USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 532 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 39 THR OG1 : rot 170:sc= -0.66 USER MOD Set 1.2: A 45 GLN : amide:sc= 0.0108 K(o=-0.65,f=-1.3) USER MOD Set 2.1: A 7 LYS NZ :NH3+ -155:sc= 0.607! (180deg=-0.317!) USER MOD Set 2.2: A 55 THR OG1 : rot -130:sc= 2.12 USER MOD Single : A 1 MET CE :methyl -161:sc= -1.67 (180deg=-3.06!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl 161:sc= -0.001 (180deg=-0.647) USER MOD Single : A 8 THR OG1 : rot -6:sc= 1.28 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS :FLIP no HD1:sc= -0.0403 F(o=-0.58,f=-0.04) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot -126:sc= 0.716 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -163:sc= -0.0161 (180deg=-0.253) USER MOD Single : A 28 MET CE :methyl -168:sc= -0.502 (180deg=-0.652) USER MOD Single : A 30 ASN : amide:sc= -2.91! C(o=-2.9!,f=-3.3!) USER MOD Single : A 37 LYS NZ :NH3+ -150:sc= 0.202 (180deg=-0.069) USER MOD Single : A 42 ASN : amide:sc= -0.0668 K(o=-0.067,f=-0.78) USER MOD Single : A 51 MET CE :methyl 178:sc= 0 (180deg=-0.0152) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -173:sc= 0.788 (180deg=0.714) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.499 0.172 -0.588 1.00 0.00 N ATOM 2 CA MET A 1 4.079 0.132 -0.999 1.00 0.00 C ATOM 3 C MET A 1 3.744 -1.250 -1.560 1.00 0.00 C ATOM 4 O MET A 1 3.688 -1.440 -2.774 1.00 0.00 O ATOM 5 CB MET A 1 3.804 1.228 -2.045 1.00 0.00 C ATOM 6 CG MET A 1 2.347 1.342 -2.478 1.00 0.00 C ATOM 7 SD MET A 1 2.101 2.631 -3.720 1.00 0.00 S ATOM 8 CE MET A 1 0.329 2.544 -3.968 1.00 0.00 C ATOM 0 H1 MET A 1 5.724 1.113 -0.207 1.00 0.00 H new ATOM 0 H2 MET A 1 5.669 -0.547 0.144 1.00 0.00 H new ATOM 0 H3 MET A 1 6.104 -0.022 -1.411 1.00 0.00 H new ATOM 0 HA MET A 1 3.445 0.318 -0.132 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.125 2.187 -1.639 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.417 1.033 -2.925 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.013 0.385 -2.879 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.727 1.556 -1.607 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.071 3.017 -4.916 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.015 1.500 -3.986 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.178 3.062 -3.154 1.00 0.00 H new ATOM 18 N LYS A 2 3.544 -2.220 -0.666 1.00 0.00 N ATOM 19 CA LYS A 2 3.327 -3.607 -1.073 1.00 0.00 C ATOM 20 C LYS A 2 2.088 -4.195 -0.401 1.00 0.00 C ATOM 21 O LYS A 2 1.900 -4.062 0.813 1.00 0.00 O ATOM 22 CB LYS A 2 4.555 -4.467 -0.720 1.00 0.00 C ATOM 23 CG LYS A 2 4.442 -5.913 -1.203 1.00 0.00 C ATOM 24 CD LYS A 2 5.647 -6.769 -0.808 1.00 0.00 C ATOM 25 CE LYS A 2 5.706 -7.034 0.692 1.00 0.00 C ATOM 26 NZ LYS A 2 6.764 -8.019 1.041 1.00 0.00 N ATOM 0 H LYS A 2 3.528 -2.070 0.343 1.00 0.00 H new ATOM 0 HA LYS A 2 3.174 -3.613 -2.152 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.445 -4.014 -1.158 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.694 -4.463 0.361 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.536 -6.358 -0.792 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.337 -5.921 -2.288 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.604 -7.719 -1.340 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.563 -6.269 -1.122 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.893 -6.098 1.219 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.739 -7.404 1.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.771 -8.171 2.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 6.572 -8.920 0.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.690 -7.655 0.739 1.00 0.00 H new ATOM 40 N VAL A 3 1.243 -4.835 -1.201 1.00 0.00 N ATOM 41 CA VAL A 3 0.142 -5.638 -0.687 1.00 0.00 C ATOM 42 C VAL A 3 0.040 -6.923 -1.508 1.00 0.00 C ATOM 43 O VAL A 3 -0.123 -6.884 -2.732 1.00 0.00 O ATOM 44 CB VAL A 3 -1.207 -4.864 -0.691 1.00 0.00 C ATOM 45 CG1 VAL A 3 -1.638 -4.478 -2.105 1.00 0.00 C ATOM 46 CG2 VAL A 3 -2.300 -5.669 0.017 1.00 0.00 C ATOM 0 H VAL A 3 1.302 -4.812 -2.219 1.00 0.00 H new ATOM 0 HA VAL A 3 0.350 -5.881 0.355 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.052 -3.938 -0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.585 -3.939 -2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.878 -3.840 -2.556 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.760 -5.379 -2.707 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.234 -5.107 0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.441 -6.621 -0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.005 -5.853 1.050 1.00 0.00 H new ATOM 56 N MET A 4 0.183 -8.057 -0.836 1.00 0.00 N ATOM 57 CA MET A 4 0.233 -9.353 -1.504 1.00 0.00 C ATOM 58 C MET A 4 -1.059 -10.124 -1.256 1.00 0.00 C ATOM 59 O MET A 4 -1.330 -10.553 -0.134 1.00 0.00 O ATOM 60 CB MET A 4 1.445 -10.148 -0.996 1.00 0.00 C ATOM 61 CG MET A 4 1.678 -11.472 -1.715 1.00 0.00 C ATOM 62 SD MET A 4 3.169 -12.310 -1.134 1.00 0.00 S ATOM 63 CE MET A 4 3.185 -13.762 -2.186 1.00 0.00 C ATOM 0 H MET A 4 0.267 -8.107 0.179 1.00 0.00 H new ATOM 0 HA MET A 4 0.337 -9.201 -2.578 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.338 -9.531 -1.099 1.00 0.00 H new ATOM 0 HB3 MET A 4 1.315 -10.345 0.068 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.816 -12.122 -1.565 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.759 -11.292 -2.787 1.00 0.00 H new ATOM 0 HE1 MET A 4 4.186 -14.194 -2.195 1.00 0.00 H new ATOM 0 HE2 MET A 4 2.476 -14.496 -1.804 1.00 0.00 H new ATOM 0 HE3 MET A 4 2.903 -13.480 -3.200 1.00 0.00 H new ATOM 73 N ILE A 5 -1.858 -10.283 -2.302 1.00 0.00 N ATOM 74 CA ILE A 5 -3.141 -10.966 -2.192 1.00 0.00 C ATOM 75 C ILE A 5 -2.948 -12.474 -2.332 1.00 0.00 C ATOM 76 O ILE A 5 -2.321 -12.935 -3.282 1.00 0.00 O ATOM 77 CB ILE A 5 -4.138 -10.469 -3.271 1.00 0.00 C ATOM 78 CG1 ILE A 5 -4.298 -8.938 -3.199 1.00 0.00 C ATOM 79 CG2 ILE A 5 -5.494 -11.162 -3.121 1.00 0.00 C ATOM 80 CD1 ILE A 5 -4.841 -8.431 -1.877 1.00 0.00 C ATOM 0 H ILE A 5 -1.640 -9.947 -3.240 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.555 -10.740 -1.209 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.734 -10.725 -4.250 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.329 -8.474 -3.383 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.963 -8.615 -4.000 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.176 -10.797 -3.889 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.366 -12.239 -3.231 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.907 -10.945 -2.136 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.923 -7.345 -1.910 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.825 -8.864 -1.698 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.166 -8.720 -1.072 1.00 0.00 H new ATOM 92 N ARG A 6 -3.490 -13.234 -1.385 1.00 0.00 N ATOM 93 CA ARG A 6 -3.393 -14.691 -1.412 1.00 0.00 C ATOM 94 C ARG A 6 -4.656 -15.283 -2.029 1.00 0.00 C ATOM 95 O ARG A 6 -5.776 -14.921 -1.653 1.00 0.00 O ATOM 96 CB ARG A 6 -3.180 -15.254 0.001 1.00 0.00 C ATOM 97 CG ARG A 6 -1.829 -14.892 0.618 1.00 0.00 C ATOM 98 CD ARG A 6 -1.638 -15.553 1.981 1.00 0.00 C ATOM 99 NE ARG A 6 -1.807 -17.010 1.905 1.00 0.00 N ATOM 100 CZ ARG A 6 -1.969 -17.809 2.963 1.00 0.00 C ATOM 101 NH1 ARG A 6 -1.894 -17.324 4.195 1.00 0.00 N ATOM 102 NH2 ARG A 6 -2.183 -19.105 2.783 1.00 0.00 N ATOM 0 H ARG A 6 -4.003 -12.863 -0.585 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.532 -14.968 -2.020 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.974 -14.887 0.651 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.273 -16.339 -0.034 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.027 -15.202 -0.053 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.755 -13.810 0.724 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.643 -15.321 2.362 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.355 -15.140 2.690 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.800 -17.441 0.981 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.711 -16.331 4.342 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.019 -17.944 4.996 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.223 -19.489 1.839 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.307 -19.718 3.589 1.00 0.00 H new ATOM 116 N LYS A 7 -4.471 -16.196 -2.976 1.00 0.00 N ATOM 117 CA LYS A 7 -5.577 -16.753 -3.743 1.00 0.00 C ATOM 118 C LYS A 7 -5.638 -18.268 -3.593 1.00 0.00 C ATOM 119 O LYS A 7 -4.701 -18.976 -3.961 1.00 0.00 O ATOM 120 CB LYS A 7 -5.430 -16.387 -5.228 1.00 0.00 C ATOM 121 CG LYS A 7 -5.475 -14.886 -5.514 1.00 0.00 C ATOM 122 CD LYS A 7 -6.796 -14.255 -5.083 1.00 0.00 C ATOM 123 CE LYS A 7 -8.004 -14.936 -5.728 1.00 0.00 C ATOM 124 NZ LYS A 7 -7.960 -14.888 -7.213 1.00 0.00 N ATOM 0 H LYS A 7 -3.556 -16.568 -3.232 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.503 -16.328 -3.355 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.486 -16.787 -5.597 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.225 -16.876 -5.791 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.653 -14.394 -4.994 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.324 -14.717 -6.580 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.886 -14.312 -3.998 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.794 -13.198 -5.347 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.047 -15.975 -5.403 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.917 -14.454 -5.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.926 -14.957 -7.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.532 -13.991 -7.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.391 -15.682 -7.569 1.00 0.00 H new ATOM 138 N THR A 8 -6.749 -18.757 -3.053 1.00 0.00 N ATOM 139 CA THR A 8 -6.991 -20.189 -2.931 1.00 0.00 C ATOM 140 C THR A 8 -8.409 -20.504 -3.401 1.00 0.00 C ATOM 141 O THR A 8 -9.223 -19.592 -3.581 1.00 0.00 O ATOM 142 CB THR A 8 -6.810 -20.681 -1.471 1.00 0.00 C ATOM 143 OG1 THR A 8 -7.705 -19.975 -0.599 1.00 0.00 O ATOM 144 CG2 THR A 8 -5.373 -20.492 -0.991 1.00 0.00 C ATOM 0 H THR A 8 -7.503 -18.175 -2.689 1.00 0.00 H new ATOM 0 HA THR A 8 -6.261 -20.708 -3.552 1.00 0.00 H new ATOM 0 HB THR A 8 -7.039 -21.746 -1.449 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.159 -19.266 -1.101 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.283 -20.847 0.036 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.698 -21.059 -1.632 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.111 -19.435 -1.033 1.00 0.00 H new ATOM 152 N ALA A 9 -8.703 -21.783 -3.610 1.00 0.00 N ATOM 153 CA ALA A 9 -10.044 -22.210 -3.997 1.00 0.00 C ATOM 154 C ALA A 9 -10.948 -22.284 -2.769 1.00 0.00 C ATOM 155 O ALA A 9 -12.170 -22.180 -2.872 1.00 0.00 O ATOM 156 CB ALA A 9 -9.988 -23.560 -4.707 1.00 0.00 C ATOM 0 H ALA A 9 -8.030 -22.544 -3.518 1.00 0.00 H new ATOM 0 HA ALA A 9 -10.460 -21.477 -4.689 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.996 -23.865 -4.989 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.371 -23.475 -5.601 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.558 -24.305 -4.038 1.00 0.00 H new ATOM 162 N THR A 10 -10.328 -22.460 -1.604 1.00 0.00 N ATOM 163 CA THR A 10 -11.056 -22.567 -0.345 1.00 0.00 C ATOM 164 C THR A 10 -11.551 -21.196 0.129 1.00 0.00 C ATOM 165 O THR A 10 -12.606 -21.090 0.763 1.00 0.00 O ATOM 166 CB THR A 10 -10.168 -23.208 0.746 1.00 0.00 C ATOM 167 OG1 THR A 10 -9.556 -24.402 0.227 1.00 0.00 O ATOM 168 CG2 THR A 10 -10.979 -23.556 1.992 1.00 0.00 C ATOM 0 H THR A 10 -9.315 -22.532 -1.508 1.00 0.00 H new ATOM 0 HA THR A 10 -11.922 -23.205 -0.520 1.00 0.00 H new ATOM 0 HB THR A 10 -9.403 -22.485 1.028 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.992 -24.807 0.918 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.324 -24.005 2.739 1.00 0.00 H new ATOM 0 HG22 THR A 10 -11.427 -22.650 2.400 1.00 0.00 H new ATOM 0 HG23 THR A 10 -11.766 -24.262 1.728 1.00 0.00 H new ATOM 176 N GLY A 11 -10.795 -20.145 -0.184 1.00 0.00 N ATOM 177 CA GLY A 11 -11.184 -18.805 0.219 1.00 0.00 C ATOM 178 C GLY A 11 -10.243 -17.737 -0.306 1.00 0.00 C ATOM 179 O GLY A 11 -9.388 -18.004 -1.157 1.00 0.00 O ATOM 0 H GLY A 11 -9.922 -20.198 -0.709 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -12.193 -18.601 -0.139 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -11.215 -18.752 1.307 1.00 0.00 H new ATOM 183 N HIS A 12 -10.401 -16.523 0.206 1.00 0.00 N ATOM 184 CA HIS A 12 -9.578 -15.388 -0.197 1.00 0.00 C ATOM 185 C HIS A 12 -8.857 -14.814 1.020 1.00 0.00 C ATOM 186 O HIS A 12 -9.421 -14.761 2.113 1.00 0.00 O ATOM 187 CB HIS A 12 -10.454 -14.305 -0.847 1.00 0.00 C ATOM 188 CG HIS A 12 -11.262 -14.788 -2.015 1.00 0.00 C ATOM 189 ND1 HIS A 12 -10.894 -15.086 -3.284 1.00 0.00 N flip ATOM 190 CD2 HIS A 12 -12.622 -15.005 -1.953 1.00 0.00 C flip ATOM 191 CE1 HIS A 12 -12.026 -15.475 -3.953 1.00 0.00 C flip ATOM 192 NE2 HIS A 12 -13.054 -15.418 -3.130 1.00 0.00 N flip ATOM 0 H HIS A 12 -11.102 -16.297 0.911 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.839 -15.726 -0.924 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -11.130 -13.900 -0.094 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.815 -13.485 -1.175 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -13.238 -14.860 -1.078 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -12.068 -15.779 -4.988 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -14.019 -15.653 -3.363 1.00 0.00 H new ATOM 201 N SER A 13 -7.610 -14.395 0.834 1.00 0.00 N ATOM 202 CA SER A 13 -6.823 -13.808 1.915 1.00 0.00 C ATOM 203 C SER A 13 -5.955 -12.676 1.373 1.00 0.00 C ATOM 204 O SER A 13 -5.688 -12.618 0.172 1.00 0.00 O ATOM 205 CB SER A 13 -5.948 -14.885 2.570 1.00 0.00 C ATOM 206 OG SER A 13 -6.722 -16.013 2.943 1.00 0.00 O ATOM 0 H SER A 13 -7.120 -14.451 -0.059 1.00 0.00 H new ATOM 0 HA SER A 13 -7.498 -13.401 2.667 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.163 -15.191 1.878 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.454 -14.472 3.449 1.00 0.00 H new ATOM 0 HG SER A 13 -6.142 -16.686 3.357 1.00 0.00 H new ATOM 212 N ALA A 14 -5.521 -11.778 2.248 1.00 0.00 N ATOM 213 CA ALA A 14 -4.677 -10.659 1.840 1.00 0.00 C ATOM 214 C ALA A 14 -3.591 -10.394 2.875 1.00 0.00 C ATOM 215 O ALA A 14 -3.849 -10.442 4.080 1.00 0.00 O ATOM 216 CB ALA A 14 -5.518 -9.406 1.618 1.00 0.00 C ATOM 0 H ALA A 14 -5.738 -11.801 3.244 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.195 -10.924 0.899 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.871 -8.583 1.314 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.255 -9.596 0.837 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.030 -9.143 2.544 1.00 0.00 H new ATOM 222 N TYR A 15 -2.381 -10.127 2.395 1.00 0.00 N ATOM 223 CA TYR A 15 -1.255 -9.793 3.259 1.00 0.00 C ATOM 224 C TYR A 15 -0.876 -8.326 3.060 1.00 0.00 C ATOM 225 O TYR A 15 -0.266 -7.956 2.051 1.00 0.00 O ATOM 226 CB TYR A 15 -0.057 -10.707 2.953 1.00 0.00 C ATOM 227 CG TYR A 15 1.114 -10.529 3.905 1.00 0.00 C ATOM 228 CD1 TYR A 15 1.139 -11.180 5.135 1.00 0.00 C ATOM 229 CD2 TYR A 15 2.196 -9.717 3.573 1.00 0.00 C ATOM 230 CE1 TYR A 15 2.201 -11.026 6.004 1.00 0.00 C ATOM 231 CE2 TYR A 15 3.263 -9.560 4.440 1.00 0.00 C ATOM 232 CZ TYR A 15 3.261 -10.218 5.652 1.00 0.00 C ATOM 233 OH TYR A 15 4.323 -10.070 6.518 1.00 0.00 O ATOM 0 H TYR A 15 -2.154 -10.136 1.401 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.543 -9.947 4.299 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.387 -11.745 2.989 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.283 -10.515 1.935 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.313 -11.817 5.415 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.202 -9.202 2.624 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.201 -11.537 6.956 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.094 -8.925 4.169 1.00 0.00 H new ATOM 0 HH TYR A 15 4.480 -9.117 6.684 1.00 0.00 H new ATOM 243 N VAL A 16 -1.265 -7.496 4.016 1.00 0.00 N ATOM 244 CA VAL A 16 -0.987 -6.067 3.975 1.00 0.00 C ATOM 245 C VAL A 16 0.369 -5.780 4.616 1.00 0.00 C ATOM 246 O VAL A 16 0.470 -5.667 5.837 1.00 0.00 O ATOM 247 CB VAL A 16 -2.088 -5.266 