USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 442 hydrogens (2 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 GLN : amide:sc= 1.04 K(o=2.3,f=-6.8!) USER MOD Set 1.2: A 84 LYS NZ :NH3+ 152:sc= 1.26 (180deg=0) USER MOD Set 2.1: A 57 GLN : amide:sc= 0.121 X(o=0.91,f=0.9) USER MOD Set 2.2: A 58 ASN : amide:sc= 0.78 K(o=0.91,f=-0.071) USER MOD Set 2.3: A 69 TYR OH : rot 180:sc= 0.00765 USER MOD Single : A 40 LYS NZ :NH3+ 162:sc= -0.0305 (180deg=-0.308) USER MOD Single : A 41 THR OG1 : rot 48:sc= -0.173 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -128:sc= 1.25 (180deg=0.583) USER MOD Single : A 52 LYS NZ :NH3+ 166:sc= 0.474 (180deg=-0.104) USER MOD Single : A 53 LYS NZ :NH3+ 140:sc= 1.26 (180deg=0.759) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0272 USER MOD Single : A 64 LYS NZ :NH3+ 174:sc= 0.317 (180deg=0.143) USER MOD Single : A 68 ASN : amide:sc= 0.978 K(o=0.98,f=0) USER MOD Single : A 72 ASN : amide:sc= 0.736 K(o=0.74,f=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00253 USER MOD Single : A 77 GLN : amide:sc= -0.174 K(o=-0.17,f=-1.1!) USER MOD Single : A 78 CYS SG : rot 76:sc= -0.12 USER MOD Single : A 80 HIS : no HD1:sc= -0.099 X(o=-0.099,f=0) USER MOD Single : A 83 GLN : amide:sc= -0.0739 K(o=-0.074,f=-1.1!) USER MOD Single : A 87 ASN : amide:sc= 0.261 X(o=0.26,f=-0.022) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 38 8.352 -6.810 -2.219 1.00 0.00 N ATOM 2 CA LEU A 38 7.615 -7.738 -3.098 1.00 0.00 C ATOM 3 C LEU A 38 8.290 -7.803 -4.465 1.00 0.00 C ATOM 4 O LEU A 38 9.139 -6.970 -4.774 1.00 0.00 O ATOM 5 CB LEU A 38 6.150 -7.298 -3.252 1.00 0.00 C ATOM 6 CG LEU A 38 5.467 -7.168 -1.878 1.00 0.00 C ATOM 7 CD1 LEU A 38 4.018 -6.718 -2.078 1.00 0.00 C ATOM 8 CD2 LEU A 38 5.482 -8.515 -1.147 1.00 0.00 C ATOM 0 HA LEU A 38 7.628 -8.729 -2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.106 -6.343 -3.776 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.611 -8.022 -3.863 1.00 0.00 H new ATOM 0 HG LEU A 38 6.008 -6.435 -1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.529 -6.624 -1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.003 -5.754 -2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.488 -7.455 -2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.996 -8.408 -0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.948 -9.257 -1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.513 -8.839 -1.002 1.00 0.00 H new ATOM 22 N GLY A 39 7.912 -8.797 -5.279 1.00 0.00 N ATOM 23 CA GLY A 39 8.486 -8.970 -6.604 1.00 0.00 C ATOM 24 C GLY A 39 9.965 -9.323 -6.490 1.00 0.00 C ATOM 25 O GLY A 39 10.821 -8.572 -6.954 1.00 0.00 O ATOM 0 H GLY A 39 7.207 -9.493 -5.034 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.956 -9.758 -7.139 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.366 -8.055 -7.184 1.00 0.00 H new ATOM 29 N LYS A 40 10.262 -10.469 -5.868 1.00 0.00 N ATOM 30 CA LYS A 40 11.635 -10.913 -5.691 1.00 0.00 C ATOM 31 C LYS A 40 12.269 -11.206 -7.051 1.00 0.00 C ATOM 32 O LYS A 40 11.571 -11.570 -8.000 1.00 0.00 O ATOM 33 CB LYS A 40 11.664 -12.157 -4.789 1.00 0.00 C ATOM 34 CG LYS A 40 11.074 -13.368 -5.527 1.00 0.00 C ATOM 35 CD LYS A 40 11.091 -14.589 -4.603 1.00 0.00 C ATOM 36 CE LYS A 40 10.642 -15.835 -5.376 1.00 0.00 C ATOM 37 NZ LYS A 40 11.629 -16.212 -6.408 1.00 0.00 N ATOM 0 H LYS A 40 9.563 -11.102 -5.480 1.00 0.00 H new ATOM 0 HA LYS A 40 12.214 -10.125 -5.210 1.00 0.00 H new ATOM 0 HB2 LYS A 40 12.689 -12.371 -4.487 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.097 -11.967 -3.878 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.053 -13.152 -5.843 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.650 -13.574 -6.429 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.094 -14.740 -4.204 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.431 -14.421 -3.752 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.503 -16.665 -4.683 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.676 -15.646 -5.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.467 -17.197 -6.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.526 -15.586 -7.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.589 -16.119 -6.020 1.00 0.00 H new ATOM 51 N THR A 41 13.599 -11.049 -7.130 1.00 0.00 N ATOM 52 CA THR A 41 14.365 -11.302 -8.349 1.00 0.00 C ATOM 53 C THR A 41 13.654 -10.719 -9.578 1.00 0.00 C ATOM 54 O THR A 41 13.473 -11.411 -10.580 1.00 0.00 O ATOM 55 CB THR A 41 14.609 -12.816 -8.508 1.00 0.00 C ATOM 56 OG1 THR A 41 13.387 -13.522 -8.430 1.00 0.00 O ATOM 57 CG2 THR A 41 15.545 -13.307 -7.401 1.00 0.00 C ATOM 0 H THR A 41 14.171 -10.741 -6.344 1.00 0.00 H new ATOM 0 HA THR A 41 15.330 -10.802 -8.268 1.00 0.00 H new ATOM 0 HB THR A 41 15.064 -12.995 -9.482 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.723 -13.092 -9.009 1.00 0.00 H new ATOM 0 HG21 THR A 41 15.715 -14.377 -7.517 1.00 0.00 H new ATOM 0 HG22 THR A 41 16.496 -12.779 -7.468 1.00 0.00 H new ATOM 0 HG23 THR A 41 15.091 -13.115 -6.429 1.00 0.00 H new ATOM 65 N ARG A 42 13.265 -9.439 -9.503 1.00 0.00 N ATOM 66 CA ARG A 42 12.620 -8.762 -10.617 1.00 0.00 C ATOM 67 C ARG A 42 13.693 -8.343 -11.620 1.00 0.00 C ATOM 68 O ARG A 42 14.411 -7.368 -11.392 1.00 0.00 O ATOM 69 CB ARG A 42 11.842 -7.548 -10.091 1.00 0.00 C ATOM 70 CG ARG A 42 11.153 -6.793 -11.244 1.00 0.00 C ATOM 71 CD ARG A 42 9.998 -7.621 -11.825 1.00 0.00 C ATOM 72 NE ARG A 42 8.981 -7.905 -10.803 1.00 0.00 N ATOM 73 CZ ARG A 42 7.911 -8.687 -11.029 1.00 0.00 C ATOM 74 NH1 ARG A 42 7.742 -9.269 -12.224 1.00 0.00 N ATOM 75 NH2 ARG A 42 7.011 -8.884 -10.056 1.00 0.00 N ATOM 0 H ARG A 42 13.390 -8.856 -8.675 1.00 0.00 H new ATOM 0 HA ARG A 42 11.914 -9.425 -11.117 1.00 0.00 H new ATOM 0 HB2 ARG A 42 11.095 -7.876 -9.368 1.00 0.00 H new ATOM 0 HB3 ARG A 42 12.521 -6.876 -9.566 1.00 0.00 H new ATOM 0 HG2 ARG A 42 10.775 -5.836 -10.884 1.00 0.00 H new ATOM 0 HG3 ARG A 42 11.879 -6.574 -12.027 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.542 -7.082 -12.655 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.385 -8.557 -12.227 1.00 0.00 H new ATOM 0 HE ARG A 42 9.092 -7.489 -9.878 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.426 -9.119 -12.965 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.929 -9.862 -12.392 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.138 -8.441 -9.146 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.198 -9.477 -10.225 1.00 0.00 H new ATOM 89 N TRP A 43 13.807 -9.089 -12.724 1.00 0.00 N ATOM 90 CA TRP A 43 14.809 -8.819 -13.744 1.00 0.00 C ATOM 91 C TRP A 43 14.209 -8.975 -15.138 1.00 0.00 C ATOM 92 O TRP A 43 13.126 -9.540 -15.295 1.00 0.00 O ATOM 93 CB TRP A 43 15.988 -9.779 -13.558 1.00 0.00 C ATOM 94 CG TRP A 43 16.946 -9.402 -12.470 1.00 0.00 C ATOM 95 CD1 TRP A 43 16.714 -9.498 -11.151 1.00 0.00 C ATOM 96 CD2 TRP A 43 18.300 -8.870 -12.583 1.00 0.00 C ATOM 97 NE1 TRP A 43 17.796 -9.070 -10.426 1.00 0.00 N ATOM 98 CE2 TRP A 43 18.817 -8.668 -11.263 1.00 0.00 C ATOM 99 CE3 TRP A 43 19.150 -8.537 -13.660 1.00 0.00 C ATOM 100 CZ2 TRP A 43 20.098 -8.164 -11.030 1.00 0.00 C ATOM 101 CZ3 TRP A 43 20.445 -8.024 -13.428 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.916 -7.840 -12.117 1.00 0.00 C ATOM 0 H TRP A 43 13.209 -9.890 -12.929 1.00 0.00 H new ATOM 0 HA TRP A 43 15.160 -7.792 -13.641 1.00 0.00 H new ATOM 0 HB2 TRP A 43 15.597 -10.774 -13.348 1.00 0.00 H new ATOM 0 HB3 TRP A 43 16.536 -9.844 -14.498 1.00 0.00 H new ATOM 0 HD1 TRP A 43 15.795 -9.864 -10.718 1.00 0.00 H new ATOM 0 HE1 TRP A 43 17.840 -9.051 -9.407 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.805 -8.676 -14.