USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 584 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 Set 1.1: A 28 TYR OH : rot 165:sc= -0.0964 USER MOD Set 1.2: A 30 HIS : no HD1:sc= -2.32! C(o=-2.4!,f=-6.7!) USER MOD Set 2.1: A 8 THR OG1 : rot 180:sc= -0.0585 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -123:sc= 0 (180deg=-0.804) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.119 (180deg=-0.119) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0.574 K(o=0.57,f=-5.3!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -172:sc= 1.29 (180deg=1.06) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0486) USER MOD Single : A 23 ASN : amide:sc= -0.0387 X(o=-0.039,f=0) USER MOD Single : A 26 ASN : amide:sc= -1.17 K(o=-1.2,f=-10!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -5.44! C(o=-5.4!,f=-12!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -170:sc= 0.988 (180deg=0.521) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.155 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.181 USER MOD Single : A 53 ASN : amide:sc= -0.399 K(o=-0.4,f=-5.7!) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.0143 F(o=-0.87,f=-0.014) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -145:sc= -3.17! USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 168:sc= -0.0161 (180deg=-0.189) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 HIS : no HD1:sc=-0.000481 X(o=-0.00048,f=-0.00048) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.294 X(o=-0.29,f=-0.1) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.053 -3.376 -2.980 1.00 0.00 N ATOM 2 CA MET A 1 -13.954 -4.361 -3.097 1.00 0.00 C ATOM 3 C MET A 1 -12.699 -3.850 -2.391 1.00 0.00 C ATOM 4 O MET A 1 -11.694 -4.556 -2.296 1.00 0.00 O ATOM 5 CB MET A 1 -13.654 -4.647 -4.572 1.00 0.00 C ATOM 6 CG MET A 1 -12.790 -5.879 -4.790 1.00 0.00 C ATOM 7 SD MET A 1 -12.445 -6.183 -6.533 1.00 0.00 S ATOM 8 CE MET A 1 -11.480 -7.689 -6.438 1.00 0.00 C ATOM 0 H1 MET A 1 -15.898 -3.739 -3.465 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.272 -3.218 -1.976 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.762 -2.478 -3.417 1.00 0.00 H new ATOM 0 HA MET A 1 -14.267 -5.288 -2.616 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.595 -4.774 -5.107 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.154 -3.781 -5.007 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.849 -5.758 -4.253 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.290 -6.749 -4.365 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.512 -7.532 -6.914 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.330 -7.960 -5.393 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.009 -8.493 -6.949 1.00 0.00 H new ATOM 20 N ALA A 2 -12.758 -2.614 -1.905 1.00 0.00 N ATOM 21 CA ALA A 2 -11.655 -2.032 -1.154 1.00 0.00 C ATOM 22 C ALA A 2 -11.526 -2.701 0.203 1.00 0.00 C ATOM 23 O ALA A 2 -12.445 -2.649 1.024 1.00 0.00 O ATOM 24 CB ALA A 2 -11.855 -0.532 -0.982 1.00 0.00 C ATOM 0 H ALA A 2 -13.561 -1.996 -2.019 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.735 -2.197 -1.715 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.020 -0.116 -0.418 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.904 -0.057 -1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.784 -0.348 -0.443 1.00 0.00 H new ATOM 30 N MET A 3 -10.396 -3.345 0.430 1.00 0.00 N ATOM 31 CA MET A 3 -10.133 -3.987 1.707 1.00 0.00 C ATOM 32 C MET A 3 -9.011 -3.282 2.449 1.00 0.00 C ATOM 33 O MET A 3 -8.331 -2.414 1.892 1.00 0.00 O ATOM 34 CB MET A 3 -9.793 -5.461 1.525 1.00 0.00 C ATOM 35 CG MET A 3 -10.995 -6.373 1.689 1.00 0.00 C ATOM 36 SD MET A 3 -12.212 -6.205 0.369 1.00 0.00 S ATOM 37 CE MET A 3 -13.457 -7.376 0.907 1.00 0.00 C ATOM 0 H MET A 3 -9.644 -3.438 -0.253 1.00 0.00 H new ATOM 0 HA MET A 3 -11.044 -3.915 2.301 1.00 0.00 H new ATOM 0 HB2 MET A 3 -9.364 -5.609 0.534 1.00 0.00 H new ATOM 0 HB3 MET A 3 -9.028 -5.744 2.249 1.00 0.00 H new ATOM 0 HG2 MET A 3 -10.653 -7.407 1.728 1.00 0.00 H new ATOM 0 HG3 MET A 3 -11.475 -6.160 2.644 1.00 0.00 H new ATOM 0 HE1 MET A 3 -14.279 -7.388 0.191 1.00 0.00 H new ATOM 0 HE2 MET A 3 -13.017 -8.371 0.971 1.00 0.00 H new ATOM 0 HE3 MET A 3 -13.833 -7.082 1.887 1.00 0.00 H new ATOM 47 N ASN A 4 -8.832 -3.651 3.707 1.00 0.00 N ATOM 48 CA ASN A 4 -7.795 -3.070 4.539 1.00 0.00 C ATOM 49 C ASN A 4 -6.540 -3.928 4.518 1.00 0.00 C ATOM 50 O ASN A 4 -6.606 -5.160 4.575 1.00 0.00 O ATOM 51 CB ASN A 4 -8.285 -2.884 5.984 1.00 0.00 C ATOM 52 CG ASN A 4 -8.780 -4.169 6.637 1.00 0.00 C ATOM 53 OD1 ASN A 4 -9.344 -5.049 5.979 1.00 0.00 O ATOM 54 ND2 ASN A 4 -8.578 -4.280 7.944 1.00 0.00 N ATOM 0 H ASN A 4 -9.398 -4.357 4.176 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.553 -2.089 4.129 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.472 -2.473 6.583 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.090 -2.150 5.993 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -8.893 -5.114 8.440 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.108 -3.531 8.453 1.00 0.00 H new ATOM 61 N GLY A 5 -5.403 -3.265 4.422 1.00 0.00 N ATOM 62 CA GLY A 5 -4.133 -3.959 4.412 1.00 0.00 C ATOM 63 C GLY A 5 -3.130 -3.314 5.341 1.00 0.00 C ATOM 64 O GLY A 5 -3.203 -2.110 5.599 1.00 0.00 O ATOM 0 H GLY A 5 -5.335 -2.250 4.350 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.285 -4.998 4.706 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.734 -3.970 3.398 1.00 0.00 H new ATOM 68 N THR A 6 -2.198 -4.103 5.846 1.00 0.00 N ATOM 69 CA THR A 6 -1.193 -3.602 6.766 1.00 0.00 C ATOM 70 C THR A 6 0.125 -3.344 6.038 1.00 0.00 C ATOM 71 O THR A 6 0.573 -4.158 5.225 1.00 0.00 O ATOM 72 CB THR A 6 -0.952 -4.598 7.913 1.00 0.00 C ATOM 73 OG1 THR A 6 -2.184 -5.251 8.256 1.00 0.00 O ATOM 74 CG2 THR A 6 -0.395 -3.891 9.140 1.00 0.00 C ATOM 0 H THR A 6 -2.117 -5.097 5.633 1.00 0.00 H new ATOM 0 HA THR A 6 -1.565 -2.665 7.181 1.00 0.00 H new ATOM 0 HB THR A 6 -0.224 -5.336 7.577 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.026 -5.886 8.986 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.234 -4.617 9.936 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.552 -3.414 8.887 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.104 -3.135 9.477 1.00 0.00 H new ATOM 82 N ILE A 7 0.738 -2.209 6.333 1.00 0.00 N ATOM 83 CA ILE A 7 1.977 -1.805 5.679 1.00 0.00 C ATOM 84 C ILE A 7 3.180 -2.475 6.337 1.00 0.00 C ATOM 85 O ILE A 7 3.464 -2.233 7.513 1.00 0.00 O ATOM 86 CB ILE A 7 2.161 -0.273 5.738 1.00 0.00 C ATOM 87 CG1 ILE A 7 0.917 0.432 5.192 1.00 0.00 C ATOM 88 CG2 ILE A 7 3.397 0.146 4.956 1.00 0.00 C ATOM 89 CD1 ILE A 7 0.947 1.938 5.343 1.00 0.00 C ATOM 0 H ILE A 7 0.396 -1.544 7.027 1.00 0.00 H new ATOM 0 HA ILE A 7 1.912 -2.118 4.637 1.00 0.00 H new ATOM 0 HB ILE A 7 2.298 0.020 6.779 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.806 0.185 4.136 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.037 0.043 5.705 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.511 1.229 5.008 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.278 -0.333 5.384 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.289 -0.157 3.915 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.031 2.363 4.932 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.025 2.196 6.399 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.806 2.340 4.806 1.00 0.00 H new ATOM 101 N THR A 8 3.884 -3.311 5.582 1.00 0.00 N ATOM 102 CA THR A 8 5.045 -4.006 6.103 1.00 0.00 C ATOM 103 C THR A 8 6.334 -3.365 5.596 1.00 0.00 C ATOM 104 O THR A 8 7.224 -3.022 6.374 1.00 0.00 O ATOM 105 CB THR A 8 5.013 -5.495 5.706 1.00 0.00 C ATOM 106 OG1 THR A 8 4.887 -5.626 4.283 1.00 0.00 O ATOM 107 CG2 THR A 8 3.856 -6.213 6.387 1.00 0.00 C ATOM 0 H THR A 8 3.667 -3.521 4.608 1.00 0.00 H new ATOM 0 HA THR A 8 5.019 -3.930 7.190 1.00 0.00 H new ATOM 0 HB THR A 8 5.948 -5.951 6.031 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.869 -6.576 4.042 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.854 -7.262 6.091 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.969 -6.141 7.469 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.915 -5.751 6.089 1.00 0.00 H new ATOM 115 N THR A 9 6.417 -3.188 4.286 1.00 0.00 N ATOM 116 CA THR A 9 7.587 -2.595 3.666 1.00 0.00 C ATOM 117 C THR A 9 7.204 -1.316 2.926 1.00 0.00 C ATOM 118 O THR A 9 6.211 -1.293 2.200 1.00 0.00 O ATOM 119 CB THR A 9 8.239 -3.574 2.667 1.00 0.00 C ATOM 120 OG1 THR A 9 8.496 -4.838 3.294 1.00 0.00 O ATOM 121 CG2 THR A 9 9.540 -3.006 2.120 1.00 0.00 C ATOM 0 H THR A 9 5.681 -3.449 3.630 1.00 0.00 H new ATOM 0 HA THR A 9 8.300 -2.364 4.458 1.00 0.00 H new ATOM 0 HB THR A 9 7.542 -3.718 1.841 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.908 -5.447 2.646 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.980 -3.715 1.418 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.339 -2.065 1.608 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.234 -2.831 2.942 1.00 0.00 H new ATOM 129 N TRP A 10 7.981 -0.260 3.110 1.00 0.00 N ATOM 130 CA TRP A 10 7.736 0.987 2.406 1.00 0.00 C ATOM 131 C TRP A 10 9.034 1.753 2.190 1.00 0.00 C ATOM 132 O TRP A 10 9.755 2.060 3.141 1.00 0.00 O ATOM 133 CB TRP A 10 6.729 1.851 3.172 1.00 0.00 C ATOM 134 CG TRP A 10 6.459 3.173 2.520 1.00 0.00 C ATOM 135 CD1 TRP A 10 6.670 4.405 3.062 1.00 0.00 C ATOM 136 CD2 TRP A 10 5.940 3.397 1.202 1.00 0.00 C ATOM 137 NE1 TRP A 10 6.303 5.382 2.171 1.00 0.00 N ATOM 138 CE2 TRP A 10 5.856 4.791 1.020 1.00 0.00 C ATOM 139 CE3 TRP A 10 5.537 2.560 0.157 1.00 0.00 C ATOM 140 CZ2 TRP A 10 5.385 5.362 -0.158 1.00 0.00 C ATOM 141 CZ3 TRP A 10 5.071 3.129 -1.013 1.00 0.00 C ATOM 142 CH2 TRP A 10 5.000 4.519 -1.163 1.00 0.00 C ATOM 0 H TRP A 10 8.784 -0.242 3.739 1.00 0.00 H new ATOM 0 HA TRP A 10 7.315 0.745 1.430 1.00 0.00 H new ATOM 0 HB2 TRP A 10 5.791 1.304 3.268 1.00 0.00 H new ATOM 0 HB3 TRP A 10 7.103 2.022 4.182 1.00 0.00 H new ATOM 0 HD1 TRP A 10 7.068 4.586 4.049 1.00 0.00 H new ATOM 0 HE1 TRP A 10 6.355 6.387 2.339 1.00 0.00 H new ATOM 0 HE3 TRP A 10 5.589 1.486 0.