USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 789 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 52 ASN : amide:sc= 0.181 K(o=2.2,f=-1.4!) USER MOD Set 1.2: A 67 TYR OH : rot -122:sc= 1.12 USER MOD Set 1.3: A 78 THR OG1 : rot -176:sc= 0.86 USER MOD Set 2.1: A 8 LYS NZ :NH3+ -168:sc= 1.15 (180deg=-0.022) USER MOD Set 2.2: A 12 GLN : amide:sc= 1.11 K(o=2.3,f=-12!) USER MOD Single : A 1 GLY N :NH3+ -178:sc= -2.66 (180deg=-2.71) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 165:sc= -0.421 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 0.172 K(o=0.17,f=-5!) USER MOD Single : A 19 THR OG1 : rot 8:sc= 0.757 USER MOD Single : A 28 THR OG1 : rot 28:sc= 0.431 USER MOD Single : A 31 ASN : amide:sc= -3.04 K(o=-3,f=-1.5) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -89:sc= 1.83 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 47 THR OG1 : rot 116:sc= 1.03 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.394 USER MOD Single : A 49 THR OG1 : rot -90:sc= 0.652 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.22 X(o=-0.22,f=-0.22) USER MOD Single : A 55 LYS NZ :NH3+ -167:sc= 1.17 (180deg=1.05) USER MOD Single : A 58 THR OG1 : rot 180:sc=-0.00523 USER MOD Single : A 60 LYS NZ :NH3+ 125:sc= 1.15 (180deg=0.452) USER MOD Single : A 63 THR OG1 : rot -160:sc= 0.0142 USER MOD Single : A 65 MET CE :methyl 176:sc= 0 (180deg=-0.0429) USER MOD Single : A 70 ASN : amide:sc= -0.15 K(o=-0.15,f=-2.3) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -160:sc= 1.07 (180deg=0.506) USER MOD Single : A 74 TYR OH : rot 30:sc= -0.321 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= -0.343 (180deg=-0.343) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 97 TYR OH : rot 130:sc= -0.0673 USER MOD Single : A 99 LYS NZ :NH3+ -165:sc= -0.0513 (180deg=-0.41) USER MOD Single : A 100 LYS NZ :NH3+ -116:sc= 0.54 (180deg=-1.6!) USER MOD Single : A 102 THR OG1 : rot -36:sc= 1.12 USER MOD Single : A 103 ASN : amide:sc= 0.805 K(o=0.8,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.306 9.658 4.558 1.00 0.00 N ATOM 2 CA GLY A 1 -11.419 10.017 5.659 1.00 0.00 C ATOM 3 C GLY A 1 -10.964 11.420 5.271 1.00 0.00 C ATOM 4 O GLY A 1 -11.791 12.113 4.677 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.711 8.716 4.732 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.073 10.357 4.488 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.767 9.644 3.669 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.938 10.009 6.618 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.579 9.327 5.745 1.00 0.00 H new ATOM 10 N ASP A 2 -9.710 11.797 5.489 1.00 0.00 N ATOM 11 CA ASP A 2 -9.194 13.118 5.172 1.00 0.00 C ATOM 12 C ASP A 2 -7.967 12.955 4.277 1.00 0.00 C ATOM 13 O ASP A 2 -8.108 12.671 3.090 1.00 0.00 O ATOM 14 CB ASP A 2 -8.893 13.869 6.479 1.00 0.00 C ATOM 15 CG ASP A 2 -10.164 14.249 7.224 1.00 0.00 C ATOM 16 OD1 ASP A 2 -10.706 15.324 6.897 1.00 0.00 O ATOM 17 OD2 ASP A 2 -10.554 13.468 8.121 1.00 0.00 O ATOM 0 H ASP A 2 -9.011 11.178 5.900 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.924 13.715 4.625 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.270 13.246 7.120 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.321 14.769 6.256 1.00 0.00 H new ATOM 22 N VAL A 3 -6.774 13.148 4.845 1.00 0.00 N ATOM 23 CA VAL A 3 -5.473 13.089 4.194 1.00 0.00 C ATOM 24 C VAL A 3 -4.381 13.165 5.269 1.00 0.00 C ATOM 25 O VAL A 3 -3.458 12.353 5.308 1.00 0.00 O ATOM 26 CB VAL A 3 -5.367 14.205 3.134 1.00 0.00 C ATOM 27 CG1 VAL A 3 -5.410 15.636 3.687 1.00 0.00 C ATOM 28 CG2 VAL A 3 -4.117 14.033 2.271 1.00 0.00 C ATOM 0 H VAL A 3 -6.691 13.364 5.838 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.342 12.147 3.661 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.267 14.084 2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.329 16.347 2.864 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.352 15.795 4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.580 15.784 4.378 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.071 14.835 1.534 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.230 14.070 2.904 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.158 13.071 1.759 1.00 0.00 H new ATOM 38 N GLU A 4 -4.533 14.134 6.178 1.00 0.00 N ATOM 39 CA GLU A 4 -3.677 14.336 7.336 1.00 0.00 C ATOM 40 C GLU A 4 -3.817 13.120 8.243 1.00 0.00 C ATOM 41 O GLU A 4 -2.840 12.456 8.588 1.00 0.00 O ATOM 42 CB GLU A 4 -4.126 15.606 8.077 1.00 0.00 C ATOM 43 CG GLU A 4 -3.749 16.890 7.329 1.00 0.00 C ATOM 44 CD GLU A 4 -2.369 17.386 7.741 1.00 0.00 C ATOM 45 OE1 GLU A 4 -1.384 16.847 7.193 1.00 0.00 O ATOM 46 OE2 GLU A 4 -2.320 18.266 8.624 1.00 0.00 O ATOM 0 H GLU A 4 -5.285 14.820 6.119 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.636 14.455 7.035 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.206 15.577 8.219 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.675 15.622 9.069 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.766 16.706 6.255 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.491 17.663 7.532 1.00 0.00 H new ATOM 53 N LYS A 5 -5.062 12.815 8.608 1.00 0.00 N ATOM 54 CA LYS A 5 -5.338 11.630 9.391 1.00 0.00 C ATOM 55 C LYS A 5 -4.883 10.390 8.631 1.00 0.00 C ATOM 56 O LYS A 5 -4.233 9.548 9.235 1.00 0.00 O ATOM 57 CB LYS A 5 -6.790 11.600 9.868 1.00 0.00 C ATOM 58 CG LYS A 5 -6.995 12.662 10.955 1.00 0.00 C ATOM 59 CD LYS A 5 -8.357 12.477 11.630 1.00 0.00 C ATOM 60 CE LYS A 5 -8.433 13.367 12.878 1.00 0.00 C ATOM 61 NZ LYS A 5 -9.735 13.249 13.563 1.00 0.00 N ATOM 0 H LYS A 5 -5.883 13.372 8.372 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.755 11.648 10.312 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.463 11.787 9.031 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.035 10.612 10.259 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.201 12.590 11.698 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.931 13.658 10.516 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.157 12.736 10.936 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.500 11.432 11.906 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.634 13.093 13.568 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.266 14.406 12.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.744 13.866 14.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.496 13.535 12.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.884 12.263 13.858 1.00 0.00 H new ATOM 75 N GLY A 6 -5.092 10.317 7.312 1.00 0.00 N ATOM 76 CA GLY A 6 -4.588 9.200 6.523 1.00 0.00 C ATOM 77 C GLY A 6 -3.095 9.003 6.765 1.00 0.00 C ATOM 78 O GLY A 6 -2.667 7.922 7.163 1.00 0.00 O ATOM 0 H GLY A 6 -5.605 11.017 6.775 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -5.128 8.290 6.785 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.769 9.385 5.464 1.00 0.00 H new ATOM 82 N LYS A 7 -2.294 10.051 6.561 1.00 0.00 N ATOM 83 CA LYS A 7 -0.848 9.934 6.679 1.00 0.00 C ATOM 84 C LYS A 7 -0.397 9.630 8.104 1.00 0.00 C ATOM 85 O LYS A 7 0.548 8.869 8.318 1.00 0.00 O ATOM 86 CB LYS A 7 -0.135 11.088 5.972 1.00 0.00 C ATOM 87 CG LYS A 7 0.118 12.308 6.836 1.00 0.00 C ATOM 88 CD LYS A 7 0.313 13.522 5.915 1.00 0.00 C ATOM 89 CE LYS A 7 0.596 14.820 6.679 1.00 0.00 C ATOM 90 NZ LYS A 7 2.011 14.978 7.060 1.00 0.00 N ATOM 0 H LYS A 7 -2.625 10.984 6.315 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.525 9.047 6.133 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.820 10.727 5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.729 11.389 5.109 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.721 12.475 7.511 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.001 12.157 7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.139 13.323 5.232 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.581 13.654 5.305 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.296 15.668 6.063 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.020 14.845 7.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.134 15.874 7.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.296 14.187 7.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.602 14.984 6.204 1.00 0.00 H new ATOM 104 N LYS A 8 -1.104 10.196 9.079 1.00 0.00 N ATOM 105 CA LYS A 8 -0.767 10.037 10.480 1.00 0.00 C ATOM 106 C LYS A 8 -1.010 8.588 10.902 1.00 0.00 C ATOM 107 O LYS A 8 -0.175 7.968 11.563 1.00 0.00 O ATOM 108 CB LYS A 8 -1.623 11.011 11.303 1.00 0.00 C ATOM 109 CG LYS A 8 -1.245 11.101 12.788 1.00 0.00 C ATOM 110 CD LYS A 8 0.107 11.802 13.006 1.00 0.00 C ATOM 111 CE LYS A 8 1.278 10.844 13.283 1.00 0.00 C ATOM 112 NZ LYS A 8 1.165 10.187 14.600 1.00 0.00 N ATOM 0 H LYS A 8 -1.926 10.777 8.914 1.00 0.00 H new ATOM 0 HA LYS A 8 0.285 10.263 10.651 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.544 12.004 10.861 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.668 10.710 11.226 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.023 11.642 13.326 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.204 10.097 13.211 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.341 12.398 12.124 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.013 12.495 13.842 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.315 10.084 12.502 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.216 11.397 13.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.062 9.715 14.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.952 10.900 15.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.400 9.483 14.572 1.00 0.00 H new ATOM 126 N ILE A 9 -2.178 8.070 10.526 1.00 0.00 N ATOM 127 CA ILE A 9 -2.654 6.757 10.895 1.00 0.00 C ATOM 128 C ILE A 9 -1.797 5.736 10.163 1.00 0.00 C ATOM 129 O ILE A 9 -1.303 4.796 10.779 1.00 0.00 O ATOM 130 CB ILE A 9 -4.144 6.679 10.535 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.957 7.522 11.536 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.650 5.238 10.551 1.00 0.00 C ATOM 133 CD1 ILE A 9 -6.421 7.687 11.119 1.00 0.00 C ATOM 0 H ILE A 9 -2.835 8.579 9.935 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.569 6.552 11.962 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.270 7.069 9.525 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.914 7.052 12.519 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.498 8.506 11.633 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.709 5.221 10.292 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.089 4.647 9.826 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.514 4.816 11.547 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.945 8.289 11.861 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.469 8.183 10.149 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.892 6.707 11.049 1.00 0.00 H new ATOM 145 N PHE A 10 -1.605 5.949 8.858 1.00 0.00 N ATOM 146 CA PHE A 10 -0.677 5.188 8.045 1.00 0.00 C ATOM 147 C PHE A 10 0.639 5.031 8.792 1.00 0.00 C ATOM 148 O PHE A 10 0.989 3.928 9.188 1.00 0.00 O ATOM 149 CB PHE A 10 -0.474 5.910 6.702 1.00 0.00 C ATOM 150 CG PHE A 10 0.694 5.420 5.874 1.00 0.00 C ATOM 151 CD1 PHE A 10 0.541 4.295 5.057 1.00 0.00 C ATOM 152 CD2 PHE A 10 1.975 5.964 6.059 1.00 0.00 C ATOM 153 CE1 PHE A 10 1.667 3.681 4.493 1.00 0.00 C ATOM 154 CE2 PHE A 10 3.105 5.329 5.533 1.00 0.00 C ATOM 155 CZ PHE A 10 2.949 4.186 4.742 1.00 0.00 C ATOM 0 H PHE A 10 -2.103 6.670 8.336 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.075 4.193 7.845 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.385 5.807 6.112 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.339 6.974 6.897 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.445 3.900 4.861 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.089 6.883 6.614 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.545 2.813 3.862 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.091 5.719 5.736 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.815 3.694 4.324 1.00 0.00 H new ATOM 165 N VAL A 11 1.359 6.124 9.034 1.00 0.00 N ATOM 166 CA VAL A 11 2.648 6.039 9.691 1.00 0.00 C ATOM 167 C VAL A 11 2.546 5.281 11.025 1.00 0.00 C ATOM 168 O VAL A 11 3.436 4.503 11.359 1.00 0.00 O ATOM 169 CB VAL A 11 3.270 7.449 9.786 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.185 7.614 11.000 1.00 0.00 