USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1047 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 112 LYS NZ :NH3+ -176:sc= 2.91 (180deg=2.06) USER MOD Set 1.2: A 127 THR OG1 : rot -87:sc= 1.84 USER MOD Set 2.1: A 13 SER OG : rot 69:sc= 0.995 USER MOD Set 2.2: A 124 CYS SG : rot 80:sc= 1.47 USER MOD Set 3.1: A 100 GLN : amide:sc= 1.24 K(o=1.4,f=-2.8!) USER MOD Set 3.2: A 119 HIS : +bothHN:sc= 0.152 K(o=1.4,f=-8.9!) USER MOD Set 4.1: A 103 SER OG : rot 65:sc= 1.17 USER MOD Set 4.2: A 118 THR OG1 : rot -31:sc= 1.96 USER MOD Set 5.1: A 82 SER OG : rot 156:sc= 1.62 USER MOD Set 5.2: A 93 HIS : no HD1:sc= -0.743 K(o=1.1,f=-4.5!) USER MOD Set 5.3: A 95 GLN : amide:sc= 0.218 K(o=1.1,f=-1.5) USER MOD Set 6.1: A 53 THR OG1 : rot -178:sc= 1.28 USER MOD Set 6.2: A 59 ASN : amide:sc= 1.2 K(o=4.3,f=-3.3!) USER MOD Set 6.3: A 60 THR OG1 : rot 170:sc= 0.459 USER MOD Set 6.4: A 74 THR OG1 : rot -96:sc= 1.31 USER MOD Set 7.1: A 52 LYS NZ :NH3+ -167:sc= 1.18 (180deg=0) USER MOD Set 7.2: A 54 GLN : amide:sc= 0.959 K(o=2.1,f=-6.7!) USER MOD Set 8.1: A 40 THR OG1 : rot -59:sc= 1.71 USER MOD Set 8.2: A 128 TYR OH : rot 140:sc= 1.27 USER MOD Set 9.1: A 36 THR OG1 : rot -47:sc= 0.975 USER MOD Set 9.2: A 56 THR OG1 : rot 74:sc= 1.02 USER MOD Set10.1: A 19 TYR OH : rot -147:sc= 0.722 USER MOD Set10.2: A 102 THR OG1 : rot 28:sc= 2.27 USER MOD Single : A 1 VAL N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -147:sc= -0.282 (180deg=-1.52) USER MOD Single : A 14 LYS NZ :NH3+ 169:sc= -0.0048 (180deg=-0.109) USER MOD Single : A 15 ASN : amide:sc= 0.999 K(o=1,f=-1.2) USER MOD Single : A 20 MET CE :methyl -168:sc= -0.169 (180deg=-0.322) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 51:sc= 1.1 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.152 USER MOD Single : A 31 GLN : amide:sc= 0.935 K(o=0.93,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.442 K(o=-0.44,f=-2.1!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00208) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.397 X(o=0.4,f=-0.0017) USER MOD Single : A 48 THR OG1 : rot -76:sc= 1.36 USER MOD Single : A 55 SER OG : rot 180:sc= 0.461 USER MOD Single : A 58 LYS NZ :NH3+ 152:sc= 1.18 (180deg=1.01) USER MOD Single : A 63 SER OG : rot 52:sc= 0.564 USER MOD Single : A 65 LYS NZ :NH3+ -132:sc= 1.73 (180deg=0.616) USER MOD Single : A 73 THR OG1 : rot 61:sc= 1.04 USER MOD Single : A 79 LYS NZ :NH3+ -151:sc= 1.18 (180deg=0.947) USER MOD Single : A 81 LYS NZ :NH3+ -152:sc= 1.15 (180deg=-0.448!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 164:sc= 1.23 (180deg=1.12) USER MOD Single : A 96 LYS NZ :NH3+ 161:sc= 1.13 (180deg=1.09) USER MOD Single : A 98 ASN : amide:sc= -1.63 K(o=-1.6,f=-2.7) USER MOD Single : A 108 MET CE :methyl 178:sc=-0.00644 (180deg=-0.011) USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0.0387 USER MOD Single : A 130 LYS NZ :NH3+ 174:sc= 1.56 (180deg=1.46) USER MOD Single : A 131 GLN : amide:sc= -0.103 K(o=-0.1,f=-2.4) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 12.202 -12.177 -3.164 1.00 0.00 N ATOM 2 CA VAL A 1 12.232 -11.365 -1.959 1.00 0.00 C ATOM 3 C VAL A 1 13.067 -10.099 -2.189 1.00 0.00 C ATOM 4 O VAL A 1 12.578 -8.990 -1.976 1.00 0.00 O ATOM 5 CB VAL A 1 12.637 -12.218 -0.738 1.00 0.00 C ATOM 6 CG1 VAL A 1 13.992 -12.922 -0.859 1.00 0.00 C ATOM 7 CG2 VAL A 1 12.629 -11.401 0.556 1.00 0.00 C ATOM 0 H1 VAL A 1 11.633 -13.031 -2.993 1.00 0.00 H new ATOM 0 H2 VAL A 1 11.780 -11.630 -3.941 1.00 0.00 H new ATOM 0 H3 VAL A 1 13.171 -12.453 -3.421 1.00 0.00 H new ATOM 0 HA VAL A 1 11.233 -11.001 -1.720 1.00 0.00 H new ATOM 0 HB VAL A 1 11.873 -12.995 -0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 1 14.186 -13.495 0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 1 13.978 -13.594 -1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 1 14.778 -12.178 -0.994 1.00 0.00 H new ATOM 0 HG21 VAL A 1 12.920 -12.039 1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 1 13.334 -10.574 0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 1 11.628 -11.007 0.732 1.00 0.00 H new ATOM 19 N ASP A 2 14.286 -10.248 -2.711 1.00 0.00 N ATOM 20 CA ASP A 2 15.214 -9.177 -3.080 1.00 0.00 C ATOM 21 C ASP A 2 14.541 -8.137 -3.982 1.00 0.00 C ATOM 22 O ASP A 2 14.790 -6.928 -3.900 1.00 0.00 O ATOM 23 CB ASP A 2 16.403 -9.791 -3.842 1.00 0.00 C ATOM 24 CG ASP A 2 16.962 -11.044 -3.182 1.00 0.00 C ATOM 25 OD1 ASP A 2 16.197 -12.037 -3.168 1.00 0.00 O ATOM 26 OD2 ASP A 2 18.112 -10.979 -2.702 1.00 0.00 O ATOM 0 H ASP A 2 14.674 -11.172 -2.898 1.00 0.00 H new ATOM 0 HA ASP A 2 15.544 -8.681 -2.167 1.00 0.00 H new ATOM 0 HB2 ASP A 2 16.088 -10.034 -4.857 1.00 0.00 H new ATOM 0 HB3 ASP A 2 17.196 -9.048 -3.923 1.00 0.00 H new ATOM 31 N ALA A 3 13.685 -8.654 -4.865 1.00 0.00 N ATOM 32 CA ALA A 3 12.925 -7.919 -5.860 1.00 0.00 C ATOM 33 C ALA A 3 11.898 -6.987 -5.217 1.00 0.00 C ATOM 34 O ALA A 3 11.387 -6.097 -5.891 1.00 0.00 O ATOM 35 CB ALA A 3 12.226 -8.930 -6.775 1.00 0.00 C ATOM 0 H ALA A 3 13.498 -9.656 -4.901 1.00 0.00 H new ATOM 0 HA ALA A 3 13.607 -7.291 -6.434 1.00 0.00 H new ATOM 0 HB1 ALA A 3 11.649 -8.398 -7.531 1.00 0.00 H new ATOM 0 HB2 ALA A 3 12.973 -9.556 -7.263 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.559 -9.556 -6.183 1.00 0.00 H new ATOM 41 N PHE A 4 11.590 -7.200 -3.935 1.00 0.00 N ATOM 42 CA PHE A 4 10.534 -6.514 -3.213 1.00 0.00 C ATOM 43 C PHE A 4 11.114 -5.735 -2.032 1.00 0.00 C ATOM 44 O PHE A 4 10.884 -4.534 -1.924 1.00 0.00 O ATOM 45 CB PHE A 4 9.498 -7.561 -2.786 1.00 0.00 C ATOM 46 CG PHE A 4 8.828 -8.253 -3.960 1.00 0.00 C ATOM 47 CD1 PHE A 4 8.013 -7.511 -4.838 1.00 0.00 C ATOM 48 CD2 PHE A 4 9.135 -9.593 -4.264 1.00 0.00 C ATOM 49 CE1 PHE A 4 7.507 -8.105 -6.007 1.00 0.00 C ATOM 50 CE2 PHE A 4 8.623 -10.187 -5.430 1.00 0.00 C ATOM 51 CZ PHE A 4 7.818 -9.441 -6.306 1.00 0.00 C ATOM 0 H PHE A 4 12.089 -7.878 -3.359 1.00 0.00 H new ATOM 0 HA PHE A 4 10.041 -5.776 -3.846 1.00 0.00 H new ATOM 0 HB2 PHE A 4 9.984 -8.310 -2.161 1.00 0.00 H new ATOM 0 HB3 PHE A 4 8.736 -7.080 -2.173 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.776 -6.482 -4.612 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.765 -10.166 -3.600 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.879 -7.534 -6.675 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.849 -11.219 -5.653 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.438 -9.895 -7.209 1.00 0.00 H new ATOM 61 N VAL A 5 11.872 -6.404 -1.162 1.00 0.00 N ATOM 62 CA VAL A 5 12.454 -5.827 0.044 1.00 0.00 C ATOM 63 C VAL A 5 13.243 -4.552 -0.272 1.00 0.00 C ATOM 64 O VAL A 5 14.322 -4.633 -0.865 1.00 0.00 O ATOM 65 CB VAL A 5 13.324 -6.885 0.747 1.00 0.00 C ATOM 66 CG1 VAL A 5 14.186 -6.277 1.866 1.00 0.00 C ATOM 67 CG2 VAL A 5 12.427 -7.962 1.373 1.00 0.00 C ATOM 0 H VAL A 5 12.103 -7.390 -1.283 1.00 0.00 H new ATOM 0 HA VAL A 5 11.653 -5.532 0.722 1.00 0.00 H new ATOM 0 HB VAL A 5 13.982 -7.310 -0.011 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.782 -7.061 2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 5 14.848 -5.520 1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 5 13.540 -5.818 2.615 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.047 -8.709 1.869 1.00 0.00 H new ATOM 0 HG22 VAL A 5 11.760 -7.501 2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.836 -8.442 0.593 1.00 0.00 H new ATOM 77 N GLY A 6 12.732 -3.387 0.139 1.00 0.00 N ATOM 78 CA GLY A 6 13.471 -2.135 0.143 1.00 0.00 C ATOM 79 C GLY A 6 12.559 -0.914 0.033 1.00 0.00 C ATOM 80 O GLY A 6 11.333 -1.035 -0.006 1.00 0.00 O ATOM 0 H GLY A 6 11.776 -3.293 0.483 1.00 0.00 H new ATOM 0 HA2 GLY A 6 14.056 -2.066 1.060 1.00 0.00 H new ATOM 0 HA3 GLY A 6 14.178 -2.132 -0.687 1.00 0.00 H new ATOM 84 N THR A 7 13.188 0.265 -0.027 1.00 0.00 N ATOM 85 CA THR A 7 12.553 1.555 -0.258 1.00 0.00 C ATOM 86 C THR A 7 12.537 1.840 -1.761 1.00 0.00 C ATOM 87 O THR A 7 13.581 1.743 -2.415 1.00 0.00 O ATOM 88 CB THR A 7 13.331 2.642 0.499 1.00 0.00 C ATOM 89 OG1 THR A 7 13.693 2.164 1.783 1.00 0.00 O ATOM 90 CG2 THR A 7 12.549 3.958 0.608 1.00 0.00 C ATOM 0 H THR A 7 14.198 0.343 0.090 1.00 0.00 H new ATOM 0 HA THR A 7 11.526 1.546 0.107 1.00 0.00 H new ATOM 0 HB THR A 7 14.231 2.864 -0.074 1.00 0.00 H new ATOM 0 HG1 THR A 7 14.190 2.859 2.262 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.145 4.691 1.152 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.332 4.336 -0.391 1.00 0.00 H new ATOM 0 HG23 THR A 7 11.614 3.783 1.141 1.00 0.00 H new ATOM 98 N TRP A 8 11.372 2.206 -2.300 1.00 0.00 N ATOM 99 CA TRP A 8 11.155 2.472 -3.712 1.00 0.00 C ATOM 100 C TRP A 8 10.525 3.856 -3.881 1.00 0.00 C ATOM 101 O TRP A 8 9.675 4.246 -3.080 1.00 0.00 O ATOM 102 CB TRP A 8 10.255 1.386 -4.313 1.00 0.00 C ATOM 103 CG TRP A 8 10.662 -0.033 -4.044 1.00 0.00 C ATOM 104 CD1 TRP A 8 10.391 -0.721 -2.911 1.00 0.00 C ATOM 105 CD2 TRP A 8 11.392 -0.961 -4.904 1.00 0.00 C ATOM 106 NE1 TRP A 8 10.912 -1.993 -3.006 1.00 0.00 N ATOM 107 CE2 TRP A 8 11.541 -2.196 -4.211 1.00 0.00 C ATOM 108 CE3 TRP A 8 11.933 -0.895 -6.205 1.00 0.00 C ATOM 109 CZ2 TRP A 8 12.199 -3.300 -4.769 1.00 0.00 C ATOM 110 CZ3 TRP A 8 12.605 -1.995 -6.772 1.00 0.00 C ATOM 111 CH2 TRP A 8 12.728 -3.200 -6.062 1.00 0.00 C ATOM 0 H TRP A 8 10.528 2.328 -1.740 1.00 0.00 H new ATOM 0 HA TRP A 8 12.109 2.457 -4.239 1.00 0.00 H new ATOM 0 HB2 TRP A 8 9.243 1.530 -3.934 1.00 0.00 H new ATOM 0 HB3 TRP A 8 10.215 1.533 -5.392 1.00 0.00 H new ATOM 0 HD1 TRP A 8 9.849 -0.332 -2.062 1.00 0.00 H new ATOM 0 HE1 TRP A 8 10.840 -2.698 -2.272 1.00 0.00 H new ATOM 0 HE3 TRP A 8 11.830 0.016 -6.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 12.297 -4.218 -4.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 13.029 -1.911 -7.762 1.00 0.00 H new ATOM 0 HH2 TRP A 8 13.228 -4.046 -6.511 1.00 0.00 H new ATOM 122 N LYS A 9 10.925 4.587 -4.925 1.00 0.00 N ATOM 123 CA LYS A 9 10.370 5.888 -5.275 1.00 0.00 C ATOM 124 C LYS A 9 9.560 5.768 -6.563 1.00 0.00 C ATOM 125 O LYS A 9 9.972 5.056 -7.483 1.00 0.00 O ATOM 126 CB LYS A 9 11.510 6.899 -5.440 1.00 0.00 C ATOM 127 CG LYS A 9 10.988 8.327 -5.667 1.00 0.00 C ATOM 128 CD LYS A 9 11.970 9.416 -5.206 1.00 0.00 C ATOM 129 CE LYS A 9 13.273 9.496 -6.020 1.00 0.00 C ATOM 130 NZ LYS A 9 14.202 8.377 -5.753 1.00 0.00 N ATOM 0 H LYS A 9 11.660 4.280 -5.562 1.00 0.00 H new ATOM 0 HA LYS A 9 9.708 6.236 -4.482 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.141 6.881 -4.552 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.136 6.604 -6.282 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.776 8.464 -6.727 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.045 8.450 -5.135 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.468 10.382 -5.254 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.222 9.240 -4.160 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.029 9.510 -7.082 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.775 10.437 -5.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.183 8.713 -5.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.041 8.014 -4.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.036 7.616 -6.443 1.00 0.00 H new ATOM 144 N LEU A 10 8.421 6.466 -6.630 1.00 0.00 N ATOM 145 CA LEU A 10 7.680 6.623 -7.868 1.00 0.00 C ATOM 146 C LEU A 10 8.492 7.550 -8.771 1.00 0.00 C ATOM 147 O LEU A 10 8.727 8.702 -8.411 1.00 0.00 O ATOM 148 CB LEU A 10 6.281 7.180 -7.556 1.00 0.00 C ATOM 149 CG LEU A 10 5.358 7.249 -8.788 1.00 0.00 C ATOM 150 CD1 LEU A 10 3.891 7.119 -8.366 1.00 0.00 C ATOM 151 CD2 LEU A 10 5.499 8.573 -9.551 1.00 0.00 C ATOM 0 H LEU A 10 7.996 6.932 -5.828 1.00 0.00 H new ATOM 0 HA LEU A 10 7.534 5.673 -8.381 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.812 6.557 -6.795 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.383 8.179 -7.132 1.00 0.00 H new ATOM 0 HG LEU A 10 5.657 6.426 -9.437 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.253 7.170 -9.248 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.740 6.164 -7.864 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.635 7.931 -7.686 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.828 8.571 -10.410 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.242 9.402 -8.892 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.527 8.687 -9.894 1.00 0.00 H new ATOM 163 N VAL A 11 8.931 7.051 -9.930 1.00 0.00 N ATOM 164 CA VAL A 11 9.661 7.833 -10.922 1.00 0.00 C ATOM 165 C VAL A 11 9.196 7.401 -12.318 1.00 0.00 C ATOM 166 O VAL A 11 9.983 7.000 -13.179 1.00 0.00 O ATOM 167 CB VAL A 11 11.175 7.762 -10.638 1.00 0.00 C ATOM 168 CG1 VAL A 11 11.756 6.351 -10.713 1.00 0.00 C ATOM 169 CG2 VAL A 11 11.998 8.700 -11.528 1.00 0.00 C ATOM 0 H VAL A 11 8.786 6.080 -10.206 1.00 0.00 H new ATOM 0 HA VAL A 11 9.441 8.899 -10.865 1.00 0.00 H new ATOM 0 HB VAL A 11 11.257 8.099 -9.605 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.825 6.386 -10.501 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.261 5.714 -9.979 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.597 5.945 -11.712 1.00 0.00 H new ATOM 0 HG21 VAL A 11 13.055 8.603 -11.279 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.846 8.435 -12.574 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.679 9.729 -11.364 1.00 0.00 H new ATOM 179 N ASP A 12 7.872 7.465 -12.483 1.00 0.00 N ATOM 180 CA ASP A 12 7.056 7.219 -13.664 1.00 0.00 C ATOM 181 C ASP A 12 5.621 7.038 -13.157 1.00 0.00 C ATOM 182 O ASP A 12 5.431 6.688 -11.994 1.00 0.00 O ATOM 183 CB ASP A 12 7.528 5.985 -14.435 1.00 0.00 C ATOM 184 CG ASP A 12 6.484 5.483 -15.418 1.00 0.00 C ATOM 185 OD1 ASP A 12 5.890 6.328 -16.121 1.00 0.00 O ATOM 186 OD2 ASP A 12 6.267 4.252 -15.388 1.00 0.00 O ATOM 0 H ASP A 12 7.280 7.722 -11.693 1.00 0.00 H new ATOM 0 HA ASP A 12 7.130 8.050 -14.365 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.445 6.225 -14.974 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.771 5.190 -13.730 1.00 0.00 H new ATOM 191 N SER A 13 4.639 7.283 -14.022 1.00 0.00 N ATOM 192 CA SER A 13 3.210 7.067 -13.856 1.00 0.00 C ATOM 193 C SER A 13 2.481 7.850 -14.946 1.00 0.00 C ATOM 194 O SER A 13 2.770 9.024 -15.162 1.00 0.00 O ATOM 195 CB SER A 13 2.670 7.452 -12.464 1.00 0.00 C ATOM 196 OG SER A 13 1.264 7.247 -12.378 1.00 0.00 O ATOM 0 H SER A 13 4.847 7.674 -14.941 1.00 0.00 H new ATOM 0 HA SER A 13 3.028 5.996 -13.944 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.173 6.859 -11.700 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.900 8.498 -12.259 1.00 0.00 H new ATOM 0 HG SER A 13 1.072 6.286 -12.391 1.00 0.00 H new ATOM 202 N LYS A 14 1.489 7.217 -15.573 1.00 0.00 N ATOM 203 CA LYS A 14 0.468 7.897 -16.361 1.00 0.00 C ATOM 204 C LYS A 14 -0.824 7.862 -15.536 1.00 0.00 C ATOM 205 O LYS A 14 -0.964 6.993 -14.675 1.00 0.00 O ATOM 206 CB LYS A 14 0.302 7.165 -17.706 1.00 0.00 C ATOM 207 CG LYS A 14 -0.320 8.040 -18.809 1.00 0.00 C ATOM 208 CD LYS A 14 0.713 8.911 -19.547 1.00 0.00 C ATOM 209 CE LYS A 14 1.569 8.145 -20.571 1.00 0.00 C ATOM 210 NZ LYS A 14 0.772 7.610 -21.696 1.00 0.00 N ATOM 0 H LYS A 14 1.373 6.204 -15.546 1.00 0.00 H new ATOM 0 HA LYS A 14 0.736 8.930 -16.581 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.277 6.811 -18.041 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.323 6.284 -17.557 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.826 7.399 -19.530 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.080 8.685 -18.367 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.190 9.719 -20.059 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.373 9.373 -18.813 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.341 8.808 -20.961 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.079 7.323 -20.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.411 7.269 -22.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.182 6.823 -21.