USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 603 hydrogens (0 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.519 X(o=-0.52,f=-0.042) USER MOD Single : A 23 CYS SG : rot 57:sc= -9.15! USER MOD Single : A 24 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-2.1!) USER MOD Single : A 25 GLN : amide:sc= -0.24 K(o=-0.24,f=-0.82) USER MOD Single : A 28 HIS : no HD1:sc= -0.0189 X(o=-0.019,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -2.49! USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc=-0.000451 X(o=-0.00045,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.424 K(o=-0.42,f=-2.8!) USER MOD Single : A 39 MET CE :methyl 174:sc= -0.0505 (180deg=-0.113) USER MOD Single : A 41 HIS : no HD1:sc= -0.0648 X(o=-0.065,f=-0.53) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= 0.0583 X(o=0.058,f=-0.0053) USER MOD Single : A 52 ASN : amide:sc= -0.011 X(o=-0.011,f=-0.013) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -172:sc= -2.83! (180deg=-3.14!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0.0833 K(o=0.083,f=-2.3!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.346 -12.204 2.301 1.00 0.00 N ATOM 2 CA GLY A 1 7.279 -12.767 3.638 1.00 0.00 C ATOM 3 C GLY A 1 7.489 -11.686 4.700 1.00 0.00 C ATOM 4 O GLY A 1 8.438 -10.907 4.619 1.00 0.00 O ATOM 0 H1 GLY A 1 7.200 -12.958 1.599 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.606 -11.481 2.191 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.279 -11.769 2.154 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.311 -13.245 3.787 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.037 -13.542 3.748 1.00 0.00 H new ATOM 8 N SER A 2 6.588 -11.672 5.671 1.00 0.00 N ATOM 9 CA SER A 2 6.662 -10.698 6.747 1.00 0.00 C ATOM 10 C SER A 2 5.703 -11.089 7.874 1.00 0.00 C ATOM 11 O SER A 2 4.783 -11.879 7.665 1.00 0.00 O ATOM 12 CB SER A 2 6.340 -9.291 6.241 1.00 0.00 C ATOM 13 OG SER A 2 6.820 -8.282 7.126 1.00 0.00 O ATOM 0 H SER A 2 5.803 -12.320 5.735 1.00 0.00 H new ATOM 0 HA SER A 2 7.682 -10.691 7.132 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.784 -9.150 5.256 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.261 -9.186 6.123 1.00 0.00 H new ATOM 0 HG SER A 2 6.596 -7.398 6.767 1.00 0.00 H new ATOM 19 N SER A 3 5.952 -10.519 9.044 1.00 0.00 N ATOM 20 CA SER A 3 5.122 -10.798 10.203 1.00 0.00 C ATOM 21 C SER A 3 4.853 -9.506 10.978 1.00 0.00 C ATOM 22 O SER A 3 5.692 -8.607 11.002 1.00 0.00 O ATOM 23 CB SER A 3 5.780 -11.836 11.114 1.00 0.00 C ATOM 24 OG SER A 3 5.589 -13.165 10.636 1.00 0.00 O ATOM 0 H SER A 3 6.717 -9.866 9.214 1.00 0.00 H new ATOM 0 HA SER A 3 4.174 -11.209 9.854 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.847 -11.628 11.189 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.367 -11.750 12.119 1.00 0.00 H new ATOM 0 HG SER A 3 6.025 -13.797 11.244 1.00 0.00 H new ATOM 30 N GLY A 4 3.680 -9.455 11.592 1.00 0.00 N ATOM 31 CA GLY A 4 3.291 -8.288 12.365 1.00 0.00 C ATOM 32 C GLY A 4 2.445 -7.330 11.524 1.00 0.00 C ATOM 33 O GLY A 4 2.573 -7.294 10.301 1.00 0.00 O ATOM 0 H GLY A 4 2.987 -10.203 11.570 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.727 -8.601 13.244 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.181 -7.772 12.725 1.00 0.00 H new ATOM 37 N SER A 5 1.599 -6.578 12.213 1.00 0.00 N ATOM 38 CA SER A 5 0.732 -5.622 11.544 1.00 0.00 C ATOM 39 C SER A 5 0.602 -4.354 12.389 1.00 0.00 C ATOM 40 O SER A 5 -0.230 -4.288 13.292 1.00 0.00 O ATOM 41 CB SER A 5 -0.648 -6.225 11.276 1.00 0.00 C ATOM 42 OG SER A 5 -0.888 -6.410 9.883 1.00 0.00 O ATOM 0 H SER A 5 1.495 -6.611 13.227 1.00 0.00 H new ATOM 0 HA SER A 5 1.180 -5.367 10.584 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.731 -7.183 11.789 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.416 -5.573 11.693 1.00 0.00 H new ATOM 0 HG SER A 5 -1.778 -6.798 9.753 1.00 0.00 H new ATOM 48 N SER A 6 1.438 -3.377 12.065 1.00 0.00 N ATOM 49 CA SER A 6 1.426 -2.114 12.783 1.00 0.00 C ATOM 50 C SER A 6 0.694 -1.051 11.962 1.00 0.00 C ATOM 51 O SER A 6 0.394 -1.267 10.788 1.00 0.00 O ATOM 52 CB SER A 6 2.849 -1.650 13.104 1.00 0.00 C ATOM 53 OG SER A 6 3.596 -2.653 13.788 1.00 0.00 O ATOM 0 H SER A 6 2.127 -3.435 11.315 1.00 0.00 H new ATOM 0 HA SER A 6 0.899 -2.262 13.726 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.361 -1.384 12.179 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.807 -0.749 13.716 1.00 0.00 H new ATOM 0 HG SER A 6 4.499 -2.319 13.973 1.00 0.00 H new ATOM 59 N GLY A 7 0.427 0.072 12.610 1.00 0.00 N ATOM 60 CA GLY A 7 -0.265 1.169 11.954 1.00 0.00 C ATOM 61 C GLY A 7 0.510 2.479 12.113 1.00 0.00 C ATOM 62 O GLY A 7 0.104 3.356 12.875 1.00 0.00 O ATOM 0 H GLY A 7 0.677 0.247 13.583 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.391 0.943 10.895 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.263 1.279 12.377 1.00 0.00 H new ATOM 66 N PRO A 8 1.640 2.573 11.363 1.00 0.00 N ATOM 67 CA PRO A 8 2.475 3.762 11.413 1.00 0.00 C ATOM 68 C PRO A 8 1.828 4.918 10.648 1.00 0.00 C ATOM 69 O PRO A 8 1.970 6.078 11.033 1.00 0.00 O ATOM 70 CB PRO A 8 3.808 3.331 10.824 1.00 0.00 C ATOM 71 CG PRO A 8 3.526 2.058 10.042 1.00 0.00 C ATOM 72 CD PRO A 8 2.151 1.555 10.450 1.00 0.00 C ATOM 0 HA PRO A 8 2.607 4.142 12.426 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.217 4.105 10.175 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.543 3.152 11.609 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.558 2.253 8.970 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.286 1.305 10.252 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.500 1.437 9.584 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.214 0.582 10.937 1.00 0.00 H new ATOM 80 N ASP A 9 1.133 4.563 9.578 1.00 0.00 N ATOM 81 CA ASP A 9 0.464 5.557 8.756 1.00 0.00 C ATOM 82 C ASP A 9 -0.594 4.869 7.891 1.00 0.00 C ATOM 83 O ASP A 9 -0.263 4.062 7.024 1.00 0.00 O ATOM 84 CB ASP A 9 1.455 6.257 7.823 1.00 0.00 C ATOM 85 CG ASP A 9 0.847 7.337 6.927 1.00 0.00 C ATOM 86 OD1 ASP A 9 0.416 6.972 5.811 1.00 0.00 O ATOM 87 OD2 ASP A 9 0.826 8.503 7.377 1.00 0.00 O ATOM 0 H ASP A 9 1.018 3.600 9.261 1.00 0.00 H new ATOM 0 HA ASP A 9 0.011 6.294 9.419 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.243 6.708 8.427 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.928 5.506 7.191 1.00 0.00 H new ATOM 92 N ALA A 10 -1.845 5.214 8.157 1.00 0.00 N ATOM 93 CA ALA A 10 -2.954 4.640 7.414 1.00 0.00 C ATOM 94 C ALA A 10 -3.107 3.165 7.792 1.00 0.00 C ATOM 95 O ALA A 10 -2.299 2.330 7.389 1.00 0.00 O ATOM 96 CB ALA A 10 -2.720 4.835 5.915 1.00 0.00 C ATOM 0 H ALA A 10 -2.115 5.884 8.877 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.887 5.144 7.667 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.552 4.404 5.358 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.647 5.900 5.694 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.794 4.340 5.624 1.00 0.00 H new ATOM 102 N ASP A 11 -4.148 2.890 8.563 1.00 0.00 N ATOM 103 CA ASP A 11 -4.417 1.531 9.001 1.00 0.00 C ATOM 104 C ASP A 11 -4.151 0.565 7.844 1.00 0.00 C ATOM 105 O ASP A 11 -4.146 0.969 6.682 1.00 0.00 O ATOM 106 CB ASP A 11 -5.878 1.368 9.426 1.00 0.00 C ATOM 107 CG ASP A 11 -6.085 0.956 10.885 1.00 0.00 C ATOM 108 OD1 ASP A 11 -5.099 1.055 11.648 1.00 0.00 O ATOM 109 OD2 ASP A 11 -7.224 0.553 11.205 1.00 0.00 O ATOM 0 H ASP A 11 -4.816 3.585 8.896 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.768 1.316 9.850 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.398 2.310 9.253 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.347 0.622 8.784 1.00 0.00 H new ATOM 114 N PRO A 12 -3.931 -0.726 8.212 1.00 0.00 N ATOM 115 CA PRO A 12 -3.665 -1.752 7.219 1.00 0.00 C ATOM 116 C PRO A 12 -4.945 -2.145 6.479 1.00 0.00 C ATOM 117 O PRO A 12 -5.043 -1.972 5.265 1.00 0.00 O ATOM 118 CB PRO A 12 -3.052 -2.904 7.998 1.00 0.00 C ATOM 119 CG PRO A 12 -3.423 -2.668 9.453 1.00 0.00 C ATOM 120 CD PRO A 12 -3.930 -1.240 9.578 1.00 0.00 C ATOM 0 HA PRO A 12 -2.987 -1.413 6.436 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.437 -3.861 7.647 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.970 -2.930 7.870 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.190 -3.375 9.771 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.558 -2.824 10.098 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.929 -1.211 10.013 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.284 -0.646 10.224 1.00 0.00 H new ATOM 128 N VAL A 13 -5.895 -2.665 7.242 1.00 0.00 N ATOM 129 CA VAL A 13 -7.166 -3.084 6.675 1.00 0.00 C ATOM 130 C VAL A 13 -7.625 -2.050 5.645 1.00 0.00 C ATOM 131 O VAL A 13 -7.862 -2.386 4.486 1.00 0.00 O ATOM 132 CB VAL A 13 -8.188 -3.311 7.790 1.00 0.00 C ATOM 133 CG1 VAL A 13 -8.249 -2.106 8.731 1.00 0.00 C ATOM 134 CG2 VAL A 13 -9.569 -3.627 7.212 1.00 0.00 C ATOM 0 H VAL A 13 -5.810 -2.806 8.249 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.057 -4.036 6.155 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.864 -4.174 8.372 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.983 -2.293 9.515 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.270 -1.947 9.182 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.538 -1.219 8.168 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.277 -3.784 8.026 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.905 -2.793 6.595 