C ATOM 171 CG2 VAL A 11 4.033 7.845 8.509 1.00 0.00 C ATOM 0 H VAL A 11 1.069 7.070 8.785 1.00 0.00 H new ATOM 0 HA VAL A 11 3.339 5.441 9.097 1.00 0.00 H new ATOM 0 HB VAL A 11 2.421 8.122 9.905 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.593 8.625 11.014 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.614 7.441 11.912 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.001 6.894 10.941 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.450 8.845 8.630 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.840 7.134 8.332 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.350 7.837 7.660 1.00 0.00 H new ATOM 181 N GLN A 12 1.452 5.457 11.774 1.00 0.00 N ATOM 182 CA GLN A 12 1.237 4.759 13.032 1.00 0.00 C ATOM 183 C GLN A 12 1.151 3.226 12.925 1.00 0.00 C ATOM 184 O GLN A 12 1.339 2.576 13.951 1.00 0.00 O ATOM 185 CB GLN A 12 0.009 5.351 13.744 1.00 0.00 C ATOM 186 CG GLN A 12 0.440 6.241 14.912 1.00 0.00 C ATOM 187 CD GLN A 12 -0.700 7.129 15.392 1.00 0.00 C ATOM 188 OE1 GLN A 12 -0.679 8.338 15.166 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.692 6.555 16.066 1.00 0.00 N ATOM 0 H GLN A 12 0.694 6.090 11.519 1.00 0.00 H new ATOM 0 HA GLN A 12 2.133 4.925 13.630 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.583 5.932 13.037 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.629 4.546 14.109 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.788 5.618 15.736 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.281 6.862 14.605 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.678 5.549 16.236 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.467 7.120 16.413 1.00 0.00 H new ATOM 198 N LYS A 13 0.835 2.634 11.762 1.00 0.00 N ATOM 199 CA LYS A 13 0.749 1.169 11.644 1.00 0.00 C ATOM 200 C LYS A 13 1.282 0.553 10.343 1.00 0.00 C ATOM 201 O LYS A 13 1.288 -0.669 10.206 1.00 0.00 O ATOM 202 CB LYS A 13 -0.678 0.691 11.932 1.00 0.00 C ATOM 203 CG LYS A 13 -1.757 1.373 11.087 1.00 0.00 C ATOM 204 CD LYS A 13 -2.551 2.372 11.933 1.00 0.00 C ATOM 205 CE LYS A 13 -3.525 1.689 12.906 1.00 0.00 C ATOM 206 NZ LYS A 13 -4.368 2.666 13.628 1.00 0.00 N ATOM 0 H LYS A 13 0.637 3.140 10.899 1.00 0.00 H new ATOM 0 HA LYS A 13 1.438 0.800 12.404 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.728 -0.385 11.764 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.899 0.860 12.986 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.296 1.888 10.244 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.430 0.623 10.673 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.857 2.994 12.498 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.110 3.036 11.273 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.163 0.999 12.354 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.961 1.096 13.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.009 2.162 14.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.762 3.310 14.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.927 3.215 12.944 1.00 0.00 H new ATOM 220 N CYS A 14 1.719 1.366 9.387 1.00 0.00 N ATOM 221 CA CYS A 14 2.144 0.921 8.067 1.00 0.00 C ATOM 222 C CYS A 14 3.654 1.124 7.971 1.00 0.00 C ATOM 223 O CYS A 14 4.373 0.215 7.574 1.00 0.00 O ATOM 224 CB CYS A 14 1.447 1.697 6.975 1.00 0.00 C ATOM 225 SG CYS A 14 -0.377 1.686 6.992 1.00 0.00 S ATOM 0 H CYS A 14 1.789 2.376 9.513 1.00 0.00 H new ATOM 0 HA CYS A 14 1.884 -0.129 7.934 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.781 2.733 7.029 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.780 1.305 6.014 1.00 0.00 H new ATOM 0 HG CYS A 14 -0.824 2.630 6.219 1.00 0.00 H new ATOM 230 N ALA A 15 4.140 2.311 8.353 1.00 0.00 N ATOM 231 CA ALA A 15 5.522 2.745 8.162 1.00 0.00 C ATOM 232 C ALA A 15 6.586 1.833 8.758 1.00 0.00 C ATOM 233 O ALA A 15 7.688 1.748 8.216 1.00 0.00 O ATOM 234 CB ALA A 15 5.700 4.153 8.694 1.00 0.00 C ATOM 0 H ALA A 15 3.563 3.013 8.816 1.00 0.00 H new ATOM 0 HA ALA A 15 5.682 2.704 7.085 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.733 4.469 8.548 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.034 4.831 8.160 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.461 4.173 9.757 1.00 0.00 H new ATOM 240 N GLN A 16 6.255 1.150 9.856 1.00 0.00 N ATOM 241 CA GLN A 16 7.044 0.070 10.435 1.00 0.00 C ATOM 242 C GLN A 16 7.610 -0.864 9.354 1.00 0.00 C ATOM 243 O GLN A 16 8.744 -1.344 9.463 1.00 0.00 O ATOM 244 CB GLN A 16 6.158 -0.680 11.441 1.00 0.00 C ATOM 245 CG GLN A 16 4.915 -1.317 10.796 1.00 0.00 C ATOM 246 CD GLN A 16 3.914 -1.809 11.834 1.00 0.00 C ATOM 247 OE1 GLN A 16 3.536 -1.074 12.740 1.00 0.00 O ATOM 248 NE2 GLN A 16 3.467 -3.055 11.713 1.00 0.00 N ATOM 0 H GLN A 16 5.402 1.343 10.381 1.00 0.00 H new ATOM 0 HA GLN A 16 7.912 0.481 10.951 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.748 -1.459 11.925 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.841 0.011 12.222 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.432 -0.588 10.145 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.222 -2.152 10.166 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.799 -3.644 10.949 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.792 -3.422 12.384 1.00 0.00 H new ATOM 257 N CYS A 17 6.802 -1.102 8.320 1.00 0.00 N ATOM 258 CA CYS A 17 7.156 -1.792 7.099 1.00 0.00 C ATOM 259 C CYS A 17 7.480 -0.760 5.994 1.00 0.00 C ATOM 260 O CYS A 17 8.512 -0.889 5.344 1.00 0.00 O ATOM 261 CB CYS A 17 6.047 -2.754 6.730 1.00 0.00 C ATOM 262 SG CYS A 17 5.838 -4.083 7.973 1.00 0.00 S ATOM 0 H CYS A 17 5.829 -0.797 8.322 1.00 0.00 H new ATOM 0 HA CYS A 17 8.058 -2.390 7.233 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.111 -2.204 6.628 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.263 -3.199 5.759 1.00 0.00 H new ATOM 0 HG CYS A 17 4.874 -4.874 7.605 1.00 0.00 H new ATOM 267 N HIS A 18 6.647 0.277 5.792 1.00 0.00 N ATOM 268 CA HIS A 18 6.675 1.165 4.624 1.00 0.00 C ATOM 269 C HIS A 18 7.042 2.607 4.971 1.00 0.00 C ATOM 270 O HIS A 18 6.189 3.493 4.923 1.00 0.00 O ATOM 271 CB HIS A 18 5.280 1.198 3.994 1.00 0.00 C ATOM 272 CG HIS A 18 4.856 -0.090 3.377 1.00 0.00 C ATOM 273 ND1 HIS A 18 5.155 -0.485 2.097 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.847 -0.880 3.847 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.363 -1.529 1.819 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.554 -1.816 2.849 1.00 0.00 N ATOM 0 H HIS A 18 5.916 0.524 6.459 1.00 0.00 H new ATOM 0 HA HIS A 18 7.435 0.768 3.951 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.555 1.477 4.759 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.256 1.978 3.233 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.847 -0.065 1.477 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.365 -0.798 4.810 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.375 -2.070 0.885 1.00 0.00 H new ATOM 284 N THR A 19 8.294 2.905 5.293 1.00 0.00 N ATOM 285 CA THR A 19 8.682 4.278 5.574 1.00 0.00 C ATOM 286 C THR A 19 8.817 5.068 4.258 1.00 0.00 C ATOM 287 O THR A 19 9.923 5.234 3.751 1.00 0.00 O ATOM 288 CB THR A 19 9.956 4.247 6.424 1.00 0.00 C ATOM 289 OG1 THR A 19 9.746 3.489 7.604 1.00 0.00 O ATOM 290 CG2 THR A 19 10.407 5.644 6.853 1.00 0.00 C ATOM 0 H THR A 19 9.049 2.223 5.365 1.00 0.00 H new ATOM 0 HA THR A 19 7.920 4.805 6.149 1.00 0.00 H new ATOM 0 HB THR A 19 10.726 3.798 5.797 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.875 3.042 7.555 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.314 5.565 7.453 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.608 6.249 5.969 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.621 6.115 7.444 1.00 0.00 H new ATOM 298 N VAL A 20 7.676 5.526 3.717 1.00 0.00 N ATOM 299 CA VAL A 20 7.445 6.377 2.539 1.00 0.00 C ATOM 300 C VAL A 20 8.241 7.701 2.463 1.00 0.00 C ATOM 301 O VAL A 20 7.681 8.715 2.055 1.00 0.00 O ATOM 302 CB VAL A 20 5.928 6.678 2.457 1.00 0.00 C ATOM 303 CG1 VAL A 20 5.107 5.416 2.201 1.00 0.00 C ATOM 304 CG2 VAL A 20 5.401 7.377 3.719 1.00 0.00 C ATOM 0 H VAL A 20 6.786 5.278 4.149 1.00 0.00 H new ATOM 0 HA VAL A 20 7.819 5.804 1.691 1.00 0.00 H new ATOM 0 HB VAL A 20 5.810 7.355 1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.049 5.674 2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.416 4.966 1.257 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.269 4.706 3.012 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.333 7.566 3.611 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.571 6.739 4.586 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.925 8.323 3.856 1.00 0.00 H new ATOM 426 N THR A 28 10.574 -5.578 3.832 1.00 0.00 N ATOM 427 CA THR A 28 9.249 -6.159 4.077 1.00 0.00 C ATOM 428 C THR A 28 8.142 -5.119 3.857 1.00 0.00 C ATOM 429 O THR A 28 7.078 -5.245 4.443 1.00 0.00 O ATOM 430 CB THR A 28 9.135 -6.787 5.493 1.00 0.00 C ATOM 431 OG1 THR A 28 10.380 -7.305 5.915 1.00 0.00 O ATOM 432 CG2 THR A 28 8.108 -7.921 5.590 1.00 0.00 C ATOM 0 HA THR A 28 9.119 -6.964 3.354 1.00 0.00 H new ATOM 0 HB THR A 28 8.804 -5.969 6.133 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.105 -6.807 5.483 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.088 -8.307 6.609 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.121 -7.542 5.326 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.384 -8.722 4.904 1.00 0.00 H new ATOM 440 N GLY A 29 8.347 -4.111 3.009 1.00 0.00 N ATOM 441 CA GLY A 29 7.337 -3.085 2.792 1.00 0.00 C ATOM 442 C GLY A 29 7.860 -2.025 1.826 1.00 0.00 C ATOM 443 O GLY A 29 8.400 -1.018 2.271 1.00 0.00 O ATOM 0 H GLY A 29 9.201 -3.986 2.465 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.430 -3.537 2.391 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.069 -2.622 3.742 1.00 0.00 H new ATOM 447 N PRO A 30 7.732 -2.217 0.503 1.00 0.00 N ATOM 448 CA PRO A 30 8.311 -1.312 -0.480 1.00 0.00 C ATOM 449 C PRO A 30 7.891 0.120 -0.179 1.00 0.00 C ATOM 450 O PRO A 30 6.698 0.384 -0.041 1.00 0.00 O ATOM 451 CB PRO A 30 7.838 -1.799 -1.851 1.00 0.00 C ATOM 452 CG PRO A 30 6.589 -2.614 -1.528 1.00 0.00 C ATOM 453 CD PRO A 30 6.895 -3.206 -0.150 1.00 0.00 C ATOM 0 HA PRO A 30 9.401 -1.313 -0.454 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.613 -0.966 -2.517 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.597 -2.406 -2.345 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.696 -1.989 -1.507 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.415 -3.393 -2.270 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.980 -3.385 0.415 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.409 -4.163 -0.236 1.00 0.00 H new ATOM 461 N ASN A 31 8.862 1.029 -0.035 1.00 0.00 N ATOM 462 CA ASN A 31 8.574 2.456 0.076 1.00 0.00 C ATOM 463 C ASN A 31 7.555 2.838 -0.999 1.00 0.00 C ATOM 464 O ASN A 31 7.877 2.764 -2.183 1.00 0.00 O ATOM 465 CB ASN A 31 9.861 3.271 -0.111 1.00 0.00 C ATOM 466 CG ASN A 31 9.617 4.777 -0.020 1.00 0.00 C ATOM 467 OD1 ASN A 31 10.080 5.428 0.905 1.00 0.00 O ATOM 468 ND2 ASN A 31 8.900 5.377 -0.963 1.00 0.00 N ATOM 0 H ASN A 31 9.854 0.797 0.007 1.00 0.00 H new ATOM 0 HA ASN A 31 8.168 2.672 1.064 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.587 2.977 0.647 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.299 3.035 -1.081 1.00 0.00 H new ATOM 0 HD21 ASN A 31 8.735 6.382 -0.916 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.514 4.832 -1.734 1.00 0.00 H new ATOM 475 N LEU A 32 6.357 3.274 -0.599 1.00 0.00 N ATOM 476 CA LEU A 32 5.242 3.559 -1.498 1.00 0.00 C ATOM 477 C LEU A 32 5.491 4.868 -2.270 1.00 0.00 C ATOM 478 O LEU A 32 4.761 5.843 -2.113 1.00 0.00 O ATOM 479 CB LEU A 32 3.913 3.601 -0.713 1.00 0.00 C ATOM 480 CG LEU A 32 3.693 2.459 0.296 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.407 2.703 1.092 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.540 1.119 -0.433 1.00 0.00 C ATOM 0 H LEU A 32 6.133 3.441 0.382 1.00 0.00 H new ATOM 0 HA LEU A 32 5.166 2.756 -2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.859 4.549 -0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.090 3.592 -1.428 1.00 0.00 H new ATOM 0 HG LEU A 32 4.557 2.430 0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.260 1.890 1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.486 3.647 1.631 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.559 