USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=8 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= 0.408 K(o=0.41,f=-0.18) USER MOD Single : A 108 GLN : amide:sc= -0.811 X(o=-0.81,f=-0.68) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 1.32 (180deg=1.32) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ -161:sc= -0.0133 (180deg=-0.21) 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 121 HIS : no HD1:sc= -0.26 X(o=-0.26,f=-0.75) USER MOD Single : A 123 LYS NZ :NH3+ -161:sc= -0.0108 (180deg=-0.18) USER MOD Single : A 128 LYS NZ :NH3+ -148:sc= 1.13 (180deg=0.623) USER MOD Single : A 129 GLN : amide:sc= -0.529 K(o=-0.53,f=-3.6!) USER MOD Single : A 130 CYS SG : rot 84:sc= 0.0523 USER MOD Single : A 135 HIS : no HD1:sc= -0.191 X(o=-0.19,f=-0.0025) USER MOD Single : A 136 ASN : amide:sc= 0.0448 X(o=0.045,f=-0.2) USER MOD Single : A 137 HIS : no HE2:sc= 0.171 K(o=0.17,f=-6!) USER MOD Single : A 139 ASN : amide:sc= -0.0916 K(o=-0.092,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 90 7.835 1.678 -6.072 1.00 0.00 N ATOM 2 CA LEU A 90 7.776 0.973 -7.364 1.00 0.00 C ATOM 3 C LEU A 90 8.624 -0.294 -7.301 1.00 0.00 C ATOM 4 O LEU A 90 9.768 -0.249 -6.856 1.00 0.00 O ATOM 5 CB LEU A 90 8.260 1.896 -8.492 1.00 0.00 C ATOM 6 CG LEU A 90 8.137 1.188 -9.853 1.00 0.00 C ATOM 7 CD1 LEU A 90 7.543 2.154 -10.880 1.00 0.00 C ATOM 8 CD2 LEU A 90 9.521 0.733 -10.329 1.00 0.00 C ATOM 0 HA LEU A 90 6.744 0.691 -7.572 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.672 2.814 -8.498 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.297 2.183 -8.316 1.00 0.00 H new ATOM 0 HG LEU A 90 7.487 0.320 -9.746 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.456 1.652 -11.844 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.556 2.476 -10.548 1.00 0.00 H new ATOM 0 HD13 LEU A 90 8.193 3.023 -10.981 1.00 0.00 H new ATOM 0 HD21 LEU A 90 9.428 0.232 -11.293 1.00 0.00 H new ATOM 0 HD22 LEU A 90 10.174 1.600 -10.432 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.947 0.042 -9.601 1.00 0.00 H new ATOM 22 N ILE A 91 8.059 -1.422 -7.746 1.00 0.00 N ATOM 23 CA ILE A 91 8.764 -2.693 -7.743 1.00 0.00 C ATOM 24 C ILE A 91 9.620 -2.800 -9.001 1.00 0.00 C ATOM 25 O ILE A 91 9.150 -2.506 -10.100 1.00 0.00 O ATOM 26 CB ILE A 91 7.751 -3.848 -7.684 1.00 0.00 C ATOM 27 CG1 ILE A 91 6.847 -3.723 -6.438 1.00 0.00 C ATOM 28 CG2 ILE A 91 8.499 -5.186 -7.661 1.00 0.00 C ATOM 29 CD1 ILE A 91 7.679 -3.645 -5.151 1.00 0.00 C ATOM 0 H ILE A 91 7.109 -1.472 -8.114 1.00 0.00 H new ATOM 0 HA ILE A 91 9.411 -2.752 -6.868 1.00 0.00 H new ATOM 0 HB ILE A 91 7.117 -3.802 -8.569 1.00 0.00 H new ATOM 0 HG12 ILE A 91 6.224 -2.833 -6.526 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.174 -4.579 -6.387 1.00 0.00 H new ATOM 0 HG21 ILE A 91 7.780 -6.004 -7.619 1.00 0.00 H new ATOM 0 HG22 ILE A 91 9.104 -5.280 -8.563 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.146 -5.226 -6.785 1.00 0.00 H new ATOM 0 HD11 ILE A 91 7.013 -3.558 -4.292 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.282 -4.548 -5.052 1.00 0.00 H new ATOM 0 HD13 ILE A 91 8.333 -2.774 -5.193 1.00 0.00 H new ATOM 41 N LYS A 92 10.877 -3.224 -8.836 1.00 0.00 N ATOM 42 CA LYS A 92 11.793 -3.385 -9.953 1.00 0.00 C ATOM 43 C LYS A 92 11.278 -4.467 -10.906 1.00 0.00 C ATOM 44 O LYS A 92 10.556 -5.374 -10.494 1.00 0.00 O ATOM 45 CB LYS A 92 13.204 -3.721 -9.423 1.00 0.00 C ATOM 46 CG LYS A 92 13.334 -5.208 -9.023 1.00 0.00 C ATOM 47 CD LYS A 92 12.444 -5.532 -7.817 1.00 0.00 C ATOM 48 CE LYS A 92 12.791 -6.924 -7.282 1.00 0.00 C ATOM 49 NZ LYS A 92 11.866 -7.325 -6.206 1.00 0.00 N ATOM 0 H LYS A 92 11.279 -3.462 -7.929 1.00 0.00 H new ATOM 0 HA LYS A 92 11.854 -2.452 -10.514 1.00 0.00 H new ATOM 0 HB2 LYS A 92 13.944 -3.485 -10.188 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.426 -3.093 -8.560 1.00 0.00 H new ATOM 0 HG2 LYS A 92 13.055 -5.841 -9.866 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.373 -5.435 -8.784 1.00 0.00 H new ATOM 0 HD2 LYS A 92 12.587 -4.785 -7.036 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.394 -5.494 -8.107 1.00 0.00 H new ATOM 0 HE2 LYS A 92 12.746 -7.650 -8.093 1.00 0.00 H new ATOM 0 HE3 LYS A 92 13.814 -6.928 -6.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.124 -8.272 -5.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.928 -6.643 -5.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.893 -7.343 -6.573 1.00 0.00 H new ATOM 63 N GLY A 93 11.657 -4.370 -12.184 1.00 0.00 N ATOM 64 CA GLY A 93 11.250 -5.344 -13.187 1.00 0.00 C ATOM 65 C GLY A 93 11.737 -6.741 -12.782 1.00 0.00 C ATOM 66 O GLY A 93 12.739 -6.854 -12.075 1.00 0.00 O ATOM 0 H GLY A 93 12.248 -3.621 -12.544 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.165 -5.343 -13.289 1.00 0.00 H new ATOM 0 HA3 GLY A 93 11.662 -5.073 -14.159 1.00 0.00 H new ATOM 70 N PRO A 94 11.034 -7.810 -13.217 1.00 0.00 N ATOM 71 CA PRO A 94 11.389 -9.180 -12.880 1.00 0.00 C ATOM 72 C PRO A 94 12.601 -9.661 -13.689 1.00 0.00 C ATOM 73 O PRO A 94 12.522 -10.657 -14.401 1.00 0.00 O ATOM 74 CB PRO A 94 10.138 -9.991 -13.195 1.00 0.00 C ATOM 75 CG PRO A 94 9.314 -9.143 -14.168 1.00 0.00 C ATOM 76 CD PRO A 94 9.844 -7.713 -14.041 1.00 0.00 C ATOM 0 HA PRO A 94 11.686 -9.284 -11.837 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.398 -10.951 -13.640 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.572 -10.203 -12.288 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.420 -9.508 -15.189 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.253 -9.188 -13.922 1.00 0.00 H new ATOM 0 HD2 PRO A 94 10.078 -7.293 -15.019 1.00 0.00 H new ATOM 0 HD3 PRO A 94 9.102 -7.059 -13.583 1.00 0.00 H new ATOM 84 N TRP A 95 13.716 -8.942 -13.552 1.00 0.00 N ATOM 85 CA TRP A 95 14.981 -9.263 -14.217 1.00 0.00 C ATOM 86 C TRP A 95 14.777 -9.582 -15.705 1.00 0.00 C ATOM 87 O TRP A 95 14.539 -10.731 -16.076 1.00 0.00 O ATOM 88 CB TRP A 95 15.652 -10.424 -13.482 1.00 0.00 C ATOM 89 CG TRP A 95 16.452 -9.997 -12.296 1.00 0.00 C ATOM 90 CD1 TRP A 95 16.079 -10.086 -11.008 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.767 -9.380 -12.276 1.00 0.00 C ATOM 92 NE1 TRP A 95 17.051 -9.572 -10.180 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.128 -9.110 -10.920 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.692 -9.010 -13.272 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.341 -8.502 -10.576 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.909 -8.389 -12.936 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.235 -8.135 -11.591 1.00 0.00 C ATOM 0 H TRP A 95 13.767 -8.108 -12.967 1.00 0.00 H new ATOM 0 HA TRP A 95 15.632 -8.390 -14.177 1.00 0.00 H new ATOM 0 HB2 TRP A 95 14.887 -11.130 -13.159 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.303 -10.956 -14.177 1.00 0.00 H new ATOM 0 HD1 TRP A 95 15.143 -10.504 -10.668 1.00 0.00 H new ATOM 0 HE1 TRP A 95 16.987 -9.536 -9.163 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.464 -9.206 -14.