USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 873 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 111 THR OG1 : rot 2:sc= 0.127 USER MOD Set 1.2: A 142 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 72 THR OG1 : rot 172:sc= 0.457 USER MOD Set 2.2: A 122 TYR OH : rot 40:sc= 0.386 USER MOD Set 3.1: A 71 GLN : amide:sc= 0.145 X(o=0.3,f=-0.084) USER MOD Set 3.2: A 73 SER OG : rot 77:sc= 0.151 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -170:sc= 1.14 (180deg=0.831) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 104:sc= 0.352 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 171:sc= 1.26 (180deg=1.11) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0734 USER MOD Single : A 81 GLN : amide:sc= -0.847 X(o=-0.85,f=-1.2) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc=-0.000866 X(o=-0.00087,f=-0.25) USER MOD Single : A 102 SER OG : rot -84:sc= 0.249 USER MOD Single : A 106 MET CE :methyl 180:sc= -0.003 (180deg=-0.003) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot -96:sc= 0.992 USER MOD Single : A 118 SER OG : rot 110:sc= -0.0624 USER MOD Single : A 119 LYS NZ :NH3+ 154:sc= 0.945 (180deg=-0.696!) USER MOD Single : A 120 TYR OH : rot 15:sc= 0 USER MOD Single : A 121 CYS SG : rot -66:sc= -0.331 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 138 CYS SG : rot -19:sc=-0.00917 USER MOD Single : A 144 LYS NZ :NH3+ -150:sc= 1.13 (180deg=-0.252!) USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N GLU A 35 -3.474 22.596 -1.597 1.00 0.00 N ATOM 43 CA GLU A 35 -2.729 21.303 -1.519 1.00 0.00 C ATOM 44 C GLU A 35 -3.549 19.964 -1.660 1.00 0.00 C ATOM 45 O GLU A 35 -4.727 19.958 -2.039 1.00 0.00 O ATOM 46 CB GLU A 35 -1.631 21.371 -0.395 1.00 0.00 C ATOM 47 CG GLU A 35 -0.166 21.292 -0.906 1.00 0.00 C ATOM 48 CD GLU A 35 0.210 20.029 -1.660 1.00 0.00 C ATOM 49 OE1 GLU A 35 0.647 19.042 -1.038 1.00 0.00 O ATOM 50 OE2 GLU A 35 0.079 20.002 -2.899 1.00 0.00 O ATOM 0 HA GLU A 35 -2.199 21.205 -2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.757 22.301 0.160 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.800 20.555 0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.017 22.147 -1.556 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.502 21.393 -0.051 1.00 0.00 H new ATOM 57 N TRP A 36 -2.862 18.827 -1.443 1.00 0.00 N ATOM 58 CA TRP A 36 -3.397 17.453 -1.651 1.00 0.00 C ATOM 59 C TRP A 36 -3.734 16.795 -0.274 1.00 0.00 C ATOM 60 O TRP A 36 -3.268 17.231 0.787 1.00 0.00 O ATOM 61 CB TRP A 36 -2.335 16.623 -2.440 1.00 0.00 C ATOM 62 CG TRP A 36 -2.146 16.911 -3.947 1.00 0.00 C ATOM 63 CD1 TRP A 36 -2.272 18.146 -4.631 1.00 0.00 C ATOM 64 CD2 TRP A 36 -1.813 15.994 -4.934 1.00 0.00 C ATOM 65 NE1 TRP A 36 -2.046 18.016 -6.010 1.00 0.00 N ATOM 66 CE2 TRP A 36 -1.773 16.673 -6.178 1.00 0.00 C ATOM 67 CE3 TRP A 36 -1.590 14.593 -4.879 1.00 0.00 C ATOM 68 CZ2 TRP A 36 -1.536 15.956 -7.374 1.00 0.00 C ATOM 69 CZ3 TRP A 36 -1.364 13.906 -6.070 1.00 0.00 C ATOM 70 CH2 TRP A 36 -1.337 14.577 -7.298 1.00 0.00 C ATOM 0 H TRP A 36 -1.898 18.830 -1.111 1.00 0.00 H new ATOM 0 HA TRP A 36 -4.320 17.486 -2.229 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.371 16.767 -1.951 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.592 15.569 -2.333 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.514 19.080 -4.146 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.076 18.745 -6.723 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.595 14.071 -3.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.510 16.465 -8.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.207 12.838 -6.045 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.159 14.017 -8.204 1.00 0.00 H new ATOM 81 N LEU A 37 -4.543 15.715 -0.302 1.00 0.00 N ATOM 82 CA LEU A 37 -4.969 14.988 0.927 1.00 0.00 C ATOM 83 C LEU A 37 -3.806 14.081 1.423 1.00 0.00 C ATOM 84 O LEU A 37 -3.473 13.072 0.796 1.00 0.00 O ATOM 85 CB LEU A 37 -6.301 14.243 0.610 1.00 0.00 C ATOM 86 CG LEU A 37 -7.054 13.467 1.730 1.00 0.00 C ATOM 87 CD1 LEU A 37 -6.393 12.138 2.148 1.00 0.00 C ATOM 88 CD2 LEU A 37 -7.378 14.334 2.963 1.00 0.00 C ATOM 0 H LEU A 37 -4.919 15.321 -1.164 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.179 15.660 1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.995 14.980 0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.091 13.532 -0.189 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.999 13.199 1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.986 11.667 2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.337 11.473 1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.388 12.333 2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.903 13.731 3.704 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.452 14.714 3.394 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.009 15.171 2.664 1.00 0.00 H new ATOM 100 N ASP A 38 -3.175 14.490 2.539 1.00 0.00 N ATOM 101 CA ASP A 38 -1.895 13.902 3.013 1.00 0.00 C ATOM 102 C ASP A 38 -2.103 13.002 4.273 1.00 0.00 C ATOM 103 O ASP A 38 -2.716 13.410 5.269 1.00 0.00 O ATOM 104 CB ASP A 38 -0.925 15.084 3.262 1.00 0.00 C ATOM 105 CG ASP A 38 0.526 14.639 3.371 1.00 0.00 C ATOM 106 OD1 ASP A 38 1.120 14.324 2.323 1.00 0.00 O ATOM 107 OD2 ASP A 38 1.063 14.569 4.494 1.00 0.00 O ATOM 0 H ASP A 38 -3.531 15.234 3.140 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.471 13.231 2.266 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.020 15.804 2.449 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.213 15.598 4.179 1.00 0.00 H new ATOM 112 N ILE A 39 -1.557 11.775 4.207 1.00 0.00 N ATOM 113 CA ILE A 39 -1.634 10.775 5.314 1.00 0.00 C ATOM 114 C ILE A 39 -0.479 10.994 6.350 1.00 0.00 C ATOM 115 O ILE A 39 -0.769 10.995 7.551 1.00 0.00 O ATOM 116 CB ILE A 39 -1.767 9.309 4.746 1.00 0.00 C ATOM 117 CG1 ILE A 39 -3.118 9.032 4.005 1.00 0.00 C ATOM 118 CG2 ILE A 39 -1.613 8.204 5.828 1.00 0.00 C ATOM 119 CD1 ILE A 39 -3.246 9.560 2.568 1.00 0.00 C ATOM 0 H ILE A 39 -1.048 11.438 3.390 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.549 10.931 5.885 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.941 9.259 4.037 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.279 7.954 3.985 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.924 9.464 4.598 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.716 7.223 5.364 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.630 8.284 6.292 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.385 8.329 6.588 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.228 9.301 2.171 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.128 10.644 2.567 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.473 9.110 1.945 1.00 0.00 H new ATOM 131 N LEU A 40 0.798 11.141 5.923 1.00 0.00 N ATOM 132 CA LEU A 40 1.966 11.184 6.839 1.00 0.00 C ATOM 133 C LEU A 40 1.995 12.438 7.774 1.00 0.00 C ATOM 134 O LEU A 40 1.795 12.282 8.982 1.00 0.00 O ATOM 135 CB LEU A 40 3.258 10.988 5.989 1.00 0.00 C ATOM 136 CG LEU A 40 4.545 10.704 6.809 1.00 0.00 C ATOM 137 CD1 LEU A 40 4.608 9.253 7.327 1.00 0.00 C ATOM 138 CD2 LEU A 40 5.801 11.038 5.990 1.00 0.00 C ATOM 0 H LEU A 40 1.048 11.233 4.938 1.00 0.00 H new ATOM 0 HA LEU A 40 1.889 10.365 7.554 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.097 10.162 5.296 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.418 11.883 5.387 1.00 0.00 H new ATOM 0 HG LEU A 40 4.510 11.355 7.683 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.528 9.109 7.894 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.751 9.059 7.972 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.590 8.564 6.483 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.690 10.831 6.586 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.819 10.428 5.087 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.786 12.093 5.715 1.00 0.00 H new ATOM 150 N GLY A 41 2.248 13.643 7.232 1.00 0.00 N ATOM 151 CA GLY A 41 2.353 14.869 8.048 1.00 0.00 C ATOM 152 C GLY A 41 2.592 16.095 7.156 1.00 0.00 C ATOM 153 O GLY A 41 1.635 16.769 6.767 1.00 0.00 O ATOM 0 H GLY A 41 2.384 13.795 6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.439 15.006 8.626 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.170 14.768 8.762 1.00 0.00 H new ATOM 157 N ASN A 42 3.871 16.368 6.836 1.00 0.00 N ATOM 158 CA ASN A 42 4.260 17.493 5.934 1.00 0.00 C ATOM 159 C ASN A 42 3.964 17.238 4.420 1.00 0.00 C ATOM 160 O ASN A 42 3.319 18.071 3.778 1.00 0.00 O ATOM 161 CB ASN A 42 5.713 17.972 6.233 1.00 0.00 C ATOM 162 CG ASN A 42 6.897 17.077 5.793 1.00 0.00 C ATOM 163 OD1 ASN A 42 7.498 17.292 4.740 1.00 0.00 O ATOM 164 ND2 ASN A 42 7.250 16.066 6.570 1.00 0.00 N ATOM 0 H ASN A 42 4.663 15.828 7.185 1.00 0.00 H new ATOM 0 HA ASN A 42 3.599 18.327 6.170 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.843 18.947 5.762 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.796 18.124 7.309 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.024 15.460 6.298 1.00 0.00 H new ATOM 0 HD22 ASN A 42 6.748 15.893 7.441 1.00 0.00 H new ATOM 171 N GLY A 43 4.429 16.100 3.874 1.00 0.00 N ATOM 172 CA GLY A 43 4.160 15.702 2.480 1.00 0.00 C ATOM 173 C GLY A 43 4.426 14.193 2.330 1.00 0.00 C ATOM 174 O GLY A 43 3.856 13.381 3.066 1.00 0.00 O ATOM 0 H GLY A 43 5.002 15.430 4.387 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.128 15.930 2.216 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.796 16.266 1.798 1.00 0.00 H new ATOM 178 N LEU A 44 5.312 13.841 1.379 1.00 0.00 N ATOM 179 CA LEU A 44 5.845 12.467 1.172 1.00 0.00 C ATOM 180 C LEU A 44 4.789 11.506 0.548 1.00 0.00 C ATOM 181 O LEU A 44 4.795 11.309 -0.671 1.00 0.00 O ATOM 182 CB LEU A 44 6.696 11.895 2.351 1.00 0.00 C ATOM 183 CG LEU A 44 7.998 12.676 2.725 1.00 0.00 C ATOM 184 CD1 LEU A 44 7.772 13.864 3.686 1.00 0.00 C ATOM 185 CD2 LEU A 44 9.062 11.748 3.335 1.00 0.00 C ATOM 0 H LEU A 44 5.691 14.515 0.714 1.00 0.00 H new ATOM 0 HA LEU A 44 6.611 12.560 0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.062 11.848 3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.974 10.870 2.104 1.00 0.00 H new ATOM 0 HG LEU A 44 8.348 13.082 1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.725 14.350 3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.092 14.580 3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.339 13.501 4.618 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.952 12.327 3.582 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.667 11.287 4.240 1.00 0.00 H new ATOM 0 HD23 LEU A 44 9.323 10.971 2.616 1.00 0.00 H new ATOM 197 N LEU A 45 3.869 10.958 1.367 1.00 0.00 N ATOM 198 CA LEU A 45 2.662 10.240 0.876 1.00 0.00 C ATOM 199 C LEU A 45 1.507 11.264 0.685 1.00 0.00 C ATOM 200 O LEU A 45 0.782 11.587 1.633 1.00 0.00 O ATOM 201 CB LEU A 45 2.337 9.072 1.855 1.00 0.00 C ATOM 202 CG LEU A 45 1.017 8.272 1.646 1.00 0.00 C ATOM 203 CD1 LEU A 45 0.777 7.796 0.201 1.00 0.00 C ATOM 204 CD2 LEU A 45 0.963 7.071 2.605 1.00 0.00 C ATOM 0 H LEU A 45 3.936 10.997 2.384 1.00 0.00 H new ATOM 0 HA LEU A 45 2.825 9.783 -0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.164 8.364 1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.320 9.481 2.865 1.00 0.00 H new ATOM 0 HG LEU A 45 0.215 8.976 1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.164 7.249 0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.732 8.659 -0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.594 7.143 -0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.035 6.521 2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.811 6.414 2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.004 7.426 3.635 1.00 0.00 H new ATOM 216 N ARG A 46 1.355 11.744 -0.564 1.00 0.00 N ATOM 217 CA ARG A 46 0.280 12.701 -0.950 1.00 0.00 C ATOM 218 C ARG A 46 -0.756 11.955 -1.850 1.00 0.00 C ATOM 219 O ARG A 46 -0.630 11.915 -3.077 1.00 0.00 O ATOM 220 CB ARG A 46 0.925 13.946 -1.634 1.00 0.00 C ATOM 221 CG ARG A 46 1.588 14.954 -0.660 1.00 0.00 C ATOM 222 CD ARG A 46 2.537 15.996 -1.286 1.00 0.00 C ATOM 223 NE ARG A 46 1.850 16.987 -2.170 1.00 0.00 N ATOM 224 CZ ARG A 46 1.962 17.071 -3.495 1.00 0.00 C ATOM 225 NH1 ARG A 46 2.617 16.206 -4.226 1.00 0.00 N ATOM 226 NH2 ARG A 46 1.394 18.066 -4.107 1.00 0.00 N ATOM 0 H ARG A 46 1.968 11.485 -1.337 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.263 13.071 -0.080 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.676 13.603 -2.346 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.157 14.467 -2.206 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.798 15.487 -0.131 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.147 14.389 0.087 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.051 16.531 -0.487 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.301 15.476 -1.864 1.00 0.00 H new ATOM 0 HE ARG A 46 1.237 17.664 -1.715 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.079 15.411 -3.784 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.666 16.327 -5.238 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.875 18.764 -3.574 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.467 18.150 -5.121 1.00 0.00 H new ATOM 240 N LYS A 47 -1.789 11.356 -1.227 1.00 0.00 N ATOM 241 CA LYS A 47 -2.885 10.659 -1.954 1.00 0.00 C ATOM 242 C LYS A 47 -4.120 11.597 -2.113 1.00 0.00 C ATOM 243 O LYS A 47 -4.978 11.661 -1.230 1.00 0.00 O ATOM 244 CB LYS A 47 -3.208 9.330 -1.214 1.00 0.00 C ATOM 245 CG LYS A 47 -4.323 8.481 -1.877 1.00 0.00 C ATOM 246 CD LYS A 47 -4.536 7.103 -1.214 1.00 0.00 C ATOM 247 CE LYS A 47 -5.550 6.272 -2.016 1.00 0.00 C ATOM 248 NZ LYS A 47 -5.897 4.989 -1.362 1.00 0.00 N ATOM 0 H LYS A 47 -1.894 11.337 -0.213 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.575 10.406 -2.968 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.299 8.731 -1.155 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.504 9.561 -0.191 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.259 9.038 -1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.077 8.333 -2.929 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.587 6.571 -1.154 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.892 7.235 -0.192 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.458 6.857 -2.159 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.142 6.069 -3.