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.511 -4.529 6.603 1.00 0.00 H new ATOM 144 N GLU A 14 -7.736 -0.812 6.105 1.00 0.00 N ATOM 145 CA GLU A 14 -8.162 0.273 5.239 1.00 0.00 C ATOM 146 C GLU A 14 -7.431 0.200 3.897 1.00 0.00 C ATOM 147 O GLU A 14 -8.063 0.127 2.844 1.00 0.00 O ATOM 148 CB GLU A 14 -7.941 1.630 5.910 1.00 0.00 C ATOM 149 CG GLU A 14 -9.256 2.194 6.454 1.00 0.00 C ATOM 150 CD GLU A 14 -9.781 3.319 5.560 1.00 0.00 C ATOM 151 OE1 GLU A 14 -10.167 3.002 4.415 1.00 0.00 O ATOM 152 OE2 GLU A 14 -9.784 4.472 6.043 1.00 0.00 O ATOM 0 H GLU A 14 -7.538 -0.537 7.067 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.231 0.165 5.055 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.222 1.525 6.723 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.511 2.329 5.192 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.998 1.399 6.518 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.104 2.570 7.466 1.00 0.00 H new ATOM 159 N ILE A 15 -6.109 0.222 3.978 1.00 0.00 N ATOM 160 CA ILE A 15 -5.285 0.158 2.783 1.00 0.00 C ATOM 161 C ILE A 15 -5.765 -0.994 1.898 1.00 0.00 C ATOM 162 O ILE A 15 -5.996 -0.810 0.704 1.00 0.00 O ATOM 163 CB ILE A 15 -3.804 0.070 3.157 1.00 0.00 C ATOM 164 CG1 ILE A 15 -3.360 1.312 3.933 1.00 0.00 C ATOM 165 CG2 ILE A 15 -2.938 -0.171 1.919 1.00 0.00 C ATOM 166 CD1 ILE A 15 -2.103 1.023 4.757 1.00 0.00 C ATOM 0 H ILE A 15 -5.588 0.283 4.853 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.389 1.073 2.200 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.669 -0.788 3.816 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.164 2.129 3.238 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.164 1.640 4.592 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.890 -0.229 2.214 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.234 -1.106 1.444 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.072 0.651 1.216 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.808 1.922 5.299 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.310 0.222 5.467 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.294 0.719 4.093 1.00 0.00 H new ATOM 178 N GLU A 16 -5.900 -2.157 2.518 1.00 0.00 N ATOM 179 CA GLU A 16 -6.348 -3.339 1.801 1.00 0.00 C ATOM 180 C GLU A 16 -7.700 -3.076 1.136 1.00 0.00 C ATOM 181 O GLU A 16 -7.800 -3.058 -0.090 1.00 0.00 O ATOM 182 CB GLU A 16 -6.422 -4.550 2.733 1.00 0.00 C ATOM 183 CG GLU A 16 -5.053 -4.857 3.343 1.00 0.00 C ATOM 184 CD GLU A 16 -4.715 -6.344 3.211 1.00 0.00 C ATOM 185 OE1 GLU A 16 -5.331 -7.134 3.958 1.00 0.00 O ATOM 186 OE2 GLU A 16 -3.848 -6.656 2.366 1.00 0.00 O ATOM 0 H GLU A 16 -5.707 -2.306 3.508 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.620 -3.565 1.022 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.143 -4.358 3.527 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.780 -5.418 2.180 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.288 -4.261 2.846 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.047 -4.571 4.395 1.00 0.00 H new ATOM 193 N ASN A 17 -8.707 -2.878 1.974 1.00 0.00 N ATOM 194 CA ASN A 17 -10.049 -2.616 1.482 1.00 0.00 C ATOM 195 C ASN A 17 -9.969 -1.721 0.244 1.00 0.00 C ATOM 196 O ASN A 17 -10.615 -1.994 -0.767 1.00 0.00 O ATOM 197 CB ASN A 17 -10.890 -1.891 2.535 1.00 0.00 C ATOM 198 CG ASN A 17 -11.847 -2.859 3.234 1.00 0.00 C ATOM 199 OD1 ASN A 17 -12.728 -3.447 2.629 1.00 0.00 O ATOM 200 ND2 ASN A 17 -11.626 -2.990 4.539 1.00 0.00 N ATOM 0 H ASN A 17 -8.621 -2.894 2.990 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.513 -3.573 1.245 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.235 -1.426 3.272 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.458 -1.090 2.063 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.212 -3.613 5.095 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.871 -2.468 4.983 1.00 0.00 H new ATOM 207 N ARG A 18 -9.170 -0.671 0.363 1.00 0.00 N ATOM 208 CA ARG A 18 -8.997 0.266 -0.735 1.00 0.00 C ATOM 209 C ARG A 18 -8.628 -0.482 -2.017 1.00 0.00 C ATOM 210 O ARG A 18 -9.243 -0.271 -3.062 1.00 0.00 O ATOM 211 CB ARG A 18 -7.905 1.289 -0.418 1.00 0.00 C ATOM 212 CG ARG A 18 -8.465 2.713 -0.437 1.00 0.00 C ATOM 213 CD ARG A 18 -9.228 2.985 -1.735 1.00 0.00 C ATOM 214 NE ARG A 18 -8.696 4.201 -2.389 1.00 0.00 N ATOM 215 CZ ARG A 18 -9.176 4.710 -3.532 1.00 0.00 C ATOM 216 NH1 ARG A 18 -10.201 4.111 -4.154 1.00 0.00 N ATOM 217 NH2 ARG A 18 -8.632 5.818 -4.052 1.00 0.00 N ATOM 0 H ARG A 18 -8.635 -0.448 1.202 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.942 0.791 -0.875 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.476 1.076 0.561 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.098 1.202 -1.146 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.128 2.858 0.416 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.650 3.429 -0.333 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.136 2.131 -2.406 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.290 3.111 -1.523 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.915 4.682 -1.942 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.616 3.268 -3.757 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.566 4.498 -5.024 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.852 6.274 -3.578 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.997 6.206 -4.922 1.00 0.00 H new ATOM 231 N ILE A 19 -7.626 -1.341 -1.897 1.00 0.00 N ATOM 232 CA ILE A 19 -7.168 -2.121 -3.034 1.00 0.00 C ATOM 233 C ILE A 19 -8.341 -2.923 -3.602 1.00 0.00 C ATOM 234 O ILE A 19 -8.509 -3.007 -4.817 1.00 0.00 O ATOM 235 CB ILE A 19 -5.965 -2.982 -2.643 1.00 0.00 C ATOM 236 CG1 ILE A 19 -4.693 -2.137 -2.550 1.00 0.00 C ATOM 237 CG2 ILE A 19 -5.801 -4.162 -3.603 1.00 0.00 C ATOM 238 CD1 ILE A 19 -3.674 -2.783 -1.609 1.00 0.00 C ATOM 0 H ILE A 19 -7.118 -1.514 -1.029 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.815 -1.465 -3.830 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.149 -3.396 -1.652 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.256 -2.021 -3.542 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.941 -1.138 -2.193 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.939 -4.758 -3.303 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.698 -4.781 -3.575 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.649 -3.789 -4.616 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.779 -2.163 -1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.106 -2.875 -0.613 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.410 -3.772 -1.983 1.00 0.00 H new ATOM 250 N ILE A 20 -9.121 -3.493 -2.694 1.00 0.00 N ATOM 251 CA ILE A 20 -10.273 -4.286 -3.089 1.00 0.00 C ATOM 252 C ILE A 20 -11.155 -3.462 -4.030 1.00 0.00 C ATOM 253 O ILE A 20 -11.460 -3.897 -5.140 1.00 0.00 O ATOM 254 CB ILE A 20 -11.011 -4.810 -1.856 1.00 0.00 C ATOM 255 CG1 ILE A 20 -10.046 -5.507 -0.895 1.00 0.00 C ATOM 256 CG2 ILE A 20 -12.175 -5.717 -2.258 1.00 0.00 C ATOM 257 CD1 ILE A 20 -9.113 -6.458 -1.648 1.00 0.00 C ATOM 0 H ILE A 20 -8.978 -3.421 -1.687 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.956 -5.170 -3.641 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.436 -3.959 -1.324 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.457 -4.761 -0.361 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.611 -6.063 -0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -12.683 -6.076 -1.363 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -12.878 -5.156 -2.873 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -11.795 -6.567 -2.825 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.438 -6.940 -0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.704 -7.217 -2.161 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.532 -5.895 -2.379 1.00 0.00 H new ATOM 269 N GLU A 21 -11.539 -2.288 -3.552 1.00 0.00 N ATOM 270 CA GLU A 21 -12.380 -1.400 -4.337 1.00 0.00 C ATOM 271 C GLU A 21 -11.772 -1.180 -5.723 1.00 0.00 C ATOM 272 O GLU A 21 -12.496 -1.022 -6.705 1.00 0.00 O ATOM 273 CB GLU A 21 -12.595 -0.068 -3.615 1.00 0.00 C ATOM 274 CG GLU A 21 -13.773 -0.155 -2.642 1.00 0.00 C ATOM 275 CD GLU A 21 -14.767 0.983 -2.882 1.00 0.00 C ATOM 276 OE1 GLU A 21 -14.314 2.147 -2.851 1.00 0.00 O ATOM 277 OE2 GLU A 21 -15.957 0.662 -3.090 1.00 0.00 O ATOM 0 H GLU A 21 -11.284 -1.931 -2.631 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.355 -1.871 -4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.690 0.206 -3.072 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -12.779 0.720 -4.345 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -14.277 -1.114 -2.760 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.406 -0.112 -1.616 1.00 0.00 H new ATOM 284 N LEU A 22 -10.447 -1.176 -5.759 1.00 0.00 N ATOM 285 CA LEU A 22 -9.733 -0.978 -7.009 1.00 0.00 C ATOM 286 C LEU A 22 -9.744 -2.281 -7.810 1.00 0.00 C ATOM 287 O LEU A 22 -10.232 -2.317 -8.938 1.00 0.00 O ATOM 288 CB LEU A 22 -8.329 -0.431 -6.743 1.00 0.00 C ATOM 289 CG LEU A 22 -8.157 1.081 -6.899 1.00 0.00 C ATOM 290 CD1 LEU A 22 -7.478 1.686 -5.669 1.00 0.00 C ATOM 291 CD2 LEU A 22 -7.408 1.417 -8.190 1.00 0.00 C ATOM 0 H LEU A 22 -9.850 -1.307 -4.943 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.233 -0.225 -7.618 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.039 -0.707 -5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.633 -0.927 -7.419 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.147 