.554 -14.967 1.00 0.00 O ATOM 545 CB HIS A 121 27.345 -1.431 -14.797 1.00 0.00 C ATOM 546 CG HIS A 121 28.782 -1.239 -14.364 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.366 0.018 -14.239 1.00 0.00 N ATOM 548 CD2 HIS A 121 29.764 -2.120 -13.988 1.00 0.00 C ATOM 549 CE1 HIS A 121 30.629 -0.179 -13.809 1.00 0.00 C ATOM 550 NE2 HIS A 121 30.935 -1.465 -13.636 1.00 0.00 N ATOM 0 H HIS A 121 27.217 -1.297 -12.306 1.00 0.00 H new ATOM 0 HA HIS A 121 26.429 0.489 -14.520 1.00 0.00 H new ATOM 0 HB2 HIS A 121 27.047 -2.465 -14.622 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.260 -1.252 -15.869 1.00 0.00 H new ATOM 0 HD1 HIS A 121 28.924 0.916 -14.435 1.00 0.00 H new ATOM 0 HD2 HIS A 121 29.640 -3.193 -13.968 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.324 0.626 -13.623 1.00 0.00 H new ATOM 558 N LEU A 122 24.576 -1.844 -13.152 1.00 0.00 N ATOM 559 CA LEU A 122 23.214 -2.343 -13.055 1.00 0.00 C ATOM 560 C LEU A 122 22.353 -1.286 -12.356 1.00 0.00 C ATOM 561 O LEU A 122 21.870 -1.496 -11.242 1.00 0.00 O ATOM 562 CB LEU A 122 23.212 -3.676 -12.275 1.00 0.00 C ATOM 563 CG LEU A 122 23.245 -4.885 -13.225 1.00 0.00 C ATOM 564 CD1 LEU A 122 21.926 -4.986 -13.991 1.00 0.00 C ATOM 565 CD2 LEU A 122 24.405 -4.771 -14.213 1.00 0.00 C ATOM 0 H LEU A 122 25.207 -2.215 -12.442 1.00 0.00 H new ATOM 0 HA LEU A 122 22.800 -2.531 -14.046 1.00 0.00 H new ATOM 0 HB2 LEU A 122 24.075 -3.711 -11.610 1.00 0.00 H new ATOM 0 HB3 LEU A 122 22.323 -3.730 -11.647 1.00 0.00 H new ATOM 0 HG LEU A 122 23.387 -5.784 -12.625 1.00 0.00 H new ATOM 0 HD11 LEU A 122 21.959 -5.845 -14.661 1.00 0.00 H new ATOM 0 HD12 LEU A 122 21.104 -5.108 -13.286 1.00 0.00 H new ATOM 0 HD13 LEU A 122 21.773 -4.077 -14.573 1.00 0.00 H new ATOM 0 HD21 LEU A 122 24.407 -5.638 -14.874 1.00 0.00 H new ATOM 0 HD22 LEU A 122 24.290 -3.863 -14.806 1.00 0.00 H new ATOM 0 HD23 LEU A 122 25.347 -4.730 -13.665 1.00 0.00 H new ATOM 577 N LYS A 123 22.166 -0.141 -13.022 1.00 0.00 N ATOM 578 CA LYS A 123 21.377 0.952 -12.479 1.00 0.00 C ATOM 579 C LYS A 123 19.955 0.468 -12.207 1.00 0.00 C ATOM 580 O LYS A 123 19.380 -0.262 -13.014 1.00 0.00 O ATOM 581 CB LYS A 123 21.379 2.123 -13.465 1.00 0.00 C ATOM 582 CG LYS A 123 22.800 2.684 -13.593 1.00 0.00 C ATOM 583 CD LYS A 123 22.794 3.891 -14.533 1.00 0.00 C ATOM 584 CE LYS A 123 24.218 4.436 -14.673 1.00 0.00 C ATOM 585 NZ LYS A 123 24.254 5.601 -15.576 1.00 0.00 N ATOM 0 H LYS A 123 22.557 0.046 -13.945 1.00 0.00 H new ATOM 0 HA LYS A 123 21.811 1.293 -11.539 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.019 1.792 -14.439 1.00 0.00 H new ATOM 0 HB3 LYS A 123 20.699 2.902 -13.121 1.00 0.00 H new ATOM 0 HG2 LYS A 123 23.176 2.976 -12.612 1.00 0.00 H new ATOM 0 HG3 LYS A 123 23.472 1.916 -13.976 1.00 0.00 H new ATOM 0 HD2 LYS A 123 22.406 3.603 -15.510 1.00 0.00 H new ATOM 0 HD3 LYS A 123 22.133 4.666 -14.143 1.00 0.00 H new ATOM 0 HE2 LYS A 123 24.600 4.720 -13.692 1.00 0.00 H new ATOM 0 HE3 LYS A 123 24.874 3.654 -15.