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 5.326 6.434 -0.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 4.756 2.491 -1.825 1.00 0.00 H new ATOM 0 HH2 TRP A 10 4.634 4.933 -2.091 1.00 0.00 H new ATOM 153 N PHE A 11 9.335 2.032 0.929 1.00 0.00 N ATOM 154 CA PHE A 11 10.476 2.855 0.569 1.00 0.00 C ATOM 155 C PHE A 11 10.039 3.933 -0.410 1.00 0.00 C ATOM 156 O PHE A 11 10.100 3.737 -1.625 1.00 0.00 O ATOM 157 CB PHE A 11 11.592 2.017 -0.057 1.00 0.00 C ATOM 158 CG PHE A 11 12.273 1.079 0.898 1.00 0.00 C ATOM 159 CD1 PHE A 11 13.287 1.533 1.728 1.00 0.00 C ATOM 160 CD2 PHE A 11 11.907 -0.254 0.961 1.00 0.00 C ATOM 161 CE1 PHE A 11 13.919 0.671 2.603 1.00 0.00 C ATOM 162 CE2 PHE A 11 12.537 -1.118 1.834 1.00 0.00 C ATOM 163 CZ PHE A 11 13.544 -0.655 2.656 1.00 0.00 C ATOM 0 H PHE A 11 8.796 1.695 0.131 1.00 0.00 H new ATOM 0 HA PHE A 11 10.864 3.313 1.479 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.176 1.438 -0.882 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.338 2.688 -0.483 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.585 2.570 1.690 1.00 0.00 H new ATOM 0 HD2 PHE A 11 11.120 -0.622 0.320 1.00 0.00 H new ATOM 0 HE1 PHE A 11 14.707 1.036 3.246 1.00 0.00 H new ATOM 0 HE2 PHE A 11 12.242 -2.156 1.874 1.00 0.00 H new ATOM 0 HZ PHE A 11 14.038 -1.330 3.340 1.00 0.00 H new ATOM 173 N LYS A 12 9.581 5.060 0.121 1.00 0.00 N ATOM 174 CA LYS A 12 9.124 6.162 -0.711 1.00 0.00 C ATOM 175 C LYS A 12 10.248 6.645 -1.621 1.00 0.00 C ATOM 176 O LYS A 12 10.020 6.986 -2.783 1.00 0.00 O ATOM 177 CB LYS A 12 8.636 7.325 0.151 1.00 0.00 C ATOM 178 CG LYS A 12 7.982 8.429 -0.661 1.00 0.00 C ATOM 179 CD LYS A 12 7.886 9.729 0.118 1.00 0.00 C ATOM 180 CE LYS A 12 7.279 10.830 -0.737 1.00 0.00 C ATOM 181 NZ LYS A 12 7.483 12.178 -0.148 1.00 0.00 N ATOM 0 H LYS A 12 9.517 5.233 1.124 1.00 0.00 H new ATOM 0 HA LYS A 12 8.296 5.800 -1.321 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.924 6.951 0.887 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.479 7.739 0.705 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.554 8.595 -1.574 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.984 8.113 -0.964 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.278 9.579 1.010 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.878 10.030 0.455 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.722 10.800 -1.732 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.211 10.646 -0.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.939 12.880 -0.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.159 12.178 0.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.493 12.422 -0.181 1.00 0.00 H new ATOM 195 N ASP A 13 11.464 6.653 -1.085 1.00 0.00 N ATOM 196 CA ASP A 13 12.635 7.101 -1.831 1.00 0.00 C ATOM 197 C ASP A 13 12.890 6.199 -3.033 1.00 0.00 C ATOM 198 O ASP A 13 13.318 6.660 -4.090 1.00 0.00 O ATOM 199 CB ASP A 13 13.868 7.115 -0.926 1.00 0.00 C ATOM 200 CG ASP A 13 15.063 7.779 -1.578 1.00 0.00 C ATOM 201 OD1 ASP A 13 15.741 7.129 -2.402 1.00 0.00 O ATOM 202 OD2 ASP A 13 15.337 8.956 -1.255 1.00 0.00 O ATOM 0 H ASP A 13 11.665 6.353 -0.131 1.00 0.00 H new ATOM 0 HA ASP A 13 12.441 8.112 -2.188 1.00 0.00 H new ATOM 0 HB2 ASP A 13 13.628 7.637 0.000 1.00 0.00 H new ATOM 0 HB3 ASP A 13 14.128 6.091 -0.657 1.00 0.00 H new ATOM 207 N LYS A 14 12.612 4.914 -2.871 1.00 0.00 N ATOM 208 CA LYS A 14 12.823 3.951 -3.942 1.00 0.00 C ATOM 209 C LYS A 14 11.568 3.821 -4.804 1.00 0.00 C ATOM 210 O LYS A 14 11.608 3.255 -5.897 1.00 0.00 O ATOM 211 CB LYS A 14 13.238 2.595 -3.368 1.00 0.00 C ATOM 212 CG LYS A 14 14.505 2.661 -2.525 1.00 0.00 C ATOM 213 CD LYS A 14 14.955 1.283 -2.064 1.00 0.00 C ATOM 214 CE LYS A 14 15.386 0.412 -3.233 1.00 0.00 C ATOM 215 NZ LYS A 14 15.936 -0.892 -2.779 1.00 0.00 N ATOM 0 H LYS A 14 12.240 4.514 -2.009 1.00 0.00 H new ATOM 0 HA LYS A 14 13.631 4.311 -4.578 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.424 2.202 -2.759 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.391 1.893 -4.187 1.00 0.00 H new ATOM 0 HG2 LYS A 14 15.302 3.128 -3.104 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.330 3.295 -1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.783 1.386 -1.363 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.141 0.795 -1.527 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.534 0.238 -3.890 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.138 0.939 -3.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.218 -1.456 -3.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.765 -0.727 -2.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.210 -1.406 -2.240 1.00 0.00 H new ATOM 229 N GLY A 15 10.455 4.333 -4.291 1.00 0.00 N ATOM 230 CA GLY A 15 9.255 4.462 -5.096 1.00 0.00 C ATOM 231 C GLY A 15 8.262 3.329 -4.918 1.00 0.00 C ATOM 232 O GLY A 15 7.166 3.376 -5.480 1.00 0.00 O ATOM 0 H GLY A 15 10.362 4.662 -3.330 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.764 5.403 -4.848 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.540 4.519 -6.147 1.00 0.00 H new ATOM 236 N PHE A 16 8.615 2.319 -4.135 1.00 0.00 N ATOM 237 CA PHE A 16 7.758 1.146 -4.007 1.00 0.00 C ATOM 238 C PHE A 16 7.560 0.740 -2.552 1.00 0.00 C ATOM 239 O PHE A 16 8.186 1.286 -1.640 1.00 0.00 O ATOM 240 CB PHE A 16 8.331 -0.034 -4.804 1.00 0.00 C ATOM 241 CG PHE A 16 9.654 -0.539 -4.295 1.00 0.00 C ATOM 242 CD1 PHE A 16 10.839 0.016 -4.742 1.00 0.00 C ATOM 243 CD2 PHE A 16 9.709 -1.568 -3.367 1.00 0.00 C ATOM 244 CE1 PHE A 16 12.054 -0.446 -4.275 1.00 0.00 C ATOM 245 CE2 PHE A 16 10.919 -2.034 -2.897 1.00 0.00 C ATOM 246 CZ PHE A 16 12.094 -1.470 -3.351 1.00 0.00 C ATOM 0 H PHE A 16 9.474 2.286 -3.586 1.00 0.00 H new ATOM 0 HA PHE A 16 6.784 1.417 -4.415 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.612 -0.853 -4.787 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.446 0.267 -5.845 1.00 0.00 H new ATOM 0 HD1 PHE A 16 10.814 0.819 -5.464 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.792 -2.011 -3.007 1.00 0.00 H new ATOM 0 HE1 PHE A 16 12.973 -0.006 -4.633 1.00 0.00 H new ATOM 0 HE2 PHE A 16 10.947 -2.838 -2.176 1.00 0.00 H new ATOM 0 HZ PHE A 16 13.044 -1.830 -2.983 1.00 0.00 H new ATOM 256 N GLY A 17 6.686 -0.236 -2.358 1.00 0.00 N ATOM 257 CA GLY A 17 6.402 -0.751 -1.039 1.00 0.00 C ATOM 258 C GLY A 17 5.663 -2.070 -1.113 1.00 0.00 C ATOM 259 O GLY A 17 5.350 -2.547 -2.206 1.00 0.00 O ATOM 0 H GLY A 17 6.161 -0.686 -3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.334 -0.884 -0.489 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.805 -0.027 -0.484 1.00 0.00 H new ATOM 263 N PHE A 18 5.388 -2.660 0.040 1.00 0.00 N ATOM 264 CA PHE A 18 4.673 -3.924 0.111 1.00 0.00 C ATOM 265 C PHE A 18 3.678 -3.885 1.255 1.00 0.00 C ATOM 266 O PHE A 18 4.019 -3.511 2.383 1.00 0.00 O ATOM 267 CB PHE A 18 5.638 -5.100 0.300 1.00 0.00 C ATOM 268 CG PHE A 18 6.555 -5.334 -0.870 1.00 0.00 C ATOM 269 CD1 PHE A 18 6.103 -6.005 -1.995 1.00 0.00 C ATOM 270 CD2 PHE A 18 7.866 -4.881 -0.846 1.00 0.00 C ATOM 271 CE1 PHE A 18 6.939 -6.221 -3.073 1.00 0.00 C ATOM 272 CE2 PHE A 18 8.705 -5.094 -1.922 1.00 0.00 C ATOM 273 CZ PHE A 18 8.242 -5.765 -3.037 1.00 0.00 C ATOM 0 H PHE A 18 5.653 -2.278 0.948 1.00 0.00 H new ATOM 0 HA PHE A 18 4.144 -4.069 -0.831 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.241 -4.923 1.191 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.059 -6.006 0.482 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.085 -6.363 -2.029 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.234 -4.356 0.023 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.574 -6.746 -3.943 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.723 -4.736 -1.892 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.898 -5.933 -3.879 1.00 0.00 H new ATOM 283 N ILE A 19 2.452 -4.258 0.956 1.00 0.00 N