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.162 8.361 -22.078 1.00 0.00 H new ATOM 224 N ASN A 15 -1.780 8.754 -15.811 1.00 0.00 N ATOM 225 CA ASN A 15 -3.176 8.588 -15.399 1.00 0.00 C ATOM 226 C ASN A 15 -3.316 8.489 -13.875 1.00 0.00 C ATOM 227 O ASN A 15 -3.989 7.606 -13.346 1.00 0.00 O ATOM 228 CB ASN A 15 -3.781 7.362 -16.105 1.00 0.00 C ATOM 229 CG ASN A 15 -3.805 7.468 -17.627 1.00 0.00 C ATOM 230 OD1 ASN A 15 -3.548 8.525 -18.198 1.00 0.00 O ATOM 231 ND2 ASN A 15 -4.083 6.360 -18.301 1.00 0.00 N ATOM 0 H ASN A 15 -1.606 9.616 -16.328 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.732 9.476 -15.700 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.212 6.476 -15.822 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.800 7.215 -15.746 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.087 6.371 -19.321 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.293 5.497 -17.799 1.00 0.00 H new ATOM 238 N PHE A 16 -2.675 9.408 -13.150 1.00 0.00 N ATOM 239 CA PHE A 16 -2.749 9.449 -11.691 1.00 0.00 C ATOM 240 C PHE A 16 -4.196 9.685 -11.254 1.00 0.00 C ATOM 241 O PHE A 16 -4.766 8.932 -10.463 1.00 0.00 O ATOM 242 CB PHE A 16 -1.837 10.551 -11.110 1.00 0.00 C ATOM 243 CG PHE A 16 -0.797 11.121 -12.055 1.00 0.00 C ATOM 244 CD1 PHE A 16 -1.132 12.209 -12.882 1.00 0.00 C ATOM 245 CD2 PHE A 16 0.485 10.549 -12.137 1.00 0.00 C ATOM 246 CE1 PHE A 16 -0.219 12.667 -13.847 1.00 0.00 C ATOM 247 CE2 PHE A 16 1.409 11.033 -13.079 1.00 0.00 C ATOM 248 CZ PHE A 16 1.047 12.071 -13.953 1.00 0.00 C ATOM 0 H PHE A 16 -2.093 10.141 -13.557 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.401 8.490 -11.307 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.467 11.368 -10.759 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.324 10.147 -10.237 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.092 12.693 -12.775 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.759 9.739 -11.477 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.492 13.477 -14.507 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.400 10.606 -13.131 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.743 12.410 -14.706 1.00 0.00 H new ATOM 258 N ASP A 17 -4.760 10.785 -11.753 1.00 0.00 N ATOM 259 CA ASP A 17 -6.009 11.333 -11.257 1.00 0.00 C ATOM 260 C ASP A 17 -7.226 10.642 -11.887 1.00 0.00 C ATOM 261 O ASP A 17 -8.289 10.590 -11.274 1.00 0.00 O ATOM 262 CB ASP A 17 -5.988 12.860 -11.388 1.00 0.00 C ATOM 263 CG ASP A 17 -5.047 13.461 -10.346 1.00 0.00 C ATOM 264 OD1 ASP A 17 -5.512 13.589 -9.190 1.00 0.00 O ATOM 265 OD2 ASP A 17 -3.870 13.719 -10.693 1.00 0.00 O ATOM 0 H ASP A 17 -4.354 11.321 -12.520 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.112 11.119 -10.193 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.663 13.143 -12.389 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.994 13.259 -11.255 1.00 0.00 H new ATOM 270 N ASP A 18 -7.054 10.041 -13.068 1.00 0.00 N ATOM 271 CA ASP A 18 -7.971 9.036 -13.609 1.00 0.00 C ATOM 272 C ASP A 18 -8.352 8.042 -12.511 1.00 0.00 C ATOM 273 O ASP A 18 -9.509 7.930 -12.110 1.00 0.00 O ATOM 274 CB ASP A 18 -7.252 8.313 -14.761 1.00 0.00 C ATOM 275 CG ASP A 18 -7.876 6.964 -15.109 1.00 0.00 C ATOM 276 OD1 ASP A 18 -9.113 6.942 -15.253 1.00 0.00 O ATOM 277 OD2 ASP A 18 -7.110 5.975 -15.202 1.00 0.00 O ATOM 0 H ASP A 18 -6.264 10.242 -13.682 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.884 9.505 -13.975 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -7.265 8.950 -15.645 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.207 8.163 -14.491 1.00 0.00 H new ATOM 282 N TYR A 19 -7.335 7.363 -11.984 1.00 0.00 N ATOM 283 CA TYR A 19 -7.494 6.339 -10.967 1.00 0.00 C ATOM 284 C TYR A 19 -8.267 6.865 -9.749 1.00 0.00 C ATOM 285 O TYR A 19 -9.243 6.263 -9.296 1.00 0.00 O ATOM 286 CB TYR A 19 -6.102 5.807 -10.598 1.00 0.00 C ATOM 287 CG TYR A 19 -6.040 4.299 -10.587 1.00 0.00 C ATOM 288 CD1 TYR A 19 -6.117 3.592 -11.801 1.00 0.00 C ATOM 289 CD2 TYR A 19 -6.013 3.602 -9.368 1.00 0.00 C ATOM 290 CE1 TYR A 19 -6.154 2.190 -11.790 1.00 0.00 C ATOM 291 CE2 TYR A 19 -6.110 2.203 -9.356 1.00 0.00 C ATOM 292 CZ TYR A 19 -6.156 1.502 -10.568 1.00 0.00 C ATOM 293 OH TYR A 19 -6.017 0.155 -10.566 1.00 0.00 O ATOM 0 H TYR A 19 -6.365 7.515 -12.259 1.00 0.00 H new ATOM 0 HA TYR A 19 -8.095 5.517 -11.357 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.370 6.192 -11.308 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.821 6.185 -9.615 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.148 4.127 -12.739 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.917 4.144 -8.439 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.181 1.642 -12.720 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.149 1.669 -8.418 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.535 -0.226 -9.826 1.00 0.00 H new ATOM 303 N MET A 20 -7.825 8.011 -9.227 1.00 0.00 N ATOM 304 CA MET A 20 -8.498 8.743 -8.161 1.00 0.00 C ATOM 305 C MET A 20 -9.985 8.926 -8.474 1.00 0.00 C ATOM 306 O MET A 20 -10.813 8.682 -7.595 1.00 0.00 O ATOM 307 CB MET A 20 -7.764 10.075 -7.988 1.00 0.00 C ATOM 308 CG MET A 20 -8.428 11.216 -7.206 1.00 0.00 C ATOM 309 SD MET A 20 -7.981 12.849 -7.882 1.00 0.00 S ATOM 310 CE MET A 20 -9.298 13.044 -9.110 1.00 0.00 C ATOM 0 H MET A 20 -6.968 8.464 -9.544 1.00 0.00 H new ATOM 0 HA MET A 20 -8.463 8.188 -7.224 1.00 0.00 H new ATOM 0 HB2 MET A 20 -6.811 9.861 -7.504 1.00 0.00 H new ATOM 0 HB3 MET A 20 -7.537 10.453 -8.985 1.00 0.00 H new ATOM 0 HG2 MET A 20 -9.511 11.095 -7.235 1.00 0.00 H new ATOM 0 HG3 MET A 20 -8.129 11.162 -6.159 1.00 0.00 H new ATOM 0 HE1 MET A 20 -9.064 13.883 -9.765 1.00 0.00 H new ATOM 0 HE2 MET A 20 -9.380 12.133 -9.703 1.00 0.00 H new ATOM 0 HE3 MET A 20 -10.244 13.233 -8.602 1.00 0.00 H new ATOM 320 N LYS A 21 -10.328 9.353 -9.696 1.00 0.00 N ATOM 321 CA LYS A 21 -11.703 9.581 -10.137 1.00 0.00 C ATOM 322 C LYS A 21 -12.439 8.249 -10.378 1.00 0.00 C ATOM 323 O LYS A 21 -12.987 8.008 -11.452 1.00 0.00 O ATOM 324 CB LYS A 21 -11.685 10.462 -11.400 1.00 0.00 C ATOM 325 CG LYS A 21 -13.071 11.067 -11.690 1.00 0.00 C ATOM 326 CD LYS A 21 -13.475 10.828 -13.152 1.00 0.00 C ATOM 327 CE LYS A 21 -14.929 11.236 -13.434 1.00 0.00 C ATOM 328 NZ LYS A 21 -15.156 12.687 -13.275 1.00 0.00 N ATOM 0 H LYS A 21 -9.638 9.553 -10.420 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.254 10.101 -9.354 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.957 11.263 -11.275 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.361 9.867 -12.254 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.813 10.623 -11.026 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.057 12.137 -11.482 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.809 11.391 -13.806 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.343 9.773 -13.394 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.195 10.940 -14.449 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.591 10.693 -12.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.152 12.907 -13.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.930 12.969 -12.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.546 13.208 -13.936 1.00 0.00 H new ATOM 342 N SER A 22 -12.477 7.396 -9.356 1.00 0.00 N ATOM 343 CA SER A 22 -13.033 6.052 -9.350 1.00 0.00 C ATOM 344 C SER A 22 -12.728 5.439 -7.987 1.00 0.00 C ATOM 345 O SER A 22 -13.625 4.982 -7.286 1.00 0.00 O ATOM 346 CB SER A 22 -12.410 5.188 -10.456 1.00 0.00 C ATOM 347 OG SER A 22 -13.133 5.311 -11.660 1.00 0.00 O ATOM 0 H SER A 22 -12.091 7.648 -8.446 1.00 0.00 H new ATOM 0 HA SER A 22 -14.106 6.096 -9.534 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.375 5.488 -10.617 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.394 4.144 -10.142 1.00 0.00 H new ATOM 0 HG SER A 22 -13.255 6.260 -11.873 1.00 0.00 H new ATOM 353 N LEU A 23 -11.446 5.432 -7.612 1.00 0.00 N ATOM 354 CA LEU A 23 -11.010 4.912 -6.325 1.00 0.00 C ATOM 355 C LEU A 23 -11.559 5.769 -5.184 1.00 0.00 C ATOM 356 O LEU A 23 -11.910 5.243 -4.131 1.00 0.00 O ATOM 357 CB LEU A 23 -9.480 4.884 -6.275 1.00 0.00 C ATOM 358 CG LEU A 23 -8.806 3.686 -6.968 1.00 0.00 C ATOM 359 CD1 LEU A 23 -8.509 2.594 -5.936 1.00 0.00 C ATOM 360 CD2 LEU A 23 -9.563 3.074 -8.156 1.00 0.00 C ATOM 0 H LEU A 23 -10.687 5.787 -8.194 1.00 0.00 H new ATOM 0 HA LEU A 23 -11.394 3.899 -6.206 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.104 5.801 -6.730 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -9.170 4.896 -5.230 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.895 4.098 -7.401 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.032 1.747 -6.429 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.843 2.990 -5.169 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.440 2.267 -5.474 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.991 2.239 -8.561 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.537 2.718 -7.822 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.699 3.830 -8.929 1.00 0.00 H new ATOM 372 N GLY A 24 -11.593 7.091 -5.369 1.00 0.00 N ATOM 373 CA GLY A 24 -12.054 8.008 -4.339 1.00 0.00 C ATOM 374 C GLY A 24 -11.110 8.017 -3.136 1.00 0.00 C ATOM 375 O GLY A 24 -11.549 8.206 -2.006 1.00 0.00 O ATOM 0 H GLY A 24 -11.302 7.548 -6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.129 9.014 -4.752 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.055 7.721 -4.016 1.00 0.00 H new ATOM 379 N VAL A 25 -9.805 7.849 -3.382 1.00 0.00 N ATOM 380 CA VAL A 25 -8.788 7.955 -2.340 1.00 0.00 C ATOM 381 C VAL A 25 -8.771 9.361 -1.731 1.00 0.00 C ATOM 382 O VAL A 25 -8.490 9.529 -0.548 1.00 0.00 O ATOM 383 CB VAL A 25 -7.401 7.572 -2.887 1.00 0.00 C ATOM 384 CG1 VAL A 25 -7.370 6.135 -3.423 1.00 0.00 C ATOM 385 CG2 VAL A 25 -6.911 8.530 -3.983 1.00 0.00 C ATOM 0 H VAL A 25 -9.430 7.637 -4.306 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.042 7.251 -1.547 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.725 7.649 -2.035 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.372 5.908 -3.799 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.622 5.442 -2.620 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.094 6.032 -4.231 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.929 8.212 -4.332 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.613 8.519 -4.817 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.843 9.540 -3.579 1.00 0.00 H new ATOM 395 N GLY A 26 -9.044 10.375 -2.557 1.00 0.00 N ATOM 396 CA GLY A 26 -8.999 11.769 -2.154 1.00 0.00 C ATOM 397 C GLY A 26 -8.822 12.651 -3.385 1.00 0.00 C ATOM 398 O GLY A 26 -7.723 12.735 -3.938 1.00 0.00 O ATOM 0 H GLY A 26 -9.305 10.241 -3.534 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.917 12.037 -1.631 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.177 11.930 -1.457 1.00 0.00 H new ATOM 402 N PHE A 27 -9.918 13.277 -3.835 1.00 0.00 N ATOM 403 CA PHE A 27 -9.950 14.131 -5.017 1.00 0.00 C ATOM 404 C PHE A 27 -8.804 15.148 -4.976 1.00 0.00 C ATOM 405 O PHE A 27 -7.960 15.156 -5.871 1.00 0.00 O ATOM 406 CB PHE A 27 -11.331 14.798 -5.153 1.00 0.00 C ATOM 407 CG PHE A 27 -11.575 15.719 -6.344 1.00 0.00 C ATOM 408 CD1 PHE A 27 -10.691 15.793 -7.441 1.00 0.00 C ATOM 409 CD2 PHE A 27 -12.747 16.497 -6.360 1.00 0.00 C ATOM 410 CE1 PHE A 27 -10.951 16.667 -8.509 1.00 0.00 C ATOM 411 CE2 PHE A 27 -13.017 17.358 -7.437 1.00 0.00 C ATOM 412 CZ PHE A 27 -12.116 17.449 -8.510 1.00 0.00 C ATOM 0 H PHE A 27 -10.824 13.198 -3.373 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.798 13.522 -5.908 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -12.080 14.007 -5.185 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -11.513 15.373 -4.245 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -9.807 15.173 -7.460 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -13.445 16.432 -5.538 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -10.253 16.737 -9.331 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -13.920 17.951 -7.440 1.00 0.00 H new ATOM 0 HZ PHE A 27 -12.319 18.118 -9.333 1.00 0.00 H new ATOM 422 N ALA A 28 -8.766 15.987 -3.940 1.00 0.00 N ATOM 423 CA ALA A 28 -7.687 16.945 -3.749 1.00 0.00 C ATOM 424 C ALA A 28 -6.368 16.203 -3.522 1.00 0.00 C ATOM 425 O ALA A 28 -5.390 16.407 -4.239 1.00 0.00 O ATOM 426 CB ALA A 28 -8.026 17.861 -2.569 1.00 0.00 C ATOM 0 H ALA A 28 -9.482 16.018 -3.214 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.573 17.562 -4.640 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.220 18.580 -2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.954 18.394 -2.777 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.146 17.262 -1.666 1.00 0.00 H new ATOM 432 N THR A 29 -6.360 15.327 -2.516 1.00 0.00 N ATOM 433 CA THR A 29 -5.197 14.630 -1.996 1.00 0.00 C ATOM 434 C THR A 29 -4.308 14.053 -3.098 1.00 0.00 C ATOM 435 O THR A 29 -3.092 14.227 -3.058 1.00 0.00 O ATOM 436 CB THR A 29 -5.707 13.530 -1.055 1.00 0.00 C ATOM 437 OG1 THR A 29 -6.867 14.002 -0.387 1.00 0.00 O ATOM 438 CG2 THR A 29 -4.652 13.102 -0.032 1.00 0.00 C ATOM 0 H THR A 29 -7.215 15.076 -2.019 1.00 0.00 H new ATOM 0 HA THR A 29 -4.563 15.336 -1.460 1.00 0.00 H new ATOM 0 HB THR A 29 -5.940 12.651 -1.656 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.203 13.306 0.216 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.063 12.322 0.609 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.775 12.719 -0.553 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.367 13.960 0.577 1.00 0.00 H new ATOM 446 N ARG A 30 -4.897 13.360 -4.078 1.00 0.00 N ATOM 447 CA ARG A 30 -4.110 12.726 -5.128 1.00 0.00 C ATOM 448 C ARG A 30 -3.304 13.744 -5.935 1.00 0.00 C ATOM 449 O ARG A 30 -2.242 13.389 -6.431 1.00 0.00 O ATOM 450 CB ARG A 30 -5.014 11.928 -6.071 1.00 0.00 C ATOM 451 CG ARG A 30 -4.263 11.051 -7.095 1.00 0.00 C ATOM 452 CD ARG A 30 -3.835 9.689 -6.530 1.00 0.00 C ATOM 453 NE ARG A 30 -2.678 9.791 -5.620 1.00 0.00 N ATOM 454 CZ ARG A 30 -2.405 8.981 -4.581 1.00 0.00 C ATOM 455 NH1 ARG A 30 -3.206 7.953 -4.279 1.00 0.00 N ATOM 456 NH2 ARG A 30 -1.307 9.205 -3.856 1.00 0.00 N ATOM 0 H ARG A 30 -5.905 13.227 -4.162 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.409 12.052 -4.636 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.665 11.289 -5.474 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.657 12.623 -6.611 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.901 10.892 -7.964 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.379 11.586 -7.443 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.674 9.241 -5.997 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.587 9.020 -7.354 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.020 10.551 -5.796 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.039 7.773 -4.840 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.984 7.349 -3.488 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.689 9.981 -4.093 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.086 8.600 -3.065 1.00 0.00 H new ATOM 470 N GLN A 31 -3.800 14.971 -6.115 1.00 0.00 N ATOM 471 CA GLN A 31 -3.194 15.920 -7.042 1.00 0.00 C ATOM 472 C GLN A 31 -1.786 16.269 -6.556 1.00 0.00 C ATOM 473 O GLN A 31 -0.792 16.061 -7.259 1.00 0.00 O ATOM 474 CB GLN A 31 -4.098 17.151 -7.187 1.00 0.00 C ATOM 475 CG GLN A 31 -5.431 16.747 -7.834 1.00 0.00 C ATOM 476 CD GLN A 31 -6.457 17.873 -7.806 1.00 0.00 C ATOM 477 OE1 GLN A 31 -6.193 18.979 -8.266 1.00 0.00 O ATOM 478 NE2 GLN A 31 -7.643 17.604 -7.266 1.00 0.00 N ATOM 0 H GLN A 31 -4.622 15.328 -5.628 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.096 15.481 -8.035 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.279 17.597 -6.209 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.603 17.907 -7.796 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.254 16.447 -8.867 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.835 15.878 -7.314 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.834 16.675 -6.891 