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 25.230 5.950 -15.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 23.911 5.321 -16.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 23.646 6.354 -15.196 1.00 0.00 H new ATOM 599 N GLY A 124 19.397 0.871 -11.059 1.00 0.00 N ATOM 600 CA GLY A 124 18.063 0.458 -10.652 1.00 0.00 C ATOM 601 C GLY A 124 18.171 -0.676 -9.638 1.00 0.00 C ATOM 602 O GLY A 124 17.427 -0.710 -8.659 1.00 0.00 O ATOM 0 H GLY A 124 19.861 1.490 -10.394 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.527 1.301 -10.216 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.491 0.131 -11.520 1.00 0.00 H new ATOM 606 N ARG A 125 19.108 -1.603 -9.876 1.00 0.00 N ATOM 607 CA ARG A 125 19.340 -2.728 -8.984 1.00 0.00 C ATOM 608 C ARG A 125 20.471 -2.378 -8.018 1.00 0.00 C ATOM 609 O ARG A 125 21.069 -1.307 -8.120 1.00 0.00 O ATOM 610 CB ARG A 125 19.703 -3.964 -9.813 1.00 0.00 C ATOM 611 CG ARG A 125 18.548 -4.313 -10.770 1.00 0.00 C ATOM 612 CD ARG A 125 18.011 -5.726 -10.493 1.00 0.00 C ATOM 613 NE ARG A 125 16.589 -5.685 -10.117 1.00 0.00 N ATOM 614 CZ ARG A 125 15.576 -5.942 -10.968 1.00 0.00 C ATOM 615 NH1 ARG A 125 15.815 -6.231 -12.254 1.00 0.00 N ATOM 616 NH2 ARG A 125 14.315 -5.906 -10.522 1.00 0.00 N ATOM 0 H ARG A 125 19.720 -1.587 -10.691 1.00 0.00 H new ATOM 0 HA ARG A 125 18.440 -2.944 -8.409 1.00 0.00 H new ATOM 0 HB2 ARG A 125 20.614 -3.776 -10.382 1.00 0.00 H new ATOM 0 HB3 ARG A 125 19.907 -4.807 -9.153 1.00 0.00 H new ATOM 0 HG2 ARG A 125 17.744 -3.586 -10.656 1.00 0.00 H new ATOM 0 HG3 ARG A 125 18.893 -4.247 -11.802 1.00 0.00 H new ATOM 0 HD2 ARG A 125 18.139 -6.348 -11.379 1.00 0.00 H new ATOM 0 HD3 ARG A 125 18.589 -6.188 -9.693 1.00 0.00 H new ATOM 0 HE ARG A 125 16.356 -5.447 -9.153 1.00 0.00 H new ATOM 0 HH11 ARG A 125 16.774 -6.259 -12.601 1.00 0.00 H new ATOM 0 HH12 ARG A 125 15.038 -6.423 -12.886 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.126 -5.685 -9.544 1.00 0.00 H new ATOM 0 HH22 ARG A 125 13.543 -6.099 -11.160 1.00 0.00 H new ATOM 630 N ILE A 126 20.764 -3.289 -7.082 1.00 0.00 N ATOM 631 CA ILE A 126 21.832 -3.095 -6.109 1.00 0.00 C ATOM 632 C ILE A 126 22.617 -4.396 -5.964 1.00 0.00 C ATOM 633 O ILE A 126 22.236 -5.421 -6.533 1.00 0.00 O ATOM 634 CB ILE A 126 21.242 -2.649 -4.758 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.276 -3.720 -4.229 