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.585 -8.318 -9.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.599 -8.105 -13.717 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.172 -7.659 -11.341 1.00 0.00 H new ATOM 108 N THR A 96 14.882 -8.553 -16.558 1.00 0.00 N ATOM 109 CA THR A 96 14.702 -8.725 -17.997 1.00 0.00 C ATOM 110 C THR A 96 15.882 -9.510 -18.578 1.00 0.00 C ATOM 111 O THR A 96 16.932 -9.619 -17.947 1.00 0.00 O ATOM 112 CB THR A 96 14.560 -7.355 -18.692 1.00 0.00 C ATOM 113 OG1 THR A 96 15.836 -6.826 -18.988 1.00 0.00 O ATOM 114 CG2 THR A 96 13.801 -6.374 -17.792 1.00 0.00 C ATOM 0 H THR A 96 15.090 -7.596 -16.272 1.00 0.00 H new ATOM 0 HA THR A 96 13.786 -9.289 -18.175 1.00 0.00 H new ATOM 0 HB THR A 96 14.001 -7.496 -19.617 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.735 -5.957 -19.430 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.710 -5.413 -18.297 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.807 -6.769 -17.580 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.346 -6.242 -16.857 1.00 0.00 H new ATOM 122 N LYS A 97 15.702 -10.055 -19.789 1.00 0.00 N ATOM 123 CA LYS A 97 16.739 -10.834 -20.454 1.00 0.00 C ATOM 124 C LYS A 97 18.005 -9.992 -20.635 1.00 0.00 C ATOM 125 O LYS A 97 19.110 -10.495 -20.460 1.00 0.00 O ATOM 126 CB LYS A 97 16.209 -11.323 -21.807 1.00 0.00 C ATOM 127 CG LYS A 97 17.212 -12.300 -22.437 1.00 0.00 C ATOM 128 CD LYS A 97 16.694 -12.785 -23.797 1.00 0.00 C ATOM 129 CE LYS A 97 15.566 -13.805 -23.601 1.00 0.00 C ATOM 130 NZ LYS A 97 15.145 -14.382 -24.891 1.00 0.00 N ATOM 0 H LYS A 97 14.839 -9.966 -20.326 1.00 0.00 H new ATOM 0 HA LYS A 97 16.999 -11.697 -19.840 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.244 -11.813 -21.674 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.047 -10.475 -22.472 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.178 -11.811 -22.561 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.368 -13.151 -21.774 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.331 -11.938 -24.379 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.508 -13.236 -24.364 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.902 -14.600 -22.935 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.715 -13.323 -23.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.381 -15.069 -24.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 14.804 -13.624 -25.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.953 -14.861 -25.337 1.00 0.00 H new ATOM 144 N GLU A 98 17.840 -8.712 -20.989 1.00 0.00 N ATOM 145 CA GLU A 98 18.972 -7.817 -21.190 1.00 0.00 C ATOM 146 C GLU A 98 19.630 -7.521 -19.845 1.00 0.00 C ATOM 147 O GLU A 98 20.853 -7.503 -19.742 1.00 0.00 O ATOM 148 CB GLU A 98 18.496 -6.527 -21.871 1.00 0.00 C ATOM 149 CG GLU A 98 19.663 -5.534 -22.013 1.00 0.00 C ATOM 150 CD GLU A 98 20.862 -6.170 -22.716 1.00 0.00 C ATOM 151 OE1 GLU A 98 20.637 -6.783 -23.781 1.00 0.00 O ATOM 152 OE2 GLU A 98 21.982 -6.029 -22.174 1.00 0.00 O ATOM 0 H GLU A 98 16.930 -8.278 -21.141 1.00 0.00 H new ATOM 0 HA GLU A 98 19.710 -8.290 -21.837 1.00 0.00 H new ATOM 0 HB2 GLU A 98 18.084 -6.757 -22.854 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.694 -6.075 -21.288 1.00 0.00 H new ATOM 0 HG2 GLU A 98 19.332 -4.661 -22.576 1.00 0.00 H new ATOM 0 HG3 GLU A 98 19.964 -5.182 -21.026 1.00 0.00 H new ATOM 159 N GLU A 99 18.814 -7.297 -18.811 1.00 0.00 N ATOM 160 CA GLU A 99 19.322 -7.033 -17.475 1.00 0.00 C ATOM 161 C GLU A 99 20.207 -8.207 -17.049 1.00 0.00 C ATOM 162 O GLU A 99 21.304 -8.009 -16.528 1.00 0.00 O ATOM 163 CB GLU A 99 18.140 -6.856 -16.514 1.00 0.00 C ATOM 164 CG GLU A 99 18.165 -5.453 -15.902 1.00 0.00 C ATOM 165 CD GLU A 99 16.860 -5.155 -15.174 1.00 0.00 C ATOM 166 OE1 GLU A 99 16.087 -6.121 -14.965 1.00 0.00 O ATOM 167 OE2 GLU A 99 16.657 -3.973 -14.832 1.00 0.00 O ATOM 0 H GLU A 99 17.796 -7.295 -18.881 1.00 0.00 H new ATOM 0 HA GLU A 99 19.916 -6.119 -17.459 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.202 -7.012 -17.046 1.00 0.00 H new ATOM 0 HB3 GLU A 99 18.187 -7.606 -15.725 1.00 0.00 H new ATOM 0 HG2 GLU A 99 19.001 -5.370 -15.208 1.00 0.00 H new ATOM 0 HG3 GLU A 99 18.326 -4.713 -16.686 1.00 0.00 H new ATOM 174 N ASP A 100 19.722 -9.430 -17.291 1.00 0.00 N ATOM 175 CA ASP A 100 20.461 -10.641 -16.977 1.00 0.00 C ATOM 176 C ASP A 100 21.727 -10.711 -17.828 1.00 0.00 C ATOM 177 O ASP A 100 22.806 -11.000 -17.311 1.00 0.00 O ATOM 178 CB ASP A 100 19.566 -11.857 -17.236 1.00 0.00 C ATOM 179 CG ASP A 100 18.783 -12.216 -15.995 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.430 -12.626 -15.016 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.547 -12.073 -16.044 1.00 0.00 O ATOM 0 H ASP A 100 18.807 -9.600 -17.709 1.00 0.00 H new ATOM 0 HA ASP A 100 20.755 -10.634 -15.927 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.880 -11.642 -18.056 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.177 -12.705 -17.545 1.00 0.00 H new ATOM 186 N GLN A 101 21.595 -10.440 -19.133 1.00 0.00 N ATOM 187 CA GLN A 101 22.731 -10.446 -20.044 1.00 0.00 C ATOM 188 C GLN A 101 23.807 -9.496 -19.519 1.00 0.00 C ATOM 189 O GLN A 101 24.998 -9.774 -19.651 1.00 0.00 O ATOM 190 CB GLN A 101 22.261 -10.031 -21.448 1.00 0.00 C ATOM 191 CG GLN A 101 23.436 -10.018 -22.436 1.00 0.00 C ATOM 192 CD GLN A 101 24.073 -11.399 -22.565 1.00 0.00 C ATOM 193 OE1 GLN A 101 23.624 -12.219 -23.360 1.00 0.00 O ATOM 194 NE2 GLN A 101 25.122 -11.654 -21.783 1.00 0.00 N ATOM 0 H GLN A 101 20.705 -10.214 -19.577 1.00 0.00 H new ATOM 0 HA GLN A 101 23.158 -11.447 -20.107 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.494 -10.721 -21.798 1.00 0.00 H new ATOM 0 HB3 GLN A 101 21.805 -9.042 -21.406 1.00 0.00 H new ATOM 0 HG2 GLN A 101 23.087 -9.684 -23.413 1.00 0.00 H new ATOM 0 HG3 GLN A 101 24.185 -9.300 -22.103 1.00 0.00 H new ATOM 0 HE21 GLN A 101 25.461 -10.942 -21.136 1.00 0.00 H new ATOM 0 HE22 GLN A 101 25.585 -12.561 -21.831 1.00 0.00 H new ATOM 203 N ARG A 102 23.383 -8.379 -18.918 1.00 0.00 N ATOM 204 CA ARG A 102 24.303 -7.410 -18.359 1.00 0.00 C ATOM 205 C ARG A 102 25.134 -8.066 -17.259 1.00 0.00 C ATOM 206 O ARG A 102 26.354 -7.957 -17.264 1.00 0.00 O ATOM 207 CB ARG A 102 23.518 -6.210 -17.808 1.00 0.00 C ATOM 208 CG ARG A 102 24.349 -4.926 -17.948 1.00 0.00 C ATOM 209 CD ARG A 102 23.852 -4.105 -19.148 1.00 0.00 C ATOM 210 NE ARG A 102 23.777 -4.922 -20.373 1.00 0.00 N ATOM 211 CZ ARG A 102 24.857 -5.337 -21.057 1.00 0.00 C ATOM 212 NH1 ARG A 102 26.085 -4.965 -20.681 1.00 0.00 N ATOM 213 NH2 ARG A 102 24.701 -6.130 -22.119 1.00 0.00 N ATOM 0 H ARG A 102 22.399 -8.132 -18.811 1.00 0.00 H new ATOM 0 HA ARG A 102 24.978 -7.054 -19.137 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.576 -6.103 -18.346 1.00 0.00 H new ATOM 0 HB3 ARG A 102 23.269 -6.379 -16.760 1.00 0.00 H new ATOM 0 HG2 ARG A 102 