ATOM 284 CA ILE A 19 1.371 -4.209 1.924 1.00 0.00 C ATOM 285 C ILE A 19 0.537 -5.479 1.825 1.00 0.00 C ATOM 286 O ILE A 19 0.214 -5.935 0.727 1.00 0.00 O ATOM 287 CB ILE A 19 0.483 -2.959 1.705 1.00 0.00 C ATOM 288 CG1 ILE A 19 1.290 -1.686 1.982 1.00 0.00 C ATOM 289 CG2 ILE A 19 -0.764 -3.008 2.577 1.00 0.00 C ATOM 290 CD1 ILE A 19 0.545 -0.404 1.682 1.00 0.00 C ATOM 0 H ILE A 19 2.174 -4.604 0.037 1.00 0.00 H new ATOM 0 HA ILE A 19 1.802 -4.139 2.923 1.00 0.00 H new ATOM 0 HB ILE A 19 0.157 -2.949 0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.592 -1.681 3.029 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.203 -1.711 1.387 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.367 -2.117 2.401 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.347 -3.895 2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.473 -3.047 3.627 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.185 0.450 1.905 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.266 -0.383 0.629 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.354 -0.353 2.296 1.00 0.00 H new ATOM 302 N LYS A 20 0.210 -6.053 2.970 1.00 0.00 N ATOM 303 CA LYS A 20 -0.504 -7.318 3.017 1.00 0.00 C ATOM 304 C LYS A 20 -1.902 -7.102 3.579 1.00 0.00 C ATOM 305 O LYS A 20 -2.059 -6.666 4.723 1.00 0.00 O ATOM 306 CB LYS A 20 0.303 -8.315 3.863 1.00 0.00 C ATOM 307 CG LYS A 20 -0.222 -9.748 3.870 1.00 0.00 C ATOM 308 CD LYS A 20 -1.377 -9.930 4.839 1.00 0.00 C ATOM 309 CE LYS A 20 -1.811 -11.381 4.935 1.00 0.00 C ATOM 310 NZ LYS A 20 -0.817 -12.222 5.647 1.00 0.00 N ATOM 0 H LYS A 20 0.429 -5.660 3.885 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.615 -7.729 2.014 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.330 -8.325 3.499 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.332 -7.952 4.891 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.546 -10.019 2.865 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.586 -10.428 4.139 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.083 -9.573 5.826 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.221 -9.319 4.517 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.768 -11.438 5.453 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.967 -11.778 3.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.221 -13.164 5.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.040 -12.315 5.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.572 -11.777 6.554 1.00 0.00 H new ATOM 324 N ASP A 21 -2.910 -7.388 2.767 1.00 0.00 N ATOM 325 CA ASP A 21 -4.297 -7.216 3.189 1.00 0.00 C ATOM 326 C ASP A 21 -4.890 -8.534 3.658 1.00 0.00 C ATOM 327 O ASP A 21 -4.265 -9.591 3.552 1.00 0.00 O ATOM 328 CB ASP A 21 -5.172 -6.632 2.073 1.00 0.00 C ATOM 329 CG ASP A 21 -5.301 -7.539 0.868 1.00 0.00 C ATOM 330 OD1 ASP A 21 -4.354 -7.621 0.065 1.00 0.00 O ATOM 331 OD2 ASP A 21 -6.364 -8.169 0.710 1.00 0.00 O ATOM 0 H ASP A 21 -2.797 -7.739 1.816 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.284 -6.508 4.018 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.166 -6.427 2.471 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.753 -5.677 1.756 1.00 0.00 H new ATOM 336 N GLU A 22 -6.109 -8.465 4.158 1.00 0.00 N ATOM 337 CA GLU A 22 -6.756 -9.624 4.750 1.00 0.00 C ATOM 338 C GLU A 22 -7.646 -10.363 3.755 1.00 0.00 C ATOM 339 O GLU A 22 -8.280 -11.363 4.101 1.00 0.00 O ATOM 340 CB GLU A 22 -7.563 -9.208 5.974 1.00 0.00 C ATOM 341 CG GLU A 22 -6.699 -8.811 7.160 1.00 0.00 C ATOM 342 CD GLU A 22 -7.461 -8.839 8.466 1.00 0.00 C ATOM 343 OE1 GLU A 22 -7.851 -9.943 8.904 1.00 0.00 O ATOM 344 OE2 GLU A 22 -7.660 -7.767 9.070 1.00 0.00 O ATOM 0 H GLU A 22 -6.674 -7.616 4.167 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.969 -10.315 5.052 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.208 -8.371 5.707 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.214 -10.031 6.268 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.846 -9.486 7.226 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.301 -7.810 6.997 1.00 0.00 H new ATOM 351 N ASN A 23 -7.676 -9.893 2.521 1.00 0.00 N ATOM 352 CA ASN A 23 -8.505 -10.512 1.496 1.00 0.00 C ATOM 353 C ASN A 23 -7.644 -11.305 0.518 1.00 0.00 C ATOM 354 O ASN A 23 -7.915 -12.475 0.241 1.00 0.00 O ATOM 355 CB ASN A 23 -9.308 -9.442 0.751 1.00 0.00 C ATOM 356 CG ASN A 23 -10.187 -10.015 -0.348 1.00 0.00 C ATOM 357 OD1 ASN A 23 -11.339 -10.378 -0.112 1.00 0.00 O ATOM 358 ND2 ASN A 23 -9.654 -10.087 -1.559 1.00 0.00 N ATOM 0 H ASN A 23 -7.138 -9.087 2.202 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.199 -11.200 1.979 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -9.932 -8.903 1.463 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -8.620 -8.716 0.317 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.203 -10.454 -2.337 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.695 -9.776 -1.713 1.00 0.00 H new ATOM 365 N GLY A 24 -6.600 -10.665 0.009 1.00 0.00 N ATOM 366 CA GLY A 24 -5.760 -11.286 -0.994 1.00 0.00 C ATOM 367 C GLY A 24 -4.448 -11.806 -0.441 1.00 0.00 C ATOM 368 O GLY A 24 -4.356 -12.967 -0.037 1.00 0.00 O ATOM 0 H GLY A 24 -6.319 -9.721 0.275 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.305 -12.111 -1.454 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.552 -10.562 -1.782 1.00 0.00 H new ATOM 372 N ASP A 25 -3.437 -10.946 -0.410 1.00 0.00 N ATOM 373 CA ASP A 25 -2.084 -11.361 -0.055 1.00 0.00 C ATOM 374 C ASP A 25 -1.201 -10.124 0.103 1.00 0.00 C ATOM 375 O ASP A 25 -1.709 -9.010 0.215 1.00 0.00 O ATOM 376 CB ASP A 25 -1.525 -12.262 -1.166 1.00 0.00 C ATOM 377 CG ASP A 25 -0.498 -13.268 -0.678 1.00 0.00 C ATOM 378 OD1 ASP A 25 0.513 -12.861 -0.070 1.00 0.00 O ATOM 379 OD2 ASP A 25 -0.696 -14.479 -0.906 1.00 0.00 O ATOM 0 H ASP A 25 -3.529 -9.954 -0.627 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.100 -11.913 0.885 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.350 -12.797 -1.637 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.071 -11.637 -1.935 1.00 0.00 H new ATOM 384 N ASN A 26 0.108 -10.316 0.115 1.00 0.00 N ATOM 385 CA ASN A 26 1.040 -9.199 0.118 1.00 0.00 C ATOM 386 C ASN A 26 1.213 -8.708 -1.312 1.00 0.00 C ATOM 387 O ASN A 26 1.589 -9.477 -2.201 1.00 0.00 O ATOM 388 CB ASN A 26 2.388 -9.618 0.716 1.00 0.00 C ATOM 389 CG ASN A 26 3.348 -8.454 0.920 1.00 0.00 C ATOM 390 OD1 ASN A 26 3.334 -7.470 0.186 1.00 0.00 O ATOM 391 ND2 ASN A 26 4.199 -8.570 1.926 1.00 0.00 N ATOM 0 H ASN A 26 0.550 -11.235 0.123 1.00 0.00 H new ATOM 0 HA ASN A 26 0.645 -8.393 0.737 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.215 -10.109 1.674 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.855 -10.353 0.061 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.873 -7.827 2.112 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.182 -9.402 2.515 1.00 0.00 H new ATOM 398 N ARG A 27 0.930 -7.441 -1.537 1.00 0.00 N ATOM 399 CA ARG A 27 0.892 -6.897 -2.884 1.00 0.00 C ATOM 400 C ARG A 27 2.025 -5.912 -3.106 1.00 0.00 C ATOM 401 O ARG A 27 2.527 -5.304 -2.159 1.00 0.00 O ATOM 402 CB ARG A 27 -0.446 -6.204 -3.127 1.00 0.00 C ATOM 403 CG ARG A 27 -1.638 -7.040 -2.702 1.00 0.00 C ATOM 404 CD ARG A 27 -2.951 -6.357 -3.035 1.00 0.00 C ATOM 405 NE ARG A 27 -4.091 -7.086 -2.486 1.00 0.00 N ATOM 406 CZ ARG A 27 -5.032 -7.668 -3.220 1.00 0.00 C ATOM 407 NH1 ARG A 27 -4.942 -7.673 -4.550 1.00 0.00 N ATOM 408 NH2 ARG A 27 -6.055 -8.266 -2.620 1.00 0.00 N ATOM 0 H ARG A 27 0.722 -6.764 -0.803 1.00 0.00 H new ATOM 0 HA ARG A 27 1.010 -7.722 -3.587 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.462 -5.259 -2.585 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.537 -5.965 -4.187 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.597 -8.010 -3.197 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.587 -7.227 -1.629 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.944 -5.341 -2.640 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.056 -6.277 -4.117 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.170 -7.153 -1.471 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.147 -7.228 -5.009 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.668 -8.122 -5.109 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.114 -8.276 -1.602 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.782 -8.715 -3.177 1.00 0.00 H new ATOM 422 N TYR A 28 2.426 -5.766 -4.358 1.00 0.00 N ATOM 423 CA TYR A 28 3.431 -4.789 -4.725 1.00 0.00 C ATOM 424 C TYR A 28 2.792 -3.411 -4.832 1.00 0.00 C ATOM 425 O TYR A 28 1.845 -3.211 -5.598 1.00 0.00 O ATOM 426 CB TYR A 28 4.101 -5.174 -6.050 1.00 0.00 C ATOM 427 CG TYR A 28 5.080 -4.141 -6.561 1.00 0.00 C ATOM 428 CD1 TYR A 28 6.356 -4.036 -6.022 1.00 0.00 C ATOM 429 CD2 TYR A 28 4.723 -3.265 -7.580 1.00 0.00 C ATOM 430 CE1 TYR A 28 7.248 -3.086 -6.485 1.00 0.00 C ATOM 431 CE2 TYR A 28 5.607 -2.315 -8.046 1.00 0.00 C ATOM 432 CZ TYR A 28 6.868 -2.229 -7.497 1.00 0.00 C ATOM 433 OH TYR A 28 7.750 -1.278 -7.959 1.00 0.00 O ATOM 0 H TYR A 28 2.067 -6.316 -5.139 1.00 0.00 H new ATOM 0 HA TYR A 28 4.199 -4.766 -3.952 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.622 -6.123 -5.921 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.330 -5.334 -6.803 1.00 0.00 H new ATOM 0 HD1 TYR A 28 6.656 -4.706 -5.230 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.736 -3.330 -8.014 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.237 -3.015 -6.057 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.313 -1.642 -8.837 1.00 0.00 H new ATOM 0 HH TYR A 28 7.428 -0.920 -8.812 1.00 0.00 H new ATOM 443 N PHE A 29 3.291 -2.478 -4.044 1.00 0.00 N ATOM 444 CA PHE A 29 2.787 -1.119 -4.064 1.00 0.00 C ATOM 445 C PHE A 29 3.819 -0.179 -4.666 1.00 0.00 C ATOM 446 O PHE A 29 5.009 -0.491 -4.719 1.00 0.00 O ATOM 447 CB PHE A 29 2.405 -0.657 -2.655 1.00 0.00 C ATOM 448 CG PHE A 29 1.118 -1.252 -2.155 1.00 0.00 C ATOM 449 CD1 PHE A 29 1.016 -2.609 -1.900 1.00 0.00 C ATOM 450 CD2 PHE A 29 0.011 -0.451 -1.942 1.00 0.00 C ATOM 451 CE1 PHE A 29 -0.168 -3.155 -1.446 1.00 0.00 C ATOM 452 CE2 PHE A 29 -1.175 -0.991 -1.487 1.00 0.00 C ATOM 453 CZ PHE A 29 -1.263 -2.344 -1.236 1.00 0.00 C ATOM 0 H PHE A 29 4.048 -2.638 -3.379 1.00 0.00 H new ATOM 0 HA PHE A 29 1.891 -1.099 -4.684 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.208 -0.918 -1.966 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.320 0.430 -2.649 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.872 -3.248 -2.058 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.075 0.610 -2.134 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.236 -4.216 -1.256 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.033 -0.355 -1.328 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.189 -2.768 -0.875 1.00 0.00 H new ATOM 463 N HIS A 30 3.352 0.968 -5.122 1.00 0.00 N ATOM 464 CA HIS A 30 4.210 1.945 -5.764 1.00 0.00 C ATOM 465 C HIS A 30 3.667 3.336 -5.474 1.00 0.00 C ATOM 466 O HIS A 30 2.455 3.515 -5.364 1.00 0.00 O ATOM 467 CB HIS A 30 4.245 1.691 -7.277 1.00 0.00 C ATOM 468 CG HIS A 30 5.461 2.233 -7.978 1.00 0.00 C ATOM 469 ND1 HIS A 30 5.437 3.362 -8.766 1.00 0.00 N ATOM 470 CD2 HIS A 30 6.728 1.763 -8.047 1.00 0.00 C ATOM 471 CE1 HIS A 30 6.623 3.562 -9.294 1.00 0.00 C ATOM 472 NE2 HIS A 30 7.434 2.606 -8.874 1.00 0.00 N ATOM 0 H HIS A 30 2.373 1.247 -5.058 1.00 0.00 H new ATOM 0 HA HIS A 30 5.226 1.863 -5.377 1.00 0.00 H new ATOM 0 HB2 HIS A 30 4.190 0.617 -7.453 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.356 2.133 -7.727 1.00 0.00 H new ATOM 0 HD2 HIS A 30 7.114 0.888 -7.546 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.890 4.370 -9.959 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.419 2.510 -9.122 1.00 0.00 H new ATOM 481 N VAL A 31 4.554 4.316 -5.356 1.00 0.00 N ATOM 482 CA VAL A 31 4.156 5.690 -5.047 1.00 0.00 C ATOM 483 C VAL A 31 3.275 6.282 -6.158 1.00 0.00 C ATOM 484 O VAL A 31 2.661 7.333 -5.995 1.00 0.00 O ATOM 485 CB VAL A 31 5.401 6.584 -4.823 1.00 0.00 C ATOM 486 CG1 VAL A 31 6.172 6.785 -6.121 1.00 0.00 C ATOM 487 CG2 VAL A 31 5.018 7.921 -4.200 1.00 0.00 C ATOM 0 H VAL A 31 5.559 4.187 -5.470 1.00 0.00 H new ATOM 0 HA VAL A 31 3.571 5.663 -4.128 1.00 0.00 H new ATOM 0 HB VAL A 31 6.056 6.068 -4.121 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.041 7.416 -5.934 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.501 5.818 -6.502 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.527 7.264 -6.857 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.914 8.525 -4.056 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.329 8.446 -4.861 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.537 7.749 -3.237 1.00 0.00 H new ATOM 497 N ILE A 32 3.197 5.576 -7.277 1.00 0.00 N ATOM 498 CA ILE A 32 2.431 6.038 -8.428 1.00 0.00 C ATOM 499 C ILE A 32 0.949 5.689 -8.260 1.00 0.00 C ATOM 500 O ILE A 32 0.072 6.280 -8.891 1.00 0.00 O ATOM 501 CB ILE A 32 2.969 5.394 -9.729 1.00 0.00 C ATOM 502 CG1 ILE A 32 2.318 6.023 -10.943 1.00 0.00 C ATOM 503 CG2 ILE A 32 2.691 3.895 -9.739 1.00 0.00 C ATOM 504 CD1 ILE A 32 3.170 5.968 -12.189 1.00 0.00 C ATOM 0 H ILE A 32 3.657 4.676 -7.413 1.00 0.00 H new ATOM 0 HA ILE A 32 2.538 7.121 -8.494 1.00 0.00 H new ATOM 0 HB ILE A 32 4.045 5.564 -9.765 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.372 5.518 -11.139 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.084 7.064 -10.720 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.076 3.460 -10.661 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.181 3.428 -8.885 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.616 3.724 -9.678 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.637 6.438 -13.015 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.106 6.498 -12.013 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.383 4.929 -12.439 1.00 0.00 H new ATOM 516 N LYS A 33 0.691 4.733 -7.383 1.00 0.00 N ATOM 517 CA LYS A 33 -0.646 4.180 -7.191 1.00 0.00 C ATOM 518 C LYS A 33 -1.304 4.723 -5.924 1.00 0.00 C ATOM 519 O LYS A 33 -2.463 4.414 -5.634 1.00 0.00 O ATOM 520 CB LYS A 33 -0.561 2.652 -7.112 1.00 0.00 C ATOM 521 CG LYS A 33 -1.218 1.928 -8.277 1.00 0.00 C ATOM 522 CD LYS A 33 -0.643 2.352 -9.618 1.00 0.00 C ATOM 523 CE LYS A 33 -1.276 1.567 -10.758 1.00 0.00 C ATOM 524 NZ LYS A 33 -0.705 1.929 -12.081 1.00 0.00 N ATOM 0 H LYS A 33 1.401 4.316 -6.782 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.259 4.478 -8.041 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.488 2.360 -7.063 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.028 2.321 -6.184 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.089 0.853 -8.153 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.290 2.124 -8.266 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.812 3.418 -9.769 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.436 2.197 -9.620 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.134 0.500 -10.584 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.351 1.748 -10.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.168 1.368 -12.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.863 2.941 -12.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.316 1.732 -12.084 1.00 0.00 H new ATOM 538 N VAL A 34 -0.568 5.529 -5.171 1.00 0.00 N ATOM 539 CA VAL A 34 -1.054 6.029 -3.889 1.00 0.00 C ATOM 540 C VAL A 34 -1.475 7.494 -4.001 1.00 0.00 C ATOM 541 O VAL A 34 -0.811 8.289 -4.668 1.00 0.00 O ATOM 542 CB VAL A 34 0.016 5.885 -2.785 1.00 0.00 C ATOM 543 CG1 VAL A 34 -0.558 6.256 -1.425 1.00 0.00 C ATOM 544 CG2 VAL A 34 0.581 4.470 -2.764 1.00 0.00 C ATOM 0 H VAL A 34 0.366 5.851 -5.424 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.920 5.426 -3.616 1.00 0.00 H new ATOM 0 HB VAL A 34 0.830 6.574 -3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.213 6.147 -0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.904 7.289 -1.446 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.395 5.598 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.333 4.390 -1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.223 3.760 -2.570 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.038 4.246 -3.728 1.00 0.00 H new ATOM 554 N ALA A 35 -2.585 7.841 -3.355 1.00 0.00 N ATOM 555 CA ALA A 35 -3.104 9.202 -3.397 1.00 0.00 C ATOM 556 C ALA A 35 -2.487 10.066 -2.298 1.00 0.00 C ATOM 557 O ALA A 35 -2.321 11.276 -2.465 1.00 0.00 O ATOM 558 CB ALA A 35 -4.621 9.195 -3.272 1.00 0.00 C ATOM 0 H ALA A 35 -3.142 7.196 -2.795 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.830 9.635 -4.359 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.994 10.219 -3.305 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.051 8.626 -4.096 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.906 8.736 -2.326 1.00 0.00 H new ATOM 564 N ASN A 36 -2.158 9.441 -1.174 1.00 0.00 N ATOM 565 CA ASN A 36 -1.529 10.142 -0.057 1.00 0.00 C ATOM 566 C ASN A 36 -0.322 9.355 0.464 1.00 0.00 C ATOM 567 O ASN A 36 -0.390 8.684 1.494 1.00 0.00 O ATOM 568 CB ASN A 36 -2.552 10.417 1.064 1.00 0.00 C ATOM 569 CG ASN A 36 -3.238 9.167 1.612 1.00 0.00 C ATOM 570 OD1 ASN A 36 -3.377 8.152 0.926 1.00 0.00 O ATOM 571 ND2 ASN A 36 -3.697 9.244 2.855 1.00 0.00 N ATOM 0 H ASN A 36 -2.316 8.447 -1.010 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.167 11.106 -0.415 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.046 10.928 1.883 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.314 11.098 0.685 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.182 8.448 3.270 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.565 10.099 3.395 1.00 0.00 H new ATOM 578 N PRO A 37 0.808 9.431 -0.258 1.00 0.00 N ATOM 579 CA PRO A 37 1.992 8.615 0.029 1.00 0.00 C ATOM 580 C PRO A 37 2.809 9.111 1.221 1.00 0.00 C ATOM 581 O PRO A 37 3.593 8.358 1.793 1.00 0.00 O ATOM 582 CB PRO A 37 2.805 8.729 -1.258 1.00 0.00 C ATOM 583 CG PRO A 37 2.447 10.063 -1.813 1.00 0.00 C ATOM 584 CD PRO