USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 575 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 53 LYS NZ :NH3+ 170:sc= 0.259 (180deg=-0.185) USER MOD Set 1.2: A 55 TYR OH : rot 180:sc= 0.134 USER MOD Set 2.1: A 35 ASN :FLIP amide:sc= 1.16 F(o=0.35,f=2.1) USER MOD Set 2.2: A 37 THR OG1 : rot -56:sc= 0.992 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -149:sc= 0 (180deg=-0.0319) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0139 K(o=-0.014,f=-0.53) USER MOD Single : A 18 LYS NZ :NH3+ -152:sc= -0.182 (180deg=-0.631) USER MOD Single : A 19 SER OG : rot -140:sc= -0.451 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.659 USER MOD Single : A 25 MET CE :methyl 161:sc= -4.33! (180deg=-5.05!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0538 X(o=-0.054,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= -0.0646 (180deg=-0.371) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0866 USER MOD Single : A 51 ASN : amide:sc= -1.22 K(o=-1.2,f=-2.4!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.178 K(o=-0.18,f=-0.81) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.719 -4.770 4.067 1.00 0.00 N ATOM 2 CA MET A 1 0.151 -3.939 3.244 1.00 0.00 C ATOM 3 C MET A 1 0.904 -4.785 2.222 1.00 0.00 C ATOM 4 O MET A 1 2.088 -5.074 2.392 1.00 0.00 O ATOM 5 CB MET A 1 1.145 -3.178 4.124 1.00 0.00 C ATOM 6 CG MET A 1 0.532 -1.987 4.843 1.00 0.00 C ATOM 7 SD MET A 1 0.531 -0.492 3.834 1.00 0.00 S ATOM 8 CE MET A 1 -0.419 0.616 4.873 1.00 0.00 C ATOM 0 H1 MET A 1 -1.554 -4.221 4.353 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.022 -5.602 3.521 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.202 -5.081 4.914 1.00 0.00 H new ATOM 0 HA MET A 1 -0.472 -3.223 2.708 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.562 -3.863 4.863 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.974 -2.832 3.506 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.492 -2.228 5.130 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.085 -1.799 5.763 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.508 1.586 4.384 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.413 0.199 5.036 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.085 0.737 5.832 1.00 0.00 H new ATOM 18 N ASP A 2 0.208 -5.180 1.161 1.00 0.00 N ATOM 19 CA ASP A 2 0.811 -5.993 0.111 1.00 0.00 C ATOM 20 C ASP A 2 1.174 -5.136 -1.098 1.00 0.00 C ATOM 21 O ASP A 2 0.329 -4.859 -1.949 1.00 0.00 O ATOM 22 CB ASP A 2 -0.144 -7.112 -0.309 1.00 0.00 C ATOM 23 CG ASP A 2 -0.534 -8.006 0.852 1.00 0.00 C ATOM 24 OD1 ASP A 2 0.373 -8.587 1.485 1.00 0.00 O ATOM 25 OD2 ASP A 2 -1.745 -8.124 1.128 1.00 0.00 O ATOM 0 H ASP A 2 -0.774 -4.950 1.006 1.00 0.00 H new ATOM 0 HA ASP A 2 1.725 -6.436 0.507 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.042 -6.675 -0.745 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.326 -7.715 -1.086 1.00 0.00 H new ATOM 30 N GLU A 3 2.434 -4.720 -1.166 1.00 0.00 N ATOM 31 CA GLU A 3 2.907 -3.894 -2.270 1.00 0.00 C ATOM 32 C GLU A 3 3.090 -4.728 -3.535 1.00 0.00 C ATOM 33 O GLU A 3 4.214 -4.976 -3.972 1.00 0.00 O ATOM 34 CB GLU A 3 4.227 -3.214 -1.899 1.00 0.00 C ATOM 35 CG GLU A 3 4.404 -1.843 -2.529 1.00 0.00 C ATOM 36 CD GLU A 3 5.838 -1.571 -2.942 1.00 0.00 C ATOM 37 OE1 GLU A 3 6.739 -2.289 -2.460 1.00 0.00 O ATOM 38 OE2 GLU A 3 6.059 -0.641 -3.745 1.00 0.00 O ATOM 0 H GLU A 3 3.146 -4.941 -0.470 1.00 0.00 H new ATOM 0 HA GLU A 3 2.155 -3.130 -2.465 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.283 -3.116 -0.815 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.054 -3.854 -2.205 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.757 -1.762 -3.402 1.00 0.00 H new ATOM 0 HG3 GLU A 3 4.082 -1.078 -1.822 1.00 0.00 H new ATOM 45 N THR A 4 1.976 -5.159 -4.118 1.00 0.00 N ATOM 46 CA THR A 4 2.012 -5.966 -5.331 1.00 0.00 C ATOM 47 C THR A 4 0.773 -5.728 -6.187 1.00 0.00 C ATOM 48 O THR A 4 -0.191 -5.106 -5.742 1.00 0.00 O ATOM 49 CB THR A 4 2.114 -7.468 -5.003 1.00 0.00 C ATOM 50 OG1 THR A 4 2.345 -8.216 -6.202 1.00 0.00 O ATOM 51 CG2 THR A 4 0.843 -7.962 -4.328 1.00 0.00 C ATOM 0 H THR A 4 1.038 -4.963 -3.770 1.00 0.00 H new ATOM 0 HA THR A 4 2.899 -5.661 -5.887 1.00 0.00 H new ATOM 0 HB THR A 4 2.950 -7.612 -4.318 1.00 0.00 H new ATOM 0 HG1 THR A 4 2.410 -9.169 -5.985 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.938 -9.025 -4.106 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.685 -7.410 -3.401 1.00 0.00 H new ATOM 0 HG23 THR A 4 -0.007 -7.805 -4.993 1.00 0.00 H new ATOM 59 N GLY A 5 0.805 -6.228 -7.419 1.00 0.00 N ATOM 60 CA GLY A 5 -0.321 -6.059 -8.318 1.00 0.00 C ATOM 61 C GLY A 5 -1.281 -7.231 -8.272 1.00 0.00 C ATOM 62 O GLY A 5 -1.793 -7.665 -9.304 1.00 0.00 O ATOM 0 H GLY A 5 1.591 -6.747 -7.810 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -0.855 -5.145 -8.058 1.00 0.00 H new ATOM 0 HA3 GLY A 5 0.047 -5.934 -9.336 1.00 0.00 H new ATOM 66 N LYS A 6 -1.524 -7.748 -7.072 1.00 0.00 N ATOM 67 CA LYS A 6 -2.428 -8.878 -6.894 1.00 0.00 C ATOM 68 C LYS A 6 -3.679 -8.459 -6.129 1.00 0.00 C ATOM 69 O LYS A 6 -3.653 -8.323 -4.906 1.00 0.00 O ATOM 70 CB LYS A 6 -1.719 -10.012 -6.151 1.00 0.00 C ATOM 71 CG LYS A 6 -2.255 -11.392 -6.492 1.00 0.00 C ATOM 72 CD LYS A 6 -1.745 -11.871 -7.841 1.00 0.00 C ATOM 73 CE LYS A 6 -0.316 -12.385 -7.746 1.00 0.00 C ATOM 74 NZ LYS A 6 -0.266 -13.803 -7.293 1.00 0.00 N ATOM 0 H LYS A 6 -1.107 -7.402 -6.208 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.728 -9.230 -7.881 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.655 -9.977 -6.383 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.817 -9.849 -5.078 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.959 -12.100 -5.718 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.345 -11.368 -6.502 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.393 -12.663 -8.216 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.792 -11.053 -8.560 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.167 -12.297 -8.719 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.249 -11.762 -7.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.724 -14.116 -7.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.704 -13.883 -6.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.783 -14.402 -7.968 1.00 0.00 H new ATOM 88 N GLU A 7 -4.773 -8.258 -6.857 1.00 0.00 N ATOM 89 CA GLU A 7 -6.034 -7.855 -6.245 1.00 0.00 C ATOM 90 C GLU A 7 -7.075 -8.965 -6.363 1.00 0.00 C ATOM 91 O GLU A 7 -6.781 -10.059 -6.847 1.00 0.00 O ATOM 92 CB GLU A 7 -6.559 -6.576 -6.900 1.00 0.00 C ATOM 93 CG GLU A 7 -6.646 -6.660 -8.415 1.00 0.00 C ATOM 94 CD GLU A 7 -5.415 -6.100 -9.101 1.00 0.00 C ATOM 95 OE1 GLU A 7 -4.859 -5.100 -8.602 1.00 0.00 O ATOM 96 OE2 GLU A 7 -5.007 -6.664 -10.138 1.00 0.00 O ATOM 0 H GLU A 7 -4.812 -8.368 -7.870 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.850 -7.664 -5.188 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.548 -6.352 -6.499 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.909 -5.745 -6.627 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.781 -7.701 -8.711 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.527 -6.116 -8.756 1.00 0.00 H new ATOM 103 N LEU A 8 -8.293 -8.675 -5.917 1.00 0.00 N ATOM 104 CA LEU A 8 -9.379 -9.648 -5.972 1.00 0.00 C ATOM 105 C LEU A 8 -10.583 -9.078 -6.714 1.00 0.00 C ATOM 106 O LEU A 8 -10.869 -7.883 -6.630 1.00 0.00 O ATOM 107 CB LEU A 8 -9.787 -10.066 -4.558 1.00 0.00 C ATOM 108 CG LEU A 8 -9.103 -11.317 -4.004 1.00 0.00 C ATOM 109 CD1 LEU A 8 -7.591 -11.187 -4.103 1.00 0.00 C ATOM 110 CD2 LEU A 8 -9.527 -11.562 -2.564 1.00 0.00 C ATOM 0 H LEU A 8 -8.553 -7.775 -5.514 