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.446 4.401 -2.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.025 4.488 -1.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.463 5.176 -0.510 1.00 0.00 H new ATOM 262 N LYS A 48 -4.254 12.264 -3.271 1.00 0.00 N ATOM 263 CA LYS A 48 -5.473 13.047 -3.609 1.00 0.00 C ATOM 264 C LYS A 48 -6.624 12.095 -4.058 1.00 0.00 C ATOM 265 O LYS A 48 -6.625 11.612 -5.196 1.00 0.00 O ATOM 266 CB LYS A 48 -5.052 14.077 -4.690 1.00 0.00 C ATOM 267 CG LYS A 48 -6.167 14.992 -5.241 1.00 0.00 C ATOM 268 CD LYS A 48 -5.614 15.980 -6.293 1.00 0.00 C ATOM 269 CE LYS A 48 -6.696 16.775 -7.047 1.00 0.00 C ATOM 270 NZ LYS A 48 -7.373 15.927 -8.070 1.00 0.00 N ATOM 0 H LYS A 48 -3.536 12.282 -3.996 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.874 13.584 -2.749 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.268 14.708 -4.273 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.612 13.533 -5.526 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.952 14.383 -5.689 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.623 15.548 -4.421 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.943 16.682 -5.798 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.017 15.425 -7.017 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.433 17.153 -6.339 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.244 17.641 -7.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.097 16.488 -8.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.671 15.587 -8.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.823 15.114 -7.604 1.00 0.00 H new ATOM 284 N THR A 49 -7.596 11.858 -3.154 1.00 0.00 N ATOM 285 CA THR A 49 -8.724 10.924 -3.414 1.00 0.00 C ATOM 286 C THR A 49 -9.822 11.683 -4.215 1.00 0.00 C ATOM 287 O THR A 49 -10.600 12.462 -3.657 1.00 0.00 O ATOM 288 CB THR A 49 -9.217 10.271 -2.088 1.00 0.00 C ATOM 289 OG1 THR A 49 -8.132 9.621 -1.429 1.00 0.00 O ATOM 290 CG2 THR A 49 -10.312 9.209 -2.296 1.00 0.00 C ATOM 0 H THR A 49 -7.627 12.298 -2.235 1.00 0.00 H new ATOM 0 HA THR A 49 -8.406 10.084 -4.031 1.00 0.00 H new ATOM 0 HB THR A 49 -9.629 11.089 -1.498 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.451 9.215 -0.596 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.607 8.797 -1.331 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.177 9.667 -2.775 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.928 8.410 -2.930 1.00 0.00 H new ATOM 298 N LEU A 50 -9.840 11.439 -5.539 1.00 0.00 N ATOM 299 CA LEU A 50 -10.749 12.129 -6.494 1.00 0.00 C ATOM 300 C LEU A 50 -12.168 11.489 -6.460 1.00 0.00 C ATOM 301 O LEU A 50 -13.104 12.152 -6.003 1.00 0.00 O ATOM 302 CB LEU A 50 -10.030 12.202 -7.879 1.00 0.00 C ATOM 303 CG LEU A 50 -10.655 13.026 -9.040 1.00 0.00 C ATOM 304 CD1 LEU A 50 -11.825 12.311 -9.741 1.00 0.00 C ATOM 305 CD2 LEU A 50 -11.031 14.470 -8.654 1.00 0.00 C ATOM 0 H LEU A 50 -9.226 10.757 -5.985 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.949 13.164 -6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.029 12.597 -7.704 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.911 11.179 -8.236 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.847 13.103 -9.768 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -12.212 12.944 -10.540 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -11.476 11.368 -10.162 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.617 12.114 -9.018 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -11.460 14.978 -9.518 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.761 14.452 -7.844 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.139 15.003 -8.326 1.00 0.00 H new ATOM 317 N VAL A 51 -12.321 10.213 -6.877 1.00 0.00 N ATOM 318 CA VAL A 51 -13.564 9.424 -6.626 1.00 0.00 C ATOM 319 C VAL A 51 -13.435 8.808 -5.182 1.00 0.00 C ATOM 320 O VAL A 51 -12.413 8.164 -4.917 1.00 0.00 O ATOM 321 CB VAL A 51 -13.815 8.342 -7.733 1.00 0.00 C ATOM 322 CG1 VAL A 51 -15.079 7.485 -7.478 1.00 0.00 C ATOM 323 CG2 VAL A 51 -13.930 8.927 -9.162 1.00 0.00 C ATOM 0 H VAL A 51 -11.603 9.701 -7.390 1.00 0.00 H new ATOM 0 HA VAL A 51 -14.442 10.068 -6.676 1.00 0.00 H new ATOM 0 HB VAL A 51 -12.925 7.716 -7.669 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -15.193 6.757 -8.281 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -14.979 6.963 -6.526 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -15.956 8.131 -7.447 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -14.103 8.119 -9.873 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -14.762 9.630 -9.202 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -13.006 9.444 -9.419 1.00 0.00 H new ATOM 333 N PRO A 52 -14.412 8.948 -4.236 1.00 0.00 N ATOM 334 CA PRO A 52 -14.291 8.396 -2.860 1.00 0.00 C ATOM 335 C PRO A 52 -14.492 6.856 -2.714 1.00 0.00 C ATOM 336 O PRO A 52 -13.618 6.185 -2.161 1.00 0.00 O ATOM 337 CB PRO A 52 -15.297 9.256 -2.066 1.00 0.00 C ATOM 338 CG PRO A 52 -16.366 9.668 -3.081 1.00 0.00 C ATOM 339 CD PRO A 52 -15.608 9.800 -4.404 1.00 0.00 C ATOM 0 HA PRO A 52 -13.270 8.466 -2.485 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -15.734 8.691 -1.243 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -14.811 10.129 -1.631 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -17.157 8.921 -3.150 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -16.839 10.609 -2.799 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -16.217 9.467 -5.244 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -15.332 10.836 -4.601 1.00 0.00 H new ATOM 347 N GLY A 53 -15.641 6.326 -3.162 1.00 0.00 N ATOM 348 CA GLY A 53 -16.124 4.988 -2.763 1.00 0.00 C ATOM 349 C GLY A 53 -17.601 5.127 -2.326 1.00 0.00 C ATOM 350 O GLY A 53 -17.806 5.607 -1.206 1.00 0.00 O ATOM 0 H GLY A 53 -16.263 6.809 -3.810 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.036 4.287 -3.593 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.520 4.592 -1.946 1.00 0.00 H new ATOM 354 N PRO A 54 -18.645 4.776 -3.135 1.00 0.00 N ATOM 355 CA PRO A 54 -20.050 5.203 -2.869 1.00 0.00 C ATOM 356 C PRO A 54 -20.750 4.563 -1.616 1.00 0.00 C ATOM 357 O PRO A 54 -20.247 3.552 -1.115 1.00 0.00 O ATOM 358 CB PRO A 54 -20.749 4.893 -4.212 1.00 0.00 C ATOM 359 CG PRO A 54 -19.895 3.838 -4.912 1.00 0.00 C ATOM 360 CD PRO A 54 -18.472 4.149 -4.460 1.00 0.00 C ATOM 0 HA PRO A 54 -20.101 6.252 -2.576 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -21.762 4.525 -4.046 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -20.832 5.792 -4.823 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -20.193 2.830 -4.625 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -19.992 3.902 -5.996 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -17.867 3.245 -4.397 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -17.970 4.821 -5.157 1.00 0.00 H new ATOM 368 N PRO A 55 -21.880 5.110 -1.063 1.00 0.00 N ATOM 369 CA PRO A 55 -22.473 4.637 0.220 1.00 0.00 C ATOM 370 C PRO A 55 -23.066 3.199 0.143 1.00 0.00 C ATOM 371 O PRO A 55 -23.790 2.859 -0.799 1.00 0.00 O ATOM 372 CB PRO A 55 -23.528 5.716 0.535 1.00 0.00 C ATOM 373 CG PRO A 55 -23.887 6.339 -0.815 1.00 0.00 C ATOM 374 CD PRO A 55 -22.578 6.294 -1.604 1.00 0.00 C ATOM 0 HA PRO A 55 -21.728 4.532 1.008 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -24.406 5.280 1.012 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -23.131 6.465 1.220 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -24.675 5.777 -1.317 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -24.248 7.361 -0.699 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -22.759 6.197 -2.674 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -21.993 7.203 -1.461 1.00 0.00 H new ATOM 382 N GLY A 56 -22.682 2.364 1.122 1.00 0.00 N ATOM 383 CA GLY A 56 -22.779 0.892 0.992 1.00 0.00 C ATOM 384 C GLY A 56 -21.380 0.251 0.895 1.00 0.00 C ATOM 385 O GLY A 56 -20.949 -0.427 1.832 1.00 0.00 O ATOM 0 H GLY A 56 -22.301 2.678 2.014 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -23.312 0.482 1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -23.361 0.639 0.105 1.00 0.00 H new ATOM 389 N SER A 57 -20.679 0.487 -0.235 1.00 0.00 N ATOM 390 CA SER A 57 -19.277 0.037 -0.437 1.00 0.00 C ATOM 391 C SER A 57 -18.267 1.025 0.226 1.00 0.00 C ATOM 392 O SER A 57 -17.876 2.038 -0.365 1.00 0.00 O ATOM 393 CB SER A 57 -19.031 -0.186 -1.950 1.00 0.00 C ATOM 394 OG SER A 57 -19.211 0.997 -2.725 1.00 0.00 O ATOM 0 H SER A 57 -21.064 0.993 -1.033 1.00 0.00 H new ATOM 0 HA SER A 57 -19.112 -0.917 0.064 1.00 0.00 H new ATOM 0 HB2 SER A 57 -18.017 -0.559 -2.096 1.00 0.00 H new ATOM 0 HB3 SER A 57 -19.710 -0.958 -2.313 1.00 0.00 H new ATOM 0 HG SER A 57 -18.336 1.358 -2.979 1.00 0.00 H new ATOM 400 N SER A 58 -17.879 0.708 1.476 1.00 0.00 N ATOM 401 CA SER A 58 -17.056 1.601 2.341 1.00 0.00 C ATOM 402 C SER A 58 -15.805 0.862 2.914 1.00 0.00 C ATOM 403 O SER A 58 -15.684 -0.366 2.850 1.00 0.00 O ATOM 404 CB SER A 58 -17.959 2.177 3.463 1.00 0.00 C ATOM 405 OG SER A 58 -18.981 3.012 2.928 1.00 0.00 O ATOM 0 H SER A 58 -18.124 -0.175 1.924 1.00 0.00 H new ATOM 0 HA SER A 58 -16.665 2.424 1.742 1.00 0.00 H new ATOM 0 HB2 SER A 58 -18.411 1.359 4.024 1.00 0.00 H new ATOM 0 HB3 SER A 58 -17.351 2.747 4.165 1.00 0.00 H new ATOM 0 HG SER A 58 -19.535 3.359 3.658 1.00 0.00 H new ATOM 411 N ARG A 59 -14.862 1.654 3.467 1.00 0.00 N ATOM 412 CA ARG A 59 -13.473 1.209 3.790 1.00 0.00 C ATOM 413 C ARG A 59 -13.283 -0.105 4.641 1.00 0.00 C ATOM 414 O ARG A 59 -13.983 -0.249 5.652 1.00 0.00 O ATOM 415 CB ARG A 59 -12.631 2.404 4.345 1.00 0.00 C ATOM 416 CG ARG A 59 -13.197 3.289 5.487 1.00 0.00 C ATOM 417 CD ARG A 59 -13.199 2.683 6.911 1.00 0.00 C ATOM 418 NE ARG A 59 -14.397 3.118 7.687 1.00 0.00 N ATOM 419 CZ ARG A 59 -15.622 2.593 7.575 1.00 0.00 C ATOM 420 NH1 ARG A 59 -15.904 1.540 6.846 1.00 0.00 N ATOM 421 NH2 ARG A 59 -16.596 3.162 8.224 1.00 0.00 N ATOM 0 H ARG A 59 -15.036 2.630 3.707 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.087 0.883 2.824 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.681 1.998 4.691 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -12.409 3.062 3.505 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.623 4.215 5.514 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.222 3.557 5.231 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -13.182 1.595 6.845 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -12.294 2.985 7.438 1.00 0.00 H new ATOM 0 HE ARG A 59 -14.272 3.877 8.357 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.166 1.071 6.321 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.861 1.190 6.804 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -16.414 3.985 8.798 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.541 2.785 8.158 1.00 0.00 H new ATOM 435 N PRO A 60 -12.360 -1.056 4.292 1.00 0.00 N ATOM 436 CA PRO A 60 -12.200 -2.341 5.024 1.00 0.00 C ATOM 437 C PRO A 60 -11.306 -2.259 6.302 1.00 0.00 C ATOM 438 O PRO A 60 -10.298 -1.547 6.341 1.00 0.00 O ATOM 439 CB PRO A 60 -11.598 -3.251 3.933 1.00 0.00 C ATOM 440 CG PRO A 60 -10.825 -2.334 2.988 1.00 0.00 C ATOM 441 CD PRO A 60 -11.608 -1.030 3.020 1.00 0.00 C ATOM 0 HA PRO A 60 -13.140 -2.700 5.443 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -10.940 -4.001 4.372 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.382 -3.788 3.399 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.797 -2.191 3.322 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.778 -2.747 1.980 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.940 -0.170 2.976 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -12.282 -0.955 2.166 1.00 0.00 H new ATOM 449 N VAL A 61 -11.688 -3.051 7.323 1.00 0.00 N ATOM 450 CA VAL A 61 -10.916 -3.205 8.600 1.00 0.00 C ATOM 451 C VAL A 61 -9.778 -4.273 