A 37 1.014 10.314 -1.424 1.00 0.00 C ATOM 0 HA PRO A 37 1.715 7.597 0.304 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.874 8.657 -1.059 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.556 7.930 -1.956 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.100 10.838 -1.412 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.564 10.077 -2.897 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.846 11.360 -1.169 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.330 10.070 -2.237 1.00 0.00 H new ATOM 592 N ASP A 38 2.622 10.365 1.605 1.00 0.00 N ATOM 593 CA ASP A 38 3.382 10.934 2.704 1.00 0.00 C ATOM 594 C ASP A 38 2.704 10.663 4.033 1.00 0.00 C ATOM 595 O ASP A 38 3.196 11.061 5.088 1.00 0.00 O ATOM 596 CB ASP A 38 3.570 12.430 2.507 1.00 0.00 C ATOM 597 CG ASP A 38 4.758 12.752 1.630 1.00 0.00 C ATOM 598 OD1 ASP A 38 5.901 12.427 2.021 1.00 0.00 O ATOM 599 OD2 ASP A 38 4.561 13.331 0.541 1.00 0.00 O ATOM 0 H ASP A 38 1.954 11.004 1.174 1.00 0.00 H new ATOM 0 HA ASP A 38 4.361 10.456 2.715 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.669 12.851 2.062 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.699 12.908 3.478 1.00 0.00 H new ATOM 604 N LEU A 39 1.566 9.994 3.977 1.00 0.00 N ATOM 605 CA LEU A 39 0.869 9.584 5.173 1.00 0.00 C ATOM 606 C LEU A 39 1.102 8.102 5.418 1.00 0.00 C ATOM 607 O LEU A 39 0.603 7.530 6.386 1.00 0.00 O ATOM 608 CB LEU A 39 -0.622 9.886 5.039 1.00 0.00 C ATOM 609 CG LEU A 39 -0.981 11.376 5.013 1.00 0.00 C ATOM 610 CD1 LEU A 39 -2.486 11.563 4.912 1.00 0.00 C ATOM 611 CD2 LEU A 39 -0.442 12.082 6.249 1.00 0.00 C ATOM 0 H LEU A 39 1.106 9.724 3.108 1.00 0.00 H new ATOM 0 HA LEU A 39 1.254 10.142 6.027 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.990 9.423 4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.149 9.415 5.869 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.517 11.821 4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.720 12.627 4.895 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.850 11.097 3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.969 11.099 5.772 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.708 13.138 6.210 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.874 11.632 7.143 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.643 11.982 6.281 1.00 0.00 H new ATOM 623 N ILE A 40 1.878 7.491 4.534 1.00 0.00 N ATOM 624 CA ILE A 40 2.200 6.081 4.641 1.00 0.00 C ATOM 625 C ILE A 40 3.327 5.858 5.640 1.00 0.00 C ATOM 626 O ILE A 40 4.480 6.224 5.388 1.00 0.00 O ATOM 627 CB ILE A 40 2.613 5.486 3.278 1.00 0.00 C ATOM 628 CG1 ILE A 40 1.473 5.614 2.264 1.00 0.00 C ATOM 629 CG2 ILE A 40 3.022 4.027 3.435 1.00 0.00 C ATOM 630 CD1 ILE A 40 1.797 5.021 0.909 1.00 0.00 C ATOM 0 H ILE A 40 2.298 7.957 3.730 1.00 0.00 H new ATOM 0 HA ILE A 40 1.298 5.576 4.986 1.00 0.00 H new ATOM 0 HB ILE A 40 3.469 6.048 2.905 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.586 5.123 2.663 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.225 6.668 2.140 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.310 3.623 2.464 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.866 3.957 4.122 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.183 3.455 3.831 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.944 5.148 0.243 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.665 5.528 0.488 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.016 3.959 1.020 1.00 0.00 H new ATOM 642 N LYS A 41 2.984 5.281 6.778 1.00 0.00 N ATOM 643 CA LYS A 41 3.972 4.898 7.769 1.00 0.00 C ATOM 644 C LYS A 41 3.934 3.389 7.957 1.00 0.00 C ATOM 645 O LYS A 41 2.917 2.753 7.690 1.00 0.00 O ATOM 646 CB LYS A 41 3.722 5.600 9.107 1.00 0.00 C ATOM 647 CG LYS A 41 3.627 7.114 8.999 1.00 0.00 C ATOM 648 CD LYS A 41 3.627 7.778 10.368 1.00 0.00 C ATOM 649 CE LYS A 41 2.495 7.270 11.248 1.00 0.00 C ATOM 650 NZ LYS A 41 2.493 7.932 12.577 1.00 0.00 N ATOM 0 H LYS A 41 2.022 5.067 7.039 1.00 0.00 H new ATOM 0 HA LYS A 41 4.956 5.203 7.413 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.798 5.218 9.540 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.527 5.344 9.796 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.465 7.490 8.412 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.717 7.384 8.464 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.581 7.592 10.861 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.536 8.857 10.247 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.541 7.447 10.752 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.591 6.192 11.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.708 7.560 13.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.394 7.742 13.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.376 8.958 12.454 1.00 0.00 H new ATOM 664 N LYS A 42 5.035 2.820 8.409 1.00 0.00 N ATOM 665 CA LYS A 42 5.121 1.381 8.587 1.00 0.00 C ATOM 666 C LYS A 42 4.320 0.971 9.827 1.00 0.00 C ATOM 667 O LYS A 42 4.315 1.693 10.829 1.00 0.00 O ATOM 668 CB LYS A 42 6.597 0.964 8.685 1.00 0.00 C ATOM 669 CG LYS A 42 6.854 -0.529 8.531 1.00 0.00 C ATOM 670 CD LYS A 42 6.723 -1.260 9.854 1.00 0.00 C ATOM 671 CE LYS A 42 6.936 -2.756 9.702 1.00 0.00 C ATOM 672 NZ LYS A 42 6.813 -3.463 11.004 1.00 0.00 N ATOM 0 H LYS A 42 5.882 3.330 8.660 1.00 0.00 H new ATOM 0 HA LYS A 42 4.689 0.865 7.730 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.161 1.496 7.919 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.987 1.287 9.650 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.149 -0.947 7.813 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.853 -0.686 8.126 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.449 -0.861 10.562 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.734 -1.076 10.274 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.206 -3.158 8.999 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.923 -2.942 9.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.129 -4.448 10.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.404 -2.987 11.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.820 -3.450 11.314 1.00 0.00 H new ATOM 686 N ASP A 43 3.635 -0.175 9.733 1.00 0.00 N ATOM 687 CA ASP A 43 2.740 -0.679 10.793 1.00 0.00 C ATOM 688 C ASP A 43 1.424 0.092 10.825 1.00 0.00 C ATOM 689 O ASP A 43 0.706 0.074 11.826 1.00 0.00 O ATOM 690 CB ASP A 43 3.395 -0.640 12.184 1.00 0.00 C ATOM 691 CG ASP A 43 4.523 -1.634 12.341 1.00 0.00 C ATOM 692 OD1 ASP A 43 4.303 -2.843 12.098 1.00 0.00 O ATOM 693 OD2 ASP A 43 5.642 -1.213 12.695 1.00 0.00 O ATOM 0 H ASP A 43 3.683 -0.785 8.917 1.00 0.00 H new ATOM 0 HA ASP A 43 2.537 -1.721 10.545 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.776 0.364 12.371 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.636 -0.839 12.941 1.00 0.00 H new ATOM 698 N ALA A 44 1.103 0.759 9.727 1.00 0.00 N ATOM 699 CA ALA A 44 -0.170 1.455 9.605 1.00 0.00 C ATOM 700 C ALA A 44 -1.126 0.655 8.730 1.00 0.00 C ATOM 701 O ALA A 44 -0.708 -0.275 8.031 1.00 0.00 O ATOM 702 CB ALA A 44 0.035 2.852 9.036 1.00 0.00 C ATOM 0 H ALA A 44 1.706 0.833 8.908 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.608 1.553 10.598 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.928 3.356 8.953 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.687 3.422 9.698 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.493 2.779 8.050 1.00 0.00 H new ATOM 708 N ALA A 45 -2.406 1.014 8.764 1.00 0.00 N ATOM 709 CA ALA A 45 -3.411 0.329 7.968 1.00 0.00 C ATOM 710 C ALA A 45 -3.860 1.211 6.813 1.00 0.00 C ATOM 711 O ALA A 45 -4.048 2.419 6.978 1.00 0.00 O ATOM 712 CB ALA A 45 -4.600 -0.061 8.832 1.00 0.00 C ATOM 0 H ALA A 45 -2.769 1.777 9.336 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.970 -0.580 7.560 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.342 -0.573 8.220 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.268 -0.725 9.630 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.043 0.835 9.267 1.00 0.00 H new ATOM 718 N VAL A 46 -4.007 0.613 5.643 1.00 0.00 N ATOM 719 CA VAL A 46 -4.444 1.346 4.463 1.00 0.00 C ATOM 720 C VAL A 46 -5.623 0.660 3.785 1.00 0.00 C ATOM 721 O VAL A 46 -5.920 -0.506 4.051 1.00 0.00 O ATOM 722 CB VAL A 46 -3.310 1.513 3.429 1.00 0.00 C ATOM 723 CG1 VAL A 46 -2.229 2.439 3.955 1.00 0.00 C ATOM 724 CG2 VAL A 46 -2.720 0.163 3.053 1.00 0.00 C ATOM 0 H VAL A 46 -3.830 -0.379 5.483 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.748 2.331 4.818 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.736 1.963 2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.442 2.540 3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.659 3.419 4.164 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.809 2.024 4.871 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.923 0.305 2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.315 -0.318 3.944 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.498 -0.467 2.622 1.00 