2.746 0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.385 0.324 0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.683 1.166 -1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.442 0.913 -1.009 1.00 0.00 H new ATOM 494 N HIS A 33 6.545 4.893 -3.091 1.00 0.00 N ATOM 495 CA HIS A 33 7.055 6.091 -3.743 1.00 0.00 C ATOM 496 C HIS A 33 6.120 6.516 -4.870 1.00 0.00 C ATOM 497 O HIS A 33 5.797 7.689 -5.019 1.00 0.00 O ATOM 498 CB HIS A 33 8.461 5.810 -4.297 1.00 0.00 C ATOM 499 CG HIS A 33 9.230 7.065 -4.617 1.00 0.00 C ATOM 500 ND1 HIS A 33 10.108 7.708 -3.774 1.00 0.00 N ATOM 501 CD2 HIS A 33 9.204 7.758 -5.798 1.00 0.00 C ATOM 502 CE1 HIS A 33 10.604 8.764 -4.440 1.00 0.00 C ATOM 503 NE2 HIS A 33 10.090 8.831 -5.678 1.00 0.00 N ATOM 0 H HIS A 33 7.078 4.055 -3.323 1.00 0.00 H new ATOM 0 HA HIS A 33 7.109 6.901 -3.016 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.021 5.223 -3.569 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.376 5.203 -5.198 1.00 0.00 H new ATOM 0 HD2 HIS A 33 8.607 7.518 -6.665 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.319 9.464 -4.034 1.00 0.00 H new ATOM 0 HE2 HIS A 33 10.304 9.528 -6.391 1.00 0.00 H new ATOM 511 N GLY A 34 5.724 5.535 -5.682 1.00 0.00 N ATOM 512 CA GLY A 34 4.831 5.701 -6.808 1.00 0.00 C ATOM 513 C GLY A 34 3.914 4.489 -6.819 1.00 0.00 C ATOM 514 O GLY A 34 4.387 3.371 -7.018 1.00 0.00 O ATOM 0 H GLY A 34 6.033 4.571 -5.561 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.255 6.621 -6.713 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.392 5.771 -7.740 1.00 0.00 H new ATOM 518 N LEU A 35 2.626 4.700 -6.558 1.00 0.00 N ATOM 519 CA LEU A 35 1.602 3.665 -6.580 1.00 0.00 C ATOM 520 C LEU A 35 0.688 3.972 -7.758 1.00 0.00 C ATOM 521 O LEU A 35 0.645 3.236 -8.744 1.00 0.00 O ATOM 522 CB LEU A 35 0.817 3.696 -5.260 1.00 0.00 C ATOM 523 CG LEU A 35 1.339 2.717 -4.200 1.00 0.00 C ATOM 524 CD1 LEU A 35 2.861 2.725 -4.042 1.00 0.00 C ATOM 525 CD2 LEU A 35 0.681 3.098 -2.870 1.00 0.00 C ATOM 0 H LEU A 35 2.259 5.621 -6.319 1.00 0.00 H new ATOM 0 HA LEU A 35 2.037 2.671 -6.687 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.850 4.707 -4.854 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.229 3.469 -5.466 1.00 0.00 H new ATOM 0 HG LEU A 35 1.084 1.706 -4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.151 2.007 -3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.327 2.452 -4.989 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.191 3.722 -3.750 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.027 2.424 -2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.949 4.122 -2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.402 3.020 -2.964 1.00 0.00 H new ATOM 537 N PHE A 36 -0.011 5.098 -7.638 1.00 0.00 N ATOM 538 CA PHE A 36 -1.077 5.524 -8.524 1.00 0.00 C ATOM 539 C PHE A 36 -0.530 5.749 -9.926 1.00 0.00 C ATOM 540 O PHE A 36 0.044 6.800 -10.201 1.00 0.00 O ATOM 541 CB PHE A 36 -1.724 6.781 -7.935 1.00 0.00 C ATOM 542 CG PHE A 36 -2.558 6.488 -6.698 1.00 0.00 C ATOM 543 CD1 PHE A 36 -1.966 6.282 -5.435 1.00 0.00 C ATOM 544 CD2 PHE A 36 -3.929 6.238 -6.858 1.00 0.00 C ATOM 545 CE1 PHE A 36 -2.730 5.794 -4.360 1.00 0.00 C ATOM 546 CE2 PHE A 36 -4.692 5.763 -5.784 1.00 0.00 C ATOM 547 CZ PHE A 36 -4.098 5.525 -4.538 1.00 0.00 C ATOM 0 H PHE A 36 0.162 5.764 -6.885 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.844 4.754 -8.609 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.945 7.500 -7.681 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.355 7.248 -8.691 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.918 6.501 -5.292 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.399 6.413 -7.815 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.266 5.626 -3.399 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.748 5.579 -5.918 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.687 5.138 -3.720 1.00 0.00 H new ATOM 557 N GLY A 37 -0.713 4.760 -10.806 1.00 0.00 N ATOM 558 CA GLY A 37 -0.262 4.840 -12.187 1.00 0.00 C ATOM 559 C GLY A 37 1.018 4.040 -12.426 1.00 0.00 C ATOM 560 O GLY A 37 1.577 4.110 -13.520 1.00 0.00 O ATOM 0 H GLY A 37 -1.179 3.883 -10.575 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.048 4.470 -12.846 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.090 5.884 -12.451 1.00 0.00 H new ATOM 564 N ARG A 38 1.489 3.264 -11.441 1.00 0.00 N ATOM 565 CA ARG A 38 2.682 2.450 -11.580 1.00 0.00 C ATOM 566 C ARG A 38 2.292 1.005 -11.882 1.00 0.00 C ATOM 567 O ARG A 38 1.698 0.328 -11.041 1.00 0.00 O ATOM 568 CB ARG A 38 3.541 2.545 -10.314 1.00 0.00 C ATOM 569 CG ARG A 38 4.966 2.105 -10.671 1.00 0.00 C ATOM 570 CD ARG A 38 5.905 2.090 -9.460 1.00 0.00 C ATOM 571 NE ARG A 38 5.374 1.283 -8.349 1.00 0.00 N ATOM 572 CZ ARG A 38 5.314 -0.057 -8.286 1.00 0.00 C ATOM 573 NH1 ARG A 38 5.745 -0.789 -9.317 1.00 0.00 N ATOM 574 NH2 ARG A 38 4.820 -0.657 -7.203 1.00 0.00 N ATOM 0 H ARG A 38 1.045 3.190 -10.526 1.00 0.00 H new ATOM 0 HA ARG A 38 3.278 2.822 -12.414 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.542 3.565 -9.931 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.132 1.910 -9.528 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.934 1.109 -11.112 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.369 2.776 -11.429 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.875 1.695 -9.761 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.069 3.112 -9.118 1.00 0.00 H new ATOM 0 HE ARG A 38 5.014 1.795 -7.543 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.118 -0.330 -10.148 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.701 -1.807 -9.273 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.486 -0.098 -6.418 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.776 -1.675 -7.159 1.00 0.00 H new ATOM 588 N LYS A 39 2.664 0.524 -13.074 1.00 0.00 N ATOM 589 CA LYS A 39 2.502 -0.868 -13.465 1.00 0.00 C ATOM 590 C LYS A 39 3.037 -1.793 -12.367 1.00 0.00 C ATOM 591 O LYS A 39 4.236 -1.830 -12.080 1.00 0.00 O ATOM 592 CB LYS A 39 3.135 -1.120 -14.843 1.00 0.00 C ATOM 593 CG LYS A 39 4.652 -0.874 -14.904 1.00 0.00 C ATOM 594 CD LYS A 39 5.015 -0.001 -16.112 1.00 0.00 C ATOM 595 CE LYS A 39 6.539 0.164 -16.212 1.00 0.00 C ATOM 596 NZ LYS A 39 6.922 1.188 -17.208 1.00 0.00 N ATOM 0 H LYS A 39 3.090 1.103 -13.798 1.00 0.00 H new ATOM 0 HA LYS A 39 1.442 -1.098 -13.573 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.935 -2.150 -15.138 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.646 -0.478 -15.576 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.983 -0.388 -13.986 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.177 -1.827 -14.968 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.631 -0.455 -17.026 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.542 0.977 -16.018 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.938 0.440 -15.236 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.990 -0.791 -16.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.958 1.267 -17.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.564 0.912 -18.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.514 2.105 -16.937 1.00 0.00 H new ATOM 610 N THR A 40 2.122 -2.482 -11.692 1.00 0.00 N ATOM 611 CA THR A 40 2.410 -3.411 -10.635 1.00 0.00 C ATOM 612 C THR A 40 2.945 -4.709 -11.247 1.00 0.00 C ATOM 613 O THR A 40 3.039 -4.851 -12.464 1.00 0.00 O ATOM 614 CB THR A 40 1.073 -3.589 -9.922 1.00 0.00 C ATOM 615 OG1 THR A 40 0.506 -2.317 -9.633 1.00 0.00 O ATOM 616 CG2 THR A 40 1.136 -4.448 -8.669 1.00 0.00 C ATOM 0 H THR A 40 1.124 -2.396 -11.884 1.00 0.00 H new ATOM 0 HA THR A 40 3.174 -3.078 -9.933 1.00 0.00 H new ATOM 0 HB THR A 40 0.433 -4.139 -10.612 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.820 -2.011 -8.757 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.142 -4.521 -8.227 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.491 -5.445 -8.929 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.820 -3.995 -7.951 1.00 0.00 H new ATOM 624 N GLY A 41 3.310 -5.665 -10.395 1.00 0.00 N ATOM 625 CA GLY A 41 3.868 -6.925 -10.844 1.00 0.00 C ATOM 626 C GLY A 41 5.281 -6.744 -11.404 1.00 0.00 C ATOM 627 O GLY A 41 5.691 -7.467 -12.309 1.00 0.00 O ATOM 0 H GLY A 41 3.225 -5.583 -9.382 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.892 -7.630 -10.013 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.224 -7.357 -11.610 1.00 0.00 H new ATOM 631 N GLN A 42 6.028 -5.777 -10.856 1.00 0.00 N ATOM 632 CA GLN A 42 7.401 -5.495 -11.244 1.00 0.00 C ATOM 633 C GLN A 42 8.199 -5.073 -10.002 1.00 0.00 C ATOM 634 O GLN A 42 8.816 -5.926 -9.375 1.00 0.00 O ATOM 635 CB GLN A 42 7.418 -4.472 -12.397 1.00 0.00 C ATOM 636 CG GLN A 42 8.743 -4.539 -13.169 1.00 0.00 C ATOM 637 CD GLN A 42 8.896 -3.413 -14.193 1.00 0.00 C ATOM 638 OE1 GLN A 42 8.252 -2.371 -14.106 1.00 0.00 O ATOM 639 NE2 GLN A 42 9.768 -3.609 -15.178 1.00 0.00 N ATOM 0 H GLN A 42 5.682 -5.163 -10.119 1.00 0.00 H new ATOM 0 HA GLN A 42 7.895 -6.384 -11.635 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.587 -4.668 -13.075 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.275 -3.467 -11.999 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.572 -4.495 -12.462 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.811 -5.499 -13.680 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.291 -4.483 -15.229 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.913 -2.885 -15.882 1.00 0.00 H new ATOM 648 N ALA A 43 8.126 -3.790 -9.621 1.00 0.00 N ATOM 649 CA ALA A 43 8.810 -3.155 -8.499 1.00 0.00 C ATOM 650 C ALA A 43 10.335 -3.031 -8.677 1.00 0.00 C ATOM 651 O ALA A 43 11.057 -4.027 -8.644 1.00 0.00 O ATOM 652 CB ALA A 43 8.410 -3.803 -7.185 1.00 0.00 C ATOM 0 H ALA A 43 7.543 -3.125 -10.130 1.00 0.00 H new ATOM 0 HA ALA A 43 8.468 -2.120 -8.474 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.933 -3.313 -6.364 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.334 -3.702 -7.042 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.676 -4.860 -7.205 1.00 0.00 H new ATOM 658 N PRO A 44 10.849 -1.804 -8.877 1.00 0.00 N ATOM 659 CA PRO A 44 12.244 -1.578 -9.217 1.00 0.00 C ATOM 660 C PRO A 44 13.149 -1.664 -7.980 1.00 0.00 C ATOM 661 O PRO A 44 13.590 -0.640 -7.463 1.00 0.00 O ATOM 662 CB PRO A 44 12.265 -0.188 -9.867 1.00 0.00 C ATOM 663 CG PRO A 44 11.144 0.550 -9.138 1.00 0.00 C ATOM 664 CD PRO A 44 10.106 -0.550 -8.923 1.00 0.00 C ATOM 0 HA PRO A 44 12.635 -2.339 -9.892 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.227 0.306 -9.732 1.00 0.00 H new ATOM 0 HB3 PRO A 44 12.082 -0.242 -10.940 1.00 0.00 H new ATOM 0 HG2 PRO A 44 11.485 0.975 -8.194 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.746 1.372 -9.733 1.00 0.00 H new ATOM 0 HD2 PRO A 44 9.554 -0.390 -7.997 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.375 -0.560 -9.732 1.00 0.00 H new ATOM 672 N GLY A 45 13.462 -2.882 -7.529 1.00 0.00 N ATOM 673 CA GLY A 45 14.523 -3.102 -6.545 1.00 0.00 C ATOM 674 C GLY A 45 14.278 -4.358 -5.718 1.00 0.00 C ATOM 675 O GLY A 45 15.165 -5.187 -5.537 1.00 0.00 O ATOM 0 H GLY A 45 12.992 -3.735 -7.833 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.482 -3.186 -7.057 1.00 0.00 H new ATOM 0 HA3 GLY A 45 14.589 -2.238 -5.883 1.00 0.00 H new ATOM 679 N PHE A 46 13.052 -4.486 -5.219 1.00 0.00 N ATOM 680 CA PHE A 46 12.533 -5.631 -4.495 1.00 0.00 C ATOM 681 C PHE A 46 11.223 -5.950 -5.193 1.00 0.00 C ATOM 682 O PHE A 46 10.546 -5.017 -5.617 1.00 0.00 O ATOM 683 CB PHE A 46 12.317 -5.229 -3.026 1.00 0.00 C ATOM 684 CG PHE A 46 11.098 -5.803 -2.322 1.00 0.00 C ATOM 685 CD1 PHE A 46 9.854 -5.175 -2.504 1.00 0.00 C ATOM 686 CD2 PHE A 46 11.194 -6.919 -1.469 1.00 0.00 C ATOM 687 CE1 PHE A 46 8.706 -5.691 -1.890 1.00 0.00 C ATOM 688 CE2 PHE A 46 10.041 -7.407 -0.821 1.00 0.00 C ATOM 689 CZ PHE A 46 8.796 -6.801 -1.041 1.00 0.00 C ATOM 0 H PHE A 46 12.357 -3.746 -5.318 1.00 0.00 H new ATOM 0 HA PHE A 46 13.197 -6.495 -4.491 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.202 -5.522 -2.462 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.254 -4.142 -2.979 1.00 0.00 H new ATOM 0 HD1 PHE A 46 9.783 -4.291 -3.120 1.00 0.00 H new ATOM 0 HD2 PHE A 46 12.148 -7.400 -1.312 