8.395 1.00 0.00 C ATOM 452 O VAL A 61 -9.843 -5.115 7.490 1.00 0.00 O ATOM 453 CB VAL A 61 -11.892 -3.519 9.797 1.00 0.00 C ATOM 454 CG1 VAL A 61 -11.198 -3.571 11.180 1.00 0.00 C ATOM 455 CG2 VAL A 61 -13.088 -2.537 9.937 1.00 0.00 C ATOM 0 H VAL A 61 -12.541 -3.609 7.298 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.421 -2.271 8.867 1.00 0.00 H new ATOM 0 HB VAL A 61 -12.261 -4.507 9.520 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -11.937 -3.792 11.950 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -10.435 -4.350 11.175 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -10.732 -2.608 11.390 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -13.704 -2.832 10.787 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.712 -1.526 10.095 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -13.688 -2.563 9.028 1.00 0.00 H new ATOM 465 N LYS A 62 -8.711 -4.199 9.222 1.00 0.00 N ATOM 466 CA LYS A 62 -7.391 -4.831 8.923 1.00 0.00 C ATOM 467 C LYS A 62 -7.339 -6.390 9.069 1.00 0.00 C ATOM 468 O LYS A 62 -6.962 -6.938 10.114 1.00 0.00 O ATOM 469 CB LYS A 62 -6.285 -4.102 9.747 1.00 0.00 C ATOM 470 CG LYS A 62 -4.846 -4.203 9.161 1.00 0.00 C ATOM 471 CD LYS A 62 -3.723 -4.686 10.114 1.00 0.00 C ATOM 472 CE LYS A 62 -3.326 -6.173 9.989 1.00 0.00 C ATOM 473 NZ LYS A 62 -4.261 -7.070 10.721 1.00 0.00 N ATOM 0 H LYS A 62 -8.733 -3.704 10.113 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.207 -4.695 7.857 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.552 -3.049 9.832 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.278 -4.511 10.757 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.877 -4.878 8.306 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.567 -3.220 8.781 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.836 -4.077 9.937 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.039 -4.499 11.140 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.306 -6.454 8.936 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.316 -6.311 10.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.047 -8.060 10.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.150 -6.926 11.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.239 -6.852 10.444 1.00 0.00 H new ATOM 487 N GLY A 63 -7.660 -7.070 7.962 1.00 0.00 N ATOM 488 CA GLY A 63 -7.616 -8.544 7.849 1.00 0.00 C ATOM 489 C GLY A 63 -8.507 -9.037 6.686 1.00 0.00 C ATOM 490 O GLY A 63 -9.470 -9.772 6.920 1.00 0.00 O ATOM 0 H GLY A 63 -7.963 -6.611 7.103 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.588 -8.869 7.688 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.950 -8.994 8.784 1.00 0.00 H new ATOM 494 N GLN A 64 -8.188 -8.609 5.448 1.00 0.00 N ATOM 495 CA GLN A 64 -9.027 -8.849 4.241 1.00 0.00 C ATOM 496 C GLN A 64 -8.096 -8.901 3.000 1.00 0.00 C ATOM 497 O GLN A 64 -7.125 -8.144 2.887 1.00 0.00 O ATOM 498 CB GLN A 64 -10.102 -7.739 4.034 1.00 0.00 C ATOM 499 CG GLN A 64 -11.313 -7.815 4.992 1.00 0.00 C ATOM 500 CD GLN A 64 -12.430 -6.799 4.707 1.00 0.00 C ATOM 501 OE1 GLN A 64 -12.636 -5.852 5.467 1.00 0.00 O ATOM 502 NE2 GLN A 64 -13.188 -6.982 3.636 1.00 0.00 N ATOM 0 H GLN A 64 -7.337 -8.083 5.249 1.00 0.00 H new ATOM 0 HA GLN A 64 -9.558 -9.791 4.378 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -9.625 -6.766 4.152 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.466 -7.793 3.008 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -11.734 -8.819 4.942 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.960 -7.668 6.013 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -13.009 -7.770 3.013 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -13.951 -6.335 3.434 1.00 0.00 H new ATOM 511 N VAL A 65 -8.436 -9.766 2.030 1.00 0.00 N ATOM 512 CA VAL A 65 -7.680 -9.899 0.751 1.00 0.00 C ATOM 513 C VAL A 65 -8.208 -8.797 -0.228 1.00 0.00 C ATOM 514 O VAL A 65 -9.216 -8.970 -0.920 1.00 0.00 O ATOM 515 CB VAL A 65 -7.774 -11.373 0.226 1.00 0.00 C ATOM 516 CG1 VAL A 65 -7.115 -11.577 -1.156 1.00 0.00 C ATOM 517 CG2 VAL A 65 -7.142 -12.400 1.199 1.00 0.00 C ATOM 0 H VAL A 65 -9.237 -10.394 2.099 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.611 -9.725 0.873 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.847 -11.547 0.144 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.217 -12.619 -1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.604 -10.937 -1.890 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.058 -11.319 -1.097 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.237 -13.403 0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.087 -12.165 1.341 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.656 -12.356 2.159 1.00 0.00 H new ATOM 527 N VAL A 66 -7.504 -7.654 -0.230 1.00 0.00 N ATOM 528 CA VAL A 66 -7.914 -6.412 -0.945 1.00 0.00 C ATOM 529 C VAL A 66 -7.169 -6.293 -2.309 1.00 0.00 C ATOM 530 O VAL A 66 -5.987 -6.630 -2.436 1.00 0.00 O ATOM 531 CB VAL A 66 -7.737 -5.138 -0.049 1.00 0.00 C ATOM 532 CG1 VAL A 66 -8.770 -5.082 1.098 1.00 0.00 C ATOM 533 CG2 VAL A 66 -6.312 -4.916 0.515 1.00 0.00 C ATOM 0 H VAL A 66 -6.620 -7.554 0.269 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.980 -6.481 -1.162 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.917 -4.317 -0.743 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.607 -4.182 1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.777 -5.064 0.680 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.656 -5.960 1.733 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.297 -4.009 1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.028 -5.769 1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.606 -4.813 -0.309 1.00 0.00 H new ATOM 543 N THR A 67 -7.906 -5.806 -3.323 1.00 0.00 N ATOM 544 CA THR A 67 -7.482 -5.852 -4.749 1.00 0.00 C ATOM 545 C THR A 67 -7.499 -4.402 -5.319 1.00 0.00 C ATOM 546 O THR A 67 -8.512 -3.700 -5.221 1.00 0.00 O ATOM 547 CB THR A 67 -8.428 -6.808 -5.539 1.00 0.00 C ATOM 548 OG1 THR A 67 -8.535 -8.076 -4.894 1.00 0.00 O ATOM 549 CG2 THR A 67 -7.963 -7.083 -6.975 1.00 0.00 C ATOM 0 H THR A 67 -8.816 -5.367 -3.185 1.00 0.00 H new ATOM 0 HA THR A 67 -6.469 -6.243 -4.845 1.00 0.00 H new ATOM 0 HB THR A 67 -9.385 -6.286 -5.565 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.135 -8.655 -5.409 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.669 -7.755 -7.464 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.914 -6.145 -7.527 1.00 0.00 H new ATOM 0 HG23 THR A 67 -6.976 -7.545 -6.956 1.00 0.00 H new ATOM 557 N VAL A 68 -6.376 -3.987 -5.936 1.00 0.00 N ATOM 558 CA VAL A 68 -6.218 -2.630 -6.544 1.00 0.00 C ATOM 559 C VAL A 68 -5.731 -2.747 -8.026 1.00 0.00 C ATOM 560 O VAL A 68 -4.970 -3.645 -8.402 1.00 0.00 O ATOM 561 CB VAL A 68 -5.297 -1.675 -5.697 1.00 0.00 C ATOM 562 CG1 VAL A 68 -5.862 -1.358 -4.295 1.00 0.00 C ATOM 563 CG2 VAL A 68 -3.815 -2.105 -5.587 1.00 0.00 C ATOM 0 H VAL A 68 -5.548 -4.574 -6.033 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.203 -2.162 -6.541 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.306 -0.761 -6.290 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.176 -0.695 -3.768 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.832 -0.871 -4.395 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.977 -2.284 -3.731 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.269 -1.380 -4.984 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.755 -3.087 -5.117 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.375 -2.152 -6.583 1.00 0.00 H new ATOM 573 N HIS A 69 -6.130 -1.750 -8.834 1.00 0.00 N ATOM 574 CA HIS A 69 -5.518 -1.451 -10.153 1.00 0.00 C ATOM 575 C HIS A 69 -4.485 -0.319 -9.917 1.00 0.00 C ATOM 576 O HIS A 69 -4.853 0.840 -9.703 1.00 0.00 O ATOM 577 CB HIS A 69 -6.657 -1.089 -11.152 1.00 0.00 C ATOM 578 CG HIS A 69 -6.343 -0.624 -12.588 1.00 0.00 C ATOM 579 ND1 HIS A 69 -7.347 -0.466 -13.527 1.00 0.00 N ATOM 580 CD2 HIS A 69 -5.117 -0.193 -13.153 1.00 0.00 C ATOM 581 CE1 HIS A 69 -6.633 0.051 -14.573 1.00 0.00 C ATOM 582 NE2 HIS A 69 -5.282 0.251 -14.457 1.00 0.00 N ATOM 0 H HIS A 69 -6.894 -1.119 -8.593 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.989 -2.295 -10.596 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.298 -1.967 -11.235 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.251 -0.303 -10.686 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -4.171 -0.208 -12.633 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -7.136 0.303 -15.495 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -4.604 0.616 -15.126 1.00 0.00 H new ATOM 590 N LEU A 70 -3.194 -0.688 -9.983 1.00 0.00 N ATOM 591 CA LEU A 70 -2.070 0.254 -9.770 1.00 0.00 C ATOM 592 C LEU A 70 -1.339 0.419 -11.130 1.00 0.00 C ATOM 593 O LEU A 70 -0.598 -0.472 -11.560 1.00 0.00 O ATOM 594 CB LEU A 70 -1.180 -0.300 -8.619 1.00 0.00 C ATOM 595 CG LEU A 70 -0.160 0.672 -7.966 1.00 0.00 C ATOM 596 CD1 LEU A 70 0.527 -0.021 -6.773 1.00 0.00 C ATOM 597 CD2 LEU A 70 0.913 1.209 -8.929 1.00 0.00 C ATOM 0 H LEU A 70 -2.896 -1.643 -10.184 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.389 1.248 -9.455 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.839 -0.672 -7.834 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.628 -1.157 -9.004 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.739 1.537 -7.642 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.242 0.664 -6.317 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.224 -0.305 -6.036 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.049 -0.912 -7.121 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.583 1.879 -8.390 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.485 0.376 -9.337 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.433 1.753 -9.742 1.00 0.00 H new ATOM 609 N GLN A 71 -1.533 1.584 -11.776 1.00 0.00 N ATOM 610 CA GLN A 71 -0.795 1.961 -13.012 1.00 0.00 C ATOM 611 C GLN A 71 0.284 3.021 -12.656 1.00 0.00 C ATOM 612 O GLN A 71 -0.039 4.101 -12.150 1.00 0.00 O ATOM 613 CB GLN A 71 -1.773 2.370 -14.150 1.00 0.00 C ATOM 614 CG GLN A 71 -2.625 3.660 -14.021 1.00 0.00 C ATOM 615 CD GLN A 71 -1.958 4.971 -14.492 1.00 0.00 C ATOM 616 OE1 GLN A 71 -0.852 5.004 -15.034 1.00 0.00 O ATOM 617 NE2 GLN A 71 -2.635 6.091 -14.305 1.00 0.00 N ATOM 0 H GLN A 71 -2.199 2.291 -11.465 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.261 1.102 -13.419 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.186 2.461 -15.064 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -2.464 1.540 -14.296 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -3.545 3.521 -14.589 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.911 3.778 -12.976 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.551 6.065 -13.856 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.242 6.982 -14.609 1.00 0.00 H new ATOM 626 N THR A 72 1.565 2.698 -12.914 1.00 0.00 N ATOM 627 CA THR A 72 2.713 3.587 -12.578 1.00 0.00 C ATOM 628 C THR A 72 3.024 4.499 -13.801 1.00 0.00 C ATOM 629 O THR A 72 3.253 4.010 -14.910 1.00 0.00 O ATOM 630 CB THR A 72 3.942 2.731 -12.142 1.00 0.00 C ATOM 631 OG1 THR A 72 3.590 1.881 -11.053 1.00 0.00 O ATOM 632 CG2 THR A 72 5.154 3.560 -11.682 1.00 0.00 C ATOM 0 H THR A 72 1.841 1.822 -13.358 1.00 0.00 H new ATOM 0 HA THR A 72 2.463 4.232 -11.735 1.00 0.00 H new ATOM 0 HB THR A 72 4.223 2.172 -13.034 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.326 1.259 -10.872 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.965 2.891 -11.396 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.485 4.204 -12.497 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.872 4.174 -10.827 1.00 0.00 H new ATOM 640 N SER A 73 3.055 5.818 -13.550 1.00 0.00 N ATOM 641 CA SER A 73 3.520 6.841 -14.527 1.00 0.00 C ATOM 642 C SER A 73 4.664 7.703 -13.914 1.00 0.00 C ATOM 643 O SER A 73 4.889 7.729 -12.697 1.00 0.00 O ATOM 644 CB SER A 73 2.321 7.704 -14.992 1.00 0.00 C ATOM 645 OG SER A 73 1.350 6.923 -15.677 1.00 0.00 O ATOM 0 H SER A 73 2.758 6.217 -12.660 1.00 0.00 H new ATOM 0 HA SER A 73 3.933 6.345 -15.405 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.860 8.183 -14.128 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.677 8.500 -15.646 1.00 0.00 H new ATOM 0 HG SER A 73 0.826 6.409 -15.027 1.00 0.00 H new ATOM 651 N LEU A 74 5.414 8.411 -14.780 1.00 0.00 N ATOM 652 CA LEU A 74 6.631 9.161 -14.364 1.00 0.00 C ATOM 653 C LEU A 74 6.278 10.567 -13.795 1.00 0.00 C ATOM 654 O LEU A 74 5.289 11.195 -14.191 1.00 0.00 O ATOM 655 CB LEU A 74 7.598 9.242 -15.587 1.00 0.00 C ATOM 656 CG LEU A 74 9.081 9.619 -15.296 1.00 0.00 C ATOM 657 CD1 LEU A 74 9.833 8.548 -14.475 1.00 0.00 C ATOM 658 CD2 LEU A 74 9.843 9.910 -16.603 1.00 0.00 C ATOM 0 H LEU A 74 5.204 8.484 -15.775 1.00 0.00 H new ATOM 0 HA LEU A 74 7.127 8.634 -13.549 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.587 8.276 -16.091 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.195 9.972 -16.289 1.00 0.00 H new ATOM 0 HG LEU A 74 9.046 10.522 -14.687 1.00 0.00 H new ATOM 0 HD11 LEU A 74 10.860 8.873 -14.307 1.00 0.00 H new ATOM 