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.023 -10.524 -6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -9.583 -9.235 -3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -10.865 -10.230 -4.546 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.412 -12.173 -4.603 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.122 -12.086 -3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.304 -11.061 -5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.262 -10.321 -3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.031 -12.456 -2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.247 -10.705 -1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.607 -11.701 -2.521 1.00 0.00 H new ATOM 122 N VAL A 9 -11.289 -9.941 -7.438 1.00 0.00 N ATOM 123 CA VAL A 9 -12.465 -9.524 -8.192 1.00 0.00 C ATOM 124 C VAL A 9 -13.708 -10.279 -7.733 1.00 0.00 C ATOM 125 O VAL A 9 -13.621 -11.419 -7.273 1.00 0.00 O ATOM 126 CB VAL A 9 -12.271 -9.747 -9.703 1.00 0.00 C ATOM 127 CG1 VAL A 9 -11.042 -9.002 -10.200 1.00 0.00 C ATOM 128 CG2 VAL A 9 -12.165 -11.233 -10.013 1.00 0.00 C ATOM 0 H VAL A 9 -11.067 -10.933 -7.518 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.600 -8.459 -8.004 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.142 -9.351 -10.225 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.922 -9.172 -11.270 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.163 -7.935 -10.013 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.159 -9.365 -9.673 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.028 -11.372 -11.085 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.313 -11.656 -9.481 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -13.078 -11.737 -9.695 1.00 0.00 H new ATOM 138 N LEU A 10 -14.864 -9.638 -7.861 1.00 0.00 N ATOM 139 CA LEU A 10 -16.126 -10.249 -7.461 1.00 0.00 C ATOM 140 C LEU A 10 -16.923 -10.702 -8.680 1.00 0.00 C ATOM 141 O LEU A 10 -16.961 -10.015 -9.700 1.00 0.00 O ATOM 142 CB LEU A 10 -16.954 -9.262 -6.635 1.00 0.00 C ATOM 143 CG LEU A 10 -18.316 -9.764 -6.157 1.00 0.00 C ATOM 144 CD1 LEU A 10 -18.148 -10.910 -5.172 1.00 0.00 C ATOM 145 CD2 LEU A 10 -19.112 -8.630 -5.527 1.00 0.00 C ATOM 0 H LEU A 10 -14.953 -8.695 -8.239 1.00 0.00 H new ATOM 0 HA LEU A 10 -15.900 -11.124 -6.852 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -16.370 -8.970 -5.762 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.109 -8.362 -7.230 1.00 0.00 H new ATOM 0 HG LEU A 10 -18.868 -10.133 -7.021 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.129 -11.254 -4.843 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -17.619 -11.731 -5.656 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -17.576 -10.568 -4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -20.079 -9.006 -5.193 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -18.563 -8.230 -4.674 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -19.265 -7.840 -6.263 1.00 0.00 H new ATOM 157 N ALA A 11 -17.560 -11.863 -8.565 1.00 0.00 N ATOM 158 CA ALA A 11 -18.360 -12.406 -9.656 1.00 0.00 C ATOM 159 C ALA A 11 -19.774 -11.838 -9.636 1.00 0.00 C ATOM 160 O ALA A 11 -20.409 -11.763 -8.583 1.00 0.00 O ATOM 161 CB ALA A 11 -18.398 -13.925 -9.577 1.00 0.00 C ATOM 0 H ALA A 11 -17.538 -12.445 -7.728 1.00 0.00 H new ATOM 0 HA ALA A 11 -17.893 -12.113 -10.596 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -18.999 -14.317 -10.398 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -17.384 -14.319 -9.649 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -18.838 -14.229 -8.627 1.00 0.00 H new ATOM 167 N LEU A 12 -20.263 -11.438 -10.805 1.00 0.00 N ATOM 168 CA LEU A 12 -21.604 -10.876 -10.921 1.00 0.00 C ATOM 169 C LEU A 12 -22.657 -11.979 -10.947 1.00 0.00 C ATOM 170 O LEU A 12 -23.486 -12.081 -10.042 1.00 0.00 O ATOM 171 CB LEU A 12 -21.712 -10.022 -12.186 1.00 0.00 C ATOM 172 CG LEU A 12 -20.745 -8.842 -12.284 1.00 0.00 C ATOM 173 CD1 LEU A 12 -20.696 -8.308 -13.707 1.00 0.00 C ATOM 174 CD2 LEU A 12 -21.145 -7.741 -11.313 1.00 0.00 C ATOM 0 H LEU A 12 -19.751 -11.492 -11.685 1.00 0.00 H new ATOM 0 HA LEU A 12 -21.785 -10.248 -10.049 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -21.555 -10.667 -13.050 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -22.730 -9.638 -12.255 1.00 0.00 H new ATOM 0 HG LEU A 12 -19.748 -9.192 -12.014 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -20.003 -7.469 -13.757 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -20.360 -9.097 -14.380 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -21.690 -7.975 -14.005 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -20.445 -6.910 -11.397 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -22.151 -7.394 -11.550 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -21.126 -8.129 -10.295 1.00 0.00 H new ATOM 186 N TYR A 13 -22.618 -12.803 -11.988 1.00 0.00 N ATOM 187 CA TYR A 13 -23.569 -13.899 -12.131 1.00 0.00 C ATOM 188 C TYR A 13 -22.871 -15.248 -11.986 1.00 0.00 C ATOM 189 O TYR A 13 -21.662 -15.313 -11.763 1.00 0.00 O ATOM 190 CB TYR A 13 -24.271 -13.818 -13.488 1.00 0.00 C ATOM 191 CG TYR A 13 -24.735 -12.425 -13.848 1.00 0.00 C ATOM 192 CD1 TYR A 13 -25.979 -11.959 -13.439 1.00 0.00 C ATOM 193 CD2 TYR A 13 -23.931 -11.575 -14.597 1.00 0.00 C ATOM 194 CE1 TYR A 13 -26.408 -10.687 -13.766 1.00 0.00 C ATOM 195 CE2 TYR A 13 -24.351 -10.301 -14.927 1.00 0.00 C ATOM 196 CZ TYR A 13 -25.590 -9.862 -14.510 1.00 0.00 C ATOM 197 OH TYR A 13 -26.013 -8.594 -14.838 1.00 0.00 O ATOM 0 H TYR A 13 -21.938 -12.733 -12.745 1.00 0.00 H new ATOM 0 HA TYR A 13 -24.312 -13.808 -11.339 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -23.591 -14.176 -14.261 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -25.131 -14.488 -13.483 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -26.621 -12.602 -12.856 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -22.961 -11.916 -14.927 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -27.378 -10.341 -13.441 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -23.713 -9.652 -15.508 1.00 0.00 H new ATOM 0 HH TYR A 13 -25.319 -8.143 -15.363 1.00 0.00 H new ATOM 207 N ASP A 14 -23.642 -16.322 -12.116 1.00 0.00 N ATOM 208 CA ASP A 14 -23.099 -17.671 -12.002 1.00 0.00 C ATOM 209 C ASP A 14 -22.657 -18.196 -13.364 1.00 0.00 C ATOM 210 O ASP A 14 -23.410 -18.140 -14.337 1.00 0.00 O ATOM 211 CB ASP A 14 -24.140 -18.612 -11.392 1.00 0.00 C ATOM 212 CG ASP A 14 -25.234 -18.980 -12.374 1.00 0.00 C ATOM 213 OD1 ASP A 14 -26.127 -18.139 -12.611 1.00 0.00 O ATOM 214 OD2 ASP A 14 -25.198 -20.108 -12.907 1.00 0.00 O ATOM 0 H ASP A 14 -24.645 -16.285 -12.300 1.00 0.00 H new ATOM 0 HA ASP A 14 -22.228 -17.632 -11.348 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -23.646 -19.520 -11.046 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -24.585 -18.138 -10.517 1.00 0.00 H new ATOM 219 N TYR A 15 -21.432 -18.705 -13.427 1.00 0.00 N ATOM 220 CA TYR A 15 -20.888 -19.237 -14.670 1.00 0.00 C ATOM 221 C TYR A 15 -20.188 -20.572 -14.432 1.00 0.00 C ATOM 222 O TYR A 15 -20.024 -21.003 -13.292 1.00 0.00 O ATOM 223 CB TYR A 15 -19.908 -18.239 -15.291 1.00 0.00 C ATOM 224 CG TYR A 15 -19.859 -18.298 -16.801 1.00 0.00 C ATOM 225 CD1 TYR A 15 -20.914 -17.823 -17.570 1.00 0.00 C ATOM 226 CD2 TYR A 15 -18.757 -18.831 -17.459 1.00 0.00 C ATOM 227 CE1 TYR A 15 -20.874 -17.876 -18.949 1.00 0.00 C ATOM 228 CE2 TYR A 15 -18.707 -18.887 -18.839 1.00 0.00 C ATOM 229 CZ TYR A 15 -19.768 -18.408 -19.579 1.00 0.00 C ATOM 230 OH TYR A 15 -19.723 -18.463 -20.953 1.00 0.00 O ATOM 0 H TYR A 15 -20.797 -18.760 -12.631 1.00 0.00 H new ATOM 0 HA TYR A 15 -21.717 -19.400 -15.359 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -20.186 -17.231 -14.984 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -18.910 -18.429 -14.896 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -21.781 -17.405 -17.080 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -17.925 -19.208 -16.882 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -21.704 -17.503 -19.531 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -17.843 -19.303 -19.335 1.00 0.00 H new ATOM 0 HH TYR A 15 -18.875 -18.865 -21.237 1.00 0.00 H new ATOM 240 N GLN A 16 -19.779 -21.219 -15.518 1.00 0.00 N ATOM 241 CA GLN A 16 -19.098 -22.505 -15.428 1.00 0.00 C ATOM 242 C GLN A 16 -17.875 -22.539 -16.340 1.00 0.00 C ATOM 243 O GLN A 16 -17.786 -21.775 -17.301 1.00 0.00 O ATOM 244 CB GLN A 16 -20.055 -23.640 -15.797 1.00 0.00 C ATOM 245 CG GLN A 16 -20.199 -24.692 -14.708 1.00 0.00 C ATOM 246 CD GLN A 16 -20.536 -26.062 -15.262 1.00 0.00 C ATOM 247 OE1 GLN A 16 -21.084 -26.184 -16.358 1.00 0.00 O ATOM 248 NE2 GLN A 16 -20.210 -27.103 -14.505 1.00 0.00 N ATOM 0 H GLN A 16 -19.907 -20.874 -16.469 1.00 0.00 H new ATOM 0 HA GLN A 16 -18.765 -22.640 -14.399 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -21.036 -23.220 -16.017 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -19.702 -24.120 -16.710 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -19.270 -24.752 -14.141 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -20.979 -24.384 -14.011 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -19.757 -26.956 -13.603 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -20.413 -28.050 -14.825 1.00 0.00 H new ATOM 257 N GLU A 17 -16.937 -23.428 -16.031 1.00 0.00 N ATOM 258 CA GLU A 17 -15.720 -23.559 -16.823 1.00 0.00 C ATOM 259 C GLU A 17 -15.999 -24.288 -18.134 1.00 0.00 C ATOM 260 O GLU A 17 -15.634 -25.452 -18.301 1.00 0.00 O ATOM 261 CB GLU A 17 -14.646 -24.307 -16.030 1.00 0.00 C ATOM 262 CG GLU A 17 -15.124 -25.633 -15.460 1.00 0.00 C ATOM 263 CD GLU A 17 -14.017 -26.666 -15.382 1.00 0.00 C ATOM 264 OE1 GLU A 17 -13.136 -26.661 -16.266 1.00 0.00 O ATOM 265 OE2 GLU A 17 -14.032 -27.480 -14.434 1.00 0.00 O ATOM 0 H GLU A 17 -16.996 -24.068 -15.239 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.359 -22.557 -17.054 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.788 -24.487 -16.677 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -14.301 -23.673 -15.213 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -15.534 -25.469 -14.464 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -15.934 -26.020 -16.079 1.00 0.00 H new ATOM 272 N LYS A 18 -16.650 -23.596 -19.063 1.00 0.00 N ATOM 273 CA LYS A 18 -16.979 -24.175 -20.360 1.00 0.00 C ATOM 274 C LYS A 18 -15.717 -24.432 -21.177 1.00 0.00 C ATOM 275 O LYS A 18 -15.707 -25.277 -22.071 1.00 0.00 O ATOM 276 CB LYS A 18 -17.919 -23.246 -21.132 1.00 0.00 C ATOM 277 CG LYS A 18 -18.854 -23.978 -22.079 1.00 0.00 C ATOM 278 CD LYS A 18 -20.217 -24.210 -21.449 1.00 0.00 C ATOM 279 CE LYS A 18 -20.324 -25.603 -20.847 1.00 0.00 C ATOM 280 NZ LYS A 18 -20.210 -26.665 -21.885 1.00 0.00 N ATOM 0 H LYS A 18 -16.961 -22.632 -18.941 1.00 0.00 H new ATOM 0 HA LYS A 18 -17.480 -25.128 -20.188 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.512 -22.671 -20.421 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.324 -22.532 -21.702 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.970 -23.400 -22.996 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -18.414 -24.935 -22.359 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -20.393 -23.463 -20.674 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -20.994 -24.077 -22.202 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -19.540 -25.738 -20.102 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -21.278 -25.703 -20.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -20.732 -27.510 -21.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -20.610 -26.319 -22.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -19.208 -26.908 -22.024 1.00 0.00 H new ATOM 294 N SER A 19 -14.654 -23.699 -20.862 1.00 0.00 N ATOM 295 CA SER A 19 -13.387 -23.847 -21.569 1.00 0.00 C ATOM 296 C SER A 19 -12.360 -24.565 -20.698 1.00 0.00 C ATOM 297 O SER A 19 -12.491 -24.644 -19.477 1.00 0.00 O ATOM 298 CB SER A 19 -12.849 -22.477 -21.987 1.00 0.00 C ATOM 299 OG SER A 19 -13.860 -21.487 -21.910 1.00 0.00 O ATOM 0 H SER A 19 -14.645 -22.997 -20.122 1.00 0.00 H new ATOM 0 HA SER A 19 -13.565 -24.447 -22.461 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.014 -22.199 -21.344 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.464 -22.529 -23.005 1.00 0.00 H new ATOM 0 HG SER A 19 -13.783 -20.881 -22.676 1.00 0.00 H new ATOM 305 N PRO A 20 -11.313 -25.102 -21.342 1.00 0.00 N ATOM 306 CA PRO A 20 -10.242 -25.823 -20.647 1.00 0.00 C ATOM 307 C PRO A 20 -9.374 -24.898 -19.802 1.00 0.00 C ATOM 308 O PRO A 20 -8.695 -25.342 -18.876 1.00 0.00 O ATOM 309 CB PRO A 20 -9.424 -26.429 -21.790 1.00 0.00 C ATOM 310 CG PRO A 20 -9.681 -25.536 -22.955 1.00 0.00 C ATOM 311 CD PRO A 20 -11.093 -25.046 -22.797 1.00 0.00 C ATOM 0 HA PRO A 20 -10.634 -26.561 -19.947 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.363 -26.462 -21.543 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.735 -27.453 -22.000 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.978 -24.703 -22.971 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.558 -26.075 -23.894 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -11.212 -24.034 -23.183 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.800 -25.678 -23.335 1.00 0.00 H new ATOM 319 N ARG A 21 -9.400 -23.609 -20.126 1.00 0.00 N ATOM 320 CA ARG A 21 -8.614 -22.621 -19.396 1.00 0.00 C ATOM 321 C ARG A 21 -9.517 -21.716 -18.564 1.00 0.00 C ATOM 322 O ARG A 21 -9.038 -20.912 -17.764 1.00 0.00 O ATOM 323 CB ARG A 21 -7.786 -21.779 -20.368 1.00 0.00 C ATOM 324 CG ARG A 21 -6.450 -22.406 -20.732 1.00 0.00 C ATOM 325 CD ARG A 21 -5.652 -21.514 -21.669 1.00 0.00 C ATOM 326 NE ARG A 21 -4.292 -22.007 -21.869 1.00 0.00 N ATOM 327 CZ ARG A 21 -3.309 -21.268 -22.371 1.00 0.00 C ATOM 328 NH1 ARG A 21 -3.533 -20.009 -22.722 1.00 0.00 N ATOM 329 NH2 ARG A 21 -2.097 -21.788 -22.522 1.00 0.00 N ATOM 0 H ARG A 21 -9.957 -23.224 -20.889 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.942 -23.153 -18.723 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.363 -21.619 -21.279 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.609 -20.798 -19.926 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.874 -22.590 -19.825 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.618 -23.374 -21.205 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.160 -21.453 -22.631 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.615 -20.503 -21.263 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.086 -22.971 -21.609 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.463 -19.605 -22.607 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.776 -19.444 -23.107 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.920 -22.756 -22.252 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.343 -21.220 -22.908 1.00 0.00 H new ATOM 343 N GLU A 22 -10.825 -21.852 -18.758 1.00 0.00 N ATOM 344 CA GLU A 22 -11.794 -21.045 -18.025 1.00 0.00 C ATOM 345 C GLU A 22 -12.128 -21.684 -16.680 1.00 0.00 C ATOM 346 O GLU A 22 -12.127 -22.908 -16.544 1.00 0.00 O ATOM 347 CB GLU A 22 -13.071 -20.868 -18.849 1.00 0.00 C ATOM 348 CG GLU A 22 -13.808 -19.571 -18.559 1.00 0.00 C ATOM 349 CD GLU A 22 -15.114 -19.460 -19.320 1.00 0.00 C ATOM 350 OE1 GLU A 22 -15.511 -20.453 -19.965 1.00 0.00 O ATOM 351 