0.00 H new ATOM 734 N THR A 47 -6.286 1.406 2.915 1.00 0.00 N ATOM 735 CA THR A 47 -7.383 0.889 2.114 1.00 0.00 C ATOM 736 C THR A 47 -7.093 1.124 0.640 1.00 0.00 C ATOM 737 O THR A 47 -6.617 2.198 0.257 1.00 0.00 O ATOM 738 CB THR A 47 -8.727 1.550 2.488 1.00 0.00 C ATOM 739 OG1 THR A 47 -8.566 2.974 2.594 1.00 0.00 O ATOM 740 CG2 THR A 47 -9.261 0.991 3.798 1.00 0.00 C ATOM 0 H THR A 47 -6.077 2.390 2.745 1.00 0.00 H new ATOM 0 HA THR A 47 -7.468 -0.179 2.314 1.00 0.00 H new ATOM 0 HB THR A 47 -9.446 1.328 1.699 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.424 3.384 2.830 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.209 1.473 4.040 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.415 -0.084 3.699 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.543 1.183 4.595 1.00 0.00 H new ATOM 748 N PHE A 48 -7.361 0.125 -0.180 1.00 0.00 N ATOM 749 CA PHE A 48 -7.020 0.191 -1.592 1.00 0.00 C ATOM 750 C PHE A 48 -7.896 -0.739 -2.410 1.00 0.00 C ATOM 751 O PHE A 48 -8.625 -1.564 -1.858 1.00 0.00 O ATOM 752 CB PHE A 48 -5.551 -0.191 -1.790 1.00 0.00 C ATOM 753 CG PHE A 48 -5.146 -1.430 -1.028 1.00 0.00 C ATOM 754 CD1 PHE A 48 -5.444 -2.695 -1.514 1.00 0.00 C ATOM 755 CD2 PHE A 48 -4.473 -1.326 0.181 1.00 0.00 C ATOM 756 CE1 PHE A 48 -5.080 -3.828 -0.811 1.00 0.00 C ATOM 757 CE2 PHE A 48 -4.110 -2.457 0.889 1.00 0.00 C ATOM 758 CZ PHE A 48 -4.412 -3.709 0.390 1.00 0.00 C ATOM 0 H PHE A 48 -7.814 -0.743 0.106 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.186 1.213 -1.932 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.364 -0.349 -2.852 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.921 0.642 -1.476 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.967 -2.796 -2.454 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.230 -0.350 0.574 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.318 -4.806 -1.202 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.591 -2.361 1.831 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.126 -4.594 0.939 1.00 0.00 H new ATOM 768 N GLU A 49 -7.810 -0.608 -3.724 1.00 0.00 N ATOM 769 CA GLU A 49 -8.493 -1.523 -4.616 1.00 0.00 C ATOM 770 C GLU A 49 -7.539 -2.652 -4.997 1.00 0.00 C ATOM 771 O GLU A 49 -6.350 -2.415 -5.236 1.00 0.00 O ATOM 772 CB GLU A 49 -8.954 -0.787 -5.876 1.00 0.00 C ATOM 773 CG GLU A 49 -9.928 0.352 -5.616 1.00 0.00 C ATOM 774 CD GLU A 49 -11.311 -0.131 -5.235 1.00 0.00 C ATOM 775 OE1 GLU A 49 -12.053 -0.587 -6.131 1.00 0.00 O ATOM 776 OE2 GLU A 49 -11.674 -0.037 -4.050 1.00 0.00 O ATOM 0 H GLU A 49 -7.274 0.122 -4.193 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.368 -1.933 -4.113 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.079 -0.391 -6.391 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.423 -1.504 -6.550 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.536 0.983 -4.818 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.999 0.974 -6.509 1.00 0.00 H new ATOM 783 N PRO A 50 -8.043 -3.887 -5.077 1.00 0.00 N ATOM 784 CA PRO A 50 -7.237 -5.060 -5.398 1.00 0.00 C ATOM 785 C PRO A 50 -7.046 -5.263 -6.899 1.00 0.00 C ATOM 786 O PRO A 50 -7.989 -5.138 -7.682 1.00 0.00 O ATOM 787 CB PRO A 50 -8.050 -6.225 -4.807 1.00 0.00 C ATOM 788 CG PRO A 50 -9.261 -5.610 -4.175 1.00 0.00 C ATOM 789 CD PRO A 50 -9.427 -4.260 -4.806 1.00 0.00 C ATOM 0 HA PRO A 50 -6.227 -4.969 -4.998 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.334 -6.935 -5.584 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.464 -6.775 -4.071 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -10.143 -6.228 -4.342 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.134 -5.522 -3.096 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.025 -4.305 -5.717 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.918 -3.553 -4.137 1.00 0.00 H new ATOM 797 N THR A 51 -5.814 -5.565 -7.292 1.00 0.00 N ATOM 798 CA THR A 51 -5.511 -5.939 -8.665 1.00 0.00 C ATOM 799 C THR A 51 -4.299 -6.865 -8.686 1.00 0.00 C ATOM 800 O THR A 51 -3.803 -7.284 -7.634 1.00 0.00 O ATOM 801 CB THR A 51 -5.259 -4.702 -9.563 1.00 0.00 C ATOM 802 OG1 THR A 51 -5.233 -5.094 -10.944 1.00 0.00 O ATOM 803 CG2 THR A 51 -3.949 -4.008 -9.211 1.00 0.00 C ATOM 0 H THR A 51 -5.004 -5.557 -6.672 1.00 0.00 H new ATOM 0 HA THR A 51 -6.379 -6.459 -9.071 1.00 0.00 H new ATOM 0 HB THR A 51 -6.074 -4.000 -9.391 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.075 -4.306 -11.505 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.808 -3.146 -9.862 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.980 -3.677 -8.173 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.121 -4.704 -9.346 1.00 0.00 H new ATOM 811 N THR A 52 -3.837 -7.197 -9.871 1.00 0.00 N ATOM 812 CA THR A 52 -2.682 -8.057 -10.014 1.00 0.00 C ATOM 813 C THR A 52 -1.625 -7.402 -10.900 1.00 0.00 C ATOM 814 O THR A 52 -1.791 -6.273 -11.364 1.00 0.00 O ATOM 815 CB THR A 52 -3.080 -9.435 -10.590 1.00 0.00 C ATOM 816 OG1 THR A 52 -1.992 -10.359 -10.490 1.00 0.00 O ATOM 817 CG2 THR A 52 -3.515 -9.319 -12.042 1.00 0.00 C ATOM 0 H THR A 52 -4.244 -6.884 -10.752 1.00 0.00 H new ATOM 0 HA THR A 52 -2.260 -8.210 -9.021 1.00 0.00 H new ATOM 0 HB THR A 52 -3.920 -9.805 -10.002 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.264 -11.225 -10.858 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.789 -10.304 -12.420 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.374 -8.652 -12.112 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.694 -8.918 -12.637 1.00 0.00 H new ATOM 825 N ASN A 53 -0.554 -8.130 -11.123 1.00 0.00 N ATOM 826 CA ASN A 53 0.573 -7.665 -11.914 1.00 0.00 C ATOM 827 C ASN A 53 1.157 -8.856 -12.659 1.00 0.00 C ATOM 828 O ASN A 53 0.569 -9.939 -12.655 1.00 0.00 O ATOM 829 CB ASN A 53 1.629 -7.031 -11.006 1.00 0.00 C ATOM 830 CG ASN A 53 2.590 -6.156 -11.778 1.00 0.00 C ATOM 831 OD1 ASN A 53 3.664 -6.597 -12.186 1.00 0.00 O ATOM 832 ND2 ASN A 53 2.193 -4.917 -12.003 1.00 0.00 N ATOM 0 H ASN A 53 -0.436 -9.075 -10.757 1.00 0.00 H new ATOM 0 HA ASN A 53 0.245 -6.908 -12.626 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.136 -6.437 -10.237 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.185 -7.816 -10.494 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.786 -4.280 -12.536 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.294 -4.597 -11.644 1.00 0.00 H new ATOM 839 N ASN A 54 2.301 -8.677 -13.292 1.00 0.00 N ATOM 840 CA ASN A 54 2.952 -9.771 -13.988 1.00 0.00 C ATOM 841 C ASN A 54 3.801 -10.578 -13.011 1.00 0.00 C ATOM 842 O ASN A 54 4.019 -11.774 -13.199 1.00 0.00 O ATOM 843 CB ASN A 54 3.832 -9.238 -15.118 1.00 0.00 C ATOM 844 CG ASN A 54 4.325 -10.334 -16.048 1.00 0.00 C ATOM 845 OD1 ASN A 54 3.457 -11.281 -16.372 1.00 0.00 O flip ATOM 846 ND2 ASN A 54 5.469 -10.310 -16.498 1.00 0.00 N flip ATOM 0 H ASN A 54 2.798 -7.787 -13.339 1.00 0.00 H new ATOM 0 HA ASN A 54 2.184 -10.415 -14.416 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.269 -8.504 -15.695 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.689 -8.718 -14.690 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.109 -9.564 -16.225 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.778 -11.036 -17.144 1.00 0.00 H new ATOM 853 N LYS A 55 4.261 -9.918 -11.955 1.00 0.00 N ATOM 854 CA LYS A 55 5.185 -10.523 -11.016 1.00 0.00 C ATOM 855 C LYS A 55 4.519 -10.833 -9.672 1.00 0.00 C ATOM 856 O LYS A 55 5.168 -11.330 -8.749 1.00 0.00 O ATOM 857 CB LYS A 55 6.363 -9.575 -10.822 1.00 0.00 C ATOM 858 CG LYS A 55 7.143 -9.322 -12.103 1.00 0.00 C ATOM 859 CD LYS A 55 8.139 -8.187 -11.947 1.00 0.00 C ATOM 860 CE LYS A 55 8.848 -7.900 -13.260 1.00 0.00 C ATOM 861 NZ LYS A 55 9.737 -6.713 -13.164 1.00 0.00 N ATOM 0 H LYS A 55 4.004 -8.957 -11.730 1.00 0.00 H new ATOM 0 HA LYS A 55 5.526 -11.475 -11.422 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.997 -8.625 -10.433 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.035 -9.989 -10.070 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.671 -10.231 -12.391 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.449 -9.087 -12.910 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.623 -7.290 -11.605 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.872 -8.444 -11.182 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.435 -8.770 -13.553 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.108 -7.737 -14.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.201 -6.552 -14.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.173 -5.877 -12.