0 HD12 LEU A 74 9.335 8.409 -13.515 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.835 7.605 -15.022 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.876 10.171 -16.372 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.826 9.025 -17.239 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.367 10.741 -17.124 1.00 0.00 H new ATOM 670 N GLU A 75 7.157 11.081 -12.912 1.00 0.00 N ATOM 671 CA GLU A 75 7.197 12.526 -12.535 1.00 0.00 C ATOM 672 C GLU A 75 7.240 13.546 -13.730 1.00 0.00 C ATOM 673 O GLU A 75 6.495 14.532 -13.700 1.00 0.00 O ATOM 674 CB GLU A 75 8.387 12.704 -11.547 1.00 0.00 C ATOM 675 CG GLU A 75 8.443 14.078 -10.828 1.00 0.00 C ATOM 676 CD GLU A 75 9.595 14.242 -9.847 1.00 0.00 C ATOM 677 OE1 GLU A 75 10.754 14.361 -10.296 1.00 0.00 O ATOM 678 OE2 GLU A 75 9.335 14.294 -8.628 1.00 0.00 O ATOM 0 H GLU A 75 7.861 10.516 -12.436 1.00 0.00 H new ATOM 0 HA GLU A 75 6.247 12.779 -12.065 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.334 11.918 -10.793 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.319 12.559 -12.094 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.512 14.863 -11.581 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.505 14.230 -10.293 1.00 0.00 H new ATOM 685 N ASN A 76 8.087 13.301 -14.756 1.00 0.00 N ATOM 686 CA ASN A 76 8.176 14.174 -15.963 1.00 0.00 C ATOM 687 C ASN A 76 7.949 13.332 -17.261 1.00 0.00 C ATOM 688 O ASN A 76 8.845 13.236 -18.110 1.00 0.00 O ATOM 689 CB ASN A 76 9.536 14.943 -15.976 1.00 0.00 C ATOM 690 CG ASN A 76 9.851 15.821 -14.746 1.00 0.00 C ATOM 691 OD1 ASN A 76 9.285 16.896 -14.558 1.00 0.00 O ATOM 692 ND2 ASN A 76 10.745 15.359 -13.883 1.00 0.00 N ATOM 0 H ASN A 76 8.723 12.504 -14.777 1.00 0.00 H new ATOM 0 HA ASN A 76 7.386 14.924 -15.928 1.00 0.00 H new ATOM 0 HB2 ASN A 76 10.338 14.213 -16.087 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.559 15.578 -16.862 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.973 15.898 -13.047 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.205 14.465 -14.055 1.00 0.00 H new ATOM 699 N GLY A 77 6.745 12.746 -17.445 1.00 0.00 N ATOM 700 CA GLY A 77 6.410 12.019 -18.683 1.00 0.00 C ATOM 701 C GLY A 77 5.039 11.328 -18.596 1.00 0.00 C ATOM 702 O GLY A 77 4.000 11.992 -18.546 1.00 0.00 O ATOM 0 H GLY A 77 5.995 12.764 -16.754 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.412 12.714 -19.523 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.179 11.273 -18.884 1.00 0.00 H new ATOM 706 N THR A 78 5.061 9.988 -18.671 1.00 0.00 N ATOM 707 CA THR A 78 3.848 9.150 -18.938 1.00 0.00 C ATOM 708 C THR A 78 4.053 7.675 -18.429 1.00 0.00 C ATOM 709 O THR A 78 5.003 7.393 -17.690 1.00 0.00 O ATOM 710 CB THR A 78 3.392 9.335 -20.430 1.00 0.00 C ATOM 711 OG1 THR A 78 2.074 8.831 -20.615 1.00 0.00 O ATOM 712 CG2 THR A 78 4.306 8.728 -21.512 1.00 0.00 C ATOM 0 H THR A 78 5.913 9.441 -18.550 1.00 0.00 H new ATOM 0 HA THR A 78 2.996 9.491 -18.350 1.00 0.00 H new ATOM 0 HB THR A 78 3.445 10.414 -20.576 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.804 8.955 -21.549 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.883 8.923 -22.497 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.296 9.179 -21.447 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.387 7.652 -21.358 1.00 0.00 H new ATOM 720 N ARG A 79 3.142 6.739 -18.788 1.00 0.00 N ATOM 721 CA ARG A 79 3.105 5.351 -18.235 1.00 0.00 C ATOM 722 C ARG A 79 4.419 4.509 -18.424 1.00 0.00 C ATOM 723 O ARG A 79 4.816 4.145 -19.537 1.00 0.00 O ATOM 724 CB ARG A 79 1.804 4.638 -18.710 1.00 0.00 C ATOM 725 CG ARG A 79 1.715 4.217 -20.204 1.00 0.00 C ATOM 726 CD ARG A 79 0.492 4.733 -20.980 1.00 0.00 C ATOM 727 NE ARG A 79 -0.758 4.003 -20.625 1.00 0.00 N ATOM 728 CZ ARG A 79 -1.907 4.065 -21.300 1.00 0.00 C ATOM 729 NH1 ARG A 79 -2.102 4.858 -22.324 1.00 0.00 N ATOM 730 NH2 ARG A 79 -2.893 3.304 -20.929 1.00 0.00 N ATOM 0 H ARG A 79 2.407 6.920 -19.471 1.00 0.00 H new ATOM 0 HA ARG A 79 3.070 5.439 -17.149 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.670 3.744 -18.101 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.963 5.298 -18.497 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.615 4.563 -20.712 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.719 3.128 -20.255 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.359 5.796 -20.777 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.676 4.633 -22.050 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.733 3.407 -19.798 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.353 5.472 -22.644 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -3.003 4.862 -22.802 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.780 2.674 -20.135 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.780 3.337 -21.432 1.00 0.00 H new ATOM 744 N VAL A 80 5.082 4.247 -17.288 1.00 0.00 N ATOM 745 CA VAL A 80 6.380 3.511 -17.203 1.00 0.00 C ATOM 746 C VAL A 80 6.160 1.963 -17.240 1.00 0.00 C ATOM 747 O VAL A 80 6.824 1.268 -18.017 1.00 0.00 O ATOM 748 CB VAL A 80 7.175 3.990 -15.930 1.00 0.00 C ATOM 749 CG1 VAL A 80 8.499 3.234 -15.696 1.00 0.00 C ATOM 750 CG2 VAL A 80 7.508 5.500 -15.914 1.00 0.00 C ATOM 0 H VAL A 80 4.734 4.542 -16.375 1.00 0.00 H new ATOM 0 HA VAL A 80 6.987 3.743 -18.078 1.00 0.00 H new ATOM 0 HB VAL A 80 6.470 3.764 -15.130 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.986 3.622 -14.801 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.293 2.172 -15.565 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.155 3.374 -16.556 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.055 5.742 -15.003 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.120 5.747 -16.782 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.584 6.077 -15.946 1.00 0.00 H new ATOM 760 N GLN A 81 5.279 1.445 -16.364 1.00 0.00 N ATOM 761 CA GLN A 81 4.965 0.002 -16.265 1.00 0.00 C ATOM 762 C GLN A 81 3.495 -0.061 -15.768 1.00 0.00 C ATOM 763 O GLN A 81 3.200 0.231 -14.603 1.00 0.00 O ATOM 764 CB GLN A 81 5.944 -0.727 -15.305 1.00 0.00 C ATOM 765 CG GLN A 81 5.752 -2.264 -15.268 1.00 0.00 C ATOM 766 CD GLN A 81 6.189 -2.880 -13.937 1.00 0.00 C ATOM 767 OE1 GLN A 81 7.288 -3.416 -13.799 1.00 0.00 O ATOM 768 NE2 GLN A 81 5.332 -2.794 -12.930 1.00 0.00 N ATOM 0 H GLN A 81 4.760 2.018 -15.699 1.00 0.00 H new ATOM 0 HA GLN A 81 5.079 -0.508 -17.221 1.00 0.00 H new ATOM 0 HB2 GLN A 81 6.968 -0.505 -15.607 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.815 -0.329 -14.298 1.00 0.00 H new ATOM 0 HG2 GLN A 81 4.703 -2.500 -15.446 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.323 -2.717 -16.079 1.00 0.00 H new ATOM 0 HE21 GLN A 81 4.426 -2.345 -13.068 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.578 -3.177 -12.017 1.00 0.00 H new ATOM 777 N GLU A 82 2.588 -0.444 -16.679 1.00 0.00 N ATOM 778 CA GLU A 82 1.126 -0.455 -16.418 1.00 0.00 C ATOM 779 C GLU A 82 0.652 -1.888 -16.019 1.00 0.00 C ATOM 780 O GLU A 82 0.496 -2.774 -16.866 1.00 0.00 O ATOM 781 CB GLU A 82 0.462 0.151 -17.681 1.00 0.00 C ATOM 782 CG GLU A 82 -1.055 0.430 -17.545 1.00 0.00 C ATOM 783 CD GLU A 82 -1.561 1.541 -18.444 1.00 0.00 C ATOM 784 OE1 GLU A 82 -1.052 2.677 -18.358 1.00 0.00 O ATOM 785 OE2 GLU A 82 -2.474 1.302 -19.257 1.00 0.00 O ATOM 0 H GLU A 82 2.838 -0.756 -17.617 1.00 0.00 H new ATOM 0 HA GLU A 82 0.832 0.151 -15.561 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.968 1.084 -17.929 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.619 -0.529 -18.519 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.604 -0.484 -17.771 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.275 0.686 -16.509 1.00 0.00 H new ATOM 792 N GLU A 83 0.463 -2.109 -14.706 1.00 0.00 N ATOM 793 CA GLU A 83 0.248 -3.464 -14.126 1.00 0.00 C ATOM 794 C GLU A 83 -1.159 -3.500 -13.425 1.00 0.00 C ATOM 795 O GLU A 83 -1.237 -3.152 -12.241 1.00 0.00 O ATOM 796 CB GLU A 83 1.490 -3.735 -13.232 1.00 0.00 C ATOM 797 CG GLU A 83 1.571 -5.136 -12.577 1.00 0.00 C ATOM 798 CD GLU A 83 2.874 -5.381 -11.823 1.00 0.00 C ATOM 799 OE1 GLU A 83 3.127 -4.764 -10.767 1.00 0.00 O ATOM 800 OE2 GLU A 83 3.683 -6.206 -12.291 1.00 0.00 O ATOM 0 H GLU A 83 0.453 -1.362 -14.012 1.00 0.00 H new ATOM 0 HA GLU A 83 0.192 -4.279 -14.848 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.385 -3.587 -13.836 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.512 -2.986 -12.441 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.734 -5.255 -11.889 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.459 -5.897 -13.350 1.00 0.00 H new ATOM 807 N PRO A 84 -2.289 -3.874 -14.101 1.00 0.00 N ATOM 808 CA PRO A 84 -3.662 -3.643 -13.565 1.00 0.00 C ATOM 809 C PRO A 84 -4.244 -4.592 -12.473 1.00 0.00 C ATOM 810 O PRO A 84 -5.342 -4.303 -11.990 1.00 0.00 O ATOM 811 CB PRO A 84 -4.516 -3.662 -14.851 1.00 0.00 C ATOM 812 CG PRO A 84 -3.771 -4.587 -15.813 1.00 0.00 C ATOM 813 CD PRO A 84 -2.301 -4.290 -15.521 1.00 0.00 C ATOM 0 HA PRO A 84 -3.655 -2.723 -12.981 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.522 -4.030 -14.650 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -4.621 -2.661 -15.269 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.013 -5.634 -15.632 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.025 -4.376 -16.852 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -1.677 -5.169 -15.684 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -1.917 -3.503 -16.170 1.00 0.00 H new ATOM 821 N GLU A 85 -3.567 -5.695 -12.095 1.00 0.00 N ATOM 822 CA GLU A 85 -4.103 -6.686 -11.123 1.00 0.00 C ATOM 823 C GLU A 85 -3.066 -6.933 -9.983 1.00 0.00 C ATOM 824 O GLU A 85 -2.069 -7.640 -10.168 1.00 0.00 O ATOM 825 CB GLU A 85 -4.509 -7.966 -11.915 1.00 0.00 C ATOM 826 CG GLU A 85 -5.419 -8.970 -11.160 1.00 0.00 C ATOM 827 CD GLU A 85 -6.803 -8.435 -10.824 1.00 0.00 C ATOM 828 OE1 GLU A 85 -6.954 -7.795 -9.763 1.00 0.00 O ATOM 829 OE2 GLU A 85 -7.743 -8.573 -11.631 1.00 0.00 O ATOM 0 H GLU A 85 -2.639 -5.929 -12.449 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.997 -6.319 -10.619 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.019 -7.658 -12.828 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.600 -8.486 -12.218 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.528 -9.869 -11.766 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.923 -9.267 -10.236 1.00 0.00 H new ATOM 836 N LEU A 86 -3.328 -6.324 -8.812 1.00 0.00 N ATOM 837 CA LEU A 86 -2.476 -6.459 -7.600 1.00 0.00 C ATOM 838 C LEU A 86 -3.397 -6.902 -6.431 1.00 0.00 C ATOM 839 O LEU A 86 -4.045 -6.069 -5.787 1.00 0.00 O ATOM 840 CB LEU A 86 -1.714 -5.119 -7.354 1.00 0.00 C ATOM 841 CG LEU A 86 -0.885 -4.967 -6.044 1.00 0.00 C ATOM 842 CD1 LEU A 86 0.205 -6.041 -5.863 1.00 0.00 C ATOM 843 CD2 LEU A 86 -0.257 -3.562 -5.963 1.00 0.00 C ATOM 0 H LEU A 86 -4.138 -5.720 -8.672 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.701 -7.218 -7.709 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.038 -4.963 -8.195 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.446 -4.312 -7.379 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.594 -5.109 -5.228 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.737 -5.865 -4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.257 -7.028 -5.838 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.907 -5.990 -6.695 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.319 -3.473 -5.042 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.401 -3.408 -6.818 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.046 -2.810 -5.972 1.00 0.00 H new ATOM 855 N VAL A 87 -3.417 -8.220 -6.157 1.00 0.00 N ATOM 856 CA VAL A 87 -4.123 -8.815 -4.990 1.00 0.00 C ATOM 857 C VAL A 87 -3.099 -9.052 -3.832 1.00 0.00 C ATOM 858 O VAL A 87 -1.971 -9.510 -4.048 1.00 0.00 O ATOM 859 CB VAL A 87 -4.929 -10.078 -5.442 1.00 0.00 C ATOM 860 CG1 VAL A 87 -4.079 -11.304 -5.849 1.00 0.00 C ATOM 861 CG2 VAL A 87 -5.958 -10.507 -4.381 1.00 0.00 C ATOM 0 H VAL A 87 -2.943 -8.912 -6.738 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.871 -8.134 -4.585 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.432 -9.742 -6.349 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.737 -12.121 -6.144 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.434 -11.038 -6.686 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.466 -11.619 -5.004 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.497 -11.387 -4.732 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.443 -10.744 -3.450 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.663 -9.694 -4.209 1.00 0.00 H new ATOM 871 N PHE A 88 -3.514 -8.705 -2.604 1.00 0.00 N ATOM 872 CA PHE A 88 -2.613 -8.637 -1.416 1.00 0.00 C ATOM 873 C PHE A 88 -3.435 -8.582 -0.093 1.00 0.00 C ATOM 874 O PHE A 88 -4.557 -8.066 -0.054 1.00 0.00 O ATOM 875 CB PHE A 88 -1.582 -7.461 -1.510 1.00 0.00 C ATOM 876 CG PHE A 88 -2.120 -6.018 -1.382 1.00 0.00 C ATOM 877 CD1 PHE A 88 -2.860 -5.436 -2.419 1.00 0.00 C ATOM 878 CD2 PHE A 88 -1.904 -5.291 -0.207 1.00 0.00 C ATOM 879 CE1 PHE A 88 -3.399 -4.161 -2.268 1.00 0.00 C ATOM 880 CE2 