OE2 GLU A 22 -15.740 -18.380 -19.271 1.00 0.00 O ATOM 0 H GLU A 22 -11.238 -22.513 -19.416 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.349 -20.067 -17.842 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.817 -20.903 -19.909 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.739 -21.707 -18.653 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.008 -19.502 -17.490 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.168 -18.728 -18.818 1.00 0.00 H new ATOM 358 N VAL A 23 -12.413 -20.847 -15.688 1.00 0.00 N ATOM 359 CA VAL A 23 -12.750 -21.328 -14.354 1.00 0.00 C ATOM 360 C VAL A 23 -14.217 -21.069 -14.030 1.00 0.00 C ATOM 361 O VAL A 23 -14.869 -20.241 -14.667 1.00 0.00 O ATOM 362 CB VAL A 23 -11.873 -20.661 -13.278 1.00 0.00 C ATOM 363 CG1 VAL A 23 -10.475 -21.261 -13.282 1.00 0.00 C ATOM 364 CG2 VAL A 23 -11.817 -19.156 -13.495 1.00 0.00 C ATOM 0 H VAL A 23 -12.417 -19.831 -15.783 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.564 -22.402 -14.349 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.320 -20.848 -12.302 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.869 -20.778 -12.515 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.537 -22.329 -13.075 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.016 -21.106 -14.258 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.193 -18.700 -12.726 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.394 -18.946 -14.477 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -12.824 -18.742 -13.438 1.00 0.00 H new ATOM 374 N THR A 24 -14.733 -21.783 -13.034 1.00 0.00 N ATOM 375 CA THR A 24 -16.123 -21.631 -12.625 1.00 0.00 C ATOM 376 C THR A 24 -16.278 -20.506 -11.607 1.00 0.00 C ATOM 377 O THR A 24 -15.512 -20.415 -10.648 1.00 0.00 O ATOM 378 CB THR A 24 -16.676 -22.935 -12.019 1.00 0.00 C ATOM 379 OG1 THR A 24 -16.410 -24.034 -12.898 1.00 0.00 O ATOM 380 CG2 THR A 24 -18.174 -22.825 -11.775 1.00 0.00 C ATOM 0 H THR A 24 -14.208 -22.472 -12.496 1.00 0.00 H new ATOM 0 HA THR A 24 -16.691 -21.386 -13.523 1.00 0.00 H new ATOM 0 HB THR A 24 -16.180 -23.106 -11.064 1.00 0.00 H new ATOM 0 HG1 THR A 24 -16.763 -24.860 -12.505 1.00 0.00 H new ATOM 0 HG21 THR A 24 -18.542 -23.757 -11.347 1.00 0.00 H new ATOM 0 HG22 THR A 24 -18.371 -22.006 -11.084 1.00 0.00 H new ATOM 0 HG23 THR A 24 -18.683 -22.633 -12.719 1.00 0.00 H new ATOM 388 N MET A 25 -17.273 -19.652 -11.822 1.00 0.00 N ATOM 389 CA MET A 25 -17.529 -18.534 -10.922 1.00 0.00 C ATOM 390 C MET A 25 -18.967 -18.562 -10.416 1.00 0.00 C ATOM 391 O MET A 25 -19.824 -19.238 -10.985 1.00 0.00 O ATOM 392 CB MET A 25 -17.250 -17.207 -11.630 1.00 0.00 C ATOM 393 CG MET A 25 -18.127 -16.973 -12.849 1.00 0.00 C ATOM 394 SD MET A 25 -18.341 -15.222 -13.225 1.00 0.00 S ATOM 395 CE MET A 25 -17.180 -15.022 -14.575 1.00 0.00 C ATOM 0 H MET A 25 -17.915 -19.713 -12.612 1.00 0.00 H new ATOM 0 HA MET A 25 -16.860 -18.628 -10.067 1.00 0.00 H new ATOM 0 HB2 MET A 25 -17.398 -16.390 -10.924 1.00 0.00 H new ATOM 0 HB3 MET A 25 -16.204 -17.180 -11.935 1.00 0.00 H new ATOM 0 HG2 MET A 25 -17.686 -17.474 -13.711 1.00 0.00 H new ATOM 0 HG3 MET A 25 -19.104 -17.427 -12.682 1.00 0.00 H new ATOM 0 HE1 MET A 25 -17.424 -14.118 -15.134 1.00 0.00 H new ATOM 0 HE2 MET A 25 -16.169 -14.941 -14.176 1.00 0.00 H new ATOM 0 HE3 MET A 25 -17.240 -15.885 -15.238 1.00 0.00 H new ATOM 405 N LYS A 26 -19.226 -17.823 -9.342 1.00 0.00 N ATOM 406 CA LYS A 26 -20.561 -17.761 -8.759 1.00 0.00 C ATOM 407 C LYS A 26 -20.885 -16.346 -8.290 1.00 0.00 C ATOM 408 O LYS A 26 -20.035 -15.659 -7.724 1.00 0.00 O ATOM 409 CB LYS A 26 -20.674 -18.737 -7.586 1.00 0.00 C ATOM 410 CG LYS A 26 -22.036 -19.399 -7.474 1.00 0.00 C ATOM 411 CD LYS A 26 -22.055 -20.455 -6.382 1.00 0.00 C ATOM 412 CE LYS A 26 -23.367 -21.224 -6.372 1.00 0.00 C ATOM 413 NZ LYS A 26 -24.436 -20.488 -5.641 1.00 0.00 N ATOM 0 H LYS A 26 -18.528 -17.258 -8.858 1.00 0.00 H new ATOM 0 HA LYS A 26 -21.279 -18.043 -9.529 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -19.912 -19.509 -7.692 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -20.461 -18.204 -6.659 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -22.793 -18.643 -7.264 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -22.299 -19.856 -8.428 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -21.227 -21.148 -6.531 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -21.903 -19.980 -5.413 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -23.688 -21.407 -7.397 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -23.214 -22.198 -5.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -25.314 -21.045 -5.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -24.141 -20.335 -4.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -24.601 -19.569 -6.100 1.00 0.00 H new ATOM 427 N LYS A 27 -22.120 -15.917 -8.528 1.00 0.00 N ATOM 428 CA LYS A 27 -22.557 -14.585 -8.127 1.00 0.00 C ATOM 429 C LYS A 27 -22.248 -14.330 -6.655 1.00 0.00 C ATOM 430 O LYS A 27 -22.922 -14.855 -5.770 1.00 0.00 O ATOM 431 CB LYS A 27 -24.058 -14.421 -8.380 1.00 0.00 C ATOM 432 CG LYS A 27 -24.901 -15.531 -7.776 1.00 0.00 C ATOM 433 CD LYS A 27 -26.312 -15.530 -8.341 1.00 0.00 C ATOM 434 CE LYS A 27 -27.050 -16.814 -7.998 1.00 0.00 C ATOM 435 NZ LYS A 27 -27.673 -16.752 -6.647 1.00 0.00 N ATOM 0 H LYS A 27 -22.836 -16.472 -8.997 1.00 0.00 H new ATOM 0 HA LYS A 27 -22.011 -13.856 -8.726 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -24.385 -13.465 -7.971 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -24.235 -14.385 -9.455 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -24.430 -16.494 -7.972 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -24.941 -15.410 -6.693 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -26.863 -14.676 -7.946 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -26.272 -15.410 -9.424 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -27.821 -17.000 -8.745 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -26.356 -17.654 -8.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -28.166 -17.646 -6.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -26.934 -16.600 -5.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -28.354 -15.967 -6.614 1.00 0.00 H new ATOM 449 N GLY A 28 -21.225 -13.520 -6.401 1.00 0.00 N ATOM 450 CA GLY A 28 -20.846 -13.209 -5.035 1.00 0.00 C ATOM 451 C GLY A 28 -19.585 -13.931 -4.605 1.00 0.00 C ATOM 452 O GLY A 28 -19.293 -14.027 -3.413 1.00 0.00 O ATOM 0 H GLY A 28 -20.652 -13.073 -7.117 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -20.696 -12.134 -4.939 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -21.662 -13.479 -4.364 1.00 0.00 H new ATOM 456 N ASP A 29 -18.837 -14.442 -5.577 1.00 0.00 N ATOM 457 CA ASP A 29 -17.600 -15.160 -5.292 1.00 0.00 C ATOM 458 C ASP A 29 -16.384 -14.285 -5.584 1.00 0.00 C ATOM 459 O ASP A 29 -16.351 -13.565 -6.582 1.00 0.00 O ATOM 460 CB ASP A 29 -17.529 -16.445 -6.119 1.00 0.00 C ATOM 461 CG ASP A 29 -18.355 -17.565 -5.518 1.00 0.00 C ATOM 462 OD1 ASP A 29 -19.230 -17.272 -4.677 1.00 0.00 O ATOM 463 OD2 ASP A 29 -18.126 -18.736 -5.889 1.00 0.00 O ATOM 0 H ASP A 29 -19.066 -14.372 -6.569 1.00 0.00 H new ATOM 0 HA ASP A 29 -17.594 -15.418 -4.233 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -17.879 -16.242 -7.131 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -16.490 -16.766 -6.199 1.00 0.00 H new ATOM 468 N ILE A 30 -15.389 -14.353 -4.707 1.00 0.00 N ATOM 469 CA ILE A 30 -14.172 -13.567 -4.870 1.00 0.00 C ATOM 470 C ILE A 30 -13.028 -14.429 -5.395 1.00 0.00 C ATOM 471 O ILE A 30 -12.793 -15.534 -4.904 1.00 0.00 O ATOM 472 CB ILE A 30 -13.741 -12.913 -3.544 