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.503 -1.316 -4.935 1.00 0.00 C ATOM 637 CD1 ILE A 126 19.693 -3.288 -2.881 1.00 0.00 C ATOM 0 H ILE A 126 20.267 -4.174 -6.983 1.00 0.00 H new ATOM 0 HA ILE A 126 22.509 -2.312 -6.452 1.00 0.00 H new ATOM 0 HB ILE A 126 22.050 -2.518 -4.038 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.471 -3.881 -4.947 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.799 -4.670 -4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 126 20.086 -1.001 -3.978 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.200 -0.559 -5.294 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.698 -1.440 -5.659 1.00 0.00 H new ATOM 0 HD11 ILE A 126 19.010 -4.056 -2.517 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.501 -3.151 -2.162 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.152 -2.349 -3.002 1.00 0.00 H new ATOM 649 N GLY A 127 23.715 -4.350 -5.200 1.00 0.00 N ATOM 650 CA GLY A 127 24.570 -5.509 -4.988 1.00 0.00 C ATOM 651 C GLY A 127 23.763 -6.715 -4.504 1.00 0.00 C ATOM 652 O GLY A 127 24.025 -7.838 -4.921 1.00 0.00 O ATOM 0 H GLY A 127 24.029 -3.509 -4.716 1.00 0.00 H new ATOM 0 HA2 GLY A 127 25.082 -5.761 -5.917 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.340 -5.266 -4.255 1.00 0.00 H new ATOM 656 N LYS A 128 22.783 -6.481 -3.621 1.00 0.00 N ATOM 657 CA LYS A 128 21.955 -7.549 -3.076 1.00 0.00 C ATOM 658 C LYS A 128 21.213 -8.280 -4.202 1.00 0.00 C ATOM 659 O LYS A 128 21.313 -9.499 -4.319 1.00 0.00 O ATOM 660 CB LYS A 128 20.961 -6.950 -2.070 1.00 0.00 C ATOM 661 CG LYS A 128 20.262 -8.068 -1.280 1.00 0.00 C ATOM 662 CD LYS A 128 21.081 -8.430 -0.034 1.00 0.00 C ATOM 663 CE LYS A 128 20.777 -7.439 1.097 1.00 0.00 C ATOM 664 NZ LYS A 128 21.527 -7.782 2.319 1.00 0.00 N ATOM 0 H LYS A 128 22.548 -5.552 -3.271 1.00 0.00 H new ATOM 0 HA LYS A 128 22.588 -8.276 -2.567 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.484 -6.284 -1.384 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.219 -6.348 -2.596 1.00 0.00 H new ATOM 0 HG2 LYS A 128 19.263 -7.745 -0.986 1.00 0.00 H new ATOM 0 HG3 LYS A 128 20.140 -8.948 -1.912 1.00 0.00 H new ATOM 0 HD2 LYS A 128 20.843 -9.444 0.286 1.00 0.00 H new ATOM 0 HD3 LYS A 128 22.145 -8.411 -0.269 1.00 0.00 H new ATOM 0 HE2 LYS A 128 21.036 -6.429 0.779 1.00 0.00 H new ATOM 0 HE3 LYS A 128 19.708 -7.442 1.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 21.303 -7.096 3.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 21.261 -8.737 2.