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.361 18.327 -7.227 1.00 0.00 H new ATOM 487 N VAL A 32 -1.700 16.745 -5.310 1.00 0.00 N ATOM 488 CA VAL A 32 -0.417 16.905 -4.646 1.00 0.00 C ATOM 489 C VAL A 32 0.241 15.529 -4.513 1.00 0.00 C ATOM 490 O VAL A 32 1.401 15.353 -4.889 1.00 0.00 O ATOM 491 CB VAL A 32 -0.565 17.678 -3.320 1.00 0.00 C ATOM 492 CG1 VAL A 32 -1.370 16.947 -2.241 1.00 0.00 C ATOM 493 CG2 VAL A 32 0.814 18.027 -2.750 1.00 0.00 C ATOM 0 H VAL A 32 -2.505 17.023 -4.748 1.00 0.00 H new ATOM 0 HA VAL A 32 0.252 17.524 -5.243 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.127 18.575 -3.579 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.422 17.565 -1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.378 16.754 -2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.883 16.001 -2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.693 18.572 -1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.374 17.110 -2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.357 18.647 -3.464 1.00 0.00 H new ATOM 503 N GLY A 33 -0.518 14.526 -4.059 1.00 0.00 N ATOM 504 CA GLY A 33 -0.073 13.152 -3.875 1.00 0.00 C ATOM 505 C GLY A 33 0.092 12.381 -5.188 1.00 0.00 C ATOM 506 O GLY A 33 -0.325 11.223 -5.274 1.00 0.00 O ATOM 0 H GLY A 33 -1.496 14.660 -3.801 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.878 13.155 -3.343 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.790 12.628 -3.243 1.00 0.00 H new ATOM 510 N ASN A 34 0.721 13.006 -6.184 1.00 0.00 N ATOM 511 CA ASN A 34 1.225 12.396 -7.405 1.00 0.00 C ATOM 512 C ASN A 34 2.312 13.292 -7.991 1.00 0.00 C ATOM 513 O ASN A 34 3.376 12.800 -8.356 1.00 0.00 O ATOM 514 CB ASN A 34 0.125 11.997 -8.404 1.00 0.00 C ATOM 515 CG ASN A 34 -0.451 13.099 -9.297 1.00 0.00 C ATOM 516 OD1 ASN A 34 0.221 13.597 -10.194 1.00 0.00 O ATOM 517 ND2 ASN A 34 -1.729 13.405 -9.111 1.00 0.00 N ATOM 0 H ASN A 34 0.900 14.010 -6.154 1.00 0.00 H new ATOM 0 HA ASN A 34 1.674 11.435 -7.155 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.524 11.215 -9.050 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -0.697 11.556 -7.841 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.187 14.077 -9.726 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.253 12.968 -8.353 1.00 0.00 H new ATOM 524 N MET A 35 2.101 14.615 -7.986 1.00 0.00 N ATOM 525 CA MET A 35 3.185 15.548 -8.271 1.00 0.00 C ATOM 526 C MET A 35 4.324 15.422 -7.249 1.00 0.00 C ATOM 527 O MET A 35 5.489 15.544 -7.619 1.00 0.00 O ATOM 528 CB MET A 35 2.653 16.987 -8.366 1.00 0.00 C ATOM 529 CG MET A 35 2.354 17.363 -9.823 1.00 0.00 C ATOM 530 SD MET A 35 1.125 16.340 -10.686 1.00 0.00 S ATOM 531 CE MET A 35 1.542 16.780 -12.395 1.00 0.00 C ATOM 0 H MET A 35 1.201 15.053 -7.790 1.00 0.00 H new ATOM 0 HA MET A 35 3.607 15.288 -9.242 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.747 17.085 -7.767 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.386 17.679 -7.950 1.00 0.00 H new ATOM 0 HG2 MET A 35 2.013 18.398 -9.846 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.287 17.322 -10.385 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.885 16.243 -13.080 1.00 0.00 H new ATOM 0 HE2 MET A 35 1.414 17.853 -12.536 1.00 0.00 H new ATOM 0 HE3 MET A 35 2.578 16.508 -12.598 1.00 0.00 H new ATOM 541 N THR A 36 4.023 15.139 -5.977 1.00 0.00 N ATOM 542 CA THR A 36 5.012 15.102 -4.895 1.00 0.00 C ATOM 543 C THR A 36 6.003 13.916 -4.975 1.00 0.00 C ATOM 544 O THR A 36 6.602 13.562 -3.964 1.00 0.00 O ATOM 545 CB THR A 36 4.258 15.163 -3.547 1.00 0.00 C ATOM 546 OG1 THR A 36 5.091 15.618 -2.497 1.00 0.00 O ATOM 547 CG2 THR A 36 3.624 13.806 -3.198 1.00 0.00 C ATOM 0 H THR A 36 3.075 14.927 -5.667 1.00 0.00 H new ATOM 0 HA THR A 36 5.660 15.973 -4.997 1.00 0.00 H new ATOM 0 HB THR A 36 3.454 15.890 -3.664 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.945 15.138 -2.525 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.102 13.883 -2.244 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.917 13.524 -3.978 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.404 13.048 -3.124 1.00 0.00 H new ATOM 555 N LYS A 37 6.216 13.314 -6.157 1.00 0.00 N ATOM 556 CA LYS A 37 7.091 12.161 -6.397 1.00 0.00 C ATOM 557 C LYS A 37 7.098 11.165 -5.221 1.00 0.00 C ATOM 558 O LYS A 37 8.125 11.007 -4.558 1.00 0.00 O ATOM 559 CB LYS A 37 8.502 12.612 -6.833 1.00 0.00 C ATOM 560 CG LYS A 37 9.207 13.607 -5.894 1.00 0.00 C ATOM 561 CD LYS A 37 8.942 15.066 -6.304 1.00 0.00 C ATOM 562 CE LYS A 37 9.275 16.061 -5.183 1.00 0.00 C ATOM 563 NZ LYS A 37 10.701 16.033 -4.803 1.00 0.00 N ATOM 0 H LYS A 37 5.759 13.636 -7.010 1.00 0.00 H new ATOM 0 HA LYS A 37 6.673 11.601 -7.233 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.131 11.727 -6.933 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.429 13.064 -7.822 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.863 13.448 -4.872 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.280 13.416 -5.902 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.535 15.306 -7.186 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.895 15.177 -6.585 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.009 17.068 -5.505 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.665 15.834 -4.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.875 16.735 -4.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.948 15.085 -4.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.286 16.259 -5.633 1.00 0.00 H new ATOM 577 N PRO A 38 5.951 10.525 -4.935 1.00 0.00 N ATOM 578 CA PRO A 38 5.742 9.784 -3.702 1.00 0.00 C ATOM 579 C PRO A 38 6.695 8.597 -3.558 1.00 0.00 C ATOM 580 O PRO A 38 7.239 8.075 -4.536 1.00 0.00 O ATOM 581 CB PRO A 38 4.268 9.361 -3.709 1.00 0.00 C ATOM 582 CG PRO A 38 3.895 9.381 -5.187 1.00 0.00 C ATOM 583 CD PRO A 38 4.734 10.535 -5.731 1.00 0.00 C ATOM 0 HA PRO A 38 5.964 10.405 -2.834 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.133 8.370 -3.275 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.651 10.049 -3.131 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.137 8.438 -5.678 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.828 9.552 -5.333 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.954 10.398 -6.790 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.208 11.485 -5.635 1.00 0.00 H new ATOM 591 N THR A 39 6.895 8.185 -2.306 1.00 0.00 N ATOM 592 CA THR A 39 7.839 7.152 -1.921 1.00 0.00 C ATOM 593 C THR A 39 7.089 6.002 -1.255 1.00 0.00 C ATOM 594 O THR A 39 5.947 6.146 -0.820 1.00 0.00 O ATOM 595 CB THR A 39 8.914 7.756 -1.005 1.00 0.00 C ATOM 596 OG1 THR A 39 8.308 8.428 0.081 1.00 0.00 O ATOM 597 CG2 THR A 39 9.775 8.765 -1.772 1.00 0.00 C ATOM 0 H THR A 39 6.386 8.576 -1.513 1.00 0.00 H new ATOM 0 HA THR A 39 8.345 6.750 -2.799 1.00 0.00 H new ATOM 0 HB THR A 39 9.539 6.939 -0.643 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.002 8.808 0.659 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.530 9.181 -1.105 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.265 8.265 -2.607 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.143 9.569 -2.151 1.00 0.00 H new ATOM 605 N THR A 40 7.730 4.839 -1.196 1.00 0.00 N ATOM 606 CA THR A 40 7.132 3.620 -0.701 1.00 0.00 C ATOM 607 C THR A 40 8.236 2.777 -0.076 1.00 0.00 C ATOM 608 O THR A 40 9.404 2.909 -0.437 1.00 0.00 O ATOM 609 CB THR A 40 6.429 2.927 -1.884 1.00 0.00 C ATOM 610 OG1 THR A 40 5.210 3.587 -2.149 1.00 0.00 O ATOM 611 CG2 THR A 40 6.080 1.462 -1.659 1.00 0.00 C ATOM 0 H THR A 40 8.697 4.723 -1.498 1.00 0.00 H new ATOM 0 HA THR A 40 6.381 3.796 0.069 1.00 0.00 H new ATOM 0 HB THR A 40 7.146 2.977 -2.704 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.643 3.560 -1.350 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.589 1.064 -2.547 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.991 0.897 -1.464 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.409 1.375 -0.804 1.00 0.00 H new ATOM 619 N ILE A 41 7.855 1.900 0.851 1.00 0.00 N ATOM 620 CA ILE A 41 8.676 0.763 1.237 1.00 0.00 C ATOM 621 C ILE A 41 7.866 -0.460 0.853 1.00 0.00 C ATOM 622 O ILE A 41 6.638 -0.385 0.869 1.00 0.00 O ATOM 623 CB ILE A 41 9.055 0.786 2.730 1.00 0.00 C ATOM 624 CG1 ILE A 41 7.879 0.408 3.649 1.00 0.00 C ATOM 625 CG2 ILE A 41 9.690 2.137 3.080 1.00 0.00 C ATOM 626 CD1 ILE A 41 8.053 0.867 5.102 1.00 0.00 C ATOM 0 H ILE A 41 6.969 1.961 1.353 1.00 0.00 H new ATOM 0 HA ILE A 41 9.640 0.774 0.728 1.00 0.00 H new ATOM 0 HB ILE A 41 9.799 0.010 2.910 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.963 0.843 3.248 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.752 -0.674 3.633 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.957 2.151 4.137 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.586 2.285 2.477 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.979 2.937 2.875 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.184 0.564 5.686 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.950 0.412 5.522 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.149 1.952 5.132 1.00 0.00 H new ATOM 638 N ILE A 42 8.536 -1.541 0.466 1.00 0.00 N ATOM 639 CA ILE A 42 7.932 -2.850 0.300 1.00 0.00 C ATOM 640 C ILE A 42 8.830 -3.777 1.108 1.00 0.00 C ATOM 641 O ILE A 42 10.027 -3.813 0.833 1.00 0.00 O ATOM 642 CB ILE A 42 7.900 -3.247 -1.188 1.00 0.00 C ATOM 643 CG1 ILE A 42 6.972 -2.334 -2.004 1.00 0.00 C ATOM 644 CG2 ILE A 42 7.468 -4.714 -1.318 1.00 0.00 C ATOM 645 CD1 ILE A 42 7.192 -2.443 -3.518 1.00 0.00 C ATOM 0 H ILE A 42 9.534 -1.527 0.256 1.00 0.00 H new ATOM 0 HA ILE A 42 6.896 -2.887 0.637 1.00 0.00 H new ATOM 0 HB ILE A 42 8.904 -3.126 -1.595 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.936 -2.583 -1.776 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.127 -1.300 -1.695 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.445 -4.995 -2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.177 -5.350 -0.788 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.475 -4.840 -0.887 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.505 -1.773 -4.035 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.219 -2.166 -3.757 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.009 -3.468 -3.839 1.00 0.00 H new ATOM 657 N GLU A 43 8.289 -4.481 2.107 1.00 0.00 N ATOM 658 CA GLU A 43 9.088 -5.346 2.966 1.00 0.00 C ATOM 659 C GLU A 43 8.351 -6.668 3.199 1.00 0.00 C ATOM 660 O GLU A 43 7.309 -6.705 3.861 1.00 0.00 O ATOM 661 CB GLU A 43 9.451 -4.615 4.266 1.00 0.00 C ATOM 662 CG GLU A 43 10.232 -3.318 3.999 1.00 0.00 C ATOM 663 CD GLU A 43 10.525 -2.534 5.271 1.00 0.00 C ATOM 664 OE1 GLU A 43 10.331 -3.113 6.361 1.00 0.00 O ATOM 665 OE2 GLU A 43 10.919 -1.358 5.118 1.00 0.00 O ATOM 0 H GLU A 43 7.296 -4.465 2.338 1.00 0.00 H new ATOM 0 HA GLU A 43 10.031 -5.592 2.478 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.540 -4.383 4.818 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.047 -5.273 4.898 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.172 -3.561 3.502 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.662 -2.690 3.314 1.00 0.00 H new ATOM 672 N VAL A 44 8.893 -7.749 2.626 1.00 0.00 N ATOM 673 CA VAL A 44 8.392 -9.105 2.793 1.00 0.00 C ATOM 674 C VAL A 44 8.683 -9.553 4.227 1.00 0.00 C ATOM 675 O VAL A 44 9.767 -10.047 4.534 1.00 0.00 O ATOM 676 CB VAL A 44 9.020 -10.053 1.755 1.00 0.00 C ATOM 677 CG1 VAL A 44 8.506 -11.486 1.967 1.00 0.00 C ATOM 678 CG2 VAL A 44 8.717 -9.636 0.307 1.00 0.00 C ATOM 0 H VAL A 44 9.712 -7.696 2.020 1.00 0.00 H new ATOM 0 HA VAL A 44 7.316 -9.132 2.624 1.00 0.00 H new ATOM 0 HB VAL A 44 10.098 -10.001 1.904 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.957 -12.147 1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.774 -11.824 2.968 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.422 -11.504 1.857 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.185 -10.341 -0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.639 -9.635 0.147 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.112 -8.636 0.126 1.00 0.00 H new ATOM 688 N ASN A 45 7.700 -9.396 5.107 1.00 0.00 N ATOM 689 CA ASN A 45 7.738 -9.868 6.482 1.00 0.00 C ATOM 690 C ASN A 45 7.480 -11.379 6.490 1.00 0.00 C ATOM 691 O ASN A 45 6.518 -11.868 7.077 1.00 0.00 O ATOM 692 CB ASN A 45 6.710 -9.088 7.316 1.00 0.00 C ATOM 693 CG ASN A 45 7.185 -7.682 7.676 1.00 0.00 C ATOM 694 OD1 ASN A 45 7.363 -7.368 8.848 1.00 0.00 O ATOM 695 ND2 ASN A 45 7.394 -6.811 6.691 1.00 0.00 N ATOM 0 H ASN A 45 6.828 -8.921 4.873 1.00 0.00 H new ATOM 0 HA ASN A 45 8.715 -9.694 6.932 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.775 -9.020 6.760 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.497 -9.640 8.231 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.708 -5.864 6.905 1.00 0.00 H new ATOM 0 HD22 ASN A 45 7.241 -7.090 5.722 1.00 0.00 H new ATOM 702 N GLY A 46 8.358 -12.136 5.829 1.00 0.00 N ATOM 703 CA GLY A 46 8.258 -13.584 5.739 1.00 0.00 C ATOM 704 C GLY A 46 7.028 -14.019 4.941 1.00 0.00 C ATOM 705 O GLY A 46 7.131 -14.267 3.742 1.00 0.00 O ATOM 0 H GLY A 46 9.165 -11.752 5.338 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.157 -13.982 5.268 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.210 -14.008 6.742 1.00 0.00 H new ATOM 709 N ASP A 47 5.875 -14.131 5.608 1.00 0.00 N ATOM 710 CA ASP A 47 4.609 -14.497 4.982 1.00 0.00 C ATOM 711 C ASP A 47 3.971 -13.250 4.369 1.00 0.00 C ATOM 712 O ASP A 47 3.438 -13.265 3.257 1.00 0.00 O ATOM 713 CB ASP A 47 3.680 -15.159 6.019 1.00 0.00 C ATOM 714 CG ASP A 47 2.947 -14.164 6.915 1.00 0.00 C ATOM 715 OD1 ASP A 47 3.645 -13.313 7.514 1.00 0.00 O ATOM 716 OD2 ASP A 47 1.700 -14.225 6.937 1.00 0.00 O ATOM 0 H ASP A 47 5.798 -13.967 6.612 1.00 0.00 H new ATOM 0 HA ASP A 47 4.782 -15.221 4.186 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.946 -15.772 5.496 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.269 -15.831 6.644 1.00 0.00 H new ATOM 721 N THR A 48 4.022 -12.168 5.138 1.00 0.00 N ATOM 722 CA THR A 48 3.370 -10.914 4.875 1.00 0.00 C ATOM 723 C THR A 48 4.278 -10.036 4.024 1.00 0.00 C ATOM 724 O THR A 48 5.485 -10.238 3.929 1.00 0.00 O ATOM 725 CB THR A 48 2.984 -10.245 6.210 1.00 0.00 C ATOM 726 OG1 THR A 48 3.823 -10.661 7.268 1.00 0.00 O ATOM 727 CG2 THR A 48 1.559 -10.598 6.626 1.00 0.00 C ATOM 0 H THR A 48 4.553 -12.154 6.009 1.00 0.00 H new ATOM 0 HA THR A 48 2.450 -11.073 4.312 1.00 0.00 H new ATOM 0 HB THR A 48 3.084 -9.174 6.036 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.571 -11.566 7.549 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.324 -10.108 7.571 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.862 -10.261 5.859 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.472 -11.678 6.746 1.00 0.00 H new ATOM 735 N VAL A 49 3.672 -9.033 3.410 1.00 0.00 N ATOM 736 CA VAL A 49 4.288 -7.928 2.723 1.00 0.00 C ATOM 737 C VAL A 49 3.640 -6.712 3.353 1.00 0.00 C ATOM 738 O VAL A 49 2.419 -6.565 3.270 1.00 0.00 O ATOM 739 CB VAL A 49 3.993 -8.037 1.218 1.00 0.00 C ATOM 740 CG1 VAL A 49 3.928 -6.684 0.497 1.00 0.00 C ATOM 741 CG2 VAL A 49 5.091 -8.872 0.557 1.00 0.00 C ATOM 0 H VAL A 49 2.654 -8.973 3.382 1.00 0.00 H new ATOM 0 HA VAL A 49 5.374 -7.891 2.812 1.00 0.00 H new ATOM 0 HB VAL A 49 3.009 -8.498 1.131 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.716 -6.845 -0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.138 -6.075 0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.883 -6.170 0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.891 -8.956 -0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.056 -8.389 0.709 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.109 -9.867 1.002 1.00 0.00 H new ATOM 751 N ILE A 50 4.449 -5.861 3.982 1.00 0.00 N ATOM 752 CA ILE A 50 4.001 -4.528 4.332 1.00 0.00 C ATOM 753 C ILE A 50 4.418 -3.606 3.189 1.00 0.00 C ATOM 754 O ILE A 50 5.524 -3.746 2.655 1.00 0.00 O ATOM 755 CB ILE A 50 4.504 -4.118 5.727 1.00 