24.274 -4.334 -17.036 1.00 0.00 H new ATOM 0 HG3 ARG A 102 25.401 -5.177 -18.080 1.00 0.00 H new ATOM 0 HD2 ARG A 102 22.868 -3.693 -18.925 1.00 0.00 H new ATOM 0 HD3 ARG A 102 24.521 -3.261 -19.314 1.00 0.00 H new ATOM 0 HE ARG A 102 22.855 -5.187 -20.720 1.00 0.00 H new ATOM 0 HH11 ARG A 102 26.209 -4.361 -19.868 1.00 0.00 H new ATOM 0 HH12 ARG A 102 26.898 -5.285 -21.207 1.00 0.00 H new ATOM 0 HH21 ARG A 102 23.766 -6.418 -22.408 1.00 0.00 H new ATOM 0 HH22 ARG A 102 25.517 -6.448 -22.642 1.00 0.00 H new ATOM 227 N VAL A 103 24.473 -8.752 -16.316 1.00 0.00 N ATOM 228 CA VAL A 103 25.172 -9.419 -15.224 1.00 0.00 C ATOM 229 C VAL A 103 26.144 -10.449 -15.794 1.00 0.00 C ATOM 230 O VAL A 103 27.307 -10.474 -15.412 1.00 0.00 O ATOM 231 CB VAL A 103 24.165 -10.086 -14.275 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.916 -10.794 -13.143 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.241 -9.029 -13.670 1.00 0.00 C ATOM 0 H VAL A 103 23.459 -8.856 -16.293 1.00 0.00 H new ATOM 0 HA VAL A 103 25.736 -8.682 -14.653 1.00 0.00 H new ATOM 0 HB VAL A 103 23.575 -10.809 -14.838 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.200 -11.266 -12.471 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.575 -11.554 -13.563 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.508 -10.066 -12.588 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.530 -9.509 -12.998 1.00 0.00 H new ATOM 0 HG22 VAL A 103 23.834 -8.304 -13.113 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.700 -8.519 -14.467 1.00 0.00 H new ATOM 243 N ILE A 104 25.664 -11.298 -16.713 1.00 0.00 N ATOM 244 CA ILE A 104 26.498 -12.324 -17.330 1.00 0.00 C ATOM 245 C ILE A 104 27.751 -11.683 -17.932 1.00 0.00 C ATOM 246 O ILE A 104 28.867 -12.139 -17.681 1.00 0.00 O ATOM 247 CB ILE A 104 25.683 -13.065 -18.407 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.594 -13.920 -17.737 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.612 -13.967 -19.236 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.593 -14.425 -18.780 1.00 0.00 C ATOM 0 H ILE A 104 24.699 -11.290 -17.043 1.00 0.00 H new ATOM 0 HA ILE A 104 26.815 -13.045 -16.577 1.00 0.00 H new ATOM 0 HB ILE A 104 25.213 -12.334 -19.065 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.052 -14.766 -17.224 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.075 -13.331 -16.981 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.030 -14.488 -19.996 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.376 -13.357 -19.719 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.090 -14.696 -18.582 1.00 0.00 H new ATOM 0 HD11 ILE A 104 22.829 -15.028 -18.289 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.122 -13.575 -19.274 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.114 -15.032 -19.521 1.00 0.00 H new ATOM 262 N GLU A 105 27.560 -10.626 -18.727 1.00 0.00 N ATOM 263 CA GLU A 105 28.658 -9.933 -19.381 1.00 0.00 C ATOM 264 C GLU A 105 29.642 -9.386 -18.345 1.00 0.00 C ATOM 265 O GLU A 105 30.841 -9.614 -18.452 1.00 0.00 O ATOM 266 CB GLU A 105 28.091 -8.791 -20.237 1.00 0.00 C ATOM 267 CG GLU A 105 29.202 -8.170 -21.096 1.00 0.00 C ATOM 268 CD GLU A 105 28.812 -6.772 -21.563 1.00 0.00 C ATOM 269 OE1 GLU A 105 27.678 -6.636 -22.076 1.00 0.00 O ATOM 270 OE2 GLU A 105 29.654 -5.861 -21.394 1.00 0.00 O ATOM 0 H GLU A 105 26.641 -10.233 -18.931 1.00 0.00 H new ATOM 0 HA GLU A 105 29.197 -10.633 -20.019 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.294 -9.168 -20.878 1.00 0.00 H new ATOM 0 HB3 GLU A 105 27.650 -8.029 -19.594 1.00 0.00 H new ATOM 0 HG2 GLU A 105 30.127 -8.121 -20.521 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.397 -8.805 -21.960 1.00 0.00 H new ATOM 277 N LEU A 106 29.132 -8.648 -17.355 1.00 0.00 N ATOM 278 CA LEU A 106 29.968 -8.001 -16.358 1.00 0.00 C ATOM 279 C LEU A 106 30.717 -9.027 -15.504 1.00 0.00 C ATOM 280 O LEU A 106 31.860 -8.784 -15.126 1.00 0.00 O ATOM 281 CB LEU A 106 29.094 -7.097 -15.487 1.00 0.00 C ATOM 282 CG LEU A 106 28.522 -5.938 -16.325 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.424 -5.230 -15.528 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.631 -4.939 -16.666 1.00 0.00 C ATOM 0 H LEU A 106 28.133 -8.487 -17.228 1.00 0.00 H new ATOM 0 HA LEU A 106 30.722 -7.399 -16.864 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.280 -7.677 -15.052 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.681 -6.701 -14.659 1.00 0.00 H new ATOM 0 HG LEU A 106 28.106 -6.337 -17.250 1.00 0.00 H new ATOM 0 HD11 LEU A 106 27.017 -4.409 -16.119 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.629 -5.938 -15.295 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.843 -4.837 -14.601 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.216 -4.123 -17.259 1.00 0.00 H new ATOM 0 HD22 LEU A 106 30.056 -4.539 -15.745 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.411 -5.442 -17.237 1.00 0.00 H new ATOM 296 N VAL A 107 30.090 -10.169 -15.197 1.00 0.00 N ATOM 297 CA VAL A 107 30.740 -11.198 -14.397 1.00 0.00 C ATOM 298 C VAL A 107 31.855 -11.840 -15.221 1.00 0.00 C ATOM 299 O VAL A 107 32.962 -12.016 -14.731 1.00 0.00 O ATOM 300 CB VAL A 107 29.706 -12.243 -13.944 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.424 -13.473 -13.376 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.810 -11.642 -12.856 1.00 0.00 C ATOM 0 H VAL A 107 29.140 -10.397 -15.491 1.00 0.00 H new ATOM 0 HA VAL A 107 31.178 -10.755 -13.502 1.00 0.00 H new ATOM 0 HB VAL A 107 29.100 -12.537 -14.801 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.687 -14.210 -13.057 1.00 0.00 H new ATOM 0 HG12 VAL A 107 31.063 -13.908 -14.144 1.00 0.00 H new ATOM 0 HG13 VAL A 107 31.034 -13.177 -12.522 1.00 0.00 H new ATOM 0 HG21 VAL A 107 28.078 -12.384 -12.536 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.422 -11.345 -12.004 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.292 -10.769 -13.253 1.00 0.00 H new ATOM 312 N GLN A 108 31.561 -12.183 -16.476 1.00 0.00 N ATOM 313 CA GLN A 108 32.547 -12.782 -17.362 1.00 0.00 C ATOM 314 C GLN A 108 33.708 -11.803 -17.587 1.00 0.00 C ATOM 315 O GLN A 108 34.865 -12.212 -17.653 1.00 0.00 O ATOM 316 CB GLN A 108 31.856 -13.146 -18.684 1.00 0.00 C ATOM 317 CG GLN A 108 32.873 -13.696 -19.695 1.00 0.00 C ATOM 318 CD GLN A 108 33.432 -12.587 -20.587 1.00 0.00 C ATOM 319 OE1 GLN A 108 34.638 -12.370 -20.631 1.00 0.00 O ATOM 320 NE2 GLN A 108 32.548 -11.886 -21.300 1.00 0.00 N ATOM 0 H GLN A 108 30.642 -12.053 -16.899 1.00 0.00 H new ATOM 0 HA GLN A 108 32.961 -13.687 -16.918 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.079 -13.889 -18.502 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.364 -12.265 -19.098 1.00 0.00 H new ATOM 0 HG2 GLN A 108 33.690 -14.183 -19.163 1.00 0.00 H new ATOM 0 HG3 GLN A 108 32.398 -14.457 -20.314 1.00 0.00 H new ATOM 0 HE21 GLN A 108 31.553 -12.101 -21.233 1.00 0.00 H new ATOM 0 HE22 GLN A 108 32.867 -11.135 -21.912 1.00 0.00 H new ATOM 329 N LYS A 109 33.384 -10.512 -17.707 1.00 0.00 N ATOM 330 CA LYS A 109 34.368 -9.470 -17.954 1.00 0.00 C ATOM 331 C LYS A 109 35.261 -9.256 -16.726 1.00 0.00 C ATOM 332 O LYS A 109 36.481 -9.366 -16.825 1.00 0.00 O ATOM 333 CB LYS A 109 33.614 -8.187 -18.323 1.00 0.00 C ATOM 334 CG LYS A 109 34.577 -7.128 -18.868 1.00 0.00 C ATOM 335 CD LYS A 109 33.821 -5.811 -19.107 1.00 0.00 C ATOM 336 CE LYS A 109 32.562 -6.068 -19.949 1.00 0.00 C ATOM 337 NZ LYS A 109 31.968 -4.808 -20.429 1.00 0.00 N ATOM 0 H LYS A 109 32.427 -10.166 -17.634 1.00 0.00 H new ATOM 0 HA LYS A 109 35.025 -9.762 -18.773 1.00 0.00 H new ATOM 0 HB2 LYS A 109 32.851 -8.410 -19.069 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.097 -7.798 -17.445 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.392 -6.967 -18.163 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.025 -7.475 -19.799 1.00 0.00 H new ATOM 0 HD2 LYS A 109 33.544 -5.364 -18.152 1.00 0.00 H new ATOM 0 HD3 LYS A 109 34.469 -5.098 -19.617 1.00 0.00 H new ATOM 0 HE2 LYS A 109 32.815 -6.700 -20.800 1.00 0.00 H new ATOM 0 HE3 LYS A 109 31.830 -6.613 -19.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 31.120 -5.017 -20.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 31.705 -4.216 -19.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 32.659 -4.300 -21.017 1.00 0.00 H new ATOM 351 N TYR A 110 34.653 -8.939 -15.574 1.00 0.00 N ATOM 352 CA TYR A 110 35.397 -8.677 -14.347 1.00 0.00 C ATOM 353 C TYR A 110 35.585 -9.968 -13.551 1.00 0.00 C ATOM 354 O TYR A 110 36.693 -10.499 -13.480 1.00 0.00 O ATOM 355 CB TYR A 110 34.647 -7.631 -13.511 1.00 0.00 C ATOM 356 CG TYR A 110 34.453 -6.302 -14.216 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.537 -5.672 -14.859 1.00 0.00 C ATOM 358 CD2 TYR A 110 33.187 -5.690 -14.217 1.00 0.00 C ATOM 359 CE1 TYR A 110 35.350 -4.438 -15.504 1.00 0.00 C ATOM 360 CE2 TYR A 110 33.005 -4.455 -14.859 1.00 0.00 C ATOM 361 CZ TYR A 110 34.084 -3.830 -15.503 1.00 0.00 C ATOM 362 OH TYR A 110 33.902 -2.631 -16.127 1.00 0.00 O ATOM 0 H TYR A 110 33.641 -8.859 -15.473 1.00 0.00 H new ATOM 0 HA TYR A 110 36.384 -8.291 -14.600 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.671 -8.031 -13.237 1.00 0.00 H new ATOM 0 HB3 TYR A 110 35.194 -7.462 -12.583 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.511 -6.138 -14.856 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.355 -6.170 -13.724 1.00 0.00 H new ATOM 0 HE1 TYR A 110 36.180 -3.957 -16.001 1.00 0.00 H new ATOM 0 HE2 TYR A 110 32.033 -3.985 -14.857 1.00 0.00 H new ATOM 0 HH TYR A 110 32.967 -2.352 -16.032 1.00 0.00 H new ATOM 372 N GLY A 111 34.500 -10.463 -12.946 1.00 0.00 N ATOM 373 CA GLY A 111 34.535 -11.673 -12.141 1.00 0.00 C ATOM 374 C GLY A 111 33.614 -11.511 -10.932 1.00 0.00 C ATOM 375 O GLY A 111 33.120 -10.413 -10.674 1.00 0.00 O ATOM 0 H GLY A 111 33.578 -10.032 -13.005 1.00 0.00 H new ATOM 0 HA2 GLY A 111 34.220 -12.529 -12.739 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.554 -11.873 -11.810 1.00 0.00 H new ATOM 379 N PRO A 112 33.380 -12.604 -10.185 1.00 0.00 N ATOM 380 CA PRO A 112 32.530 -12.583 -9.012 1.00 0.00 C ATOM 381 C PRO A 112 33.159 -11.739 -7.898 1.00 0.00 C ATOM 382 O PRO A 112 34.294 -11.279 -8.024 1.00 0.00 O ATOM 383 CB PRO A 112 32.385 -14.048 -8.584 1.00 0.00 C ATOM 384 CG PRO A 112 33.393 -14.853 -9.413 1.00 0.00 C ATOM 385 CD PRO A 112 33.944 -13.904 -10.477 1.00 0.00 C ATOM 0 HA PRO A 112 31.560 -12.132 -9.223 1.00 0.00 H new ATOM 0 HB2 PRO A 112 32.583 -14.161 -7.518 1.00 0.00 H new ATOM 0 HB3 PRO A 112 31.369 -14.403 -8.759 1.00 0.00 H new ATOM 0 HG2 PRO A 112 34.196 -15.235 -8.782 1.00 0.00 H new ATOM 0 HG3 PRO A 112 32.913 -15.716 -9.875 1.00 0.00 H new ATOM 0 HD2 PRO A 112 35.033 -13.873 -10.445 1.00 0.00 H new ATOM 0 HD3 PRO A 112 33.664 -14.235 -11.477 1.00 0.00 H new ATOM 393 N LYS A 113 32.403 -11.549 -6.804 1.00 0.00 N ATOM 394 CA LYS A 113 32.850 -10.785 -5.636 1.00 0.00 C ATOM 395 C LYS A 113 33.095 -9.314 -6.000 1.00 0.00 C ATOM 396 O LYS A 113 33.882 -8.638 -5.342 1.00 0.00 O ATOM 397 CB LYS A 113 34.121 -11.417 -5.033 1.00 0.00 C ATOM 398 CG LYS A 113 33.863 -12.880 -4.629 1.00 0.00 C ATOM 399 CD LYS A 113 33.178 -12.942 -3.254 1.00 0.00 C ATOM 400 CE LYS A 113 34.216 -12.807 -2.130 1.00 0.00 C ATOM 401 NZ LYS A 113 35.034 -14.029 -2.003 1.00 0.00 N ATOM 0 H LYS A 113 31.460 -11.925 -6.708 1.00 0.00 H new ATOM 0 HA LYS A 113 32.059 -10.817 -4.887 1.00 0.00 H new ATOM 0 HB2 LYS A 113 34.934 -11.373 -5.758 1.00 0.00 H new ATOM 0 HB3 LYS A 113 34.439 -10.845 -4.162 1.00 0.00 H new ATOM 0 HG2 LYS A 113 33.236 -13.366 -5.377 1.00 0.00 H new ATOM 0 HG3 LYS A 113 34.805 -13.427 -4.598 1.00 0.00 H new ATOM 0 HD2 LYS A 113 32.439 -12.145 -3.173 1.00 0.00 H new ATOM 0 HD3 LYS A 113 32.642 -13.885 -3.150 1.00 0.00 H new ATOM 0 HE2 LYS A 113 34.863 -11.953 -2.331 1.00 0.00 H new ATOM 0 HE3 LYS A 113 33.709 -12.607 -1.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 35.488 -14.047 -1.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 34.426 -14.866 -2.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 35.765 -14.036 -2.742 1.00 0.00 H new ATOM 415 N ARG A 114 32.408 -8.823 -7.040 1.00 0.00 N ATOM 416 CA ARG A 114 32.509 -7.430 -7.471 1.00 0.00 C ATOM 417 C ARG A 114 31.098 -6.910 -7.752 1.00 0.00 C ATOM 418 O ARG A 114 30.837 -6.287 -8.782 1.00 0.00 O ATOM 419 CB ARG A 114 33.412 -7.339 -8.712 1.00 0.00 C ATOM 420 CG ARG A 114 34.870 -7.145 -8.275 1.00 0.00 C ATOM 421 CD ARG A 114 35.809 -7.783 -9.297 1.00 0.00 C ATOM 422 NE ARG A 114 35.781 -9.245 -9.180 1.00 0.00 N ATOM 423 CZ ARG A 114 36.666 -10.050 -9.783 1.00 0.00 C ATOM 424 NH1 ARG A 114 37.551 -9.551 -10.656 1.00 0.00 N ATOM 425 NH2 ARG A 114 36.662 -11.359 -9.506 1.00 0.00 N ATOM 0 H ARG A 114 31.768 -9.383 -7.603 1.00 0.00 H new ATOM 0 HA ARG A 114 32.960 -6.812 -6.695 1.00 0.00 H new ATOM 0 HB2 ARG A 114 33.319 -8.246 -9.309 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.097 -6.508 -9.343 1.00 0.00 H new ATOM 0 HG2 ARG A 114 35.091 -6.082 -8.179 1.00 0.00 H new ATOM 0 HG3 ARG A 114 35.027 -7.593 -7.294 1.00 0.00 H new ATOM 0 HD2 ARG A 114 35.515 -7.487 -10.304 1.00 0.00 H new ATOM 0 HD3 ARG A 114 36.825 -7.420 -9.142 1.00 0.00 H new ATOM 0 HE ARG A 114 35.050 -9.671 -8.610 1.00 0.00 H new ATOM 0 HH11 ARG A 114 37.554 -8.553 -10.865 1.00 0.00 H new ATOM 0 HH12 ARG A 114 38.222 -10.169 -11.112 1.00 0.00 H new ATOM 0 HH21 ARG A 114 35.988 -11.737 -8.840 1.00 0.00 H new ATOM 0 HH22 ARG A 114 37.333 -11.979 -9.961 1.00 0.00 H new ATOM 439 N TRP A 115 30.187 -7.182 -6.816 1.00 0.00 N ATOM 440 CA TRP A 115 28.797 -6.784 -6.941 1.00 0.00 C ATOM 441 C TRP A 115 28.654 -5.271 -6.830 1.00 0.00 C ATOM 442 O TRP A 115 27.665 -4.717 -7.290 1.00 0.00 O ATOM 443 CB TRP A 115 27.981 -7.521 -5.880 1.00 0.00 C ATOM 444 CG TRP A 115 28.037 -9.004 -6.050 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.520 -9.891 -5.163 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.640 -9.791 -7.207 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.472 -11.168 -5.671 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.937 -11.165 -6.948 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.067 -9.485 -8.462 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.692 -12.170 -7.887 1.00 0.00 C ATOM 451 CZ3 TRP A 115 26.810 -10.496 -9.406 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.132 -11.830 -9.125 1.00 0.00 C ATOM 0 H TRP A 115 30.399 -7.684 -5.954 1.00 0.00 H new ATOM 0 HA TRP A 115 28.416 -7.057 -7.925 1.00 0.00 H new ATOM 0 HB2 TRP A 115 28.353 -7.257 -4.890 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.943 -7.191 -5.929 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.895 -9.635 -4.183 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.787 -12.002 -5.176 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.823 -8.460 -8.