1.00 0.00 C ATOM 473 CG1 ILE A 30 -14.858 -12.016 -3.006 1.00 0.00 C ATOM 474 CG2 ILE A 30 -12.461 -12.115 -3.739 1.00 0.00 C ATOM 475 CD1 ILE A 30 -14.652 -11.591 -1.569 1.00 0.00 C ATOM 0 H ILE A 30 -15.401 -14.944 -3.876 1.00 0.00 H new ATOM 0 HA ILE A 30 -14.397 -12.784 -5.594 1.00 0.00 H new ATOM 0 HB ILE A 30 -13.548 -13.699 -2.814 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -14.932 -11.127 -3.632 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -15.808 -12.544 -3.088 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -12.169 -11.659 -2.793 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.667 -12.779 -4.082 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -12.628 -11.335 -4.482 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -15.481 -10.958 -1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -14.608 -12.474 -0.931 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -13.718 -11.035 -1.484 1.00 0.00 H new ATOM 487 N LEU A 31 -12.318 -13.915 -6.393 1.00 0.00 N ATOM 488 CA LEU A 31 -11.196 -14.636 -6.984 1.00 0.00 C ATOM 489 C LEU A 31 -9.946 -13.763 -7.021 1.00 0.00 C ATOM 490 O LEU A 31 -10.027 -12.539 -6.911 1.00 0.00 O ATOM 491 CB LEU A 31 -11.550 -15.100 -8.398 1.00 0.00 C ATOM 492 CG LEU A 31 -12.937 -15.719 -8.574 1.00 0.00 C ATOM 493 CD1 LEU A 31 -13.095 -16.287 -9.976 1.00 0.00 C ATOM 494 CD2 LEU A 31 -13.176 -16.800 -7.529 1.00 0.00 C ATOM 0 H LEU A 31 -12.499 -13.002 -6.810 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.989 -15.508 -6.363 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.467 -14.246 -9.070 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.805 -15.830 -8.716 1.00 0.00 H new ATOM 0 HG LEU A 31 -13.683 -14.936 -8.435 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.088 -16.723 -10.082 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -12.969 -15.489 -10.708 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -12.341 -17.056 -10.144 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -14.168 -17.229 -7.670 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.424 -17.582 -7.636 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.107 -16.364 -6.532 1.00 0.00 H new ATOM 506 N THR A 32 -8.790 -14.399 -7.179 1.00 0.00 N ATOM 507 CA THR A 32 -7.523 -13.681 -7.232 1.00 0.00 C ATOM 508 C THR A 32 -7.208 -13.227 -8.653 1.00 0.00 C ATOM 509 O THR A 32 -7.056 -14.047 -9.559 1.00 0.00 O ATOM 510 CB THR A 32 -6.362 -14.550 -6.714 1.00 0.00 C ATOM 511 OG1 THR A 32 -6.797 -15.335 -5.598 1.00 0.00 O ATOM 512 CG2 THR A 32 -5.180 -13.685 -6.302 1.00 0.00 C ATOM 0 H THR A 32 -8.705 -15.411 -7.273 1.00 0.00 H new ATOM 0 HA THR A 32 -7.628 -12.807 -6.589 1.00 0.00 H new ATOM 0 HB THR A 32 -6.045 -15.211 -7.521 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.053 -15.886 -5.276 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.372 -14.321 -5.940 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.832 -13.111 -7.161 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.487 -13.002 -5.510 1.00 0.00 H new ATOM 520 N LEU A 33 -7.109 -11.915 -8.841 1.00 0.00 N ATOM 521 CA LEU A 33 -6.810 -11.351 -10.153 1.00 0.00 C ATOM 522 C LEU A 33 -5.381 -11.677 -10.573 1.00 0.00 C ATOM 523 O LEU A 33 -4.438 -11.487 -9.804 1.00 0.00 O ATOM 524 CB LEU A 33 -7.017 -9.836 -10.138 1.00 0.00 C ATOM 525 CG LEU A 33 -7.334 -9.188 -11.486 1.00 0.00 C ATOM 526 CD1 LEU A 33 -6.158 -9.335 -12.439 1.00 0.00 C ATOM 527 CD2 LEU A 33 -8.591 -9.798 -12.088 1.00 0.00 C ATOM 0 H LEU A 33 -7.231 -11.223 -8.102 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.492 -11.797 -10.877 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.829 -9.607 -9.448 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.117 -9.371 -9.737 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.512 -8.125 -11.324 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.402 -8.868 -13.393 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.280 -8.850 -12.012 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.947 -10.393 -12.596 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.802 -9.325 -13.047 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.441 -10.868 -12.236 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.432 -9.639 -11.413 1.00 0.00 H new ATOM 539 N LEU A 34 -5.226 -12.165 -11.799 1.00 0.00 N ATOM 540 CA LEU A 34 -3.911 -12.515 -12.323 1.00 0.00 C ATOM 541 C LEU A 34 -3.592 -11.706 -13.577 1.00 0.00 C ATOM 542 O LEU A 34 -2.479 -11.206 -13.738 1.00 0.00 O ATOM 543 CB LEU A 34 -3.846 -14.010 -12.637 1.00 0.00 C ATOM 544 CG LEU A 34 -3.372 -14.915 -11.499 1.00 0.00 C ATOM 545 CD1 LEU A 34 -4.461 -15.066 -10.448 1.00 0.00 C ATOM 546 CD2 LEU A 34 -2.955 -16.276 -12.037 1.00 0.00 C ATOM 0 H LEU A 34 -5.995 -12.327 -12.449 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.169 -12.278 -11.561 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.838 -14.339 -12.947 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.182 -14.153 -13.489 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.504 -14.451 -11.030 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.106 -15.713 -9.646 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.711 -14.087 -10.040 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.348 -15.506 -10.904 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.621 -16.906 -11.213 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.804 -16.747 -12.533 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.141 -16.151 -12.751 1.00 0.00 H new ATOM 558 N ASN A 35 -4.576 -11.582 -14.461 1.00 0.00 N ATOM 559 CA ASN A 35 -4.401 -10.832 -15.700 1.00 0.00 C ATOM 560 C ASN A 35 -5.620 -9.960 -15.985 1.00 0.00 C ATOM 561 O ASN A 35 -6.747 -10.450 -16.041 1.00 0.00 O ATOM 562 CB ASN A 35 -4.160 -11.789 -16.869 1.00 0.00 C ATOM 563 CG ASN A 35 -3.462 -11.114 -18.034 1.00 0.00 C ATOM 564 OD1 ASN A 35 -4.208 -10.315 -18.788 1.00 0.00 O flip ATOM 565 ND2 ASN A 35 -2.267 -11.309 -18.253 1.00 0.00 N flip ATOM 0 H ASN A 35 -5.503 -11.991 -14.343 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.532 -10.184 -15.584 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.559 -12.631 -16.527 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.114 -12.194 -17.206 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.732 -11.931 -17.647 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.811 -10.848 -19.040 1.00 0.00 H new ATOM 572 N SER A 36 -5.384 -8.664 -16.165 1.00 0.00 N ATOM 573 CA SER A 36 -6.462 -7.722 -16.441 1.00 0.00 C ATOM 574 C SER A 36 -6.119 -6.840 -17.639 1.00 0.00 C ATOM 575 O SER A 36 -6.585 -5.705 -17.743 1.00 0.00 O ATOM 576 CB SER A 36 -6.734 -6.851 -15.213 1.00 0.00 C ATOM 577 OG SER A 36 -5.547 -6.224 -14.760 1.00 0.00 O ATOM 0 H SER A 36 -4.456 -8.243 -16.125 1.00 0.00 H new ATOM 0 HA SER A 36 -7.359 -8.294 -16.678 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.478 -6.093 -15.458 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.153 -7.463 -14.415 1.00 0.00 H new ATOM 0 HG SER A 36 -5.748 -5.672 -13.976 1.00 0.00 H new ATOM 583 N THR A 37 -5.301 -7.371 -18.542 1.00 0.00 N ATOM 584 CA THR A 37 -4.894 -6.634 -19.731 1.00 0.00 C ATOM 585 C THR A 37 -5.783 -6.976 -20.921 1.00 0.00 C ATOM 586 O THR A 37 -5.345 -6.928 -22.069 1.00 0.00 O ATOM 587 CB THR A 37 -3.427 -6.928 -20.100 1.00 0.00 C ATOM 588 OG1 THR A 37 -3.272 -8.314 -20.423 1.00 0.00 O ATOM 589 CG2 THR A 37 -2.497 -6.561 -18.953 1.00 0.00 C ATOM 0 H THR A 37 -4.907 -8.309 -18.472 1.00 0.00 H new ATOM 0 HA THR A 37 -4.997 -5.575 -19.496 1.00 0.00 H new ATOM 0 HB THR A 37 -3.164 -6.322 -20.967 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.584 -8.862 -19.672 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.467 -6.777 -19.236 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.597 -5.499 -18.729 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.760 -7.144 -18.070 1.00 0.00 H new ATOM 597 N ASN A 38 -7.035 -7.321 -20.638 1.00 0.00 N ATOM 598 CA ASN A 38 -7.987 -7.672 -21.686 1.00 0.00 C ATOM 599 C ASN A 38 -9.418 -7.399 -21.235 1.00 0.00 C ATOM 600 O ASN A 38 -10.011 -8.189 -20.499 1.00 0.00 O ATOM 601 CB ASN A 38 -7.834 -9.144 -22.072 1.00 0.00 C ATOM 602 CG ASN A 38 -7.683 -9.338 -23.568 1.00 0.00 C ATOM 603 OD1 ASN A 38 -6.708 -9.928 -24.034 1.00 0.00 O ATOM 604 ND2 ASN A 38 -8.651 -8.840 -24.329 1.00 0.00 N ATOM 0 H ASN A 38 -7.414 -7.365 -19.692 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.775 -7.052 -22.557 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.964 -9.561 -21.565 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.704 -9.700 -21.722 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.605 -8.939 -25.343 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.441 -8.358 -23.899 1.00 0.00 H new ATOM 611 N LYS A 39 -9.969 -6.275 -21.681 1.00 0.00 N ATOM 612 CA LYS A 39 -11.332 -5.897 -21.325 1.00 0.00 C ATOM 613 C LYS A 39 -12.303 -7.041 -21.600 1.00 0.00 C ATOM 614 O LYS A 39 -13.336 -7.162 -20.941 1.00 0.00 O ATOM 615 CB LYS A 39 -11.759 -4.653 -22.108 1.00 0.00 C ATOM 616 CG LYS A 39 -11.730 -4.843 -23.615 1.00 0.00 C ATOM 617 CD LYS A 39 -11.805 -3.513 -24.346 1.00 0.00 C ATOM 618 CE LYS A 39 -10.433 -2.869 -24.473 1.00 0.00 C ATOM 619 NZ LYS A 39 -10.461 -1.675 -25.363 1.00 0.00 N ATOM 0 H LYS A 39 -9.493 -5.610 -22.290 1.00 0.00 H new ATOM 0 HA LYS A 39 -11.354 -5.673 -20.258 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.768 -4.372 -21.805 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -11.103 -3.824 -21.842 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -10.816 -5.365 -23.899 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -12.565 -5.474 -23.919 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -12.230 -3.665 -25.338 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -12.476 -2.840 -23.812 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.076 -2.577 -23.485 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.724 -3.598 -24.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.507 -1.265 -25.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.778 -1.957 -26.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.118 -0.968 -24.975 1.00 0.00 H new ATOM 633 N ASP A 40 -11.964 -7.878 -22.574 1.00 0.00 N ATOM 634 CA ASP A 40 -12.805 -9.014 -22.933 1.00 0.00 C ATOM 635 C ASP A 40 -12.854 -10.033 -21.799 1.00 0.00 C ATOM 636 O ASP A 40 -13.861 -10.151 -21.101 1.00 0.00 O ATOM 637 CB ASP A 40 -12.285 -9.677 -24.209 1.00 0.00 C ATOM 638 CG ASP A 40 -12.278 -8.730 -25.393 1.00 0.00 C ATOM 639 OD1 ASP A 40 -13.324 -8.099 -25.653 1.00 0.00 O ATOM 640 OD2 ASP A 40 -11.228 -8.619 -26.059 1.00 0.00 O ATOM 0 H ASP A 40 -11.113 -7.791 -23.129 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.815 -8.645 -23.110 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.274 -10.046 -24.037 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.905 -10.543 -24.444 1.00 0.00 H new ATOM 645 N TRP A 41 -11.762 -10.768 -21.623 1.00 0.00 N ATOM 646 CA TRP A 41 -11.682 -11.778 -20.574 1.00 0.00 C ATOM 647 C TRP A 41 -10.573 -11.447 -19.582 1.00 0.00 C ATOM 648 O TRP A 41 -9.568 -10.834 -19.944 1.00 0.00 O ATOM 649 CB TRP A 41 -11.440 -13.159 -21.186 1.00 0.00 C ATOM 650 CG TRP A 41 -12.403 -13.501 -22.282 1.00 0.00 C ATOM 651 CD1 TRP A 41 -12.389 -13.027 -23.563 1.00 0.00 C ATOM 652 CD2 TRP A 41 -13.523 -14.388 -22.193 1.00 0.00 C ATOM 653 NE1 TRP A 41 -13.433 -13.566 -24.275 1.00 0.00 N ATOM 654 CE2 TRP A 41 -14.143 -14.405 -23.458 1.00 0.00 C ATOM 655 CE3 TRP A 41 -14.061 -15.172 -21.169 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -15.273 -15.174 -23.722 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -15.183 -15.934 -21.433 1.00 0.00 C ATOM 658 CH2 TRP A 41 -15.779 -15.932 -22.701 1.00 0.00 C ATOM 0 H TRP A 41 -10.920 -10.684 -22.193 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.631 -11.786 -20.039 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.424 -13.201 -21.579 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -11.510 -13.913 -20.402 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.664 -12.331 -23.958 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -13.645 -13.373 -25.254 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -13.608 -15.182 -20.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -15.734 -15.172 -24.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.608 -16.542 -20.648 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -16.654 -16.540 -22.876 1.00 0.00 H new ATOM 669 N TRP A 42 -10.761 -11.854 -18.333 1.00 0.00 N ATOM 670 CA TRP A 42 -9.775 -11.599 -17.289 1.00 0.00 C ATOM 671 C TRP A 42 -9.315 -12.902 -16.645 1.00 0.00 C ATOM 672 O TRP A 42 -10.119 -13.799 -16.391 1.00 0.00 O ATOM 673 CB TRP A 42 -10.358 -10.668 -16.224 1.00 0.00 C ATOM 674 CG TRP A 42 -10.414 -9.234 -16.656 1.00 0.00 C ATOM 675 CD1 TRP A 42 -9.716 -8.658 -17.679 1.00 0.00 C ATOM 676 CD2 TRP A 42 -11.210 -8.195 -16.076 1.00 0.00 C ATOM 677 NE1 TRP A 42 -10.031 -7.323 -17.770 1.00 0.00 N ATOM 678 CE2 TRP A 42 -10.946 -7.015 -16.798 1.00 0.00 C ATOM 679 CE3 TRP A 42 -12.123 -8.147 -15.019 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -11.560 -5.803 -16.494 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -12.731 -6.944 -14.718 1.00 0.00 C ATOM 682 CH2 TRP A 42 -12.449 -5.785 -15.454 1.00 0.00 C ATOM 0 H TRP A 42 -11.587 -12.362 -18.018 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.912 -11.118 -17.749 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.364 -11.003 -15.970 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.758 -10.744 -15.317 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -9.019 -9.175 -18.322 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -9.646 -6.668 -18.451 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -12.349 -9.035 -14.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -11.342 -4.909 -17.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -13.436 -6.895 -13.901 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.943 -4.860 -15.195 1.00 0.00 H new ATOM 693 N LYS A 43 -8.016 -13.001 -16.383 1.00 0.00 N ATOM 694 CA LYS A 43 -7.448 -14.195 -15.767 1.00 0.00 C ATOM 695 C LYS A 43 -7.506 -14.102 -14.246 1.00 0.00 C ATOM 696 O LYS A 43 -6.990 -13.155 -13.652 1.00 0.00 O ATOM 697 CB LYS A 43 -6.000 -14.389 -16.222 1.00 0.00 C ATOM 698 CG LYS A 43 -5.503 -15.817 -16.078 1.00 0.00 C ATOM 699 CD LYS A 43 -4.091 -15.973 -16.618 1.00 0.00 C ATOM 700 CE LYS A 43 -4.092 -16.211 -18.120 1.00 0.00 C ATOM 701 NZ LYS A 43 -2.725 -16.097 -18.700 1.00 0.00 N ATOM 0 H LYS A 43 -7.336 -12.268 -16.588 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.040 -15.054 -16.084 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.912 -14.086 -17.265 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.355 -13.728 -15.643 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.526 -16.107 -15.028 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.174 -16.492 -16.610 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.512 -15.078 -16.391 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.599 -16.806 -16.117 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.494 -17.202 -18.331 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.752 -15.490 -18.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.768 -16.266 -19.