0.00 C ATOM 756 CG1 ILE A 50 3.721 -2.903 6.247 1.00 0.00 C ATOM 757 CG2 ILE A 50 6.010 -3.860 5.735 1.00 0.00 C ATOM 758 CD1 ILE A 50 4.082 -2.555 7.693 1.00 0.00 C ATOM 0 H ILE A 50 5.408 -6.074 4.255 1.00 0.00 H new ATOM 0 HA ILE A 50 2.917 -4.469 4.432 1.00 0.00 H new ATOM 0 HB ILE A 50 4.325 -4.953 6.405 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.922 -2.043 5.608 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.652 -3.107 6.181 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.325 -3.573 6.738 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.536 -4.766 5.435 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.245 -3.056 5.037 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.502 -1.690 8.015 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.856 -3.404 8.339 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.145 -2.324 7.757 1.00 0.00 H new ATOM 770 N ILE A 51 3.515 -2.714 2.779 1.00 0.00 N ATOM 771 CA ILE A 51 3.753 -1.686 1.777 1.00 0.00 C ATOM 772 C ILE A 51 3.160 -0.385 2.311 1.00 0.00 C ATOM 773 O ILE A 51 2.191 -0.442 3.061 1.00 0.00 O ATOM 774 CB ILE A 51 3.168 -2.101 0.409 1.00 0.00 C ATOM 775 CG1 ILE A 51 3.496 -1.045 -0.665 1.00 0.00 C ATOM 776 CG2 ILE A 51 1.654 -2.346 0.476 1.00 0.00 C ATOM 777 CD1 ILE A 51 2.996 -1.425 -2.061 1.00 0.00 C ATOM 0 H ILE A 51 2.566 -2.691 3.152 1.00 0.00 H new ATOM 0 HA ILE A 51 4.820 -1.545 1.602 1.00 0.00 H new ATOM 0 HB ILE A 51 3.637 -3.045 0.132 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.053 -0.092 -0.375 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.575 -0.897 -0.701 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.288 -2.635 -0.509 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.446 -3.144 1.189 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.152 -1.433 0.796 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.260 -0.639 -2.768 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.459 -2.362 -2.371 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.913 -1.545 -2.039 1.00 0.00 H new ATOM 789 N LYS A 52 3.720 0.777 1.959 1.00 0.00 N ATOM 790 CA LYS A 52 3.164 2.060 2.384 1.00 0.00 C ATOM 791 C LYS A 52 3.209 3.076 1.239 1.00 0.00 C ATOM 792 O LYS A 52 4.158 3.080 0.451 1.00 0.00 O ATOM 793 CB LYS A 52 3.856 2.508 3.681 1.00 0.00 C ATOM 794 CG LYS A 52 5.313 2.935 3.483 1.00 0.00 C ATOM 795 CD LYS A 52 5.445 4.457 3.515 1.00 0.00 C ATOM 796 CE LYS A 52 5.706 4.955 4.944 1.00 0.00 C ATOM 797 NZ LYS A 52 7.155 5.024 5.224 1.00 0.00 N ATOM 0 H LYS A 52 4.557 0.852 1.381 1.00 0.00 H new ATOM 0 HA LYS A 52 2.105 1.965 2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.298 3.339 4.112 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.820 1.692 4.403 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.934 2.496 4.264 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.681 2.554 2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.260 4.769 2.862 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.534 4.913 3.127 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.259 5.940 5.077 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.225 4.288 5.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.306 5.147 6.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.612 4.144 4.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.569 5.830 4.714 1.00 0.00 H new ATOM 811 N THR A 53 2.159 3.893 1.114 1.00 0.00 N ATOM 812 CA THR A 53 1.821 4.638 -0.095 1.00 0.00 C ATOM 813 C THR A 53 2.209 6.118 0.049 1.00 0.00 C ATOM 814 O THR A 53 1.418 7.008 -0.270 1.00 0.00 O ATOM 815 CB THR A 53 0.307 4.435 -0.317 1.00 0.00 C ATOM 816 OG1 THR A 53 -0.386 4.610 0.904 1.00 0.00 O ATOM 817 CG2 THR A 53 0.018 3.007 -0.780 1.00 0.00 C ATOM 0 H THR A 53 1.502 4.057 1.877 1.00 0.00 H new ATOM 0 HA THR A 53 2.375 4.280 -0.963 1.00 0.00 H new ATOM 0 HB THR A 53 -0.015 5.158 -1.067 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.343 4.451 0.763 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.054 2.884 -0.931 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.541 2.815 -1.717 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.361 2.302 -0.022 1.00 0.00 H new ATOM 825 N GLN A 54 3.411 6.380 0.575 1.00 0.00 N ATOM 826 CA GLN A 54 3.778 7.641 1.214 1.00 0.00 C ATOM 827 C GLN A 54 3.549 8.863 0.323 1.00 0.00 C ATOM 828 O GLN A 54 4.191 9.013 -0.717 1.00 0.00 O ATOM 829 CB GLN A 54 5.225 7.588 1.723 1.00 0.00 C ATOM 830 CG GLN A 54 5.399 8.400 3.012 1.00 0.00 C ATOM 831 CD GLN A 54 6.721 8.125 3.730 1.00 0.00 C ATOM 832 OE1 GLN A 54 7.370 7.099 3.533 1.00 0.00 O ATOM 833 NE2 GLN A 54 7.095 8.995 4.659 1.00 0.00 N ATOM 0 H GLN A 54 4.172 5.701 0.566 1.00 0.00 H new ATOM 0 HA GLN A 54 3.108 7.763 2.065 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.510 6.552 1.904 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.896 7.974 0.956 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.337 9.462 2.775 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.574 8.176 3.688 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.549 9.843 4.813 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.929 8.816 5.219 1.00 0.00 H new ATOM 842 N SER A 55 2.651 9.746 0.768 1.00 0.00 N ATOM 843 CA SER A 55 2.330 10.997 0.111 1.00 0.00 C ATOM 844 C SER A 55 3.009 12.146 0.856 1.00 0.00 C ATOM 845 O SER A 55 3.803 11.941 1.777 1.00 0.00 O ATOM 846 CB SER A 55 0.804 11.173 0.054 1.00 0.00 C ATOM 847 OG SER A 55 0.456 12.273 -0.772 1.00 0.00 O ATOM 0 H SER A 55 2.115 9.597 1.623 1.00 0.00 H new ATOM 0 HA SER A 55 2.701 10.994 -0.914 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.342 10.263 -0.330 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.413 11.329 1.060 1.00 0.00 H new ATOM 0 HG SER A 55 -0.519 12.368 -0.797 1.00 0.00 H new ATOM 853 N THR A 56 2.661 13.362 0.441 1.00 0.00 N ATOM 854 CA THR A 56 3.338 14.599 0.800 1.00 0.00 C ATOM 855 C THR A 56 3.402 14.809 2.320 1.00 0.00 C ATOM 856 O THR A 56 4.321 15.456 2.814 1.00 0.00 O ATOM 857 CB THR A 56 2.681 15.766 0.038 1.00 0.00 C ATOM 858 OG1 THR A 56 3.653 16.717 -0.339 1.00 0.00 O ATOM 859 CG2 THR A 56 1.547 16.457 0.795 1.00 0.00 C ATOM 0 H THR A 56 1.866 13.515 -0.180 1.00 0.00 H new ATOM 0 HA THR A 56 4.383 14.545 0.495 1.00 0.00 H new ATOM 0 HB THR A 56 2.225 15.316 -0.844 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.188 16.362 -1.079 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.142 17.265 0.186 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.759 15.735 1.009 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.930 16.865 1.731 1.00 0.00 H new ATOM 867 N PHE A 57 2.421 14.272 3.051 1.00 0.00 N ATOM 868 CA PHE A 57 2.311 14.346 4.500 1.00 0.00 C ATOM 869 C PHE A 57 2.085 12.943 5.069 1.00 0.00 C ATOM 870 O PHE A 57 1.144 12.724 5.827 1.00 0.00 O ATOM 871 CB PHE A 57 1.203 15.348 4.880 1.00 0.00 C ATOM 872 CG PHE A 57 -0.001 15.429 3.948 1.00 0.00 C ATOM 873 CD1 PHE A 57 -0.686 14.268 3.537 1.00 0.00 C ATOM 874 CD2 PHE A 57 -0.433 16.687 3.484 1.00 0.00 C ATOM 875 CE1 PHE A 57 -1.741 14.361 2.613 1.00 0.00 C ATOM 876 CE2 PHE A 57 -1.495 16.779 2.570 1.00 0.00 C ATOM 877 CZ PHE A 57 -2.140 15.615 2.123 1.00 0.00 C ATOM 0 H PHE A 57 1.652 13.753 2.626 1.00 0.00 H new ATOM 0 HA PHE A 57 3.236 14.717 4.942 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.844 15.095 5.877 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.650 16.340 4.944 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.400 13.305 3.933 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.055 17.585 3.833 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.246 13.466 2.279 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.816 17.746 2.211 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.942 15.684 1.403 1.00 0.00 H new ATOM 887 N LYS A 58 2.947 11.991 4.686 1.00 0.00 N ATOM 888 CA LYS A 58 2.782 10.570 4.988 1.00 0.00 C ATOM 889 C LYS A 58 1.581 10.022 4.193 1.00 0.00 C ATOM 890 O LYS A 58 0.898 10.758 3.480 1.00 0.00 O ATOM 891 CB LYS A 58 2.780 10.300 6.524 1.00 0.00 C ATOM 892 CG LYS A 58 2.581 8.824 6.903 1.00 0.00 C ATOM 893 CD LYS A 58 2.820 8.441 8.369 1.00 0.00 C ATOM 894 CE LYS A 58 2.443 6.950 8.491 1.00 0.00 C ATOM 895 NZ LYS A 58 2.634 6.380 9.838 1.00 0.00 N ATOM 0 H LYS A 58 3.790 12.194 4.149 1.00 0.00 H new ATOM 0 HA LYS A 58 3.645 9.997 4.649 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.724 10.647 6.944 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.989 10.892 6.985 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.561 8.542 6.642 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.247 8.223 6.283 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.861 8.604 8.649 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.211 9.052 9.035 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.399 6.827 8.203 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.039 6.378 7.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.965 5.597 9.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.607 6.025 9.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.465 7.116 10.553 1.00 0.00 H new ATOM 909 N ASN A 59 1.363 8.707 4.241 1.00 0.00 N ATOM 910 CA ASN A 59 0.130 8.052 3.837 1.00 0.00 C ATOM 911 C ASN A 59 0.033 6.764 4.659 1.00 0.00 C ATOM 912 O ASN A 59 0.870 6.553 5.540 1.00 0.00 O ATOM 913 CB ASN A 59 0.168 7.760 2.338 1.00 0.00 C ATOM 914 CG ASN A 59 -1.204 7.499 1.731 1.00 0.00 C ATOM 915 OD1 ASN A 59 -2.204 7.430 2.435 1.00 0.00 O ATOM 916 ND2 ASN A 59 -1.254 7.366 0.413 1.00 0.00 N ATOM 0 H ASN A 59 2.069 8.051 4.575 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.743 8.679 4.016 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.629 8.604 1.824 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.805 6.893 2.162 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.148 7.200 -0.049 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.399 7.430 -0.139 1.00 0.00 H new ATOM 923 N THR A 60 -0.952 5.912 4.390 1.00 0.00 N ATOM 924 CA THR A 60 -1.163 4.680 5.125 1.00 0.00 C ATOM 925 C THR A 60 0.000 3.701 4.928 1.00 0.00 C ATOM 926 O THR A 60 0.814 3.835 4.007 1.00 0.00 O ATOM 927 CB THR A 60 -2.484 4.051 4.662 1.00 0.00 C ATOM 928 OG1 THR A 60 -2.362 3.742 3.298 1.00 0.00 O ATOM 929 CG2 THR A 60 -3.663 5.012 4.830 1.00 0.00 C ATOM 0 H THR A 60 -1.632 6.065 3.645 1.00 0.00 H new ATOM 0 HA THR A 60 -1.212 4.906 6.190 1.00 0.00 H new ATOM 0 HB THR A 60 -2.676 3.166 5.268 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.127 3.198 3.016 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.579 4.528 4.491 1.00 0.00 H new ATOM 0 HG22 THR A 60 -3.764 5.283 5.881 1.00 0.00 H new ATOM 0 HG23 THR A 60 -3.487 5.910 4.238 1.00 0.00 H new ATOM 937 N GLU A 61 0.038 2.697 5.806 1.00 0.00 N ATOM 938 CA GLU A 61 0.833 1.494 5.677 1.00 0.00 C ATOM 939 C GLU A 61 -0.150 0.312 5.713 1.00 0.00 C ATOM 940 O GLU A 61 -1.120 0.343 6.468 1.00 0.00 O ATOM 941 CB GLU A 61 1.951 1.470 6.737 1.00 0.00 C ATOM 942 CG GLU A 61 1.573 1.994 8.142 1.00 0.00 C ATOM 943 CD GLU A 61 2.150 3.367 8.506 1.00 0.00 C ATOM 944 OE1 GLU A 61 3.219 3.759 7.985 1.00 0.00 O ATOM 945 OE2 GLU A 61 1.542 4.037 9.371 1.00 0.00 O ATOM 0 H GLU A 61 -0.514 2.710 6.664 1.00 0.00 H new ATOM 0 HA GLU A 61 1.378 1.439 4.735 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.305 0.444 6.838 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.788 2.061 6.365 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.486 2.044 8.213 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.907 1.269 8.884 1.00 0.00 H new ATOM 952 N ILE A 62 0.052 -0.657 4.817 1.00 0.00 N ATOM 953 CA ILE A 62 -0.893 -1.676 4.365 1.00 0.00 C ATOM 954 C ILE A 62 -0.142 -3.015 4.425 1.00 0.00 C ATOM 955 O ILE A 62 1.075 -3.017 4.235 1.00 0.00 O ATOM 956 CB ILE A 62 -1.330 -1.309 2.926 1.00 0.00 C ATOM 957 CG1 ILE A 62 -1.948 0.104 2.872 1.00 0.00 C ATOM 958 CG2 ILE A 62 -2.311 -2.334 2.348 1.00 0.00 C ATOM 959 CD1 ILE A 62 -2.354 0.541 1.459 1.00 0.00 C ATOM 0 H ILE A 62 0.955 -0.755 4.352 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.792 -1.742 4.978 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.430 -1.320 2.312 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.825 0.133 3.519 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.232 0.821 3.274 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.592 -2.039 1.337 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.838 -3.316 2.321 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.202 -2.378 2.974 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.781 1.543 1.497 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.476 0.544 0.813 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.094 -0.154 1.062 1.00 0.00 H new ATOM 971 N SER A 63 -0.808 -4.137 4.730 1.00 0.00 N ATOM 972 CA SER A 63 -0.160 -5.366 5.181 1.00 0.00 C ATOM 973 C SER A 63 -0.907 -6.612 4.689 1.00 0.00 C ATOM 974 O SER A 63 -1.784 -7.129 5.389 1.00 0.00 O ATOM 975 CB SER A 63 -0.069 -5.338 6.712 1.00 0.00 C ATOM 976 OG SER A 63 -1.359 -5.183 7.273 1.00 0.00 O ATOM 0 H SER A 63 -1.823 -4.213 4.668 1.00 0.00 H new ATOM 0 HA SER A 63 0.843 -5.420 4.757 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.385 -6.260 7.074 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.576 -4.519 7.031 1.00 0.00 H new ATOM 0 HG SER A 63 -1.962 -5.859 6.899 1.00 0.00 H new ATOM 982 N PHE A 64 -0.524 -7.136 3.522 1.00 0.00 N ATOM 983 CA PHE A 64 -1.158 -8.293 2.900 1.00 0.00 C ATOM 984 C PHE A 64 -0.153 -9.434 2.765 1.00 0.00 C ATOM 985 O PHE A 64 1.041 -9.201 2.873 1.00 0.00 O ATOM 986 CB PHE A 64 -1.788 -7.878 1.567 1.00 0.00 C ATOM 987 CG PHE A 64 -0.923 -7.040 0.643 1.00 0.00 C ATOM 988 CD1 PHE A 64 0.142 -7.626 -0.061 1.00 0.00 C ATOM 989 CD2 PHE A 64 -1.282 -5.704 0.380 1.00 0.00 C ATOM 990 CE1 PHE A 64 0.791 -6.907 -1.079 1.00 0.00 C ATOM 991 CE2 PHE A 64 -0.601 -4.971 -0.604 1.00 0.00 C ATOM 992 CZ PHE A 64 0.424 -5.580 -1.350 1.00 0.00 C ATOM 0 H PHE A 64 0.250 -6.758 2.976 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.965 -8.668 3.530 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -2.083 -8.781 1.033 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.700 -7.321 1.779 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.462 -8.629 0.180 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.084 -5.242 0.937 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.575 -7.377 -1.655 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.864 -3.940 -0.788 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.927 -5.028 -2.130 1.00 0.00 H new ATOM 1002 N LYS A 65 -0.615 -10.674 2.567 1.00 0.00 N ATOM 1003 CA LYS A 65 0.239 -11.855 2.493 1.00 0.00 C ATOM 1004 C LYS A 65 -0.024 -12.543 1.159 1.00 0.00 C ATOM 1005 O LYS A 65 -1.180 -12.713 0.771 1.00 0.00 O ATOM 1006 CB LYS A 65 0.063 -12.774 3.719 1.00 0.00 C ATOM 1007 CG LYS A 65 -1.356 -13.295 4.010 1.00 0.00 C ATOM 1008 CD LYS A 65 -2.053 -12.640 5.220 1.00 0.00 C ATOM 1009 CE LYS A 65 -2.400 -11.165 4.967 1.00 0.00 C ATOM 1010 NZ LYS A 65 -3.379 -10.605 5.922 1.00 0.00 N ATOM 0 H LYS A 65 -1.607 -10.883 2.453 1.00 0.00 H new ATOM 0 HA LYS A 65 1.290 -11.568 2.529 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.720 -13.635 3.593 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.411 -12.234 4.599 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.973 -13.139 3.125 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.305 -14.371 4.177 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.965 -13.190 5.453 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.405 -12.714 6.093 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.485 -10.574 5.012 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.795 -11.064 3.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.122 -10.098 5.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.807 -11.376 6.