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 20.454 -8.026 -10.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 21.079 -7.771 -14.265 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.909 -7.449 -11.949 1.00 0.00 H new ATOM 113 N THR A 44 14.931 -8.466 -16.145 1.00 0.00 N ATOM 114 CA THR A 44 14.514 -8.536 -17.538 1.00 0.00 C ATOM 115 C THR A 44 15.663 -9.098 -18.372 1.00 0.00 C ATOM 116 O THR A 44 16.825 -8.960 -17.994 1.00 0.00 O ATOM 117 CB THR A 44 14.127 -7.135 -18.025 1.00 0.00 C ATOM 118 OG1 THR A 44 15.164 -6.225 -17.720 1.00 0.00 O ATOM 119 CG2 THR A 44 12.838 -6.682 -17.337 1.00 0.00 C ATOM 0 H THR A 44 15.824 -7.993 -16.008 1.00 0.00 H new ATOM 0 HA THR A 44 13.648 -9.190 -17.640 1.00 0.00 H new ATOM 0 HB THR A 44 13.969 -7.164 -19.103 1.00 0.00 H new ATOM 0 HG1 THR A 44 14.916 -5.330 -18.033 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.569 -5.686 -17.688 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.035 -7.379 -17.574 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.991 -6.658 -16.258 1.00 0.00 H new ATOM 127 N ARG A 45 15.330 -9.732 -19.506 1.00 0.00 N ATOM 128 CA ARG A 45 16.319 -10.347 -20.389 1.00 0.00 C ATOM 129 C ARG A 45 17.492 -9.398 -20.661 1.00 0.00 C ATOM 130 O ARG A 45 18.643 -9.827 -20.657 1.00 0.00 O ATOM 131 CB ARG A 45 15.633 -10.748 -21.701 1.00 0.00 C ATOM 132 CG ARG A 45 16.604 -11.558 -22.569 1.00 0.00 C ATOM 133 CD ARG A 45 15.876 -12.093 -23.806 1.00 0.00 C ATOM 134 NE ARG A 45 15.478 -10.998 -24.701 1.00 0.00 N ATOM 135 CZ ARG A 45 14.771 -11.192 -25.829 1.00 0.00 C ATOM 136 NH1 ARG A 45 14.400 -12.429 -26.188 1.00 0.00 N ATOM 137 NH2 ARG A 45 14.438 -10.146 -26.597 1.00 0.00 N ATOM 0 H ARG A 45 14.368 -9.830 -19.832 1.00 0.00 H new ATOM 0 HA ARG A 45 16.727 -11.232 -19.901 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.741 -11.338 -21.490 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.307 -9.858 -22.238 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.443 -10.932 -22.873 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.016 -12.386 -21.993 1.00 0.00 H new ATOM 0 HD2 ARG A 45 16.524 -12.787 -24.341 1.00 0.00 H new ATOM 0 HD3 ARG A 45 14.994 -12.654 -23.498 1.00 0.00 H new ATOM 0 HE ARG A 45 15.750 -10.046 -24.456 1.00 0.00 H new ATOM 0 HH11 ARG A 45 14.654 -13.227 -25.605 1.00 0.00 H new ATOM 0 HH12 ARG A 45 13.864 -12.572 -27.044 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.721 -9.204 -26.326 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.902 -10.292 -27.453 1.00 0.00 H new ATOM 151 N GLU A 46 17.198 -8.114 -20.905 1.00 0.00 N ATOM 152 CA GLU A 46 18.229 -7.129 -21.203 1.00 0.00 C ATOM 153 C GLU A 46 19.256 -7.061 -20.067 1.00 0.00 C ATOM 154 O GLU A 46 20.440 -7.320 -20.282 1.00 0.00 O ATOM 155 CB GLU A 46 17.574 -5.759 -21.420 1.00 0.00 C ATOM 156 CG GLU A 46 18.602 -4.776 -21.997 1.00 0.00 C ATOM 157 CD GLU A 46 18.338 -3.357 -21.508 1.00 0.00 C ATOM 158 OE1 GLU A 46 17.191 -2.900 -21.687 1.00 0.00 O ATOM 159 OE2 GLU A 46 19.292 -2.757 -20.961 1.00 0.00 O ATOM 0 H GLU A 46 16.249 -7.739 -20.900 1.00 0.00 H new ATOM 0 HA GLU A 46 18.754 -7.424 -22.111 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.727 -5.854 -22.100 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.184 -5.379 -20.476 1.00 0.00 H new ATOM 0 HG2 GLU A 46 19.607 -5.083 -21.706 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.563 -4.802 -23.086 1.00 0.00 H new ATOM 166 N GLU A 47 18.802 -6.701 -18.860 1.00 0.00 N ATOM 167 CA GLU A 47 19.690 -6.554 -17.716 1.00 0.00 C ATOM 168 C GLU A 47 20.357 -7.892 -17.382 1.00 0.00 C ATOM 169 O GLU A 47 21.510 -7.914 -16.965 1.00 0.00 O ATOM 170 CB GLU A 47 18.908 -5.997 -16.518 1.00 0.00 C ATOM 171 CG GLU A 47 19.514 -4.651 -16.103 1.00 0.00 C ATOM 172 CD GLU A 47 18.739 -4.028 -14.950 1.00 0.00 C ATOM 173 OE1 GLU A 47 17.517 -3.818 -15.130 1.00 0.00 O ATOM 174 OE2 GLU A 47 19.379 -3.771 -13.909 1.00 0.00 O ATOM 0 H GLU A 47 17.821 -6.507 -18.657 1.00 0.00 H new ATOM 0 HA GLU A 47 20.482 -5.846 -17.962 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.858 -5.871 -16.781 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.946 -6.699 -15.685 1.00 0.00 H new ATOM 0 HG2 GLU A 47 20.554 -4.793 -15.810 1.00 0.00 H new ATOM 0 HG3 GLU A 47 19.512 -3.971 -16.955 1.00 0.00 H new ATOM 181 N ASP A 48 19.638 -9.007 -17.574 1.00 0.00 N ATOM 182 CA ASP A 48 20.192 -10.331 -17.317 1.00 0.00 C ATOM 183 C ASP A 48 21.363 -10.593 -18.266 1.00 0.00 C ATOM 184 O ASP A 48 22.377 -11.158 -17.856 1.00 0.00 O ATOM 185 CB ASP A 48 19.103 -11.397 -17.500 1.00 0.00 C ATOM 186 CG ASP A 48 18.203 -11.494 -16.272 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.761 -11.551 -15.155 1.00 0.00 O ATOM 188 OD2 ASP A 48 16.970 -11.522 -16.469 1.00 0.00 O ATOM 0 H ASP A 48 18.674 -9.012 -17.906 1.00 0.00 H new ATOM 0 HA ASP A 48 20.555 -10.378 -16.290 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.500 -11.156 -18.376 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.568 -12.365 -17.689 1.00 0.00 H new ATOM 193 N GLU A 49 21.227 -10.187 -19.534 1.00 0.00 N ATOM 194 CA GLU A 49 22.288 -10.362 -20.514 1.00 0.00 C ATOM 195 C GLU A 49 23.478 -9.490 -20.121 1.00 0.00 C ATOM 196 O GLU A 49 24.622 -9.946 -20.134 1.00 0.00 O ATOM 197 CB GLU A 49 21.771 -9.982 -21.905 1.00 0.00 C ATOM 198 CG GLU A 49 22.802 -10.381 -22.966 1.00 0.00 C ATOM 199 CD GLU A 49 22.506 -9.694 -24.291 1.00 0.00 C ATOM 200 OE1 GLU A 49 21.694 -10.255 -25.053 1.00 0.00 O ATOM 201 OE2 GLU A 49 23.103 -8.616 -24.514 1.00 0.00 O ATOM 0 H GLU A 49 20.389 -9.735 -19.899 1.00 0.00 H new ATOM 0 HA GLU A 49 22.607 -11.404 -20.539 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.822 -10.482 -22.100 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.582 -8.910 -21.953 1.00 0.00 H new ATOM 0 HG2 GLU A 49 23.802 -10.112 -22.627 1.00 0.00 H new ATOM 0 HG3 GLU A 49 22.792 -11.463 -23.101 1.00 0.00 H new ATOM 208 N LYS A 50 23.201 -8.232 -19.767 1.00 0.00 N ATOM 209 CA LYS A 50 24.236 -7.301 -19.359 1.00 0.00 C ATOM 210 C LYS A 50 24.958 -7.837 -18.120 1.00 0.00 C ATOM 211 O LYS A 50 26.166 -7.673 -17.999 1.00 0.00 O ATOM 212 CB LYS A 50 23.609 -5.929 -19.093 1.00 0.00 C ATOM 213 CG LYS A 50 23.254 -5.263 -20.432 1.00 0.00 C ATOM 214 CD LYS A 50 22.031 -4.352 -20.272 1.00 0.00 C ATOM 215 CE LYS A 50 22.374 -3.143 -19.398 1.00 0.00 C ATOM 216 NZ LYS A 50 21.161 -2.366 -19.085 1.00 0.00 N ATOM 0 H LYS A 50 22.259 -7.841 -19.758 1.00 0.00 H new ATOM 0 HA LYS A 50 24.974 -7.192 -20.154 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.714 -6.038 -18.480 1.00 0.00 H new ATOM 0 HB3 LYS A 50 24.304 -5.301 -18.535 1.00 0.00 H new ATOM 0 HG2 LYS A 50 24.103 -4.682 -20.792 1.00 0.00 H new ATOM 0 HG3 LYS A 50 23.050 -6.027 -21.182 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.690 -4.015 -21.251 1.00 0.00 H new ATOM 0 HD3 LYS A 50 21.210 -4.911 -19.824 1.00 0.00 H new ATOM 0 HE2 LYS A 50 22.846 -3.478 -18.474 1.00 0.00 H new ATOM 0 HE3 LYS A 50 23.096 -2.509 -19.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.317 -1.366 -19.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.361 -2.734 -19.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.948 -2.449 -18.070 1.00 0.00 H new ATOM 230 N LEU A 51 24.221 -8.487 -17.205 1.00 0.00 N ATOM 231 CA LEU A 51 24.819 -9.050 -16.001 1.00 0.00 C ATOM 232 C LEU A 51 25.862 -10.098 -16.389 1.00 0.00 C ATOM 233 O LEU A 51 26.957 -10.098 -15.844 1.00 0.00 O ATOM 234 CB LEU A 51 23.730 -9.658 -15.104 1.00 0.00 C ATOM 235 CG LEU A 51 24.351 -10.211 -13.805 1.00 0.00 C ATOM 236 CD1 LEU A 51 25.028 -9.085 -13.018 1.00 0.00 C ATOM 237 CD2 LEU A 51 23.255 -10.835 -12.938 1.00 0.00 C ATOM 0 H LEU A 51 23.214 -8.631 -17.283 1.00 0.00 H new ATOM 0 HA LEU A 51 25.315 -8.260 -15.437 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.983 -8.901 -14.864 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.215 -10.457 -15.637 1.00 0.00 H new ATOM 0 HG LEU A 51 25.094 -10.964 -14.067 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.462 -9.490 -12.104 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.815 -8.638 -13.626 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.290 -8.324 -12.763 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.695 -11.225 -12.020 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.512 -10.077 -12.690 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.777 -11.647 -13.485 1.00 0.00 H new ATOM 249 N LYS A 52 25.524 -10.988 -17.337 1.00 0.00 N ATOM 250 CA LYS A 52 26.458 -12.015 -17.799 1.00 0.00 C ATOM 251 C LYS A 52 27.768 -11.357 -18.238 1.00 0.00 C ATOM 252 O LYS A 52 28.848 -11.764 -17.812 1.00 0.00 O ATOM 253 CB LYS A 52 25.841 -12.793 -18.981 1.00 0.00 C ATOM 254 CG LYS A 52 25.442 -14.213 -18.552 1.00 0.00 C ATOM 255 CD LYS A 52 24.051 -14.196 -17.909 1.00 0.00 C ATOM 256 CE LYS A 52 22.976 -14.228 -19.001 1.00 0.00 C ATOM 257 NZ LYS A 52 21.668 -13.826 -18.461 1.00 0.00 N ATOM 0 H LYS A 52 24.612 -11.013 -17.794 1.00 0.00 H new ATOM 0 HA LYS A 52 26.659 -12.710 -16.984 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.965 -12.262 -19.354 1.00 0.00 H new ATOM 0 HB3 LYS A 52 26.557 -12.844 -19.802 1.00 0.00 H new ATOM 0 HG2 LYS A 52 25.444 -14.877 -19.417 1.00 0.00 H new ATOM 0 HG3 LYS A 52 26.173 -14.607 -17.846 1.00 0.00 H new ATOM 0 HD2 LYS A 52 23.936 -15.054 -17.247 1.00 0.00 H new ATOM 0 HD3 LYS A 52 23.934 -13.302 -17.296 1.00 0.00 H new ATOM 0 HE2 LYS A 52 23.259 -13.561 -19.815 1.00 0.00 H new ATOM 0 HE3 LYS A 52 22.908 -15.232 -19.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 21.015 -13.625 -19.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 21.282 -14.596 -17.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 21.781 -12.972 -17.878 1.00 0.00 H new ATOM 271 N LYS A 53 27.658 -10.341 -19.099 1.00 0.00 N ATOM 272 CA LYS A 53 28.815 -9.638 -19.632 1.00 0.00 C ATOM 273 C LYS A 53 29.601 -8.953 -18.508 1.00 0.00 C ATOM 274 O LYS A 53 30.827 -9.021 -18.484 1.00 0.00 O ATOM 275 CB LYS A 53 28.338 -8.616 -20.670 1.00 0.00 C ATOM 276 CG LYS A 53 27.791 -9.351 -21.901 1.00 0.00 C ATOM 277 CD LYS A 53 27.007 -8.377 -22.784 1.00 0.00 C ATOM 278 CE LYS A 53 26.609 -9.077 -24.088 1.00 0.00 C ATOM 279 NZ LYS A 53 25.704 -8.236 -24.892 1.00 0.00 N ATOM 0 H LYS A 53 26.764 -9.988 -19.442 1.00 0.00 H new ATOM 0 HA LYS A 53 29.487 -10.351 -20.110 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.564 -7.980 -20.240 1.00 0.00 H new ATOM 0 HB3 LYS A 53 29.162 -7.964 -20.959 1.00 0.00 H new ATOM 0 HG2 LYS A 53 28.612 -9.789 -22.468 1.00 0.00 H new ATOM 0 HG3 LYS A 53 27.146 -10.172 -21.588 1.00 0.00 H new ATOM 0 HD2 LYS A 53 26.117 -8.029 -22.259 1.00 0.00 H new ATOM 0 HD3 LYS A 53 27.613 -7.498 -23.001 1.00 0.00 H new ATOM 0 HE2 LYS A 53 27.503 -9.309 -24.666 1.00 0.00 H new ATOM 0 HE3 LYS A 53 26.122 -10.025 -23.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 25.958 -8.315 -25.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 24.723 -8.554 -24.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 25.792 -7.245 -24.590 1.00 0.00 H new ATOM 293 N LEU A 54 28.898 -8.292 -17.582 1.00 0.00 N ATOM 294 CA LEU A 54 29.540 -7.585 -16.479 1.00 0.00 C ATOM 295 C LEU A 54 30.266 -8.567 -15.559 1.00 0.00 C ATOM 296 O LEU A 54 31.353 -8.264 -15.073 1.00 0.00 O ATOM 297 CB LEU A 54 28.488 -6.791 -15.698 1.00 0.00 C ATOM 298 CG LEU A 54 28.030 -5.570 -16.511 1.00 0.00 C ATOM 299 CD1 LEU A 54 26.740 -5.015 -15.906 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.112 -4.486 -16.482 1.00 0.00 C ATOM 0 H LEU A 54 27.880 -8.235 -17.579 1.00 0.00 H new ATOM 0 HA LEU A 54 30.280 -6.894 -16.883 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.633 -7.429 -15.474 1.00 0.00 H new ATOM 0 HB3 LEU A 54 28.902 -6.466 -14.743 1.00 0.00 H new ATOM 0 HG LEU A 54 27.854 -5.872 -17.543 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.412 -4.149 -16.480 1.00 0.00 H new ATOM 0 HD12 LEU A 54 25.966 -5.782 -15.933 1.00 0.00 H new ATOM 0 HD13 LEU A 54 26.921 -4.718 -14.873 1.00 0.00 H new ATOM 0 HD21 LEU A 54 28.779 -3.624 -17.061 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.295 -4.182 -15.451 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.033 -4.879 -16.913 1.00 0.00 H new ATOM 312 N VAL A 55 29.671 -9.740 -15.320 1.00 0.00 N ATOM 313 CA VAL A 55 30.280 -10.755 -14.473 1.00 0.00 C ATOM 314 C VAL A 55 31.558 -11.265 -15.138 1.00 0.00 C ATOM 315 O VAL A 55 32.578 -11.428 -14.475 1.00 0.00 O ATOM 316 CB VAL A 55 