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 27.932 -13.198 -7.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.361 -10.242 -10.355 1.00 0.00 H new ATOM 0 HH2 TRP A 115 26.948 -12.597 -9.863 1.00 0.00 H new ATOM 463 N SER A 116 29.647 -4.598 -6.238 1.00 0.00 N ATOM 464 CA SER A 116 29.630 -3.149 -6.141 1.00 0.00 C ATOM 465 C SER A 116 29.748 -2.555 -7.547 1.00 0.00 C ATOM 466 O SER A 116 29.030 -1.621 -7.892 1.00 0.00 O ATOM 467 CB SER A 116 30.787 -2.682 -5.252 1.00 0.00 C ATOM 468 OG SER A 116 30.757 -1.275 -5.136 1.00 0.00 O ATOM 0 H SER A 116 30.467 -5.040 -5.822 1.00 0.00 H new ATOM 0 HA SER A 116 28.696 -2.811 -5.693 1.00 0.00 H new ATOM 0 HB2 SER A 116 30.709 -3.140 -4.266 1.00 0.00 H new ATOM 0 HB3 SER A 116 31.738 -3.002 -5.678 1.00 0.00 H new ATOM 0 HG SER A 116 31.497 -0.978 -4.566 1.00 0.00 H new ATOM 474 N VAL A 117 30.659 -3.112 -8.357 1.00 0.00 N ATOM 475 CA VAL A 117 30.882 -2.646 -9.716 1.00 0.00 C ATOM 476 C VAL A 117 29.642 -2.929 -10.563 1.00 0.00 C ATOM 477 O VAL A 117 29.140 -2.041 -11.249 1.00 0.00 O ATOM 478 CB VAL A 117 32.119 -3.356 -10.295 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.340 -2.925 -11.747 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.357 -2.994 -9.467 1.00 0.00 C ATOM 0 H VAL A 117 31.255 -3.893 -8.083 1.00 0.00 H new ATOM 0 HA VAL A 117 31.061 -1.571 -9.721 1.00 0.00 H new ATOM 0 HB VAL A 117 31.956 -4.433 -10.260 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.217 -3.433 -12.148 1.00 0.00 H new ATOM 0 HG12 VAL A 117 31.465 -3.188 -12.342 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.495 -1.847 -11.787 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.231 -3.498 -9.880 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.512 -1.916 -9.497 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.209 -3.310 -8.434 1.00 0.00 H new ATOM 490 N ILE A 118 29.153 -4.170 -10.510 1.00 0.00 N ATOM 491 CA ILE A 118 27.984 -4.577 -11.274 1.00 0.00 C ATOM 492 C ILE A 118 26.763 -3.737 -10.868 1.00 0.00 C ATOM 493 O ILE A 118 25.983 -3.333 -11.727 1.00 0.00 O ATOM 494 CB ILE A 118 27.755 -6.086 -11.060 1.00 0.00 C ATOM 495 CG1 ILE A 118 28.734 -6.865 -11.952 1.00 0.00 C ATOM 496 CG2 ILE A 118 26.318 -6.471 -11.434 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.037 -8.235 -11.349 1.00 0.00 C ATOM 0 H ILE A 118 29.557 -4.912 -9.939 1.00 0.00 H new ATOM 0 HA ILE A 118 28.144 -4.402 -12.338 1.00 0.00 H new ATOM 0 HB ILE A 118 27.920 -6.327 -10.010 1.00 0.00 H new ATOM 0 HG12 ILE A 118 28.309 -6.986 -12.948 1.00 0.00 H new ATOM 0 HG13 ILE A 118 29.659 -6.300 -12.067 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.175 -7.540 -11.276 1.00 0.00 H new ATOM 0 HG22 ILE A 118 25.618 -5.915 -10.810 1.00 0.00 H new ATOM 0 HG23 ILE A 118 26.138 -6.232 -12.482 1.00 0.00 H new ATOM 0 HD11 ILE A 118 29.732 -8.771 -11.995 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.483 -8.108 -10.363 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.112 -8.805 -11.258 1.00 0.00 H new ATOM 509 N ALA A 119 26.602 -3.470 -9.564 1.00 0.00 N ATOM 510 CA ALA A 119 25.482 -2.675 -9.070 1.00 0.00 C ATOM 511 C ALA A 119 25.589 -1.234 -9.573 1.00 0.00 C ATOM 512 O ALA A 119 24.587 -0.642 -9.969 1.00 0.00 O ATOM 513 CB ALA A 119 25.466 -2.708 -7.541 1.00 0.00 C ATOM 0 H ALA A 119 27.237 -3.796 -8.836 1.00 0.00 H new ATOM 0 HA ALA A 119 24.550 -3.098 -9.445 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.629 -2.114 -7.173 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.358 -3.738 -7.200 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.400 -2.296 -7.158 1.00 0.00 H new ATOM 519 N LYS A 120 26.806 -0.669 -9.558 1.00 0.00 N ATOM 520 CA LYS A 120 27.031 0.699 -10.016 1.00 0.00 C ATOM 521 C LYS A 120 26.601 0.854 -11.478 1.00 0.00 C ATOM 522 O LYS A 120 26.233 1.951 -11.897 1.00 0.00 O ATOM 523 CB LYS A 120 28.510 1.062 -9.843 1.00 0.00 C ATOM 524 CG LYS A 120 28.776 1.452 -8.384 1.00 0.00 C ATOM 525 CD LYS A 120 30.283 1.433 -8.097 1.00 0.00 C ATOM 526 CE LYS A 120 30.996 2.486 -8.952 1.00 0.00 C ATOM 527 NZ LYS A 120 32.412 2.612 -8.562 1.00 0.00 N ATOM 0 H LYS A 120 27.647 -1.145 -9.232 1.00 0.00 H new ATOM 0 HA LYS A 120 26.428 1.380 -9.416 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.138 0.217 -10.124 1.00 0.00 H new ATOM 0 HB3 LYS A 120 28.772 1.888 -10.504 1.00 0.00 H new ATOM 0 HG2 LYS A 120 28.373 2.445 -8.186 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.262 0.761 -7.716 1.00 0.00 H new ATOM 0 HD2 LYS A 120 30.462 1.630 -7.040 1.00 0.00 H new ATOM 0 HD3 LYS A 120 30.689 0.444 -8.311 1.00 0.00 H new ATOM 0 HE2 LYS A 120 30.928 2.212 -10.005 1.00 0.00 H new ATOM 0 HE3 LYS A 120 30.497 3.449 -8.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 32.873 3.331 -9.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 32.473 2.896 -7.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 32.890 1.698 -8.692 1.00 0.00 H new ATOM 541 N HIS A 121 26.642 -0.240 -12.250 1.00 0.00 N ATOM 542 CA HIS A 121 26.241 -0.214 -13.645 1.00 0.00 C ATOM 543 C HIS A 121 24.736 -0.426 -13.728 1.00 0.00 C ATOM 544 O HIS A 121 24.035 0.345 -14.383 1.00 0.00 O ATOM 545 CB HIS A 121 27.004 -1.295 -14.413 1.00 0.00 C ATOM 546 CG HIS A 121 28.498 -1.135 -14.289 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.105 0.095 -14.063 1.00 0.00 N ATOM 548 CD2 HIS A 121 29.533 -2.031 -14.347 1.00 0.00 C ATOM 549 CE1 HIS A 121 30.430 -0.130 -14.001 1.00 0.00 C ATOM 550 NE2 HIS A 121 30.760 -1.411 -14.168 1.00 0.00 N ATOM 0 H HIS A 121 26.952 -1.154 -11.921 1.00 0.00 H new ATOM 0 HA HIS A 121 26.479 0.749 -14.096 1.00 0.00 H new ATOM 0 HB2 HIS A 121 26.713 -2.277 -14.040 1.00 0.00 H new ATOM 0 HB3 HIS A 121 26.722 -1.258 -15.465 1.00 0.00 H new ATOM 0 HD2 HIS A 121 29.408 -3.091 -14.512 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.156 0.651 -13.832 1.00 0.00 H new ATOM 0 HE2 HIS A 121 31.689 -1.832 -14.165 1.00 0.00 H new ATOM 558 N