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.746 -5.230 -2.072 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.117 -8.251 -0.152 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.911 -7.188 -0.558 1.00 0.00 H new ATOM 699 N THR A 47 10.863 -7.227 -5.300 1.00 0.00 N ATOM 700 CA THR A 47 9.524 -7.620 -5.693 1.00 0.00 C ATOM 701 C THR A 47 9.027 -8.685 -4.729 1.00 0.00 C ATOM 702 O THR A 47 9.704 -9.022 -3.755 1.00 0.00 O ATOM 703 CB THR A 47 9.449 -8.015 -7.173 1.00 0.00 C ATOM 704 OG1 THR A 47 8.101 -7.934 -7.608 1.00 0.00 O ATOM 705 CG2 THR A 47 9.988 -9.422 -7.431 1.00 0.00 C ATOM 0 H THR A 47 11.491 -8.009 -5.117 1.00 0.00 H new ATOM 0 HA THR A 47 8.846 -6.770 -5.619 1.00 0.00 H new ATOM 0 HB THR A 47 10.077 -7.322 -7.733 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.021 -7.244 -8.299 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.912 -9.652 -8.494 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.032 -9.474 -7.122 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.405 -10.145 -6.861 1.00 0.00 H new ATOM 713 N TYR A 48 7.817 -9.161 -4.989 1.00 0.00 N ATOM 714 CA TYR A 48 6.969 -9.781 -3.989 1.00 0.00 C ATOM 715 C TYR A 48 6.674 -11.245 -4.333 1.00 0.00 C ATOM 716 O TYR A 48 7.371 -11.846 -5.152 1.00 0.00 O ATOM 717 CB TYR A 48 5.715 -8.908 -3.798 1.00 0.00 C ATOM 718 CG TYR A 48 5.545 -7.705 -4.712 1.00 0.00 C ATOM 719 CD1 TYR A 48 6.238 -6.513 -4.454 1.00 0.00 C ATOM 720 CD2 TYR A 48 4.616 -7.744 -5.759 1.00 0.00 C ATOM 721 CE1 TYR A 48 6.035 -5.381 -5.263 1.00 0.00 C ATOM 722 CE2 TYR A 48 4.428 -6.628 -6.586 1.00 0.00 C ATOM 723 CZ TYR A 48 5.152 -5.453 -6.355 1.00 0.00 C ATOM 724 OH TYR A 48 5.124 -4.480 -7.308 1.00 0.00 O ATOM 0 H TYR A 48 7.394 -9.125 -5.916 1.00 0.00 H new ATOM 0 HA TYR A 48 7.482 -9.829 -3.029 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.840 -9.547 -3.919 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.709 -8.550 -2.768 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.932 -6.464 -3.628 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.040 -8.641 -5.931 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.555 -4.460 -5.046 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.723 -6.675 -7.403 1.00 0.00 H new ATOM 0 HH TYR A 48 4.451 -4.704 -7.984 1.00 0.00 H new ATOM 734 N THR A 49 5.659 -11.824 -3.683 1.00 0.00 N ATOM 735 CA THR A 49 5.142 -13.159 -3.985 1.00 0.00 C ATOM 736 C THR A 49 4.869 -13.324 -5.480 1.00 0.00 C ATOM 737 O THR A 49 4.713 -12.344 -6.192 1.00 0.00 O ATOM 738 CB THR A 49 3.838 -13.388 -3.201 1.00 0.00 C ATOM 739 OG1 THR A 49 2.944 -12.302 -3.412 1.00 0.00 O ATOM 740 CG2 THR A 49 4.154 -13.546 -1.715 1.00 0.00 C ATOM 0 H THR A 49 5.165 -11.367 -2.917 1.00 0.00 H new ATOM 0 HA THR A 49 5.894 -13.892 -3.692 1.00 0.00 H new ATOM 0 HB THR A 49 3.358 -14.300 -3.556 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.098 -11.614 -2.731 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.229 -13.708 -1.162 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.816 -14.400 -1.573 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.642 -12.643 -1.349 1.00 0.00 H new ATOM 748 N ASP A 50 4.734 -14.557 -5.962 1.00 0.00 N ATOM 749 CA ASP A 50 4.128 -14.837 -7.254 1.00 0.00 C ATOM 750 C ASP A 50 2.728 -14.230 -7.297 1.00 0.00 C ATOM 751 O ASP A 50 2.403 -13.543 -8.253 1.00 0.00 O ATOM 752 CB ASP A 50 4.097 -16.357 -7.477 1.00 0.00 C ATOM 753 CG ASP A 50 3.274 -17.099 -6.428 1.00 0.00 C ATOM 754 OD1 ASP A 50 3.227 -16.586 -5.283 1.00 0.00 O ATOM 755 OD2 ASP A 50 2.700 -18.143 -6.794 1.00 0.00 O ATOM 0 H ASP A 50 5.044 -15.391 -5.463 1.00 0.00 H new ATOM 0 HA ASP A 50 4.713 -14.389 -8.057 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.687 -16.565 -8.465 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.117 -16.741 -7.468 1.00 0.00 H new ATOM 760 N ALA A 51 1.916 -14.437 -6.266 1.00 0.00 N ATOM 761 CA ALA A 51 0.520 -14.025 -6.267 1.00 0.00 C ATOM 762 C ALA A 51 0.393 -12.513 -6.440 1.00 0.00 C ATOM 763 O ALA A 51 -0.339 -12.043 -7.310 1.00 0.00 O ATOM 764 CB ALA A 51 -0.170 -14.512 -4.989 1.00 0.00 C ATOM 0 H ALA A 51 2.210 -14.897 -5.404 1.00 0.00 H new ATOM 0 HA ALA A 51 0.018 -14.484 -7.119 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.214 -14.200 -4.998 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.117 -15.600 -4.939 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.330 -14.084 -4.120 1.00 0.00 H new ATOM 770 N ASN A 52 1.111 -11.740 -5.621 1.00 0.00 N ATOM 771 CA ASN A 52 1.082 -10.288 -5.733 1.00 0.00 C ATOM 772 C ASN A 52 1.830 -9.857 -6.997 1.00 0.00 C ATOM 773 O ASN A 52 1.360 -9.012 -7.757 1.00 0.00 O ATOM 774 CB ASN A 52 1.659 -9.665 -4.455 1.00 0.00 C ATOM 775 CG ASN A 52 1.382 -8.165 -4.326 1.00 0.00 C ATOM 776 OD1 ASN A 52 1.599 -7.393 -5.254 1.00 0.00 O ATOM 777 ND2 ASN A 52 0.882 -7.736 -3.170 1.00 0.00 N ATOM 0 H ASN A 52 1.714 -12.097 -4.880 1.00 0.00 H new ATOM 0 HA ASN A 52 0.057 -9.930 -5.830 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.241 -10.179 -3.589 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.736 -9.830 -4.434 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.671 -6.746 -3.042 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.710 -8.397 -2.412 1.00 0.00 H new ATOM 784 N LYS A 53 2.990 -10.458 -7.273 1.00 0.00 N ATOM 785 CA LYS A 53 3.834 -9.980 -8.368 1.00 0.00 C ATOM 786 C LYS A 53 3.278 -10.402 -9.730 1.00 0.00 C ATOM 787 O LYS A 53 3.653 -9.852 -10.761 1.00 0.00 O ATOM 788 CB LYS A 53 5.337 -10.218 -8.123 1.00 0.00 C ATOM 789 CG LYS A 53 5.877 -11.531 -8.696 1.00 0.00 C ATOM 790 CD LYS A 53 6.349 -11.346 -10.145 1.00 0.00 C ATOM 791 CE LYS A 53 5.728 -12.391 -11.076 1.00 0.00 C ATOM 792 NZ LYS A 53 6.338 -13.727 -10.906 1.00 0.00 N ATOM 0 H LYS A 53 3.360 -11.261 -6.764 1.00 0.00 H new ATOM 0 HA LYS A 53 3.784 -8.891 -8.393 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.898 -9.390 -8.557 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.524 -10.202 -7.049 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.705 -11.886 -8.083 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.101 -12.295 -8.657 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.084 -10.347 -10.490 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.436 -11.420 -10.187 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.657 -12.456 -10.883 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.847 -12.069 -12.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.886 -14.401 -11.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.355 -13.673 -11.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.203 -14.048 -9.926 1.00 0.00 H new ATOM 806 N ASN A 54 2.350 -11.357 -9.750 1.00 0.00 N ATOM 807 CA ASN A 54 1.615 -11.727 -10.944 1.00 0.00 C ATOM 808 C ASN A 54 0.450 -10.756 -11.200 1.00 0.00 C ATOM 809 O ASN A 54 -0.159 -10.816 -12.262 1.00 0.00 O ATOM 810 CB ASN A 54 1.103 -13.169 -10.822 1.00 0.00 C ATOM 811 CG ASN A 54 0.369 -13.640 -12.076 1.00 0.00 C ATOM 812 OD1 ASN A 54 -0.814 -13.957 -12.029 1.00 0.00 O ATOM 813 ND2 ASN A 54 1.070 -13.719 -13.206 1.00 0.00 N ATOM 0 H ASN A 54 2.089 -11.898 -8.925 1.00 0.00 H new ATOM 0 HA ASN A 54 2.291 -11.666 -11.797 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.944 -13.834 -10.627 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.434 -13.242 -9.965 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.623 -14.050 -14.061 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.053 -13.448 -13.216 1.00 0.00 H new ATOM 820 N LYS A 55 0.099 -9.887 -10.236 1.00 0.00 N ATOM 821 CA LYS A 55 -1.212 -9.229 -10.236 1.00 0.00 C ATOM 822 C LYS A 55 -1.446 -8.374 -11.491 1.00 0.00 C ATOM 823 O LYS A 55 -2.563 -8.328 -12.000 1.00 0.00 O ATOM 824 CB LYS A 55 -1.417 -8.404 -8.955 1.00 0.00 C ATOM 825 CG LYS A 55 -2.906 -8.145 -8.666 1.00 0.00 C ATOM 826 CD LYS A 55 -3.497 -9.248 -7.773 1.00 0.00 C ATOM 827 CE LYS A 55 -4.962 -9.567 -8.105 1.00 0.00 C ATOM 828 NZ LYS A 55 -5.530 -10.599 -7.207 1.00 0.00 N ATOM 0 H LYS A 55 0.701 -9.628 -9.455 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.960 -10.022 -10.256 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.970 -8.929 -8.111 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.896 -7.452 -9.050 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.022 -7.177 -8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.459 -8.097 -9.604 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.900 -10.154 -7.880 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.425 -8.941 -6.730 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.556 -8.656 -8.030 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.032 -9.909 -9.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.432 -10.940 -7.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.864 -11.394 -7.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.693 -10.188 -6.266 1.00 0.00 H new ATOM 842 N GLY A 56 -0.410 -7.679 -11.972 1.00 0.00 N ATOM 843 CA GLY A 56 -0.453 -6.960 -13.241 1.00 0.00 C ATOM 844 C GLY A 56 -1.514 -5.855 -13.284 1.00 0.00 C ATOM 845 O GLY A 56 -2.191 -5.675 -14.293 1.00 0.00 O ATOM 0 H GLY A 56 0.484 -7.602 -11.487 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.526 -6.520 -13.433 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.647 -7.670 -14.045 1.00 0.00 H new ATOM 849 N ILE A 57 -1.633 -5.097 -12.192 1.00 0.00 N ATOM 850 CA ILE A 57 -2.490 -3.922 -12.073 1.00 0.00 C ATOM 851 C ILE A 57 -1.627 -2.652 -12.158 1.00 0.00 C ATOM 852 O ILE A 57 -0.545 -2.694 -12.739 1.00 0.00 O ATOM 853 CB ILE A 57 -3.311 -4.034 -10.777 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.411 -4.270 -9.556 1.00 0.00 C ATOM 855 CG2 ILE A 57 -4.356 -5.148 -10.920 1.00 0.00 C ATOM 856 CD1 ILE A 57 -2.986 -3.664 -8.285 1.00 0.00 C ATOM 0 H ILE A 57 -1.115 -5.294 -11.336 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.205 -3.861 -12.894 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.826 -3.087 -10.612 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.271 -5.341 -9.413 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.426 -3.842 -9.746 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.935 -5.224 -10.000 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.023 -4.917 -11.751 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.853 -6.096 -11.111 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.311 -3.859 -7.451 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.101 -2.588 -8.415 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.958 -4.110 -8.077 1.00 0.00 H new ATOM 868 N THR A 58 -2.088 -1.516 -11.622 1.00 0.00 N ATOM 869 CA THR A 58 -1.477 -0.208 -11.805 1.00 0.00 C ATOM 870 C THR A 58 -1.441 0.572 -10.477 1.00 0.00 C ATOM 871 O THR A 58 -1.526 1.801 -10.490 1.00 0.00 O ATOM 872 CB THR A 58 -2.329 0.524 -12.857 1.00 0.00 C ATOM 873 OG1 THR A 58 -2.879 -0.391 -13.790 1.00 0.00 O ATOM 874 CG2 THR A 58 -1.497 1.542 -13.619 1.00 0.00 C ATOM 0 H THR A 58 -2.921 -1.488 -11.033 1.00 0.00 H new ATOM 0 HA THR A 58 -0.442 -0.299 -12.136 1.00 0.00 H new ATOM 0 HB THR A 58 -3.131 1.031 -12.322 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.418 0.097 -14.448 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.123 2.045 -14.356 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.094 2.277 -12.922 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.676 1.035 -14.126 1.00 0.00 H new ATOM 882 N TRP A 59 -1.391 -0.162 -9.352 1.00 0.00 N ATOM 883 CA TRP A 59 -1.714 0.293 -7.997 1.00 0.00 C ATOM 884 C TRP A 59 -2.542 1.577 -7.954 1.00 0.00 C ATOM 885 O TRP A 59 -2.081 2.619 -7.501 1.00 0.00 O ATOM 886 CB TRP A 59 -0.463 0.352 -7.117 1.00 0.00 C ATOM 887 CG TRP A 59 -0.042 -0.973 -6.568 1.00 0.00 C ATOM 888 CD1 TRP A 59 1.163 -1.545 -6.755 1.00 0.00 C ATOM 889 CD2 TRP A 59 -0.800 -1.896 -5.726 1.00 0.00 C ATOM 890 NE1 TRP A 59 1.200 -2.757 -6.108 1.00 0.00 N ATOM 891 CE2 TRP A 59 0.012 -3.039 -5.465 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.089 -1.884 -5.146 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.431 -4.114 -4.678 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -2.539 -2.950 -4.346 1.00 0.00 C ATOM 895 CH2 TRP A 59 -1.711 -4.058 -4.105 1.00 0.00 C ATOM 0 H TRP A 59 -1.108 -1.142 -9.369 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.373 -0.462 -7.569 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.358 0.770 -7.699 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -0.647 1.035 -6.288 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.975 -1.117 -7.325 1.00 0.00 H new ATOM 0 HE1 TRP A 59 2.011 -3.376 -6.104 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -2.741 -1.041 -5.