29.276 -11.897 -14.236 1.00 0.00 C ATOM 317 CG1 VAL A 55 30.001 -13.135 -13.699 1.00 0.00 C ATOM 318 CG2 VAL A 55 28.226 -11.451 -13.214 1.00 0.00 C ATOM 0 H VAL A 55 28.765 -10.005 -15.706 1.00 0.00 H new ATOM 0 HA VAL A 55 30.543 -10.330 -13.504 1.00 0.00 H new ATOM 0 HB VAL A 55 28.794 -12.144 -15.182 1.00 0.00 H new ATOM 0 HG11 VAL A 55 29.280 -13.936 -13.535 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.748 -13.461 -14.422 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.491 -12.890 -12.757 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.515 -12.260 -13.046 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.717 -11.199 -12.274 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.698 -10.576 -13.593 1.00 0.00 H new ATOM 328 N GLU A 56 31.498 -11.511 -16.451 1.00 0.00 N ATOM 329 CA GLU A 56 32.650 -11.987 -17.200 1.00 0.00 C ATOM 330 C GLU A 56 33.758 -10.926 -17.186 1.00 0.00 C ATOM 331 O GLU A 56 34.929 -11.250 -17.006 1.00 0.00 O ATOM 332 CB GLU A 56 32.212 -12.304 -18.637 1.00 0.00 C ATOM 333 CG GLU A 56 33.286 -13.135 -19.348 1.00 0.00 C ATOM 334 CD GLU A 56 33.351 -14.549 -18.781 1.00 0.00 C ATOM 335 OE1 GLU A 56 32.355 -15.281 -18.966 1.00 0.00 O ATOM 336 OE2 GLU A 56 34.395 -14.871 -18.174 1.00 0.00 O ATOM 0 H GLU A 56 30.656 -11.385 -17.013 1.00 0.00 H new ATOM 0 HA GLU A 56 33.046 -12.893 -16.741 1.00 0.00 H new ATOM 0 HB2 GLU A 56 31.269 -12.850 -18.625 1.00 0.00 H new ATOM 0 HB3 GLU A 56 32.037 -11.378 -19.184 1.00 0.00 H new ATOM 0 HG2 GLU A 56 33.070 -13.178 -20.415 1.00 0.00 H new ATOM 0 HG3 GLU A 56 34.256 -12.651 -19.238 1.00 0.00 H new ATOM 343 N GLN A 57 33.375 -9.656 -17.379 1.00 0.00 N ATOM 344 CA GLN A 57 34.321 -8.550 -17.410 1.00 0.00 C ATOM 345 C GLN A 57 34.993 -8.374 -16.049 1.00 0.00 C ATOM 346 O GLN A 57 36.213 -8.477 -15.938 1.00 0.00 O ATOM 347 CB GLN A 57 33.574 -7.265 -17.802 1.00 0.00 C ATOM 348 CG GLN A 57 34.562 -6.100 -17.938 1.00 0.00 C ATOM 349 CD GLN A 57 33.824 -4.769 -18.045 1.00 0.00 C ATOM 350 OE1 GLN A 57 33.347 -4.406 -19.115 1.00 0.00 O ATOM 351 NE2 GLN A 57 33.731 -4.040 -16.929 1.00 0.00 N ATOM 0 H GLN A 57 32.404 -9.375 -17.517 1.00 0.00 H new ATOM 0 HA GLN A 57 35.098 -8.764 -18.144 1.00 0.00 H new ATOM 0 HB2 GLN A 57 33.046 -7.415 -18.743 1.00 0.00 H new ATOM 0 HB3 GLN A 57 32.822 -7.028 -17.049 1.00 0.00 H new ATOM 0 HG2 GLN A 57 35.230 -6.082 -17.077 1.00 0.00 H new ATOM 0 HG3 GLN A 57 35.184 -6.247 -18.821 1.00 0.00 H new ATOM 0 HE21 GLN A 57 34.143 -4.382 -16.061 1.00 0.00 H new ATOM 0 HE22 GLN A 57 33.248 -3.142 -16.945 1.00 0.00 H new ATOM 360 N ASN A 58 34.189 -8.083 -15.023 1.00 0.00 N ATOM 361 CA ASN A 58 34.693 -7.805 -13.688 1.00 0.00 C ATOM 362 C ASN A 58 34.890 -9.104 -12.909 1.00 0.00 C ATOM 363 O ASN A 58 36.021 -9.551 -12.728 1.00 0.00 O ATOM 364 CB ASN A 58 33.706 -6.867 -12.977 1.00 0.00 C ATOM 365 CG ASN A 58 33.439 -5.625 -13.826 1.00 0.00 C ATOM 366 OD1 ASN A 58 34.217 -4.676 -13.810 1.00 0.00 O ATOM 367 ND2 ASN A 58 32.335 -5.638 -14.575 1.00 0.00 N ATOM 0 H ASN A 58 33.173 -8.035 -15.101 1.00 0.00 H new ATOM 0 HA ASN A 58 35.666 -7.318 -13.750 1.00 0.00 H new ATOM 0 HB2 ASN A 58 32.770 -7.392 -12.786 1.00 0.00 H new ATOM 0 HB3 ASN A 58 34.109 -6.572 -12.008 1.00 0.00 H new ATOM 0 HD21 ASN A 58 32.110 -4.837 -15.165 1.00 0.00 H new ATOM 0 HD22 ASN A 58 31.716 -6.449 -14.557 1.00 0.00 H new ATOM 374 N GLY A 59 33.791 -9.703 -12.448 1.00 0.00 N ATOM 375 CA GLY A 59 33.842 -10.933 -11.680 1.00 0.00 C ATOM 376 C GLY A 59 32.516 -11.137 -10.960 1.00 0.00 C ATOM 377 O GLY A 59 31.629 -10.288 -11.039 1.00 0.00 O ATOM 0 H GLY A 59 32.848 -9.346 -12.599 1.00 0.00 H new ATOM 0 HA2 GLY A 59 34.044 -11.778 -12.339 1.00 0.00 H new ATOM 0 HA3 GLY A 59 34.657 -10.890 -10.958 1.00 0.00 H new ATOM 381 N THR A 60 32.379 -12.265 -10.258 1.00 0.00 N ATOM 382 CA THR A 60 31.159 -12.575 -9.533 1.00 0.00 C ATOM 383 C THR A 60 31.139 -11.818 -8.207 1.00 0.00 C ATOM 384 O THR A 60 30.213 -11.064 -7.943 1.00 0.00 O ATOM 385 CB THR A 60 31.077 -14.089 -9.296 1.00 0.00 C ATOM 386 OG1 THR A 60 32.320 -14.566 -8.819 1.00 0.00 O ATOM 387 CG2 THR A 60 30.733 -14.799 -10.606 1.00 0.00 C ATOM 0 H THR A 60 33.105 -12.977 -10.181 1.00 0.00 H new ATOM 0 HA THR A 60 30.294 -12.265 -10.119 1.00 0.00 H new ATOM 0 HB THR A 60 30.302 -14.292 -8.557 1.00 0.00 H new ATOM 0 HG1 THR A 60 32.263 -15.533 -8.667 1.00 0.00 H new ATOM 0 HG21 THR A 60 30.676 -15.874 -10.433 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.772 -14.439 -10.974 1.00 0.00 H new ATOM 0 HG23 THR A 60 31.506 -14.591 -11.346 1.00 0.00 H new ATOM 395 N ASP A 61 32.166 -12.030 -7.375 1.00 0.00 N ATOM 396 CA ASP A 61 32.253 -11.406 -6.057 1.00 0.00 C ATOM 397 C ASP A 61 32.203 -9.875 -6.155 1.00 0.00 C ATOM 398 O ASP A 61 31.858 -9.208 -5.180 1.00 0.00 O ATOM 399 CB ASP A 61 33.547 -11.862 -5.378 1.00 0.00 C ATOM 400 CG ASP A 61 33.570 -11.443 -3.913 1.00 0.00 C ATOM 401 OD1 ASP A 61 32.680 -11.919 -3.173 1.00 0.00 O ATOM 402 OD2 ASP A 61 34.476 -10.659 -3.560 1.00 0.00 O ATOM 0 H ASP A 61 32.955 -12.637 -7.599 1.00 0.00 H new ATOM 0 HA ASP A 61 31.395 -11.716 -5.461 1.00 0.00 H new ATOM 0 HB2 ASP A 61 33.639 -12.946 -5.452 1.00 0.00 H new ATOM 0 HB3 ASP A 61 34.405 -11.434 -5.896 1.00 0.00 H new ATOM 407 N ASP A 62 32.549 -9.321 -7.328 1.00 0.00 N ATOM 408 CA ASP A 62 32.546 -7.879 -7.549 1.00 0.00 C ATOM 409 C ASP A 62 31.108 -7.366 -7.718 1.00 0.00 C ATOM 410 O ASP A 62 30.772 -6.770 -8.741 1.00 0.00 O ATOM 411 CB ASP A 62 33.382 -7.570 -8.797 1.00 0.00 C ATOM 412 CG ASP A 62 34.795 -8.125 -8.666 1.00 0.00 C ATOM 413 OD1 ASP A 62 34.953 -9.339 -8.922 1.00 0.00 O ATOM 414 OD2 ASP A 62 35.687 -7.325 -8.312 1.00 0.00 O ATOM 0 H ASP A 62 32.837 -9.864 -8.142 1.00 0.00 H new ATOM 0 HA ASP A 62 32.980 -7.373 -6.687 1.00 0.00 H new ATOM 0 HB2 ASP A 62 32.900 -7.999 -9.676 1.00 0.00 H new ATOM 0 HB3 ASP A 62 33.425 -6.492 -8.951 1.00 0.00 H new ATOM 419 N TRP A 63 30.260 -7.598 -6.709 1.00 0.00 N ATOM 420 CA TRP A 63 28.867 -7.183 -6.753 1.00 0.00 C ATOM 421 C TRP A 63 28.758 -5.664 -6.703 1.00 0.00 C ATOM 422 O TRP A 63 27.915 -5.086 -7.380 1.00 0.00 O ATOM 423 CB TRP A 63 28.112 -7.821 -5.588 1.00 0.00 C ATOM 424 CG TRP A 63 28.143 -9.313 -5.583 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.549 -10.088 -4.563 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.772 -10.237 -6.648 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.473 -11.418 -4.894 1.00 0.00 N ATOM 428 CE2 TRP A 63 28.001 -11.573 -6.186 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.272 -10.092 -7.967 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.760 -12.691 -6.985 1.00 0.00 C ATOM 431 CZ3 TRP A 63 27.028 -11.217 -8.773 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.279 -12.513 -8.287 1.00 0.00 C ATOM 0 H TRP A 63 30.525 -8.076 -5.848 1.00 0.00 H new ATOM 0 HA TRP A 63 28.422 -7.517 -7.690 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.536 -7.457 -4.652 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.074 -7.490 -5.618 1.00 0.00 H new ATOM 0 HD1 TRP A 63 28.890 -9.714 -3.609 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.729 -12.186 -4.274 1.00 0.00 H new ATOM 0 HE3 TRP A 63 27.076 -9.104 -8.