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 22.547 -7.755 2.119 1.00 0.00 H new ATOM 678 N GLN A 129 20.464 -7.532 -5.021 1.00 0.00 N ATOM 679 CA GLN A 129 19.680 -8.110 -6.106 1.00 0.00 C ATOM 680 C GLN A 129 20.596 -8.777 -7.134 1.00 0.00 C ATOM 681 O GLN A 129 20.323 -9.894 -7.573 1.00 0.00 O ATOM 682 CB GLN A 129 18.840 -7.013 -6.766 1.00 0.00 C ATOM 683 CG GLN A 129 17.779 -6.504 -5.785 1.00 0.00 C ATOM 684 CD GLN A 129 16.953 -5.391 -6.420 1.00 0.00 C ATOM 685 OE1 GLN A 129 16.240 -5.623 -7.391 1.00 0.00 O ATOM 686 NE2 GLN A 129 17.048 -4.183 -5.873 1.00 0.00 N ATOM 0 H GLN A 129 20.388 -6.518 -4.947 1.00 0.00 H new ATOM 0 HA GLN A 129 19.016 -8.874 -5.701 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.483 -6.190 -7.079 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.360 -7.402 -7.664 1.00 0.00 H new ATOM 0 HG2 GLN A 129 17.126 -7.325 -5.488 1.00 0.00 H new ATOM 0 HG3 GLN A 129 18.260 -6.136 -4.879 1.00 0.00 H new ATOM 0 HE21 GLN A 129 17.654 -4.035 -5.066 1.00 0.00 H new ATOM 0 HE22 GLN A 129 16.515 -3.404 -6.261 1.00 0.00 H new ATOM 695 N CYS A 130 21.679 -8.090 -7.518 1.00 0.00 N ATOM 696 CA CYS A 130 22.627 -8.626 -8.492 1.00 0.00 C ATOM 697 C CYS A 130 23.186 -9.956 -7.990 1.00 0.00 C ATOM 698 O CYS A 130 23.192 -10.945 -8.723 1.00 0.00 O ATOM 699 CB CYS A 130 23.758 -7.620 -8.726 1.00 0.00 C ATOM 700 SG CYS A 130 23.095 -6.164 -9.576 1.00 0.00 S ATOM 0 H CYS A 130 21.917 -7.162 -7.167 1.00 0.00 H new ATOM 0 HA CYS A 130 22.115 -8.798 -9.439 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.204 -7.329 -7.775 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.548 -8.076 -9.323 1.00 0.00 H new ATOM 0 HG CYS A 130 22.552 -5.364 -8.707 1.00 0.00 H new ATOM 706 N ARG A 131 23.651 -9.976 -6.734 1.00 0.00 N ATOM 707 CA ARG A 131 24.192 -11.180 -6.126 1.00 0.00 C ATOM 708 C ARG A 131 23.136 -12.279 -6.135 1.00 0.00 C ATOM 709 O ARG A 131 23.424 -13.403 -6.519 1.00 0.00 O ATOM 710 CB ARG A 131 24.634 -10.871 -4.689 1.00 0.00 C ATOM 711 CG ARG A 131 25.289 -12.110 -4.059 1.00 0.00 C ATOM 712 CD ARG A 131 25.063 -12.103 -2.549 1.00 0.00 C ATOM 713 NE ARG A 131 25.700 -13.270 -1.924 1.00 0.00 N ATOM 714 CZ ARG A 131 25.545 -13.585 -0.626 1.00 0.00 C ATOM 715 NH1 ARG A 131 24.810 -12.801 0.175 1.00 0.00 N ATOM 716 NH2 ARG A 131 26.126 -14.687 -0.133 1.00 0.00 N ATOM 0 H ARG A 131 23.659 -9.160 -6.122 1.00 0.00 H new ATOM 0 HA ARG A 131 25.056 -11.523 -6.695 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.337 -10.038 -4.688 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.774 -10.563 -4.094 1.00 0.00 H new ATOM 0 HG2 ARG A 131 24.868 -13.016 -4.495 1.00 0.00 H new ATOM 0 HG3 ARG A 131 26.357 -12.118 -4.276 1.00 0.00 H new ATOM 0 HD2 ARG A 131 25.469 -11.187 -2.120 1.00 0.00 H new ATOM 0 HD3 ARG A 131 23.994 -12.108 -2.336 1.00 0.00 H new ATOM 0 HE ARG A 131 26.288 -13.870 -2.502 1.00 0.00 H new ATOM 0 HH11 