PHE A 88 -2.430 -4.010 -0.065 1.00 0.00 C ATOM 881 CZ PHE A 88 -3.180 -3.448 -1.094 1.00 0.00 C ATOM 0 H PHE A 88 -4.482 -8.461 -2.394 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.026 -9.555 -1.407 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -0.833 -7.609 -0.732 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.067 -7.543 -2.467 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.013 -5.979 -3.340 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.326 -5.726 0.595 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.987 -3.726 -3.062 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -2.256 -3.452 0.843 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.593 -2.456 -0.981 1.00 0.00 H new ATOM 891 N THR A 89 -2.824 -9.044 1.015 1.00 0.00 N ATOM 892 CA THR A 89 -3.429 -8.957 2.377 1.00 0.00 C ATOM 893 C THR A 89 -3.306 -7.502 2.936 1.00 0.00 C ATOM 894 O THR A 89 -2.261 -6.854 2.819 1.00 0.00 O ATOM 895 CB THR A 89 -2.768 -10.017 3.313 1.00 0.00 C ATOM 896 OG1 THR A 89 -2.890 -11.318 2.741 1.00 0.00 O ATOM 897 CG2 THR A 89 -3.375 -10.105 4.726 1.00 0.00 C ATOM 0 H THR A 89 -1.905 -9.486 1.002 1.00 0.00 H new ATOM 0 HA THR A 89 -4.494 -9.184 2.324 1.00 0.00 H new ATOM 0 HB THR A 89 -1.734 -9.685 3.408 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.471 -11.977 3.334 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.850 -10.868 5.301 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.275 -9.141 5.226 1.00 0.00 H new ATOM 0 HG23 THR A 89 -4.430 -10.368 4.653 1.00 0.00 H new ATOM 905 N LEU A 90 -4.394 -7.025 3.572 1.00 0.00 N ATOM 906 CA LEU A 90 -4.490 -5.653 4.141 1.00 0.00 C ATOM 907 C LEU A 90 -3.602 -5.542 5.414 1.00 0.00 C ATOM 908 O LEU A 90 -3.842 -6.236 6.408 1.00 0.00 O ATOM 909 CB LEU A 90 -5.988 -5.349 4.450 1.00 0.00 C ATOM 910 CG LEU A 90 -6.430 -3.861 4.539 1.00 0.00 C ATOM 911 CD1 LEU A 90 -7.949 -3.788 4.765 1.00 0.00 C ATOM 912 CD2 LEU A 90 -5.738 -3.012 5.621 1.00 0.00 C ATOM 0 H LEU A 90 -5.239 -7.579 3.710 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.124 -4.915 3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.592 -5.831 3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.237 -5.828 5.397 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.124 -3.430 3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.258 -2.745 4.827 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.464 -4.270 3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.204 -4.298 5.694 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.126 -1.994 5.588 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.934 -3.444 6.603 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.663 -2.997 5.439 1.00 0.00 H new ATOM 924 N GLY A 91 -2.569 -4.683 5.346 1.00 0.00 N ATOM 925 CA GLY A 91 -1.599 -4.503 6.450 1.00 0.00 C ATOM 926 C GLY A 91 -0.609 -5.676 6.569 1.00 0.00 C ATOM 927 O GLY A 91 -0.755 -6.515 7.462 1.00 0.00 O ATOM 0 H GLY A 91 -2.381 -4.097 4.533 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.043 -3.579 6.293 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.141 -4.393 7.390 1.00 0.00 H new ATOM 931 N ASP A 92 0.342 -5.756 5.622 1.00 0.00 N ATOM 932 CA ASP A 92 1.221 -6.949 5.454 1.00 0.00 C ATOM 933 C ASP A 92 2.525 -6.568 4.676 1.00 0.00 C ATOM 934 O ASP A 92 2.536 -5.678 3.813 1.00 0.00 O ATOM 935 CB ASP A 92 0.421 -8.091 4.757 1.00 0.00 C ATOM 936 CG ASP A 92 0.912 -9.492 5.107 1.00 0.00 C ATOM 937 OD1 ASP A 92 1.880 -9.968 4.480 1.00 0.00 O ATOM 938 OD2 ASP A 92 0.335 -10.116 6.024 1.00 0.00 O ATOM 0 H ASP A 92 0.530 -5.009 4.953 1.00 0.00 H new ATOM 0 HA ASP A 92 1.538 -7.314 6.431 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.630 -8.006 5.033 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.479 -7.955 3.677 1.00 0.00 H new ATOM 943 N CYS A 93 3.629 -7.279 4.981 1.00 0.00 N ATOM 944 CA CYS A 93 4.955 -7.039 4.346 1.00 0.00 C ATOM 945 C CYS A 93 5.036 -7.642 2.910 1.00 0.00 C ATOM 946 O CYS A 93 5.551 -8.740 2.678 1.00 0.00 O ATOM 947 CB CYS A 93 6.058 -7.563 5.289 1.00 0.00 C ATOM 948 SG CYS A 93 6.017 -6.681 6.887 1.00 0.00 S ATOM 0 H CYS A 93 3.635 -8.032 5.669 1.00 0.00 H new ATOM 0 HA CYS A 93 5.104 -5.968 4.205 1.00 0.00 H new ATOM 0 HB2 CYS A 93 5.923 -8.632 5.455 1.00 0.00 H new ATOM 0 HB3 CYS A 93 7.034 -7.433 4.822 1.00 0.00 H new ATOM 0 HG CYS A 93 6.953 -7.143 7.662 1.00 0.00 H new ATOM 954 N ASP A 94 4.469 -6.877 1.962 1.00 0.00 N ATOM 955 CA ASP A 94 4.269 -7.296 0.547 1.00 0.00 C ATOM 956 C ASP A 94 4.366 -6.032 -0.374 1.00 0.00 C ATOM 957 O ASP A 94 5.303 -5.915 -1.174 1.00 0.00 O ATOM 958 CB ASP A 94 2.936 -8.098 0.449 1.00 0.00 C ATOM 959 CG ASP A 94 2.606 -8.620 -0.945 1.00 0.00 C ATOM 960 OD1 ASP A 94 3.106 -9.700 -1.322 1.00 0.00 O ATOM 961 OD2 ASP A 94 1.855 -7.937 -1.675 1.00 0.00 O ATOM 0 H ASP A 94 4.128 -5.934 2.151 1.00 0.00 H new ATOM 0 HA ASP A 94 5.047 -7.973 0.193 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.985 -8.943 1.136 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.119 -7.460 0.786 1.00 0.00 H new ATOM 966 N VAL A 95 3.413 -5.088 -0.229 1.00 0.00 N ATOM 967 CA VAL A 95 3.376 -3.813 -0.998 1.00 0.00 C ATOM 968 C VAL A 95 4.332 -2.727 -0.399 1.00 0.00 C ATOM 969 O VAL A 95 4.790 -2.806 0.746 1.00 0.00 O ATOM 970 CB VAL A 95 1.895 -3.306 -1.151 1.00 0.00 C ATOM 971 CG1 VAL A 95 1.031 -4.231 -2.035 1.00 0.00 C ATOM 972 CG2 VAL A 95 1.167 -3.004 0.182 1.00 0.00 C ATOM 0 H VAL A 95 2.639 -5.184 0.428 1.00 0.00 H new ATOM 0 HA VAL A 95 3.758 -4.013 -1.999 1.00 0.00 H new ATOM 0 HB VAL A 95 2.011 -2.349 -1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.020 -3.829 -2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.466 -4.291 -3.033 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.996 -5.227 -1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.154 -2.661 -0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.126 -3.909 0.788 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.708 -2.229 0.725 1.00 0.00 H new ATOM 982 N ILE A 96 4.591 -1.685 -1.210 1.00 0.00 N ATOM 983 CA ILE A 96 5.402 -0.491 -0.822 1.00 0.00 C ATOM 984 C ILE A 96 4.796 0.332 0.367 1.00 0.00 C ATOM 985 O ILE A 96 3.595 0.254 0.647 1.00 0.00 O ATOM 986 CB ILE A 96 5.683 0.409 -2.087 1.00 0.00 C ATOM 987 CG1 ILE A 96 4.408 0.877 -2.862 1.00 0.00 C ATOM 988 CG2 ILE A 96 6.721 -0.253 -3.025 1.00 0.00 C ATOM 989 CD1 ILE A 96 4.614 2.008 -3.882 1.00 0.00 C ATOM 0 H ILE A 96 4.243 -1.637 -2.168 1.00 0.00 H new ATOM 0 HA ILE A 96 6.351 -0.866 -0.439 1.00 0.00 H new ATOM 0 HB ILE A 96 6.109 1.331 -1.691 1.00 0.00 H new ATOM 0 HG12 ILE A 96 3.989 0.017 -3.384 1.00 0.00 H new ATOM 0 HG13 ILE A 96 3.664 1.202 -2.134 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.894 0.390 -3.888 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.658 -0.398 -2.487 1.00 0.00 H new ATOM 0 HG23 ILE A 96 6.343 -1.218 -3.362 1.00 0.00 H new ATOM 0 HD11 ILE A 96 3.662 2.248 -4.357 1.00 0.00 H new ATOM 0 HD12 ILE A 96 4.998 2.892 -3.373 1.00 0.00 H new ATOM 0 HD13 ILE A 96 5.327 1.688 -4.641 1.00 0.00 H new ATOM 1001 N GLN A 97 5.644 1.136 1.044 1.00 0.00 N ATOM 1002 CA GLN A 97 5.214 2.065 2.138 1.00 0.00 C ATOM 1003 C GLN A 97 4.091 3.087 1.761 1.00 0.00 C ATOM 1004 O GLN A 97 3.183 3.305 2.569 1.00 0.00 O ATOM 1005 CB GLN A 97 6.420 2.853 2.724 1.00 0.00 C ATOM 1006 CG GLN A 97 7.552 2.031 3.382 1.00 0.00 C ATOM 1007 CD GLN A 97 8.726 2.899 3.873 1.00 0.00 C ATOM 1008 OE1 GLN A 97 9.756 3.014 3.210 1.00 0.00 O ATOM 1009 NE2 GLN A 97 8.608 3.521 5.038 1.00 0.00 N ATOM 0 H GLN A 97 6.646 1.167 0.856 1.00 0.00 H new ATOM 0 HA GLN A 97 4.784 1.392 2.879 1.00 0.00 H new ATOM 0 HB2 GLN A 97 6.857 3.447 1.921 1.00 0.00 H new ATOM 0 HB3 GLN A 97 6.037 3.553 3.466 1.00 0.00 H new ATOM 0 HG2 GLN A 97 7.144 1.473 4.225 1.00 0.00 H new ATOM 0 HG3 GLN A 97 7.925 1.299 2.665 1.00 0.00 H new ATOM 0 HE21 GLN A 97 7.752 3.423 5.584 1.00 0.00 H new ATOM 0 HE22 GLN A 97 9.373 4.098 5.388 1.00 0.00 H new ATOM 1018 N ALA A 98 4.137 3.675 0.545 1.00 0.00 N ATOM 1019 CA ALA A 98 3.037 4.505 -0.015 1.00 0.00 C ATOM 1020 C ALA A 98 1.621 3.851 -0.064 1.00 0.00 C ATOM 1021 O ALA A 98 0.649 4.497 0.333 1.00 0.00 O ATOM 1022 CB ALA A 98 3.462 4.963 -1.420 1.00 0.00 C ATOM 0 H ALA A 98 4.938 3.590 -0.080 1.00 0.00 H new ATOM 0 HA ALA A 98 2.904 5.335 0.679 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.673 5.575 -1.857 1.00 0.00 H new ATOM 0 HB2 ALA A 98 4.379 5.548 -1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.635 4.091 -2.050 1.00 0.00 H new ATOM 1028 N LEU A 99 1.517 2.577 -0.501 1.00 0.00 N ATOM 1029 CA LEU A 99 0.270 1.775 -0.396 1.00 0.00 C ATOM 1030 C LEU A 99 -0.074 1.441 1.085 1.00 0.00 C ATOM 1031 O LEU A 99 -1.060 1.992 1.571 1.00 0.00 O ATOM 1032 CB LEU A 99 0.326 0.527 -1.336 1.00 0.00 C ATOM 1033 CG LEU A 99 -0.246 0.664 -2.776 1.00 0.00 C ATOM 1034 CD1 LEU A 99 -1.789 0.680 -2.800 1.00 0.00 C ATOM 1035 CD2 LEU A 99 0.329 1.850 -3.578 1.00 0.00 C ATOM 0 H LEU A 99 2.290 2.073 -0.936 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.564 2.379 -0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.369 0.220 -1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.207 -0.286 -0.842 1.00 0.00 H new ATOM 0 HG LEU A 99 0.093 -0.238 -3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.136 0.777 -3.829 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.169 -0.249 -2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.153 1.523 -2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.123 1.872 -4.570 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.108 2.782 -3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.409 1.735 -3.674 1.00 0.00 H new ATOM 1047 N ASP A 100 0.714 0.606 1.798 1.00 0.00 N ATOM 1048 CA ASP A 100 0.372 0.089 3.165 1.00 0.00 C ATOM 1049 C ASP A 100 -0.156 1.109 4.245 1.00 0.00 C ATOM 1050 O ASP A 100 -1.139 0.815 4.935 1.00 0.00 O ATOM 1051 CB ASP A 100 1.593 -0.738 3.652 1.00 0.00 C ATOM 1052 CG ASP A 100 1.267 -1.725 4.772 1.00 0.00 C ATOM 1053 OD1 ASP A 100 0.747 -2.822 4.474 1.00 0.00 O ATOM 1054 OD2 ASP A 100 1.516 -1.395 5.951 1.00 0.00 O ATOM 0 H ASP A 100 1.610 0.264 1.451 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.526 -0.518 3.049 1.00 0.00 H new ATOM 0 HB2 ASP A 100 2.008 -1.287 2.807 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.368 -0.054 3.998 1.00 0.00 H new ATOM 1059 N LEU A 101 0.452 2.309 4.338 1.00 0.00 N ATOM 1060 CA LEU A 101 -0.031 3.421 5.212 1.00 0.00 C ATOM 1061 C LEU A 101 -1.449 3.983 4.858 1.00 0.00 C ATOM 1062 O LEU A 101 -2.299 4.054 5.751 1.00 0.00 O ATOM 1063 CB LEU A 101 1.039 4.548 5.246 1.00 0.00 C ATOM 1064 CG LEU A 101 2.400 4.219 5.924 1.00 0.00 C ATOM 1065 CD1 LEU A 101 3.429 5.321 5.617 1.00 0.00 C ATOM 1066 CD2 LEU A 101 2.283 4.023 7.449 1.00 0.00 C ATOM 0 H LEU A 101 1.294 2.544 3.812 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.164 2.993 6.206 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.239 4.854 4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.607 5.408 5.757 1.00 0.00 H new ATOM 0 HG LEU A 101 2.734 3.270 5.505 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.377 5.078 6.098 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.576 5.391 4.539 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.064 6.275 5.996 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.265 3.796 7.863 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.899 4.936 7.905 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.602 3.198 7.659 1.00 0.00 H new ATOM 1078 N SER A 102 -1.711 4.355 3.587 1.00 0.00 N ATOM 1079 CA SER A 102 -3.081 4.721 3.104 1.00 0.00 C ATOM 1080 C SER A 102 -4.100 3.560 2.808 1.00 0.00 C ATOM 1081 O SER A 102 -5.261 3.841 2.499 1.00 0.00 O ATOM 1082 CB SER A 102 -2.919 5.637 1.868 1.00 0.00 C ATOM 1083 OG SER A 102 -2.336 4.959 0.758 1.00 0.00 O ATOM 0 H SER A 102 -0.993 4.413 2.864 1.00 0.00 H new ATOM 0 HA SER A 102 -3.554 5.218 3.951 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.895 6.028 1.579 1.00 0.00 H new ATOM 0 HB3 SER A 102 -2.299 6.493 2.133 1.00 0.00 H new ATOM 0 HG SER A 102 -1.360 4.974 0.842 1.00 0.00 H new ATOM 1089 N VAL A 103 -3.685 2.282 2.908 1.00 0.00 N ATOM 1090 CA VAL A 103 -4.520 1.080 2.625 1.00 0.00 C ATOM 1091 C VAL A 103 -5.691 0.829 3.646 1.00 0.00 C ATOM 1092 O VAL A 103 -6.783 0.581 3.132 1.00 0.00 O ATOM 1093 CB VAL A 103 -3.555 -0.126 2.298 1.00 0.00 C ATOM 1094 CG1 VAL A 103 -3.985 -1.536 2.749 1.00 0.00 C ATOM 1095 CG2 VAL A 103 -3.210 -0.185 0.791 1.00 0.00 C ATOM 0 H VAL A 103 -2.736 2.042 3.195 1.00 0.00 H new ATOM 0 HA VAL A 103 -5.124 1.245 1.733 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.689 0.119 2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -3.224 -2.260 2.456 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -4.102 -1.552 3.833 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -4.933 -1.795 2.278 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.544 -1.027 0.603 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -4.125 -0.310 0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.717 