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.897 -9.946 6.566 1.00 0.00 H new ATOM 1024 N LEU A 66 1.043 -12.858 0.422 1.00 0.00 N ATOM 1025 CA LEU A 66 0.981 -13.170 -1.000 1.00 0.00 C ATOM 1026 C LEU A 66 0.537 -14.611 -1.259 1.00 0.00 C ATOM 1027 O LEU A 66 1.243 -15.387 -1.900 1.00 0.00 O ATOM 1028 CB LEU A 66 2.305 -12.800 -1.694 1.00 0.00 C ATOM 1029 CG LEU A 66 3.554 -13.362 -0.988 1.00 0.00 C ATOM 1030 CD1 LEU A 66 4.560 -13.851 -2.038 1.00 0.00 C ATOM 1031 CD2 LEU A 66 4.229 -12.315 -0.090 1.00 0.00 C ATOM 0 H LEU A 66 1.987 -12.903 0.806 1.00 0.00 H new ATOM 0 HA LEU A 66 0.205 -12.552 -1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.282 -13.168 -2.720 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.386 -11.714 -1.747 1.00 0.00 H new ATOM 0 HG LEU A 66 3.231 -14.188 -0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.443 -14.248 -1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.103 -14.634 -2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.850 -13.019 -2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.105 -12.755 0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.536 -11.461 -0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.526 -11.985 0.675 1.00 0.00 H new ATOM 1043 N GLY A 67 -0.669 -14.948 -0.804 1.00 0.00 N ATOM 1044 CA GLY A 67 -1.316 -16.210 -1.123 1.00 0.00 C ATOM 1045 C GLY A 67 -2.604 -16.379 -0.324 1.00 0.00 C ATOM 1046 O GLY A 67 -2.791 -17.415 0.310 1.00 0.00 O ATOM 0 H GLY A 67 -1.225 -14.344 -0.199 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.537 -16.250 -2.190 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.638 -17.036 -0.907 1.00 0.00 H new ATOM 1050 N VAL A 68 -3.478 -15.365 -0.313 1.00 0.00 N ATOM 1051 CA VAL A 68 -4.677 -15.369 0.525 1.00 0.00 C ATOM 1052 C VAL A 68 -5.574 -14.179 0.166 1.00 0.00 C ATOM 1053 O VAL A 68 -5.093 -13.206 -0.419 1.00 0.00 O ATOM 1054 CB VAL A 68 -4.269 -15.402 2.026 1.00 0.00 C ATOM 1055 CG1 VAL A 68 -4.620 -14.136 2.817 1.00 0.00 C ATOM 1056 CG2 VAL A 68 -4.853 -16.617 2.760 1.00 0.00 C ATOM 0 H VAL A 68 -3.373 -14.525 -0.882 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.266 -16.267 0.338 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.182 -15.471 1.990 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.298 -14.252 3.852 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.115 -13.278 2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.698 -13.976 2.789 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.541 -16.596 3.804 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.941 -16.586 2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.493 -17.533 2.292 1.00 0.00 H new ATOM 1066 N GLU A 69 -6.859 -14.253 0.545 1.00 0.00 N ATOM 1067 CA GLU A 69 -7.759 -13.110 0.628 1.00 0.00 C ATOM 1068 C GLU A 69 -8.132 -12.849 2.089 1.00 0.00 C ATOM 1069 O GLU A 69 -8.194 -13.779 2.892 1.00 0.00 O ATOM 1070 CB GLU A 69 -9.014 -13.307 -0.235 1.00 0.00 C ATOM 1071 CG GLU A 69 -9.856 -14.549 0.103 1.00 0.00 C ATOM 1072 CD GLU A 69 -11.348 -14.243 0.043 1.00 0.00 C ATOM 1073 OE1 GLU A 69 -11.799 -13.573 -0.910 1.00 0.00 O ATOM 1074 OE2 GLU A 69 -12.063 -14.581 1.011 1.00 0.00 O ATOM 0 H GLU A 69 -7.304 -15.133 0.807 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.238 -12.238 0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.645 -12.423 -0.137 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.710 -13.368 -1.280 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.619 -15.352 -0.595 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.596 -14.906 1.099 1.00 0.00 H new ATOM 1081 N PHE A 70 -8.355 -11.583 2.439 1.00 0.00 N ATOM 1082 CA PHE A 70 -8.776 -11.147 3.762 1.00 0.00 C ATOM 1083 C PHE A 70 -9.229 -9.692 3.626 1.00 0.00 C ATOM 1084 O PHE A 70 -8.892 -9.052 2.627 1.00 0.00 O ATOM 1085 CB PHE A 70 -7.635 -11.307 4.785 1.00 0.00 C ATOM 1086 CG PHE A 70 -6.445 -10.386 4.567 1.00 0.00 C ATOM 1087 CD1 PHE A 70 -5.656 -10.514 3.409 1.00 0.00 C ATOM 1088 CD2 PHE A 70 -6.272 -9.266 5.401 1.00 0.00 C ATOM 1089 CE1 PHE A 70 -4.792 -9.478 3.027 1.00 0.00 C ATOM 1090 CE2 PHE A 70 -5.391 -8.238 5.030 1.00 0.00 C ATOM 1091 CZ PHE A 70 -4.665 -8.337 3.834 1.00 0.00 C ATOM 0 H PHE A 70 -8.243 -10.809 1.784 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.597 -11.759 4.136 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.035 -11.130 5.784 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.286 -12.339 4.760 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.716 -11.413 2.813 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.819 -9.197 6.330 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.224 -9.558 2.112 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.272 -7.372 5.665 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.008 -7.534 3.534 1.00 0.00 H new ATOM 1101 N ASP A 71 -10.005 -9.177 4.587 1.00 0.00 N ATOM 1102 CA ASP A 71 -10.377 -7.766 4.586 1.00 0.00 C ATOM 1103 C ASP A 71 -9.166 -6.927 4.975 1.00 0.00 C ATOM 1104 O ASP A 71 -8.484 -7.244 5.949 1.00 0.00 O ATOM 1105 CB ASP A 71 -11.534 -7.466 5.542 1.00 0.00 C ATOM 1106 CG ASP A 71 -11.950 -6.002 5.412 1.00 0.00 C ATOM 1107 OD1 ASP A 71 -11.280 -5.127 6.004 1.00 0.00 O ATOM 1108 OD2 ASP A 71 -12.970 -5.774 4.723 1.00 0.00 O ATOM 0 H ASP A 71 -10.383 -9.715 5.367 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.713 -7.514 3.580 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.380 -8.115 5.317 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.234 -7.678 6.568 1.00 0.00 H new ATOM 1113 N GLU A 72 -8.919 -5.865 4.218 1.00 0.00 N ATOM 1114 CA GLU A 72 -7.951 -4.841 4.525 1.00 0.00 C ATOM 1115 C GLU A 72 -8.718 -3.519 4.515 1.00 0.00 C ATOM 1116 O GLU A 72 -9.473 -3.243 3.583 1.00 0.00 O ATOM 1117 CB GLU A 72 -6.819 -4.931 3.495 1.00 0.00 C ATOM 1118 CG GLU A 72 -5.549 -4.186 3.918 1.00 0.00 C ATOM 1119 CD GLU A 72 -4.301 -4.795 3.288 1.00 0.00 C ATOM 1120 OE1 GLU A 72 -4.389 -5.265 2.130 1.00 0.00 O ATOM 1121 OE2 GLU A 72 -3.274 -4.814 3.997 1.00 0.00 O ATOM 0 H GLU A 72 -9.411 -5.695 3.341 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.475 -4.946 5.500 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.576 -5.980 3.324 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.169 -4.526 2.545 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.628 -3.138 3.628 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.457 -4.211 5.004 1.00 0.00 H new ATOM 1128 N THR A 73 -8.569 -2.734 5.580 1.00 0.00 N ATOM 1129 CA THR A 73 -9.267 -1.476 5.772 1.00 0.00 C ATOM 1130 C THR A 73 -8.208 -0.400 6.010 1.00 0.00 C ATOM 1131 O THR A 73 -7.568 -0.402 7.059 1.00 0.00 O ATOM 1132 CB THR A 73 -10.270 -1.631 6.927 1.00 0.00 C ATOM 1133 OG1 THR A 73 -11.305 -2.536 6.577 1.00 0.00 O ATOM 1134 CG2 THR A 73 -10.962 -0.303 7.250 1.00 0.00 C ATOM 0 H THR A 73 -7.942 -2.966 6.350 1.00 0.00 H new ATOM 0 HA THR A 73 -9.853 -1.180 4.902 1.00 0.00 H new ATOM 0 HB THR A 73 -9.696 -1.989 7.781 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.919 -3.416 6.385 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.664 -0.449 8.071 1.00 0.00 H new ATOM 0 HG22 THR A 73 -10.215 0.436 7.539 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.500 0.050 6.370 1.00 0.00 H new ATOM 1142 N THR A 74 -7.998 0.486 5.029 1.00 0.00 N ATOM 1143 CA THR A 74 -6.929 1.480 5.030 1.00 0.00 C ATOM 1144 C THR A 74 -7.493 2.852 4.652 1.00 0.00 C ATOM 1145 O THR A 74 -8.289 2.970 3.722 1.00 0.00 O ATOM 1146 CB THR A 74 -5.800 1.027 4.085 1.00 0.00 C ATOM 1147 OG1 THR A 74 -4.832 2.048 3.948 1.00 0.00 O ATOM 1148 CG2 THR A 74 -6.292 0.584 2.704 1.00 0.00 C ATOM 0 H THR A 74 -8.583 0.529 4.195 1.00 0.00 H new ATOM 0 HA THR A 74 -6.502 1.571 6.029 1.00 0.00 H new ATOM 0 HB THR A 74 -5.354 0.148 4.550 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.018 2.569 3.139 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.441 0.279 2.095 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.978 -0.256 2.814 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.808 1.413 2.218 1.00 0.00 H new ATOM 1156 N ALA A 75 -7.074 3.915 5.346 1.00 0.00 N ATOM 1157 CA ALA A 75 -7.566 5.274 5.130 1.00 0.00 C ATOM 1158 C ALA A 75 -6.967 5.940 3.877 1.00 0.00 C ATOM 1159 O ALA A 75 -6.683 7.136 3.893 1.00 0.00 O ATOM 1160 CB ALA A 75 -7.307 6.104 6.393 1.00 0.00 C ATOM 0 H ALA A 75 -6.373 3.852 6.084 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.638 5.222 4.941 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.671 7.120 6.242 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.829 5.654 7.238 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.237 6.129 6.599 1.00 0.00 H new ATOM 1166 N ASP A 76 -6.820 5.178 2.792 1.00 0.00 N ATOM 1167 CA ASP A 76 -6.531 5.656 1.446 1.00 0.00 C ATOM 1168 C ASP A 76 -7.243 4.741 0.452 1.00 0.00 C ATOM 1169 O ASP A 76 -8.047 5.219 -0.347 1.00 0.00 O ATOM 1170 CB ASP A 76 -5.024 5.824 1.166 1.00 0.00 C ATOM 1171 CG ASP A 76 -4.182 4.553 1.133 1.00 0.00 C ATOM 1172 OD1 ASP A 76 -4.602 3.563 1.786 1.00 0.00 O ATOM 1173 OD2 ASP A 76 -3.099 4.612 0.500 1.00 0.00 O ATOM 0 H ASP A 76 -6.904 4.162 2.834 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.918 6.669 1.333 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.912 6.330 0.207 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.609 6.486 1.926 1.00 0.00 H new ATOM 1178 N ASP A 77 -7.010 3.424 0.530 1.00 0.00 N ATOM 1179 CA ASP A 77 -7.706 2.468 -0.335 1.00 0.00 C ATOM 1180 C ASP A 77 -9.089 2.026 0.194 1.00 0.00 C ATOM 1181 O ASP A 77 -9.781 1.235 -0.442 1.00 0.00 O ATOM 1182 CB ASP A 77 -6.815 1.289 -0.750 1.00 0.00 C ATOM 1183 CG ASP A 77 -6.959 0.941 -2.235 1.00 0.00 C ATOM 1184 OD1 ASP A 77 -8.035 1.207 -2.827 1.00 0.00 O ATOM 1185 OD2 ASP A 77 -5.961 0.426 -2.784 1.00 0.00 O ATOM 0 H ASP A 77 -6.348 3.000 1.180 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.927 3.021 -1.248 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.774 1.531 -0.536 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.069 0.416 -0.149 1.00 0.00 H new ATOM 1190 N ARG A 78 -9.534 2.566 1.333 1.00 0.00 N ATOM 1191 CA ARG A 78 -10.818 2.272 1.969 1.00 0.00 C ATOM 1192 C ARG A 78 -10.871 0.813 2.463 1.00 0.00 C ATOM 1193 O ARG A 78 -9.844 0.261 2.855 1.00 0.00 O ATOM 1194 CB ARG A 78 -12.031 2.676 1.100 1.00 0.00 C ATOM 1195 CG ARG A 78 -12.070 4.140 0.620 1.00 0.00 C ATOM 1196 CD ARG A 78 -11.369 4.404 -0.719 1.00 0.00 C ATOM 1197 NE ARG A 78 -11.793 3.447 -1.758 1.00 0.00 N ATOM 1198 CZ ARG A 78 -10.955 2.774 -2.564 1.00 0.00 C ATOM 1199 NH1 ARG A 78 -9.721 3.223 -2.770 1.00 0.00 N ATOM 1200 NH2 ARG A 78 -11.332 1.628 -3.137 1.00 0.00 N ATOM 0 H ARG A 78 -8.985 3.248 1.857 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.895 2.905 2.853 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.055 2.028 0.224 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -12.940 2.478 1.668 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.111 4.451 0.535 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.611 4.769 1.383 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.587 5.419 -1.049 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.289 4.338 -0.583 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.793 3.285 -1.873 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.408 4.081 -2.316 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.087 2.710 -3.383 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.265 1.254 -2.965 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.687 1.126 -3.747 1.00 0.00 H new ATOM 1214 N LYS A 79 -12.068 0.211 2.491 1.00 0.00 N ATOM 1215 CA LYS A 79 -12.337 -1.143 2.956 1.00 0.00 C ATOM 1216 C LYS A 79 -12.427 -2.055 1.737 1.00 0.00 C ATOM 1217 O LYS A 79 -13.291 -1.840 0.887 1.00 0.00 O ATOM 1218 CB LYS A 79 -13.656 -1.138 3.744 1.00 0.00 C ATOM 1219 CG LYS A 79 -13.967 -2.510 4.356 1.00 0.00 C ATOM 1220 CD LYS A 79 -15.289 -2.445 5.136 1.00 0.00 C ATOM 1221 CE LYS A 79 -15.445 -3.630 6.097 1.00 0.00 C ATOM 1222 NZ LYS A 79 -15.307 -4.928 5.412 1.00 0.00 N ATOM 0 H LYS A 79 -12.913 0.685 2.172 1.00 0.00 H new ATOM 0 HA LYS A 79 -11.545 -1.505 3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.602 -0.392 4.537 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -14.471 -0.843 3.084 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.035 -3.262 3.570 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -13.157 -2.814 5.019 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -15.333 -1.513 5.699 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -16.124 -2.434 4.435 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.696 -3.556 6.886 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -16.421 -3.578 6.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.870 -5.646 5.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -15.647 -4.842 4.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.307 -5.214 5.407 1.00 0.00 H new ATOM 1236 N VAL A 80 -11.547 -3.052 1.643 1.00 0.00 N ATOM 1237 CA VAL A 80 -11.420 -3.906 0.473 1.00 0.00 C ATOM 1238 C VAL A 80 -11.139 -5.337 0.935 1.00 0.00 C ATOM 1239 O VAL A 80 -10.404 -5.529 1.897 1.00 0.00 O ATOM 1240 CB VAL A 80 -10.285 -3.368 -0.427 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -10.401 -1.856 -0.670 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -8.889 -3.605 0.168 1.00 0.00 C ATOM 0 H VAL A 80 -10.895 -3.288 2.391 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.342 -3.906 -0.109 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.399 -3.922 -1.359 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.581 -1.526 -1.308 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.351 -1.638 -1.158 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.354 -1.330 0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.133 -3.206 -0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.815 -3.103 1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.728 -4.675 0.302 1.00 0.00 H new ATOM 1252 N LYS A 81 -11.650 -6.355 0.238 1.00 0.00 N ATOM 1253 CA LYS A 81 -10.975 -7.643 0.267 1.00 0.00 C ATOM 1254 C LYS A 81 -9.682 -7.485 -0.524 1.00 0.00 C ATOM 1255 O LYS A 81 -9.715 -7.011 -1.659 1.00 0.00 O ATOM 1256 CB LYS A 81 -11.823 -8.771 -0.327 1.00 0.00 C ATOM 1257 CG LYS A 81 -12.780 -9.387 0.703 1.00 0.00 C ATOM 1258 CD LYS A 81 -13.151 -10.800 0.234 1.00 0.00 C ATOM 1259 CE LYS A 81 -13.986 -11.561 1.270 1.00 0.00 C ATOM 1260 NZ LYS A 81 -14.148 -12.979 0.886 1.00 0.00 N ATOM 0 H LYS A 81 -12.496 -6.313 -0.331 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.786 -7.925 1.303 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -12.398 -8.385 -1.168 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.167 -9.548 -0.719 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.308 -9.425 1.685 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.675 -8.773 0.804 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -13.708 -10.735 -0.700 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.240 -11.360 0.023 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.505 -11.498 2.246 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.966 -11.093 1.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.039 -13.345 1.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.169 -13.058 -0.