4.718 1.00 0.00 C ATOM 248 CG1 VAL A 16 -1.862 -3.761 4.583 1.00 0.00 C ATOM 249 CG2 VAL A 16 -3.475 -5.658 4.211 1.00 0.00 C ATOM 0 H VAL A 16 -1.783 -7.794 4.843 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.973 -5.755 2.931 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.029 -5.516 5.777 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.649 -3.226 5.114 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.894 -3.499 5.009 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.881 -3.483 3.529 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.233 -5.085 4.745 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.545 -5.447 3.144 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.638 -6.722 4.382 1.00 0.00 H new ATOM 259 N ALA A 17 1.407 -5.673 3.787 1.00 0.00 N ATOM 260 CA ALA A 17 2.773 -5.452 4.273 1.00 0.00 C ATOM 261 C ALA A 17 2.872 -4.175 5.107 1.00 0.00 C ATOM 262 O ALA A 17 3.730 -4.057 5.982 1.00 0.00 O ATOM 263 CB ALA A 17 3.747 -5.399 3.105 1.00 0.00 C ATOM 0 H ALA A 17 1.330 -5.736 2.772 1.00 0.00 H new ATOM 0 HA ALA A 17 3.037 -6.290 4.918 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.757 -5.234 3.481 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.712 -6.342 2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.471 -4.583 2.438 1.00 0.00 H new ATOM 269 N LYS A 18 1.971 -3.232 4.832 1.00 0.00 N ATOM 270 CA LYS A 18 1.904 -1.963 5.561 1.00 0.00 C ATOM 271 C LYS A 18 1.767 -2.199 7.072 1.00 0.00 C ATOM 272 O LYS A 18 2.178 -1.370 7.884 1.00 0.00 O ATOM 273 CB LYS A 18 0.721 -1.133 5.031 1.00 0.00 C ATOM 274 CG LYS A 18 0.529 0.214 5.722 1.00 0.00 C ATOM 275 CD LYS A 18 1.740 1.133 5.549 1.00 0.00 C ATOM 276 CE LYS A 18 1.969 1.521 4.088 1.00 0.00 C ATOM 277 NZ LYS A 18 3.087 2.491 3.937 1.00 0.00 N ATOM 0 H LYS A 18 1.268 -3.325 4.099 1.00 0.00 H new ATOM 0 HA LYS A 18 2.832 -1.414 5.399 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.864 -0.962 3.964 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.193 -1.716 5.141 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.357 0.704 5.318 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.347 0.052 6.784 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.597 2.035 6.144 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.630 0.635 5.934 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.185 0.626 3.505 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.056 1.954 3.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.208 2.727 2.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.871 3.356 4.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.965 2.069 4.302 1.00 0.00 H new ATOM 291 N LYS A 19 1.194 -3.341 7.432 1.00 0.00 N ATOM 292 CA LYS A 19 1.015 -3.728 8.833 1.00 0.00 C ATOM 293 C LYS A 19 1.451 -5.185 9.045 1.00 0.00 C ATOM 294 O LYS A 19 1.405 -5.706 10.161 1.00 0.00 O ATOM 295 CB LYS A 19 -0.463 -3.524 9.230 1.00 0.00 C ATOM 296 CG LYS A 19 -0.831 -4.029 10.625 1.00 0.00 C ATOM 297 CD LYS A 19 -2.280 -3.706 10.986 1.00 0.00 C ATOM 298 CE LYS A 19 -2.467 -2.227 11.312 1.00 0.00 C ATOM 299 NZ LYS A 19 -1.768 -1.847 12.568 1.00 0.00 N ATOM 0 H LYS A 19 0.840 -4.026 6.765 1.00 0.00 H new ATOM 0 HA LYS A 19 1.640 -3.102 9.470 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.696 -2.461 9.171 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.093 -4.030 8.499 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.677 -5.107 10.673 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.165 -3.579 11.361 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.931 -3.980 10.156 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.584 -4.308 11.842 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.089 -1.622 10.488 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.530 -2.007 11.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.140 -0.939 12.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.926 -2.580 13.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.748 -1.756 12.384 1.00 0.00 H new ATOM 313 N ASP A 20 1.906 -5.826 7.963 1.00 0.00 N ATOM 314 CA ASP A 20 2.216 -7.263 7.968 1.00 0.00 C ATOM 315 C ASP A 20 0.978 -8.057 8.373 1.00 0.00 C ATOM 316 O ASP A 20 1.070 -9.160 8.915 1.00 0.00 O ATOM 317 CB ASP A 20 3.400 -7.582 8.900 1.00 0.00 C ATOM 318 CG ASP A 20 4.713 -6.998 8.399 1.00 0.00 C ATOM 319 OD1 ASP A 20 5.205 -7.446 7.342 1.00 0.00 O ATOM 320 OD2 ASP A 20 5.268 -6.093 9.061 1.00 0.00 O ATOM 0 H ASP A 20 2.069 -5.370 7.066 1.00 0.00 H new ATOM 0 HA ASP A 20 2.511 -7.554 6.960 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.189 -7.191 9.896 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.501 -8.663 8.996 1.00 0.00 H new ATOM 325 N LEU A 21 -0.184 -7.485 8.071 1.00 0.00 N ATOM 326 CA LEU A 21 -1.466 -8.051 8.472 1.00 0.00 C ATOM 327 C LEU A 21 -1.952 -9.077 7.456 1.00 0.00 C ATOM 328 O LEU A 21 -2.131 -8.757 6.282 1.00 0.00 O ATOM 329 CB LEU A 21 -2.508 -6.929 8.612 1.00 0.00 C ATOM 330 CG LEU A 21 -3.943 -7.398 8.904 1.00 0.00 C ATOM 331 CD1 LEU A 21 -4.005 -8.154 10.227 1.00 0.00 C ATOM 332 CD2 LEU A 21 -4.910 -6.214 8.905 1.00 0.00 C ATOM 0 H LEU A 21 -0.262 -6.617 7.542 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.334 -8.552 9.431 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.192 -6.260 9.412 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.514 -6.345 7.692 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.247 -8.081 8.111 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.029 -8.477 10.414 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.353 -9.026 10.179 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.677 -7.500 11.035 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.919 -6.569 9.114 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.610 -5.500 9.672 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.891 -5.728 7.930 1.00 0.00 H new ATOM 344 N GLU A 22 -2.159 -10.306 7.909 1.00 0.00 N ATOM 345 CA GLU A 22 -2.761 -11.341 7.081 1.00 0.00 C ATOM 346 C GLU A 22 -4.132 -11.703 7.637 1.00 0.00 C ATOM 347 O GLU A 22 -4.242 -12.207 8.757 1.00 0.00 O ATOM 348 CB GLU A 22 -1.875 -12.590 7.027 1.00 0.00 C ATOM 349 CG GLU A 22 -2.443 -13.690 6.137 1.00 0.00 C ATOM 350 CD GLU A 22 -1.608 -14.954 6.156 1.00 0.00 C ATOM 351 OE1 GLU A 22 -0.669 -15.064 5.344 1.00 0.00 O ATOM 352 OE2 GLU A 22 -1.890 -15.850 6.977 1.00 0.00 O ATOM 0 H GLU A 22 -1.917 -10.611 8.852 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.864 -10.955 6.067 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.886 -12.311 6.663 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.745 -12.979 8.037 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.457 -13.925 6.461 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.513 -13.322 5.113 1.00 0.00 H new ATOM 359 N GLU A 23 -5.174 -11.439 6.861 1.00 0.00 N ATOM 360 CA GLU A 23 -6.541 -11.719 7.287 1.00 0.00 C ATOM 361 C GLU A 23 -7.346 -12.289 6.125 1.00 0.00 C ATOM 362 O GLU A 23 -6.960 -12.155 4.957 1.00 0.00 O ATOM 363 CB GLU A 23 -7.202 -10.438 7.827 1.00 0.00 C ATOM 364 CG GLU A 23 -8.556 -10.654 8.499 1.00 0.00 C ATOM 365 CD GLU A 23 -8.496 -11.632 9.659 1.00 0.00 C ATOM 366 OE1 GLU A 23 -8.215 -11.199 10.796 1.00 0.00 O ATOM 367 OE2 GLU A 23 -8.733 -12.837 9.436 1.00 0.00 O ATOM 0 H GLU A 23 -5.100 -11.030 5.930 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.518 -12.459 8.087 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.526 -9.971 8.544 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.328 -9.735 7.003 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.934 -9.697 8.858 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.268 -11.020 7.759 1.00 0.00 H new ATOM 374 N LEU A 24 -8.461 -12.931 6.453 1.00 0.00 N ATOM 375 CA LEU A 24 -9.346 -13.512 5.454 1.00 0.00 C ATOM 376 C LEU A 24 -10.243 -12.434 4.849 1.00 0.00 C ATOM 377 O LEU A 24 -10.693 -11.524 5.550 1.00 0.00 O ATOM 378 CB LEU A 24 -10.202 -14.624 6.081 1.00 0.00 C ATOM 379 CG LEU A 24 -9.414 -15.781 6.721 1.00 0.00 C ATOM 380 CD1 LEU A 24 -10.363 -16.811 7.332 1.00 0.00 C ATOM 381 CD2 LEU A 24 -8.490 -16.440 5.696 