ARG A 131 24.366 -11.962 -0.200 1.00 0.00 H new ATOM 0 HH12 ARG A 131 24.694 -13.043 1.159 1.00 0.00 H new ATOM 0 HH21 ARG A 131 26.685 -15.285 -0.742 1.00 0.00 H new ATOM 0 HH22 ARG A 131 26.010 -14.928 0.851 1.00 0.00 H new ATOM 730 N GLU A 132 21.915 -11.948 -5.702 1.00 0.00 N ATOM 731 CA GLU A 132 20.827 -12.909 -5.632 1.00 0.00 C ATOM 732 C GLU A 132 20.631 -13.587 -6.987 1.00 0.00 C ATOM 733 O GLU A 132 20.818 -14.792 -7.101 1.00 0.00 O ATOM 734 CB GLU A 132 19.552 -12.183 -5.183 1.00 0.00 C ATOM 735 CG GLU A 132 18.409 -13.183 -4.991 1.00 0.00 C ATOM 736 CD GLU A 132 17.112 -12.454 -4.670 1.00 0.00 C ATOM 737 OE1 GLU A 132 16.704 -11.628 -5.517 1.00 0.00 O ATOM 738 OE2 GLU A 132 16.553 -12.732 -3.591 1.00 0.00 O ATOM 0 H GLU A 132 21.661 -11.010 -5.393 1.00 0.00 H new ATOM 0 HA GLU A 132 21.065 -13.688 -4.907 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.738 -11.650 -4.250 1.00 0.00 H new ATOM 0 HB3 GLU A 132 19.270 -11.437 -5.926 1.00 0.00 H new ATOM 0 HG2 GLU A 132 18.284 -13.779 -5.895 1.00 0.00 H new ATOM 0 HG3 GLU A 132 18.654 -13.874 -4.184 1.00 0.00 H new ATOM 745 N ARG A 133 20.254 -12.809 -8.008 1.00 0.00 N ATOM 746 CA ARG A 133 20.003 -13.336 -9.350 1.00 0.00 C ATOM 747 C ARG A 133 21.066 -14.366 -9.737 1.00 0.00 C ATOM 748 O ARG A 133 20.738 -15.425 -10.276 1.00 0.00 O ATOM 749 CB ARG A 133 19.995 -12.162 -10.343 1.00 0.00 C ATOM 750 CG ARG A 133 19.737 -12.650 -11.780 1.00 0.00 C ATOM 751 CD ARG A 133 18.304 -13.173 -11.914 1.00 0.00 C ATOM 752 NE ARG A 133 17.961 -13.413 -13.325 1.00 0.00 N ATOM 753 CZ ARG A 133 16.876 -14.110 -13.716 1.00 0.00 C ATOM 754 NH1 ARG A 133 16.126 -14.742 -12.816 1.00 0.00 N ATOM 755 NH2 ARG A 133 16.546 -14.170 -15.008 1.00 0.00 N ATOM 0 H ARG A 133 20.115 -11.802 -7.926 1.00 0.00 H new ATOM 0 HA ARG A 133 19.037 -13.841 -9.370 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.226 -11.445 -10.056 1.00 0.00 H new ATOM 0 HB3 ARG A 133 20.950 -11.639 -10.300 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.901 -11.834 -12.484 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.445 -13.438 -12.036 1.00 0.00 H new ATOM 0 HD2 ARG A 133 18.196 -14.098 -11.347 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.608 -12.452 -11.484 1.00 0.00 H new ATOM 0 HE ARG A 133 18.576 -13.032 -14.044 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.372 -14.700 -11.827 1.00 0.00 H new ATOM 0 HH12 ARG A 133 15.305 -15.269 -13.115 1.00 0.00 H new ATOM 0 HH21 ARG A 133 17.116 -13.687 -15.703 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.724 -14.699 -15.300 1.00 0.00 H new ATOM 769 N TRP A 134 22.336 -14.051 -9.470 1.00 0.00 N ATOM 770 CA TRP A 134 23.436 -14.919 -9.839 1.00 