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.204 -4.972 -4.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.528 -2.916 -3.914 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.059 -4.867 -3.479 1.00 0.00 H new ATOM 906 N LYS A 60 -3.790 1.462 -8.403 1.00 0.00 N ATOM 907 CA LYS A 60 -4.728 2.566 -8.526 1.00 0.00 C ATOM 908 C LYS A 60 -5.762 2.503 -7.399 1.00 0.00 C ATOM 909 O LYS A 60 -5.833 1.510 -6.667 1.00 0.00 O ATOM 910 CB LYS A 60 -5.391 2.495 -9.911 1.00 0.00 C ATOM 911 CG LYS A 60 -5.891 1.070 -10.201 1.00 0.00 C ATOM 912 CD LYS A 60 -7.057 1.023 -11.184 1.00 0.00 C ATOM 913 CE LYS A 60 -6.680 1.035 -12.668 1.00 0.00 C ATOM 914 NZ LYS A 60 -7.837 0.581 -13.469 1.00 0.00 N ATOM 0 H LYS A 60 -4.184 0.569 -8.699 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.208 3.520 -8.436 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.225 3.195 -9.957 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.678 2.799 -10.677 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.067 0.478 -10.599 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.196 0.603 -9.265 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.640 0.124 -10.984 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.708 1.875 -10.987 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.384 2.039 -12.972 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.824 0.384 -12.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.065 1.298 -14.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.603 -0.317 -13.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.658 0.442 -12.846 1.00 0.00 H new ATOM 928 N GLU A 61 -6.592 3.543 -7.307 1.00 0.00 N ATOM 929 CA GLU A 61 -7.608 3.716 -6.266 1.00 0.00 C ATOM 930 C GLU A 61 -8.526 2.513 -6.144 1.00 0.00 C ATOM 931 O GLU A 61 -8.942 2.170 -5.040 1.00 0.00 O ATOM 932 CB GLU A 61 -8.381 5.053 -6.372 1.00 0.00 C ATOM 933 CG GLU A 61 -8.514 5.674 -7.772 1.00 0.00 C ATOM 934 CD GLU A 61 -7.242 6.380 -8.215 1.00 0.00 C ATOM 935 OE1 GLU A 61 -7.036 7.530 -7.771 1.00 0.00 O ATOM 936 OE2 GLU A 61 -6.463 5.710 -8.928 1.00 0.00 O ATOM 0 H GLU A 61 -6.576 4.313 -7.976 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.057 3.779 -5.328 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.384 4.897 -5.974 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.891 5.780 -5.724 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.762 4.893 -8.491 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.341 6.384 -7.775 1.00 0.00 H new ATOM 943 N GLU A 62 -8.812 1.847 -7.258 1.00 0.00 N ATOM 944 CA GLU A 62 -9.716 0.721 -7.228 1.00 0.00 C ATOM 945 C GLU A 62 -9.086 -0.424 -6.428 1.00 0.00 C ATOM 946 O GLU A 62 -9.641 -0.954 -5.466 1.00 0.00 O ATOM 947 CB GLU A 62 -10.044 0.278 -8.667 1.00 0.00 C ATOM 948 CG GLU A 62 -10.347 1.435 -9.635 1.00 0.00 C ATOM 949 CD GLU A 62 -10.665 0.898 -11.029 1.00 0.00 C ATOM 950 OE1 GLU A 62 -11.683 0.189 -11.146 1.00 0.00 O ATOM 951 OE2 GLU A 62 -9.856 1.152 -11.951 1.00 0.00 O ATOM 0 H GLU A 62 -8.432 2.070 -8.178 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.647 1.009 -6.740 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.204 -0.296 -9.058 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.903 -0.392 -8.641 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.190 2.017 -9.262 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.491 2.109 -9.685 1.00 0.00 H new ATOM 958 N THR A 63 -7.887 -0.807 -6.858 1.00 0.00 N ATOM 959 CA THR A 63 -7.194 -1.986 -6.398 1.00 0.00 C ATOM 960 C THR A 63 -6.642 -1.768 -4.997 1.00 0.00 C ATOM 961 O THR A 63 -6.682 -2.678 -4.172 1.00 0.00 O ATOM 962 CB THR A 63 -6.094 -2.314 -7.407 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.340 -1.159 -7.748 1.00 0.00 O ATOM 964 CG2 THR A 63 -6.719 -2.862 -8.696 1.00 0.00 C ATOM 0 H THR A 63 -7.362 -0.283 -7.558 1.00 0.00 H new ATOM 0 HA THR A 63 -7.878 -2.832 -6.332 1.00 0.00 H new ATOM 0 HB THR A 63 -5.438 -3.051 -6.945 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.875 -1.311 -8.597 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.931 -3.094 -9.412 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.283 -3.767 -8.471 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.388 -2.114 -9.122 1.00 0.00 H new ATOM 972 N LEU A 64 -6.132 -0.564 -4.718 1.00 0.00 N ATOM 973 CA LEU A 64 -5.723 -0.213 -3.373 1.00 0.00 C ATOM 974 C LEU A 64 -6.887 -0.373 -2.403 1.00 0.00 C ATOM 975 O LEU A 64 -6.677 -0.857 -1.296 1.00 0.00 O ATOM 976 CB LEU A 64 -5.189 1.222 -3.322 1.00 0.00 C ATOM 977 CG LEU A 64 -3.653 1.284 -3.310 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.138 1.891 -4.611 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.188 2.113 -2.114 1.00 0.00 C ATOM 0 H LEU A 64 -5.997 0.174 -5.409 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.922 -0.890 -3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.564 1.776 -4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.575 1.718 -2.431 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.252 0.274 -3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.049 1.929 -4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.463 1.278 -5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.534 2.900 -4.723 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.099 2.158 -2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.592 3.122 -2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.541 1.651 -1.192 1.00 0.00 H new ATOM 991 N MET A 65 -8.099 0.035 -2.785 1.00 0.00 N ATOM 992 CA MET A 65 -9.235 -0.077 -1.895 1.00 0.00 C ATOM 993 C MET A 65 -9.475 -1.545 -1.548 1.00 0.00 C ATOM 994 O MET A 65 -9.571 -1.894 -0.372 1.00 0.00 O ATOM 995 CB MET A 65 -10.464 0.584 -2.530 1.00 0.00 C ATOM 996 CG MET A 65 -11.499 0.926 -1.456 1.00 0.00 C ATOM 997 SD MET A 65 -13.181 0.306 -1.699 1.00 0.00 S ATOM 998 CE MET A 65 -12.876 -1.467 -1.552 1.00 0.00 C ATOM 0 H MET A 65 -8.309 0.441 -3.697 1.00 0.00 H new ATOM 0 HA MET A 65 -9.033 0.449 -0.962 1.00 0.00 H new ATOM 0 HB2 MET A 65 -10.166 1.490 -3.058 1.00 0.00 H new ATOM 0 HB3 MET A 65 -10.904 -0.086 -3.269 1.00 0.00 H new ATOM 0 HG2 MET A 65 -11.134 0.546 -0.502 1.00 0.00 H new ATOM 0 HG3 MET A 65 -11.549 2.011 -1.369 1.00 0.00 H new ATOM 0 HE1 MET A 65 -13.823 -2.005 -1.606 1.00 0.00 H new ATOM 0 HE2 MET A 65 -12.227 -1.793 -2.365 1.00 0.00 H new ATOM 0 HE3 MET A 65 -12.394 -1.675 -0.597 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.552 -2.398 -2.575 1.00 0.00 N ATOM 1009 CA GLU A 66 -9.801 -3.825 -2.393 1.00 0.00 C ATOM 1010 C GLU A 66 -8.733 -4.438 -1.471 1.00 0.00 C ATOM 1011 O GLU A 66 -9.045 -5.130 -0.502 1.00 0.00 O ATOM 1012 CB GLU A 66 -9.848 -4.482 -3.782 1.00 0.00 C ATOM 1013 CG GLU A 66 -10.259 -5.963 -3.772 1.00 0.00 C ATOM 1014 CD GLU A 66 -11.702 -6.227 -3.367 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -12.513 -5.281 -3.419 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -11.980 -7.414 -3.081 1.00 0.00 O ATOM 0 H GLU A 66 -9.444 -2.117 -3.549 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.758 -3.999 -1.901 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.547 -3.928 -4.409 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.865 -4.394 -4.245 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.095 -6.377 -4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.602 -6.502 -3.090 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.460 -4.159 -1.766 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.325 -4.655 -0.998 1.00 0.00 C ATOM 1025 C TYR A 67 -6.420 -4.205 0.455 1.00 0.00 C ATOM 1026 O TYR A 67 -6.473 -5.035 1.348 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.032 -4.151 -1.647 1.00 0.00 C ATOM 1028 CG TYR A 67 -3.732 -4.703 -1.084 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.532 -6.094 -0.966 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.643 -3.835 -0.883 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.248 -6.612 -0.730 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.367 -4.356 -0.618 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.162 -5.743 -0.563 1.00 0.00 C ATOM 1034 OH TYR A 67 0.090 -6.247 -0.403 1.00 0.00 O ATOM 0 H TYR A 67 -7.190 -3.574 -2.557 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.328 -5.745 -1.001 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.070 -4.385 -2.711 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.007 -3.065 -1.561 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.372 -6.766 -1.058 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.789 -2.766 -0.933 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.098 -7.680 -0.677 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.537 -3.685 -0.455 1.00 0.00 H new ATOM 0 HH TYR A 67 0.467 -5.925 0.443 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.423 -2.901 0.716 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.409 -2.403 2.085 1.00 0.00 C ATOM 1046 C LEU A 68 -7.636 -2.856 2.874 1.00 0.00 C ATOM 1047 O LEU A 68 -7.517 -3.110 4.071 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.248 -0.877 2.135 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.784 -0.401 2.169 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -4.022 -1.005 3.356 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -4.030 -0.707 0.871 1.00 0.00 C ATOM 0 H LEU A 68 -6.435 -2.174 0.000 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.535 -2.842 2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.740 -0.442 1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.763 -0.497 3.017 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.830 0.682 2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.993 -0.647 3.348 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.503 -0.706 4.287 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.029 -2.092 3.277 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.004 -0.349 0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.026 -1.783 0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.523 -0.207 0.037 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.801 -2.958 2.228 1.00 0.00 N ATOM 1064 CA GLU A 69 -9.986 -3.481 2.892 1.00 0.00 C ATOM 1065 C GLU A 69 -9.747 -4.937 3.299 1.00 0.00 C ATOM 1066 O GLU A 69 -9.971 -5.295 4.454 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.224 -3.288 1.999 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.553 -3.551 2.733 1.00 0.00 C ATOM 1069 CD GLU A 69 -13.059 -4.982 2.560 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -13.509 -5.287 1.437 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -13.010 -5.749 3.546 1.00 0.00 O ATOM 0 H GLU A 69 -8.943 -2.687 1.255 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.183 -2.926 3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.227 -2.270 1.610 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.152 -3.957 1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.422 -3.344 3.795 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.309 -2.857 2.364 1.00 0.00 H new ATOM 1078 N ASN A 70 -9.271 -5.771 2.366 1.00 0.00 N ATOM 1079 CA ASN A 70 -9.203 -7.214 2.575 1.00 0.00 C ATOM 1080 C ASN A 70 -7.983 -7.831 1.883 1.00 0.00 C ATOM 1081 O ASN A 70 -8.123 -8.546 0.894 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.500 -7.820 2.037 1.00 0.00 C ATOM 1083 CG ASN A 70 -10.907 -9.064 2.813 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -10.076 -9.908 3.151 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -12.197 -9.186 3.111 1.00 0.00 N ATOM 0 H ASN A 70 -8.927 -5.464 1.456 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.092 -7.427 3.638 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.298 -7.079 2.093 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.374 -8.073 0.984 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.525 -9.997 3.635 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.859 -8.468 2.816 