1.00 0.00 C ATOM 0 H LEU A 24 -8.775 -13.062 7.415 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.737 -13.945 4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.844 -14.180 6.841 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.856 -15.034 5.311 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.798 -15.369 7.520 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.784 -17.619 7.778 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.972 -16.334 8.100 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.011 -17.215 6.554 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.943 -17.255 6.170 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.084 -16.833 4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.784 -15.702 5.315 1.00 0.00 H new ATOM 393 N ILE A 25 -10.484 -12.532 3.549 1.00 0.00 N ATOM 394 CA ILE A 25 -11.354 -11.594 2.846 1.00 0.00 C ATOM 395 C ILE A 25 -12.812 -12.029 2.975 1.00 0.00 C ATOM 396 O ILE A 25 -13.177 -13.130 2.559 1.00 0.00 O ATOM 397 CB ILE A 25 -10.970 -11.494 1.349 1.00 0.00 C ATOM 398 CG1 ILE A 25 -9.564 -10.882 1.198 1.00 0.00 C ATOM 399 CG2 ILE A 25 -12.008 -10.685 0.570 1.00 0.00 C ATOM 400 CD1 ILE A 25 -9.074 -10.800 -0.235 1.00 0.00 C ATOM 0 H ILE A 25 -10.086 -13.258 2.954 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.228 -10.612 3.302 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.953 -12.500 0.930 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.568 -9.880 1.627 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.857 -11.475 1.779 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.714 -10.630 -0.478 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.981 -11.169 0.649 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -12.069 -9.678 0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.078 -10.358 -0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.035 -11.801 -0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.757 -10.182 -0.818 1.00 0.00 H new ATOM 412 N VAL A 26 -13.638 -11.164 3.560 1.00 0.00 N ATOM 413 CA VAL A 26 -15.060 -11.457 3.748 1.00 0.00 C ATOM 414 C VAL A 26 -15.920 -10.653 2.772 1.00 0.00 C ATOM 415 O VAL A 26 -17.013 -11.081 2.399 1.00 0.00 O ATOM 416 CB VAL A 26 -15.511 -11.164 5.203 1.00 0.00 C ATOM 417 CG1 VAL A 26 -14.782 -12.080 6.185 1.00 0.00 C ATOM 418 CG2 VAL A 26 -15.286 -9.694 5.560 1.00 0.00 C ATOM 0 H VAL A 26 -13.348 -10.252 3.913 1.00 0.00 H new ATOM 0 HA VAL A 26 -15.197 -12.520 3.549 1.00 0.00 H new ATOM 0 HB VAL A 26 -16.580 -11.366 5.275 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -15.111 -11.860 7.201 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.007 -13.120 5.948 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.707 -11.914 6.108 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -15.610 -9.515 6.585 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.227 -9.455 5.468 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.861 -9.063 4.882 1.00 0.00 H new ATOM 428 N GLU A 27 -15.412 -9.498 2.353 1.00 0.00 N ATOM 429 CA GLU A 27 -16.132 -8.617 1.438 1.00 0.00 C ATOM 430 C GLU A 27 -15.197 -8.146 0.329 1.00 0.00 C ATOM 431 O GLU A 27 -14.014 -7.899 0.568 1.00 0.00 O ATOM 432 CB GLU A 27 -16.705 -7.413 2.206 1.00 0.00 C ATOM 433 CG GLU A 27 -17.385 -6.359 1.331 1.00 0.00 C ATOM 434 CD GLU A 27 -18.678 -6.848 0.695 1.00 0.00 C ATOM 435 OE1 GLU A 27 -18.619 -7.524 -0.351 1.00 0.00 O ATOM 436 OE2 GLU A 27 -19.762 -6.542 1.234 1.00 0.00 O ATOM 0 H GLU A 27 -14.497 -9.148 2.635 1.00 0.00 H new ATOM 0 HA GLU A 27 -16.959 -9.167 0.989 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -17.426 -7.777 2.938 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.897 -6.937 2.762 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.596 -5.477 1.935 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.696 -6.050 0.545 1.00 0.00 H new ATOM 443 N MET A 28 -15.735 -8.026 -0.876 1.00 0.00 N ATOM 444 CA MET A 28 -14.967 -7.617 -2.049 1.00 0.00 C ATOM 445 C MET A 28 -15.857 -6.823 -3.000 1.00 0.00 C ATOM 446 O MET A 28 -17.081 -6.941 -2.954 1.00 0.00 O ATOM 447 CB MET A 28 -14.361 -8.844 -2.760 1.00 0.00 C ATOM 448 CG MET A 28 -15.191 -10.119 -2.622 1.00 0.00 C ATOM 449 SD MET A 28 -16.918 -9.903 -3.097 1.00 0.00 S ATOM 450 CE MET A 28 -17.589 -11.509 -2.669 1.00 0.00 C ATOM 0 H MET A 28 -16.719 -8.209 -1.071 1.00 0.00 H new ATOM 0 HA MET A 28 -14.144 -6.979 -1.726 1.00 0.00 H new ATOM 0 HB2 MET A 28 -14.241 -8.614 -3.819 1.00 0.00 H new ATOM 0 HB3 MET A 28 -13.364 -9.027 -2.359 1.00 0.00 H new ATOM 0 HG2 MET A 28 -14.747 -10.901 -3.238 1.00 0.00 H new ATOM 0 HG3 MET A 28 -15.146 -10.463 -1.589 1.00 0.00 H new ATOM 0 HE1 MET A 28 -18.588 -11.611 -3.094 1.00 0.00 H new ATOM 0 HE2 MET A 28 -16.943 -12.291 -3.068 1.00 0.00 H new ATOM 0 HE3 MET A 28 -17.645 -11.603 -1.584 1.00 0.00 H new ATOM 460 N GLU A 29 -15.244 -6.002 -3.849 1.00 0.00 N ATOM 461 CA GLU A 29 -15.995 -5.157 -4.775 1.00 0.00 C ATOM 462 C GLU A 29 -16.772 -6.004 -5.782 1.00 0.00 C ATOM 463 O GLU A 29 -17.902 -5.675 -6.145 1.00 0.00 O ATOM 464 CB GLU A 29 -15.051 -4.188 -5.499 1.00 0.00 C ATOM 465 CG GLU A 29 -15.765 -3.194 -6.413 1.00 0.00 C ATOM 466 CD GLU A 29 -16.780 -2.337 -5.669 1.00 0.00 C ATOM 467 OE1 GLU A 29 -16.383 -1.318 -5.063 1.00 0.00 O ATOM 468 OE2 GLU A 29 -17.979 -2.679 -5.680 1.00 0.00 O ATOM 0 H GLU A 29 -14.231 -5.904 -3.915 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.715 -4.576 -4.198 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.475 -3.635 -4.757 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.339 -4.764 -6.091 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.027 -2.547 -6.887 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -16.270 -3.738 -7.211 1.00 0.00 H new ATOM 475 N ASN A 30 -16.165 -7.100 -6.224 1.00 0.00 N ATOM 476 CA ASN A 30 -16.815 -8.022 -7.154 1.00 0.00 C ATOM 477 C ASN A 30 -16.788 -9.437 -6.578 1.00 0.00 C ATOM 478 O ASN A 30 -15.847 -9.788 -5.868 1.00 0.00 O ATOM 479 CB ASN A 30 -16.128 -7.991 -8.532 1.00 0.00 C ATOM 480 CG ASN A 30 -16.232 -6.641 -9.237 1.00 0.00 C ATOM 481 OD1 ASN A 30 -15.365 -6.278 -10.032 1.00 0.00 O ATOM 482 ND2 ASN A 30 -17.287 -5.884 -8.961 1.00 0.00 N ATOM 0 H ASN A 30 -15.221 -7.374 -5.953 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.850 -7.708 -7.289 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -15.076 -8.247 -8.410 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -16.571 -8.758 -9.167 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -17.395 -4.976 -9.412 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -17.990 -6.211 -8.298 1.00 0.00 H new ATOM 489 N PRO A 31 -17.813 -10.267 -6.892 1.00 0.00 N ATOM 490 CA PRO A 31 -17.994 -11.605 -6.301 1.00 0.00 C ATOM 491 C PRO A 31 -16.706 -12.436 -6.256 1.00 0.00 C ATOM 492 O PRO A 31 -16.517 -13.249 -5.347 1.00 0.00 O ATOM 493 CB PRO A 31 -19.049 -12.277 -7.207 1.00 0.00 C ATOM 494 CG PRO A 31 -19.271 -11.333 -8.349 1.00 0.00 C ATOM 495 CD PRO A 31 -18.888 -9.968 -7.849 1.00 0.00 C ATOM 0 HA PRO A 31 -18.299 -11.530 -5.257 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -18.698 -13.245 -7.563 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -19.976 -12.455 -6.662 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.666 -11.616 -9.210 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -20.312 -11.351 -8.671 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -18.544 -9.322 -8.657 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -19.727 -9.461 -7.371 1.00 0.00 H new ATOM 503 N ALA A 32 -15.833 -12.245 -7.243 1.00 0.00 N ATOM 504 CA ALA A 32 -14.541 -12.925 -7.256 1.00 0.00 C ATOM 505 C ALA A 32 -13.612 -12.302 -6.217 1.00 0.00 C ATOM 506 O ALA A 32 -13.310 -12.920 -5.192 1.00 0.00 O ATOM 507 CB ALA A 32 -13.908 -12.865 -8.642 1.00 0.00 C ATOM 0 H ALA A 32 -15.996 -11.629 -8.039 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.700 -13.973 -7.004 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -12.947 -13.378 -8.625 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.566 -13.349 -9.364 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -13.759 -11.824 -8.929 1.00 0.00 H new ATOM 513 N LEU A 33 -13.185 -11.068 -6.491 1.00 0.00 N ATOM 514 CA LEU A 33 -12.281 -10.334 -5.610 1.00 0.00 C ATOM 515 C LEU A 33 -11.910 -9.004 -6.263 1.00 0.00 C ATOM 516 O LEU A 33 -12.296 -7.932 -5.793 1.00 0.00 O ATOM 517 CB LEU A 33 -11.005 -11.161 -5.330 1.00 0.00 C ATOM 518 CG LEU A 33 -10.260 -10.838 -4.017 1.00 0.00 C ATOM 519 CD1 LEU A 33 -9.127 -11.833 -3.786 1.00 0.00 C ATOM 520 CD2 LEU A 33 -9.712 -9.410 -4.014 1.00 0.00 C ATOM 0 H LEU A 33 -13.456 -10.552 -7.328 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.783 -10.148 -4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.276 -12.217 -5.320 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.314 -11.017 -6.161 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.981 -10.922 -3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.613 -11.590 -2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.536 -12.841 -3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.421 -11.780 -4.615 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.195 -9.221 -3.073 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.015 -9.286 -4.843 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.535 -8.704 -4.123 1.00 0.00 H new ATOM 532 N TRP A 34 -11.175 -9.098 -7.368 1.00 0.00 N ATOM 533 CA TRP A 34 -10.653 -7.928 -8.064 1.00 0.00 C ATOM 534 C TRP A 34 -11.766 -7.154 -8.757 1.00 0.00 C ATOM 535 O TRP A 34 -12.807 -7.718 -9.106 1.00 0.00 O ATOM 536 CB TRP A 34 -9.591 -8.357 -9.081 1.00 0.00 C ATOM 537 CG TRP A 34 -8.440 -9.078 -8.446 1.00 0.00 C ATOM 538 CD1 TRP A 34 -8.328 -10.423 -8.236 1.00 0.00 C ATOM 539 CD2 TRP A 34 -7.243 -8.490 -7.925 1.00 0.00 C ATOM 540 NE1 TRP A 34 -7.137 -10.705 -7.616 1.00 0.00 N ATOM 541 CE2 TRP A 34 -6.454 -9.536 -7.416 1.00 0.00 C ATOM 542 CE3 TRP A 34 -6.763 -7.181 -7.841 1.00 0.00 C ATOM 543 CZ2 TRP A 34 -5.213 -9.314 -6.832 1.00 0.00 C ATOM 544 CZ3 TRP A 34 -5.529 -6.963 -7.263 1.00 0.00 C ATOM 545 CH2 TRP A 34 -4.767 -8.023 -6.764 1.00 0.00 C ATOM 0 H TRP A 34 -10.926 -9.986 -7.804 1.00 0.00 H new ATOM 0 HA TRP A 34 -10.198 -7.268 -7.326 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -10.050 -9.003 -9.830 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -9.219 -7.477 -9.605 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -9.069 -11.157 -8.517 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -6.813 -11.634 -7.348 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -7.346 -6.355 -8.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -4.622 -10.131 -6.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -5.145 -5.956 -7.195 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -3.806 -7.818 -6.315 1.00 0.00 H new ATOM 556 N GLY A 35 -11.528 -5.863 -8.961 1.00 0.00 N ATOM 557 CA GLY A 35 -12.526 -4.994 -9.553 1.00 0.00 C ATOM 558 C GLY A 35 -12.748 -3.745 -8.726 1.00 0.00 C ATOM 559 O GLY A 35 -13.575 -2.900 -9.071 1.00 0.00 O ATOM 0 H GLY A 35 -10.651 -5.400 -8.723 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.212 -4.713 -10.558 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.467 -5.536 -9.652 1.00 0.00 H new ATOM 563 N GLY A 36 -12.010 -3.631 -7.626 1.00 0.00 N ATOM 564 CA GLY A 36 -12.129 -2.474 -6.759 1.00 0.00 C ATOM 565 C GLY A 36 -11.701 -2.770 -5.334 1.00 0.00 C ATOM 566 O GLY A 36 -10.742 -3.503 -5.107 1.00 0.00 O ATOM 0 H GLY A 36 -11.328 -4.324 -7.319 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.520 -1.662 -7.157 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.163 -2.128 -6.760 1.00 0.00 H new ATOM 570 N LYS A 37 -12.436 -2.212 -4.383 1.00 0.00 N ATOM 571 CA LYS A 37 -12.095 -2.301 -2.962 1.00 0.00 C ATOM 572 C LYS A 37 -12.314 -3.709 -2.400 1.00 0.00 C ATOM 573 O LYS A 37 -12.974 -4.551 -3.018 1.00 0.00 O ATOM 574 CB LYS A 37 -12.918 -1.266 -2.168 1.00 0.00 C ATOM 575 CG LYS A 37 -14.432 -1.364 -2.385 1.00 0.00 C ATOM 576 CD LYS A 37 -15.098 -2.409 -1.486 1.00 0.00 C ATOM 577 CE LYS A 37 -16.516 -2.736 -1.944 1.00 0.00 C ATOM 578 NZ LYS A 37 -17.350 -1.518 -2.122 1.00 0.00 N ATOM 0 H LYS A 37 -13.288 -1.683 -4.570 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.032 -2.082 -2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.706 -1.388 -1.106 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.587 -0.265 -2.446 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.884 -0.390 -2.198 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.629 -1.611 -3.428 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.499 -3.320 -1.483 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.124 -2.041 -0.460 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -16.473 -3.284 -2.885 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -16.988 -3.393 -1.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -18.346 -1.748 -1.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -17.032 -0.780 -1.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -17.257 -1.173 -3.099 1.00 0.00 H new ATOM 592 N VAL A 38 -11.765 -3.939 -1.212 1.00 0.00 N ATOM 593 CA VAL A 38 -11.907 -5.207 -0.503 1.00 0.00 C ATOM 594 C VAL A 38 -11.999 -4.934 0.998 1.00 0.00 C ATOM 595 O VAL A 38 -11.664 -3.836 1.451 1.00 0.00 O ATOM 596 CB VAL A 38 -10.700 -6.144 -0.787 1.00 0.00 C ATOM 597 CG1 VAL A 38 -9.455 -5.695 -0.017 1.00 0.00 C ATOM 598 CG2 VAL A 38 -11.043 -7.596 -0.469 1.00 0.00 C ATOM 0 H VAL A 38 -11.206 -3.248 -0.711 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.813 -5.702 -0.852 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.476 -6.078 -1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.628 -6.370 -0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.186 -4.682 -0.318 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.663 -5.712 1.053 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.180 -8.228 -0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.312 -7.684 0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.883 -7.915 -1.086 1.00 0.00 H new ATOM 608 N THR A 39 -12.461 -5.912 1.767 1.00 0.00 N ATOM 609 CA THR A 39 -12.512 -5.786 3.220 1.00 0.00 C ATOM 610 C THR A 39 -12.159 -7.115 3.888 1.00 0.00 C ATOM 611 O THR A 39 -12.748 -8.159 3.581 1.00 0.00 O ATOM 612 CB THR A 39 -13.904 -5.318 3.705 1.00 0.00 C ATOM 613 OG1 THR A 39 -14.284 -4.106 3.029 1.00 0.00 O ATOM 614 CG2 THR A 39 -13.913 -5.079 5.213 1.00 0.00 C ATOM 0 H THR A 39 -12.806 -6.803 1.409 1.00 0.00 H new ATOM 0 HA THR A 39 -11.779 -5.031 3.503 1.00 0.00 H new ATOM 0 HB THR A 39 -14.619 -6.108 3.473 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.224 -3.906 3.220 1.00 0.00 H new ATOM 0 HG21 THR A 39 -14.905 -4.751 5.523 1.00 0.00 H new ATOM 0 HG22 THR A 39 -13.659 -6.004 5.730 1.00 0.00 H new ATOM 0 HG23 THR A 39 -13.182 -4.311 5.464 1.00 0.00 H new ATOM 622 N LEU A 40 -11.180 -7.066 4.787 1.00 0.00 N ATOM 623 CA LEU A 40 -10.757 -8.234 5.548 1.00 0.00 C ATOM 624 C LEU A 40 -11.726 -8.503 6.694 1.00 0.00 C ATOM 625 O LEU A 40 -12.561 -7.657 7.020 1.00 0.00 O ATOM 626 CB LEU A 40 -9.333 -8.034 6.098 1.00 0.00 C ATOM 627 CG LEU A 40 -8.200 -8.044 5.053 1.00 0.00 C ATOM 628 CD1 LEU A 40 -8.279 -9.296 4.186 1.00 0.00 C ATOM 629 CD2 LEU A 40 -8.225 -6.785 4.191 1.00 0.00 C ATOM 0 H LEU A 40 -10.660 -6.217 5.007 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.756 -9.095 4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.301 -7.084 6.632 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.133 -8.817 6.829 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.252 -8.056 5.591 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.471 -9.284 3.455 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.186 -10.181 4.815 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.237 -9.319 3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.413 -6.825 3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.178 -6.722 3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.102 -5.907 4.825 1.00 0.00 H new ATOM 641 N ALA A 41 -11.591 -9.670 7.318 1.00 0.00 N ATOM 642 CA ALA A 41 -12.480 -10.080 8.407 1.00 0.00 C ATOM 643 C ALA A 41 -12.386 -9.125 9.600 1.00 0.00 C ATOM 