0.00 C ATOM 771 C TRP A 134 23.514 -16.154 -8.928 1.00 0.00 C ATOM 772 O TRP A 134 23.446 -17.284 -9.411 1.00 0.00 O ATOM 773 CB TRP A 134 24.739 -14.114 -9.801 1.00 0.00 C ATOM 774 CG TRP A 134 25.788 -14.634 -10.721 1.00 0.00 C ATOM 775 CD1 TRP A 134 26.914 -15.275 -10.361 1.00 0.00 C ATOM 776 CD2 TRP A 134 25.821 -14.579 -12.174 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.648 -15.630 -11.467 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.009 -15.229 -12.626 1.00 0.00 C ATOM 779 CE3 TRP A 134 24.965 -14.046 -13.166 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.318 -15.356 -13.981 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.275 -14.175 -14.526 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.436 -14.841 -14.935 1.00 0.00 C ATOM 0 H TRP A 134 22.620 -13.193 -8.996 1.00 0.00 H new ATOM 0 HA TRP A 134 23.271 -15.291 -10.850 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.523 -13.077 -10.059 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.128 -14.115 -8.783 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.202 -15.483 -9.341 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.541 -16.122 -11.437 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.061 -13.533 -12.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.229 -15.847 -14.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.611 -13.756 -15.267 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.650 -14.957 -15.987 1.00 0.00 H new ATOM 793 N HIS A 135 23.668 -15.942 -7.616 1.00 0.00 N ATOM 794 CA HIS A 135 23.827 -17.034 -6.654 1.00 0.00 C ATOM 795 C HIS A 135 22.486 -17.709 -6.319 1.00 0.00 C ATOM 796 O HIS A 135 22.294 -18.163 -5.193 1.00 0.00 O ATOM 797 CB HIS A 135 24.484 -16.481 -5.383 1.00 0.00 C ATOM 798 CG HIS A 135 25.916 -16.064 -5.601 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.987 -16.919 -5.369 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.488 -14.892 -6.026 1.00 0.00 C ATOM 801 CE1 HIS A 135 28.107 -16.227 -5.658 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.871 -14.980 -6.064 1.00 0.00 N ATOM 0 H HIS A 135 23.686 -15.013 -7.195 1.00 0.00 H new ATOM 0 HA HIS A 135 24.461 -17.800 -7.101 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.911 -15.625 -5.026 1.00 0.00 H new ATOM 0 HB3 HIS A 135 24.446 -17.239 -4.600 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.929 -14.009 -6.298 1.00 0.00 H new ATOM 0 HE1 HIS A 135 29.100 -16.643 -5.569 1.00 0.00 H new ATOM 0 HE2 HIS A 135 28.544 -14.264 -6.337 1.00 0.00 H new ATOM 810 N ASN A 136 21.570 -17.792 -7.293 1.00 0.00 N ATOM 811 CA ASN A 136 20.287 -18.467 -7.104 1.00 0.00 C ATOM 812 C ASN A 136 20.013 -19.347 -8.296 1.00 0.00 C