1.531 -6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.368 2.762 -5.806 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.087 1.493 -4.786 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.495 1.235 -5.537 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.299 2.498 -8.277 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.422 0.953 -8.170 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.969 1.039 -9.045 1.00 0.00 H new ATOM 303 N CYS A 23 -9.199 -3.321 -7.195 1.00 0.00 N ATOM 304 CA CYS A 23 -9.140 -4.623 -7.836 1.00 0.00 C ATOM 305 C CYS A 23 -10.498 -4.901 -8.485 1.00 0.00 C ATOM 306 O CYS A 23 -10.578 -5.616 -9.482 1.00 0.00 O ATOM 307 CB CYS A 23 -8.743 -5.723 -6.849 1.00 0.00 C ATOM 308 SG CYS A 23 -7.116 -5.338 -6.105 1.00 0.00 S ATOM 0 H CYS A 23 -8.794 -3.288 -6.259 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.366 -4.618 -8.603 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.498 -5.812 -6.068 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.700 -6.684 -7.361 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.168 -4.176 -5.525 1.00 0.00 H new ATOM 314 N HIS A 24 -11.531 -4.322 -7.891 1.00 0.00 N ATOM 315 CA HIS A 24 -12.881 -4.499 -8.398 1.00 0.00 C ATOM 316 C HIS A 24 -13.128 -3.523 -9.550 1.00 0.00 C ATOM 317 O HIS A 24 -13.674 -3.904 -10.585 1.00 0.00 O ATOM 318 CB HIS A 24 -13.907 -4.358 -7.272 1.00 0.00 C ATOM 319 CG HIS A 24 -14.364 -5.675 -6.690 1.00 0.00 C ATOM 320 ND1 HIS A 24 -14.731 -6.754 -7.474 1.00 0.00 N ATOM 321 CD2 HIS A 24 -14.509 -6.073 -5.394 1.00 0.00 C ATOM 322 CE1 HIS A 24 -15.079 -7.752 -6.675 1.00 0.00 C ATOM 323 NE2 HIS A 24 -14.941 -7.328 -5.386 1.00 0.00 N ATOM 0 H HIS A 24 -11.460 -3.730 -7.063 1.00 0.00 H new ATOM 0 HA HIS A 24 -12.996 -5.509 -8.792 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -13.477 -3.750 -6.476 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -14.775 -3.819 -7.651 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -14.307 -5.469 -4.522 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -15.413 -8.730 -6.989 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -15.137 -7.884 -4.553 1.00 0.00 H new ATOM 331 N GLN A 25 -12.714 -2.283 -9.333 1.00 0.00 N ATOM 332 CA GLN A 25 -12.884 -1.250 -10.340 1.00 0.00 C ATOM 333 C GLN A 25 -12.173 -1.649 -11.635 1.00 0.00 C ATOM 334 O GLN A 25 -12.573 -1.232 -12.721 1.00 0.00 O ATOM 335 CB GLN A 25 -12.378 0.101 -9.830 1.00 0.00 C ATOM 336 CG GLN A 25 -13.541 0.992 -9.390 1.00 0.00 C ATOM 337 CD GLN A 25 -13.291 1.570 -7.995 1.00 0.00 C ATOM 338 OE1 GLN A 25 -13.937 1.216 -7.023 1.00 0.00 O ATOM 339 NE2 GLN A 25 -12.320 2.478 -7.952 1.00 0.00 N ATOM 0 H GLN A 25 -12.261 -1.971 -8.474 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.948 -1.146 -10.550 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.697 -0.054 -8.993 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.810 0.600 -10.615 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.673 1.804 -10.106 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -14.466 0.415 -9.388 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.818 2.729 -8.804 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.077 2.923 -7.067 1.00 0.00 H new ATOM 348 N PHE A 26 -11.131 -2.452 -11.477 1.00 0.00 N ATOM 349 CA PHE A 26 -10.360 -2.912 -12.619 1.00 0.00 C ATOM 350 C PHE A 26 -10.342 -4.440 -12.689 1.00 0.00 C ATOM 351 O PHE A 26 -9.665 -5.093 -11.896 1.00 0.00 O ATOM 352 CB PHE A 26 -8.930 -2.404 -12.428 1.00 0.00 C ATOM 353 CG PHE A 26 -8.815 -0.880 -12.353 1.00 0.00 C ATOM 354 CD1 PHE A 26 -9.204 -0.224 -11.227 1.00 0.00 C ATOM 355 CD2 PHE A 26 -8.324 -0.183 -13.412 1.00 0.00 C ATOM 356 CE1 PHE A 26 -9.097 1.191 -11.158 1.00 0.00 C ATOM 357 CE2 PHE A 26 -8.217 1.232 -13.342 1.00 0.00 C ATOM 358 CZ PHE A 26 -8.606 1.888 -12.217 1.00 0.00 C ATOM 0 H PHE A 26 -10.803 -2.796 -10.575 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.804 -2.539 -13.542 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.522 -2.834 -11.513 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.314 -2.764 -13.252 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -9.594 -0.778 -10.386 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.015 -0.705 -14.306 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -9.406 1.713 -10.264 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -7.827 1.786 -14.183 1.00 0.00 H new ATOM 0 HZ PHE A 26 -8.525 2.964 -12.164 1.00 0.00 H new ATOM 368 N PRO A 27 -11.113 -4.980 -13.670 1.00 0.00 N ATOM 369 CA PRO A 27 -11.191 -6.420 -13.854 1.00 0.00 C ATOM 370 C PRO A 27 -9.918 -6.959 -14.509 1.00 0.00 C ATOM 371 O PRO A 27 -9.586 -8.134 -14.356 1.00 0.00 O ATOM 372 CB PRO A 27 -12.434 -6.641 -14.700 1.00 0.00 C ATOM 373 CG PRO A 27 -12.743 -5.301 -15.346 1.00 0.00 C ATOM 374 CD PRO A 27 -11.927 -4.238 -14.628 1.00 0.00 C ATOM 0 HA PRO A 27 -11.266 -6.961 -12.911 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.261 -7.408 -15.455 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.269 -6.980 -14.086 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.493 -5.322 -16.407 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.808 -5.079 -15.273 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.305 -3.678 -15.326 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.571 -3.517 -14.125 1.00 0.00 H new ATOM 382 N HIS A 28 -9.239 -6.075 -15.225 1.00 0.00 N ATOM 383 CA HIS A 28 -8.010 -6.447 -15.904 1.00 0.00 C ATOM 384 C HIS A 28 -6.850 -6.443 -14.906 1.00 0.00 C ATOM 385 O HIS A 28 -5.985 -7.316 -14.950 1.00 0.00 O ATOM 386 CB HIS A 28 -7.758 -5.539 -17.109 1.00 0.00 C ATOM 387 CG HIS A 28 -8.748 -5.722 -18.234 1.00 0.00 C ATOM 388 ND1 HIS A 28 -8.971 -4.758 -19.201 1.00 0.00 N ATOM 389 CD2 HIS A 28 -9.571 -6.768 -18.536 1.00 0.00 C ATOM 390 CE1 HIS A 28 -9.889 -5.213 -20.042 1.00 0.00 C ATOM 391 NE2 HIS A 28 -10.259 -6.458 -19.628 1.00 0.00 N ATOM 0 H HIS A 28 -9.517 -5.102 -15.350 1.00 0.00 H new ATOM 0 HA HIS A 28 -8.101 -7.459 -16.298 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.785 -4.500 -16.780 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -6.754 -5.727 -17.489 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.649 -7.691 -17.981 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.276 -4.689 -20.904 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.951 -7.054 -20.083 1.00 0.00 H new ATOM 399 N GLY A 29 -6.871 -5.450 -14.029 1.00 0.00 N ATOM 400 CA GLY A 29 -5.832 -5.320 -13.021 1.00 0.00 C ATOM 401 C GLY A 29 -5.352 -3.872 -12.911 1.00 0.00 C ATOM 402 O GLY A 29 -5.739 -3.023 -13.713 1.00 0.00 O ATOM 0 H GLY A 29 -7.591 -4.728 -13.995 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.213 -5.655 -12.056 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.992 -5.967 -13.274 1.00 0.00 H new ATOM 406 N ILE A 30 -4.517 -3.633 -11.910 1.00 0.00 N ATOM 407 CA ILE A 30 -3.981 -2.301 -11.685 1.00 0.00 C ATOM 408 C ILE A 30 -2.460 -2.386 -11.546 1.00 0.00 C ATOM 409 O ILE A 30 -1.925 -3.425 -11.163 1.00 0.00 O ATOM 410 CB ILE A 30 -4.672 -1.641 -10.490 1.00 0.00 C ATOM 411 CG1 ILE A 30 -4.187 -2.248 -9.172 1.00 0.00 C ATOM 412 CG2 ILE A 30 -6.194 -1.712 -10.628 1.00 0.00 C ATOM 413 CD1 ILE A 30 -5.134 -1.892 -8.023 1.00 0.00 C ATOM 0 H ILE A 30 -4.199 -4.339 -11.246 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.188 -1.657 -12.539 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.399 -0.586 -10.478 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.119 -3.331 -9.270 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.184 -1.885 -8.947 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.660 -1.236 -9.765 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.501 -1.196 -11.538 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.506 -2.755 -10.679 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.766 -2.336 -7.098 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.181 -0.809 -7.912 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.130 -2.278 -8.240 1.00 0.00 H new ATOM 425 N THR A 31 -1.806 -1.278 -11.865 1.00 0.00 N ATOM 426 CA THR A 31 -0.357 -1.214 -11.780 1.00 0.00 C ATOM 427 C THR A 31 0.070 -0.326 -10.610 1.00 0.00 C ATOM 428 O THR A 31 -0.652 0.595 -10.229 1.00 0.00 O ATOM 429 CB THR A 31 0.174 -0.734 -13.132 1.00 0.00 C ATOM 430 OG1 THR A 31 -0.438 0.540 -13.314 1.00 0.00 O ATOM 431 CG2 THR A 31 -0.354 -1.571 -14.299 1.00 0.00 C ATOM 0 H THR A 31 -2.253 -0.418 -12.183 1.00 0.00 H new ATOM 0 HA THR A 31 0.071 -2.195 -11.575 1.00 0.00 H new ATOM 0 HB THR A 31 1.264 -0.766 -13.126 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.147 0.924 -14.167 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.053 -1.188 -15.235 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.050 -2.610 -14.169 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.442 -1.512 -14.326 1.00 0.00 H new ATOM 439 N ASP A 32 1.242 -0.632 -10.073 1.00 0.00 N ATOM 440 CA ASP A 32 1.773 0.126 -8.954 1.00 0.00 C ATOM 441 C ASP A 32 1.599 1.621 -9.228 1.00 0.00 C ATOM 442 O ASP A 32 1.464 2.415 -8.298 1.00 0.00 O ATOM 443 CB ASP A 32 3.266 -0.148 -8.762 1.00 0.00 C ATOM 444 CG ASP A 32 3.993 0.840 -7.847 1.00 0.00 C ATOM 445 OD1 ASP A 32 4.448 1.876 -8.378 1.00 0.00 O ATOM 446 OD2 ASP A 32 4.078 0.536 -6.638 1.00 0.00 O ATOM 0 H ASP A 32 1.839 -1.395 -10.393 1.00 0.00 H new ATOM 0 HA ASP A 32 1.232 -0.175 -8.057 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.386 -1.152 -8.356 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.750 -0.139 -9.739 1.00 0.00 H new ATOM 451 N GLN A 33 1.607 1.961 -10.508 1.00 0.00 N ATOM 452 CA GLN A 33 1.451 3.346 -10.917 1.00 0.00 C ATOM 453 C GLN A 33 0.025 3.825 -10.638 1.00 0.00 C ATOM 454 O GLN A 33 -0.174 4.845 -9.980 1.00 0.00 O ATOM 455 CB GLN A 33 1.811 3.527 -12.393 1.00 0.00 C ATOM 456 CG GLN A 33 1.755 5.002 -12.794 1.00 0.00 C ATOM 457 CD GLN A 33 3.163 5.571 -12.989 1.00 0.00 C ATOM 458 OE1 GLN A 33 3.705 6.259 -12.141 1.00 0.00 O ATOM 459 NE2 GLN A 33 3.721 5.246 -14.152 1.00 0.00 N ATOM 0 H GLN A 33 1.719 1.300 -11.277 1.00 0.00 H new ATOM 0 HA GLN A 33 2.139 3.956 -10.332 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.811 3.134 -12.578 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.123 2.952 -13.012 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.184 5.110 -13.716 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.232 5.572 -12.026 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.211 4.666 -14.818 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.659 5.577 -14.378 1.00 0.00 H new ATOM 468 N VAL A 34 -0.931 3.064 -11.151 1.00 0.00 N ATOM 469 CA VAL A 34 -2.333 3.398 -10.966 1.00 0.00 C ATOM 470 C VAL A 34 -2.603 3.640 -9.479 1.00 0.00 C ATOM 471 O VAL A 34 -2.971 4.745 -9.083 1.00 0.00 O ATOM 472 CB VAL A 34 -3.216 2.300 -11.563 1.00 0.00 C ATOM 473 CG1 VAL A 34 -4.694 2.563 -11.268 1.00 0.00 C ATOM 474 CG2 VAL A 34 -2.973 2.158 -13.067 1.00 0.00 C ATOM 0 H VAL A 34 -0.762 2.218 -11.694 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.580 4.318 -11.495 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.943 1.357 -11.089 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.299 1.768 -11.703 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.851 2.589 -10.190 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.987 3.520 -11.700 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.613 1.371 -13.466 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.204 3.100 -13.563 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.929 1.901 -13.244 1.00 0.00 H new ATOM 484 N ILE A 35 -2.410 2.588 -8.697 1.00 0.00 N ATOM 485 CA ILE A 35 -2.628 2.672 -7.263 1.00 0.00 C ATOM 486 C ILE A 35 -1.979 3.950 -6.727 1.00 0.00 C ATOM 487 O ILE A 35 -2.525 4.602 -5.839 1.00 0.00 O ATOM 488 CB ILE A 35 -2.141 1.397 -6.571 1.00 0.00 C ATOM 489 CG1 ILE A 35 -2.982 0.190 -6.990 1.00 0.00 C ATOM 490 CG2 ILE A 35 -2.110 1.576 -5.052 1.00 0.00 C ATOM 491 CD1 ILE A 35 -2.202 -1.113 -6.804 1.00 0.00 C ATOM 0 H ILE A 35 -2.105 1.673 -9.029 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.693 2.739 -7.043 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.118 1.203 -6.893 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.897 0.157 -6.399 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.279 0.294 -8.033 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.760 0.656 -4.584 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.435 2.392 -4.796 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.113 1.808 -4.692 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.823 -1.955 -7.109 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.300 -1.087 -7.415 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.927 -1.226 -5.755 1.00 0.00 H new ATOM 503 N GLN A 36 -0.822 4.268 -7.289 1.00 0.00 N ATOM 504 CA GLN A 36 -0.093 5.456 -6.878 1.00 0.00 C ATOM 505 C GLN A 36 -0.955 6.704 -7.077 1.00 0.00 C ATOM 506 O GLN A 36 -1.099 7.515 -6.164 1.00 0.00 O ATOM 507 CB GLN A 36 1.230 5.577 -7.638 1.00 0.00 C ATOM 508 CG GLN A 36 2.325 6.160 -6.743 1.00 0.00 C ATOM 509 CD GLN A 36 3.683 6.131 -7.448 1.00 0.00 C ATOM 510 OE1 GLN A 36 3.935 6.859 -8.394 1.00 0.00 O ATOM 511 NE2 GLN A 36 4.539 5.252 -6.936 1.00 0.00 N ATOM 0 H GLN A 36 -0.372 3.724 -8.025 1.00 0.00 H new ATOM 0 HA GLN A 36 0.141 5.366 -5.817 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.536 4.596 -8.001 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.094 6.212 -8.513 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.072 7.186 -6.475 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.381 5.592 -5.814 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.263 4.673 -6.143 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.472 5.156 -7.336 1.00 0.00 H new ATOM 520 N ASN A 37 -1.507 6.818 -8.276 1.00 0.00 N ATOM 521 CA ASN A 37 -2.352 7.953 -8.606 1.00 0.00 C ATOM 522 C ASN A 37 -3.591 7.939 -7.709 1.00 0.00 C ATOM 523 O ASN A 37 -4.294 8.943 -7.600 1.00 0.00 O ATOM 524 CB ASN A 37 -2.821 7.886 -10.061 1.00 0.00 C ATOM 525 CG ASN A 37 -2.378 9.128 -10.838 1.00 0.00 C ATOM 526 OD1 ASN A 37 -1.926 10.113 -10.278 1.00 0.00 O ATOM 527 ND2 ASN A 37 -2.532 9.026 -12.155 1.00 0.00 N ATOM 0 H ASN A 37 -1.386 6.143 -9.031 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.769 8.862 -8.456 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.417 6.992 -10.536 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.907 7.801 -10.093 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.265 9.802 -12.761 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.917 8.172 -12.559 1.00 0.00 H new ATOM 534 N GLU A 38 -3.822 6.790 -7.091 1.00 0.00 N ATOM 535 CA GLU A 38 -4.964 6.633 -6.207 1.00 0.00 C ATOM 536 C GLU A 38 -4.563 6.935 -4.762 1.00 0.00 C ATOM 537 O GLU A 38 -5.309 7.583 -4.029 1.00 0.00 O ATOM 538 CB GLU A 38 -5.561 5.229 -6.328 1.00 0.00 C ATOM 539 CG GLU A 38 -6.019 4.949 -7.761 1.00 0.00 C ATOM 540 CD GLU A 38 -7.163 5.882 -8.163 1.00 0.00 C ATOM 541 OE1 GLU A 38 -8.314 5.559 -7.795 1.00 0.00 O ATOM 542 OE2 GLU A 38 -6.862 6.896 -8.829 1.00 0.00 O ATOM 0 H GLU A 38 -3.238 5.959 -7.185 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.732 7.347 -6.507 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.820 4.488 -6.028 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.406 5.129 -5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.181 5.079 -8.446 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.343 3.912 -7.847 1.00 0.00 H new ATOM 549 N MET A 39 -3.385 6.453 -4.395 1.00 0.00 N ATOM 550 CA MET A 39 -2.875 6.663 -3.051 1.00 0.00 C ATOM 551 C MET A 39 -1.356 6.842 -3.062 1.00 0.00 C ATOM 552 O MET A 39 -0.621 5.970 -2.601 1.00 0.00 O ATOM 553 CB MET A 39 -3.242 5.466 -2.172 1.00 0.00 C ATOM 554 CG MET A 39 -4.667 4.989 -2.462 1.00 0.00 C ATOM 555 SD MET A 39 -5.233 3.924 -1.146 1.00 0.00 S ATOM 556 CE MET A 39 -4.617 2.354 -1.732 1.00 0.00 C ATOM 0 H MET A 39 -2.768 5.917 -5.006 1.00 0.00 H new ATOM 0 HA MET A 39 -3.326 7.571 -2.650 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.539 4.652 -2.348 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.154 5.741 -1.121 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.333 5.846 -2.560 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.694 4.454 -3.411 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.790 1.590 -0.975 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.136 2.079 -2.650 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.548 2.433 -1.929 1.00 0.00 H new ATOM 566 N PRO A 40 -0.919 8.009 -3.607 1.00 0.00 N ATOM 567 CA PRO A 40 0.500 8.314 -3.684 1.00 0.00 C ATOM 568 C PRO A 40 1.052 8.707 -2.312 1.00 0.00 C ATOM 569 O PRO A 40 2.238 9.003 -2.178 1.00 0.00 O ATOM 570 CB PRO A 40 0.607 9.430 -4.710 1.00 0.00 C ATOM 571 CG PRO A 40 -0.786 10.026 -4.825 1.00 0.00 C ATOM 572 CD PRO A 40 -1.760 9.065 -4.162 1.00 0.00 C ATOM 0 HA PRO A 40 1.099 7.455 -3.986 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.329 10.183 -4.394 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.948 9.045 -5.671 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.825 11.002 -4.342 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.051 10.177 -5.871 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.338 9.562 -3.383 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.474 8.665 -4.882 1.00 0.00 H new ATOM 580 N HIS A 41 0.164 8.699 -1.328 1.00 0.00 N ATOM 581 CA HIS A 41 0.548 9.051 0.028 1.00 0.00 C ATOM 582 C HIS A 41 0.951 7.788 0.792 1.00 0.00 C ATOM 583 O HIS A 41 1.759 7.850 1.718 1.00 0.00 O ATOM 584 CB HIS A 41 -0.569 9.832 0.723 1.00 0.00 C ATOM 585 CG HIS A 41 -1.894 9.109 0.759 1.00 0.00 C ATOM 586 ND1 HIS A 41 -2.831 9.209 -0.256 1.00 0.00 N ATOM 587 CD2 HIS A 41 -2.429 8.274 1.695 1.00 0.00 C ATOM 588 CE1 HIS A 41 -3.878 8.464 0.067 1.00 0.00 C ATOM 589 NE2 HIS A 41 -3.627 7.886 1.277 1.00 0.00 N ATOM 0 H HIS A 41 -0.820 8.454 -1.443 1.00 0.00 H new ATOM 0 HA HIS A 41 1.415 9.712 0.004 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -0.261 10.055 1.744 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -0.702 10.787 0.214 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -1.957 7.978 2.620 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -4.773 8.337 -0.524 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -4.257 7.259 1.778 1.00 0.00 H new ATOM 597 N ILE A 42 0.371 6.673 0.375 1.00 0.00 N ATOM 598 CA ILE A 42 0.660 5.397 1.009 1.00 0.00 C ATOM 599 C ILE A 42 2.170 5.152 0.986 1.00 0.00 C ATOM 600 O ILE A 42 2.879 5.701 0.144 1.00 0.00 O ATOM 601 CB ILE A 42 -0.155 4.278 0.356 1.00 0.00 C ATOM 602 CG1 ILE A 42 -1.652 4.586 0.412 1.00 0.00 C ATOM 603 CG2 ILE A 42 0.176 2.922 0.983 1.00 0.00 C ATOM 604 CD1 ILE A 42 -2.276 4.040 