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 27.943 -13.684 -6.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.645 -11.085 -9.774 1.00 0.00 H new ATOM 0 HH2 TRP A 63 27.100 -13.371 -8.919 1.00 0.00 H new ATOM 443 N LYS A 64 29.610 -5.014 -5.904 1.00 0.00 N ATOM 444 CA LYS A 64 29.595 -3.565 -5.799 1.00 0.00 C ATOM 445 C LYS A 64 29.931 -2.951 -7.160 1.00 0.00 C ATOM 446 O LYS A 64 29.342 -1.945 -7.550 1.00 0.00 O ATOM 447 CB LYS A 64 30.593 -3.120 -4.724 1.00 0.00 C ATOM 448 CG LYS A 64 30.421 -1.618 -4.438 1.00 0.00 C ATOM 449 CD LYS A 64 30.235 -1.371 -2.930 1.00 0.00 C ATOM 450 CE LYS A 64 28.748 -1.464 -2.549 1.00 0.00 C ATOM 451 NZ LYS A 64 28.256 -2.852 -2.610 1.00 0.00 N ATOM 0 H LYS A 64 30.314 -5.473 -5.325 1.00 0.00 H new ATOM 0 HA LYS A 64 28.603 -3.221 -5.506 1.00 0.00 H new ATOM 0 HB2 LYS A 64 30.436 -3.693 -3.810 1.00 0.00 H new ATOM 0 HB3 LYS A 64 31.612 -3.321 -5.056 1.00 0.00 H new ATOM 0 HG2 LYS A 64 31.294 -1.072 -4.796 1.00 0.00 H new ATOM 0 HG3 LYS A 64 29.559 -1.235 -4.984 1.00 0.00 H new ATOM 0 HD2 LYS A 64 30.809 -2.103 -2.362 1.00 0.00 H new ATOM 0 HD3 LYS A 64 30.623 -0.387 -2.666 1.00 0.00 H new ATOM 0 HE2 LYS A 64 28.605 -1.071 -1.542 1.00 0.00 H new ATOM 0 HE3 LYS A 64 28.160 -0.839 -3.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 27.281 -2.891 -2.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 28.275 -3.184 -3.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 28.864 -3.462 -2.027 1.00 0.00 H new ATOM 465 N VAL A 65 30.873 -3.565 -7.886 1.00 0.00 N ATOM 466 CA VAL A 65 31.257 -3.090 -9.205 1.00 0.00 C ATOM 467 C VAL A 65 30.072 -3.248 -10.156 1.00 0.00 C ATOM 468 O VAL A 65 29.727 -2.317 -10.880 1.00 0.00 O ATOM 469 CB VAL A 65 32.476 -3.876 -9.707 1.00 0.00 C ATOM 470 CG1 VAL A 65 32.943 -3.302 -11.046 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.617 -3.776 -8.688 1.00 0.00 C ATOM 0 H VAL A 65 31.380 -4.393 -7.574 1.00 0.00 H new ATOM 0 HA VAL A 65 31.532 -2.036 -9.158 1.00 0.00 H new ATOM 0 HB VAL A 65 32.196 -4.922 -9.835 1.00 0.00 H new ATOM 0 HG11 VAL A 65 33.809 -3.862 -11.400 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.137 -3.380 -11.776 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.216 -2.255 -10.917 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.479 -4.336 -9.051 1.00 0.00 H new ATOM 0 HG22 VAL A 65 33.894 -2.730 -8.554 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.290 -4.190 -7.734 1.00 0.00 H new ATOM 481 N ILE A 66 29.443 -4.430 -10.146 1.00 0.00 N ATOM 482 CA ILE A 66 28.283 -4.692 -10.986 1.00 0.00 C ATOM 483 C ILE A 66 27.184 -3.670 -10.671 1.00 0.00 C ATOM 484 O ILE A 66 26.529 -3.168 -11.580 1.00 0.00 O ATOM 485 CB ILE A 66 27.797 -6.135 -10.752 1.00 0.00 C ATOM 486 CG1 ILE A 66 28.816 -7.116 -11.359 1.00 0.00 C ATOM 487 CG2 ILE A 66 26.430 -6.337 -11.419 1.00 0.00 C ATOM 488 CD1 ILE A 66 28.634 -8.514 -10.771 1.00 0.00 C ATOM 0 H ILE A 66 29.724 -5.217 -9.562 1.00 0.00 H new ATOM 0 HA ILE A 66 28.548 -4.590 -12.038 1.00 0.00 H new ATOM 0 HB ILE A 66 27.703 -6.318 -9.682 1.00 0.00 H new ATOM 0 HG12 ILE A 66 28.693 -7.152 -12.441 1.00 0.00 H new ATOM 0 HG13 ILE A 66 29.829 -6.763 -11.165 1.00 0.00 H new ATOM 0 HG21 ILE A 66 26.091 -7.359 -11.251 1.00 0.00 H new ATOM 0 HG22 ILE A 66 25.710 -5.640 -10.991 1.00 0.00 H new ATOM 0 HG23 ILE A 66 26.517 -6.155 -12.490 1.00 0.00 H new ATOM 0 HD11 ILE A 66 29.364 -9.192 -11.213 1.00 0.00 H new ATOM 0 HD12 ILE A 66 28.781 -8.477 -9.692 1.00 0.00 H new ATOM 0 HD13 ILE A 66 27.628 -8.872 -10.988 1.00 0.00 H new ATOM 500 N ALA A 67 26.991 -3.360 -9.382 1.00 0.00 N ATOM 501 CA ALA A 67 25.985 -2.396 -8.958 1.00 0.00 C ATOM 502 C ALA A 67 26.305 -1.009 -9.526 1.00 0.00 C ATOM 503 O ALA A 67 25.397 -0.265 -9.882 1.00 0.00 O ATOM 504 CB ALA A 67 25.927 -2.357 -7.430 1.00 0.00 C ATOM 0 H ALA A 67 27.526 -3.770 -8.616 1.00 0.00 H new ATOM 0 HA ALA A 67 25.010 -2.700 -9.339 1.00 0.00 H new ATOM 0 HB1 ALA A 67 25.174 -1.635 -7.113 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.666 -3.345 -7.050 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.900 -2.063 -7.036 1.00 0.00 H new ATOM 510 N ASN A 68 27.595 -0.660 -9.619 1.00 0.00 N ATOM 511 CA ASN A 68 27.999 0.628 -10.173 1.00 0.00 C ATOM 512 C ASN A 68 27.649 0.679 -11.663 1.00 0.00 C ATOM 513 O ASN A 68 27.305 1.739 -12.180 1.00 0.00 O ATOM 514 CB ASN A 68 29.501 0.853 -9.954 1.00 0.00 C ATOM 515 CG ASN A 68 29.757 1.583 -8.639 1.00 0.00 C ATOM 516 OD1 ASN A 68 30.106 2.760 -8.639 1.00 0.00 O ATOM 517 ND2 ASN A 68 29.583 0.885 -7.518 1.00 0.00 N ATOM 0 H ASN A 68 28.369 -1.252 -9.318 1.00 0.00 H new ATOM 0 HA ASN A 68 27.461 1.426 -9.661 1.00 0.00 H new ATOM 0 HB2 ASN A 68 30.019 -0.106 -9.949 1.00 0.00 H new ATOM 0 HB3 ASN A 68 29.910 1.432 -10.782 1.00 0.00 H new ATOM 0 HD21 ASN A 68 29.741 1.327 -6.612 1.00 0.00 H new ATOM 0 HD22 ASN A 68 29.292 -0.091 -7.565 1.00 0.00 H new ATOM 524 N TYR A 69 27.729 -0.472 -12.349 1.00 0.00 N ATOM 525 CA TYR A 69 27.396 -0.551 -13.768 1.00 0.00 C ATOM 526 C TYR A 69 25.875 -0.609 -13.943 1.00 0.00 C ATOM 527 O TYR A 69 25.357 -0.159 -14.964 1.00 0.00 O ATOM 528 CB TYR A 69 28.051 -1.792 -14.384 1.00 0.00 C ATOM 529 CG TYR A 69 29.500 -1.582 -14.777 1.00 0.00 C ATOM 530 CD1 TYR A 69 29.819 -0.737 -15.856 1.00 0.00 C ATOM 531 CD2 TYR A 69 30.526 -2.244 -14.079 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.160 -0.554 -16.234 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.867 -2.059 -14.458 1.00 0.00 C ATOM 534 CZ TYR A 69 32.183 -1.215 -15.535 1.00 0.00 C ATOM 535 OH TYR A 69 33.484 -1.042 -15.906 1.00 0.00 O ATOM 0 H TYR A 69 28.022 -1.358 -11.938 1.00 0.00 H new ATOM 0 HA TYR A 69 27.773 0.336 -14.278 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.992 -2.615 -13.672 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.484 -2.092 -15.265 1.00 0.00 H new ATOM 0 HD1 TYR A 69 29.033 -0.229 -16.394 1.00 0.00 H new ATOM 0 HD2 TYR A 69 30.284 -2.895 -13.252 1.00 0.00 H new ATOM 0 HE1 TYR A 69 31.404 0.095 -17.062 1.00 0.00 H new ATOM 0 HE2 TYR A 69 32.655 -2.566 -13.921 1.00 0.00 H new ATOM 0 HH TYR A 69 34.065 -1.570 -15.319 1.00 0.00 H new ATOM 545 N LEU A 70 25.168 -1.160 -12.943 1.00 0.00 N ATOM 