0.741 0.494 1.00 0.00 H new ATOM 1105 N PRO A 104 -5.614 0.887 5.013 1.00 0.00 N ATOM 1106 CA PRO A 104 -6.825 0.825 5.889 1.00 0.00 C ATOM 1107 C PRO A 104 -7.910 1.940 5.703 1.00 0.00 C ATOM 1108 O PRO A 104 -9.096 1.656 5.896 1.00 0.00 O ATOM 1109 CB PRO A 104 -6.223 0.756 7.307 1.00 0.00 C ATOM 1110 CG PRO A 104 -4.825 1.366 7.192 1.00 0.00 C ATOM 1111 CD PRO A 104 -4.360 1.021 5.778 1.00 0.00 C ATOM 0 HA PRO A 104 -7.441 -0.035 5.628 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -6.835 1.310 8.020 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -6.173 -0.273 7.662 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -4.851 2.445 7.347 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.151 0.952 7.942 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -3.722 1.803 5.366 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -3.782 0.097 5.762 1.00 0.00 H new ATOM 1119 N LEU A 105 -7.510 3.162 5.292 1.00 0.00 N ATOM 1120 CA LEU A 105 -8.434 4.244 4.868 1.00 0.00 C ATOM 1121 C LEU A 105 -8.514 4.339 3.308 1.00 0.00 C ATOM 1122 O LEU A 105 -8.038 5.304 2.700 1.00 0.00 O ATOM 1123 CB LEU A 105 -8.075 5.575 5.603 1.00 0.00 C ATOM 1124 CG LEU A 105 -6.671 6.241 5.402 1.00 0.00 C ATOM 1125 CD1 LEU A 105 -6.735 7.751 5.710 1.00 0.00 C ATOM 1126 CD2 LEU A 105 -5.542 5.607 6.244 1.00 0.00 C ATOM 0 H LEU A 105 -6.527 3.431 5.243 1.00 0.00 H new ATOM 0 HA LEU A 105 -9.454 4.010 5.174 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.825 6.313 5.317 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.196 5.395 6.671 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.423 6.069 4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.750 8.194 5.564 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.450 8.229 5.041 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.050 7.899 6.743 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.605 6.126 6.046 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.787 5.691 7.303 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.437 4.555 5.979 1.00 0.00 H new ATOM 1138 N MET A 106 -9.151 3.336 2.665 1.00 0.00 N ATOM 1139 CA MET A 106 -9.450 3.357 1.205 1.00 0.00 C ATOM 1140 C MET A 106 -10.906 2.851 1.008 1.00 0.00 C ATOM 1141 O MET A 106 -11.192 1.662 1.177 1.00 0.00 O ATOM 1142 CB MET A 106 -8.382 2.604 0.357 1.00 0.00 C ATOM 1143 CG MET A 106 -8.372 1.065 0.399 1.00 0.00 C ATOM 1144 SD MET A 106 -6.820 0.434 -0.263 1.00 0.00 S ATOM 1145 CE MET A 106 -6.943 -1.293 0.241 1.00 0.00 C ATOM 0 H MET A 106 -9.474 2.490 3.135 1.00 0.00 H new ATOM 0 HA MET A 106 -9.387 4.376 0.823 1.00 0.00 H new ATOM 0 HB2 MET A 106 -8.507 2.908 -0.682 1.00 0.00 H new ATOM 0 HB3 MET A 106 -7.399 2.952 0.674 1.00 0.00 H new ATOM 0 HG2 MET A 106 -8.505 0.721 1.425 1.00 0.00 H new ATOM 0 HG3 MET A 106 -9.209 0.673 -0.179 1.00 0.00 H new ATOM 0 HE1 MET A 106 -6.057 -1.833 -0.091 1.00 0.00 H new ATOM 0 HE2 MET A 106 -7.017 -1.351 1.327 1.00 0.00 H new ATOM 0 HE3 MET A 106 -7.830 -1.741 -0.207 1.00 0.00 H new ATOM 1155 N ASP A 107 -11.830 3.764 0.666 1.00 0.00 N ATOM 1156 CA ASP A 107 -13.277 3.434 0.514 1.00 0.00 C ATOM 1157 C ASP A 107 -13.570 2.749 -0.858 1.00 0.00 C ATOM 1158 O ASP A 107 -13.030 3.124 -1.907 1.00 0.00 O ATOM 1159 CB ASP A 107 -14.139 4.692 0.803 1.00 0.00 C ATOM 1160 CG ASP A 107 -14.313 4.993 2.293 1.00 0.00 C ATOM 1161 OD1 ASP A 107 -15.200 4.378 2.925 1.00 0.00 O ATOM 1162 OD2 ASP A 107 -13.550 5.809 2.847 1.00 0.00 O ATOM 0 H ASP A 107 -11.610 4.744 0.487 1.00 0.00 H new ATOM 0 HA ASP A 107 -13.562 2.689 1.257 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -13.680 5.554 0.319 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -15.122 4.559 0.352 1.00 0.00 H new ATOM 1167 N VAL A 108 -14.400 1.688 -0.807 1.00 0.00 N ATOM 1168 CA VAL A 108 -14.445 0.628 -1.856 1.00 0.00 C ATOM 1169 C VAL A 108 -15.104 1.192 -3.152 1.00 0.00 C ATOM 1170 O VAL A 108 -16.279 1.569 -3.162 1.00 0.00 O ATOM 1171 CB VAL A 108 -15.113 -0.672 -1.279 1.00 0.00 C ATOM 1172 CG1 VAL A 108 -15.331 -1.807 -2.309 1.00 0.00 C ATOM 1173 CG2 VAL A 108 -14.324 -1.274 -0.090 1.00 0.00 C ATOM 0 H VAL A 108 -15.059 1.534 -0.044 1.00 0.00 H new ATOM 0 HA VAL A 108 -13.440 0.327 -2.150 1.00 0.00 H new ATOM 0 HB VAL A 108 -16.088 -0.310 -0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -15.797 -2.661 -1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -15.979 -1.452 -3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -14.370 -2.109 -2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -14.832 -2.170 0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -13.317 -1.534 -0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -14.267 -0.543 0.716 1.00 0.00 H new ATOM 1183 N GLY A 109 -14.279 1.273 -4.208 1.00 0.00 N ATOM 1184 CA GLY A 109 -14.596 2.026 -5.442 1.00 0.00 C ATOM 1185 C GLY A 109 -13.979 3.444 -5.535 1.00 0.00 C ATOM 1186 O GLY A 109 -14.678 4.365 -5.965 1.00 0.00 O ATOM 0 H GLY A 109 -13.367 0.817 -4.234 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.257 1.444 -6.299 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -15.679 2.114 -5.525 1.00 0.00 H new ATOM 1190 N GLU A 110 -12.685 3.615 -5.190 1.00 0.00 N ATOM 1191 CA GLU A 110 -11.949 4.900 -5.369 1.00 0.00 C ATOM 1192 C GLU A 110 -11.204 5.014 -6.745 1.00 0.00 C ATOM 1193 O GLU A 110 -11.007 4.034 -7.470 1.00 0.00 O ATOM 1194 CB GLU A 110 -11.005 5.147 -4.149 1.00 0.00 C ATOM 1195 CG GLU A 110 -9.767 4.221 -4.005 1.00 0.00 C ATOM 1196 CD GLU A 110 -8.630 4.670 -3.099 1.00 0.00 C ATOM 1197 OE1 GLU A 110 -8.673 5.755 -2.485 1.00 0.00 O ATOM 1198 OE2 GLU A 110 -7.644 3.909 -2.992 1.00 0.00 O ATOM 0 H GLU A 110 -12.117 2.874 -4.781 1.00 0.00 H new ATOM 0 HA GLU A 110 -12.690 5.698 -5.399 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -10.651 6.177 -4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -11.599 5.059 -3.240 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -10.116 3.253 -3.645 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -9.354 4.061 -5.001 1.00 0.00 H new ATOM 1205 N THR A 111 -10.758 6.242 -7.057 1.00 0.00 N ATOM 1206 CA THR A 111 -9.735 6.512 -8.104 1.00 0.00 C ATOM 1207 C THR A 111 -8.904 7.683 -7.514 1.00 0.00 C ATOM 1208 O THR A 111 -9.402 8.810 -7.417 1.00 0.00 O ATOM 1209 CB THR A 111 -10.351 6.851 -9.494 1.00 0.00 C ATOM 1210 OG1 THR A 111 -11.143 5.762 -9.955 1.00 0.00 O ATOM 1211 CG2 THR A 111 -9.298 7.144 -10.580 1.00 0.00 C ATOM 0 H THR A 111 -11.093 7.086 -6.593 1.00 0.00 H new ATOM 0 HA THR A 111 -9.126 5.633 -8.316 1.00 0.00 H new ATOM 0 HB THR A 111 -10.945 7.752 -9.339 1.00 0.00 H new ATOM 0 HG1 THR A 111 -11.153 5.055 -9.277 1.00 0.00 H new ATOM 0 HG21 THR A 111 -9.799 7.372 -11.521 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.690 7.997 -10.277 1.00 0.00 H new ATOM 0 HG23 THR A 111 -8.659 6.271 -10.712 1.00 0.00 H new ATOM 1219 N ALA A 112 -7.656 7.402 -7.096 1.00 0.00 N ATOM 1220 CA ALA A 112 -6.875 8.335 -6.249 1.00 0.00 C ATOM 1221 C ALA A 112 -5.394 8.369 -6.693 1.00 0.00 C ATOM 1222 O ALA A 112 -4.709 7.343 -6.670 1.00 0.00 O ATOM 1223 CB ALA A 112 -6.984 7.846 -4.795 1.00 0.00 C ATOM 0 H ALA A 112 -7.164 6.539 -7.328 1.00 0.00 H new ATOM 0 HA ALA A 112 -7.269 9.347 -6.344 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -6.419 8.513 -4.144 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -8.030 7.842 -4.490 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -6.580 6.836 -4.719 1.00 0.00 H new ATOM 1229 N MET A 113 -4.895 9.562 -7.067 1.00 0.00 N ATOM 1230 CA MET A 113 -3.502 9.736 -7.556 1.00 0.00 C ATOM 1231 C MET A 113 -2.520 9.827 -6.355 1.00 0.00 C ATOM 1232 O MET A 113 -2.592 10.765 -5.555 1.00 0.00 O ATOM 1233 CB MET A 113 -3.457 10.988 -8.474 1.00 0.00 C ATOM 1234 CG MET A 113 -2.131 11.203 -9.222 1.00 0.00 C ATOM 1235 SD MET A 113 -2.303 12.628 -10.318 1.00 0.00 S ATOM 1236 CE MET A 113 -0.636 12.739 -10.998 1.00 0.00 C ATOM 0 H MET A 113 -5.434 10.428 -7.042 1.00 0.00 H new ATOM 0 HA MET A 113 -3.184 8.875 -8.144 1.00 0.00 H new ATOM 0 HB2 MET A 113 -4.261 10.911 -9.206 1.00 0.00 H new ATOM 0 HB3 MET A 113 -3.661 11.871 -7.868 1.00 0.00 H new ATOM 0 HG2 MET A 113 -1.320 11.369 -8.512 1.00 0.00 H new ATOM 0 HG3 MET A 113 -1.874 10.314 -9.797 1.00 0.00 H new ATOM 0 HE1 MET A 113 -0.582 13.575 -11.696 1.00 0.00 H new ATOM 0 HE2 MET A 113 0.077 12.895 -10.189 1.00 0.00 H new ATOM 0 HE3 MET A 113 -0.394 11.814 -11.521 1.00 0.00 H new ATOM 1246 N VAL A 114 -1.612 8.840 -6.252 1.00 0.00 N ATOM 1247 CA VAL A 114 -0.614 8.763 -5.149 1.00 0.00 C ATOM 1248 C VAL A 114 0.727 9.308 -5.718 1.00 0.00 C ATOM 1249 O VAL A 114 1.470 8.575 -6.377 1.00 0.00 O ATOM 1250 CB VAL A 114 -0.494 7.309 -4.563 1.00 0.00 C ATOM 1251 CG1 VAL A 114 0.531 7.211 -3.412 1.00 0.00 C ATOM 1252 CG2 VAL A 114 -1.821 6.726 -4.034 1.00 0.00 C ATOM 0 H VAL A 114 -1.542 8.074 -6.922 1.00 0.00 H new ATOM 0 HA VAL A 114 -0.925 9.369 -4.298 1.00 0.00 H new ATOM 0 HB VAL A 114 -0.166 6.727 -5.424 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.571 6.185 -3.047 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.515 7.506 -3.775 1.00 0.00 H new ATOM 0 HG13 VAL A 114 0.231 7.873 -2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -1.649 5.721 -3.648 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -2.204 7.361 -3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -2.549 6.684 -4.845 1.00 0.00 H new ATOM 1262 N THR A 115 1.057 10.574 -5.404 1.00 0.00 N ATOM 1263 CA THR A 115 2.421 11.134 -5.632 1.00 0.00 C ATOM 1264 C THR A 115 3.307 10.747 -4.412 1.00 0.00 C ATOM 1265 O THR A 115 3.250 11.377 -3.349 1.00 0.00 O ATOM 1266 CB THR A 115 2.408 12.667 -5.904 1.00 0.00 C ATOM 1267 OG1 THR A 115 1.600 13.354 -4.954 1.00 0.00 O ATOM 1268 CG2 THR A 115 1.936 13.042 -7.320 1.00 0.00 C ATOM 0 H THR A 115 0.402 11.238 -4.990 1.00 0.00 H new ATOM 0 HA THR A 115 2.842 10.704 -6.541 1.00 0.00 H new ATOM 0 HB THR A 115 3.449 12.978 -5.810 1.00 0.00 H new ATOM 0 HG1 THR A 115 0.703 13.490 -5.325 1.00 0.00 H new ATOM 0 HG21 THR A 115 1.954 14.126 -7.434 1.00 0.00 H new ATOM 0 HG22 THR A 115 2.599 12.588 -8.057 1.00 0.00 H new ATOM 0 HG23 THR A 115 0.920 12.678 -7.473 1.00 0.00 H new ATOM 1276 N ALA A 116 4.082 9.664 -4.591 1.00 0.00 N ATOM 1277 CA ALA A 116 4.873 9.039 -3.508 1.00 0.00 C ATOM 1278 C ALA A 116 6.358 9.459 -3.582 1.00 0.00 C ATOM 1279 O ALA A 116 6.953 9.518 -4.664 1.00 0.00 O ATOM 1280 CB ALA A 116 4.771 7.510 -3.653 1.00 0.00 C ATOM 0 H ALA A 116 4.180 9.194 -5.491 1.00 0.00 H new ATOM 0 HA ALA A 116 4.477 9.368 -2.547 1.00 0.00 H new ATOM 0 HB1 ALA A 116 5.348 7.030 -2.863 1.00 0.00 H new ATOM 0 HB2 ALA A 116 3.727 7.206 -3.575 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.165 7.209 -4.624 1.00 0.00 H new ATOM 1286 N ASP A 117 6.967 9.660 -2.400 1.00 0.00 N ATOM 1287 CA ASP A 117 8.437 9.852 -2.257 1.00 0.00 C ATOM 1288 C ASP A 117 9.263 8.611 -2.741 1.00 0.00 C ATOM 1289 O ASP A 117 8.847 7.461 -2.570 1.00 0.00 O ATOM 1290 CB ASP A 117 8.675 10.173 -0.758 1.00 0.00 C ATOM 1291 CG ASP A 117 10.047 10.740 -0.411 1.00 0.00 C ATOM 1292 OD1 ASP A 117 11.069 10.033 -0.545 1.00 0.00 O ATOM 1293 OD2 ASP A 117 10.128 11.887 0.074 1.00 0.00 O ATOM 0 H ASP A 117 6.463 9.695 -1.514 1.00 0.00 H new ATOM 0 HA ASP A 117 8.786 10.664 -2.895 1.00 0.00 H new ATOM 0 HB2 ASP A 117 7.916 10.885 -0.433 1.00 0.00 H new ATOM 0 HB3 ASP A 117 8.524 9.260 -0.182 1.00 0.00 H new ATOM 1298 N SER A 118 10.440 8.871 -3.332 1.00 0.00 N ATOM 1299 CA SER A 118 11.352 7.810 -3.841 1.00 0.00 C ATOM 1300 C SER A 118 11.857 6.751 -2.801 1.00 0.00 C ATOM 1301 O SER A 118 11.926 5.571 -3.159 1.00 0.00 O ATOM 1302 CB SER A 118 12.518 8.506 -4.574 1.00 0.00 C ATOM 1303 OG SER A 118 13.239 7.573 -5.366 1.00 0.00 O ATOM 0 H SER A 118 10.794 9.817 -3.475 1.00 0.00 H new ATOM 0 HA SER A 118 10.761 7.190 -4.515 1.00 0.00 H new ATOM 0 HB2 SER A 118 12.132 9.306 -5.206 1.00 0.00 H new ATOM 0 HB3 SER A 118 13.187 8.968 -3.848 1.00 0.00 H new ATOM 0 HG SER A 118 13.076 7.755 -6.315 1.00 0.00 H new ATOM 1309 N LYS A 119 12.172 7.139 -1.543 1.00 0.00 N ATOM 1310 CA LYS A 119 12.473 6.162 -0.445 1.00 0.00 C ATOM 1311 C LYS A 119 11.266 5.311 0.086 1.00 0.00 C ATOM 1312 O LYS A 119 11.445 4.126 0.381 1.00 0.00 O ATOM 1313 CB LYS A 119 13.284 6.876 0.676 1.00 0.00 C ATOM 1314 CG LYS A 119 12.511 7.882 1.569 1.00 0.00 C ATOM 1315 CD LYS A 119 13.405 8.934 2.266 1.00 0.00 C ATOM 1316 CE LYS A 119 12.647 10.212 2.687 1.00 0.00 C ATOM 1317 NZ LYS A 119 12.434 11.110 1.518 1.00 0.00 N ATOM 0 H LYS A 119 12.227 8.116 -1.254 1.00 0.00 H new ATOM 0 HA LYS A 119 13.089 5.383 -0.893 1.00 0.00 H new ATOM 0 HB2 LYS A 119 13.716 6.111 1.322 1.00 0.00 H new ATOM 0 HB3 LYS A 119 14.115 7.405 0.209 1.00 0.00 H new ATOM 0 HG2 LYS A 119 11.772 8.399 0.957 1.00 0.00 H new ATOM 0 HG3 LYS A 119 11.963 7.327 2.330 1.00 0.00 H new ATOM 0 HD2 LYS A 119 13.859 8.484 3.149 1.00 0.00 H new ATOM 0 HD3 LYS A 119 14.218 9.209 1.594 1.00 0.00 H new ATOM 0 HE2 LYS A 119 11.686 9.943 3.124 1.00 0.00 H new ATOM 0 HE3 LYS A 119 13.211 10.738 3.