1.698 1.00 0.00 C ATOM 0 H ILE A 42 -0.298 6.626 -0.394 1.00 0.00 H new ATOM 0 HA ILE A 42 0.355 5.413 2.055 1.00 0.00 H new ATOM 0 HB ILE A 42 0.122 4.222 -0.697 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.808 5.663 0.357 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.150 4.147 -0.453 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.416 2.144 0.501 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.236 2.707 0.847 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.055 2.947 2.048 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.341 4.272 1.713 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.140 2.959 1.738 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.792 4.499 2.560 1.00 0.00 H new ATOM 616 N GLU A 43 2.617 4.327 1.922 1.00 0.00 N ATOM 617 CA GLU A 43 4.030 4.003 2.020 1.00 0.00 C ATOM 618 C GLU A 43 4.384 2.874 1.050 1.00 0.00 C ATOM 619 O GLU A 43 3.506 2.143 0.596 1.00 0.00 O ATOM 620 CB GLU A 43 4.409 3.632 3.455 1.00 0.00 C ATOM 621 CG GLU A 43 4.778 4.877 4.265 1.00 0.00 C ATOM 622 CD GLU A 43 6.165 4.732 4.893 1.00 0.00 C ATOM 623 OE1 GLU A 43 6.318 3.812 5.725 1.00 0.00 O ATOM 624 OE2 GLU A 43 7.042 5.544 4.526 1.00 0.00 O ATOM 0 H GLU A 43 2.026 3.874 2.619 1.00 0.00 H new ATOM 0 HA GLU A 43 4.606 4.887 1.744 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.576 3.117 3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.250 2.938 3.445 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.758 5.755 3.619 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.036 5.039 5.047 1.00 0.00 H new ATOM 631 N ALA A 44 5.673 2.768 0.761 1.00 0.00 N ATOM 632 CA ALA A 44 6.154 1.740 -0.147 1.00 0.00 C ATOM 633 C ALA A 44 5.898 0.363 0.468 1.00 0.00 C ATOM 634 O ALA A 44 5.524 -0.575 -0.236 1.00 0.00 O ATOM 635 CB ALA A 44 7.635 1.978 -0.449 1.00 0.00 C ATOM 0 H ALA A 44 6.399 3.377 1.139 1.00 0.00 H new ATOM 0 HA ALA A 44 5.617 1.783 -1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.996 1.207 -1.130 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.759 2.957 -0.911 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.206 1.939 0.478 1.00 0.00 H new ATOM 641 N GLN A 45 6.110 0.284 1.773 1.00 0.00 N ATOM 642 CA GLN A 45 5.907 -0.964 2.490 1.00 0.00 C ATOM 643 C GLN A 45 4.414 -1.213 2.710 1.00 0.00 C ATOM 644 O GLN A 45 3.936 -2.334 2.544 1.00 0.00 O ATOM 645 CB GLN A 45 6.664 -0.962 3.819 1.00 0.00 C ATOM 646 CG GLN A 45 8.052 -1.587 3.661 1.00 0.00 C ATOM 647 CD GLN A 45 8.997 -1.111 4.766 1.00 0.00 C ATOM 648 OE1 GLN A 45 8.912 -1.522 5.911 1.00 0.00 O ATOM 649 NE2 GLN A 45 9.900 -0.223 4.360 1.00 0.00 N ATOM 0 H GLN A 45 6.420 1.064 2.353 1.00 0.00 H new ATOM 0 HA GLN A 45 6.306 -1.777 1.884 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.761 0.060 4.185 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.095 -1.515 4.566 1.00 0.00 H new ATOM 0 HG2 GLN A 45 7.971 -2.674 3.690 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.464 -1.324 2.687 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.916 0.079 3.386 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.576 0.156 5.023 1.00 0.00 H new ATOM 658 N GLN A 46 3.717 -0.148 3.081 1.00 0.00 N ATOM 659 CA GLN A 46 2.288 -0.237 3.326 1.00 0.00 C ATOM 660 C GLN A 46 1.558 -0.680 2.056 1.00 0.00 C ATOM 661 O GLN A 46 0.642 -1.498 2.115 1.00 0.00 O ATOM 662 CB GLN A 46 1.736 1.094 3.839 1.00 0.00 C ATOM 663 CG GLN A 46 2.355 1.461 5.189 1.00 0.00 C ATOM 664 CD GLN A 46 1.654 0.724 6.332 1.00 0.00 C ATOM 665 OE1 GLN A 46 2.153 -0.246 6.878 1.00 0.00 O ATOM 666 NE2 GLN A 46 0.472 1.237 6.662 1.00 0.00 N ATOM 0 H GLN A 46 4.116 0.781 3.218 1.00 0.00 H new ATOM 0 HA GLN A 46 2.118 -0.986 4.100 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.943 1.881 3.114 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.652 1.029 3.938 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.416 1.211 5.187 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.282 2.537 5.346 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.112 2.051 6.164 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.075 0.816 7.413 1.00 0.00 H new ATOM 675 N ARG A 47 1.993 -0.120 0.936 1.00 0.00 N ATOM 676 CA ARG A 47 1.393 -0.447 -0.346 1.00 0.00 C ATOM 677 C ARG A 47 1.623 -1.923 -0.679 1.00 0.00 C ATOM 678 O ARG A 47 0.698 -2.622 -1.088 1.00 0.00 O ATOM 679 CB ARG A 47 1.978 0.418 -1.464 1.00 0.00 C ATOM 680 CG ARG A 47 0.969 1.472 -1.927 1.00 0.00 C ATOM 681 CD ARG A 47 1.343 2.022 -3.304 1.00 0.00 C ATOM 682 NE ARG A 47 2.292 3.149 -3.158 1.00 0.00 N ATOM 683 CZ ARG A 47 3.619 3.003 -3.043 1.00 0.00 C ATOM 684 NH1 ARG A 47 4.162 1.778 -3.055 1.00 0.00 N ATOM 685 NH2 ARG A 47 4.403 4.082 -2.915 1.00 0.00 N ATOM 0 H ARG A 47 2.754 0.558 0.890 1.00 0.00 H new ATOM 0 HA ARG A 47 0.323 -0.250 -0.271 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.886 0.908 -1.112 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.262 -0.213 -2.306 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.028 1.034 -1.965 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.931 2.287 -1.204 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.791 1.234 -3.910 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.447 2.356 -3.827 1.00 0.00 H new ATOM 0 HE ARG A 47 1.912 4.095 -3.144 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.565 0.957 -3.152 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.172 1.667 -2.967 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.990 5.014 -2.905 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.413 3.971 -2.827 1.00 0.00 H new ATOM 699 N ALA A 48 2.862 -2.352 -0.491 1.00 0.00 N ATOM 700 CA ALA A 48 3.226 -3.732 -0.766 1.00 0.00 C ATOM 701 C ALA A 48 2.553 -4.646 0.260 1.00 0.00 C ATOM 702 O ALA A 48 1.921 -5.636 -0.106 1.00 0.00 O ATOM 703 CB ALA A 48 4.749 -3.870 -0.760 1.00 0.00 C ATOM 0 H ALA A 48 3.627 -1.769 -0.152 1.00 0.00 H new ATOM 0 HA ALA A 48 2.876 -4.032 -1.754 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.021 -4.905 -0.966 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.176 -3.223 -1.526 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.137 -3.581 0.217 1.00 0.00 H new ATOM 709 N VAL A 49 2.712 -4.282 1.524 1.00 0.00 N ATOM 710 CA VAL A 49 2.128 -5.058 2.605 1.00 0.00 C ATOM 711 C VAL A 49 0.724 -5.512 2.200 1.00 0.00 C ATOM 712 O VAL A 49 0.491 -6.700 1.984 1.00 0.00 O ATOM 713 CB VAL A 49 2.143 -4.243 3.900 1.00 0.00 C ATOM 714 CG1 VAL A 49 1.058 -4.726 4.864 1.00 0.00 C ATOM 715 CG2 VAL A 49 3.522 -4.288 4.560 1.00 0.00 C ATOM 0 H VAL A 49 3.237 -3.460 1.824 1.00 0.00 H new ATOM 0 HA VAL A 49 2.717 -5.955 2.794 1.00 0.00 H new ATOM 0 HB VAL A 49 1.927 -3.205 3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.090 -4.130 5.776 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.080 -4.618 4.395 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.229 -5.774 5.109 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.505 -3.701 5.478 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.780 -5.321 4.794 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.265 -3.874 3.878 1.00 0.00 H new ATOM 725 N ALA A 50 -0.174 -4.542 2.111 1.00 0.00 N ATOM 726 CA ALA A 50 -1.548 -4.828 1.736 1.00 0.00 C ATOM 727 C ALA A 50 -1.559 -5.799 0.554 1.00 0.00 C ATOM 728 O ALA A 50 -2.243 -6.821 0.592 1.00 0.00 O ATOM 729 CB ALA A 50 -2.274 -3.518 1.421 1.00 0.00 C ATOM 0 H ALA A 50 0.023 -3.558 2.292 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.079 -5.306 2.559 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.305 -3.732 1.140 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.264 -2.876 2.302 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.771 -3.012 0.597 1.00 0.00 H new ATOM 735 N ILE A 51 -0.793 -5.447 -0.468 1.00 0.00 N ATOM 736 CA ILE A 51 -0.706 -6.275 -1.658 1.00 0.00 C ATOM 737 C ILE A 51 -0.321 -7.700 -1.256 1.00 0.00 C ATOM 738 O ILE A 51 -1.086 -8.638 -1.474 1.00 0.00 O ATOM 739 CB ILE A 51 0.245 -5.646 -2.680 1.00 0.00 C ATOM 740 CG1 ILE A 51 -0.404 -4.441 -3.363 1.00 0.00 C ATOM 741 CG2 ILE A 51 0.728 -6.687 -3.691 1.00 0.00 C ATOM 742 CD1 ILE A 51 0.657 -3.490 -3.921 1.00 0.00 C ATOM 0 H ILE A 51 -0.227 -4.599 -0.496 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.676 -6.334 -2.153 1.00 0.00 H new ATOM 0 HB ILE A 51 1.124 -5.280 -2.150 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.053 -4.782 -4.170 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.034 -3.910 -2.650 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.402 -6.215 -4.406 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.255 -7.485 -3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.128 -7.104 -4.221 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.169 -2.642 -4.401 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.289 -3.132 -3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.270 -4.017 -4.652 1.00 0.00 H new ATOM 754 N ASN A 52 0.864 -7.817 -0.676 1.00 0.00 N ATOM 755 CA ASN A 52 1.360 -9.112 -0.242 1.00 0.00 C ATOM 756 C ASN A 52 0.264 -9.835 0.544 1.00 0.00 C ATOM 757 O ASN A 52 -0.083 -10.973 0.229 1.00 0.00 O ATOM 758 CB ASN A 52 2.575 -8.958 0.675 1.00 0.00 C ATOM 759 CG ASN A 52 3.641 -10.007 0.354 1.00 0.00 C ATOM 760 OD1 ASN A 52 3.362 -11.185 0.196 1.00 0.00 O ATOM 761 ND2 ASN A 52 4.874 -9.517 0.267 1.00 0.00 N ATOM 0 H ASN A 52 1.495 -7.036 -0.496 1.00 0.00 H new ATOM 0 HA ASN A 52 1.647 -9.678 -1.129 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.997 -7.959 0.561 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.265 -9.056 1.715 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.656 -10.138 0.057 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.038 -8.521 0.410 1.00 0.00 H new ATOM 768 N ARG A 53 -0.251 -9.145 1.551 1.00 0.00 N ATOM 769 CA ARG A 53 -1.300 -9.708 2.384 1.00 0.00 C ATOM 770 C ARG A 53 -2.418 -10.285 1.513 1.00 0.00 C ATOM 771 O ARG A 53 -2.707 -11.479 1.579 1.00 0.00 O ATOM 772 CB ARG A 53 -1.888 -8.649 3.319 1.00 0.00 C ATOM 773 CG ARG A 53 -1.499 -8.925 4.773 1.00 0.00 C ATOM 774 CD ARG A 53 -0.330 -8.038 5.205 1.00 0.00 C ATOM 775 NE ARG A 53 0.822 -8.878 5.604 1.00 0.00 N ATOM 776 CZ ARG A 53 0.803 -9.740 6.630 1.00 0.00 C ATOM 777 NH1 ARG A 53 -0.308 -9.881 7.366 1.00 0.00 N ATOM 778 NH2 ARG A 53 1.895 -10.461 6.919 1.00 0.00 N ATOM 0 H ARG A 53 0.038 -8.202 1.809 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.856 -10.502 2.985 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.533 -7.661 3.025 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.974 -8.638 3.225 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.356 -8.746 5.423 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.226 -9.974 4.887 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.043 -7.377 4.387 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.633 -7.403 6.037 1.00 0.00 H new ATOM 0 HE ARG A 53 1.684 -8.796 5.064 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.139 -9.332 7.145 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.323 -10.537 8.147 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.740 -10.354 6.358 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.881 -11.117 7.700 1.00 0.00 H new ATOM 792 N LEU A 54 -3.015 -9.411 0.715 1.00 0.00 N ATOM 793 CA LEU A 54 -4.093 -9.819 -0.168 1.00 0.00 C ATOM 794 C LEU A 54 -3.617 -10.977 -1.047 1.00 0.00 C ATOM 795 O LEU A 54 -4.306 -11.989 -1.175 1.00 0.00 O ATOM 796 CB LEU A 54 -4.619 -8.621 -0.961 1.00 0.00 C ATOM 797 CG LEU A 54 -5.223 -7.483 -0.136 1.00 0.00 C ATOM 798 CD1 LEU A 54 -6.090 -6.573 -1.009 1.00 0.00 C ATOM 799 CD2 LEU A 54 -5.995 -8.028 1.067 1.00 0.00 C ATOM 0 H LEU A 54 -2.772 -8.422 0.662 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.941 -10.186 0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.800 -8.217 -1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.375 -8.977 -1.660 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.408 -6.874 0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.507 -5.773 -0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.481 -6.143 -1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.901 -7.155 -1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.414 -7.198 1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.801 -8.674 0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.320 -8.601 1.703 1.00 0.00 H new ATOM 811 N LEU A 55 -2.442 -10.791 -1.630 1.00 0.00 N ATOM 812 CA LEU A 55 -1.865 -11.808 -2.493 1.00 0.00 C ATOM 813 C LEU A 55 -1.995 -13.176 -1.820 1.00 0.00 C ATOM 814 O LEU A 55 -2.296 -14.170 -2.479 1.00 0.00 O ATOM 815 CB LEU A 55 -0.427 -11.441 -2.866 1.00 0.00 C ATOM 816 CG LEU A 55 -0.266 -10.314 -3.888 1.00 0.00 C ATOM 817 CD1 LEU A 55 1.207 -9.944 -4.069 1.00 0.00 C ATOM 818 CD2 LEU A 55 -0.934 -10.678 -5.216 1.00 0.00 C ATOM 0 H LEU A 55 -1.874 -9.951 -1.522 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.411 -11.862 -3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.102 -11.158 -1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.065 -12.332 -3.257 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.775 -9.430 -3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.293 -9.141 -4.801 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.619 -9.612 -3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.760 -10.815 -4.420 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.805 -9.860 -5.925 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.476 -11.582 -5.618 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.998 -10.852 -5.053 1.00 0.00 H new ATOM 830 N SER A 56 -1.763 -13.183 -0.515 1.00 0.00 N ATOM 831 CA SER A 56 -1.851 -14.412 0.254 1.00 0.00 C ATOM 832 C SER A 56 -3.308 -14.693 0.628 1.00 0.00 C ATOM 833 O SER A 56 -3.866 -15.718 0.241 1.00 0.00 O ATOM 834 CB SER A 56 -0.985 -14.338 1.513 1.00 0.00 C ATOM 835 OG SER A 56 -1.100 -15.512 2.311 1.00 0.00 O ATOM 0 H SER A 56 -1.514 -12.357 0.029 1.00 0.00 H new ATOM 0 HA SER A 56 -1.477 -15.229 -0.364 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.057 -14.194 1.228 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.277 -13.469 2.103 1.00 0.00 H new ATOM 0 HG SER A 56 -0.531 -15.426 3.104 1.00 0.00 H new ATOM 841 N MET A 57 -3.882 -13.763 1.377 1.00 0.00 N ATOM 842 CA MET A 57 -5.263 -13.897 1.808 1.00 0.00 C ATOM 843 C MET A 57 -6.130 -14.490 0.695 1.00 0.00 C ATOM 844 O MET A 57 -7.095 -15.202 0.968 1.00 0.00 O ATOM 845 CB MET A 57 -5.810 -12.524 2.203 1.00 0.00 C ATOM 846 CG MET A 57 -4.956 -11.889 3.303 1.00 0.00 C ATOM 847 SD MET A 57 -5.993 -11.378 4.663 1.00 0.00 S ATOM 848 CE MET A 57 -5.698 -9.617 4.632 1.00 0.00 C ATOM 0 H MET A 57 -3.416 -12.914 1.696 1.00 0.00 H new ATOM 0 HA MET A 57 -5.293 -14.571 2.664 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.829 -11.871 1.330 1.00 0.00 H new ATOM 0 HB3 MET A 57 -6.839 -12.624 2.549 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.209 -12.602 3.652 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.415 -11.031 2.905 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.158 -9.156 5.506 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.625 -9.428 4.644 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.131 -9.191 3.727 1.00 0.00 H new ATOM 858 N GLY A 58 -5.753 -14.176 -0.536 1.00 0.00 N ATOM 859 CA GLY A 58 -6.483 -14.669 -1.691 1.00 0.00 C ATOM 860 C GLY A 58 -7.529 -13.652 -2.154 1.00 0.00 C ATOM 861 O GLY A 58 -8.516 -14.018 -2.790 1.00 0.00 O ATOM 0 H GLY A 58 -4.951 -13.586 -0.758 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.787 -14.876 -2.504 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.972 -15.611 -1.442 1.00 0.00 H new ATOM 865 N GLN A 59 -7.276 -12.396 -1.816 1.00 0.00 N ATOM 866 CA GLN A 59 -8.183 -11.324 -2.189 1.00 0.00 C ATOM 867 C GLN A 59 -7.653 -10.583 -3.418 1.00 0.00 C ATOM 868 O GLN A 59 -8.424 -9.993 -4.172 1.00 0.00 O ATOM 869 CB GLN A 59 -8.404 -10.361 -1.021 1.00 0.00 C ATOM 870 CG GLN A 59 -9.140 -11.053 0.128 1.00 0.00 C ATOM 871 CD GLN A 59 -10.492 -10.387 0.392 1.00 0.00 C ATOM 872 OE1 GLN A 59 -11.455 -10.571 -0.334 1.00 0.00 O ATOM 873 NE2 GLN A 59 -10.510 -9.607 1.469 1.00 0.00 N ATOM 0 H GLN A 59 -6.456 -12.097 -1.288 1.00 0.00 H new ATOM 0 HA GLN A 59 -9.148 -11.763 -2.442 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.444 -9.985 -0.668 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -8.979 -9.499 -1.359 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.290 -12.106 -0.113 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.530 -11.016 1.030 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.667 -9.497 2.033 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.366 -9.119 1.731 1.00 0.00 H new ATOM 882 N LEU A 60 -6.339 -10.639 -3.582 1.00 0.00 N ATOM 883 CA LEU A 60 -5.697 -9.981 -4.706 1.00 0.00 C ATOM 884 C LEU A 60 -4.980 -11.027 -5.563 1.00 0.00 C ATOM 885 O LEU A 60 -4.514 -12.042 -5.049 1.00 0.00 O ATOM 886 CB LEU A 60 -4.782 -8.856 -4.218 1.00 0.00 C ATOM 887 CG LEU A 60 -4.007 -8.103 -5.301 1.00 0.00 C ATOM 888 CD1 LEU A 60 -4.953 -7.555 -6.371 1.00 0.00 C ATOM 889 CD2 LEU A 60 -3.136 -7.004 -4.688 1.00 0.00 C ATOM 0 H LEU A 60 -5.702 -11.130 -2.955 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.442 -9.502 -5.342 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.387 -8.137 -3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.065 -9.278 -3.513 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.337 -8.807 -5.794 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.377 -7.024 -7.129 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.492 -8.380 -6.837 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.665 -6.870 -5.911 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.596 -6.484 -5.479 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.768 -6.295 -4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.423 -7.449 -3.994 1.00 0.00 H new ATOM 901 N ASP A 61 -4.916 -10.743 -6.856 1.00 0.00 N ATOM 902 CA ASP A 61 -4.264 -11.647 -7.789 1.00 0.00 C ATOM 903 C ASP A 61 -3.109 -10.917 -8.476 1.00 0.00 C ATOM 904 O ASP A 61 -3.299 -9.843 -9.045 1.00 0.00 O ATOM 905 CB ASP A 61 -5.238 -12.116 -8.871 1.00 0.00 C ATOM 906 CG ASP A 61 -5.390 -13.634 -8.990 1.00 0.00 C ATOM 907 OD1 ASP A 61 -4.538 -14.337 -8.404 1.00 0.00 O ATOM 908 OD2 ASP A 61 -6.354 -14.057 -9.663 1.00 0.00 O ATOM 0 H ASP A 61 -5.305 -9.900 -7.279 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.905 -12.510 -7.229 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.218 -11.683 -8.670 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.907 -11.723 -9.832 1.00 0.00 H new ATOM 913 N LEU A 62 -1.936 -11.529 -8.402 1.00 0.00 N ATOM 914 CA LEU A 62 -0.750 -10.951 -9.010 1.00 0.00 C ATOM 915 C LEU A 62 -0.647 -11.421 -10.463 1.00 0.00 C ATOM 916 O LEU A 62 -0.665 -12.620 -10.734 1.00 0.00 O ATOM 917 CB LEU A 62 0.490 -11.268 -8.172 1.00 0.00 C ATOM 918 CG LEU A 62 1.493 -10.125 -8.000 1.00 0.00 C ATOM 919 CD1 LEU A 62 2.847 -10.651 -7.519 1.00 0.00 C ATOM 920 CD2 LEU A 62 1.621 -9.309 -9.288 1.00 0.00 C ATOM 0 H LEU A 62 -1.782 -12.420 -7.930 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.823 -9.864 -9.030 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.163 -11.590 -7.183 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.006 -12.113 -8.628 1.00 0.00 H new ATOM 0 HG LEU A 62 1.116 -9.453 -7.229 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.541 -9.818 -7.405 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.722 -11.153 -6.560 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.243 -11.357 -8.249 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.340 -8.503 -9.138 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.964 -9.956 -10.096 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.651 -8.886 -9.549 1.00 0.00 H new ATOM 932 N LEU A 63 -0.541 -10.450 -11.359 1.00 0.00 N ATOM 933 CA LEU A 63 -0.435 -10.749 -12.777 1.00 0.00 C ATOM 934 C LEU A 63 0.793 -10.040 -13.352 1.00 0.00 C ATOM 935 O LEU A 63 0.780 -8.825 -13.541 1.00 0.00 O ATOM 936 CB LEU A 63 -1.740 -10.401 -13.496 1.00 0.00 C ATOM 937 CG LEU A 63 -2.355 -11.516 -14.345 1.00 0.00 C ATOM 938 CD1 LEU A 63 -3.883 -11.474 -14.281 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.840 -11.457 -15.785 1.00 0.00 C ATOM 0 H LEU A 63 -0.526 -9.456 -11.130 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.288 -11.818 -12.932 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.472 -10.094 -12.749 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.559 -9.539 -14.139 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.041 -12.474 -13.930 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.295 -12.277 -14.893 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.208 -11.602 -13.248 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.237 -10.514 -14.656 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.293 -12.260 -16.367 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.104 -10.496 -16.227 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.756 -11.573 -15.789 1.00 0.00 H new ATOM 951 N ARG A 64 1.823 -10.830 -13.615 1.00 0.00 N ATOM 952 CA ARG A 64 3.056 -10.294 -14.165 1.00 0.00 C ATOM 953 C ARG A 64 2.928 -10.112 -15.679 1.00 0.00 C ATOM 954 O ARG A 64 2.918 -11.089 -16.426 1.00 0.00 O ATOM 955 CB ARG A 64 4.240 -11.217 -13.868 1.00 0.00 C ATOM 956 CG ARG A 64 4.463 -11.354 -12.361 1.00 0.00 C ATOM 957 CD ARG A 64 5.771 -12.090 -12.065 1.00 0.00 C ATOM 958 NE ARG A 64 6.320 -11.644 -10.765 1.00 0.00 N ATOM 959 CZ ARG A 64 7.245 -12.319 -10.068 1.00 0.00 C ATOM 960 NH1 ARG A 64 7.729 -13.475 -10.543 1.00 0.00 N ATOM 961 NH2 ARG A 64 7.685 -11.838 -8.897 1.00 0.00 N ATOM 0 H ARG A 64 1.829 -11.838 -13.457 1.00 0.00 H new ATOM 0 HA ARG A 64 3.236 -9.328 -13.693 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.058 -12.200 -14.303 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.141 -10.822 -14.338 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.486 -10.366 -11.902 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.628 -11.894 -11.914 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.596 -13.166 -12.045 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.493 -11.899 -12.859 1.00 0.00 H new ATOM 0 HE ARG A 64 5.973 -10.768 -10.375 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.394 -13.841 -11.434 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.433 -13.989 -10.013 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.316 -10.958 -8.536 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.389 -12.352 -8.367 1.00 0.00 H new ATOM 975 N SER A 65 2.832 -8.855 -16.086 1.00 0.00 N ATOM 976 CA SER A 65 2.704 -8.533 -17.498 1.00 0.00 C ATOM 977 C SER A 65 3.469 -7.246 -17.812 1.00 0.00 C ATOM 978 O SER A 65 3.479 -6.314 -17.010 1.00 0.00 O ATOM 979 CB SER A 65 1.234 -8.389 -17.899 1.00 0.00 C ATOM 980 OG SER A 65 0.842 -9.372 -18.852 1.00 0.00 O ATOM 0 H SER A 65 2.840 -8.047 -15.463 1.00 0.00 H new ATOM 0 HA SER A 65 3.131 -9.352 -18.076 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.606 -8.474 -17.012 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.067 -7.395 -18.314 1.00 0.00 H new ATOM 0 HG SER A 65 -0.103 -9.247 -19.081 1.00 0.00 H new ATOM 986 N ASN A 66 4.091 -7.237 -18.982 1.00 0.00 N ATOM 987 CA ASN A 66 4.857 -6.080 -19.413 1.00 0.00 C ATOM 988 C ASN A 66 5.701 -5.568 -18.243 1.00 0.00 C ATOM 989 O ASN A 66 5.867 -6.263 -17.242 1.00 0.00 O ATOM 990 CB ASN A 66 3.935 -4.945 -19.863 1.00 0.00 C ATOM 991 CG ASN A 66 4.421 -4.333 -21.179 1.00 0.00 C ATOM 992 OD1 ASN A 66 5.591 -4.043 -21.364 1.00 0.00 O ATOM 993 ND2 ASN A 66 3.458 -4.153 -22.079 1.00 0.00 N ATOM 0 H ASN A 66 4.080 -8.012 -19.645 1.00 0.00 H new ATOM 0 HA ASN A 66 5.487 -6.385 -20.248 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.920 -5.323 -19.987 1.00 0.00 H new ATOM 0 HB3 ASN A 66 3.897 -4.175 -19.092 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.680 -3.750 -22.989 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.498 -4.418 -21.859 1.00 0.00 H new ATOM 1000 N THR A 67 6.210 -4.356 -18.409 1.00 0.00 N ATOM 1001 CA THR A 67 7.032 -3.743 -17.379 1.00 0.00 C ATOM 1002 C THR A 67 6.214 -3.519 -16.106 1.00 0.00 C ATOM 1003 O THR A 67 5.294 -2.703 -16.090 1.00 0.00 O ATOM 1004 CB THR A 67 7.626 -2.455 -17.953 1.00 0.00 C ATOM 1005 OG1 THR A 67 8.440 -2.900 -19.035 1.00 0.00 O ATOM 1006 CG2 THR A 67 8.614 -1.787 -16.994 1.00 0.00 C ATOM 0 H THR A 67 6.069 -3.782 -19.241 1.00 0.00 H new ATOM 0 HA THR A 67 7.854 -4.397 -17.089 1.00 0.00 H new ATOM 0 HB THR A 67 6.822 -1.758 -18.189 1.00 0.00 H new ATOM 0 HG1 THR A 67 8.863 -2.128 -19.466 1.00 0.00 H new ATOM 0 HG21 THR A 67 9.006 -0.878 -17.450 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.105 -1.536 -16.064 1.00 0.00 H new ATOM 0 HG23 THR A 67 9.436 -2.471 -16.784 1.00 0.00 H new ATOM 1014 N GLY A 68 6.577 -4.260 -15.069 1.00 0.00 N ATOM 1015 CA GLY A 68 5.888 -4.153 -13.795 1.00 0.00 C ATOM 1016 C GLY A 68 4.790 -5.211 -13.675 1.00 0.00 C ATOM 1017 O GLY A 68 4.276 -5.695 -14.683 1.00 0.00 O ATOM 0 H GLY A 68 7.340 -4.937 -15.086 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.602 -4.271 -12.980 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.452 -3.159 -13.695 1.00 0.00 H new ATOM 1021 N LEU A 69 4.462 -5.540 -12.434 1.00 0.00 N ATOM 1022 CA LEU A 69 3.434 -6.533 -12.169 1.00 0.00 C ATOM 1023 C LEU A 69 2.067 -5.847 -12.132 1.00 0.00 C ATOM 1024 O LEU A 69 1.984 -4.624 -12.026 1.00 0.00 O ATOM 1025 CB LEU A 69 3.762 -7.319 -10.899 1.00 0.00 C ATOM 1026 CG LEU A 69 5.249 -7.470 -10.569 1.00 0.00 C ATOM 1027 CD1 LEU A 69 5.457 -8.454 -9.416 1.00 0.00 C ATOM 1028 CD2 LEU A 69 6.048 -7.867 -11.812 1.00 0.00 C ATOM 0 H LEU A 69 4.890 -5.137 -11.601 1.00 0.00 H new ATOM 0 HA LEU A 69 3.400 -7.270 -12.971 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.271 -6.832 -10.057 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.327 -8.314 -10.989 1.00 0.00 H new ATOM 0 HG LEU A 69 5.626 -6.502 -10.239 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.522 -8.543 -9.201 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.937 -8.091 -8.529 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.060 -9.430 -9.695 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.101 -7.968 -11.551 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.677 -8.818 -12.195 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.936 -7.099 -12.577 1.00 0.00 H new ATOM 1040 N LEU A 70 1.028 -6.664 -12.221 1.00 0.00 N ATOM 1041 CA LEU A 70 -0.332 -6.151 -12.199 1.00 0.00 C ATOM 1042 C LEU A 70 -1.126 -6.870 -11.107 1.00 0.00 C ATOM 1043 O LEU A 70 -0.865 -8.035 -10.809 1.00 0.00 O ATOM 1044 CB LEU A 70 -0.965 -6.253 -13.588 1.00 0.00 C ATOM 1045 CG LEU A 70 -2.492 -6.166 -13.637 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -2.979 -5.850 -15.052 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -3.132 -7.440 -13.081 1.00 0.00 C ATOM 0 H LEU A 70 1.100 -7.678 -12.309 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.335 -5.090 -11.949 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.555 -5.458 -14.211 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.660 -7.199 -14.036 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.807 -5.342 -12.997 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.068 -5.794 -15.058 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.565 -4.895 -15.375 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.652 -6.636 -15.733 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.217 -7.352 -13.127 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.812 -8.297 -13.674 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.823 -7.580 -12.045 1.00 0.00 H new ATOM 1059 N TYR A 71 -2.079 -6.146 -10.539 1.00 0.00 N ATOM 1060 CA TYR A 71 -2.913 -6.700 -9.486 1.00 0.00 C ATOM 1061 C TYR A 71 -4.397 -6.516 -9.807 1.00 0.00 C ATOM 1062 O TYR A 71 -4.857 -5.393 -10.010 1.00 0.00 O ATOM 1063 CB TYR A 71 -2.575 -5.909 -8.220 1.00 0.00 C ATOM 1064 CG TYR A 71 -1.077 -5.684 -8.008 1.00 0.00 C ATOM 1065 CD1 TYR A 71 -0.218 -6.763 -7.948 1.00 0.00 C ATOM 1066 CD2 TYR A 71 -0.583 -4.402 -7.877 1.00 0.00 C ATOM 1067 CE1 TYR A 71 