546 CA LEU A 70 23.713 -1.264 -12.966 1.00 0.00 C ATOM 547 C LEU A 70 23.135 -0.491 -11.775 1.00 0.00 C ATOM 548 O LEU A 70 22.885 -1.088 -10.725 1.00 0.00 O ATOM 549 CB LEU A 70 23.301 -2.744 -12.883 1.00 0.00 C ATOM 550 CG LEU A 70 23.829 -3.532 -14.092 1.00 0.00 C ATOM 551 CD1 LEU A 70 23.505 -5.016 -13.902 1.00 0.00 C ATOM 552 CD2 LEU A 70 23.169 -3.033 -15.381 1.00 0.00 C ATOM 0 H LEU A 70 25.595 -1.543 -12.100 1.00 0.00 H new ATOM 0 HA LEU A 70 23.327 -0.841 -13.893 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.687 -3.182 -11.962 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.215 -2.821 -12.841 1.00 0.00 H new ATOM 0 HG LEU A 70 24.907 -3.389 -14.168 1.00 0.00 H new ATOM 0 HD11 LEU A 70 23.877 -5.582 -14.756 1.00 0.00 H new ATOM 0 HD12 LEU A 70 23.982 -5.379 -12.991 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.426 -5.146 -13.823 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.552 -3.600 -16.229 1.00 0.00 H new ATOM 0 HD22 LEU A 70 22.089 -3.168 -15.313 1.00 0.00 H new ATOM 0 HD23 LEU A 70 23.395 -1.976 -15.520 1.00 0.00 H new ATOM 564 N PRO A 71 22.919 0.840 -11.924 1.00 0.00 N ATOM 565 CA PRO A 71 22.390 1.684 -10.859 1.00 0.00 C ATOM 566 C PRO A 71 20.890 1.418 -10.613 1.00 0.00 C ATOM 567 O PRO A 71 20.120 2.348 -10.375 1.00 0.00 O ATOM 568 CB PRO A 71 22.642 3.123 -11.334 1.00 0.00 C ATOM 569 CG PRO A 71 22.944 3.039 -12.834 1.00 0.00 C ATOM 570 CD PRO A 71 23.209 1.566 -13.144 1.00 0.00 C ATOM 0 HA PRO A 71 22.874 1.482 -9.903 1.00 0.00 H new ATOM 0 HB2 PRO A 71 21.771 3.751 -11.148 1.00 0.00 H new ATOM 0 HB3 PRO A 71 23.477 3.569 -10.794 1.00 0.00 H new ATOM 0 HG2 PRO A 71 22.104 3.413 -13.420 1.00 0.00 H new ATOM 0 HG3 PRO A 71 23.809 3.651 -13.090 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.578 1.220 -13.963 1.00 0.00 H new ATOM 0 HD3 PRO A 71 24.243 1.413 -13.452 1.00 0.00 H new ATOM 578 N ASN A 72 20.480 0.147 -10.664 1.00 0.00 N ATOM 579 CA ASN A 72 19.101 -0.247 -10.422 1.00 0.00 C ATOM 580 C ASN A 72 19.060 -1.652 -9.806 1.00 0.00 C ATOM 581 O ASN A 72 17.989 -2.253 -9.713 1.00 0.00 O ATOM 582 CB ASN A 72 18.322 -0.199 -11.748 1.00 0.00 C ATOM 583 CG ASN A 72 17.153 0.777 -11.665 1.00 0.00 C ATOM 584 OD1 ASN A 72 16.003 0.385 -11.843 1.00 0.00 O ATOM 585 ND2 ASN A 72 17.448 2.049 -11.396 1.00 0.00 N ATOM 0 H ASN A 72 21.101 -0.634 -10.875 1.00 0.00 H new ATOM 0 HA ASN A 72 18.635 0.442 -9.718 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.991 0.098 -12.555 1.00 0.00 H new ATOM 0 HB3 ASN A 72 17.951 -1.195 -11.992 1.00 0.00 H new ATOM 0 HD21 ASN A 72 16.703 2.743 -11.331 1.00 0.00 H new ATOM 0 HD22 ASN A 72 18.419 2.329 -11.255 1.00 0.00 H new ATOM 592 N ARG A 73 20.234 -2.169 -9.384 1.00 0.00 N ATOM 593 CA ARG A 73 20.350 -3.487 -8.773 1.00 0.00 C ATOM 594 C ARG A 73 21.415 -3.431 -7.686 1.00 0.00 C ATOM 595 O ARG A 73 22.588 -3.208 -7.981 1.00 0.00 O ATOM 596 CB ARG A 73 20.745 -4.527 -9.831 1.00 0.00 C ATOM 597 CG ARG A 73 19.628 -4.711 -10.860 1.00 0.00 C ATOM 598 CD ARG A 73 18.401 -5.362 -10.204 1.00 0.00 C ATOM 599 NE ARG A 73 17.457 -5.836 -11.219 1.00 0.00 N ATOM 600 CZ ARG A 73 17.022 -5.064 -12.223 1.00 0.00 C ATOM 601 NH1 ARG A 73 16.986 -3.732 -12.084 1.00 0.00 N ATOM 602 NH2 ARG A 73 16.634 -5.624 -13.367 1.00 0.00 N ATOM 0 H ARG A 73 21.122 -1.674 -9.463 1.00 0.00 H new ATOM 0 HA ARG A 73 19.391 -3.775 -8.342 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.659 -4.211 -10.333 1.00 0.00 H new ATOM 0 HB3 ARG A 73 20.960 -5.480 -9.347 1.00 0.00 H new ATOM 0 HG2 ARG A 73 19.353 -3.746 -11.284 1.00 0.00 H new ATOM 0 HG3 ARG A 73 19.981 -5.332 -11.683 1.00 0.00 H new ATOM 0 HD2 ARG A 73 18.718 -6.196 -9.578 1.00 0.00 H new ATOM 0 HD3 ARG A 73 17.908 -4.642 -9.551 1.00 0.00 H new ATOM 0 HE ARG A 73 17.116 -6.796 -11.158 1.00 0.00 H new ATOM 0 HH11 ARG A 73 17.291 -3.302 -11.211 1.00 0.00 H new ATOM 0 HH12 ARG A 73 16.654 -3.148 -12.851 1.00 0.00 H new ATOM 0 HH21 ARG A 73 16.669 -6.638 -13.476 1.00 0.00 H new ATOM 0 HH22 ARG A 73 16.302 -5.039 -14.134 1.00 0.00 H new ATOM 616 N THR A 74 21.011 -3.637 -6.431 1.00 0.00 N ATOM 617 CA THR A 74 21.943 -3.628 -5.318 1.00 0.00 C ATOM 618 C THR A 74 22.841 -4.859 -5.408 1.00 0.00 C ATOM 619 O THR A 74 22.468 -5.854 -6.026 1.00 0.00 O ATOM 620 CB THR A 74 21.165 -3.623 -3.997 1.00 0.00 C ATOM 621 OG1 THR A 74 20.272 -4.717 -3.969 1.00 0.00 O ATOM 622 CG2 THR A 74 20.376 -2.318 -3.864 1.00 0.00 C ATOM 0 H THR A 74 20.041 -3.812 -6.167 1.00 0.00 H new ATOM 0 HA THR A 74 22.564 -2.733 -5.358 1.00 0.00 H new ATOM 0 HB THR A 74 21.868 -3.705 -3.168 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.777 -4.713 -3.123 1.00 0.00 H new ATOM 0 HG21 THR A 74 19.825 -2.320 -2.923 1.00 0.00 H new ATOM 0 HG22 THR A 74 21.065 -1.473 -3.879 1.00 0.00 H new ATOM 0 HG23 THR A 74 19.676 -2.230 -4.694 1.00 0.00 H new ATOM 630 N ASP A 75 24.023 -4.791 -4.789 1.00 0.00 N ATOM 631 CA ASP A 75 24.963 -5.906 -4.789 1.00 0.00 C ATOM 632 C ASP A 75 24.271 -7.174 -4.278 1.00 0.00 C ATOM 633 O ASP A 75 24.500 -8.263 -4.805 1.00 0.00 O ATOM 634 CB ASP A 75 26.178 -5.552 -3.919 1.00 0.00 C ATOM 635 CG ASP A 75 25.760 -4.872 -2.622 1.00 0.00 C ATOM 636 OD1 ASP A 75 25.673 -3.623 -2.640 1.00 0.00 O ATOM 637 OD2 ASP A 75 25.540 -5.606 -1.641 1.00 0.00 O ATOM 0 H ASP A 75 24.349 -3.969 -4.280 1.00 0.00 H new ATOM 0 HA ASP A 75 25.308 -6.095 -5.806 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.739 -6.458 -3.691 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.846 -4.895 -4.476 1.00 0.00 H new ATOM 642 N VAL A 76 23.419 -7.027 -3.256 1.00 0.00 N ATOM 643 CA VAL A 76 22.686 -8.148 -2.691 1.00 0.00 C ATOM 644 C VAL A 76 21.796 -8.782 -3.763 1.00 0.00 C ATOM 645 O VAL A 76 21.810 -10.001 -3.938 1.00 0.00 O ATOM 646 CB VAL A 76 21.841 -7.665 -1.500 1.00 0.00 C ATOM 647 CG1 VAL A 76 21.088 -8.851 -0.886 1.00 0.00 C ATOM 648 CG2 VAL A 76 22.749 -7.038 -0.437 1.00 0.00 C ATOM 0 H VAL A 76 23.225 -6.132 -2.806 1.00 0.00 H new ATOM 0 HA VAL A 76 23.390 -8.902 -2.338 1.00 0.00 H new ATOM 0 HB VAL A 76 21.127 -6.920 -1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.490 -8.505 -0.043 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.434 -9.295 -1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.804 -9.598 -0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 76 22.144 -6.698 0.404 1.00 0.00 H new ATOM 0 HG22 VAL A 76 23.469 -7.779 -0.090 1.00 0.00 H new ATOM 0 HG23 VAL A 76 23.281 -6.190 -0.867 1.00 0.00 H new ATOM 658 N GLN A 77 21.018 -7.956 -4.478 1.00 0.00 N ATOM 659 CA GLN A 77 20.112 -8.452 -5.503 1.00 0.00 C ATOM 660 C GLN A 77 20.901 -9.076 -6.656 1.00 0.00 C ATOM 661 O GLN A 77 20.490 -10.098 -7.196 1.00 0.00 O ATOM 662 CB GLN A 77 19.218 -7.315 -6.007 1.00 0.00 C ATOM 663 CG GLN A 77 17.932 -7.910 -6.596 1.00 0.00 C ATOM 664 CD GLN A 77 17.121 -6.862 -7.350 1.00 0.00 C ATOM 665 OE1 GLN A 77 16.622 -7.132 -8.439 1.00 0.00 O ATOM 666 NE2 GLN A 77 16.987 -5.668 -6.772 1.00 0.00 N ATOM 0 H GLN A 77 21.004 -6.943 -4.359 1.00 0.00 H new ATOM 0 HA GLN A 77 19.477 -9.225 -5.070 1.00 0.00 H new ATOM 0 HB2 GLN A 77 18.978 -6.635 -5.190 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.743 -6.731 -6.763 1.00 0.00 H new ATOM 0 HG2 GLN A 77 18.185 -8.729 -7.270 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.326 -8.332 -5.795 1.00 0.00 H new ATOM 0 HE21 GLN A 77 17.419 -5.489 -5.866 1.00 0.00 H new ATOM 0 HE22 GLN A 77 16.452 -4.934 -7.236 1.00 0.00 H new ATOM 675 N CYS A 78 22.034 -8.464 -7.030 1.00 0.00 N ATOM 676 CA CYS A 78 22.868 -8.987 -8.106 1.00 0.00 C ATOM 677 C CYS A 78 23.311 -10.405 -7.752 1.00 0.00 C ATOM 678 O CYS A 78 23.223 -11.312 -8.579 1.00 0.00 O ATOM 679 CB CYS A 78 24.089 -8.085 -8.316 1.00 0.00 C ATOM 680 SG CYS A 78 23.558 -6.527 -9.069 1.00 0.00 S ATOM 0 H CYS A 78 22.388 -7.609 -6.601 1.00 0.00 H new ATOM 0 HA CYS A 78 22.295 -9.008 -9.033 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.582 -7.892 -7.363 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.817 -8.582 -8.957 1.00 0.00 H new ATOM 0 HG CYS A 78 22.981 -5.785 -8.171 1.00 0.00 H new ATOM 686 N GLN A 79 23.784 -10.592 -6.513 1.00 0.00 N ATOM 687 CA GLN A 79 24.227 -11.894 -6.044 1.00 0.00 C ATOM 688 C GLN A 79 23.055 -12.875 -6.046 1.00 0.00 C ATOM 689 O GLN A 79 23.183 -13.991 -6.544 1.00 0.00 O ATOM 690 CB GLN A 79 24.820 -11.751 -4.638 1.00 0.00 C ATOM 691 CG GLN A 79 25.471 -13.073 -4.209 1.00 0.00 C ATOM 692 CD GLN A 79 24.731 -13.697 -3.033 1.00 0.00 C ATOM 693 OE1 GLN A 79 23.981 -14.658 -3.202 1.00 0.00 O ATOM 694 NE2 GLN A 79 24.946 -13.152 -1.837 1.00 0.00 N ATOM 0 H GLN A 79 23.867 -9.848 -5.820 1.00 0.00 H new ATOM 0 HA GLN A 79 24.996 -12.284 -6.710 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.560 -10.950 -4.625 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.038 -11.474 -3.931 1.00 0.00 H new ATOM 0 HG2 GLN A 79 25.476 -13.768 -5.049 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.511 -12.897 -3.935 1.00 0.00 H new ATOM 0 HE21 GLN A 79 25.577 -12.356 -1.745 1.00 0.00 H new ATOM 0 HE22 GLN A 79 24.480 -13.531 -1.013 1.00 0.00 H new ATOM 703 N HIS A 80 21.911 -12.456 -5.487 1.00 0.00 N ATOM 704 CA HIS A 80 20.724 -13.301 -5.422 1.00 0.00 C ATOM 705 C HIS A 80 20.233 -13.654 -6.826 1.00 0.00 C ATOM 706 O HIS A 80 19.621 -14.699 -7.017 1.00 0.00 O ATOM 707 CB HIS A 80 19.624 -12.587 -4.629 1.00 0.00 C ATOM 708 CG HIS A 80 19.628 -12.965 -3.172 1.00 0.00 C ATOM 709 ND1 HIS A 80 18.495 -12.880 -2.372 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.610 -13.445 -2.341 1.00 0.00 C ATOM 711 CE1 HIS A 80 18.853 -13.303 -1.144 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.134 -13.666 -1.058 1.00 0.00 N ATOM 0 H HIS A 80 21.789 -11.532 -5.073 1.00 0.00 H new ATOM 0 HA HIS A 80 20.981 -14.230 -4.914 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.755 -11.509 -4.722 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.653 -12.829 -5.061 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.629 -13.628 -2.649 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.169 -13.344 -0.309 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.640 -14.020 -0.246 1.00 0.00 H new ATOM 720 N ARG A 81 20.496 -12.797 -7.810 1.00 0.00 N ATOM 721 CA ARG A 81 20.088 -13.075 -9.172 1.00 0.00 C ATOM 722 C ARG A 81 21.043 -14.086 -9.793 1.00 0.00 C ATOM 723 O ARG A 81 20.609 -15.002 -10.479 1.00 0.00 O ATOM 724 CB ARG A 81 20.065 -11.776 -9.989 1.00 0.00 C ATOM 725 CG ARG A 81 19.687 -12.071 -11.454 1.00 0.00 C ATOM 726 CD ARG A 81 18.317 -12.756 -11.517 1.00 0.00 C ATOM 727 NE ARG A 81 17.785 -12.764 -12.887 1.00 0.00 N ATOM 728 CZ ARG A 81 16.596 -13.309 -13.203 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.903 -13.989 -12.279 1.00 0.00 N ATOM 730 NH2 ARG A 81 16.101 -13.174 -14.439 1.00 0.00 N ATOM 0 H ARG A 81 20.987 -11.912 -7.684 1.00 0.00 H new ATOM 0 HA ARG A 81 19.083 -13.496 -9.172 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.349 -11.078 -9.555 1.00 0.00 H new ATOM 0 HB3 ARG A 81 21.043 -11.296 -9.948 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.665 -11.143 -12.026 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.443 -12.710 -11.911 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.403 -13.780 -11.152 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.620 -12.240 -10.857 1.00 0.00 H new ATOM 0 HE ARG A 81 18.340 -12.339 -13.629 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.277 -14.094 -11.336 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.002 -14.402 -12.519 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.625 -12.657 -15.145 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.199 -13.588 -14.675 1.00 0.00 H new ATOM 744 N TRP A 82 22.346 -13.914 -9.566 1.00 0.00 N ATOM 745 CA TRP A 82 23.340 -14.777 -10.173 1.00 0.00 C ATOM 746 C TRP A 82 23.492 -16.102 -9.419 1.00 0.00 C ATOM 747 O TRP A 82 23.097 -17.146 -9.924 1.00 0.00 O ATOM 748 CB TRP A 82 24.679 -14.049 -10.240 1.00 0.00 C ATOM 749 CG TRP A 82 25.739 -14.833 -10.943 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.652 -15.626 -10.358 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.988 -14.949 -12.372 1.00 0.00 C ATOM 752 NE1 TRP A 82 27.447 -16.236 -11.295 1.00 0.00 N ATOM 753 CE2 TRP A 82 27.076 -15.855 -12.571 1.00 0.00 C ATOM 754 CE3 TRP A 82 25.400 -14.389 -13.528 1.00 0.00 C ATOM 755 CZ2 TRP A 82 27.544 -16.192 -13.842 1.00 0.00 C ATOM 756 CZ3 TRP A 82 25.874 -14.723 -14.810 1.00 0.00 C ATOM 757 CH2 TRP A 82 26.938 -15.627 -14.967 1.00 0.00 C ATOM 0 H TRP A 82 22.730 -13.184 -8.966 1.00 0.00 H new ATOM 0 HA TRP A 82 23.002 -15.018 -11.181 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.542 -13.096 -10.750 1.00 0.00 H new ATOM 0 HB3 TRP A 82 25.014 -13.823 -9.228 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.748 -15.765 -9.291 1.00 0.00 H new ATOM 0 HE1 TRP A 82 28.207 -16.882 -11.080 1.00 0.00 H new ATOM 0 HE3 TRP A 82 24.577 -13.697 -13.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 28.367 -16.883 -13.