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.351 -13.533 1.259 1.00 0.00 H new ATOM 1274 N SER A 82 -8.560 -7.866 0.083 1.00 0.00 N ATOM 1275 CA SER A 82 -7.229 -7.773 -0.484 1.00 0.00 C ATOM 1276 C SER A 82 -6.777 -9.195 -0.817 1.00 0.00 C ATOM 1277 O SER A 82 -6.395 -9.944 0.081 1.00 0.00 O ATOM 1278 CB SER A 82 -6.342 -7.079 0.555 1.00 0.00 C ATOM 1279 OG SER A 82 -5.100 -6.671 0.026 1.00 0.00 O ATOM 0 H SER A 82 -8.560 -8.264 1.022 1.00 0.00 H new ATOM 0 HA SER A 82 -7.182 -7.189 -1.403 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.866 -6.210 0.952 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.171 -7.757 1.391 1.00 0.00 H new ATOM 0 HG SER A 82 -4.747 -5.926 0.556 1.00 0.00 H new ATOM 1285 N ILE A 83 -6.886 -9.582 -2.092 1.00 0.00 N ATOM 1286 CA ILE A 83 -6.641 -10.933 -2.579 1.00 0.00 C ATOM 1287 C ILE A 83 -5.264 -10.953 -3.236 1.00 0.00 C ATOM 1288 O ILE A 83 -5.106 -10.436 -4.343 1.00 0.00 O ATOM 1289 CB ILE A 83 -7.749 -11.338 -3.570 1.00 0.00 C ATOM 1290 CG1 ILE A 83 -9.159 -11.167 -2.971 1.00 0.00 C ATOM 1291 CG2 ILE A 83 -7.540 -12.778 -4.062 1.00 0.00 C ATOM 1292 CD1 ILE A 83 -9.891 -9.968 -3.583 1.00 0.00 C ATOM 0 H ILE A 83 -7.157 -8.937 -2.835 1.00 0.00 H new ATOM 0 HA ILE A 83 -6.658 -11.653 -1.761 1.00 0.00 H new ATOM 0 HB ILE A 83 -7.678 -10.663 -4.423 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.739 -12.074 -3.141 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -9.083 -11.035 -1.892 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -8.334 -13.043 -4.761 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.575 -12.855 -4.563 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.563 -13.460 -3.212 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -10.881 -9.879 -3.136 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.323 -9.058 -3.390 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.990 -10.113 -4.659 1.00 0.00 H new ATOM 1304 N VAL A 84 -4.257 -11.511 -2.559 1.00 0.00 N ATOM 1305 CA VAL A 84 -2.875 -11.456 -3.024 1.00 0.00 C ATOM 1306 C VAL A 84 -2.346 -12.862 -3.292 1.00 0.00 C ATOM 1307 O VAL A 84 -2.639 -13.786 -2.535 1.00 0.00 O ATOM 1308 CB VAL A 84 -2.005 -10.669 -2.033 1.00 0.00 C ATOM 1309 CG1 VAL A 84 -0.683 -10.235 -2.676 1.00 0.00 C ATOM 1310 CG2 VAL A 84 -2.739 -9.403 -1.593 1.00 0.00 C ATOM 0 H VAL A 84 -4.379 -12.010 -1.678 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.834 -10.919 -3.972 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.804 -11.323 -1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.090 -9.680 -1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.129 -11.116 -3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.889 -9.599 -3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.118 -8.848 -0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.946 -8.781 -2.464 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.678 -9.676 -1.111 1.00 0.00 H new ATOM 1320 N THR A 85 -1.592 -13.006 -4.386 1.00 0.00 N ATOM 1321 CA THR A 85 -0.985 -14.234 -4.886 1.00 0.00 C ATOM 1322 C THR A 85 0.280 -13.826 -5.663 1.00 0.00 C ATOM 1323 O THR A 85 0.685 -12.663 -5.607 1.00 0.00 O ATOM 1324 CB THR A 85 -1.997 -14.975 -5.786 1.00 0.00 C ATOM 1325 OG1 THR A 85 -2.549 -14.081 -6.724 1.00 0.00 O ATOM 1326 CG2 THR A 85 -3.173 -15.572 -5.013 1.00 0.00 C ATOM 0 H THR A 85 -1.377 -12.209 -4.985 1.00 0.00 H new ATOM 0 HA THR A 85 -0.714 -14.914 -4.078 1.00 0.00 H new ATOM 0 HB THR A 85 -1.434 -15.781 -6.257 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.189 -14.558 -7.293 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.845 -16.078 -5.706 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.801 -16.288 -4.281 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.713 -14.776 -4.500 1.00 0.00 H new ATOM 1334 N LEU A 86 0.895 -14.740 -6.420 1.00 0.00 N ATOM 1335 CA LEU A 86 1.858 -14.402 -7.454 1.00 0.00 C ATOM 1336 C LEU A 86 1.623 -15.331 -8.641 1.00 0.00 C ATOM 1337 O LEU A 86 1.065 -16.412 -8.447 1.00 0.00 O ATOM 1338 CB LEU A 86 3.291 -14.460 -6.894 1.00 0.00 C ATOM 1339 CG LEU A 86 3.845 -15.857 -6.551 1.00 0.00 C ATOM 1340 CD1 LEU A 86 4.317 -16.619 -7.802 1.00 0.00 C ATOM 1341 CD2 LEU A 86 5.040 -15.706 -5.598 1.00 0.00 C ATOM 0 H LEU A 86 0.732 -15.742 -6.326 1.00 0.00 H new ATOM 0 HA LEU A 86 1.725 -13.377 -7.801 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.959 -13.998 -7.621 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.329 -13.848 -5.993 1.00 0.00 H new ATOM 0 HG LEU A 86 3.037 -16.424 -6.089 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.699 -17.597 -7.510 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.480 -16.746 -8.488 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.107 -16.054 -8.296 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.436 -16.691 -5.352 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.817 -15.113 -6.080 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.716 -15.207 -4.685 1.00 0.00 H new ATOM 1353 N ASP A 87 2.031 -14.914 -9.842 1.00 0.00 N ATOM 1354 CA ASP A 87 2.050 -15.730 -11.049 1.00 0.00 C ATOM 1355 C ASP A 87 3.481 -15.725 -11.585 1.00 0.00 C ATOM 1356 O ASP A 87 4.130 -14.683 -11.577 1.00 0.00 O ATOM 1357 CB ASP A 87 1.050 -15.195 -12.086 1.00 0.00 C ATOM 1358 CG ASP A 87 1.562 -13.977 -12.851 1.00 0.00 C ATOM 1359 OD1 ASP A 87 1.361 -12.850 -12.347 1.00 0.00 O ATOM 1360 OD2 ASP A 87 2.136 -14.201 -13.938 1.00 0.00 O ATOM 0 H ASP A 87 2.368 -13.965 -10.002 1.00 0.00 H new ATOM 0 HA ASP A 87 1.744 -16.753 -10.828 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.815 -15.988 -12.796 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.120 -14.933 -11.581 1.00 0.00 H new ATOM 1365 N GLY A 88 4.007 -16.889 -11.978 1.00 0.00 N ATOM 1366 CA GLY A 88 5.375 -17.036 -12.462 1.00 0.00 C ATOM 1367 C GLY A 88 6.411 -16.611 -11.415 1.00 0.00 C ATOM 1368 O GLY A 88 6.953 -17.448 -10.698 1.00 0.00 O ATOM 0 H GLY A 88 3.484 -17.765 -11.967 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.549 -18.075 -12.742 1.00 0.00 H new ATOM 0 HA3 GLY A 88 5.506 -16.437 -13.363 1.00 0.00 H new ATOM 1372 N GLY A 89 6.678 -15.306 -11.333 1.00 0.00 N ATOM 1373 CA GLY A 89 7.506 -14.678 -10.312 1.00 0.00 C ATOM 1374 C GLY A 89 7.119 -13.204 -10.155 1.00 0.00 C ATOM 1375 O GLY A 89 7.970 -12.356 -9.896 1.00 0.00 O ATOM 0 H GLY A 89 6.306 -14.635 -12.005 1.00 0.00 H new ATOM 0 HA2 GLY A 89 7.383 -15.198 -9.362 1.00 0.00 H new ATOM 0 HA3 GLY A 89 8.558 -14.759 -10.585 1.00 0.00 H new ATOM 1379 N LYS A 90 5.830 -12.907 -10.335 1.00 0.00 N ATOM 1380 CA LYS A 90 5.248 -11.582 -10.416 1.00 0.00 C ATOM 1381 C LYS A 90 4.119 -11.548 -9.395 1.00 0.00 C ATOM 1382 O LYS A 90 3.253 -12.418 -9.411 1.00 0.00 O ATOM 1383 CB LYS A 90 4.749 -11.394 -11.853 1.00 0.00 C ATOM 1384 CG LYS A 90 4.142 -10.012 -12.126 1.00 0.00 C ATOM 1385 CD LYS A 90 4.506 -9.589 -13.558 1.00 0.00 C ATOM 1386 CE LYS A 90 4.164 -8.121 -13.841 1.00 0.00 C ATOM 1387 NZ LYS A 90 4.844 -7.644 -15.063 1.00 0.00 N ATOM 0 H LYS A 90 5.127 -13.639 -10.433 1.00 0.00 H new ATOM 0 HA LYS A 90 5.946 -10.775 -10.195 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.580 -11.557 -12.540 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.002 -12.157 -12.070 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.059 -10.044 -12.005 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.521 -9.284 -11.409 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.572 -9.748 -13.721 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.977 -10.225 -14.267 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.086 -8.011 -13.954 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.460 -7.505 -12.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.400 -6.760 -15.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.849 -7.471 -14.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.763 -8.364 -15.809 1.00 0.00 H new ATOM 1401 N LEU A 91 4.161 -10.602 -8.457 1.00 0.00 N ATOM 1402 CA LEU A 91 3.253 -10.597 -7.321 1.00 0.00 C ATOM 1403 C LEU A 91 1.938 -9.957 -7.751 1.00 0.00 C ATOM 1404 O LEU A 91 1.947 -8.821 -8.222 1.00 0.00 O ATOM 1405 CB LEU A 91 3.933 -9.880 -6.151 1.00 0.00 C ATOM 1406 CG LEU A 91 3.132 -9.944 -4.841 1.00 0.00 C ATOM 1407 CD1 LEU A 91 4.105 -9.740 -3.675 1.00 0.00 C ATOM 1408 CD2 LEU A 91 2.011 -8.896 -4.803 1.00 0.00 C ATOM 0 H LEU A 91 4.822 -9.825 -8.467 1.00 0.00 H new ATOM 0 HA LEU A 91 3.018 -11.605 -6.980 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.916 -10.321 -5.988 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.092 -8.836 -6.419 1.00 0.00 H new ATOM 0 HG LEU A 91 2.648 -10.918 -4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.558 -9.782 -2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.861 -10.525 -3.690 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.589 -8.768 -3.771 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.470 -8.976 -3.860 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.442 -7.899 -4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.324 -9.068 -5.631 1.00 0.00 H new ATOM 1420 N VAL A 92 0.824 -10.676 -7.593 1.00 0.00 N ATOM 1421 CA VAL A 92 -0.502 -10.292 -8.059 1.00 0.00 C ATOM 1422 C VAL A 92 -1.337 -9.864 -6.855 1.00 0.00 C ATOM 1423 O VAL A 92 -1.345 -10.553 -5.837 1.00 0.00 O ATOM 1424 CB VAL A 92 -1.167 -11.488 -8.767 1.00 0.00 C ATOM 1425 CG1 VAL A 92 -2.593 -11.128 -9.211 1.00 0.00 C ATOM 1426 CG2 VAL A 92 -0.378 -11.995 -9.983 1.00 0.00 C ATOM 0 H VAL A 92 0.826 -11.578 -7.117 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.427 -9.465 -8.766 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.187 -12.293 -8.032 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.046 -11.985 -9.709 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.188 -10.858 -8.339 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.557 -10.285 -9.901 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.904 -12.837 -10.432 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.284 -11.193 -10.716 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.614 -12.315 -9.665 1.00 0.00 H new ATOM 1436 N HIS A 93 -2.047 -8.738 -6.969 1.00 0.00 N ATOM 1437 CA HIS A 93 -2.968 -8.238 -5.959 1.00 0.00 C ATOM 1438 C HIS A 93 -4.267 -7.847 -6.661 1.00 0.00 C ATOM 1439 O HIS A 93 -4.328 -6.798 -7.299 1.00 0.00 O ATOM 1440 CB HIS A 93 -2.310 -7.054 -5.237 1.00 0.00 C ATOM 1441 CG HIS A 93 -3.122 -6.345 -4.174 1.00 0.00 C ATOM 1442 ND1 HIS A 93 -2.754 -5.154 -3.571 1.00 0.00 N ATOM 1443 CD2 HIS A 93 -4.206 -6.837 -3.498 1.00 0.00 C ATOM 1444 CE1 HIS A 93 -3.582 -4.942 -2.532 1.00 0.00 C ATOM 1445 NE2 HIS A 93 -4.464 -5.955 -2.466 1.00 0.00 N ATOM 0 H HIS A 93 -1.991 -8.137 -7.791 1.00 0.00 H new ATOM 0 HA HIS A 93 -3.200 -8.991 -5.206 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -1.390 -7.411 -4.775 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -2.024 -6.318 -5.989 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -4.753 -7.739 -3.727 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -3.544 -4.097 -1.861 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -5.202 -6.056 -1.769 1.00 0.00 H new ATOM 1454 N VAL A 94 -5.296 -8.686 -6.533 1.00 0.00 N ATOM 1455 CA VAL A 94 -6.666 -8.343 -6.879 1.00 0.00 C ATOM 1456 C VAL A 94 -7.286 -7.764 -5.608 1.00 0.00 C ATOM 1457 O VAL A 94 -6.976 -8.212 -4.504 1.00 0.00 O ATOM 1458 CB VAL A 94 -7.410 -9.580 -7.414 1.00 0.00 C ATOM 1459 CG1 VAL A 94 -8.848 -9.245 -7.830 1.00 0.00 C ATOM 1460 CG2 VAL A 94 -6.670 -10.144 -8.632 1.00 0.00 C ATOM 0 H VAL A 94 -5.194 -9.637 -6.180 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.725 -7.608 -7.682 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.442 -10.313 -6.608 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.338 -10.145 -8.202 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -9.396 -8.863 -6.969 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.833 -8.489 -8.615 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.201 -11.019 -9.007 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.624 -9.385 -9.413 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.658 -10.429 -8.343 1.00 0.00 H new ATOM 1470 N GLN A 95 -8.101 -6.720 -5.731 1.00 0.00 N ATOM 1471 CA GLN A 95 -8.557 -5.963 -4.580 1.00 0.00 C ATOM 1472 C GLN A 95 -9.991 -5.501 -4.825 1.00 0.00 C ATOM 1473 O GLN A 95 -10.243 -4.739 -5.757 1.00 0.00 O ATOM 1474 CB GLN A 95 -7.566 -4.824 -4.348 1.00 0.00 C ATOM 1475 CG GLN A 95 -7.900 -4.032 -3.091 1.00 0.00 C ATOM 1476 CD GLN A 95 -6.778 -3.056 -2.785 1.00 0.00 C ATOM 1477 OE1 GLN A 95 -5.973 -3.294 -1.892 1.00 0.00 O ATOM 1478 NE2 GLN A 95 -6.717 -1.974 -3.543 1.00 0.00 N ATOM 0 H GLN A 95 -8.458 -6.381 -6.624 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.584 -6.561 -3.669 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -6.558 -5.230 -4.265 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.570 -4.157 -5.210 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -8.837 -3.492 -3.229 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -8.044 -4.710 -2.250 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -7.413 -1.823 -4.274 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -5.974 -1.290 -3.397 1.00 0.00 H new ATOM 1487 N LYS A 96 -10.931 -6.008 -4.024 1.00 0.00 N ATOM 1488 CA LYS A 96 -12.349 -6.015 -4.346 1.00 0.00 C ATOM 1489 C LYS A 96 -13.150 -5.406 -3.206 1.00 0.00 C ATOM 1490 O LYS A 96 -13.116 -5.936 -2.100 1.00 0.00 O ATOM 1491 CB LYS A 96 -12.754 -7.468 -4.626 1.00 0.00 C ATOM 1492 CG LYS A 96 -14.235 -7.632 -4.996 1.00 0.00 C ATOM 1493 CD LYS A 96 -14.410 -8.936 -5.789 1.00 0.00 C ATOM 1494 CE LYS A 96 -15.790 -9.022 -6.459 1.00 0.00 C ATOM 1495 NZ LYS A 96 -15.710 -9.711 -7.764 1.00 0.00 N ATOM 0 H LYS A 96 -10.719 -6.431 -3.120 1.00 0.00 H new ATOM 0 HA LYS A 96 -12.555 -5.409 -5.228 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.140 -7.858 -5.438 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.539 -8.073 -3.745 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -14.848 -7.654 -4.095 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -14.571 -6.782 -5.590 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.633 -9.004 -6.550 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.278 -9.787 -5.121 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -16.481 -9.554 -5.806 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -16.192 -8.019 -6.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.657 -10.040 -8.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.348 -9.052 -8.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.069 -10.526 -7.687 1.00 0.00 H new ATOM 1509 N TRP A 97 -13.875 -4.313 -3.469 1.00 0.00 N ATOM 1510 CA TRP A 97 -14.678 -3.656 -2.448 1.00 0.00 C ATOM 1511 C TRP A 97 -16.152 -4.011 -2.607 1.00 0.00 C ATOM 1512 O TRP A 97 -16.724 -4.629 -1.711 1.00 0.00 O ATOM 1513 CB TRP A 97 -14.406 -2.150 -2.418 1.00 0.00 C ATOM 1514 CG TRP A 97 -14.088 -1.474 -3.713 1.00 0.00 C ATOM 1515 CD1 TRP A 97 -14.981 -0.865 -4.521 1.00 0.00 C ATOM 1516 CD2 TRP A 97 -12.781 -1.240 -4.315 1.00 0.00 C ATOM 1517 NE1 TRP A 97 -14.313 -0.240 -5.550 1.00 0.00 N ATOM 1518 CE2 TRP A 97 -12.954 -0.408 -5.457 1.00 0.00 C ATOM 1519 CE3 TRP A 97 -11.460 -1.614 -3.996 1.00 0.00 C ATOM 1520 CZ2 TRP A 97 -11.879 0.066 -6.217 1.00 0.00 C ATOM 1521 CZ3 TRP A 97 -10.369 -1.118 -4.730 1.00 0.00 C ATOM 1522 CH2 TRP A 97 -10.576 -0.289 -5.845 1.00 0.00 C ATOM 0 H TRP A 97 -13.918 -3.868 -4.386 1.00 0.00 H new ATOM 0 HA TRP A 97 -14.382 -4.030 -1.468 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -15.281 -1.660 -1.990 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -13.575 -1.973 -1.735 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -16.052 -0.867 -4.382 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -14.773 0.285 -6.293 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -11.283 -2.292 -3.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -12.051 0.696 -7.