ATOM 813 O ASN A 136 19.960 -20.569 -8.178 1.00 0.00 O ATOM 814 CB ASN A 136 19.148 -17.451 -6.963 1.00 0.00 C ATOM 815 CG ASN A 136 19.008 -16.987 -5.529 1.00 0.00 C ATOM 816 OD1 ASN A 136 18.024 -17.299 -4.865 1.00 0.00 O ATOM 817 ND2 ASN A 136 19.989 -16.245 -5.055 1.00 0.00 N ATOM 0 H ASN A 136 21.699 -17.396 -8.224 1.00 0.00 H new ATOM 0 HA ASN A 136 20.339 -19.062 -6.192 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.339 -16.594 -7.609 1.00 0.00 H new ATOM 0 HB3 ASN A 136 18.212 -17.900 -7.297 1.00 0.00 H new ATOM 0 HD21 ASN A 136 19.951 -15.902 -4.095 1.00 0.00 H new ATOM 0 HD22 ASN A 136 20.786 -16.013 -5.648 1.00 0.00 H new ATOM 824 N HIS A 137 19.819 -18.708 -9.445 1.00 0.00 N ATOM 825 CA HIS A 137 19.474 -19.420 -10.670 1.00 0.00 C ATOM 826 C HIS A 137 20.177 -18.823 -11.898 1.00 0.00 C ATOM 827 O HIS A 137 19.540 -18.600 -12.924 1.00 0.00 O ATOM 828 CB HIS A 137 17.945 -19.395 -10.830 1.00 0.00 C ATOM 829 CG HIS A 137 17.335 -18.063 -10.471 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.272 -17.942 -9.583 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.619 -16.779 -10.857 1.00 0.00 C ATOM 832 CE1 HIS A 137 15.987 -16.628 -9.492 1.00 0.00 C ATOM 833 NE2 HIS A 137 16.773 -15.860 -10.247 1.00 0.00 N ATOM 0 H HIS A 137 19.895 -17.697 -9.553 1.00 0.00 H new ATOM 0 HA HIS A 137 19.820 -20.451 -10.597 1.00 0.00 H new ATOM 0 HB2 HIS A 137 17.689 -19.639 -11.861 1.00 0.00 H new ATOM 0 HB3 HIS A 137 17.507 -20.170 -10.201 1.00 0.00 H new ATOM 0 HD1 HIS A 137 15.799 -18.702 -9.094 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.404 -16.514 -11.550 1.00 0.00 H new ATOM 0 HE1 HIS A 137 15.198 -16.235 -8.868 1.00 0.00 H new ATOM 841 N LEU A 138 21.494 -18.587 -11.805 1.00 0.00 N ATOM 842 CA LEU A 138 22.272 -18.104 -12.945 1.00 0.00 C ATOM 843 C LEU A 138 23.762 -18.135 -12.601 1.00 0.00 C ATOM 844 O LEU A 138 24.307 -17.164 -12.087 1.00 0.00 O ATOM 845 CB LEU A 138 21.823 -16.677 -13.350 1.00 0.00 C ATOM 846 CG LEU A 138 21.584 -16.596 -14.875 1.00 0.00 C ATOM 847 CD1 LEU A 138 20.128 -16.216 -15.151 1.00 0.00 C ATOM 848 CD2 LEU A 138 22.502 -15.541 -15.483 1.00 0.00 C ATOM 0 H LEU A 138 22.037 -18.724 -10.953 1.00 0.00 H new ATOM 0 HA LEU A 138 22.097 -18.759 -13.799 1.00 0.00 H new ATOM 0 HB2 LEU A 138 20.909 -16.413 -12.818 1.00 0.00 H new ATOM 0 HB3 LEU A 138 22.583 -15.953 -13.056 1.00 0.00 H new ATOM 0 HG LEU A 138 21.797 -17.567 -15.321 1.00 0.00 H new ATOM 0 HD11 LEU A 138 19.964 -16.160 -16.227 1.00 0.00 H new ATOM 0 HD12 LEU A 138 19.468 -16.970 -14.722 1.00 0.00 H new ATOM 0 HD13 LEU A 138 19.913 -15.247 -14.701 1.00 0.00 H new ATOM 0 HD21 LEU A 138 22.331 -15.486 -16.558 1.00 0.00 H new ATOM 0 HD22 