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 25.415 -14.280 -15.682 1.00 0.00 H new ATOM 0 HH2 TRP A 82 27.287 -15.885 -15.956 1.00 0.00 H new ATOM 768 N GLN A 83 24.093 -16.055 -8.224 1.00 0.00 N ATOM 769 CA GLN A 83 24.412 -17.254 -7.446 1.00 0.00 C ATOM 770 C GLN A 83 23.196 -18.160 -7.238 1.00 0.00 C ATOM 771 O GLN A 83 23.362 -19.365 -7.061 1.00 0.00 O ATOM 772 CB GLN A 83 24.982 -16.834 -6.083 1.00 0.00 C ATOM 773 CG GLN A 83 26.375 -16.214 -6.250 1.00 0.00 C ATOM 774 CD GLN A 83 27.412 -17.269 -6.629 1.00 0.00 C ATOM 775 OE1 GLN A 83 27.968 -17.233 -7.723 1.00 0.00 O ATOM 776 NE2 GLN A 83 27.674 -18.207 -5.720 1.00 0.00 N ATOM 0 H GLN A 83 24.371 -15.184 -7.771 1.00 0.00 H new ATOM 0 HA GLN A 83 25.147 -17.828 -8.010 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.313 -16.116 -5.608 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.040 -17.700 -5.424 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.342 -15.442 -7.019 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.672 -15.727 -5.321 1.00 0.00 H new ATOM 0 HE21 GLN A 83 27.188 -18.198 -4.823 1.00 0.00 H new ATOM 0 HE22 GLN A 83 28.361 -18.934 -5.921 1.00 0.00 H new ATOM 785 N LYS A 84 21.984 -17.594 -7.235 1.00 0.00 N ATOM 786 CA LYS A 84 20.781 -18.370 -6.959 1.00 0.00 C ATOM 787 C LYS A 84 20.048 -18.781 -8.247 1.00 0.00 C ATOM 788 O LYS A 84 19.057 -19.506 -8.163 1.00 0.00 O ATOM 789 CB LYS A 84 19.861 -17.538 -6.050 1.00 0.00 C ATOM 790 CG LYS A 84 19.625 -18.261 -4.715 1.00 0.00 C ATOM 791 CD LYS A 84 20.919 -18.305 -3.879 1.00 0.00 C ATOM 792 CE LYS A 84 21.454 -16.886 -3.641 1.00 0.00 C ATOM 793 NZ LYS A 84 22.423 -16.860 -2.532 1.00 0.00 N ATOM 0 H LYS A 84 21.816 -16.605 -7.420 1.00 0.00 H new ATOM 0 HA LYS A 84 21.068 -19.295 -6.459 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.308 -16.561 -5.867 1.00 0.00 H new ATOM 0 HB3 LYS A 84 18.908 -17.364 -6.549 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.842 -17.751 -4.154 1.00 0.00 H new ATOM 0 HG3 LYS A 84 19.274 -19.276 -4.903 1.00 0.00 H new ATOM 0 HD2 LYS A 84 20.725 -18.792 -2.923 1.00 0.00 H new ATOM 0 HD3 LYS A 84 21.672 -18.902 -4.394 1.00 0.00 H new ATOM 0 HE2 LYS A 84 21.928 -16.516 -4.550 1.00 0.00 H new ATOM 0 HE3 LYS A 84 20.625 -16.215 -3.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 23.096 -16.081 -2.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 21.919 -16.719 -1.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 22.940 -17.762 -2.501 1.00 0.00 H new ATOM 807 N VAL A 85 20.514 -18.334 -9.433 1.00 0.00 N ATOM 808 CA VAL A 85 19.850 -18.686 -10.694 1.00 0.00 C ATOM 809 C VAL A 85 20.881 -18.980 -11.795 1.00 0.00 C ATOM 810 O VAL A 85 21.012 -20.126 -12.222 1.00 0.00 O ATOM 811 CB VAL A 85 18.890 -17.559 -11.130 1.00 0.00 C ATOM 812 CG1 VAL A 85 17.966 -18.077 -12.236 1.00 0.00 C ATOM 813 CG2 VAL A 85 18.038 -17.085 -9.945 1.00 0.00 C ATOM 0 H VAL A 85 21.335 -17.738 -9.538 1.00 0.00 H new ATOM 0 HA VAL A 85 19.267 -19.592 -10.531 1.00 0.00 H new ATOM 0 HB VAL A 85 19.482 -16.721 -11.497 1.00 0.00 H new ATOM 0 HG11 VAL A 85 17.287 -17.282 -12.545 1.00 0.00 H new ATOM 0 HG12 VAL A 85 18.564 -18.396 -13.090 1.00 0.00 H new ATOM 0 HG13 VAL A 85 17.388 -18.922 -11.861 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.368 -16.290 -10.273 1.00 0.00 H new ATOM 0 HG22 VAL A 85 17.451 -17.920 -9.562 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.689 -16.708 -9.157 1.00 0.00 H new ATOM 823 N LEU A 86 21.600 -17.948 -12.270 1.00 0.00 N ATOM 824 CA LEU A 86 22.565 -18.116 -13.358 1.00 0.00 C ATOM 825 C LEU A 86 23.697 -19.045 -12.924 1.00 0.00 C ATOM 826 O LEU A 86 24.250 -18.893 -11.838 1.00 0.00 O ATOM 827 CB LEU A 86 23.155 -16.756 -13.777 1.00 0.00 C ATOM 828 CG LEU A 86 22.184 -15.926 -14.649 1.00 0.00 C ATOM 829 CD1 LEU A 86 21.654 -16.757 -15.821 1.00 0.00 C ATOM 830 CD2 LEU A 86 21.014 -15.407 -13.815 1.00 0.00 C ATOM 0 H LEU A 86 21.528 -16.994 -11.916 1.00 0.00 H new ATOM 0 HA LEU A 86 22.042 -18.554 -14.208 1.00 0.00 H new ATOM 0 HB2 LEU A 86 23.412 -16.186 -12.884 1.00 0.00 H new ATOM 0 HB3 LEU A 86 24.081 -16.921 -14.328 1.00 0.00 H new ATOM 0 HG LEU A 86 22.740 -15.076 -15.045 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.973 -16.151 -16.419 1.00 0.00 H new ATOM 0 HD12 LEU A 86 22.488 -17.085 -16.441 1.00 0.00 H new ATOM 0 HD13 LEU A 86 21.123 -17.628 -15.438 1.00 0.00 H new ATOM 0 HD21 LEU A 86 20.344 -14.826 -14.449 1.00 0.00 H new ATOM 0 HD22 LEU A 86 20.470 -16.249 -13.388 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.392 -14.775 -13.012 1.00 0.00 H new ATOM 842 N ASN A 87 24.044 -20.002 -13.791 1.00 0.00 N ATOM 843 CA ASN A 87 25.123 -20.938 -13.526 1.00 0.00 C ATOM 844 C ASN A 87 25.595 -21.550 -14.851 1.00 0.00 C ATOM 845 O ASN A 87 25.163 -22.645 -15.214 1.00 0.00 O ATOM 846 CB ASN A 87 24.631 -22.024 -12.557 1.00 0.00 C ATOM 847 CG ASN A 87 25.783 -22.916 -12.098 1.00 0.00 C ATOM 848 OD1 ASN A 87 26.290 -22.756 -10.992 1.00 0.00 O ATOM 849 ND2 ASN A 87 26.193 -23.857 -12.947 1.00 0.00 N ATOM 0 H ASN A 87 23.583 -20.143 -14.690 1.00 0.00 H new ATOM 0 HA ASN A 87 25.965 -20.423 -13.063 1.00 0.00 H new ATOM 0 HB2 ASN A 87 24.161 -21.557 -11.691 1.00 0.00 H new ATOM 0 HB3 ASN A 87 23.868 -22.632 -13.044 1.00 0.00 H new ATOM 0 HD21 ASN A 87 26.958 -24.480 -12.687 1.00 0.00 H new ATOM 0 HD22 ASN A 87 25.742 -23.954 -13.857 1.00 0.00 H new ATOM 856 N PRO A 88 26.479 -20.843 -15.583 1.00 0.00 N ATOM 857 CA PRO A 88 26.993 -21.318 -16.851 1.00 0.00 C ATOM 858 C PRO A 88 27.770 -22.620 -16.661 1.00 0.00 C ATOM 859 O PRO A 88 28.390 -22.830 -15.618 1.00 0.00 O ATOM 860 CB PRO A 88 27.897 -20.201 -17.383 1.00 0.00 C ATOM 861 CG PRO A 88 27.861 -19.066 -16.352 1.00 0.00 C ATOM 862 CD PRO A 88 26.997 -19.550 -15.187 1.00 0.00 C ATOM 0 HA PRO A 88 26.191 -21.539 -17.555 1.00 0.00 H new ATOM 0 HB2 PRO A 88 28.916 -20.563 -17.523 1.00 0.00 H new ATOM 0 HB3 PRO A 88 27.547 -19.851 -18.354 1.00 0.00 H new ATOM 0 HG2 PRO A 88 28.867 -18.822 -16.011 1.00 0.00 H new ATOM 0 HG3 PRO A 88 27.445 -18.159 -16.791 1.00 0.00 H new ATOM 0 HD2 PRO A 88 27.584 -19.629 -14.272 1.00 0.00 H new ATOM 0 HD3 PRO A 88 26.186 -18.850 -14.986 1.00 0.00 H new ATOM 870 N GLU A 89 27.733 -23.492 -17.674 1.00 0.00 N ATOM 871 CA GLU A 89 28.431 -24.765 -17.623 1.00 0.00 C ATOM 872 C GLU A 89 29.939 -24.524 -17.700 1.00 0.00 C ATOM 873 O GLU A 89 30.402 -23.717 -18.503 1.00 0.00 O ATOM 874 CB GLU A 89 27.955 -25.645 -18.784 1.00 0.00 C ATOM 875 CG GLU A 89 28.527 -27.058 -18.639 1.00 0.00 C ATOM 876 CD GLU A 89 27.955 -27.984 -19.705 1.00 0.00 C ATOM 877 OE1 GLU A 89 28.425 -27.879 -20.858 1.00 0.00 O ATOM 878 OE2 GLU A 89 27.059 -28.777 -19.346 1.00 0.00 O ATOM 0 H GLU A 89 27.221 -23.331 -18.541 1.00 0.00 H new ATOM 0 HA GLU A 89 28.214 -25.276 -16.685 1.00 0.00 H new ATOM 0 HB2 GLU A 89 26.866 -25.684 -18.798 1.00 0.00 H new ATOM 0 HB3 GLU A 89 28.271 -25.212 -19.733 1.00 0.00 H new ATOM 0 HG2 GLU A 89 29.613 -27.026 -18.723 1.00 0.00 H new ATOM 0 HG3 GLU A 89 28.295 -27.449 -17.648 1.00 0.00 H new HETATM 885 N NH2 A 90 30.703 -25.224 -16.862 1.00 0.00 N TER 888 NH2 A 90