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -9.363 -1.376 -4.434 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -9.733 0.074 -6.414 1.00 0.00 H new ATOM 1533 N ASN A 98 -16.780 -3.647 -3.731 1.00 0.00 N ATOM 1534 CA ASN A 98 -18.210 -3.900 -3.910 1.00 0.00 C ATOM 1535 C ASN A 98 -18.642 -3.789 -5.372 1.00 0.00 C ATOM 1536 O ASN A 98 -18.562 -4.776 -6.097 1.00 0.00 O ATOM 1537 CB ASN A 98 -19.085 -3.083 -2.932 1.00 0.00 C ATOM 1538 CG ASN A 98 -18.840 -1.575 -2.947 1.00 0.00 C ATOM 1539 OD1 ASN A 98 -17.778 -1.100 -2.565 1.00 0.00 O ATOM 1540 ND2 ASN A 98 -19.814 -0.797 -3.413 1.00 0.00 N ATOM 0 H ASN A 98 -16.327 -3.183 -4.518 1.00 0.00 H new ATOM 0 HA ASN A 98 -18.383 -4.941 -3.639 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -20.133 -3.267 -3.166 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -18.915 -3.453 -1.921 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -19.683 0.214 -3.457 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -20.692 -1.211 -3.727 1.00 0.00 H new ATOM 1547 N GLY A 99 -19.110 -2.619 -5.822 1.00 0.00 N ATOM 1548 CA GLY A 99 -19.682 -2.466 -7.153 1.00 0.00 C ATOM 1549 C GLY A 99 -18.647 -2.717 -8.244 1.00 0.00 C ATOM 1550 O GLY A 99 -18.992 -3.059 -9.371 1.00 0.00 O ATOM 0 H GLY A 99 -19.101 -1.760 -5.273 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -20.514 -3.160 -7.274 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -20.088 -1.460 -7.261 1.00 0.00 H new ATOM 1554 N GLN A 100 -17.374 -2.506 -7.909 1.00 0.00 N ATOM 1555 CA GLN A 100 -16.242 -2.802 -8.754 1.00 0.00 C ATOM 1556 C GLN A 100 -15.055 -3.133 -7.847 1.00 0.00 C ATOM 1557 O GLN A 100 -15.176 -3.140 -6.615 1.00 0.00 O ATOM 1558 CB GLN A 100 -15.966 -1.666 -9.764 1.00 0.00 C ATOM 1559 CG GLN A 100 -16.658 -0.322 -9.495 1.00 0.00 C ATOM 1560 CD GLN A 100 -16.197 0.318 -8.193 1.00 0.00 C ATOM 1561 OE1 GLN A 100 -15.037 0.709 -8.075 1.00 0.00 O ATOM 1562 NE2 GLN A 100 -17.077 0.421 -7.198 1.00 0.00 N ATOM 0 H GLN A 100 -17.105 -2.110 -7.008 1.00 0.00 H new ATOM 0 HA GLN A 100 -16.446 -3.669 -9.382 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -14.890 -1.494 -9.798 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -16.265 -2.011 -10.754 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -16.457 0.359 -10.322 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -17.737 -0.473 -9.461 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -18.033 0.088 -7.326 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -16.795 0.833 -6.309 1.00 0.00 H new ATOM 1571 N GLU A 101 -13.926 -3.425 -8.486 1.00 0.00 N ATOM 1572 CA GLU A 101 -12.693 -3.893 -7.894 1.00 0.00 C ATOM 1573 C GLU A 101 -11.536 -3.287 -8.686 1.00 0.00 C ATOM 1574 O GLU A 101 -11.757 -2.507 -9.616 1.00 0.00 O ATOM 1575 CB GLU A 101 -12.711 -5.431 -7.898 1.00 0.00 C ATOM 1576 CG GLU A 101 -12.969 -6.096 -9.256 1.00 0.00 C ATOM 1577 CD GLU A 101 -13.338 -7.556 -9.042 1.00 0.00 C ATOM 1578 OE1 GLU A 101 -12.462 -8.324 -8.601 1.00 0.00 O ATOM 1579 OE2 GLU A 101 -14.533 -7.885 -9.222 1.00 0.00 O ATOM 0 H GLU A 101 -13.851 -3.332 -9.499 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.574 -3.581 -6.856 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -11.754 -5.787 -7.517 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.477 -5.768 -7.199 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.773 -5.579 -9.779 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -12.081 -6.022 -9.884 1.00 0.00 H new ATOM 1586 N THR A 102 -10.309 -3.623 -8.304 1.00 0.00 N ATOM 1587 CA THR A 102 -9.103 -3.241 -9.011 1.00 0.00 C ATOM 1588 C THR A 102 -8.137 -4.419 -8.983 1.00 0.00 C ATOM 1589 O THR A 102 -8.268 -5.319 -8.152 1.00 0.00 O ATOM 1590 CB THR A 102 -8.516 -1.969 -8.379 1.00 0.00 C ATOM 1591 OG1 THR A 102 -7.472 -1.440 -9.158 1.00 0.00 O ATOM 1592 CG2 THR A 102 -7.968 -2.184 -6.970 1.00 0.00 C ATOM 0 H THR A 102 -10.126 -4.183 -7.472 1.00 0.00 H new ATOM 0 HA THR A 102 -9.312 -3.003 -10.054 1.00 0.00 H new ATOM 0 HB THR A 102 -9.357 -1.277 -8.329 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.614 -1.676 -10.099 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.570 -1.244 -6.587 1.00 0.00 H new ATOM 0 HG22 THR A 102 -8.769 -2.532 -6.317 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.173 -2.930 -6.998 1.00 0.00 H new ATOM 1600 N SER A 103 -7.167 -4.407 -9.893 1.00 0.00 N ATOM 1601 CA SER A 103 -6.140 -5.420 -9.994 1.00 0.00 C ATOM 1602 C SER A 103 -4.810 -4.721 -10.238 1.00 0.00 C ATOM 1603 O SER A 103 -4.743 -3.772 -11.024 1.00 0.00 O ATOM 1604 CB SER A 103 -6.505 -6.415 -11.106 1.00 0.00 C ATOM 1605 OG SER A 103 -7.204 -5.792 -12.171 1.00 0.00 O ATOM 0 H SER A 103 -7.078 -3.672 -10.594 1.00 0.00 H new ATOM 0 HA SER A 103 -6.056 -5.998 -9.074 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.596 -6.877 -11.491 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.118 -7.215 -10.690 1.00 0.00 H new ATOM 0 HG SER A 103 -6.617 -5.142 -12.611 1.00 0.00 H new ATOM 1611 N LEU A 104 -3.755 -5.176 -9.562 1.00 0.00 N ATOM 1612 CA LEU A 104 -2.407 -4.715 -9.823 1.00 0.00 C ATOM 1613 C LEU A 104 -1.444 -5.888 -9.762 1.00 0.00 C ATOM 1614 O LEU A 104 -1.719 -6.888 -9.094 1.00 0.00 O ATOM 1615 CB LEU A 104 -2.029 -3.551 -8.892 1.00 0.00 C ATOM 1616 CG LEU A 104 -1.952 -3.889 -7.393 1.00 0.00 C ATOM 1617 CD1 LEU A 104 -0.574 -4.425 -6.977 1.00 0.00 C ATOM 1618 CD2 LEU A 104 -2.202 -2.628 -6.562 1.00 0.00 C ATOM 0 H LEU A 104 -3.819 -5.874 -8.821 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.345 -4.307 -10.832 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.062 -3.159 -9.207 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.757 -2.751 -9.028 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.707 -4.655 -7.216 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.577 -4.647 -5.910 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.353 -5.334 -7.536 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.188 -3.675 -7.190 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.146 -2.874 -5.502 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.447 -1.879 -6.801 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.191 -2.232 -6.791 1.00 0.00 H new ATOM 1630 N VAL A 105 -0.321 -5.754 -10.464 1.00 0.00 N ATOM 1631 CA VAL A 105 0.768 -6.716 -10.460 1.00 0.00 C ATOM 1632 C VAL A 105 2.069 -5.950 -10.230 1.00 0.00 C ATOM 1633 O VAL A 105 2.201 -4.830 -10.725 1.00 0.00 O ATOM 1634 CB VAL A 105 0.798 -7.533 -11.764 1.00 0.00 C ATOM 1635 CG1 VAL A 105 -0.372 -8.521 -11.827 1.00 0.00 C ATOM 1636 CG2 VAL A 105 0.757 -6.652 -13.018 1.00 0.00 C ATOM 0 H VAL A 105 -0.143 -4.950 -11.066 1.00 0.00 H new ATOM 0 HA VAL A 105 0.628 -7.441 -9.658 1.00 0.00 H new ATOM 0 HB VAL A 105 1.745 -8.072 -11.750 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.324 -9.083 -12.759 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.312 -9.210 -10.984 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.313 -7.973 -11.782 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.781 -7.283 -13.907 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.158 -6.060 -13.017 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.620 -5.986 -13.023 1.00 0.00 H new ATOM 1646 N ARG A 106 2.995 -6.529 -9.456 1.00 0.00 N ATOM 1647 CA ARG A 106 4.294 -5.950 -9.137 1.00 0.00 C ATOM 1648 C ARG A 106 5.402 -6.943 -9.477 1.00 0.00 C ATOM 1649 O ARG A 106 5.318 -8.115 -9.107 1.00 0.00 O ATOM 1650 CB ARG A 106 4.374 -5.586 -7.652 1.00 0.00 C ATOM 1651 CG ARG A 106 3.423 -4.434 -7.310 1.00 0.00 C ATOM 1652 CD ARG A 106 3.590 -4.011 -5.850 1.00 0.00 C ATOM 1653 NE ARG A 106 3.329 -5.149 -4.957 1.00 0.00 N ATOM 1654 CZ ARG A 106 3.935 -5.366 -3.781 1.00 0.00 C ATOM 1655 NH1 ARG A 106 4.679 -4.413 -3.221 1.00 0.00 N ATOM 1656 NH2 ARG A 106 3.798 -6.542 -3.170 1.00 0.00 N ATOM 0 H ARG A 106 2.851 -7.442 -9.024 1.00 0.00 H new ATOM 0 HA ARG A 106 4.420 -5.043 -9.728 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.125 -6.458 -7.048 1.00 0.00 H new ATOM 0 HB3 ARG A 106 5.396 -5.304 -7.399 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.621 -3.585 -7.965 1.00 0.00 H new ATOM 0 HG3 ARG A 106 2.393 -4.741 -7.489 1.00 0.00 H new ATOM 0 HD2 ARG A 106 4.600 -3.635 -5.686 1.00 0.00 H new ATOM 0 HD3 ARG A 106 2.905 -3.195 -5.620 1.00 0.00 H new ATOM 0 HE ARG A 106 2.630 -5.829 -5.256 1.00 0.00 H new ATOM 0 HH11 ARG A 106 4.790 -3.513 -3.687 1.00 0.00 H new ATOM 0 HH12 ARG A 106 5.138 -4.584 -2.326 1.00 0.00 H new ATOM 0 HH21 ARG A 106 3.233 -7.276 -3.597 1.00 0.00 H new ATOM 0 HH22 ARG A 106 4.258 -6.709 -2.275 1.00 0.00 H new ATOM 1670 N GLU A 107 6.443 -6.460 -10.154 1.00 0.00 N ATOM 1671 CA GLU A 107 7.608 -7.231 -10.556 1.00 0.00 C ATOM 1672 C GLU A 107 8.787 -6.269 -10.586 1.00 0.00 C ATOM 1673 O GLU A 107 8.605 -5.137 -11.027 1.00 0.00 O ATOM 1674 CB GLU A 107 7.333 -7.770 -11.963 1.00 0.00 C ATOM 1675 CG GLU A 107 8.541 -8.376 -12.685 1.00 0.00 C ATOM 1676 CD GLU A 107 8.163 -8.800 -14.098 1.00 0.00 C ATOM 1677 OE1 GLU A 107 7.430 -8.017 -14.746 1.00 0.00 O ATOM 1678 OE2 GLU A 107 8.554 -9.915 -14.491 1.00 0.00 O ATOM 0 H GLU A 107 6.495 -5.484 -10.446 1.00 0.00 H new ATOM 0 HA GLU A 107 7.819 -8.059 -9.880 1.00 0.00 H new ATOM 0 HB2 GLU A 107 6.553 -8.529 -11.897 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.937 -6.958 -12.573 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.352 -7.648 -12.722 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.911 -9.237 -12.128 1.00 0.00 H new ATOM 1685 N MET A 108 9.979 -6.704 -10.161 1.00 0.00 N ATOM 1686 CA MET A 108 11.217 -6.023 -10.504 1.00 0.00 C ATOM 1687 C MET A 108 12.001 -6.908 -11.459 1.00 0.00 C ATOM 1688 O MET A 108 12.503 -7.956 -11.061 1.00 0.00 O ATOM 1689 CB MET A 108 12.041 -5.631 -9.267 1.00 0.00 C ATOM 1690 CG MET A 108 13.407 -5.026 -9.634 1.00 0.00 C ATOM 1691 SD MET A 108 14.741 -6.213 -9.982 1.00 0.00 S ATOM 1692 CE MET A 108 16.006 -5.070 -10.578 1.00 0.00 C ATOM 0 H MET A 108 10.105 -7.530 -9.576 1.00 0.00 H new ATOM 0 HA MET A 108 10.979 -5.079 -10.993 1.00 0.00 H new ATOM 0 HB2 MET A 108 11.477 -4.912 -8.672 1.00 0.00 H new ATOM 0 HB3 MET A 108 12.194 -6.511 -8.643 1.00 0.00 H new ATOM 0 HG2 MET A 108 13.276 -4.390 -10.510 1.00 0.00 H new ATOM 0 HG3 MET A 108 13.727 -4.380 -8.816 1.00 0.00 H new ATOM 0 HE1 MET A 108 16.917 -5.623 -10.807 1.00 0.00 H new ATOM 0 HE2 MET A 108 15.649 -4.569 -11.478 1.00 0.00 H new ATOM 0 HE3 MET A 108 16.217 -4.327 -9.809 1.00 0.00 H new ATOM 1702 N VAL A 109 12.191 -6.416 -12.678 1.00 0.00 N ATOM 1703 CA VAL A 109 13.200 -6.878 -13.615 1.00 0.00 C ATOM 1704 C VAL A 109 13.983 -5.632 -14.024 1.00 0.00 C ATOM 1705 O VAL A 109 13.737 -4.558 -13.466 1.00 0.00 O ATOM 1706 CB VAL A 109 12.548 -7.627 -14.793 1.00 0.00 C ATOM 1707 CG1 VAL A 109 12.014 -8.984 -14.325 1.00 0.00 C ATOM 1708 CG2 VAL A 109 11.402 -6.838 -15.435 1.00 0.00 C ATOM 0 H VAL A 109 11.623 -5.656 -13.052 1.00 0.00 H new ATOM 0 HA VAL A 109 13.882 -7.608 -13.179 1.00 0.00 H new ATOM 0 HB VAL A 109 13.326 -7.760 -15.545 1.00 0.00 H new ATOM 0 HG11 VAL A 109 11.555 -9.504 -15.166 1.00 0.00 H new ATOM 0 HG12 VAL A 109 12.836 -9.583 -13.932 1.00 0.00 H new ATOM 0 HG13 VAL A 109 11.270 -8.832 -13.543 1.00 0.00 H new ATOM 0 HG21 VAL A 109 10.980 -7.414 -16.259 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.628 -6.650 -14.691 1.00 0.00 H new ATOM 0 HG23 VAL A 109 11.781 -5.888 -15.813 1.00 0.00 H new ATOM 1718 N ASP A 110 14.933 -5.778 -14.953 1.00 0.00 N ATOM 1719 CA ASP A 110 15.752 -4.676 -15.437 1.00 0.00 C ATOM 1720 C ASP A 110 16.366 -3.939 -14.235 1.00 0.00 C ATOM 1721 O ASP A 110 17.193 -4.519 -13.532 1.00 0.00 O ATOM 1722 CB ASP A 110 14.897 -3.823 -16.388 1.00 0.00 C ATOM 1723 CG ASP A 110 15.614 -2.567 -16.849 1.00 0.00 C ATOM 1724 OD1 ASP A 110 16.477 -2.688 -17.741 1.00 0.00 O ATOM 1725 OD2 ASP A 110 15.294 -1.520 -16.244 1.00 0.00 O ATOM 0 H ASP A 110 15.152 -6.673 -15.390 1.00 0.00 H new ATOM 0 HA ASP A 110 16.608 -5.006 -16.026 1.00 0.00 H new ATOM 0 HB2 ASP A 110 14.622 -4.420 -17.258 1.00 0.00 H new ATOM 0 HB3 ASP A 110 13.970 -3.545 -15.886 1.00 0.00 H new ATOM 1730 N GLY A 111 15.915 -2.720 -13.939 1.00 0.00 N ATOM 1731 CA GLY A 111 16.323 -1.930 -12.792 1.00 0.00 C ATOM 1732 C GLY A 111 15.145 -1.124 -12.253 1.00 0.00 C ATOM 1733 O GLY A 111 15.347 -0.043 -11.705 1.00 0.00 O ATOM 0 H GLY A 111 15.227 -2.242 -14.520 1.00 0.00 H new ATOM 0 HA2 GLY A 111 16.711 -2.584 -12.012 1.00 0.00 H new ATOM 0 HA3 GLY A 111 17.132 -1.257 -13.076 1.00 0.00 H new ATOM 1737 N LYS A 112 13.915 -1.639 -12.381 1.00 0.00 N ATOM 1738 CA LYS A 112 12.721 -0.930 -11.943 1.00 0.00 C ATOM 1739 C LYS A 112 11.662 -1.919 -11.458 1.00 0.00 C ATOM 1740 O LYS A 112 11.592 -3.043 -11.947 1.00 0.00 O ATOM 1741 CB LYS A 112 12.152 -0.075 -13.086 1.00 0.00 C ATOM 1742 CG LYS A 112 12.741 1.348 -13.175 1.00 0.00 C ATOM 1743 CD LYS A 112 11.609 2.263 -13.661 1.00 0.00 C ATOM 1744 CE LYS A 112 11.900 3.764 -13.756 1.00 0.00 C ATOM 1745 NZ LYS A 112 10.620 4.512 -13.799 1.00 0.00 N ATOM 0 H LYS A 112 13.728 -2.555 -12.790 1.00 0.00 H new ATOM 0 HA LYS A 112 12.997 -0.274 -11.117 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.331 -0.588 -14.031 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.071 -0.000 -12.964 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.113 1.675 -12.204 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.584 1.376 -13.865 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.299 1.918 -14.647 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.758 2.128 -12.994 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.493 4.086 -12.900 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.488 3.976 -14.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 10.814 5.525 -13.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.041 4.164 -14.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.106 4.372 -12.906 1.00 0.00 H new ATOM 1759 N LEU A 113 10.835 -1.475 -10.507 1.00 0.00 N ATOM 1760 CA LEU A 113 9.671 -2.184 -10.000 1.00 0.00 C ATOM 1761 C LEU A 113 8.489 -1.768 -10.873 1.00 0.00 C ATOM 1762 O LEU A 113 7.900 -0.702 -10.689 1.00 0.00 O ATOM 1763 CB LEU A 113 9.484 -1.839 -8.515 1.00 0.00 C ATOM 1764 CG LEU A 113 8.448 -2.622 -7.685 1.00 0.00 C ATOM 1765 CD1 LEU A 113 7.037 -2.641 -8.268 1.00 0.00 C ATOM 1766 CD2 LEU A 113 8.895 -4.059 -7.410 1.00 0.00 C ATOM 0 H LEU A 113 10.970 -0.571 -10.054 1.00 0.00 H new ATOM 0 HA LEU A 113 9.776 -3.268 -10.051 1.00 0.00 H new ATOM 0 HB2 LEU A 113 10.451 -1.956 -8.027 1.00 0.00 H new ATOM 0 HB3 LEU A 113 9.222 -0.783 -8.454 1.00 0.00 H new ATOM 0 HG LEU A 113 8.397 -2.062 -6.751 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.381 -3.215 -7.614 1.00 0.00 H new ATOM 0 HD12 LEU A 113 6.664 -1.620 -8.351 1.00 0.00 H new ATOM 0 HD13 LEU A 113 7.058 -3.101 -9.256 1.00 0.00 H new ATOM 0 HD21 LEU A 113 8.133 -4.571 -6.822 1.00 0.00 H new ATOM 0 HD22 LEU A 113 9.037 -4.583 -8.355 1.00 0.00 H new ATOM 0 HD23 LEU A 113 9.834 -4.048 -6.856 1.00 0.00 H new ATOM 1778 N ILE A 114 8.163 -2.603 -11.854 1.00 0.00 N ATOM 1779 CA ILE A 114 7.032 -2.416 -12.740 1.00 0.00 C ATOM 1780 C ILE A 114 5.768 -2.675 -11.920 1.00 0.00 C ATOM 1781 O ILE A 114 5.544 -3.813 -11.503 1.00 0.00 O ATOM 1782 CB ILE A 114 7.159 -3.377 -13.940 1.00 0.00 C ATOM 1783 CG1 ILE A 114 8.489 -3.138 -14.685 1.00 0.00 C ATOM 1784 CG2 ILE A 114 5.964 -3.201 -14.889 1.00 0.00 C ATOM 1785 CD1 ILE A 114 8.739 -4.154 -15.803 1.00 0.00 C ATOM 0 H ILE A 114 8.696 -3.449 -12.056 1.00 0.00 H new ATOM 0 HA ILE A 114 6.992 -1.405 -13.146 1.00 0.00 H new ATOM 0 HB ILE A 114 7.157 -4.402 -13.569 1.00 0.00 H new ATOM 0 HG12 ILE A 114 8.487 -2.134 -15.108 1.00 0.00 H new ATOM 0 HG13 ILE A 114 9.312 -3.181 -13.971 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.065 -3.885 -15.732 1.00 0.00 H new ATOM 0 HG22 ILE A 114 5.040 -3.419 -14.354 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.938 -2.175 -15.255 1.00 0.00 H new ATOM 0 HD11 ILE A 114 9.689 -3.933 -16.289 1.00 0.00 H new ATOM 0 HD12 ILE A 114 8.772 -5.159 -15.381 1.00 0.00 H new ATOM 0 HD13 ILE A 114 7.934 -4.094 -16.536 1.00 0.00 H new ATOM 1797 N LEU A 115 4.960 -1.633 -11.683 1.00 0.00 N ATOM 1798 CA LEU A 115 3.678 -1.725 -11.001 1.00 0.00 C ATOM 1799 C LEU A 115 2.595 -1.190 -11.938 1.00 0.00 C ATOM 1800 O LEU A 115 2.533 0.009 -12.207 1.00 0.00 O ATOM 1801 CB LEU A 115 3.763 -0.975 -9.662 1.00 0.00 C ATOM 1802 CG LEU A 115 2.421 -0.620 -8.996 1.00 0.00 C ATOM 1803 CD1 LEU A 115 1.402 -1.764 -9.019 1.00 0.00 C ATOM 1804 CD2 LEU A 115 2.674 -0.188 -7.545 1.00 0.00 C ATOM 0 H LEU A 115 