LEU A 138 22.291 -14.571 -15.032 1.00 0.00 H new ATOM 0 HD23 LEU A 138 23.541 -15.810 -15.294 1.00 0.00 H new ATOM 860 N ASN A 139 24.424 -19.261 -12.889 1.00 0.00 N ATOM 861 CA ASN A 139 25.847 -19.401 -12.622 1.00 0.00 C ATOM 862 C ASN A 139 26.504 -20.272 -13.698 1.00 0.00 C ATOM 863 O ASN A 139 26.920 -21.395 -13.417 1.00 0.00 O ATOM 864 CB ASN A 139 26.051 -20.002 -11.227 1.00 0.00 C ATOM 865 CG ASN A 139 27.527 -19.973 -10.841 1.00 0.00 C ATOM 866 OD1 ASN A 139 28.167 -21.016 -10.740 1.00 0.00 O ATOM 867 ND2 ASN A 139 28.065 -18.773 -10.628 1.00 0.00 N ATOM 0 H ASN A 139 23.991 -20.085 -13.307 1.00 0.00 H new ATOM 0 HA ASN A 139 26.320 -18.419 -12.650 1.00 0.00 H new ATOM 0 HB2 ASN A 139 25.467 -19.443 -10.495 1.00 0.00 H new ATOM 0 HB3 ASN A 139 25.685 -21.029 -11.210 1.00 0.00 H new ATOM 0 HD21 ASN A 139 29.048 -18.694 -10.369 1.00 0.00 H new ATOM 0 HD22 ASN A 139 27.494 -17.934 -10.724 1.00 0.00 H new ATOM 874 N PRO A 140 26.613 -19.751 -14.938 1.00 0.00 N ATOM 875 CA PRO A 140 27.253 -20.459 -16.031 1.00 0.00 C ATOM 876 C PRO A 140 28.725 -20.710 -15.704 1.00 0.00 C ATOM 877 O PRO A 140 29.327 -21.638 -16.238 1.00 0.00 O ATOM 878 CB PRO A 140 27.105 -19.552 -17.253 1.00 0.00 C ATOM 879 CG PRO A 140 26.615 -18.200 -16.730 1.00 0.00 C ATOM 880 CD PRO A 140 26.122 -18.441 -15.305 1.00 0.00 C ATOM 0 HA PRO A 140 26.801 -21.435 -16.210 1.00 0.00 H new ATOM 0 HB2 PRO A 140 28.056 -19.445 -17.775 1.00 0.00 H new ATOM 0 HB3 PRO A 140 26.396 -19.973 -17.966 1.00 0.00 H new ATOM 0 HG2 PRO A 140 27.419 -17.464 -16.743 1.00 0.00 H new ATOM 0 HG3 PRO A 140 25.814 -17.808 -17.357 1.00 0.00 H new ATOM 0 HD2 PRO A 140 26.499 -17.677 -14.626 1.00 0.00 H new ATOM 0 HD3 PRO A 140 25.034 -18.403 -15.255 1.00 0.00 H new ATOM 888 N GLU A 141 29.295 -19.875 -14.816 1.00 0.00 N ATOM 889 CA GLU A 141 30.678 -20.012 -14.386 1.00 0.00 C ATOM 890 C GLU A 141 30.922 -21.438 -13.895 1.00 0.00 C ATOM 891 O GLU A 141 31.976 -22.011 -14.136 1.00 0.00 O ATOM 892 CB GLU A 141 30.964 -19.013 -13.259 1.00 0.00 C ATOM 893 CG GLU A 141 30.753 -17.573 -13.743 1.00 0.00 C ATOM 894 CD GLU A 141 31.001 -16.592 -12.606 1.00 0.00 C ATOM 895 OE1 GLU A 141 30.201 -16.625 -11.644 1.00 0.00 O ATOM 896 OE2 GLU A 141 31.983 -15.830 -12.717 1.00 0.00 O ATOM 0 H GLU A 141 28.803 -19.093 -14.384 1.00 0.00 H new ATOM 0 HA GLU A 141 31.344 -19.805 -15.224 1.00 0.00 H new ATOM 0 HB2 GLU A 141 30.309 -19.216 -12.411 1.00 0.00 H new ATOM 0 HB3 GLU A 141 31.988 -19.137 -12.908 1.00 0.00 H new ATOM 0 HG2 GLU A 141 31.428 -17.358 -14.572 1.00 0.00 H new ATOM 0 HG3 GLU A 141 29.737 -17.454 -14.120 1.00 0.00 H new HETATM 903 N NH2 A 142 29.941 -22.009 -13.201 1.00 0.00 N TER 906 NH2 A 142