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.764 -7.599 2.378 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.558 -7.826 1.594 1.00 0.00 C ATOM 1094 C PRO A 71 -5.372 -9.306 1.282 1.00 0.00 C ATOM 1095 O PRO A 71 -5.155 -9.689 0.132 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.411 -7.204 2.394 1.00 0.00 C ATOM 1097 CG PRO A 71 -4.963 -7.095 3.818 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.476 -6.970 3.648 1.00 0.00 C ATOM 0 HA PRO A 71 -5.608 -7.357 0.611 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.518 -7.827 2.360 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.133 -6.227 1.998 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.704 -7.973 4.410 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.551 -6.229 4.336 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -7.007 -7.464 4.462 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.788 -5.926 3.651 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.524 -10.143 2.307 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.470 -11.585 2.176 1.00 0.00 C ATOM 1108 C LYS A 72 -6.532 -12.133 1.209 1.00 0.00 C ATOM 1109 O LYS A 72 -6.379 -13.243 0.711 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.553 -12.204 3.579 1.00 0.00 C ATOM 1111 CG LYS A 72 -6.938 -12.079 4.236 1.00 0.00 C ATOM 1112 CD LYS A 72 -7.756 -13.364 4.033 1.00 0.00 C ATOM 1113 CE LYS A 72 -9.199 -13.167 4.513 1.00 0.00 C ATOM 1114 NZ LYS A 72 -10.011 -14.387 4.322 1.00 0.00 N ATOM 0 H LYS A 72 -5.690 -9.827 3.262 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.521 -11.871 1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.286 -13.259 3.516 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.813 -11.725 4.221 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.823 -11.880 5.302 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.473 -11.231 3.809 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.752 -13.641 2.979 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.294 -14.186 4.580 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.197 -12.893 5.568 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.653 -12.339 3.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.980 -14.215 4.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.034 -14.634 3.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.592 -15.171 4.861 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.630 -11.404 0.962 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.630 -11.815 -0.016 1.00 0.00 C ATOM 1130 C LYS A 73 -8.199 -11.343 -1.400 1.00 0.00 C ATOM 1131 O LYS A 73 -8.210 -12.133 -2.342 1.00 0.00 O ATOM 1132 CB LYS A 73 -10.017 -11.296 0.382 1.00 0.00 C ATOM 1133 CG LYS A 73 -11.136 -11.634 -0.617 1.00 0.00 C ATOM 1134 CD LYS A 73 -11.359 -10.500 -1.631 1.00 0.00 C ATOM 1135 CE LYS A 73 -12.486 -10.848 -2.612 1.00 0.00 C ATOM 1136 NZ LYS A 73 -12.650 -9.793 -3.632 1.00 0.00 N ATOM 0 H LYS A 73 -7.842 -10.524 1.432 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.705 -12.902 -0.042 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.280 -11.709 1.356 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.966 -10.213 0.498 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.884 -12.552 -1.148 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.062 -11.824 -0.075 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.605 -9.579 -1.103 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.437 -10.315 -2.182 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.267 -11.798 -3.099 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.420 -10.978 -2.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.595 -9.867 -4.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.544 -8.859 -3.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.927 -9.908 -4.370 1.00 0.00 H new ATOM 1150 N TYR A 74 -7.842 -10.059 -1.544 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.384 -9.523 -2.816 1.00 0.00 C ATOM 1152 C TYR A 74 -6.272 -10.381 -3.426 1.00 0.00 C ATOM 1153 O TYR A 74 -6.243 -10.599 -4.644 1.00 0.00 O ATOM 1154 CB TYR A 74 -6.901 -8.085 -2.617 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.520 -7.388 -3.908 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -7.442 -7.337 -4.969 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.212 -6.905 -4.104 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -7.063 -6.812 -6.212 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -4.831 -6.377 -5.348 1.00 0.00 C ATOM 1160 CZ TYR A 74 -5.760 -6.332 -6.397 1.00 0.00 C ATOM 1161 OH TYR A 74 -5.354 -6.004 -7.650 1.00 0.00 O ATOM 0 H TYR A 74 -7.865 -9.376 -0.786 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.221 -9.536 -3.514 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.686 -7.512 -2.123 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.040 -8.089 -1.948 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.447 -7.704 -4.825 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.499 -6.941 -3.294 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.773 -6.778 -7.025 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.827 -6.007 -5.496 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.124 -5.700 -8.174 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.338 -10.829 -2.583 1.00 0.00 N ATOM 1172 CA ILE A 75 -4.241 -11.710 -2.959 1.00 0.00 C ATOM 1173 C ILE A 75 -4.096 -12.802 -1.883 1.00 0.00 C ATOM 1174 O ILE A 75 -3.461 -12.562 -0.854 1.00 0.00 O ATOM 1175 CB ILE A 75 -2.948 -10.890 -3.122 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -3.069 -9.850 -4.248 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -1.775 -11.826 -3.467 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -2.054 -8.724 -4.082 1.00 0.00 C ATOM 0 H ILE A 75 -5.328 -10.579 -1.594 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.444 -12.191 -3.916 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.774 -10.375 -2.177 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.919 -10.337 -5.212 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.077 -9.435 -4.254 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.863 -11.240 -3.581 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.641 -12.553 -2.666 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.989 -12.349 -4.399 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.169 -8.008 -4.896 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.221 -8.221 -3.130 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.046 -9.137 -4.102 1.00 0.00 H new ATOM 1190 N PRO A 76 -4.638 -14.013 -2.103 1.00 0.00 N ATOM 1191 CA PRO A 76 -4.541 -15.112 -1.152 1.00 0.00 C ATOM 1192 C PRO A 76 -3.150 -15.752 -1.209 1.00 0.00 C ATOM 1193 O PRO A 76 -2.992 -16.886 -1.652 1.00 0.00 O ATOM 1194 CB PRO A 76 -5.670 -16.070 -1.541 1.00 0.00 C ATOM 1195 CG PRO A 76 -5.759 -15.891 -3.054 1.00 0.00 C ATOM 1196 CD PRO A 76 -5.444 -14.405 -3.250 1.00 0.00 C ATOM 0 HA PRO A 76 -4.655 -14.795 -0.115 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.439 -17.100 -1.268 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.607 -15.812 -1.047 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.045 -16.526 -3.577 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.749 -16.146 -3.432 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.903 -14.240 -4.182 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.359 -13.816 -3.304 1.00 0.00 H new ATOM 1204 N GLY A 77 -2.145 -15.011 -0.739 1.00 0.00 N ATOM 1205 CA GLY A 77 -0.758 -15.453 -0.667 1.00 0.00 C ATOM 1206 C GLY A 77 0.168 -14.295 -1.013 1.00 0.00 C ATOM 1207 O GLY A 77 1.015 -14.416 -1.890 1.00 0.00 O ATOM 0 H GLY A 77 -2.281 -14.062 -0.390 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.535 -15.823 0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.594 -16.281 -1.356 1.00 0.00 H new ATOM 1211 N THR A 78 -0.017 -13.167 -0.327 1.00 0.00 N ATOM 1212 CA THR A 78 0.757 -11.948 -0.470 1.00 0.00 C ATOM 1213 C THR A 78 1.798 -11.951 0.658 1.00 0.00 C ATOM 1214 O THR A 78 1.584 -12.595 1.685 1.00 0.00 O ATOM 1215 CB THR A 78 -0.242 -10.773 -0.445 1.00 0.00 C ATOM 1216 OG1 THR A 78 0.228 -9.631 -1.128 1.00 0.00 O ATOM 1217 CG2 THR A 78 -0.744 -10.406 0.950 1.00 0.00 C ATOM 0 H THR A 78 -0.750 -13.081 0.378 1.00 0.00 H new ATOM 0 HA THR A 78 1.310 -11.860 -1.405 1.00 0.00 H new ATOM 0 HB THR A 78 -1.105 -11.154 -0.992 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.417 -8.900 -1.026 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.441 -9.571 0.878 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.250 -11.264 1.392 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.100 -10.120 1.577 1.00 0.00 H new ATOM 1225 N LYS A 79 2.940 -11.285 0.475 1.00 0.00 N ATOM 1226 CA LYS A 79 3.977 -11.210 1.499 1.00 0.00 C ATOM 1227 C LYS A 79 3.527 -10.328 2.669 1.00 0.00 C ATOM 1228 O LYS A 79 4.006 -10.487 3.788 1.00 0.00 O ATOM 1229 CB LYS A 79 5.286 -10.705 0.867 1.00 0.00 C ATOM 1230 CG LYS A 79 6.527 -11.031 1.714 1.00 0.00 C ATOM 1231 CD LYS A 79 7.769 -11.075 0.810 1.00 0.00 C ATOM 1232 CE LYS A 79 9.020 -11.490 1.599 1.00 0.00 C ATOM 1233 NZ LYS A 79 10.144 -11.843 0.704 1.00 0.00 N ATOM 0 H LYS A 79 3.169 -10.785 -0.384 1.00 0.00 H new ATOM 0 HA LYS A 79 4.156 -12.205 1.907 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.401 -11.149 -0.122 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.222 -9.626 0.726 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.657 -10.279 2.492 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.396 -11.989 2.216 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.602 -11.777 -0.007 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.929 -10.095 0.360 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.322 -10.675 2.257 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.782 -12.342 2.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.969 -12.117 1.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.865 -12.638 0.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.389 -11.022 0.114 1.00 0.00 H new ATOM 1247 N MET A 80 2.645 -9.367 2.391 1.00 0.00 N ATOM 1248 CA MET A 80 2.053 -8.446 3.343 1.00 0.00 C ATOM 1249 C MET A 80 1.188 -9.207 4.344 1.00 0.00 C ATOM 1250 O MET A 80 0.550 -10.203 4.012 1.00 0.00 O ATOM 1251 CB MET A 80 1.248 -7.417 2.547 1.00 0.00 C ATOM 1252 CG MET A 80 0.545 -6.310 3.330 1.00 0.00 C ATOM 1253 SD MET A 80 0.446 -4.772 2.376 1.00 0.00 S ATOM 1254 CE MET A 80 -1.252 -4.191 2.667 1.00 0.00 C ATOM 0 H MET A 80 2.311 -9.207 1.441 1.00 0.00 H new ATOM 0 HA MET A 80 2.818 -7.931 3.924 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.920 -6.946 1.830 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.493 -7.953 1.972 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.460 -6.636 3.599 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.081 -6.127 4.261 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.415 -3.258 2.128 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.959 -4.942 2.314 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.402 -4.025 3.734 1.00 0.00 H new ATOM 1264 N ILE A 81 1.184 -8.728 5.584 1.00 0.00 N ATOM 1265 CA ILE A 81 0.600 -9.407 6.727 1.00 0.00 C ATOM 1266 C ILE A 81 -0.353 -8.410 7.370 1.00 0.00 C ATOM 1267 O ILE A 81 0.054 -7.593 8.194 1.00 0.00 O ATOM 1268 CB ILE A 81 1.720 -9.846 7.684 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.817 -10.683 7.000 1.00 0.00 C ATOM 1270 CG2 ILE A 81 1.143 -10.590 8.898 1.00 0.00 C ATOM 1271 CD1 ILE A 81 2.347 -12.046 6.480 1.00 0.00 C ATOM 0 H ILE A 81 1.601 -7.829 5.825 1.00 0.00 H new ATOM 0 HA ILE A 81 0.056 -10.310 6.449 1.00 0.00 H new ATOM 0 HB ILE A 81 2.203 -8.931 8.025 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.225 -10.112 6.166 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.631 -10.840 7.708 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.955 -10.890 9.560 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.460 -9.933 9.436 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.604 -11.475 8.560 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.184 -12.566 6.014 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.967 -12.641 7.311 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.555 -11.902 5.745 1.00 