LEU A 122 24.238 -1.465 -13.047 1.00 0.00 N ATOM 559 CA LEU A 122 22.816 -1.746 -13.005 1.00 0.00 C ATOM 560 C LEU A 122 22.171 -0.851 -11.951 1.00 0.00 C ATOM 561 O LEU A 122 21.725 -1.330 -10.909 1.00 0.00 O ATOM 562 CB LEU A 122 22.583 -3.229 -12.679 1.00 0.00 C ATOM 563 CG LEU A 122 22.994 -4.112 -13.865 1.00 0.00 C ATOM 564 CD1 LEU A 122 22.937 -5.580 -13.443 1.00 0.00 C ATOM 565 CD2 LEU A 122 22.037 -3.887 -15.043 1.00 0.00 C ATOM 0 H LEU A 122 24.811 -2.123 -12.518 1.00 0.00 H new ATOM 0 HA LEU A 122 22.365 -1.541 -13.976 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.157 -3.507 -11.795 1.00 0.00 H new ATOM 0 HB3 LEU A 122 21.532 -3.394 -12.442 1.00 0.00 H new ATOM 0 HG LEU A 122 24.007 -3.852 -14.172 1.00 0.00 H new ATOM 0 HD11 LEU A 122 23.228 -6.211 -14.282 1.00 0.00 H new ATOM 0 HD12 LEU A 122 23.620 -5.746 -12.610 1.00 0.00 H new ATOM 0 HD13 LEU A 122 21.922 -5.831 -13.135 1.00 0.00 H new ATOM 0 HD21 LEU A 122 22.336 -4.518 -15.880 1.00 0.00 H new ATOM 0 HD22 LEU A 122 21.021 -4.143 -14.741 1.00 0.00 H new ATOM 0 HD23 LEU A 122 22.073 -2.841 -15.346 1.00 0.00 H new ATOM 577 N LYS A 123 22.130 0.456 -12.232 1.00 0.00 N ATOM 578 CA LYS A 123 21.568 1.434 -11.312 1.00 0.00 C ATOM 579 C LYS A 123 20.175 0.989 -10.869 1.00 0.00 C ATOM 580 O LYS A 123 19.316 0.708 -11.703 1.00 0.00 O ATOM 581 CB LYS A 123 21.509 2.806 -11.997 1.00 0.00 C ATOM 582 CG LYS A 123 22.931 3.331 -12.257 1.00 0.00 C ATOM 583 CD LYS A 123 23.500 3.982 -10.986 1.00 0.00 C ATOM 584 CE LYS A 123 23.036 5.441 -10.882 1.00 0.00 C ATOM 585 NZ LYS A 123 23.738 6.297 -11.857 1.00 0.00 N ATOM 0 H LYS A 123 22.485 0.858 -13.100 1.00 0.00 H new ATOM 0 HA LYS A 123 22.201 1.511 -10.428 1.00 0.00 H new ATOM 0 HB2 LYS A 123 20.965 2.728 -12.938 1.00 0.00 H new ATOM 0 HB3 LYS A 123 20.962 3.510 -11.370 1.00 0.00 H new ATOM 0 HG2 LYS A 123 23.576 2.512 -12.574 1.00 0.00 H new ATOM 0 HG3 LYS A 123 22.915 4.057 -13.070 1.00 0.00 H new ATOM 0 HD2 LYS A 123 23.174 3.426 -10.107 1.00 0.00 H new ATOM 0 HD3 LYS A 123 24.589 3.940 -11.004 1.00 0.00 H new ATOM 0 HE2 LYS A 123 21.961 5.496 -11.054 1.00 0.00 H new ATOM 0 HE3 LYS A 123 23.217 5.811 -9.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 23.659 7.292 -11.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 24.741 6.026 -11.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 23.309 6.177 -12.797 1.00 0.00 H new ATOM 599 N GLY A 124 19.967 0.921 -9.547 1.00 0.00 N ATOM 600 CA GLY A 124 18.701 0.491 -8.974 1.00 0.00 C ATOM 601 C GLY A 124 18.870 -0.875 -8.313 1.00 0.00 C ATOM 602 O GLY A 124 18.346 -1.108 -7.226 1.00 0.00 O ATOM 0 H GLY A 124 20.674 1.163 -8.853 1.00 0.00 H new ATOM 0 HA2 GLY A 124 18.357 1.220 -8.240 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.939 0.437 -9.752 1.00 0.00 H new ATOM 606 N ARG A 125 19.609 -1.777 -8.973 1.00 0.00 N ATOM 607 CA ARG A 125 19.851 -3.112 -8.451 1.00 0.00 C ATOM 608 C ARG A 125 21.047 -3.069 -7.507 1.00 0.00 C ATOM 609 O ARG A 125 22.188 -2.969 -7.955 1.00 0.00 O ATOM 610 CB ARG A 125 20.115 -4.081 -9.613 1.00 0.00 C ATOM 611 CG ARG A 125 18.889 -4.165 -10.534 1.00 0.00 C ATOM 612 CD ARG A 125 17.832 -5.085 -9.913 1.00 0.00 C ATOM 613 NE ARG A 125 16.572 -5.033 -10.665 1.00 0.00 N ATOM 614 CZ ARG A 125 16.404 -5.607 -11.869 1.00 0.00 C ATOM 615 NH1 ARG A 125 17.409 -6.269 -12.450 1.00 0.00 N ATOM 616 NH2 ARG A 125 15.227 -5.516 -12.493 1.00 0.00 N ATOM 0 H ARG A 125 20.049 -1.596 -9.875 1.00 0.00 H new ATOM 0 HA ARG A 125 18.977 -3.461 -7.902 1.00 0.00 H new ATOM 0 HB2 ARG A 125 20.982 -3.747 -10.182 1.00 0.00 H new ATOM 0 HB3 ARG A 125 20.352 -5.071 -9.222 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.472 -3.170 -10.690 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.184 -4.544 -11.513 1.00 0.00 H new ATOM 0 HD2 ARG A 125 18.204 -6.109 -9.893 1.00 0.00 H new ATOM 0 HD3 ARG A 125 17.653 -4.791 -8.879 1.00 0.00 H new ATOM 0 HE ARG A 125 15.783 -4.535 -10.252 1.00 0.00 H new ATOM 0 HH11 ARG A 125 18.311 -6.341 -11.980 1.00 0.00 H new ATOM 0 HH12 ARG A 125 17.274 -6.702 -13.364 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.456 -5.011 -12.056 1.00 0.00 H new ATOM 0 HH22 ARG A 125 15.099 -5.951 -13.407 1.00 0.00 H new ATOM 630 N ILE A 126 20.788 -3.143 -6.197 1.00 0.00 N ATOM 631 CA ILE A 126 21.853 -3.109 -5.204 1.00 0.00 C ATOM 632 C ILE A 126 22.644 -4.420 -5.240 1.00 0.00 C ATOM 633 O ILE A 126 22.242 -5.382 -5.901 1.00 0.00 O ATOM 634 CB ILE A 126 21.265 -2.848 -3.805 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.222 -3.921 -3.452 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.611 -1.460 -3.779 1.00 0.00 C ATOM 637 CD1 ILE A 126 19.915 -3.881 -1.953 1.00 0.00 C ATOM 0 H ILE A 126 19.850 -3.227 -5.806 1.00 0.00 H new ATOM 0 HA ILE A 126 22.538 -2.294 -5.437 1.00 0.00 H new ATOM 0 HB ILE A 126 22.068 -2.889 -3.069 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.309 -3.754 -4.023 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.595 -4.907 -3.729 1.00 0.00 H new ATOM 0 HG21 ILE A 126 20.194 -1.273 -2.790 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.359 -0.701 -4.007 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.815 -1.419 -4.522 1.00 0.00 H new ATOM 0 HD11 ILE A 126 19.175 -4.645 -1.713 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.828 -4.071 -1.389 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.522 -2.899 -1.688 1.00 0.00 H new ATOM 649 N GLY A 127 23.777 -4.448 -4.524 1.00 0.00 N ATOM 650 CA GLY A 127 24.651 -5.612 -4.477 1.00 0.00 C ATOM 651 C GLY A 127 23.872 -6.883 -4.137 1.00 0.00 C ATOM 652 O GLY A 127 24.153 -7.944 -4.692 1.00 0.00 O ATOM 0 H GLY A 127 24.106 -3.662 -3.964 1.00 0.00 H new ATOM 0 HA2 GLY A 127 25.148 -5.735 -5.439 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.432 -5.452 -3.733 1.00 0.00 H new ATOM 656 N LYS A 128 22.896 -6.780 -3.221 1.00 0.00 N ATOM 657 CA LYS A 128 22.097 -7.928 -2.818 1.00 0.00 C ATOM 658 C LYS A 128 21.387 -8.525 -4.029 1.00 0.00 C ATOM 659 O LYS A 128 21.518 -9.710 -4.287 1.00 0.00 O ATOM 660 CB LYS A 128 21.076 -7.508 -1.753 1.00 0.00 C ATOM 661 CG LYS A 128 20.263 -8.734 -1.308 1.00 0.00 C ATOM 662 CD LYS A 128 19.220 -8.315 -0.268 1.00 0.00 C ATOM 663 CE LYS A 128 18.425 -9.541 0.203 1.00 0.00 C ATOM 664 NZ LYS A 128 17.553 -10.070 -0.866 1.00 0.00 N ATOM 0 H LYS A 128 22.648 -5.910 -2.751 1.00 0.00 H new ATOM 0 HA LYS A 128 22.755 -8.686 -2.393 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.588 -7.068 -0.897 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.411 -6.743 -2.154 1.00 0.00 H new ATOM 0 HG2 LYS A 128 19.770 -9.187 -2.168 1.00 0.00 H new ATOM 0 HG3 LYS A 128 20.927 -9.489 -0.887 1.00 0.00 H new ATOM 0 HD2 LYS A 128 19.712 -7.842 0.582 1.00 0.00 H new ATOM 0 HD3 LYS A 128 18.544 -7.576 -0.697 1.00 0.00 H new ATOM 0 HE2 LYS A 128 19.115 -10.319 0.528 1.00 0.00 H new ATOM 0 HE3 LYS A 128 17.818 -9.271 1.