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.459 -6.878 -12.434 1.00 0.00 H new ATOM 875 N GLY A 56 3.227 -10.551 -9.565 1.00 0.00 N ATOM 876 CA GLY A 56 2.509 -10.803 -8.329 1.00 0.00 C ATOM 877 C GLY A 56 1.238 -9.988 -8.251 1.00 0.00 C ATOM 878 O GLY A 56 0.745 -9.525 -9.271 1.00 0.00 O ATOM 0 H GLY A 56 2.661 -10.151 -10.314 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.268 -11.863 -8.257 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.149 -10.563 -7.480 1.00 0.00 H new ATOM 882 N LEU A 57 0.701 -9.818 -7.053 1.00 0.00 N ATOM 883 CA LEU A 57 -0.485 -8.998 -6.859 1.00 0.00 C ATOM 884 C LEU A 57 -0.097 -7.541 -6.641 1.00 0.00 C ATOM 885 O LEU A 57 1.039 -7.238 -6.277 1.00 0.00 O ATOM 886 CB LEU A 57 -1.297 -9.508 -5.666 1.00 0.00 C ATOM 887 CG LEU A 57 -1.997 -10.855 -5.869 1.00 0.00 C ATOM 888 CD1 LEU A 57 -2.745 -11.259 -4.609 1.00 0.00 C ATOM 889 CD2 LEU A 57 -2.949 -10.789 -7.051 1.00 0.00 C ATOM 0 H LEU A 57 1.068 -10.238 -6.199 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.099 -9.066 -7.757 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.633 -9.590 -4.806 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.051 -8.761 -5.417 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.238 -11.609 -6.079 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.237 -12.218 -4.770 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.042 -11.346 -3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.493 -10.503 -4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.437 -11.755 -7.180 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.703 -10.023 -6.869 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.391 -10.541 -7.954 1.00 0.00 H new ATOM 901 N SER A 58 -1.040 -6.645 -6.878 1.00 0.00 N ATOM 902 CA SER A 58 -0.806 -5.221 -6.743 1.00 0.00 C ATOM 903 C SER A 58 -2.080 -4.519 -6.289 1.00 0.00 C ATOM 904 O SER A 58 -3.150 -5.128 -6.241 1.00 0.00 O ATOM 905 CB SER A 58 -0.326 -4.634 -8.066 1.00 0.00 C ATOM 906 OG SER A 58 0.696 -5.433 -8.633 1.00 0.00 O ATOM 0 H SER A 58 -1.988 -6.886 -7.169 1.00 0.00 H new ATOM 0 HA SER A 58 -0.032 -5.066 -5.991 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.163 -4.560 -8.761 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.045 -3.622 -7.906 1.00 0.00 H new ATOM 0 HG SER A 58 1.343 -4.859 -9.094 1.00 0.00 H new ATOM 912 N ALA A 59 -1.961 -3.261 -5.910 1.00 0.00 N ATOM 913 CA ALA A 59 -3.120 -2.485 -5.497 1.00 0.00 C ATOM 914 C ALA A 59 -3.058 -1.075 -6.065 1.00 0.00 C ATOM 915 O ALA A 59 -1.975 -0.540 -6.299 1.00 0.00 O ATOM 916 CB ALA A 59 -3.214 -2.443 -3.986 1.00 0.00 C ATOM 0 H ALA A 59 -1.077 -2.753 -5.879 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.014 -2.970 -5.889 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.086 -1.859 -3.692 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.309 -3.458 -3.599 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.314 -1.982 -3.578 1.00 0.00 H new ATOM 922 N TYR A 60 -4.223 -0.483 -6.288 1.00 0.00 N ATOM 923 CA TYR A 60 -4.305 0.878 -6.797 1.00 0.00 C ATOM 924 C TYR A 60 -5.303 1.684 -5.991 1.00 0.00 C ATOM 925 O TYR A 60 -6.045 1.129 -5.177 1.00 0.00 O ATOM 926 CB TYR A 60 -4.688 0.909 -8.283 1.00 0.00 C ATOM 927 CG TYR A 60 -5.976 0.184 -8.622 1.00 0.00 C ATOM 928 CD1 TYR A 60 -6.006 -1.199 -8.751 1.00 0.00 C ATOM 929 CD2 TYR A 60 -7.158 0.885 -8.827 1.00 0.00 C ATOM 930 CE1 TYR A 60 -7.175 -1.862 -9.068 1.00 0.00 C ATOM 931 CE2 TYR A 60 -8.332 0.229 -9.142 1.00 0.00 C ATOM 932 CZ TYR A 60 -8.335 -1.144 -9.262 1.00 0.00 C ATOM 933 OH TYR A 60 -9.502 -1.802 -9.576 1.00 0.00 O ATOM 0 H TYR A 60 -5.127 -0.926 -6.124 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.315 1.323 -6.697 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.778 1.948 -8.599 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.876 0.469 -8.862 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.099 -1.766 -8.601 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.159 1.961 -8.739 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.180 -2.938 -9.163 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.243 0.789 -9.293 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.227 -1.151 -9.679 1.00 0.00 H new ATOM 943 N ALA A 61 -5.316 2.990 -6.244 1.00 0.00 N ATOM 944 CA ALA A 61 -6.158 3.922 -5.498 1.00 0.00 C ATOM 945 C ALA A 61 -5.928 3.755 -4.000 1.00 0.00 C ATOM 946 O ALA A 61 -6.869 3.663 -3.215 1.00 0.00 O ATOM 947 CB ALA A 61 -7.629 3.719 -5.853 1.00 0.00 C ATOM 0 H ALA A 61 -4.747 3.430 -6.967 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.885 4.940 -5.775 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.240 4.422 -5.287 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.773 3.890 -6.920 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.926 2.700 -5.606 1.00 0.00 H new ATOM 953 N VAL A 62 -4.658 3.721 -3.615 1.00 0.00 N ATOM 954 CA VAL A 62 -4.286 3.462 -2.235 1.00 0.00 C ATOM 955 C VAL A 62 -4.448 4.711 -1.380 1.00 0.00 C ATOM 956 O VAL A 62 -3.845 5.753 -1.657 1.00 0.00 O ATOM 957 CB VAL A 62 -2.829 2.966 -2.137 1.00 0.00 C ATOM 958 CG1 VAL A 62 -2.490 2.556 -0.710 1.00 0.00 C ATOM 959 CG2 VAL A 62 -2.591 1.816 -3.105 1.00 0.00 C ATOM 0 H VAL A 62 -3.868 3.870 -4.243 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.954 2.685 -1.862 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.168 3.787 -2.414 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.457 2.210 -0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.614 3.412 -0.046 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.156 1.753 -0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.558 1.479 -3.022 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.262 0.992 -2.863 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.782 2.153 -4.124 1.00 0.00 H new ATOM 969 N LYS A 63 -5.287 4.604 -0.359 1.00 0.00 N ATOM 970 CA LYS A 63 -5.463 5.667 0.608 1.00 0.00 C ATOM 971 C LYS A 63 -5.173 5.156 2.012 1.00 0.00 C ATOM 972 O LYS A 63 -5.727 4.137 2.443 1.00 0.00 O ATOM 973 CB LYS A 63 -6.881 6.239 0.553 1.00 0.00 C ATOM 974 CG LYS A 63 -7.095 7.318 -0.502 1.00 0.00 C ATOM 975 CD LYS A 63 -7.293 6.739 -1.893 1.00 0.00 C ATOM 976 CE LYS A 63 -8.548 5.885 -1.976 1.00 0.00 C ATOM 977 NZ LYS A 63 -9.783 6.662 -1.690 1.00 0.00 N ATOM 0 H LYS A 63 -5.861 3.779 -0.182 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.761 6.462 0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.579 5.424 0.365 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.129 6.652 1.531 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.965 7.917 -0.234 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.236 7.989 -0.510 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.357 7.550 -2.619 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.425 6.137 -2.163 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.620 5.446 -2.971 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.470 5.059 -1.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.616 6.099 -1.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.824 6.887 -0.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.773 7.544 -2.240 1.00 0.00 H new ATOM 991 N VAL A 64 -4.298 5.859 2.712 1.00 0.00 N ATOM 992 CA VAL A 64 -3.964 5.520 4.092 1.00 0.00 C ATOM 993 C VAL A 64 -5.171 5.756 4.998 1.00 0.00 C ATOM 994 O VAL A 64 -6.043 6.568 4.674 1.00 0.00 O ATOM 995 CB VAL A 64 -2.769 6.360 4.597 1.00 0.00 C ATOM 996 CG1 VAL A 64 -2.273 5.861 5.950 1.00 0.00 C ATOM 997 CG2 VAL A 64 -1.644 6.349 3.578 1.00 0.00 C ATOM 0 H VAL A 64 -3.802 6.673 2.348 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.686 4.467 4.121 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.112 7.387 4.727 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.432 6.473 6.277 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.079 5.930 6.681 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.953 4.823 5.860 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.811 6.945 3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.312 5.324 3.414 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.000 6.770 2.638 1.00 0.00 H new ATOM 1007 N VAL A 65 -5.228 5.044 6.119 1.00 0.00 N ATOM 1008 CA VAL A 65 -6.333 5.180 7.058 1.00 0.00 C ATOM 1009 C VAL A 65 -5.871 5.823 8.373 1.00 0.00 C ATOM 1010 O VAL A 65 -5.511 5.130 9.329 1.00 0.00 O ATOM 1011 CB VAL A 65 -6.988 3.810 7.346 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -8.089 3.924 8.392 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -7.530 3.204 6.062 1.00 0.00 C ATOM 0 H VAL A 65 -4.519 4.366 6.399 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.073 5.833 6.595 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.219 3.151 7.750 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.526 2.941 8.568 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.669 4.307 9.322 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.861 4.606 8.035 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.988 2.239 6.280 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.276 3.871 5.631 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.714 3.066 5.352 1.00 0.00 H new ATOM 1023 N PRO A 66 -5.815 7.164 8.413 1.00 0.00 N ATOM 1024 CA PRO A 66 -5.542 7.914 9.622 1.00 0.00 C ATOM 1025 C PRO A 66 -6.817 8.493 10.245 1.00 0.00 C ATOM 1026 O PRO A 66 -7.756 8.869 9.537 1.00 0.00 O ATOM 1027 CB PRO A 66 -4.647 9.038 9.097 1.00 