1.192 -6.551 -7.749 1.00 0.00 C ATOM 1068 CE2 TYR A 71 0.827 -4.190 -7.678 1.00 0.00 C ATOM 1069 CZ TYR A 71 1.645 -5.275 -7.623 1.00 0.00 C ATOM 1070 OH TYR A 71 2.977 -5.075 -7.435 1.00 0.00 O ATOM 0 H TYR A 71 -2.292 -5.180 -10.788 1.00 0.00 H new ATOM 0 HA TYR A 71 -2.729 -7.768 -9.373 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -3.075 -4.941 -8.264 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -2.979 -6.437 -7.356 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.604 -7.767 -8.050 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -1.254 -3.557 -7.924 1.00 0.00 H new ATOM 0 HE1 TYR A 71 1.875 -7.387 -7.701 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.226 -3.192 -7.575 1.00 0.00 H new ATOM 0 HH TYR A 71 3.157 -4.114 -7.363 1.00 0.00 H new ATOM 1080 N ARG A 72 -5.105 -7.635 -9.844 1.00 0.00 N ATOM 1081 CA ARG A 72 -6.528 -7.611 -10.138 1.00 0.00 C ATOM 1082 C ARG A 72 -7.305 -8.374 -9.063 1.00 0.00 C ATOM 1083 O ARG A 72 -6.711 -8.930 -8.140 1.00 0.00 O ATOM 1084 CB ARG A 72 -6.819 -8.233 -11.505 1.00 0.00 C ATOM 1085 CG ARG A 72 -7.188 -9.711 -11.368 1.00 0.00 C ATOM 1086 CD ARG A 72 -7.133 -10.418 -12.724 1.00 0.00 C ATOM 1087 NE ARG A 72 -7.712 -11.775 -12.611 1.00 0.00 N ATOM 1088 CZ ARG A 72 -7.463 -12.773 -13.470 1.00 0.00 C ATOM 1089 NH1 ARG A 72 -6.643 -12.571 -14.511 1.00 0.00 N ATOM 1090 NH2 ARG A 72 -8.033 -13.972 -13.289 1.00 0.00 N ATOM 0 H ARG A 72 -4.720 -8.564 -9.675 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.846 -6.569 -10.151 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.635 -7.694 -11.987 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.945 -8.131 -12.148 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.504 -10.197 -10.672 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.189 -9.802 -10.947 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.682 -9.840 -13.467 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.101 -10.482 -13.069 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.340 -11.963 -11.830 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.209 -11.658 -14.649 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.453 -13.330 -15.165 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.657 -14.126 -12.497 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.843 -14.731 -13.943 1.00 0.00 H new ATOM 1104 N ILE A 73 -8.620 -8.376 -9.218 1.00 0.00 N ATOM 1105 CA ILE A 73 -9.484 -9.062 -8.272 1.00 0.00 C ATOM 1106 C ILE A 73 -9.325 -10.574 -8.445 1.00 0.00 C ATOM 1107 O ILE A 73 -9.493 -11.097 -9.545 1.00 0.00 O ATOM 1108 CB ILE A 73 -10.928 -8.576 -8.416 1.00 0.00 C ATOM 1109 CG1 ILE A 73 -11.371 -7.799 -7.174 1.00 0.00 C ATOM 1110 CG2 ILE A 73 -11.870 -9.740 -8.729 1.00 0.00 C ATOM 1111 CD1 ILE A 73 -11.099 -8.601 -5.900 1.00 0.00 C ATOM 0 H ILE A 73 -9.109 -7.914 -9.984 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.192 -8.825 -7.249 1.00 0.00 H new ATOM 0 HB ILE A 73 -10.974 -7.888 -9.260 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.842 -6.847 -7.128 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -12.434 -7.570 -7.244 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.890 -9.367 -8.826 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.566 -10.213 -9.663 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.826 -10.471 -7.921 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -11.423 -8.026 -5.032 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.648 -9.542 -5.938 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -10.032 -8.807 -5.821 1.00 0.00 H new ATOM 1123 N LYS A 74 -9.002 -11.232 -7.342 1.00 0.00 N ATOM 1124 CA LYS A 74 -8.817 -12.674 -7.358 1.00 0.00 C ATOM 1125 C LYS A 74 -10.139 -13.349 -7.729 1.00 0.00 C ATOM 1126 O LYS A 74 -11.206 -12.910 -7.300 1.00 0.00 O ATOM 1127 CB LYS A 74 -8.234 -13.154 -6.027 1.00 0.00 C ATOM 1128 CG LYS A 74 -7.448 -14.453 -6.210 1.00 0.00 C ATOM 1129 CD LYS A 74 -6.298 -14.545 -5.205 1.00 0.00 C ATOM 1130 CE LYS A 74 -6.034 -15.998 -4.805 1.00 0.00 C ATOM 1131 NZ LYS A 74 -4.581 -16.243 -4.669 1.00 0.00 N ATOM 0 H LYS A 74 -8.864 -10.794 -6.431 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.089 -12.956 -8.119 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.582 -12.385 -5.613 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.039 -13.310 -5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.115 -15.306 -6.084 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.054 -14.504 -7.225 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.396 -14.114 -5.639 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.537 -13.958 -4.318 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.536 -16.219 -3.863 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.453 -16.669 -5.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.420 -17.234 -4.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.110 -16.052 -5.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.190 -15.615 -3.938 1.00 0.00 H new ATOM 1145 N ASP A 75 -10.026 -14.404 -8.521 1.00 0.00 N ATOM 1146 CA ASP A 75 -11.199 -15.144 -8.954 1.00 0.00 C ATOM 1147 C ASP A 75 -10.782 -16.557 -9.368 1.00 0.00 C ATOM 1148 O ASP A 75 -11.287 -17.540 -8.828 1.00 0.00 O ATOM 1149 CB ASP A 75 -11.858 -14.474 -10.161 1.00 0.00 C ATOM 1150 CG ASP A 75 -13.384 -14.576 -10.205 1.00 0.00 C ATOM 1151 OD1 ASP A 75 -14.012 -14.110 -9.230 1.00 0.00 O ATOM 1152 OD2 ASP A 75 -13.888 -15.119 -11.212 1.00 0.00 O ATOM 0 H ASP A 75 -9.140 -14.765 -8.875 1.00 0.00 H new ATOM 0 HA ASP A 75 -11.906 -15.170 -8.125 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.579 -13.420 -10.170 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -11.453 -14.918 -11.070 1.00 0.00 H new ATOM 1157 N SER A 76 -9.864 -16.613 -10.321 1.00 0.00 N ATOM 1158 CA SER A 76 -9.373 -17.889 -10.813 1.00 0.00 C ATOM 1159 C SER A 76 -8.521 -18.571 -9.740 1.00 0.00 C ATOM 1160 O SER A 76 -7.303 -18.405 -9.711 1.00 0.00 O ATOM 1161 CB SER A 76 -8.563 -17.710 -12.099 1.00 0.00 C ATOM 1162 OG SER A 76 -8.553 -18.892 -12.893 1.00 0.00 O ATOM 0 H SER A 76 -9.447 -15.795 -10.766 1.00 0.00 H new ATOM 0 HA SER A 76 -10.232 -18.520 -11.042 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.981 -16.887 -12.679 1.00 0.00 H new ATOM 0 HB3 SER A 76 -7.539 -17.434 -11.847 1.00 0.00 H new ATOM 0 HG SER A 76 -8.027 -18.736 -13.705 1.00 0.00 H new ATOM 1168 N GLY A 77 -9.196 -19.324 -8.885 1.00 0.00 N ATOM 1169 CA GLY A 77 -8.517 -20.032 -7.813 1.00 0.00 C ATOM 1170 C GLY A 77 -7.231 -20.689 -8.319 1.00 0.00 C ATOM 1171 O GLY A 77 -7.108 -20.988 -9.505 1.00 0.00 O ATOM 0 H GLY A 77 -10.207 -19.460 -8.912 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.282 -19.338 -7.006 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.179 -20.792 -7.398 1.00 0.00 H new ATOM 1175 N PRO A 78 -6.281 -20.901 -7.368 1.00 0.00 N ATOM 1176 CA PRO A 78 -5.010 -21.518 -7.706 1.00 0.00 C ATOM 1177 C PRO A 78 -5.172 -23.023 -7.928 1.00 0.00 C ATOM 1178 O PRO A 78 -6.268 -23.561 -7.779 1.00 0.00 O ATOM 1179 CB PRO A 78 -4.090 -21.185 -6.542 1.00 0.00 C ATOM 1180 CG PRO A 78 -5.002 -20.797 -5.389 1.00 0.00 C ATOM 1181 CD PRO A 78 -6.393 -20.560 -5.953 1.00 0.00 C ATOM 0 HA PRO A 78 -4.597 -21.144 -8.643 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -3.469 -22.041 -6.278 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.415 -20.368 -6.798 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -5.024 -21.587 -4.638 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -4.632 -19.898 -4.896 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -7.135 -21.183 -5.453 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.704 -19.524 -5.819 1.00 0.00 H new ATOM 1189 N SER A 79 -4.065 -23.659 -8.281 1.00 0.00 N ATOM 1190 CA SER A 79 -4.070 -25.091 -8.526 1.00 0.00 C ATOM 1191 C SER A 79 -4.311 -25.845 -7.216 1.00 0.00 C ATOM 1192 O SER A 79 -3.371 -26.121 -6.473 1.00 0.00 O ATOM 1193 CB SER A 79 -2.757 -25.546 -9.166 1.00 0.00 C ATOM 1194 OG SER A 79 -2.723 -26.955 -9.371 1.00 0.00 O ATOM 0 H SER A 79 -3.158 -23.209 -8.403 1.00 0.00 H new ATOM 0 HA SER A 79 -4.878 -25.316 -9.222 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.624 -25.038 -10.121 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.922 -25.252 -8.529 1.00 0.00 H new ATOM 0 HG SER A 79 -1.870 -27.205 -9.783 1.00 0.00 H new ATOM 1200 N SER A 80 -5.576 -26.156 -6.974 1.00 0.00 N ATOM 1201 CA SER A 80 -5.953 -26.872 -5.767 1.00 0.00 C ATOM 1202 C SER A 80 -5.238 -28.224 -5.716 1.00 0.00 C ATOM 1203 O SER A 80 -4.473 -28.491 -4.790 1.00 0.00 O ATOM 1204 CB SER A 80 -7.468 -27.069 -5.694 1.00 0.00 C ATOM 1205 OG SER A 80 -7.853 -27.829 -4.551 1.00 0.00 O ATOM 0 H SER A 80 -6.353 -25.925 -7.593 1.00 0.00 H new ATOM 0 HA SER A 80 -5.650 -26.275 -4.906 1.00 0.00 H new ATOM 0 HB2 SER A 80 -7.959 -26.096 -5.665 1.00 0.00 H new ATOM 0 HB3 SER A 80 -7.812 -27.573 -6.597 1.00 0.00 H new ATOM 0 HG SER A 80 -8.828 -27.931 -4.539 1.00 0.00 H new ATOM 1211 N GLY A 81 -5.512 -29.040 -6.723 1.00 0.00 N ATOM 1212 CA GLY A 81 -4.905 -30.358 -6.804 1.00 0.00 C ATOM 1213 C GLY A 81 -4.336 -30.613 -8.201 1.00 0.00 C ATOM 1214 O GLY A 81 -4.867 -30.115 -9.192 1.00 0.00 O ATOM 0 H GLY A 81 -6.146 -28.814 -7.490 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.111 -30.443 -6.063 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.647 -31.120 -6.565 1.00 0.00 H new TER 1218 GLY A 81