644 O ALA A 41 -13.306 -9.042 10.413 1.00 0.00 O ATOM 645 CB ALA A 41 -12.158 -11.507 8.839 1.00 0.00 C ATOM 0 H ALA A 41 -10.870 -10.354 7.088 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.504 -10.043 8.036 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.825 -11.801 9.649 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.293 -12.182 7.994 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.125 -11.559 9.183 1.00 0.00 H new ATOM 651 N ASN A 42 -11.267 -8.410 9.692 1.00 0.00 N ATOM 652 CA ASN A 42 -11.039 -7.455 10.782 1.00 0.00 C ATOM 653 C ASN A 42 -11.694 -6.103 10.477 1.00 0.00 C ATOM 654 O ASN A 42 -11.848 -5.260 11.362 1.00 0.00 O ATOM 655 CB ASN A 42 -9.530 -7.273 11.013 1.00 0.00 C ATOM 656 CG ASN A 42 -9.211 -6.354 12.186 1.00 0.00 C ATOM 657 OD1 ASN A 42 -9.962 -6.277 13.159 1.00 0.00 O ATOM 658 ND2 ASN A 42 -8.088 -5.654 12.104 1.00 0.00 N ATOM 0 H ASN A 42 -10.499 -8.472 9.023 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.495 -7.855 11.688 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.075 -8.248 11.189 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.076 -6.868 10.108 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.822 -5.026 12.863 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.490 -5.743 11.282 1.00 0.00 H new ATOM 665 N GLY A 43 -12.089 -5.903 9.223 1.00 0.00 N ATOM 666 CA GLY A 43 -12.692 -4.640 8.815 1.00 0.00 C ATOM 667 C GLY A 43 -11.717 -3.742 8.071 1.00 0.00 C ATOM 668 O GLY A 43 -12.089 -2.667 7.590 1.00 0.00 O ATOM 0 H GLY A 43 -12.003 -6.594 8.478 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.553 -4.842 8.178 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -13.063 -4.117 9.696 1.00 0.00 H new ATOM 672 N TRP A 44 -10.465 -4.187 7.980 1.00 0.00 N ATOM 673 CA TRP A 44 -9.426 -3.458 7.252 1.00 0.00 C ATOM 674 C TRP A 44 -9.740 -3.473 5.752 1.00 0.00 C ATOM 675 O TRP A 44 -10.135 -4.507 5.216 1.00 0.00 O ATOM 676 CB TRP A 44 -8.057 -4.100 7.531 1.00 0.00 C ATOM 677 CG TRP A 44 -6.890 -3.297 7.034 1.00 0.00 C ATOM 678 CD1 TRP A 44 -6.300 -3.379 5.806 1.00 0.00 C ATOM 679 CD2 TRP A 44 -6.164 -2.298 7.761 1.00 0.00 C ATOM 680 NE1 TRP A 44 -5.260 -2.489 5.720 1.00 0.00 N ATOM 681 CE2 TRP A 44 -5.153 -1.813 6.908 1.00 0.00 C ATOM 682 CE3 TRP A 44 -6.272 -1.763 9.049 1.00 0.00 C ATOM 683 CZ2 TRP A 44 -4.258 -0.823 7.301 1.00 0.00 C ATOM 684 CZ3 TRP A 44 -5.382 -0.779 9.439 1.00 0.00 C ATOM 685 CH2 TRP A 44 -4.386 -0.318 8.567 1.00 0.00 C ATOM 0 H TRP A 44 -10.143 -5.056 8.405 1.00 0.00 H new ATOM 0 HA TRP A 44 -9.398 -2.421 7.588 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -7.950 -4.249 8.605 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -8.029 -5.086 7.068 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -6.608 -4.048 5.016 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.663 -2.352 4.904 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -7.037 -2.112 9.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -3.490 -0.466 6.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.456 -0.359 10.431 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -3.706 0.451 8.901 1.00 0.00 H new ATOM 696 N GLN A 45 -9.579 -2.332 5.083 1.00 0.00 N ATOM 697 CA GLN A 45 -9.964 -2.204 3.674 1.00 0.00 C ATOM 698 C GLN A 45 -8.792 -1.780 2.787 1.00 0.00 C ATOM 699 O GLN A 45 -8.013 -0.895 3.149 1.00 0.00 O ATOM 700 CB GLN A 45 -11.099 -1.181 3.527 1.00 0.00 C ATOM 701 CG GLN A 45 -12.415 -1.614 4.163 1.00 0.00 C ATOM 702 CD GLN A 45 -13.514 -0.576 4.005 1.00 0.00 C ATOM 703 OE1 GLN A 45 -13.253 0.626 3.976 1.00 0.00 O ATOM 704 NE2 GLN A 45 -14.749 -1.032 3.889 1.00 0.00 N ATOM 0 H GLN A 45 -9.186 -1.484 5.491 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.297 -3.189 3.346 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.784 -0.239 3.975 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.266 -0.990 2.467 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -12.740 -2.552 3.713 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.254 -1.808 5.223 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -14.927 -2.036 3.918 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -15.524 -0.380 3.771 1.00 0.00 H new ATOM 713 N LEU A 46 -8.684 -2.424 1.623 1.00 0.00 N ATOM 714 CA LEU A 46 -7.730 -2.030 0.584 1.00 0.00 C ATOM 715 C LEU A 46 -8.484 -1.762 -0.715 1.00 0.00 C ATOM 716 O LEU A 46 -9.573 -2.300 -0.931 1.00 0.00 O ATOM 717 CB LEU A 46 -6.663 -3.115 0.323 1.00 0.00 C ATOM 718 CG LEU A 46 -5.679 -3.406 1.469 1.00 0.00 C ATOM 719 CD1 LEU A 46 -5.088 -2.116 2.035 1.00 0.00 C ATOM 720 CD2 LEU A 46 -6.342 -4.236 2.561 1.00 0.00 C ATOM 0 H LEU A 46 -9.254 -3.232 1.374 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.218 -1.134 0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.176 -4.043 0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.086 -2.821 -0.554 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.856 -3.991 1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.397 -2.356 2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.555 -1.584 1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.890 -1.486 2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.624 -4.427 3.359 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.196 -3.692 2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.681 -5.184 2.143 1.00 0.00 H new ATOM 732 N GLU A 47 -7.912 -0.922 -1.563 1.00 0.00 N ATOM 733 CA GLU A 47 -8.469 -0.639 -2.877 1.00 0.00 C ATOM 734 C GLU A 47 -7.627 -1.336 -3.937 1.00 0.00 C ATOM 735 O GLU A 47 -6.456 -0.999 -4.128 1.00 0.00 O ATOM 736 CB GLU A 47 -8.494 0.872 -3.132 1.00 0.00 C ATOM 737 CG GLU A 47 -9.284 1.274 -4.375 1.00 0.00 C ATOM 738 CD GLU A 47 -9.377 2.780 -4.557 1.00 0.00 C ATOM 739 OE1 GLU A 47 -8.364 3.406 -4.931 1.00 0.00 O ATOM 740 OE2 GLU A 47 -10.470 3.349 -4.326 1.00 0.00 O ATOM 0 H GLU A 47 -7.049 -0.417 -1.360 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.493 -1.010 -2.922 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.923 1.371 -2.263 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.470 1.231 -3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.814 0.835 -5.255 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.290 0.858 -4.310 1.00 0.00 H new ATOM 747 N LEU A 48 -8.214 -2.322 -4.600 1.00 0.00 N ATOM 748 CA LEU A 48 -7.510 -3.091 -5.616 1.00 0.00 C ATOM 749 C LEU A 48 -7.804 -2.532 -7.005 1.00 0.00 C ATOM 750 O LEU A 48 -8.956 -2.220 -7.325 1.00 0.00 O ATOM 751 CB LEU A 48 -7.913 -4.575 -5.557 1.00 0.00 C ATOM 752 CG LEU A 48 -7.437 -5.355 -4.314 1.00 0.00 C ATOM 753 CD1 LEU A 48 -5.926 -5.230 -4.138 1.00 0.00 C ATOM 754 CD2 LEU A 48 -8.168 -4.891 -3.060 1.00 0.00 C ATOM 0 H LEU A 48 -9.181 -2.609 -4.451 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.441 -3.012 -5.418 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.000 -4.638 -5.607 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.523 -5.073 -6.445 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.675 -6.407 -4.470 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.615 -5.788 -3.255 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.423 -5.632 -5.017 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.660 -4.180 -4.016 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.812 -5.458 -2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.977 -3.830 -2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.239 -5.052 -3.183 1.00 0.00 H new ATOM 766 N PRO A 49 -6.765 -2.381 -7.845 1.00 0.00 N ATOM 767 CA PRO A 49 -6.944 -1.991 -9.243 1.00 0.00 C ATOM 768 C PRO A 49 -7.637 -3.100 -10.031 1.00 0.00 C ATOM 769 O PRO A 49 -7.598 -4.273 -9.638 1.00 0.00 O ATOM 770 CB PRO A 49 -5.508 -1.771 -9.744 1.00 0.00 C ATOM 771 CG PRO A 49 -4.658 -2.597 -8.838 1.00 0.00 C ATOM 772 CD PRO A 49 -5.343 -2.574 -7.497 1.00 0.00 C ATOM 0 HA PRO A 49 -7.571 -1.107 -9.361 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.399 -2.083 -10.783 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.229 -0.718 -9.697 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.565 -3.617 -9.212 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.650 -2.189 -8.769 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.186 -3.503 -6.949 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.969 -1.766 -6.868 1.00 0.00 H new ATOM 780 N ALA A 50 -8.279 -2.734 -11.134 1.00 0.00 N ATOM 781 CA ALA A 50 -8.990 -3.704 -11.955 1.00 0.00 C ATOM 782 C ALA A 50 -8.012 -4.675 -12.618 1.00 0.00 C ATOM 783 O ALA A 50 -7.520 -4.429 -13.725 1.00 0.00 O ATOM 784 CB ALA A 50 -9.850 -2.998 -12.994 1.00 0.00 C ATOM 0 H ALA A 50 -8.321 -1.775 -11.479 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.649 -4.284 -11.308 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.373 -3.739 -13.598 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.577 -2.360 -12.492 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.216 -2.388 -13.638 1.00 0.00 H new ATOM 790 N MET A 51 -7.701 -5.753 -11.904 1.00 0.00 N ATOM 791 CA MET A 51 -6.836 -6.815 -12.412 1.00 0.00 C ATOM 792 C MET A 51 -7.680 -8.029 -12.784 1.00 0.00 C ATOM 793 O MET A 51 -8.903 -8.011 -12.626 1.00 0.00 O ATOM 794 CB MET A 51 -5.800 -7.215 -11.351 1.00 0.00 C ATOM 795 CG MET A 51 -4.827 -6.105 -10.976 1.00 0.00 C ATOM 796 SD MET A 51 -3.771 -5.609 -12.353 1.00 0.00 S ATOM 797 CE MET A 51 -2.738 -4.377 -11.565 1.00 0.00 C ATOM 0 H MET A 51 -8.041 -5.916 -10.956 1.00 0.00 H new ATOM 0 HA MET A 51 -6.312 -6.449 -13.295 1.00 0.00 H new ATOM 0 HB2 MET A 51 -6.324 -7.541 -10.453 1.00 0.00 H new ATOM 0 HB3 MET A 51 -5.233 -8.071 -11.718 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.388 -5.239 -10.624 1.00 0.00 H new ATOM 0 HG3 MET A 51 -4.203 -6.439 -10.147 1.00 0.00 H new ATOM 0 HE1 MET A 51 -2.008 -4.002 -12.282 1.00 0.00 H new ATOM 0 HE2 MET A 51 -3.358 -3.552 -11.214 1.00 0.00 H new ATOM 0 HE3 MET A 51 -2.218 -4.826 -10.718 1.00 0.00 H new ATOM 807 N ALA A 52 -7.024 -9.078 -13.271 1.00 0.00 N ATOM 808 CA ALA A 52 -7.707 -10.320 -13.613 1.00 0.00 C ATOM 809 C ALA A 52 -8.414 -10.906 -12.389 1.00 0.00 C ATOM 810 O ALA A 52 -7.794 -11.130 -11.345 1.00 0.00 O ATOM 811 CB ALA A 52 -6.717 -11.317 -14.195 1.00 0.00 C ATOM 0 H ALA A 52 -6.018 -9.092 -13.438 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.466 -10.104 -14.365 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.237 -12.241 -14.447 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.265 -10.898 -15.094 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.939 -11.527 -13.462 1.00 0.00 H new ATOM 817 N ALA A 53 -9.711 -11.157 -12.531 1.00 0.00 N ATOM 818 CA ALA A 53 -10.542 -11.605 -11.416 1.00 0.00 C ATOM 819 C ALA A 53 -10.184 -13.023 -10.975 1.00 0.00 C ATOM 820 O ALA A 53 -10.445 -13.404 -9.830 1.00 0.00 O ATOM 821 CB ALA A 53 -12.016 -11.522 -11.793 1.00 0.00 C ATOM 0 H ALA A 53 -10.214 -11.057 -13.413 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.350 -10.942 -10.572 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.626 -11.858 -10.954 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.272 -10.491 -12.037 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.207 -12.157 -12.658 1.00 0.00 H new ATOM 827 N ASP A 54 -9.583 -13.800 -11.878 1.00 0.00 N ATOM 828 CA ASP A 54 -9.246 -15.191 -11.582 1.00 0.00 C ATOM 829 C ASP A 54 -8.043 -15.265 -10.644 1.00 0.00 C ATOM 830 O ASP A 54 -8.150 -15.829 -9.554 1.00 0.00 O ATOM 831 CB ASP A 54 -8.989 -15.999 -12.874 1.00 0.00 C ATOM 832 CG ASP A 54 -7.743 -15.574 -13.645 1.00 0.00 C ATOM 833 OD1 ASP A 54 -7.547 -14.359 -13.846 1.00 0.00 O ATOM 834 OD2 ASP A 54 -6.954 -16.459 -14.051 1.00 0.00 O ATOM 0 H ASP A 54 -9.322 -13.491 -12.814 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.102 -15.641 -11.080 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.900 -17.054 -12.616 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.856 -15.902 -13.527 1.00 0.00 H new ATOM 839 N THR A 55 -6.923 -14.660 -11.064 1.00 0.00 N ATOM 840 CA THR A 55 -5.668 -14.668 -10.305 1.00 0.00 C ATOM 841 C THR A 55 -5.470 -15.975 -9.521 1.00 0.00 C ATOM 842 O THR A 55 -5.764 -16.046 -8.329 1.00 0.00 O ATOM 843 CB THR A 55 -5.569 -13.442 -9.359 1.00 0.00 C ATOM 844 OG1 THR A 55 -6.852 -13.161 -8.773 1.00 0.00 O ATOM 845 CG2 THR A 55 -5.070 -12.206 -10.106 1.00 0.00 C ATOM 0 H THR A 55 -6.864 -14.149 -11.945 1.00 0.00 H new ATOM 0 HA THR A 55 -4.863 -14.601 -11.037 1.00 0.00 H new ATOM 0 HB THR A 55 -4.854 -13.685 -8.573 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.062 -12.211 -8.887 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.011 -11.364 -9.417 1.00 0.00 H new ATOM 0 HG22 THR A 55 -4.082 -12.406 -10.520 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.761 -11.966 -10.914 1.00 0.00 H new ATOM 853 N PRO A 56 -4.983 -17.036 -10.193 1.00 0.00 N ATOM 854 CA PRO A 56 -4.793 -18.350 -9.567 1.00 0.00 C ATOM 855 C PRO A 56 -3.556 -18.389 -8.669 1.00 0.00 C ATOM 856 O PRO A 56 -3.273 -19.403 -8.023 1.00 0.00 O ATOM 857 CB PRO A 56 -4.624 -19.283 -10.773 1.00 0.00 C ATOM 858 CG PRO A 56 -4.008 -18.422 -11.824 1.00 0.00 C ATOM 859 CD PRO A 56 -4.578 -17.039 -11.617 1.00 0.00 C ATOM 0 HA PRO A 56 -5.620 -18.624 -8.912 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.986 -20.133 -10.531 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.582 -19.686 -11.101 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.922 -18.414 -11.734 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.242 -18.795 -12.821 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.838 -16.266 -11.825 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.427 -16.853 -12.275 1.00 0.00 H new ATOM 867 N LEU A 57 -2.828 -17.278 -8.631 1.00 0.00 N ATOM 868 CA LEU A 57 -1.591 -17.175 -7.863 1.00 0.00 C ATOM 869 C LEU A 57 -1.619 -15.944 -6.952 1.00 0.00 C ATOM 870 O LEU A 57 -2.381 -15.004 -7.200 1.00 0.00 O ATOM 871 CB LEU A 57 -0.378 -17.138 -8.822 1.00 0.00 C ATOM 872 CG LEU A 57 -0.510 -16.222 -10.063 1.00 0.00 C ATOM 873 CD1 LEU A 57 -0.512 -14.743 -9.681 1.00 0.00 C ATOM 874 CD2 LEU A 57 0.608 -16.513 -11.062 1.00 0.00 C ATOM 0 H LEU A 57 -3.078 -16.425 -9.131 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.496 -18.053 -7.224 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.497 -16.821 -8.254 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.183 -18.154 -9.166 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.470 -16.441 -10.531 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.606 -14.135 -10.581 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.352 -14.540 -9.016 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.421 -14.497 -9.173 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.501 -15.861 -11.929 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.574 -16.333 -10.590 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.549 -17.553 -11.382 1.00 0.00 H new ATOM 886 N PRO A 58 -0.812 -15.941 -5.871 1.00 0.00 N ATOM 887 CA PRO A 58 -0.707 -14.785 -4.979 1.00 0.00 C ATOM 888 C PRO A 58 0.053 -13.634 -5.640 1.00 0.00 C ATOM 889 O PRO A 58 1.286 -13.629 -5.690 1.00 0.00 O ATOM 890 CB PRO A 58 0.053 -15.335 -3.763 1.00 0.00 C ATOM 891 CG PRO A 58 0.864 -16.466 -4.306 1.00 0.00 C ATOM 892 CD PRO A 58 0.051 -17.060 -5.430 1.00 0.00 C ATOM 0 HA PRO A 58 -1.679 -14.368 -4.715 1.00 0.00 H new ATOM 0 HB2 PRO A 58 0.688 -14.571 -3.314 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.633 -15.676 -2.987 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.831 -16.115 -4.667 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.063 -17.209 -3.534 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.688 -17.417 -6.239 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.540 -17.911 -5.090 1.00 0.00 H new ATOM 900 N ILE A 59 -0.694 -12.677 -6.177 1.00 0.00 N ATOM 901 CA ILE A 59 -0.113 -11.544 -6.891 1.00 0.00 C ATOM 902 C ILE A 59 0.002 -10.322 -5.980 1.00 0.00 C ATOM 903 O ILE A 59 -0.849 -10.088 -5.115 1.00 0.00 O ATOM 904 CB ILE A 59 -0.951 -11.184 -8.148 1.00 0.00 C ATOM 905 CG1 ILE A 59 -0.357 -9.962 -8.879 1.00 0.00 C ATOM 906 CG2 ILE A 59 -2.410 -10.937 -7.768 1.00 0.00 C ATOM 907 CD1 ILE A 59 -1.130 -9.537 -10.112 1.00 0.00 C ATOM 0 H ILE A 59 -1.713 -12.663 -6.131 1.00 0.00 H