5.193 -0.682 -11.970 1.00 0.00 H new ATOM 0 HA LEU A 115 3.417 -2.756 -10.760 1.00 0.00 H new ATOM 0 HB2 LEU A 115 4.341 -1.582 -8.965 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.321 -0.052 -9.821 1.00 0.00 H new ATOM 0 HG LEU A 115 1.987 0.193 -9.578 1.00 0.00 H new ATOM 0 HD11 LEU A 115 0.482 -1.441 -8.533 1.00 0.00 H new ATOM 0 HD12 LEU A 115 1.189 -2.041 -10.052 1.00 0.00 H new ATOM 0 HD13 LEU A 115 1.810 -2.625 -8.489 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.726 0.064 -7.070 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.147 -1.004 -7.000 1.00 0.00 H new ATOM 0 HD23 LEU A 115 3.329 0.683 -7.534 1.00 0.00 H new ATOM 1816 N THR A 116 1.734 -2.070 -12.452 1.00 0.00 N ATOM 1817 CA THR A 116 0.597 -1.665 -13.262 1.00 0.00 C ATOM 1818 C THR A 116 -0.658 -1.736 -12.394 1.00 0.00 C ATOM 1819 O THR A 116 -0.898 -2.751 -11.745 1.00 0.00 O ATOM 1820 CB THR A 116 0.518 -2.533 -14.525 1.00 0.00 C ATOM 1821 OG1 THR A 116 0.459 -3.898 -14.189 1.00 0.00 O ATOM 1822 CG2 THR A 116 1.763 -2.337 -15.394 1.00 0.00 C ATOM 0 H THR A 116 1.809 -3.078 -12.316 1.00 0.00 H new ATOM 0 HA THR A 116 0.702 -0.638 -13.611 1.00 0.00 H new ATOM 0 HB THR A 116 -0.380 -2.231 -15.064 1.00 0.00 H new ATOM 0 HG1 THR A 116 0.407 -4.434 -15.008 1.00 0.00 H new ATOM 0 HG21 THR A 116 1.687 -2.961 -16.284 1.00 0.00 H new ATOM 0 HG22 THR A 116 1.839 -1.291 -15.690 1.00 0.00 H new ATOM 0 HG23 THR A 116 2.650 -2.619 -14.827 1.00 0.00 H new ATOM 1830 N LEU A 117 -1.424 -0.641 -12.342 1.00 0.00 N ATOM 1831 CA LEU A 117 -2.668 -0.517 -11.595 1.00 0.00 C ATOM 1832 C LEU A 117 -3.815 -0.440 -12.607 1.00 0.00 C ATOM 1833 O LEU A 117 -3.829 0.473 -13.434 1.00 0.00 O ATOM 1834 CB LEU A 117 -2.583 0.746 -10.718 1.00 0.00 C ATOM 1835 CG LEU A 117 -1.942 0.460 -9.348 1.00 0.00 C ATOM 1836 CD1 LEU A 117 -1.016 1.596 -8.895 1.00 0.00 C ATOM 1837 CD2 LEU A 117 -3.049 0.260 -8.305 1.00 0.00 C ATOM 0 H LEU A 117 -1.179 0.214 -12.841 1.00 0.00 H new ATOM 0 HA LEU A 117 -2.842 -1.370 -10.939 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -2.002 1.508 -11.237 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -3.584 1.153 -10.571 1.00 0.00 H new ATOM 0 HG LEU A 117 -1.337 -0.441 -9.445 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -0.587 1.350 -7.924 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -0.215 1.725 -9.623 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -1.587 2.521 -8.816 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.600 0.057 -7.333 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -3.658 1.162 -8.243 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -3.677 -0.582 -8.598 1.00 0.00 H new ATOM 1849 N THR A 118 -4.745 -1.403 -12.568 1.00 0.00 N ATOM 1850 CA THR A 118 -5.888 -1.487 -13.473 1.00 0.00 C ATOM 1851 C THR A 118 -7.207 -1.461 -12.682 1.00 0.00 C ATOM 1852 O THR A 118 -7.405 -2.260 -11.764 1.00 0.00 O ATOM 1853 CB THR A 118 -5.754 -2.752 -14.338 1.00 0.00 C ATOM 1854 OG1 THR A 118 -5.685 -3.915 -13.540 1.00 0.00 O ATOM 1855 CG2 THR A 118 -4.483 -2.714 -15.189 1.00 0.00 C ATOM 0 H THR A 118 -4.718 -2.162 -11.887 1.00 0.00 H new ATOM 0 HA THR A 118 -5.902 -0.621 -14.135 1.00 0.00 H new ATOM 0 HB THR A 118 -6.638 -2.778 -14.975 1.00 0.00 H new ATOM 0 HG1 THR A 118 -5.247 -3.703 -12.689 1.00 0.00 H new ATOM 0 HG21 THR A 118 -4.419 -3.622 -15.788 1.00 0.00 H new ATOM 0 HG22 THR A 118 -4.512 -1.846 -15.848 1.00 0.00 H new ATOM 0 HG23 THR A 118 -3.611 -2.646 -14.538 1.00 0.00 H new ATOM 1863 N HIS A 119 -8.114 -0.537 -13.017 1.00 0.00 N ATOM 1864 CA HIS A 119 -9.471 -0.453 -12.483 1.00 0.00 C ATOM 1865 C HIS A 119 -10.430 -0.335 -13.673 1.00 0.00 C ATOM 1866 O HIS A 119 -11.037 0.714 -13.919 1.00 0.00 O ATOM 1867 CB HIS A 119 -9.576 0.705 -11.475 1.00 0.00 C ATOM 1868 CG HIS A 119 -10.979 0.983 -10.971 1.00 0.00 C ATOM 1869 ND1 HIS A 119 -11.959 1.662 -11.670 1.00 0.00 N ATOM 1870 CD2 HIS A 119 -11.534 0.549 -9.799 1.00 0.00 C ATOM 1871 CE1 HIS A 119 -13.088 1.639 -10.941 1.00 0.00 C ATOM 1872 NE2 HIS A 119 -12.849 0.979 -9.791 1.00 0.00 N ATOM 0 H HIS A 119 -7.912 0.199 -13.693 1.00 0.00 H new ATOM 0 HA HIS A 119 -9.743 -1.346 -11.920 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -8.935 0.484 -10.621 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -9.186 1.610 -11.941 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -11.845 2.104 -12.582 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -11.040 -0.021 -9.026 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -14.032 2.078 -11.230 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -13.523 0.823 -9.042 1.00 0.00 H new ATOM 1881 N GLY A 120 -10.571 -1.446 -14.400 1.00 0.00 N ATOM 1882 CA GLY A 120 -11.484 -1.601 -15.521 1.00 0.00 C ATOM 1883 C GLY A 120 -11.212 -0.580 -16.624 1.00 0.00 C ATOM 1884 O GLY A 120 -10.427 -0.837 -17.532 1.00 0.00 O ATOM 0 H GLY A 120 -10.030 -2.290 -14.212 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -11.391 -2.608 -15.928 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -12.510 -1.492 -15.171 1.00 0.00 H new ATOM 1888 N THR A 121 -11.878 0.572 -16.539 1.00 0.00 N ATOM 1889 CA THR A 121 -11.720 1.675 -17.473 1.00 0.00 C ATOM 1890 C THR A 121 -10.521 2.544 -17.074 1.00 0.00 C ATOM 1891 O THR A 121 -9.780 3.005 -17.940 1.00 0.00 O ATOM 1892 CB THR A 121 -13.043 2.459 -17.575 1.00 0.00 C ATOM 1893 OG1 THR A 121 -12.964 3.475 -18.545 1.00 0.00 O ATOM 1894 CG2 THR A 121 -13.480 3.131 -16.273 1.00 0.00 C ATOM 0 H THR A 121 -12.556 0.763 -15.801 1.00 0.00 H new ATOM 0 HA THR A 121 -11.499 1.297 -18.471 1.00 0.00 H new ATOM 0 HB THR A 121 -13.776 1.698 -17.841 1.00 0.00 H new ATOM 0 HG1 THR A 121 -13.818 3.954 -18.588 1.00 0.00 H new ATOM 0 HG21 THR A 121 -14.419 3.660 -16.434 1.00 0.00 H new ATOM 0 HG22 THR A 121 -13.618 2.374 -15.501 1.00 0.00 H new ATOM 0 HG23 THR A 121 -12.715 3.839 -15.954 1.00 0.00 H new ATOM 1902 N ALA A 122 -10.324 2.754 -15.768 1.00 0.00 N ATOM 1903 CA ALA A 122 -9.230 3.565 -15.259 1.00 0.00 C ATOM 1904 C ALA A 122 -7.970 2.704 -15.216 1.00 0.00 C ATOM 1905 O ALA A 122 -8.051 1.510 -14.916 1.00 0.00 O ATOM 1906 CB ALA A 122 -9.594 4.124 -13.882 1.00 0.00 C ATOM 0 H ALA A 122 -10.922 2.363 -15.040 1.00 0.00 H new ATOM 0 HA ALA A 122 -9.044 4.418 -15.911 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -8.770 4.731 -13.506 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -10.490 4.740 -13.964 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -9.782 3.300 -13.193 1.00 0.00 H new ATOM 1912 N VAL A 123 -6.812 3.277 -15.546 1.00 0.00 N ATOM 1913 CA VAL A 123 -5.632 2.492 -15.891 1.00 0.00 C ATOM 1914 C VAL A 123 -4.365 3.324 -15.717 1.00 0.00 C ATOM 1915 O VAL A 123 -4.156 4.294 -16.441 1.00 0.00 O ATOM 1916 CB VAL A 123 -5.780 1.914 -17.316 1.00 0.00 C ATOM 1917 CG1 VAL A 123 -5.952 2.969 -18.420 1.00 0.00 C ATOM 1918 CG2 VAL A 123 -4.591 1.014 -17.670 1.00 0.00 C ATOM 0 H VAL A 123 -6.669 4.286 -15.581 1.00 0.00 H new ATOM 0 HA VAL A 123 -5.543 1.646 -15.209 1.00 0.00 H new ATOM 0 HB VAL A 123 -6.705 1.338 -17.283 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -6.048 2.473 -19.386 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -6.848 3.558 -18.224 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -5.082 3.626 -18.435 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -4.720 0.620 -18.678 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -3.669 1.594 -17.622 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -4.537 0.187 -16.962 1.00 0.00 H new ATOM 1928 N CYS A 124 -3.500 2.933 -14.776 1.00 0.00 N ATOM 1929 CA CYS A 124 -2.251 3.617 -14.482 1.00 0.00 C ATOM 1930 C CYS A 124 -1.095 2.621 -14.409 1.00 0.00 C ATOM 1931 O CYS A 124 -0.890 1.975 -13.384 1.00 0.00 O ATOM 1932 CB CYS A 124 -2.394 4.389 -13.165 1.00 0.00 C ATOM 1933 SG CYS A 124 -0.773 4.995 -12.611 1.00 0.00 S ATOM 0 H CYS A 124 -3.658 2.114 -14.189 1.00 0.00 H new ATOM 0 HA CYS A 124 -2.029 4.321 -15.284 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -3.077 5.228 -13.299 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -2.829 3.743 -12.402 1.00 0.00 H new ATOM 0 HG CYS A 124 -0.464 6.072 -13.270 1.00 0.00 H new ATOM 1939 N THR A 125 -0.257 2.597 -15.440 1.00 0.00 N ATOM 1940 CA THR A 125 1.101 2.096 -15.330 1.00 0.00 C ATOM 1941 C THR A 125 1.861 2.989 -14.341 1.00 0.00 C ATOM 1942 O THR A 125 1.584 4.192 -14.306 1.00 0.00 O ATOM 1943 CB THR A 125 1.717 2.187 -16.733 1.00 0.00 C ATOM 1944 OG1 THR A 125 1.424 3.462 -17.277 1.00 0.00 O ATOM 1945 CG2 THR A 125 1.105 1.141 -17.670 1.00 0.00 C ATOM 0 H THR A 125 -0.504 2.925 -16.374 1.00 0.00 H new ATOM 0 HA THR A 125 1.141 1.068 -14.970 1.00 0.00 H new ATOM 0 HB THR A 125 2.790 2.019 -16.646 1.00 0.00 H new ATOM 0 HG1 THR A 125 1.814 3.533 -18.173 1.00 0.00 H new ATOM 0 HG21 THR A 125 1.559 1.227 -18.657 1.00 0.00 H new ATOM 0 HG22 THR A 125 1.289 0.143 -17.272 1.00 0.00 H new ATOM 0 HG23 THR A 125 0.031 1.307 -17.749 1.00 0.00 H new ATOM 1953 N ARG A 126 2.790 2.433 -13.553 1.00 0.00 N ATOM 1954 CA ARG A 126 3.833 3.190 -12.870 1.00 0.00 C ATOM 1955 C ARG A 126 5.072 2.303 -12.646 1.00 0.00 C ATOM 1956 O ARG A 126 5.004 1.266 -11.989 1.00 0.00 O ATOM 1957 CB ARG A 126 3.313 3.830 -11.567 1.00 0.00 C ATOM 1958 CG ARG A 126 2.690 2.831 -10.581 1.00 0.00 C ATOM 1959 CD ARG A 126 2.558 3.397 -9.162 1.00 0.00 C ATOM 1960 NE ARG A 126 1.412 4.300 -8.998 1.00 0.00 N ATOM 1961 CZ ARG A 126 0.959 4.721 -7.803 1.00 0.00 C ATOM 1962 NH1 ARG A 126 1.702 4.551 -6.702 1.00 0.00 N ATOM 1963 NH2 ARG A 126 -0.244 5.300 -7.711 1.00 0.00 N ATOM 0 H ARG A 126 2.834 1.430 -13.373 1.00 0.00 H new ATOM 0 HA ARG A 126 4.136 4.020 -13.508 1.00 0.00 H new ATOM 0 HB2 ARG A 126 4.138 4.344 -11.074 1.00 0.00 H new ATOM 0 HB3 ARG A 126 2.570 4.587 -11.818 1.00 0.00 H new ATOM 0 HG2 ARG A 126 1.705 2.538 -10.943 1.00 0.00 H new ATOM 0 HG3 ARG A 126 3.301 1.929 -10.551 1.00 0.00 H new ATOM 0 HD2 ARG A 126 2.464 2.571 -8.457 1.00 0.00 H new ATOM 0 HD3 ARG A 126 3.472 3.932 -8.906 1.00 0.00 H new ATOM 0 HE ARG A 126 0.932 4.626 -9.837 1.00 0.00 H new ATOM 0 HH11 ARG A 126 2.615 4.101 -6.767 1.00 0.00 H new ATOM 0 HH12 ARG A 126 1.355 4.872 -5.798 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -0.817 5.422 -8.546 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -0.588 5.619 -6.806 1.00 0.00 H new ATOM 1977 N THR A 127 6.221 2.684 -13.200 1.00 0.00 N ATOM 1978 CA THR A 127 7.469 1.978 -12.964 1.00 0.00 C ATOM 1979 C THR A 127 8.210 2.631 -11.783 1.00 0.00 C ATOM 1980 O THR A 127 8.898 3.644 -11.938 1.00 0.00 O ATOM 1981 CB THR A 127 8.259 1.865 -14.279 1.00 0.00 C ATOM 1982 OG1 THR A 127 8.599 3.120 -14.830 1.00 0.00 O ATOM 1983 CG2 THR A 127 7.464 1.101 -15.342 1.00 0.00 C ATOM 0 H THR A 127 6.309 3.488 -13.822 1.00 0.00 H new ATOM 0 HA THR A 127 7.301 0.946 -12.655 1.00 0.00 H new ATOM 0 HB THR A 127 9.172 1.331 -14.015 1.00 0.00 H new ATOM 0 HG1 THR A 127 7.867 3.436 -15.400 1.00 0.00 H new ATOM 0 HG21 THR A 127 8.050 1.038 -16.259 1.00 0.00 H new ATOM 0 HG22 THR A 127 7.246 0.096 -14.981 1.00 0.00 H new ATOM 0 HG23 THR A 127 6.529 1.624 -15.543 1.00 0.00 H new ATOM 1991 N TYR A 128 8.058 2.056 -10.585 1.00 0.00 N ATOM 1992 CA TYR A 128 8.803 2.452 -9.391 1.00 0.00 C ATOM 1993 C TYR A 128 10.283 2.092 -9.565 1.00 0.00 C ATOM 1994 O TYR A 128 10.631 1.291 -10.432 1.00 0.00 O ATOM 1995 CB TYR A 128 8.231 1.737 -8.153 1.00 0.00 C ATOM 1996 CG TYR A 128 7.199 2.502 -7.350 1.00 0.00 C ATOM 1997 CD1 TYR A 128 5.830 2.302 -7.597 1.00 0.00 C ATOM 1998 CD2 TYR A 128 7.599 3.225 -6.212 1.00 0.00 C ATOM 1999 CE1 TYR A 128 4.877 2.787 -6.684 1.00 0.00 C ATOM 2000 CE2 TYR A 128 6.641 3.807 -5.364 1.00 0.00 C ATOM 2001 CZ TYR A 128 5.279 3.555 -5.583 1.00 0.00 C ATOM 2002 OH TYR A 128 4.332 4.016 -4.716 1.00 0.00 O ATOM 0 H TYR A 128 7.404 1.292 -10.418 1.00 0.00 H new ATOM 0 HA TYR A 128 8.709 3.529 -9.251 1.00 0.00 H new ATOM 0 HB2 TYR A 128 7.784 0.798 -8.477 1.00 0.00 H new ATOM 0 HB3 TYR A 128 9.060 1.484 -7.492 1.00 0.00 H new ATOM 0 HD1 TYR A 128 5.511 1.777 -8.485 1.00 0.00 H new ATOM 0 HD2 TYR A 128 8.650 3.334 -5.988 1.00 0.00 H new ATOM 0 HE1 TYR A 128 3.830 2.567 -6.832 1.00 0.00 H new ATOM 0 HE2 TYR A 128 6.952 4.444 -4.549 1.00 0.00 H new ATOM 0 HH TYR A 128 4.665 3.941 -3.797 1.00 0.00 H new ATOM 2012 N GLU A 129 11.155 2.659 -8.726 1.00 0.00 N ATOM 2013 CA GLU A 129 12.596 2.437 -8.787 1.00 0.00 C ATOM 2014 C GLU A 129 13.160 2.339 -7.370 1.00 0.00 C ATOM 2015 O GLU A 129 12.704 3.062 -6.483 1.00 0.00 O ATOM 2016 CB GLU A 129 13.206 3.604 -9.557 1.00 0.00 C ATOM 2017 CG GLU A 129 14.675 3.427 -9.936 1.00 0.00 C ATOM 2018 CD GLU A 129 15.105 4.641 -10.745 1.00 0.00 C ATOM 2019 OE1 GLU A 129 14.728 4.680 -11.936 1.00 0.00 O ATOM 2020 OE2 GLU A 129 15.718 5.539 -10.130 1.00 0.00 O ATOM 0 H GLU A 129 10.873 3.292 -7.978 1.00 0.00 H new ATOM 0 HA GLU A 129 12.835 1.503 -9.295 1.00 0.00 H new ATOM 0 HB2 GLU A 129 12.628 3.762 -10.467 1.00 0.00 H new ATOM 0 HB3 GLU A 129 13.107 4.508 -8.956 1.00 0.00 H new ATOM 0 HG2 GLU A 129 15.290 3.329 -9.041 1.00 0.00 H new ATOM 0 HG3 GLU A 129 14.811 2.515 -10.517 1.00 0.00 H new ATOM 2027 N LYS A 130 14.106 1.420 -7.140 1.00 0.00 N ATOM 2028 CA LYS A 130 14.632 1.127 -5.811 1.00 0.00 C ATOM 2029 C LYS A 130 15.535 2.278 -5.367 1.00 0.00 C ATOM 2030 O LYS A 130 16.628 2.435 -5.903 1.00 0.00 O ATOM 2031 CB LYS A 130 15.375 -0.228 -5.809 1.00 0.00 C ATOM 2032 CG LYS A 130 15.257 -0.931 -4.446 1.00 0.00 C ATOM 2033 CD LYS A 130 15.769 -2.386 -4.481 1.00 0.00 C ATOM 2034 CE LYS A 130 15.370 -3.094 -3.174 1.00 0.00 C ATOM 2035 NZ LYS A 130 15.695 -4.539 -3.113 1.00 0.00 N ATOM 0 H LYS A 130 14.528 0.858 -7.879 1.00 0.00 H new ATOM 0 HA LYS A 130 13.813 1.038 -5.097 1.00 0.00 H new ATOM 0 HB2 LYS A 130 14.965 -0.871 -6.588 1.00 0.00 H new ATOM 0 HB3 LYS A 130 16.426 -0.068 -6.048 1.00 0.00 H new ATOM 0 HG2 LYS A 130 15.822 -0.369 -3.702 1.00 0.00 H new ATOM 0 HG3 LYS A 130 14.215 -0.924 -4.127 1.00 0.00 H new ATOM 0 HD2 LYS A 130 15.347 -2.912 -5.337 1.00 0.00 H new ATOM 0 HD3 LYS A 130 16.852 -2.400 -4.600 1.00 0.00 H new ATOM 0 HE2 LYS A 130 15.864 -2.592 -2.342 1.00 0.00 H new ATOM 0 HE3 LYS A 130 14.297 -2.973 -3.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 15.482 -4.903 -2.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 15.126 -5.053 -3.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 16.705 -4.677 -3.318 1.00 0.00 H new ATOM 2049 N GLN A 131 15.091 3.077 -4.393 1.00 0.00 N ATOM 2050 CA GLN A 131 15.899 4.170 -3.865 1.00 0.00 C ATOM 2051 C GLN A 131 16.748 3.696 -2.685 1.00 0.00 C ATOM 2052 O GLN A 131 17.809 4.260 -2.430 1.00 0.00 O ATOM 2053 CB GLN A 131 15.034 5.394 -3.527 1.00 0.00 C ATOM 2054 CG GLN A 131 14.074 5.188 -2.348 1.00 0.00 C ATOM 2055 CD GLN A 131 13.271 6.447 -2.037 1.00 0.00 C ATOM 2056 OE1 GLN A 131 12.046 6.424 -2.014 1.00 0.00 O ATOM 2057 NE2 GLN A 131 13.950 7.569 -1.811 1.00 0.00 N ATOM 0 H GLN A 131 14.174 2.984 -3.956 1.00 0.00 H new ATOM 0 HA GLN A 131 16.592 4.494 -4.641 1.00 0.00 H new ATOM 0 HB2 GLN A 131 15.689 6.236 -3.303 1.00 0.00 H new ATOM 0 HB3 GLN A 131 14.454 5.668 -4.408 1.00 0.00 H new ATOM 0 HG2 GLN A 131 13.391 4.370 -2.576 1.00 0.00 H new ATOM 0 HG3 GLN A 131 14.642 4.893 -1.466 1.00 0.00 H new ATOM 0 HE21 GLN A 131 14.970 7.562 -1.836 1.00 0.00 H new ATOM 0 HE22 GLN A 131 13.451 8.436 -1.613 1.00 0.00 H new ATOM 2066 N ALA A 132 16.280 2.673 -1.957 1.00 0.00 N ATOM 2067 CA ALA A 132 16.941 2.180 -0.752 1.00 0.00 C ATOM 2068 C ALA A 132 17.247 3.328 0.215 1.00 0.00 C ATOM 2069 O ALA A 132 16.412 4.210 0.408 1.00 0.00 O ATOM 2070 CB ALA A 132 18.202 1.390 -1.120 1.00 0.00 C ATOM 2071 OXT ALA A 132 18.460 3.372 0.871 1.00 0.00 O ATOM 0 H ALA A 132 15.428 2.165 -2.193 1.00 0.00 H new ATOM 0 HA ALA A 132 16.263 1.500 -0.236 1.00 0.00 H new ATOM 0 HB1 ALA A 132 18.683 1.029 -0.211 1.00 0.00 H new ATOM 0 HB2 ALA A 132 17.930 0.542 -1.748 1.00 0.00 H new ATOM 0 HB3 ALA A 132 18.891 2.037 -1.663 1.00 0.00 H new