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 16.695 -10.480 -0.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 17.287 -9.298 -1.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 18.062 -10.805 -1.397 1.00 0.00 H new ATOM 678 N GLN A 129 20.629 -7.700 -4.758 1.00 0.00 N ATOM 679 CA GLN A 129 19.863 -8.157 -5.912 1.00 0.00 C ATOM 680 C GLN A 129 20.789 -8.771 -6.958 1.00 0.00 C ATOM 681 O GLN A 129 20.580 -9.909 -7.381 1.00 0.00 O ATOM 682 CB GLN A 129 19.091 -6.977 -6.505 1.00 0.00 C ATOM 683 CG GLN A 129 18.081 -6.450 -5.483 1.00 0.00 C ATOM 684 CD GLN A 129 17.289 -5.290 -6.064 1.00 0.00 C ATOM 685 OE1 GLN A 129 17.553 -4.135 -5.750 1.00 0.00 O ATOM 686 NE2 GLN A 129 16.318 -5.600 -6.918 1.00 0.00 N ATOM 0 H GLN A 129 20.532 -6.703 -4.563 1.00 0.00 H new ATOM 0 HA GLN A 129 19.157 -8.925 -5.595 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.783 -6.184 -6.788 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.574 -7.288 -7.413 1.00 0.00 H new ATOM 0 HG2 GLN A 129 17.402 -7.250 -5.189 1.00 0.00 H new ATOM 0 HG3 GLN A 129 18.602 -6.127 -4.582 1.00 0.00 H new ATOM 0 HE21 GLN A 129 16.135 -6.576 -7.149 1.00 0.00 H new ATOM 0 HE22 GLN A 129 15.756 -4.861 -7.342 1.00 0.00 H new ATOM 695 N CYS A 130 21.809 -8.013 -7.376 1.00 0.00 N ATOM 696 CA CYS A 130 22.773 -8.481 -8.372 1.00 0.00 C ATOM 697 C CYS A 130 23.316 -9.855 -7.974 1.00 0.00 C ATOM 698 O CYS A 130 23.311 -10.781 -8.783 1.00 0.00 O ATOM 699 CB CYS A 130 23.917 -7.471 -8.501 1.00 0.00 C ATOM 700 SG CYS A 130 23.258 -5.897 -9.108 1.00 0.00 S ATOM 0 H CYS A 130 21.987 -7.068 -7.036 1.00 0.00 H new ATOM 0 HA CYS A 130 22.274 -8.573 -9.337 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.402 -7.328 -7.535 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.676 -7.849 -9.186 1.00 0.00 H new ATOM 0 HG CYS A 130 22.792 -5.208 -8.109 1.00 0.00 H new ATOM 706 N ARG A 131 23.781 -9.982 -6.726 1.00 0.00 N ATOM 707 CA ARG A 131 24.309 -11.239 -6.222 1.00 0.00 C ATOM 708 C ARG A 131 23.238 -12.323 -6.296 1.00 0.00 C ATOM 709 O ARG A 131 23.480 -13.388 -6.840 1.00 0.00 O ATOM 710 CB ARG A 131 24.770 -11.047 -4.772 1.00 0.00 C ATOM 711 CG ARG A 131 25.303 -12.373 -4.206 1.00 0.00 C ATOM 712 CD ARG A 131 25.328 -12.326 -2.677 1.00 0.00 C ATOM 713 NE ARG A 131 26.503 -11.587 -2.183 1.00 0.00 N ATOM 714 CZ ARG A 131 26.503 -10.264 -1.913 1.00 0.00 C ATOM 715 NH1 ARG A 131 25.405 -9.523 -2.116 1.00 0.00 N ATOM 716 NH2 ARG A 131 27.613 -9.687 -1.436 1.00 0.00 N ATOM 0 H ARG A 131 23.799 -9.220 -6.048 1.00 0.00 H new ATOM 0 HA ARG A 131 25.157 -11.549 -6.832 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.548 -10.285 -4.728 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.940 -10.690 -4.163 1.00 0.00 H new ATOM 0 HG2 ARG A 131 24.674 -13.198 -4.541 1.00 0.00 H new ATOM 0 HG3 ARG A 131 26.307 -12.562 -4.587 1.00 0.00 H new ATOM 0 HD2 ARG A 131 24.417 -11.852 -2.311 1.00 0.00 H new ATOM 0 HD3 ARG A 131 25.341 -13.341 -2.280 1.00 0.00 H new ATOM 0 HE ARG A 131 27.369 -12.106 -2.036 1.00 0.00 H new ATOM 0 HH11 ARG A 131 24.556 -9.958 -2.478 1.00 0.00 H new ATOM 0 HH12 ARG A 131 25.418 -8.525 -1.908 1.00 0.00 H new ATOM 0 HH21 ARG A 131 28.451 -10.246 -1.279 1.00 0.00 H new ATOM 0 HH22 ARG A 131 27.620 -8.688 -1.230 1.00 0.00 H new ATOM 730 N GLU A 132 22.063 -12.040 -5.730 1.00 0.00 N ATOM 731 CA GLU A 132 20.959 -12.988 -5.669 1.00 0.00 C ATOM 732 C GLU A 132 20.714 -13.626 -7.036 1.00 0.00 C ATOM 733 O GLU A 132 20.699 -14.844 -7.152 1.00 0.00 O ATOM 734 CB GLU A 132 19.710 -12.248 -5.169 1.00 0.00 C ATOM 735 CG GLU A 132 18.704 -13.232 -4.574 1.00 0.00 C ATOM 736 CD GLU A 132 17.600 -12.481 -3.838 1.00 0.00 C ATOM 737 OE1 GLU A 132 17.949 -11.761 -2.871 1.00 0.00 O ATOM 738 OE2 GLU A 132 16.433 -12.633 -4.252 1.00 0.00 O ATOM 0 H GLU A 132 21.854 -11.139 -5.299 1.00 0.00 H new ATOM 0 HA GLU A 132 21.203 -13.796 -4.979 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.994 -11.511 -4.418 1.00 0.00 H new ATOM 0 HB3 GLU A 132 19.250 -11.703 -5.993 1.00 0.00 H new ATOM 0 HG2 GLU A 132 18.271 -13.844 -5.366 1.00 0.00 H new ATOM 0 HG3 GLU A 132 19.211 -13.911 -3.888 1.00 0.00 H new ATOM 745 N ARG A 133 20.527 -12.802 -8.068 1.00 0.00 N ATOM 746 CA ARG A 133 20.264 -13.292 -9.418 1.00 0.00 C ATOM 747 C ARG A 133 21.319 -14.326 -9.847 1.00 0.00 C ATOM 748 O ARG A 133 21.027 -15.200 -10.660 1.00 0.00 O ATOM 749 CB ARG A 133 20.245 -12.089 -10.378 1.00 0.00 C ATOM 750 CG ARG A 133 19.751 -12.500 -11.776 1.00 0.00 C ATOM 751 CD ARG A 133 18.299 -12.987 -11.708 1.00 0.00 C ATOM 752 NE ARG A 133 17.695 -13.046 -13.047 1.00 0.00 N ATOM 753 CZ ARG A 133 16.544 -13.692 -13.315 1.00 0.00 C ATOM 754 NH1 ARG A 133 16.008 -14.506 -12.409 1.00 0.00 N ATOM 755 NH2 ARG A 133 15.936 -13.522 -14.493 1.00 0.00 N ATOM 0 H ARG A 133 20.554 -11.785 -7.991 1.00 0.00 H new ATOM 0 HA ARG A 133 19.298 -13.796 -9.443 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.598 -11.310 -9.976 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.246 -11.665 -10.453 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.826 -11.653 -12.458 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.388 -13.289 -12.176 1.00 0.00 H new ATOM 0 HD2 ARG A 133 18.265 -13.974 -11.247 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.718 -12.318 -11.073 1.00 0.00 H new ATOM 0 HE ARG A 133 18.173 -12.573 -13.814 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.469 -14.642 -11.509 1.00 0.00 H new ATOM 0 HH12 ARG A 133 15.136 -14.994 -12.614 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.344 -12.901 -15.192 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.064 -14.013 -14.693 1.00 0.00 H new ATOM 769 N TRP A 134 22.542 -14.225 -9.305 1.00 0.00 N ATOM 770 CA TRP A 134 23.630 -15.122 -9.671 1.00 0.00 C ATOM 771 C TRP A 134 23.721 -16.330 -8.728 1.00 0.00 C ATOM 772 O TRP A 134 23.901 -17.455 -9.186 1.00 0.00 O ATOM 773 CB TRP A 134 24.940 -14.337 -9.660 1.00 0.00 C ATOM 774 CG TRP A 134 25.990 -14.914 -10.547 1.00 0.00 C ATOM 775 CD1 TRP A 134 27.057 -15.632 -10.154 1.00 0.00 C ATOM 776 CD2 TRP A 134 26.079 -14.845 -11.993 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.807 -16.023 -11.238 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.240 -15.563 -12.414 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.294 -14.248 -13.001 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.587 -15.689 -13.760 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.642 -14.373 -14.354 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.771 -15.103 -14.734 1.00 0.00 C ATOM 0 H TRP A 134 22.795 -13.524 -8.608 1.00 0.00 H new ATOM 0 HA TRP A 134 23.435 -15.514 -10.669 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.741 -13.310 -9.967 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.321 -14.296 -8.639 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.293 -15.869 -9.127 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.663 -16.575 -11.183 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.413 -13.687 -12.