new ATOM 0 HA ILE A 59 0.886 -11.840 -7.210 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.915 -12.031 -8.833 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.314 -9.123 -8.184 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.669 -10.189 -9.168 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.981 -10.686 -8.662 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.825 -11.836 -7.313 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.466 -10.112 -7.058 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.645 -8.672 -10.565 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.152 -10.358 -10.829 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.150 -9.275 -9.830 1.00 0.00 H new ATOM 919 N THR A 60 1.076 -9.563 -6.167 1.00 0.00 N ATOM 920 CA THR A 60 1.298 -8.324 -5.437 1.00 0.00 C ATOM 921 C THR A 60 0.932 -7.123 -6.309 1.00 0.00 C ATOM 922 O THR A 60 1.275 -7.083 -7.495 1.00 0.00 O ATOM 923 CB THR A 60 2.773 -8.208 -5.005 1.00 0.00 C ATOM 924 OG1 THR A 60 3.155 -9.383 -4.272 1.00 0.00 O ATOM 925 CG2 THR A 60 3.005 -6.969 -4.150 1.00 0.00 C ATOM 0 H THR A 60 1.817 -9.791 -6.830 1.00 0.00 H new ATOM 0 HA THR A 60 0.665 -8.335 -4.550 1.00 0.00 H new ATOM 0 HB THR A 60 3.384 -8.118 -5.903 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.093 -9.308 -4.000 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.055 -6.917 -3.862 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.741 -6.079 -4.720 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.386 -7.024 -3.255 1.00 0.00 H new ATOM 933 N VAL A 61 0.230 -6.155 -5.726 1.00 0.00 N ATOM 934 CA VAL A 61 -0.178 -4.947 -6.444 1.00 0.00 C ATOM 935 C VAL A 61 0.023 -3.710 -5.569 1.00 0.00 C ATOM 936 O VAL A 61 0.444 -3.817 -4.413 1.00 0.00 O ATOM 937 CB VAL A 61 -1.663 -5.017 -6.896 1.00 0.00 C ATOM 938 CG1 VAL A 61 -1.875 -6.137 -7.915 1.00 0.00 C ATOM 939 CG2 VAL A 61 -2.590 -5.191 -5.692 1.00 0.00 C ATOM 0 H VAL A 61 -0.071 -6.183 -4.752 1.00 0.00 H new ATOM 0 HA VAL A 61 0.449 -4.877 -7.332 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.912 -4.073 -7.381 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.923 -6.163 -8.214 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.252 -5.955 -8.791 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.601 -7.093 -7.468 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.624 -5.237 -6.033 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.338 -6.114 -5.169 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.469 -4.346 -5.014 1.00 0.00 H new ATOM 949 N GLU A 62 -0.265 -2.542 -6.138 1.00 0.00 N ATOM 950 CA GLU A 62 -0.170 -1.276 -5.415 1.00 0.00 C ATOM 951 C GLU A 62 -1.182 -1.235 -4.265 1.00 0.00 C ATOM 952 O GLU A 62 -2.345 -1.595 -4.440 1.00 0.00 O ATOM 953 CB GLU A 62 -0.408 -0.095 -6.371 1.00 0.00 C ATOM 954 CG GLU A 62 0.741 0.166 -7.345 1.00 0.00 C ATOM 955 CD GLU A 62 1.089 -1.039 -8.208 1.00 0.00 C ATOM 956 OE1 GLU A 62 0.251 -1.442 -9.041 1.00 0.00 O ATOM 957 OE2 GLU A 62 2.198 -1.589 -8.057 1.00 0.00 O ATOM 0 H GLU A 62 -0.569 -2.446 -7.107 1.00 0.00 H new ATOM 0 HA GLU A 62 0.834 -1.194 -4.998 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.318 -0.282 -6.942 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.581 0.805 -5.782 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.476 1.002 -7.992 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.624 0.467 -6.781 1.00 0.00 H new ATOM 964 N ALA A 63 -0.729 -0.789 -3.096 1.00 0.00 N ATOM 965 CA ALA A 63 -1.572 -0.749 -1.904 1.00 0.00 C ATOM 966 C ALA A 63 -2.199 0.631 -1.708 1.00 0.00 C ATOM 967 O ALA A 63 -1.494 1.617 -1.474 1.00 0.00 O ATOM 968 CB ALA A 63 -0.758 -1.141 -0.671 1.00 0.00 C ATOM 0 H ALA A 63 0.221 -0.449 -2.949 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.382 -1.466 -2.041 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.396 -1.108 0.212 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.367 -2.151 -0.799 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.071 -0.444 -0.546 1.00 0.00 H new ATOM 974 N ARG A 64 -3.521 0.700 -1.828 1.00 0.00 N ATOM 975 CA ARG A 64 -4.272 1.911 -1.521 1.00 0.00 C ATOM 976 C ARG A 64 -5.223 1.611 -0.364 1.00 0.00 C ATOM 977 O ARG A 64 -5.987 0.652 -0.429 1.00 0.00 O ATOM 978 CB ARG A 64 -5.062 2.374 -2.756 1.00 0.00 C ATOM 979 CG ARG A 64 -4.201 2.707 -3.980 1.00 0.00 C ATOM 980 CD ARG A 64 -3.491 4.056 -3.857 1.00 0.00 C ATOM 981 NE ARG A 64 -2.489 4.086 -2.785 1.00 0.00 N ATOM 982 CZ ARG A 64 -1.736 5.154 -2.496 1.00 0.00 C ATOM 983 NH1 ARG A 64 -1.823 6.255 -3.231 1.00 0.00 N ATOM 984 NH2 ARG A 64 -0.876 5.106 -1.487 1.00 0.00 N ATOM 0 H ARG A 64 -4.100 -0.080 -2.140 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.588 2.711 -1.238 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.772 1.594 -3.030 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.645 3.255 -2.488 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -3.458 1.922 -4.120 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.830 2.713 -4.870 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.007 4.292 -4.805 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.232 4.834 -3.675 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.359 3.242 -2.227 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.467 6.291 -4.022 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.246 7.066 -3.006 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.789 4.255 -0.931 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.302 5.920 -1.267 1.00 0.00 H new ATOM 998 N LYS A 65 -5.159 2.402 0.700 1.00 0.00 N ATOM 999 CA LYS A 65 -6.006 2.170 1.869 1.00 0.00 C ATOM 1000 C LYS A 65 -7.242 3.059 1.821 1.00 0.00 C ATOM 1001 O LYS A 65 -7.189 4.180 1.309 1.00 0.00 O ATOM 1002 CB LYS A 65 -5.235 2.434 3.172 1.00 0.00 C ATOM 1003 CG LYS A 65 -6.077 2.191 4.424 1.00 0.00 C ATOM 1004 CD LYS A 65 -5.352 2.593 5.704 1.00 0.00 C ATOM 1005 CE LYS A 65 -6.236 2.389 6.932 1.00 0.00 C ATOM 1006 NZ LYS A 65 -7.481 3.208 6.878 1.00 0.00 N ATOM 0 H LYS A 65 -4.535 3.205 0.780 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.314 1.125 1.850 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.354 1.792 3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.879 3.464 3.175 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.008 2.753 4.346 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.345 1.136 4.478 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.441 2.004 5.808 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.051 3.639 5.640 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.501 1.335 7.015 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.673 2.647 7.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.989 3.127 7.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.234 4.204 6.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.089 2.865 6.107 1.00 0.00 H new ATOM 1020 N LEU A 66 -8.350 2.547 2.341 1.00 0.00 N ATOM 1021 CA LEU A 66 -9.583 3.316 2.457 1.00 0.00 C ATOM 1022 C LEU A 66 -9.623 4.018 3.816 1.00 0.00 C ATOM 1023 O LEU A 66 -9.847 5.247 3.848 1.00 0.00 O ATOM 1024 CB LEU A 66 -10.815 2.408 2.275 1.00 0.00 C ATOM 1025 CG LEU A 66 -11.104 1.958 0.827 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -9.944 1.152 0.252 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -12.399 1.150 0.758 1.00 0.00 C ATOM 1028 OXT LEU A 66 -9.391 3.344 4.844 1.00 0.00 O ATOM 0 H LEU A 66 -8.420 1.592 2.693 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.606 4.068 1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.684 1.520 2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.691 2.934 2.655 1.00 0.00 H new ATOM 0 HG LEU A 66 -11.222 2.857 0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.181 0.851 -0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.042 1.764 0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.779 0.265 0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -12.582 0.844 -0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.310 0.266 1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -13.230 1.763 1.107 1.00 0.00 H new TER 1040 LEU A 66