0.00 H new ATOM 1283 N PHE A 82 -1.615 -8.425 6.944 1.00 0.00 N ATOM 1284 CA PHE A 82 -2.611 -7.484 7.420 1.00 0.00 C ATOM 1285 C PHE A 82 -4.001 -8.059 7.157 1.00 0.00 C ATOM 1286 O PHE A 82 -4.114 -9.097 6.503 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.379 -6.125 6.743 1.00 0.00 C ATOM 1288 CG PHE A 82 -2.873 -4.946 7.548 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -2.271 -4.668 8.789 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -3.844 -4.074 7.026 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -2.651 -3.532 9.517 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -4.201 -2.921 7.741 1.00 0.00 C ATOM 1293 CZ PHE A 82 -3.608 -2.652 8.988 1.00 0.00 C ATOM 0 H PHE A 82 -1.970 -9.092 6.259 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.528 -7.324 8.495 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.313 -6.002 6.554 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.877 -6.124 5.773 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.514 -5.331 9.182 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.314 -4.291 6.078 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.209 -3.334 10.482 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.932 -2.239 7.333 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.890 -1.767 9.539 1.00 0.00 H new ATOM 1303 N ALA A 83 -5.048 -7.417 7.683 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.410 -7.938 7.612 1.00 0.00 C ATOM 1305 C ALA A 83 -7.443 -6.839 7.845 1.00 0.00 C ATOM 1306 O ALA A 83 -8.363 -6.686 7.049 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.589 -9.058 8.640 1.00 0.00 C ATOM 0 H ALA A 83 -4.972 -6.523 8.169 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.570 -8.335 6.609 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.607 -9.444 8.584 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.884 -9.862 8.429 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.404 -8.667 9.640 1.00 0.00 H new ATOM 1313 N GLY A 84 -7.310 -6.099 8.947 1.00 0.00 N ATOM 1314 CA GLY A 84 -8.222 -5.037 9.334 1.00 0.00 C ATOM 1315 C GLY A 84 -7.435 -3.983 10.104 1.00 0.00 C ATOM 1316 O GLY A 84 -6.271 -4.211 10.431 1.00 0.00 O ATOM 0 H GLY A 84 -6.544 -6.230 9.607 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.685 -4.595 8.452 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.027 -5.435 9.951 1.00 0.00 H new ATOM 1320 N ILE A 85 -8.057 -2.829 10.362 1.00 0.00 N ATOM 1321 CA ILE A 85 -7.350 -1.645 10.840 1.00 0.00 C ATOM 1322 C ILE A 85 -8.224 -0.786 11.756 1.00 0.00 C ATOM 1323 O ILE A 85 -7.794 -0.411 12.844 1.00 0.00 O ATOM 1324 CB ILE A 85 -6.793 -0.872 9.631 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -5.922 0.296 10.116 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -7.867 -0.423 8.630 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -5.142 0.969 8.985 1.00 0.00 C ATOM 0 H ILE A 85 -9.061 -2.693 10.245 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.509 -1.951 11.463 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.171 -1.566 9.065 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -6.556 1.037 10.604 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.221 -0.068 10.867 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.396 0.115 7.807 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.389 -1.297 8.241 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.580 0.232 9.131 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.546 1.786 9.390 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.484 0.240 8.512 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.840 1.361 8.245 1.00 0.00 H new ATOM 1339 N LYS A 86 -9.441 -0.464 11.309 1.00 0.00 N ATOM 1340 CA LYS A 86 -10.404 0.322 12.051 1.00 0.00 C ATOM 1341 C LYS A 86 -11.786 -0.285 11.815 1.00 0.00 C ATOM 1342 O LYS A 86 -12.342 -0.938 12.693 1.00 0.00 O ATOM 1343 CB LYS A 86 -10.330 1.793 11.591 1.00 0.00 C ATOM 1344 CG LYS A 86 -10.402 2.745 12.784 1.00 0.00 C ATOM 1345 CD LYS A 86 -10.984 4.122 12.415 1.00 0.00 C ATOM 1346 CE LYS A 86 -12.202 4.527 13.251 1.00 0.00 C ATOM 1347 NZ LYS A 86 -11.825 4.950 14.612 1.00 0.00 N ATOM 0 H LYS A 86 -9.784 -0.756 10.394 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.192 0.308 13.120 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.402 1.960 11.044 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.149 2.004 10.903 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.014 2.295 13.566 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.402 2.877 13.198 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.207 4.877 12.534 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.265 4.116 11.362 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.729 5.340 12.752 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.895 3.688 13.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.679 5.215 15.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.345 4.166 15.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.184 5.767 14.557 1.00 0.00 H new ATOM 1361 N LYS A 87 -12.326 -0.073 10.610 1.00 0.00 N ATOM 1362 CA LYS A 87 -13.657 -0.496 10.217 1.00 0.00 C ATOM 1363 C LYS A 87 -13.863 -0.172 8.740 1.00 0.00 C ATOM 1364 O LYS A 87 -14.103 -1.067 7.936 1.00 0.00 O ATOM 1365 CB LYS A 87 -14.722 0.214 11.071 1.00 0.00 C ATOM 1366 CG LYS A 87 -16.135 -0.366 10.877 1.00 0.00 C ATOM 1367 CD LYS A 87 -16.225 -1.845 11.304 1.00 0.00 C ATOM 1368 CE LYS A 87 -16.208 -2.816 10.107 1.00 0.00 C ATOM 1369 NZ LYS A 87 -15.807 -4.187 10.491 1.00 0.00 N ATOM 0 H LYS A 87 -11.827 0.413 9.865 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.757 -1.570 10.375 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.446 0.138 12.123 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.733 1.275 10.820 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.849 0.221 11.455 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.422 -0.275 9.829 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.392 -2.078 11.967 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.140 -1.998 11.877 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.199 -2.845 9.654 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.521 -2.440 9.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.812 -4.799 9.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.851 -4.168 10.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.476 -4.560 11.194 1.00 0.00 H new ATOM 1383 N LYS A 88 -13.798 1.119 8.396 1.00 0.00 N ATOM 1384 CA LYS A 88 -14.047 1.589 7.041 1.00 0.00 C ATOM 1385 C LYS A 88 -13.318 2.907 6.779 1.00 0.00 C ATOM 1386 O LYS A 88 -12.632 3.013 5.773 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.560 1.686 6.770 1.00 0.00 C ATOM 1388 CG LYS A 88 -15.843 1.536 5.268 1.00 0.00 C ATOM 1389 CD LYS A 88 -17.302 1.839 4.891 1.00 0.00 C ATOM 1390 CE LYS A 88 -18.301 0.860 5.529 1.00 0.00 C ATOM 1391 NZ LYS A 88 -19.693 1.133 5.106 1.00 0.00 N ATOM 0 H LYS A 88 -13.570 1.864 9.055 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.643 0.862 6.336 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -16.086 0.910 7.325 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -15.939 2.644 7.125 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.185 2.205 4.713 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.599 0.520 4.959 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -17.548 2.855 5.201 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -17.407 1.802 3.807 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -18.033 -0.161 5.256 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -18.232 0.928 6.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -20.334 0.450 5.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -19.959 2.098 5.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -19.766 1.043 4.072 1.00 0.00 H new ATOM 1405 N THR A 89 -13.431 3.899 7.670 1.00 0.00 N ATOM 1406 CA THR A 89 -12.795 5.209 7.572 1.00 0.00 C ATOM 1407 C THR A 89 -11.371 5.108 7.032 1.00 0.00 C ATOM 1408 O THR A 89 -10.999 5.824 6.102 1.00 0.00 O ATOM 1409 CB THR A 89 -12.795 5.844 8.971 1.00 0.00 C ATOM 1410 OG1 THR A 89 -14.002 5.504 9.633 1.00 0.00 O ATOM 1411 CG2 THR A 89 -12.630 7.366 8.911 1.00 0.00 C ATOM 0 H THR A 89 -13.994 3.802 8.515 1.00 0.00 H new ATOM 0 HA THR A 89 -13.354 5.828 6.870 1.00 0.00 H new ATOM 0 HB THR A 89 -11.942 5.453 9.525 1.00 0.00 H new ATOM 0 HG1 THR A 89 -14.009 5.904 10.527 1.00 0.00 H new ATOM 0 HG21 THR A 89 -12.636 7.773 9.922 1.00 0.00 H new ATOM 0 HG22 THR A 89 -11.685 7.611 8.427 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.452 7.799 8.341 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.593 4.183 7.596 1.00 0.00 N ATOM 1420 CA GLU A 90 -9.204 4.009 7.216 1.00 0.00 C ATOM 1421 C GLU A 90 -9.040 3.611 5.747 1.00 0.00 C ATOM 1422 O GLU A 90 -8.112 4.083 5.091 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.518 3.001 8.143 1.00 0.00 C ATOM 1424 CG GLU A 90 -7.615 3.732 9.141 1.00 0.00 C ATOM 1425 CD GLU A 90 -8.359 4.332 10.324 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -9.444 4.904 10.091 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -7.844 4.172 11.455 1.00 0.00 O ATOM 0 H GLU A 90 -10.911 3.542 8.323 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.716 4.977 7.328 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.268 2.419 8.678 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.928 2.298 7.555 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.863 3.036 9.513 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.082 4.527 8.619 1.00 0.00 H new ATOM 1434 N ARG A 91 -9.962 2.795 5.212 1.00 0.00 N ATOM 1435 CA ARG A 91 -9.978 2.405 3.801 1.00 0.00 C ATOM 1436 C ARG A 91 -10.179 3.618 2.897 1.00 0.00 C ATOM 1437 O ARG A 91 -10.192 3.493 1.672 1.00 0.00 O ATOM 1438 CB ARG A 91 -11.045 1.322 3.529 1.00 0.00 C ATOM 1439 CG ARG A 91 -12.450 1.830 3.131 1.00 0.00 C ATOM 1440 CD ARG A 91 -12.748 1.705 1.627 1.00 0.00 C ATOM 1441 NE ARG A 91 -13.906 2.526 1.226 1.00 0.00 N ATOM 1442 CZ ARG A 91 -13.893 3.861 1.056 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -12.748 4.543 1.061 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -15.032 4.542 0.905 1.00 0.00 N ATOM 0 H ARG A 91 -10.722 2.386 5.755 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.005 1.973 3.567 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.678 0.672 2.734 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -11.144 0.707 4.423 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -13.201 1.271 3.689 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.546 2.875 3.426 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.871 2.011 1.056 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.940 0.661 1.380 1.00 0.00 H new ATOM 0 HE ARG A 91 -14.789 2.042 1.064 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -11.863 4.053 1.195 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -12.756 5.555 0.931 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -15.926 4.050 0.918 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -15.008 5.554 0.777 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.438 4.789 3.475 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.502 6.016 2.726 1.00 0.00 C ATOM 1460 C GLU A 92 -9.291 6.854 3.064 1.00 0.00 C ATOM 1461 O GLU A 92 -8.535 7.241 2.186 1.00 0.00 O ATOM 1462 CB GLU A 92 -11.799 6.710 3.111 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.205 7.703 2.030 1.00 0.00 C ATOM 1464 CD GLU A 92 -13.705 7.832 2.114 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -14.126 8.588 3.017 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -14.353 7.038 1.396 1.00 0.00 O ATOM 0 H GLU A 92 -10.607 4.901 4.475 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.494 5.845 1.650 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.588 5.971 3.251 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.675 7.227 4.062 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.723 8.668 2.187 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.900 7.351 1.045 1.00 0.00 H new ATOM 1473 N ASP A 93 -9.135 7.127 4.354 1.00 0.00 N ATOM 1474 CA ASP A 93 -8.132 8.031 4.879 1.00 0.00 C ATOM 1475 C ASP A 93 -6.752 7.646 4.339 1.00 0.00 C ATOM 1476 O ASP A 93 -6.070 