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 11.595 11.702 1.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 13.268 11.718 1.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 12.290 10.537 0.662 1.00 0.00 H new ATOM 1331 N TYR A 120 10.057 5.904 0.183 1.00 0.00 N ATOM 1332 CA TYR A 120 8.785 5.167 0.446 1.00 0.00 C ATOM 1333 C TYR A 120 8.373 4.165 -0.682 1.00 0.00 C ATOM 1334 O TYR A 120 7.955 3.043 -0.386 1.00 0.00 O ATOM 1335 CB TYR A 120 7.626 6.182 0.714 1.00 0.00 C ATOM 1336 CG TYR A 120 7.602 6.849 2.106 1.00 0.00 C ATOM 1337 CD1 TYR A 120 8.617 7.738 2.490 1.00 0.00 C ATOM 1338 CD2 TYR A 120 6.561 6.579 3.000 1.00 0.00 C ATOM 1339 CE1 TYR A 120 8.625 8.282 3.771 1.00 0.00 C ATOM 1340 CE2 TYR A 120 6.557 7.147 4.272 1.00 0.00 C ATOM 1341 CZ TYR A 120 7.607 7.976 4.665 1.00 0.00 C ATOM 1342 OH TYR A 120 7.645 8.477 5.939 1.00 0.00 O ATOM 0 H TYR A 120 9.927 6.911 0.082 1.00 0.00 H new ATOM 0 HA TYR A 120 8.971 4.556 1.329 1.00 0.00 H new ATOM 0 HB2 TYR A 120 7.680 6.968 -0.040 1.00 0.00 H new ATOM 0 HB3 TYR A 120 6.678 5.664 0.568 1.00 0.00 H new ATOM 0 HD1 TYR A 120 9.395 8.001 1.789 1.00 0.00 H new ATOM 0 HD2 TYR A 120 5.754 5.925 2.702 1.00 0.00 H new ATOM 0 HE1 TYR A 120 9.424 8.943 4.071 1.00 0.00 H new ATOM 0 HE2 TYR A 120 5.743 6.946 4.952 1.00 0.00 H new ATOM 0 HH TYR A 120 8.302 9.203 5.986 1.00 0.00 H new ATOM 1352 N CYS A 121 8.482 4.590 -1.952 1.00 0.00 N ATOM 1353 CA CYS A 121 8.094 3.798 -3.134 1.00 0.00 C ATOM 1354 C CYS A 121 9.289 2.965 -3.679 1.00 0.00 C ATOM 1355 O CYS A 121 10.427 3.020 -3.195 1.00 0.00 O ATOM 1356 CB CYS A 121 7.576 4.859 -4.143 1.00 0.00 C ATOM 1357 SG CYS A 121 6.724 4.095 -5.558 1.00 0.00 S ATOM 0 H CYS A 121 8.849 5.511 -2.192 1.00 0.00 H new ATOM 0 HA CYS A 121 7.331 3.050 -2.917 1.00 0.00 H new ATOM 0 HB2 CYS A 121 6.894 5.541 -3.634 1.00 0.00 H new ATOM 0 HB3 CYS A 121 8.414 5.456 -4.503 1.00 0.00 H new ATOM 0 HG CYS A 121 7.578 3.414 -6.262 1.00 0.00 H new ATOM 1363 N TYR A 122 9.011 2.224 -4.760 1.00 0.00 N ATOM 1364 CA TYR A 122 10.043 1.735 -5.710 1.00 0.00 C ATOM 1365 C TYR A 122 10.762 2.928 -6.420 1.00 0.00 C ATOM 1366 O TYR A 122 10.152 3.694 -7.171 1.00 0.00 O ATOM 1367 CB TYR A 122 9.455 0.693 -6.720 1.00 0.00 C ATOM 1368 CG TYR A 122 7.985 0.819 -7.201 1.00 0.00 C ATOM 1369 CD1 TYR A 122 7.545 1.923 -7.943 1.00 0.00 C ATOM 1370 CD2 TYR A 122 7.052 -0.151 -6.815 1.00 0.00 C ATOM 1371 CE1 TYR A 122 6.204 2.059 -8.283 1.00 0.00 C ATOM 1372 CE2 TYR A 122 5.709 -0.014 -7.153 1.00 0.00 C ATOM 1373 CZ TYR A 122 5.288 1.094 -7.883 1.00 0.00 C ATOM 1374 OH TYR A 122 3.967 1.253 -8.182 1.00 0.00 O ATOM 0 H TYR A 122 8.063 1.941 -5.009 1.00 0.00 H new ATOM 0 HA TYR A 122 10.803 1.203 -5.138 1.00 0.00 H new ATOM 0 HB2 TYR A 122 10.088 0.709 -7.607 1.00 0.00 H new ATOM 0 HB3 TYR A 122 9.564 -0.293 -6.268 1.00 0.00 H new ATOM 0 HD1 TYR A 122 8.255 2.676 -8.254 1.00 0.00 H new ATOM 0 HD2 TYR A 122 7.377 -1.012 -6.250 1.00 0.00 H new ATOM 0 HE1 TYR A 122 5.875 2.913 -8.857 1.00 0.00 H new ATOM 0 HE2 TYR A 122 4.995 -0.765 -6.850 1.00 0.00 H new ATOM 0 HH TYR A 122 3.878 1.615 -9.088 1.00 0.00 H new ATOM 1384 N GLY A 123 12.059 3.083 -6.127 1.00 0.00 N ATOM 1385 CA GLY A 123 12.913 4.103 -6.769 1.00 0.00 C ATOM 1386 C GLY A 123 14.369 3.586 -6.816 1.00 0.00 C ATOM 1387 O GLY A 123 14.694 2.926 -7.809 1.00 0.00 O ATOM 0 H GLY A 123 12.550 2.509 -5.441 1.00 0.00 H new ATOM 0 HA2 GLY A 123 12.556 4.312 -7.777 1.00 0.00 H new ATOM 0 HA3 GLY A 123 12.864 5.039 -6.213 1.00 0.00 H new ATOM 1391 N PRO A 124 15.257 3.810 -5.801 1.00 0.00 N ATOM 1392 CA PRO A 124 16.628 3.229 -5.772 1.00 0.00 C ATOM 1393 C PRO A 124 16.666 1.683 -5.560 1.00 0.00 C ATOM 1394 O PRO A 124 17.174 0.971 -6.430 1.00 0.00 O ATOM 1395 CB PRO A 124 17.322 4.067 -4.677 1.00 0.00 C ATOM 1396 CG PRO A 124 16.202 4.514 -3.734 1.00 0.00 C ATOM 1397 CD PRO A 124 14.978 4.674 -4.638 1.00 0.00 C ATOM 0 HA PRO A 124 17.146 3.296 -6.729 1.00 0.00 H new ATOM 0 HB2 PRO A 124 18.070 3.478 -4.147 1.00 0.00 H new ATOM 0 HB3 PRO A 124 17.839 4.925 -5.107 1.00 0.00 H new ATOM 0 HG2 PRO A 124 16.024 3.776 -2.952 1.00 0.00 H new ATOM 0 HG3 PRO A 124 16.453 5.451 -3.237 1.00 0.00 H new ATOM 0 HD2 PRO A 124 14.065 4.368 -4.127 1.00 0.00 H new ATOM 0 HD3 PRO A 124 14.841 5.712 -4.940 1.00 0.00 H new ATOM 1405 N GLN A 125 16.072 1.177 -4.456 1.00 0.00 N ATOM 1406 CA GLN A 125 15.648 -0.239 -4.343 1.00 0.00 C ATOM 1407 C GLN A 125 14.194 -0.298 -4.888 1.00 0.00 C ATOM 1408 O GLN A 125 13.244 0.133 -4.222 1.00 0.00 O ATOM 1409 CB GLN A 125 15.759 -0.699 -2.865 1.00 0.00 C ATOM 1410 CG GLN A 125 15.467 -2.202 -2.644 1.00 0.00 C ATOM 1411 CD GLN A 125 15.503 -2.615 -1.164 1.00 0.00 C ATOM 1412 OE1 GLN A 125 14.515 -2.485 -0.443 1.00 0.00 O ATOM 1413 NE2 GLN A 125 16.628 -3.124 -0.684 1.00 0.00 N ATOM 0 H GLN A 125 15.874 1.733 -3.624 1.00 0.00 H new ATOM 0 HA GLN A 125 16.280 -0.917 -4.917 1.00 0.00 H new ATOM 0 HB2 GLN A 125 16.763 -0.478 -2.502 1.00 0.00 H new ATOM 0 HB3 GLN A 125 15.066 -0.113 -2.261 1.00 0.00 H new ATOM 0 HG2 GLN A 125 14.487 -2.439 -3.057 1.00 0.00 H new ATOM 0 HG3 GLN A 125 16.197 -2.792 -3.197 1.00 0.00 H new ATOM 0 HE21 GLN A 125 17.441 -3.227 -1.291 1.00 0.00 H new ATOM 0 HE22 GLN A 125 16.681 -3.413 0.293 1.00 0.00 H new ATOM 1422 N GLY A 126 14.058 -0.801 -6.121 1.00 0.00 N ATOM 1423 CA GLY A 126 12.760 -0.802 -6.816 1.00 0.00 C ATOM 1424 C GLY A 126 12.739 -1.780 -7.992 1.00 0.00 C ATOM 1425 O GLY A 126 12.840 -2.994 -7.790 1.00 0.00 O ATOM 0 H GLY A 126 14.823 -1.210 -6.657 1.00 0.00 H new ATOM 0 HA2 GLY A 126 11.972 -1.066 -6.111 1.00 0.00 H new ATOM 0 HA3 GLY A 126 12.541 0.203 -7.177 1.00 0.00 H new ATOM 1429 N ARG A 127 12.526 -1.243 -9.206 1.00 0.00 N ATOM 1430 CA ARG A 127 12.188 -2.075 -10.401 1.00 0.00 C ATOM 1431 C ARG A 127 12.879 -1.537 -11.702 1.00 0.00 C ATOM 1432 O ARG A 127 12.225 -1.176 -12.687 1.00 0.00 O ATOM 1433 CB ARG A 127 10.628 -2.187 -10.443 1.00 0.00 C ATOM 1434 CG ARG A 127 10.063 -3.585 -10.796 1.00 0.00 C ATOM 1435 CD ARG A 127 8.553 -3.688 -10.485 1.00 0.00 C ATOM 1436 NE ARG A 127 7.956 -4.930 -11.051 1.00 0.00 N ATOM 1437 CZ ARG A 127 6.661 -5.251 -10.994 1.00 0.00 C ATOM 1438 NH1 ARG A 127 5.775 -4.602 -10.278 1.00 0.00 N ATOM 1439 NH2 ARG A 127 6.246 -6.249 -11.713 1.00 0.00 N ATOM 0 H ARG A 127 12.579 -0.242 -9.397 1.00 0.00 H new ATOM 0 HA ARG A 127 12.591 -3.085 -10.331 1.00 0.00 H new ATOM 0 HB2 ARG A 127 10.235 -1.892 -9.470 1.00 0.00 H new ATOM 0 HB3 ARG A 127 10.250 -1.469 -11.171 1.00 0.00 H new ATOM 0 HG2 ARG A 127 10.231 -3.789 -11.854 1.00 0.00 H new ATOM 0 HG3 ARG A 127 10.603 -4.348 -10.235 1.00 0.00 H new ATOM 0 HD2 ARG A 127 8.402 -3.671 -9.406 1.00 0.00 H new ATOM 0 HD3 ARG A 127 8.038 -2.818 -10.893 1.00 0.00 H new ATOM 0 HE ARG A 127 8.584 -5.585 -11.517 1.00 0.00 H new ATOM 0 HH11 ARG A 127 6.061 -3.798 -9.719 1.00 0.00 H new ATOM 0 HH12 ARG A 127 4.800 -4.901 -10.280 1.00 0.00 H new ATOM 0 HH21 ARG A 127 6.903 -6.763 -12.300 1.00 0.00 H new ATOM 0 HH22 ARG A 127 5.263 -6.519 -11.691 1.00 0.00 H new ATOM 1453 N SER A 128 14.226 -1.514 -11.676 1.00 0.00 N ATOM 1454 CA SER A 128 15.073 -0.909 -12.739 1.00 0.00 C ATOM 1455 C SER A 128 15.415 -1.911 -13.901 1.00 0.00 C ATOM 1456 O SER A 128 15.472 -3.117 -13.631 1.00 0.00 O ATOM 1457 CB SER A 128 16.333 -0.339 -12.039 1.00 0.00 C ATOM 1458 OG SER A 128 17.175 -1.361 -11.511 1.00 0.00 O ATOM 0 H SER A 128 14.768 -1.917 -10.912 1.00 0.00 H new ATOM 0 HA SER A 128 14.529 -0.111 -13.243 1.00 0.00 H new ATOM 0 HB2 SER A 128 16.899 0.262 -12.751 1.00 0.00 H new ATOM 0 HB3 SER A 128 16.026 0.327 -11.232 1.00 0.00 H new ATOM 0 HG SER A 128 17.956 -0.952 -11.082 1.00 0.00 H new ATOM 1464 N PRO A 129 15.639 -1.495 -15.187 1.00 0.00 N ATOM 1465 CA PRO A 129 15.834 -0.073 -15.602 1.00 0.00 C ATOM 1466 C PRO A 129 14.588 0.841 -15.829 1.00 0.00 C ATOM 1467 O PRO A 129 14.782 2.045 -16.023 1.00 0.00 O ATOM 1468 CB PRO A 129 16.655 -0.243 -16.896 1.00 0.00 C ATOM 1469 CG PRO A 129 16.177 -1.561 -17.502 1.00 0.00 C ATOM 1470 CD PRO A 129 15.943 -2.448 -16.277 1.00 0.00 C ATOM 0 HA PRO A 129 16.293 0.480 -14.782 1.00 0.00 H new ATOM 0 HB2 PRO A 129 16.488 0.589 -17.580 1.00 0.00 H new ATOM 0 HB3 PRO A 129 17.724 -0.272 -16.684 1.00 0.00 H new ATOM 0 HG2 PRO A 129 15.264 -1.429 -18.083 1.00 0.00 H new ATOM 0 HG3 PRO A 129 16.922 -1.989 -18.172 1.00 0.00 H new ATOM 0 HD2 PRO A 129 15.118 -3.142 -16.440 1.00 0.00 H new ATOM 0 HD3 PRO A 129 16.823 -3.048 -16.047 1.00 0.00 H new ATOM 1478 N TYR A 130 13.345 0.317 -15.797 1.00 0.00 N ATOM 1479 CA TYR A 130 12.105 1.119 -16.019 1.00 0.00 C ATOM 1480 C TYR A 130 11.874 2.232 -14.951 1.00 0.00 C ATOM 1481 O TYR A 130 11.784 3.408 -15.315 1.00 0.00 O ATOM 1482 CB TYR A 130 10.867 0.182 -16.152 1.00 0.00 C ATOM 1483 CG TYR A 130 10.773 -0.613 -17.466 1.00 0.00 C ATOM 1484 CD1 TYR A 130 10.107 -0.071 -18.571 1.00 0.00 C ATOM 1485 CD2 TYR A 130 11.356 -1.881 -17.570 1.00 0.00 C ATOM 1486 CE1 TYR A 130 10.036 -0.782 -19.766 1.00 0.00 C ATOM 1487 CE2 TYR A 130 11.289 -2.588 -18.767 1.00 0.00 C ATOM 1488 CZ TYR A 130 10.629 -2.039 -19.866 1.00 0.00 C ATOM 1489 OH TYR A 130 10.562 -2.736 -21.044 1.00 0.00 O ATOM 0 H TYR A 130 13.164 -0.671 -15.618 1.00 0.00 H new ATOM 0 HA TYR A 130 12.246 1.653 -16.959 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.877 -0.524 -15.321 1.00 0.00 H new ATOM 0 HB3 TYR A 130 9.965 0.785 -16.048 1.00 0.00 H new ATOM 0 HD1 TYR A 130 9.646 0.903 -18.497 1.00 0.00 H new ATOM 0 HD2 TYR A 130 11.860 -2.313 -16.718 1.00 0.00 H new ATOM 0 HE1 TYR A 130 9.521 -0.359 -20.616 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.748 -3.562 -18.845 1.00 0.00 H new ATOM 0 HH TYR A 130 11.027 -3.593 -20.944 1.00 0.00 H new ATOM 1499 N ILE A 131 11.795 1.861 -13.661 1.00 0.00 N ATOM 1500 CA ILE A 131 11.515 2.800 -12.542 1.00 0.00 C ATOM 1501 C ILE A 131 12.901 3.341 -12.019 1.00 0.00 C ATOM 1502 O ILE A 131 13.707 2.519 -11.562 1.00 0.00 O ATOM 1503 CB ILE A 131 10.593 2.050 -11.513 1.00 0.00 C ATOM 1504 CG1 ILE A 131 9.130 1.918 -12.057 1.00 0.00 C ATOM 1505 CG2 ILE A 131 10.567 2.712 -10.118 1.00 0.00 C ATOM 1506 CD1 ILE A 131 8.267 0.796 -11.458 1.00 0.00 C ATOM 0 H ILE A 131 11.923 0.896 -13.356 1.00 0.00 H new ATOM 0 HA ILE A 131 10.954 3.694 -12.815 1.00 0.00 H new ATOM 0 HB ILE A 131 11.032 1.060 -11.394 1.00 0.00 H new ATOM 0 HG12 ILE A 131 8.619 2.866 -11.890 1.00 0.00 H new ATOM 0 HG13 ILE A 131 9.181 1.769 -13.136 1.00 0.00 H new ATOM 0 HG21 ILE A 131 9.912 2.144 -9.458 1.00 0.00 H new ATOM 0 HG22 ILE A 131 11.575 2.727 -9.704 1.00 0.00 H new ATOM 0 HG23 ILE A 131 10.196 3.733 -10.207 1.00 0.00 H new ATOM 0 HD11 ILE A 131 7.279 0.812 -11.918 1.00 0.00 H new ATOM 0 HD12 ILE A 131 8.740 -0.168 -11.648 1.00 0.00 H new ATOM 0 HD13 ILE A 131 8.169 0.947 -10.383 1.00 0.00 H new ATOM 1518 N PRO A 132 13.234 4.669 -12.072 1.00 0.00 N ATOM 1519 CA PRO A 132 14.625 5.164 -11.860 1.00 0.00 C ATOM 1520 C PRO A 132 15.044 5.430 -10.370 1.00 0.00 C ATOM 1521 O PRO A 132 14.159 5.645 -9.535 1.00 0.00 O ATOM 1522 CB PRO A 132 14.603 6.478 -12.671 1.00 0.00 C ATOM 1523 CG PRO A 132 13.173 7.003 -12.542 1.00 0.00 C ATOM 1524 CD PRO A 132 12.329 5.729 -12.573 1.00 0.00 C ATOM 0 HA PRO A 132 15.361 4.419 -12.164 1.00 0.00 H new ATOM 0 HB2 PRO A 132 15.323 7.196 -12.278 1.00 0.00 H new ATOM 0 HB3 PRO A 132 14.865 6.302 -13.714 1.00 0.00 H new ATOM 0 HG2 PRO A 132 13.030 7.558 -11.615 1.00 0.00 H new ATOM 0 HG3 PRO A 132 12.916 7.676 -13.360 1.00 0.00 H new ATOM 0 HD2 PRO A 132 11.444 5.824 -11.944 1.00 0.00 H new ATOM 0 HD3 PRO A 132 11.981 5.509 -13.582 1.00 0.00 H new ATOM 1532 N PRO A 133 16.364 5.516 -10.009 1.00 0.00 N ATOM 1533 CA PRO A 133 16.813 6.009 -8.679 1.00 0.00 C ATOM 1534 C PRO A 133 16.580 7.539 -8.497 1.00 0.00 C ATOM 1535 O PRO A 133 16.893 8.333 -9.391 1.00 0.00 O ATOM 1536 CB PRO A 133 18.306 5.625 -8.674 1.00 0.00 C ATOM 1537 CG PRO A 133 18.734 5.636 -10.142 1.00 0.00 C ATOM 1538 CD PRO A 133 17.490 5.169 -10.901 1.00 0.00 C ATOM 0 HA PRO A 133 16.257 5.577 -7.847 1.00 0.00 H new ATOM 0 HB2 PRO A 133 18.892 6.334 -8.089 1.00 0.00 H new ATOM 0 HB3 PRO A 133 18.457 4.642 -8.228 1.00 0.00 H new ATOM 0 HG2 PRO A 133 19.043 6.632 -10.459 1.00 0.00 H new ATOM 0 HG3 PRO A 133 19.579 4.970 -10.315 1.00 0.00 H new ATOM 0 HD2 PRO A 133 17.402 5.669 -11.865 1.00 0.00 H new ATOM 0 HD3 PRO A 133 17.524 4.098 -11.099 1.00 0.00 H new ATOM 1546 N HIS A 134 15.986 7.926 -7.350 1.00 0.00 N ATOM 1547 CA HIS A 134 15.499 9.321 -7.094 1.00 0.00 C ATOM 1548 C HIS A 134 14.225 9.673 -7.943 1.00 0.00 C ATOM 1549 O HIS A 134 13.758 8.874 -8.763 1.00 0.00 O ATOM 1550 CB HIS A 134 16.623 10.413 -7.107 1.00 0.00 C ATOM 1551 CG HIS A 134 17.752 10.223 -6.090 1.00 0.00 C ATOM 1552 ND1 HIS A 134 17.696 10.633 -4.770 1.00 0.00 N ATOM 1553 CD2 HIS A 134 19.001 9.631 -6.353 1.00 0.00 C ATOM 1554 CE1 HIS A 134 18.940 10.242 -4.350 1.00 0.00 C ATOM 1555 NE2 HIS A 134 19.805 9.628 -5.222 1.00 0.00 N ATOM 0 H HIS A 134 15.825 7.291 -6.568 1.00 0.00 H new ATOM 0 HA HIS A 134 15.166 9.335 -6.056 1.00 0.00 H new ATOM 0 HB2 HIS A 134 17.061 10.444 -8.105 