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.475 -16.233 -14.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 25.031 -13.900 -15.109 1.00 0.00 H new ATOM 0 HH2 TRP A 134 27.014 -15.215 -15.780 1.00 0.00 H new ATOM 793 N HIS A 135 23.615 -16.100 -7.412 1.00 0.00 N ATOM 794 CA HIS A 135 23.752 -17.166 -6.419 1.00 0.00 C ATOM 795 C HIS A 135 22.412 -17.878 -6.185 1.00 0.00 C ATOM 796 O HIS A 135 22.129 -18.322 -5.074 1.00 0.00 O ATOM 797 CB HIS A 135 24.297 -16.567 -5.118 1.00 0.00 C ATOM 798 CG HIS A 135 25.735 -16.131 -5.246 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.789 -16.856 -4.699 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.329 -15.054 -5.854 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.920 -16.187 -5.003 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.708 -15.075 -5.708 1.00 0.00 N ATOM 0 H HIS A 135 23.434 -15.179 -7.012 1.00 0.00 H new ATOM 0 HA HIS A 135 24.451 -17.916 -6.788 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.685 -15.712 -4.830 1.00 0.00 H new ATOM 0 HB3 HIS A 135 24.213 -17.303 -4.319 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.788 -14.283 -6.382 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.903 -16.520 -4.704 1.00 0.00 H new ATOM 0 HE2 HIS A 135 28.393 -14.404 -6.055 1.00 0.00 H new ATOM 810 N ASN A 136 21.601 -17.994 -7.240 1.00 0.00 N ATOM 811 CA ASN A 136 20.315 -18.685 -7.185 1.00 0.00 C ATOM 812 C ASN A 136 20.164 -19.495 -8.449 1.00 0.00 C ATOM 813 O ASN A 136 19.984 -20.710 -8.410 1.00 0.00 O ATOM 814 CB ASN A 136 19.174 -17.668 -7.086 1.00 0.00 C ATOM 815 CG ASN A 136 18.971 -17.220 -5.651 1.00 0.00 C ATOM 816 OD1 ASN A 136 18.005 -17.614 -5.005 1.00 0.00 O ATOM 817 ND2 ASN A 136 19.883 -16.397 -5.152 1.00 0.00 N ATOM 0 H ASN A 136 21.821 -17.609 -8.159 1.00 0.00 H new ATOM 0 HA ASN A 136 20.277 -19.333 -6.309 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.396 -16.804 -7.713 1.00 0.00 H new ATOM 0 HB3 ASN A 136 18.253 -18.110 -7.467 1.00 0.00 H new ATOM 0 HD21 ASN A 136 19.798 -16.064 -4.192 1.00 0.00 H new ATOM 0 HD22 ASN A 136 20.669 -16.097 -5.728 1.00 0.00 H new ATOM 824 N HIS A 137 20.242 -18.796 -9.572 1.00 0.00 N ATOM 825 CA HIS A 137 20.133 -19.388 -10.880 1.00 0.00 C ATOM 826 C HIS A 137 21.084 -18.635 -11.818 1.00 0.00 C ATOM 827 O HIS A 137 22.031 -18.001 -11.357 1.00 0.00 O ATOM 828 CB HIS A 137 18.658 -19.328 -11.330 1.00 0.00 C ATOM 829 CG HIS A 137 17.939 -18.106 -10.824 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.814 -18.183 -10.010 1.00 0.00 N ATOM 831 CD2 HIS A 137 18.162 -16.767 -10.994 1.00 0.00 C ATOM 832 CE1 HIS A 137 16.438 -16.916 -9.747 1.00 0.00 C ATOM 833 NE2 HIS A 137 17.220 -16.001 -10.320 1.00 0.00 N ATOM 0 H HIS A 137 20.385 -17.786 -9.591 1.00 0.00 H new ATOM 0 HA HIS A 137 20.423 -20.439 -10.886 1.00 0.00 H new ATOM 0 HB2 HIS A 137 18.615 -19.343 -12.419 1.00 0.00 H new ATOM 0 HB3 HIS A 137 18.140 -20.220 -10.978 1.00 0.00 H new ATOM 0 HD1 HIS A 137 16.361 -19.034 -9.677 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.971 -16.356 -11.580 1.00 0.00 H new ATOM 0 HE1 HIS A 137 15.586 -16.666 -9.132 1.00 0.00 H new ATOM 841 N LEU A 138 20.840 -18.711 -13.122 1.00 0.00 N ATOM 842 CA LEU A 138 21.691 -18.071 -14.118 1.00 0.00 C ATOM 843 C LEU A 138 23.085 -18.713 -14.069 1.00 0.00 C ATOM 844 O LEU A 138 23.201 -19.908 -13.804 1.00 0.00 O ATOM 845 CB LEU A 138 21.744 -16.547 -13.850 1.00 0.00 C ATOM 846 CG LEU A 138 21.733 -15.764 -15.170 1.00 0.00 C ATOM 847 CD1 LEU A 138 20.363 -15.865 -15.846 1.00 0.00 C ATOM 848 CD2 LEU A 138 22.031 -14.296 -14.878 1.00 0.00 C ATOM 0 H LEU A 138 20.048 -19.217 -13.518 1.00 0.00 H new ATOM 0 HA LEU A 138 21.287 -18.215 -15.120 1.00 0.00 H new ATOM 0 HB2 LEU A 138 20.892 -16.250 -13.238 1.00 0.00 H new ATOM 0 HB3 LEU A 138 22.643 -16.303 -13.284 1.00 0.00 H new ATOM 0 HG LEU A 138 22.488 -16.184 -15.835 1.00 0.00 H new ATOM 0 HD11 LEU A 138 20.376 -15.303 -16.780 1.00 0.00 H new ATOM 0 HD12 LEU A 138 20.136 -16.911 -16.054 1.00 0.00 H new ATOM 0 HD13 LEU A 138 19.600 -15.453 -15.185 1.00 0.00 H new ATOM 0 HD21 LEU A 138 22.025 -13.731 -15.810 1.00 0.00 H new ATOM 0 HD22 LEU A 138 21.270 -13.897 -14.207 1.00 0.00 H new ATOM 0 HD23 LEU A 138 23.011 -14.210 -14.408 1.00 0.00 H new ATOM 860 N ASN A 139 24.132 -17.919 -14.324 1.00 0.00 N ATOM 861 CA ASN A 139 25.510 -18.393 -14.289 1.00 0.00 C ATOM 862 C ASN A 139 25.729 -19.531 -15.292 1.00 0.00 C ATOM 863 O ASN A 139 25.946 -20.675 -14.892 1.00 0.00 O ATOM 864 CB ASN A 139 25.862 -18.830 -12.857 1.00 0.00 C ATOM 865 CG ASN A 139 27.362 -19.074 -12.706 1.00 0.00 C ATOM 866 OD1 ASN A 139 28.118 -18.931 -13.660 1.00 0.00 O ATOM 867 ND2 ASN A 139 27.789 -19.443 -11.499 1.00 0.00 N ATOM 0 H ASN A 139 24.042 -16.931 -14.560 1.00 0.00 H new ATOM 0 HA ASN A 139 26.175 -17.580 -14.582 1.00 0.00 H new ATOM 0 HB2 ASN A 139 25.543 -18.063 -12.151 1.00 0.00 H new ATOM 0 HB3 ASN A 139 25.316 -19.740 -12.607 1.00 0.00 H new ATOM 0 HD21 ASN A 139 28.781 -19.619 -11.341 1.00 0.00 H new ATOM 0 HD22 ASN A 139 27.124 -19.550 -10.733 1.00 0.00 H new ATOM 874 N PRO A 140 25.686 -19.220 -16.604 1.00 0.00 N ATOM 875 CA PRO A 140 25.925 -20.197 -17.641 1.00 0.00 C ATOM 876 C PRO A 140 27.412 -20.550 -17.675 1.00 0.00 C ATOM 877 O PRO A 140 27.786 -21.682 -17.376 1.00 0.00 O ATOM 878 CB PRO A 140 25.480 -19.527 -18.945 1.00 0.00 C ATOM 879 CG PRO A 140 25.327 -18.032 -18.635 1.00 0.00 C ATOM 880 CD PRO A 140 25.406 -17.891 -17.113 1.00 0.00 C ATOM 0 HA PRO A 140 25.381 -21.127 -17.477 1.00 0.00 H new ATOM 0 HB2 PRO A 140 26.215 -19.687 -19.734 1.00 0.00 H new ATOM 0 HB3 PRO A 140 24.538 -19.949 -19.297 1.00 0.00 H new ATOM 0 HG2 PRO A 140 26.114 -17.453 -19.119 1.00 0.00 H new ATOM 0 HG3 PRO A 140 24.376 -17.654 -19.010 1.00 0.00 H new ATOM 0 HD2 PRO A 140 26.190 -17.190 -16.826 1.00 0.00 H new ATOM 0 HD3 PRO A 140 24.470 -17.507 -16.707 1.00 0.00 H new ATOM 888 N GLU A 141 28.250 -19.559 -18.041 1.00 0.00 N ATOM 889 CA GLU A 141 29.702 -19.720 -18.121 1.00 0.00 C ATOM 890 C GLU A 141 30.064 -21.066 -18.759 1.00 0.00 C ATOM 891 O GLU A 141 30.810 -21.851 -18.190 1.00 0.00 O ATOM 892 CB GLU A 141 30.311 -19.584 -16.719 1.00 0.00 C ATOM 893 CG GLU A 141 30.097 -18.157 -16.192 1.00 0.00 C ATOM 894 CD GLU A 141 30.861 -17.928 -14.889 1.00 0.00 C ATOM 895 OE1 GLU A 141 31.276 -18.939 -14.281 1.00 0.00 O ATOM 896 OE2 GLU A 141 31.016 -16.741 -14.526 1.00 0.00 O ATOM 0 H GLU A 141 27.929 -18.623 -18.289 1.00 0.00 H new ATOM 0 HA GLU A 141 30.116 -18.937 -18.757 1.00 0.00 H new ATOM 0 HB2 GLU A 141 29.851 -20.304 -16.042 1.00 0.00 H new ATOM 0 HB3 GLU A 141 31.376 -19.813 -16.752 1.00 0.00 H new ATOM 0 HG2 GLU A 141 30.426 -17.437 -16.941 1.00 0.00 H new ATOM 0 HG3 GLU A 141 29.034 -17.983 -16.028 1.00 0.00 H new HETATM 903 N NH2 A 142 29.532 -21.328 -19.948 1.00 0.00 N TER 906 NH2 A 142