0.00 C ATOM 1028 CG PRO A 66 -5.023 9.217 7.650 1.00 0.00 C ATOM 1029 CD PRO A 66 -5.948 8.077 7.277 1.00 0.00 C ATOM 0 HA PRO A 66 -5.097 7.306 10.410 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.804 9.959 9.659 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.593 8.779 9.198 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.516 10.177 7.498 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.134 9.212 7.019 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.976 8.416 7.149 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.650 7.604 6.341 1.00 0.00 H new ATOM 1037 N LEU A 67 -6.852 8.575 11.565 1.00 0.00 N ATOM 1038 CA LEU A 67 -7.998 9.156 12.254 1.00 0.00 C ATOM 1039 C LEU A 67 -7.732 10.621 12.579 1.00 0.00 C ATOM 1040 O LEU A 67 -7.864 11.068 13.718 1.00 0.00 O ATOM 1041 CB LEU A 67 -8.356 8.364 13.521 1.00 0.00 C ATOM 1042 CG LEU A 67 -7.246 8.197 14.570 1.00 0.00 C ATOM 1043 CD1 LEU A 67 -7.850 7.831 15.916 1.00 0.00 C ATOM 1044 CD2 LEU A 67 -6.247 7.128 14.150 1.00 0.00 C ATOM 0 H LEU A 67 -6.106 8.249 12.180 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.858 9.100 11.586 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.205 8.853 13.999 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.690 7.371 13.218 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.718 9.147 14.653 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.055 7.715 16.652 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.529 8.621 16.237 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.400 6.894 15.825 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.474 7.033 14.912 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.762 6.174 14.034 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.789 7.410 13.202 1.00 0.00 H new ATOM 1056 N GLU A 68 -7.356 11.356 11.551 1.00 0.00 N ATOM 1057 CA GLU A 68 -7.075 12.775 11.670 1.00 0.00 C ATOM 1058 C GLU A 68 -7.459 13.475 10.372 1.00 0.00 C ATOM 1059 O GLU A 68 -6.940 13.142 9.304 1.00 0.00 O ATOM 1060 CB GLU A 68 -5.591 12.993 11.980 1.00 0.00 C ATOM 1061 CG GLU A 68 -5.253 14.418 12.386 1.00 0.00 C ATOM 1062 CD GLU A 68 -6.006 14.862 13.625 1.00 0.00 C ATOM 1063 OE1 GLU A 68 -5.589 14.492 14.742 1.00 0.00 O ATOM 1064 OE2 GLU A 68 -7.018 15.582 13.487 1.00 0.00 O ATOM 0 H GLU A 68 -7.236 10.987 10.608 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.660 13.195 12.488 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.293 12.316 12.781 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.003 12.726 11.102 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.181 14.496 12.569 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.486 15.092 11.562 1.00 0.00 H new ATOM 1071 N HIS A 69 -8.375 14.429 10.460 1.00 0.00 N ATOM 1072 CA HIS A 69 -8.909 15.090 9.276 1.00 0.00 C ATOM 1073 C HIS A 69 -8.121 16.348 8.929 1.00 0.00 C ATOM 1074 O HIS A 69 -7.979 17.260 9.749 1.00 0.00 O ATOM 1075 CB HIS A 69 -10.380 15.457 9.477 1.00 0.00 C ATOM 1076 CG HIS A 69 -11.278 14.281 9.693 1.00 0.00 C ATOM 1077 ND1 HIS A 69 -12.335 14.296 10.573 1.00 0.00 N ATOM 1078 CD2 HIS A 69 -11.281 13.053 9.126 1.00 0.00 C ATOM 1079 CE1 HIS A 69 -12.948 13.129 10.541 1.00 0.00 C ATOM 1080 NE2 HIS A 69 -12.330 12.355 9.669 1.00 0.00 N ATOM 0 H HIS A 69 -8.765 14.764 11.341 1.00 0.00 H new ATOM 0 HA HIS A 69 -8.818 14.385 8.450 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.463 16.126 10.334 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -10.728 16.011 8.605 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -10.586 12.689 8.383 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -13.811 12.853 11.129 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -12.589 11.396 9.437 1.00 0.00 H new ATOM 1089 N HIS A 70 -7.622 16.387 7.706 1.00 0.00 N ATOM 1090 CA HIS A 70 -6.944 17.559 7.177 1.00 0.00 C ATOM 1091 C HIS A 70 -7.987 18.499 6.579 1.00 0.00 C ATOM 1092 O HIS A 70 -8.527 18.213 5.510 1.00 0.00 O ATOM 1093 CB HIS A 70 -5.937 17.120 6.105 1.00 0.00 C ATOM 1094 CG HIS A 70 -4.943 18.165 5.697 1.00 0.00 C ATOM 1095 ND1 HIS A 70 -5.056 18.910 4.544 1.00 0.00 N ATOM 1096 CD2 HIS A 70 -3.783 18.553 6.277 1.00 0.00 C ATOM 1097 CE1 HIS A 70 -4.010 19.706 4.432 1.00 0.00 C ATOM 1098 NE2 HIS A 70 -3.219 19.512 5.468 1.00 0.00 N ATOM 0 H HIS A 70 -7.675 15.607 7.051 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.405 18.079 7.969 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.394 16.250 6.474 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -6.488 16.801 5.221 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -3.375 18.178 7.204 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.832 20.401 3.625 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -2.336 19.993 5.641 1.00 0.00 H new ATOM 1107 N HIS A 71 -8.289 19.596 7.282 1.00 0.00 N ATOM 1108 CA HIS A 71 -9.347 20.523 6.860 1.00 0.00 C ATOM 1109 C HIS A 71 -9.184 20.904 5.390 1.00 0.00 C ATOM 1110 O HIS A 71 -8.079 21.206 4.930 1.00 0.00 O ATOM 1111 CB HIS A 71 -9.385 21.775 7.752 1.00 0.00 C ATOM 1112 CG HIS A 71 -8.192 22.670 7.634 1.00 0.00 C ATOM 1113 ND1 HIS A 71 -8.180 23.797 6.849 1.00 0.00 N ATOM 1114 CD2 HIS A 71 -6.976 22.609 8.219 1.00 0.00 C ATOM 1115 CE1 HIS A 71 -7.010 24.391 6.954 1.00 0.00 C ATOM 1116 NE2 HIS A 71 -6.258 23.692 7.780 1.00 0.00 N ATOM 0 H HIS A 71 -7.817 19.864 8.145 1.00 0.00 H new ATOM 0 HA HIS A 71 -10.301 20.009 6.973 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -10.278 22.350 7.508 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -9.483 21.460 8.791 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.633 21.849 8.905 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -6.716 25.299 6.448 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -5.300 23.919 8.048 1.00 0.00 H new ATOM 1125 N HIS A 72 -10.286 20.873 4.655 1.00 0.00 N ATOM 1126 CA HIS A 72 -10.233 20.971 3.201 1.00 0.00 C ATOM 1127 C HIS A 72 -10.700 22.331 2.699 1.00 0.00 C ATOM 1128 O HIS A 72 -11.563 22.968 3.301 1.00 0.00 O ATOM 1129 CB HIS A 72 -11.109 19.889 2.554 1.00 0.00 C ATOM 1130 CG HIS A 72 -10.783 18.487 2.970 1.00 0.00 C ATOM 1131 ND1 HIS A 72 -11.558 17.773 3.857 1.00 0.00 N ATOM 1132 CD2 HIS A 72 -9.778 17.660 2.601 1.00 0.00 C ATOM 1133 CE1 HIS A 72 -11.045 16.568 4.017 1.00 0.00 C ATOM 1134 NE2 HIS A 72 -9.964 16.471 3.265 1.00 0.00 N ATOM 0 H HIS A 72 -11.226 20.781 5.039 1.00 0.00 H new ATOM 0 HA HIS A 72 -9.189 20.833 2.920 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -12.152 20.092 2.797 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -11.014 19.963 1.471 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -8.978 17.891 1.913 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -11.442 15.792 4.655 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -9.365 15.649 3.189 1.00 0.00 H new ATOM 1143 N HIS A 73 -10.089 22.771 1.612 1.00 0.00 N ATOM 1144 CA HIS A 73 -10.622 23.863 0.804 1.00 0.00 C ATOM 1145 C HIS A 73 -10.853 23.350 -0.607 1.00 0.00 C ATOM 1146 O HIS A 73 -11.779 23.765 -1.303 1.00 0.00 O ATOM 1147 CB HIS A 73 -9.675 25.069 0.774 1.00 0.00 C ATOM 1148 CG HIS A 73 -9.947 26.082 1.844 1.00 0.00 C ATOM 1149 ND1 HIS A 73 -9.252 27.265 1.950 1.00 0.00 N ATOM 1150 CD2 HIS A 73 -10.848 26.086 2.852 1.00 0.00 C ATOM 1151 CE1 HIS A 73 -9.712 27.953 2.978 1.00 0.00 C ATOM 1152 NE2 HIS A 73 -10.683 27.259 3.542 1.00 0.00 N ATOM 0 H HIS A 73 -9.212 22.385 1.263 1.00 0.00 H new ATOM 0 HA HIS A 73 -11.558 24.201 1.249 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -8.649 24.715 0.875 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -9.751 25.554 -0.199 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -11.565 25.309 3.073 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -9.355 28.919 3.303 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -11.222 27.548 4.358 1.00 0.00 H new ATOM 1161 N HIS A 74 -9.987 22.435 -1.010 1.00 0.00 N ATOM 1162 CA HIS A 74 -10.111 21.730 -2.269 1.00 0.00 C ATOM 1163 C HIS A 74 -9.906 20.245 -2.019 1.00 0.00 C ATOM 1164 O HIS A 74 -8.763 19.850 -1.722 1.00 0.00 O ATOM 1165 CB HIS A 74 -9.086 22.246 -3.286 1.00 0.00 C ATOM 1166 CG HIS A 74 -9.049 21.460 -4.561 1.00 0.00 C ATOM 1167 ND1 HIS A 74 -8.029 20.590 -4.874 1.00 0.00 N ATOM 1168 CD2 HIS A 74 -9.909 21.419 -5.604 1.00 0.00 C ATOM 1169 CE1 HIS A 74 -8.265 20.048 -6.054 1.00 0.00 C ATOM 1170 NE2 HIS A 74 -9.401 20.533 -6.517 1.00 0.00 N ATOM 1171 OXT HIS A 74 -10.886 19.485 -2.103 1.00 0.00 O ATOM 0 H HIS A 74 -9.170 22.160 -0.464 1.00 0.00 H new ATOM 0 HA HIS A 74 -11.105 21.902 -2.683 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -9.311 23.287 -3.518 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -8.096 22.228 -2.831 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -10.826 21.981 -5.699 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -7.635 19.329 -6.556 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -9.831 20.288 -7.409 1.00 0.00 H new TER 1180 HIS A 74