1.00 0.00 H new ATOM 0 HB3 HIS A 134 16.161 11.384 -6.931 1.00 0.00 H new ATOM 0 HD2 HIS A 134 19.296 9.231 -7.312 1.00 0.00 H new ATOM 0 HE1 HIS A 134 19.242 10.418 -3.328 1.00 0.00 H new ATOM 0 HE2 HIS A 134 20.752 9.276 -5.081 1.00 0.00 H new ATOM 1563 N ALA A 135 13.641 10.869 -7.703 1.00 0.00 N ATOM 1564 CA ALA A 135 12.416 11.376 -8.385 1.00 0.00 C ATOM 1565 C ALA A 135 11.123 10.744 -7.802 1.00 0.00 C ATOM 1566 O ALA A 135 10.928 9.525 -7.871 1.00 0.00 O ATOM 1567 CB ALA A 135 12.437 11.338 -9.932 1.00 0.00 C ATOM 0 H ALA A 135 14.011 11.526 -7.017 1.00 0.00 H new ATOM 0 HA ALA A 135 12.413 12.441 -8.155 1.00 0.00 H new ATOM 0 HB1 ALA A 135 11.496 11.730 -10.318 1.00 0.00 H new ATOM 0 HB2 ALA A 135 13.262 11.948 -10.300 1.00 0.00 H new ATOM 0 HB3 ALA A 135 12.567 10.310 -10.269 1.00 0.00 H new ATOM 1573 N ALA A 136 10.246 11.597 -7.242 1.00 0.00 N ATOM 1574 CA ALA A 136 8.962 11.170 -6.635 1.00 0.00 C ATOM 1575 C ALA A 136 7.863 10.991 -7.723 1.00 0.00 C ATOM 1576 O ALA A 136 7.251 11.964 -8.176 1.00 0.00 O ATOM 1577 CB ALA A 136 8.574 12.224 -5.577 1.00 0.00 C ATOM 0 H ALA A 136 10.403 12.604 -7.195 1.00 0.00 H new ATOM 0 HA ALA A 136 9.066 10.197 -6.155 1.00 0.00 H new ATOM 0 HB1 ALA A 136 7.631 11.940 -5.109 1.00 0.00 H new ATOM 0 HB2 ALA A 136 9.353 12.281 -4.817 1.00 0.00 H new ATOM 0 HB3 ALA A 136 8.463 13.197 -6.056 1.00 0.00 H new ATOM 1583 N LEU A 137 7.653 9.731 -8.154 1.00 0.00 N ATOM 1584 CA LEU A 137 6.771 9.397 -9.308 1.00 0.00 C ATOM 1585 C LEU A 137 5.300 9.109 -8.879 1.00 0.00 C ATOM 1586 O LEU A 137 5.033 8.613 -7.779 1.00 0.00 O ATOM 1587 CB LEU A 137 7.416 8.289 -10.199 1.00 0.00 C ATOM 1588 CG LEU A 137 7.375 6.791 -9.770 1.00 0.00 C ATOM 1589 CD1 LEU A 137 7.850 5.882 -10.923 1.00 0.00 C ATOM 1590 CD2 LEU A 137 8.222 6.476 -8.522 1.00 0.00 C ATOM 0 H LEU A 137 8.084 8.915 -7.720 1.00 0.00 H new ATOM 0 HA LEU A 137 6.690 10.282 -9.940 1.00 0.00 H new ATOM 0 HB2 LEU A 137 6.945 8.353 -11.180 1.00 0.00 H new ATOM 0 HB3 LEU A 137 8.465 8.555 -10.331 1.00 0.00 H new ATOM 0 HG LEU A 137 6.333 6.593 -9.519 1.00 0.00 H new ATOM 0 HD11 LEU A 137 7.814 4.840 -10.604 1.00 0.00 H new ATOM 0 HD12 LEU A 137 7.199 6.019 -11.786 1.00 0.00 H new ATOM 0 HD13 LEU A 137 8.873 6.143 -11.194 1.00 0.00 H new ATOM 0 HD21 LEU A 137 8.142 5.415 -8.287 1.00 0.00 H new ATOM 0 HD22 LEU A 137 9.265 6.727 -8.717 1.00 0.00 H new ATOM 0 HD23 LEU A 137 7.859 7.063 -7.678 1.00 0.00 H new ATOM 1602 N CYS A 138 4.353 9.432 -9.782 1.00 0.00 N ATOM 1603 CA CYS A 138 2.899 9.266 -9.535 1.00 0.00 C ATOM 1604 C CYS A 138 2.389 7.853 -9.923 1.00 0.00 C ATOM 1605 O CYS A 138 2.889 7.223 -10.858 1.00 0.00 O ATOM 1606 CB CYS A 138 2.133 10.372 -10.288 1.00 0.00 C ATOM 1607 SG CYS A 138 2.306 10.215 -12.098 1.00 0.00 S ATOM 0 H CYS A 138 4.569 9.815 -10.702 1.00 0.00 H new ATOM 0 HA CYS A 138 2.717 9.362 -8.465 1.00 0.00 H new ATOM 0 HB2 CYS A 138 1.077 10.328 -10.020 1.00 0.00 H new ATOM 0 HB3 CYS A 138 2.502 11.348 -9.972 1.00 0.00 H new ATOM 0 HG CYS A 138 3.333 9.467 -12.372 1.00 0.00 H new ATOM 1613 N LEU A 139 1.388 7.356 -9.181 1.00 0.00 N ATOM 1614 CA LEU A 139 0.877 5.972 -9.334 1.00 0.00 C ATOM 1615 C LEU A 139 -0.603 5.939 -8.871 1.00 0.00 C ATOM 1616 O LEU A 139 -0.891 6.081 -7.678 1.00 0.00 O ATOM 1617 CB LEU A 139 1.804 4.941 -8.628 1.00 0.00 C ATOM 1618 CG LEU A 139 2.091 5.107 -7.097 1.00 0.00 C ATOM 1619 CD1 LEU A 139 1.394 4.038 -6.237 1.00 0.00 C ATOM 1620 CD2 LEU A 139 3.599 5.146 -6.784 1.00 0.00 C ATOM 0 H LEU A 139 0.907 7.893 -8.460 1.00 0.00 H new ATOM 0 HA LEU A 139 0.894 5.667 -10.380 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.371 3.952 -8.777 1.00 0.00 H new ATOM 0 HB3 LEU A 139 2.763 4.951 -9.146 1.00 0.00 H new ATOM 0 HG LEU A 139 1.664 6.073 -6.829 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.630 4.205 -5.186 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.315 4.102 -6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.742 3.049 -6.534 1.00 0.00 H new ATOM 0 HD21 LEU A 139 3.745 5.262 -5.710 1.00 0.00 H new ATOM 0 HD22 LEU A 139 4.063 4.217 -7.115 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.057 5.986 -7.305 1.00 0.00 H new ATOM 1632 N GLU A 140 -1.547 5.779 -9.819 1.00 0.00 N ATOM 1633 CA GLU A 140 -3.002 5.894 -9.529 1.00 0.00 C ATOM 1634 C GLU A 140 -3.597 4.554 -8.993 1.00 0.00 C ATOM 1635 O GLU A 140 -3.545 3.509 -9.651 1.00 0.00 O ATOM 1636 CB GLU A 140 -3.722 6.430 -10.791 1.00 0.00 C ATOM 1637 CG GLU A 140 -5.179 6.903 -10.541 1.00 0.00 C ATOM 1638 CD GLU A 140 -5.812 7.606 -11.729 1.00 0.00 C ATOM 1639 OE1 GLU A 140 -6.378 6.917 -12.604 1.00 0.00 O ATOM 1640 OE2 GLU A 140 -5.764 8.853 -11.777 1.00 0.00 O ATOM 0 H GLU A 140 -1.334 5.570 -10.794 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.162 6.608 -8.721 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -3.147 7.262 -11.198 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -3.731 5.648 -11.550 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -5.790 6.040 -10.275 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -5.189 7.577 -9.685 1.00 0.00 H new ATOM 1647 N VAL A 141 -4.152 4.631 -7.774 1.00 0.00 N ATOM 1648 CA VAL A 141 -4.647 3.457 -7.004 1.00 0.00 C ATOM 1649 C VAL A 141 -6.197 3.481 -7.132 1.00 0.00 C ATOM 1650 O VAL A 141 -6.873 4.339 -6.553 1.00 0.00 O ATOM 1651 CB VAL A 141 -4.147 3.516 -5.520 1.00 0.00 C ATOM 1652 CG1 VAL A 141 -4.685 2.355 -4.648 1.00 0.00 C ATOM 1653 CG2 VAL A 141 -2.602 3.504 -5.403 1.00 0.00 C ATOM 0 H VAL A 141 -4.276 5.515 -7.281 1.00 0.00 H new ATOM 0 HA VAL A 141 -4.261 2.515 -7.393 1.00 0.00 H new ATOM 0 HB VAL A 141 -4.541 4.464 -5.153 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -4.302 2.455 -3.633 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -5.774 2.388 -4.629 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -4.358 1.403 -5.067 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -2.316 3.547 -4.352 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -2.210 2.590 -5.849 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -2.191 4.367 -5.926 1.00 0.00 H new ATOM 1663 N THR A 142 -6.725 2.514 -7.897 1.00 0.00 N ATOM 1664 CA THR A 142 -8.173 2.415 -8.208 1.00 0.00 C ATOM 1665 C THR A 142 -8.671 1.088 -7.574 1.00 0.00 C ATOM 1666 O THR A 142 -8.409 0.005 -8.105 1.00 0.00 O ATOM 1667 CB THR A 142 -8.362 2.526 -9.753 1.00 0.00 C ATOM 1668 OG1 THR A 142 -7.901 3.798 -10.202 1.00 0.00 O ATOM 1669 CG2 THR A 142 -9.807 2.364 -10.257 1.00 0.00 C ATOM 0 H THR A 142 -6.166 1.774 -8.322 1.00 0.00 H new ATOM 0 HA THR A 142 -8.774 3.222 -7.789 1.00 0.00 H new ATOM 0 HB THR A 142 -7.787 1.693 -10.157 1.00 0.00 H new ATOM 0 HG1 THR A 142 -8.019 3.865 -11.173 1.00 0.00 H new ATOM 0 HG21 THR A 142 -9.826 2.458 -11.343 1.00 0.00 H new ATOM 0 HG22 THR A 142 -10.184 1.382 -9.971 1.00 0.00 H new ATOM 0 HG23 THR A 142 -10.435 3.137 -9.814 1.00 0.00 H new ATOM 1677 N LEU A 143 -9.396 1.179 -6.439 1.00 0.00 N ATOM 1678 CA LEU A 143 -9.862 -0.009 -5.664 1.00 0.00 C ATOM 1679 C LEU A 143 -10.970 -0.772 -6.443 1.00 0.00 C ATOM 1680 O LEU A 143 -12.072 -0.251 -6.648 1.00 0.00 O ATOM 1681 CB LEU A 143 -10.339 0.477 -4.261 1.00 0.00 C ATOM 1682 CG LEU A 143 -10.594 -0.534 -3.106 1.00 0.00 C ATOM 1683 CD1 LEU A 143 -11.658 -1.612 -3.379 1.00 0.00 C ATOM 1684 CD2 LEU A 143 -9.306 -1.186 -2.585 1.00 0.00 C ATOM 0 H LEU A 143 -9.678 2.069 -6.029 1.00 0.00 H new ATOM 0 HA LEU A 143 -9.047 -0.720 -5.525 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -9.598 1.191 -3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -11.267 1.029 -4.413 1.00 0.00 H new ATOM 0 HG LEU A 143 -11.012 0.104 -2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -11.752 -2.260 -2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -12.617 -1.134 -3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -11.360 -2.207 -4.242 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -9.549 -1.881 -1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -8.818 -1.726 -3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -8.635 -0.415 -2.207 1.00 0.00 H new ATOM 1696 N LYS A 144 -10.649 -2.008 -6.863 1.00 0.00 N ATOM 1697 CA LYS A 144 -11.595 -2.878 -7.619 1.00 0.00 C ATOM 1698 C LYS A 144 -12.550 -3.691 -6.690 1.00 0.00 C ATOM 1699 O LYS A 144 -13.769 -3.533 -6.810 1.00 0.00 O ATOM 1700 CB LYS A 144 -10.820 -3.768 -8.634 1.00 0.00 C ATOM 1701 CG LYS A 144 -10.085 -2.992 -9.757 1.00 0.00 C ATOM 1702 CD LYS A 144 -9.618 -3.844 -10.958 1.00 0.00 C ATOM 1703 CE LYS A 144 -8.453 -4.813 -10.675 1.00 0.00 C ATOM 1704 NZ LYS A 144 -8.932 -6.181 -10.351 1.00 0.00 N ATOM 0 H LYS A 144 -9.739 -2.438 -6.695 1.00 0.00 H new ATOM 0 HA LYS A 144 -12.258 -2.230 -8.192 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -10.090 -4.365 -8.087 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -11.521 -4.465 -9.093 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -10.746 -2.208 -10.125 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -9.215 -2.498 -9.324 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -10.467 -4.422 -11.322 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -9.321 -3.172 -11.763 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -7.797 -4.855 -11.545 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -7.858 -4.432 -9.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -8.258 -6.641 -9.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -9.864 -6.123 -9.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -9.010 -6.738 -11.226 1.00 0.00 H new ATOM 1718 N THR A 145 -12.010 -4.567 -5.814 1.00 0.00 N ATOM 1719 CA THR A 145 -12.828 -5.445 -4.929 1.00 0.00 C ATOM 1720 C THR A 145 -12.127 -5.573 -3.546 1.00 0.00 C ATOM 1721 O THR A 145 -10.930 -5.867 -3.469 1.00 0.00 O ATOM 1722 CB THR A 145 -13.094 -6.860 -5.536 1.00 0.00 C ATOM 1723 OG1 THR A 145 -11.879 -7.579 -5.735 1.00 0.00 O ATOM 1724 CG2 THR A 145 -13.880 -6.876 -6.859 1.00 0.00 C ATOM 0 H THR A 145 -11.004 -4.690 -5.696 1.00 0.00 H new ATOM 0 HA THR A 145 -13.805 -4.975 -4.819 1.00 0.00 H new ATOM 0 HB THR A 145 -13.722 -7.340 -4.786 1.00 0.00 H new ATOM 0 HG1 THR A 145 -12.079 -8.460 -6.114 1.00 0.00 H new ATOM 0 HG21 THR A 145 -14.009 -7.905 -7.193 1.00 0.00 H new ATOM 0 HG22 THR A 145 -14.857 -6.418 -6.707 1.00 0.00 H new ATOM 0 HG23 THR A 145 -13.331 -6.316 -7.615 1.00 0.00 H new ATOM 1732 N ALA A 146 -12.903 -5.413 -2.458 1.00 0.00 N ATOM 1733 CA ALA A 146 -12.441 -5.737 -1.082 1.00 0.00 C ATOM 1734 C ALA A 146 -13.194 -7.004 -0.605 1.00 0.00 C ATOM 1735 O ALA A 146 -14.370 -6.941 -0.227 1.00 0.00 O ATOM 1736 CB ALA A 146 -12.666 -4.533 -0.152 1.00 0.00 C ATOM 0 H ALA A 146 -13.859 -5.060 -2.499 1.00 0.00 H new ATOM 0 HA ALA A 146 -11.371 -5.944 -1.068 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -12.324 -4.781 0.853 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -12.106 -3.676 -0.525 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -13.728 -4.288 -0.124 1.00 0.00 H new ATOM 1742 N VAL A 147 -12.503 -8.155 -0.675 1.00 0.00 N ATOM 1743 CA VAL A 147 -13.107 -9.499 -0.432 1.00 0.00 C ATOM 1744 C VAL A 147 -12.396 -10.165 0.777 1.00 0.00 C ATOM 1745 O VAL A 147 -11.165 -10.212 0.844 1.00 0.00 O ATOM 1746 CB VAL A 147 -13.100 -10.417 -1.705 1.00 0.00 C ATOM 1747 CG1 VAL A 147 -14.176 -9.985 -2.722 1.00 0.00 C ATOM 1748 CG2 VAL A 147 -11.736 -10.582 -2.421 1.00 0.00 C ATOM 0 H VAL A 147 -11.509 -8.192 -0.901 1.00 0.00 H new ATOM 0 HA VAL A 147 -14.162 -9.360 -0.195 1.00 0.00 H new ATOM 0 HB VAL A 147 -13.332 -11.403 -1.302 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -14.141 -10.643 -3.590 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -15.161 -10.047 -2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -13.988 -8.959 -3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 147 -11.855 -11.237 -3.284 1.00 0.00 H new ATOM 0 HG22 VAL A 147 -11.378 -9.607 -2.752 1.00 0.00 H new ATOM 0 HG23 VAL A 147 -11.014 -11.019 -1.731 1.00 0.00 H new ATOM 1758 N ASP A 148 -13.190 -10.708 1.716 1.00 0.00 N ATOM 1759 CA ASP A 148 -12.685 -11.340 2.967 1.00 0.00 C ATOM 1760 C ASP A 148 -12.301 -12.853 2.801 1.00 0.00 C ATOM 1761 O ASP A 148 -12.982 -13.764 3.286 1.00 0.00 O ATOM 1762 CB ASP A 148 -13.691 -11.013 4.112 1.00 0.00 C ATOM 1763 CG ASP A 148 -15.149 -11.476 3.978 1.00 0.00 C ATOM 1764 OD1 ASP A 148 -15.829 -11.057 3.014 1.00 0.00 O ATOM 1765 OD2 ASP A 148 -15.627 -12.226 4.855 1.00 0.00 O ATOM 0 H ASP A 148 -14.207 -10.725 1.637 1.00 0.00 H new ATOM 0 HA ASP A 148 -11.722 -10.910 3.242 1.00 0.00 H new ATOM 0 HB2 ASP A 148 -13.293 -11.442 5.032 1.00 0.00 H new ATOM 0 HB3 ASP A 148 -13.700 -9.931 4.243 1.00 0.00 H new ATOM 1770 N GLY A 149 -11.165 -13.098 2.118 1.00 0.00 N ATOM 1771 CA GLY A 149 -10.625 -14.460 1.901 1.00 0.00 C ATOM 1772 C GLY A 149 -11.350 -15.270 0.794 1.00 0.00 C ATOM 1773 O GLY A 149 -12.215 -16.068 1.165 1.00 0.00 O ATOM 0 H GLY A 149 -10.596 -12.361 1.701 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -9.569 -14.382 1.644 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -10.685 -15.014 2.838 1.00 0.00 H new