8.445 3.701 1.00 0.00 O ATOM 1477 CB ASP A 93 -8.182 7.998 6.418 1.00 0.00 C ATOM 1478 CG ASP A 93 -7.876 9.333 7.072 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -7.631 10.320 6.343 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -7.927 9.355 8.315 1.00 0.00 O ATOM 0 H ASP A 93 -9.721 6.712 5.079 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.333 9.052 4.555 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -9.172 7.669 6.733 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.470 7.256 6.779 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.360 6.380 4.525 1.00 0.00 N ATOM 1486 CA LEU A 94 -5.101 5.853 4.011 1.00 0.00 C ATOM 1487 C LEU A 94 -5.024 6.057 2.499 1.00 0.00 C ATOM 1488 O LEU A 94 -4.032 6.556 1.965 1.00 0.00 O ATOM 1489 CB LEU A 94 -5.001 4.352 4.317 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.812 3.964 5.799 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -3.465 3.263 5.948 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.846 5.105 6.815 1.00 0.00 C ATOM 0 H LEU A 94 -6.913 5.694 5.039 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.279 6.384 4.492 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.906 3.868 3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.167 3.942 3.748 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.673 3.336 6.029 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.315 2.981 6.990 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.449 2.369 5.325 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.667 3.937 5.636 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.702 4.703 7.818 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.050 5.816 6.591 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.810 5.611 6.762 1.00 0.00 H new ATOM 1504 N ILE A 95 -6.103 5.688 1.811 1.00 0.00 N ATOM 1505 CA ILE A 95 -6.198 5.758 0.365 1.00 0.00 C ATOM 1506 C ILE A 95 -6.290 7.218 -0.096 1.00 0.00 C ATOM 1507 O ILE A 95 -6.232 7.473 -1.295 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.374 4.875 -0.115 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -7.299 3.453 0.480 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.459 4.775 -1.650 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -5.933 2.789 0.300 1.00 0.00 C ATOM 0 H ILE A 95 -6.947 5.327 2.256 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.295 5.360 -0.097 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.275 5.372 0.244 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.535 3.499 1.543 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.061 2.831 0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.303 4.143 -1.927 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.597 5.770 -2.072 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.538 4.341 -2.038 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.952 1.793 0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.704 2.711 -0.763 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.169 3.390 0.793 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.387 8.189 0.824 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.439 9.592 0.473 1.00 0.00 C ATOM 1525 C ALA A 96 -5.026 10.132 0.609 1.00 0.00 C ATOM 1526 O ALA A 96 -4.521 10.770 -0.313 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.441 10.314 1.371 1.00 0.00 C ATOM 0 H ALA A 96 -6.431 8.011 1.827 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.783 9.749 -0.549 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.476 11.370 1.102 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.430 9.874 1.241 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.134 10.215 2.412 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.360 9.802 1.723 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.947 10.083 1.876 1.00 0.00 C ATOM 1535 C TYR A 97 -2.167 9.548 0.688 1.00 0.00 C ATOM 1536 O TYR A 97 -1.465 10.310 0.036 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.359 9.486 3.156 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.832 9.554 3.204 1.00 0.00 C ATOM 1539 CD1 TYR A 97 -0.154 10.677 2.687 1.00 0.00 C ATOM 1540 CD2 TYR A 97 -0.077 8.481 3.713 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.241 10.791 2.793 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.326 8.566 3.758 1.00 0.00 C ATOM 1543 CZ TYR A 97 1.984 9.730 3.329 1.00 0.00 C ATOM 1544 OH TYR A 97 3.336 9.832 3.447 1.00 0.00 O ATOM 0 H TYR A 97 -4.787 9.340 2.526 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.857 11.168 1.935 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.767 10.015 4.017 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.673 8.446 3.242 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.716 11.461 2.202 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.575 7.592 4.069 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.739 11.691 2.464 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.902 7.729 4.125 1.00 0.00 H new ATOM 0 HH TYR A 97 3.605 9.585 4.357 1.00 0.00 H new ATOM 1554 N LEU A 98 -2.237 8.247 0.413 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.378 7.677 -0.617 1.00 0.00 C ATOM 1556 C LEU A 98 -1.639 8.289 -1.993 1.00 0.00 C ATOM 1557 O LEU A 98 -0.746 8.301 -2.841 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.455 6.151 -0.619 1.00 0.00 C ATOM 1559 CG LEU A 98 -1.028 5.551 0.730 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.133 4.028 0.623 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.387 5.964 1.159 1.00 0.00 C ATOM 0 H LEU A 98 -2.861 7.586 0.875 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.349 7.940 -0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.474 5.840 -0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.816 5.757 -1.409 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.693 5.939 1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.835 3.575 1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.162 3.749 0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.477 3.673 -0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.624 5.506 2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.106 5.631 0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.437 7.049 1.253 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.820 8.890 -2.173 1.00 0.00 N ATOM 1574 CA LYS A 99 -3.195 9.588 -3.395 1.00 0.00 C ATOM 1575 C LYS A 99 -2.448 10.921 -3.562 1.00 0.00 C ATOM 1576 O LYS A 99 -2.656 11.606 -4.561 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.721 9.784 -3.412 1.00 0.00 C ATOM 1578 CG LYS A 99 -5.331 9.274 -4.726 1.00 0.00 C ATOM 1579 CD LYS A 99 -6.858 9.101 -4.668 1.00 0.00 C ATOM 1580 CE LYS A 99 -7.645 10.349 -5.084 1.00 0.00 C ATOM 1581 NZ LYS A 99 -7.324 11.524 -4.253 1.00 0.00 N ATOM 0 H LYS A 99 -3.549 8.902 -1.460 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.900 8.977 -4.248 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.168 9.254 -2.571 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.956 10.841 -3.285 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.083 9.970 -5.527 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.875 8.318 -4.982 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.144 8.272 -5.315 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.144 8.826 -3.653 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.431 10.578 -6.128 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.713 10.141 -5.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.046 12.258 -4.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.307 11.246 -3.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.392 11.897 -4.525 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.588 11.284 -2.604 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.623 12.358 -2.685 1.00 0.00 C ATOM 1597 C LYS A 100 0.776 11.851 -2.325 1.00 0.00 C ATOM 1598 O LYS A 100 1.711 12.325 -2.942 1.00 0.00 O ATOM 1599 CB LYS A 100 -1.033 13.599 -1.877 1.00 0.00 C ATOM 1600 CG LYS A 100 -1.286 13.373 -0.378 1.00 0.00 C ATOM 1601 CD LYS A 100 -1.051 14.685 0.395 1.00 0.00 C ATOM 1602 CE LYS A 100 0.381 14.690 0.945 1.00 0.00 C ATOM 1603 NZ LYS A 100 0.910 16.035 1.250 1.00 0.00 N ATOM 0 H LYS A 100 -1.554 10.802 -1.706 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.597 12.696 -3.721 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -0.252 14.352 -1.984 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.939 14.014 -2.320 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.307 13.025 -0.221 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.623 12.594 -0.001 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.205 15.542 -0.261 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.768 14.775 1.211 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.412 14.086 1.852 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.038 14.210 0.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.720 16.238 0.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.166 16.745 1.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.217 16.070 2.243 1.00 0.00 H new ATOM 1617 N ALA A 101 0.961 10.897 -1.394 1.00 0.00 N ATOM 1618 CA ALA A 101 2.258 10.278 -1.099 1.00 0.00 C ATOM 1619 C ALA A 101 2.946 9.786 -2.368 1.00 0.00 C ATOM 1620 O ALA A 101 4.153 9.928 -2.526 1.00 0.00 O ATOM 1621 CB ALA A 101 2.097 9.104 -0.131 1.00 0.00 C ATOM 0 H ALA A 101 0.201 10.532 -0.820 1.00 0.00 H new ATOM 0 HA ALA A 101 2.878 11.047 -0.638 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.073 8.663 0.071 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.659 9.459 0.802 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.444 8.353 -0.576 1.00 0.00 H new ATOM 1627 N THR A 102 2.147 9.246 -3.292 1.00 0.00 N ATOM 1628 CA THR A 102 2.588 8.797 -4.606 1.00 0.00 C ATOM 1629 C THR A 102 3.219 9.907 -5.472 1.00 0.00 C ATOM 1630 O THR A 102 3.626 9.621 -6.597 1.00 0.00 O ATOM 1631 CB THR A 102 1.379 8.161 -5.304 1.00 0.00 C ATOM 1632 OG1 THR A 102 1.766 7.428 -6.451 1.00 0.00 O ATOM 1633 CG2 THR A 102 0.341 9.229 -5.683 1.00 0.00 C ATOM 0 H THR A 102 1.148 9.107 -3.138 1.00 0.00 H new ATOM 0 HA THR A 102 3.392 8.074 -4.471 1.00 0.00 H new ATOM 0 HB THR A 102 0.926 7.466 -4.597 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.506 7.888 -6.899 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.507 8.754 -6.176 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.002 9.738 -4.783 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.795 9.954 -6.359 1.00 0.00 H new ATOM 1641 N ASN A 103 3.228 11.158 -4.993 1.00 0.00 N ATOM 1642 CA ASN A 103 3.906 12.311 -5.579 1.00 0.00 C ATOM 1643 C ASN A 103 4.669 13.067 -4.483 1.00 0.00 C ATOM 1644 O ASN A 103 5.896 13.094 -4.504 1.00 0.00 O ATOM 1645 CB ASN A 103 2.881 13.223 -6.271 1.00 0.00 C ATOM 1646 CG ASN A 103 3.542 14.282 -7.153 1.00 0.00 C ATOM 1647 OD1 ASN A 103 3.465 14.188 -8.374 1.00 0.00 O ATOM 1648 ND2 ASN A 103 4.175 15.308 -6.594 1.00 0.00 N ATOM 0 H ASN A 103 2.732 11.401 -4.136 1.00 0.00 H new ATOM 0 HA ASN A 103 4.622 11.976 -6.330 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.211 12.615 -6.879 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.268 13.715 -5.515 1.00 0.00 H new ATOM 0 HD21 ASN A 103 4.602 16.025 -7.181 1.00 0.00 H new ATOM 0 HD22 ASN A 103 4.234 15.378 -5.578 1.00 0.00 H new ATOM 1655 N GLU A 104 3.919 13.653 -3.540 1.00 0.00 N ATOM 1656 CA GLU A 104 4.360 14.563 -2.488 1.00 0.00 C ATOM 1657 C GLU A 104 5.288 15.626 -3.089 1.00 0.00 C ATOM 1658 O GLU A 104 6.344 15.927 -2.489 1.00 0.00 O ATOM 1659 CB GLU A 104 4.896 13.772 -1.275 1.00 0.00 C ATOM 1660 CG GLU A 104 3.851 13.514 -0.173 1.00 0.00 C ATOM 1661 CD GLU A 104 3.529 14.695 0.735 1.00 0.00 C ATOM 1662 OE1 GLU A 104 3.269 15.811 0.241 1.00 0.00 O ATOM 1663 OE2 GLU A 104 3.226 14.450 1.924 1.00 0.00 O ATOM 1664 OXT GLU A 104 4.891 16.137 -4.163 1.00 0.00 O ATOM 0 H GLU A 104 2.914 13.487 -3.494 1.00 0.00 H new ATOM 0 HA GLU A 104 3.528 15.130 -2.069 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.283 12.814 -1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.735 14.317 -0.843 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.927 13.184 -0.647 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.203 12.690 0.448 1.00 0.00 H new