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.351 -15.143 -18.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.101 -16.802 -18.259 1.00 0.00 H new ATOM 715 N VAL A 44 -8.135 -15.091 -13.620 1.00 0.00 N ATOM 716 CA VAL A 44 -8.258 -15.122 -12.168 1.00 0.00 C ATOM 717 C VAL A 44 -7.950 -16.511 -11.619 1.00 0.00 C ATOM 718 O VAL A 44 -7.843 -17.477 -12.374 1.00 0.00 O ATOM 719 CB VAL A 44 -9.669 -14.705 -11.714 1.00 0.00 C ATOM 720 CG1 VAL A 44 -9.955 -13.266 -12.115 1.00 0.00 C ATOM 721 CG2 VAL A 44 -10.714 -15.646 -12.294 1.00 0.00 C ATOM 0 H VAL A 44 -8.568 -15.882 -14.096 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.533 -14.410 -11.775 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.717 -14.771 -10.627 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.956 -12.989 -11.786 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.224 -12.606 -11.648 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.890 -13.171 -13.199 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -11.706 -15.337 -11.963 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.668 -15.614 -13.383 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.518 -16.662 -11.952 1.00 0.00 H new ATOM 731 N GLU A 45 -7.808 -16.603 -10.301 1.00 0.00 N ATOM 732 CA GLU A 45 -7.512 -17.875 -9.652 1.00 0.00 C ATOM 733 C GLU A 45 -8.554 -18.196 -8.584 1.00 0.00 C ATOM 734 O GLU A 45 -9.008 -17.312 -7.857 1.00 0.00 O ATOM 735 CB GLU A 45 -6.117 -17.840 -9.025 1.00 0.00 C ATOM 736 CG GLU A 45 -5.732 -19.133 -8.325 1.00 0.00 C ATOM 737 CD GLU A 45 -4.281 -19.148 -7.885 1.00 0.00 C ATOM 738 OE1 GLU A 45 -3.645 -18.072 -7.900 1.00 0.00 O ATOM 739 OE2 GLU A 45 -3.781 -20.234 -7.525 1.00 0.00 O ATOM 0 H GLU A 45 -7.893 -15.813 -9.662 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.542 -18.657 -10.411 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.384 -17.625 -9.802 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.071 -17.021 -8.308 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.373 -19.276 -7.455 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.913 -19.973 -8.996 1.00 0.00 H new ATOM 746 N VAL A 46 -8.928 -19.469 -8.495 1.00 0.00 N ATOM 747 CA VAL A 46 -9.916 -19.908 -7.516 1.00 0.00 C ATOM 748 C VAL A 46 -9.391 -21.081 -6.695 1.00 0.00 C ATOM 749 O VAL A 46 -8.280 -21.562 -6.918 1.00 0.00 O ATOM 750 CB VAL A 46 -11.235 -20.321 -8.196 1.00 0.00 C ATOM 751 CG1 VAL A 46 -11.754 -19.198 -9.080 1.00 0.00 C ATOM 752 CG2 VAL A 46 -11.042 -21.598 -9.000 1.00 0.00 C ATOM 0 H VAL A 46 -8.562 -20.214 -9.088 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.106 -19.062 -6.856 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.978 -20.515 -7.422 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.686 -19.508 -9.552 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.932 -18.310 -8.473 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.016 -18.970 -9.849 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.984 -21.876 -9.474 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.285 -21.434 -9.767 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.719 -22.400 -8.337 1.00 0.00 H new ATOM 762 N LYS A 47 -10.198 -21.538 -5.743 1.00 0.00 N ATOM 763 CA LYS A 47 -9.817 -22.656 -4.888 1.00 0.00 C ATOM 764 C LYS A 47 -11.026 -23.529 -4.565 1.00 0.00 C ATOM 765 O LYS A 47 -12.136 -23.028 -4.389 1.00 0.00 O ATOM 766 CB LYS A 47 -9.184 -22.142 -3.593 1.00 0.00 C ATOM 767 CG LYS A 47 -10.189 -21.555 -2.617 1.00 0.00 C ATOM 768 CD LYS A 47 -9.519 -21.116 -1.325 1.00 0.00 C ATOM 769 CE LYS A 47 -8.478 -20.037 -1.576 1.00 0.00 C ATOM 770 NZ LYS A 47 -9.048 -18.879 -2.319 1.00 0.00 N ATOM 0 H LYS A 47 -11.121 -21.151 -5.544 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.087 -23.261 -5.426 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.654 -22.961 -3.107 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.441 -21.383 -3.838 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.689 -20.703 -3.077 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -10.958 -22.295 -2.396 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.273 -20.742 -0.632 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.047 -21.975 -0.849 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.073 -19.694 -0.624 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.647 -20.458 -2.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.383 -18.080 -2.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.208 -19.148 -3.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.951 -18.599 -1.886 1.00 0.00 H new ATOM 784 N ALA A 48 -10.801 -24.836 -4.486 1.00 0.00 N ATOM 785 CA ALA A 48 -11.871 -25.778 -4.179 1.00 0.00 C ATOM 786 C ALA A 48 -12.235 -25.732 -2.700 1.00 0.00 C ATOM 787 O ALA A 48 -11.707 -24.915 -1.944 1.00 0.00 O ATOM 788 CB ALA A 48 -11.463 -27.188 -4.581 1.00 0.00 C ATOM 0 H ALA A 48 -9.888 -25.267 -4.630 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.752 -25.489 -4.752 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.271 -27.881 -4.346 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -11.260 -27.217 -5.651 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -10.566 -27.477 -4.033 1.00 0.00 H new ATOM 794 N THR A 49 -13.143 -26.613 -2.291 1.00 0.00 N ATOM 795 CA THR A 49 -13.580 -26.672 -0.902 1.00 0.00 C ATOM 796 C THR A 49 -13.919 -28.100 -0.491 1.00 0.00 C ATOM 797 O THR A 49 -14.975 -28.624 -0.846 1.00 0.00 O ATOM 798 CB THR A 49 -14.809 -25.775 -0.661 1.00 0.00 C ATOM 799 OG1 THR A 49 -14.768 -24.642 -1.535 1.00 0.00 O ATOM 800 CG2 THR A 49 -14.862 -25.305 0.785 1.00 0.00 C ATOM 0 H THR A 49 -13.590 -27.296 -2.903 1.00 0.00 H new ATOM 0 HA THR A 49 -12.750 -26.310 -0.295 1.00 0.00 H new ATOM 0 HB THR A 49 -15.704 -26.361 -0.869 1.00 0.00 H new ATOM 0 HG1 THR A 49 -15.554 -24.078 -1.376 1.00 0.00 H new ATOM 0 HG21 THR A 49 -15.738 -24.673 0.930 1.00 0.00 H new ATOM 0 HG22 THR A 49 -14.924 -26.169 1.446 1.00 0.00 H new ATOM 0 HG23 THR A 49 -13.962 -24.735 1.016 1.00 0.00 H new ATOM 808 N ALA A 50 -13.017 -28.725 0.258 1.00 0.00 N ATOM 809 CA ALA A 50 -13.223 -30.093 0.719 1.00 0.00 C ATOM 810 C ALA A 50 -13.448 -30.136 2.226 1.00 0.00 C ATOM 811 O ALA A 50 -13.523 -29.098 2.882 1.00 0.00 O ATOM 812 CB ALA A 50 -12.035 -30.963 0.336 1.00 0.00 C ATOM 0 H ALA A 50 -12.137 -28.306 0.559 1.00 0.00 H new ATOM 0 HA ALA A 50 -14.117 -30.483 0.233 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.202 -31.982 0.686 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.921 -30.966 -0.748 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -11.130 -30.565 0.795 1.00 0.00 H new ATOM 818 N ASN A 51 -13.557 -31.345 2.769 1.00 0.00 N ATOM 819 CA ASN A 51 -13.776 -31.523 4.200 1.00 0.00 C ATOM 820 C ASN A 51 -12.743 -30.743 5.009 1.00 0.00 C ATOM 821 O ASN A 51 -13.095 -29.940 5.873 1.00 0.00 O ATOM 822 CB ASN A 51 -13.712 -33.007 4.566 1.00 0.00 C ATOM 823 CG ASN A 51 -12.542 -33.715 3.910 1.00 0.00 C ATOM 824 OD1 ASN A 51 -11.433 -33.730 4.443 1.00 0.00 O ATOM 825 ND2 ASN A 51 -12.786 -34.305 2.746 1.00 0.00 N ATOM 0 H ASN A 51 -13.497 -32.215 2.240 1.00 0.00 H new ATOM 0 HA ASN A 51 -14.767 -31.139 4.442 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -13.634 -33.108 5.648 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -14.641 -33.492 4.267 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -12.038 -34.796 2.257 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -13.721 -34.267 2.341 1.00 0.00 H new ATOM 832 N ASP A 52 -11.469 -30.987 4.723 1.00 0.00 N ATOM 833 CA ASP A 52 -10.385 -30.307 5.423 1.00 0.00 C ATOM 834 C ASP A 52 -9.231 -30.005 4.473 1.00 0.00 C ATOM 835 O ASP A 52 -8.092 -29.816 4.902 1.00 0.00 O ATOM 836 CB ASP A 52 -9.890 -31.160 6.592 1.00 0.00 C ATOM 837 CG ASP A 52 -10.917 -31.273 7.701 1.00 0.00 C ATOM 838 OD1 ASP A 52 -10.940 -30.388 8.581 1.00 0.00 O ATOM 839 OD2 ASP A 52 -11.698 -32.248 7.690 1.00 0.00 O ATOM 0 H ASP A 52 -11.161 -31.650 4.012 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.770 -29.364 5.810 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.639 -32.157 6.230 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.974 -30.726 6.992 1.00 0.00 H new ATOM 844 N LYS A 53 -9.531 -29.962 3.179 1.00 0.00 N ATOM 845 CA LYS A 53 -8.520 -29.683 2.167 1.00 0.00 C ATOM 846 C LYS A 53 -9.009 -28.622 1.186 1.00 0.00 C ATOM 847 O LYS A 53 -10.212 -28.468 0.970 1.00 0.00 O ATOM 848 CB LYS A 53 -8.159 -30.963 1.410 1.00 0.00 C ATOM 849 CG LYS A 53 -6.718 -31.001 0.930 1.00 0.00 C ATOM 850 CD LYS A 53 -6.589 -30.467 -0.487 1.00 0.00 C ATOM 851 CE LYS A 53 -5.466 -31.160 -1.243 1.00 0.00 C ATOM 852 NZ LYS A 53 -5.719 -32.620 -1.396 1.00 0.00 N ATOM 0 H LYS A 53 -10.468 -30.117 2.807 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.632 -29.304 2.673 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.340 -31.821 2.057 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.822 -31.066 0.551 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.094 -30.410 1.601 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.347 -32.025 0.969 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.530 -30.611 -1.018 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.401 -29.394 -0.457 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.356 -30.705 -2.228 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.525 -31.008 -0.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.025 -33.025 -2.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.631 -33.087 -0.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.679 -32.769 -1.768 1.00 0.00 H new ATOM 866 N THR A 54 -8.070 -27.892 0.594 1.00 0.00 N ATOM 867 CA THR A 54 -8.405 -26.846 -0.364 1.00 0.00 C ATOM 868 C THR A 54 -7.502 -26.912 -1.590 1.00 0.00 C ATOM 869 O THR A 54 -6.282 -26.786 -1.482 1.00 0.00 O ATOM 870 CB THR A 54 -8.290 -25.446 0.269 1.00 0.00 C ATOM 871 OG1 THR A 54 -8.245 -25.556 1.696 1.00 0.00 O ATOM 872 CG2 THR A 54 -9.463 -24.569 -0.140 1.00 0.00 C ATOM 0 H THR A 54 -7.070 -28.006 0.761 1.00 0.00 H new ATOM 0 HA THR A 54 -9.438 -27.016 -0.668 1.00 0.00 H new ATOM 0 HB THR A 54 -7.370 -24.984 -0.089 1.00 0.00 H new ATOM 0 HG1 THR A 54 -8.170 -24.662 2.091 1.00 0.00 H new ATOM 0 HG21 THR A 54 -9.360 -23.586 0.319 1.00 0.00 H new ATOM 0 HG22 THR A 54 -9.477 -24.463 -1.225 1.00 0.00 H new ATOM 0 HG23 THR A 54 -10.394 -25.028 0.192 1.00 0.00 H new ATOM 880 N TYR A 55 -8.108 -27.110 -2.755 1.00 0.00 N ATOM 881 CA TYR A 55 -7.357 -27.195 -4.003 1.00 0.00 C ATOM 882 C TYR A 55 -7.249 -25.826 -4.668 1.00 0.00 C ATOM 883 O TYR A 55 -7.941 -24.883 -4.286 1.00 0.00 O ATOM 884 CB TYR A 55 -8.024 -28.187 -4.957 1.00 0.00 C ATOM 885 CG TYR A 55 -8.125 -29.589 -4.400 1.00 0.00 C ATOM 886 CD1 TYR A 55 -9.085 -29.913 -3.450 1.00 0.00 C ATOM 887 CD2 TYR A 55 -7.259 -30.590 -4.824 1.00 0.00 C ATOM 888 CE1 TYR A 55 -9.181 -31.192 -2.937 1.00 0.00 C ATOM 889 CE2 TYR A 55 -7.348 -31.873 -4.318 1.00 0.00 C ATOM 890 CZ TYR A 55 -8.310 -32.169 -3.375 1.00 0.00 C ATOM 891 OH TYR A 55 -8.402 -33.445 -2.868 1.00 0.00 O ATOM 0 H TYR A 55 -9.117 -27.215 -2.862 1.00 0.00 H new ATOM 0 HA TYR A 55 -6.352 -27.546 -3.770 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.024 -27.828 -5.199 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -7.461 -28.215 -5.890 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.769 -29.151 -3.106 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.504 -30.361 -5.561 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -9.933 -31.426 -2.198 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -6.668 -32.640 -4.659 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.717 -34.011 -3.281 1.00 0.00 H new ATOM 901 N GLU A 56 -6.377 -25.728 -5.666 1.00 0.00 N ATOM 902 CA GLU A 56 -6.178 -24.475 -6.385 1.00 0.00 C ATOM 903 C GLU A 56 -6.419 -24.661 -7.880 1.00 0.00 C ATOM 904 O GLU A 56 -6.074 -25.696 -8.451 1.00 0.00 O ATOM 905 CB GLU A 56 -4.762 -23.944 -6.147 1.00 0.00 C ATOM 906 CG GLU A 56 -4.365 -23.904 -4.681 1.00 0.00 C ATOM 907 CD GLU A 56 -3.069 -23.152 -4.448 1.00 0.00 C ATOM 908 OE1 GLU A 56 -2.317 -22.951 -5.425 1.00 0.00 O ATOM 909 OE2 GLU A 56 -2.807 -22.765 -3.291 1.00 0.00 O ATOM 0 H GLU A 56 -5.798 -26.500 -5.995 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.899 -23.750 -6.006 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.053 -24.569 -6.690 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.685 -22.939 -6.563 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.162 -23.434 -4.105 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.261 -24.923 -4.309 1.00 0.00 H new ATOM 916 N ARG A 57 -7.014 -23.652 -8.507 1.00 0.00 N ATOM 917 CA ARG A 57 -7.303 -23.705 -9.935 1.00 0.00 C ATOM 918 C ARG A 57 -7.231 -22.313 -10.556 1.00 0.00 C ATOM 919 O ARG A 57 -8.027 -21.434 -10.227 1.00 0.00 O ATOM 920 CB ARG A 57 -8.688 -24.310 -10.175 1.00 0.00 C ATOM 921 CG ARG A 57 -9.002 -24.550 -11.642 1.00 0.00 C ATOM 922 CD ARG A 57 -10.268 -25.375 -11.813 1.00 0.00 C ATOM 923 NE ARG A 57 -10.001 -26.809 -11.742 1.00 0.00 N ATOM 924 CZ ARG A 57 -10.953 -27.735 -11.740 1.00 0.00 C ATOM 925 NH1 ARG A 57 -12.228 -27.379 -11.807 1.00 0.00 N ATOM 926 NH2 ARG A 57 -10.630 -29.020 -11.673 1.00 0.00 N ATOM 0 H ARG A 57 -7.305 -22.788 -8.049 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.551 -24.336 -10.409 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.760 -25.255 -9.637 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.443 -23.646 -9.755 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.118 -23.593 -12.152 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.165 -25.064 -12.115 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.986 -25.101 -11.040 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.728 -25.139 -12.773 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.030 -27.116 -11.691 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.480 -26.392 -11.860 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.957 -28.092 -11.805 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.650 -29.298 -11.623 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.362 -29.730 -11.672 1.00 0.00 H new ATOM 940 N GLN A 58 -6.271 -22.121 -11.456 1.00 0.00 N ATOM 941 CA GLN A 58 -6.095 -20.836 -12.121 1.00 0.00 C ATOM 942 C GLN A 58 -6.626 -20.885 -13.550 1.00 0.00 C ATOM 943 O GLN A 58 -6.247 -21.754 -14.334 1.00 0.00 O ATOM 944 CB GLN A 58 -4.617 -20.439 -12.128 1.00 0.00 C ATOM 945 CG GLN A 58 -4.003 -20.359 -10.739 1.00 0.00 C ATOM 946 CD GLN A 58 -2.531 -20.722 -10.730 1.00 0.00 C ATOM 947 OE1 GLN A 58 -2.104 -21.646 -11.423 1.00 0.00 O ATOM 948 NE2 GLN A 58 -1.747 -19.995 -9.944 1.00 0.00 N ATOM 0 H GLN A 58 -5.604 -22.839 -11.741 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.663 -20.089 -11.567 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.058 -21.162 -12.723 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.511 -19.472 -12.619 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.127 -19.349 -10.349 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.542 -21.028 -10.068 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.144 -19.238 -9.387 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.747 -20.193 -9.897 1.00 0.00 H new ATOM 957 N GLY A 59 -7.507 -19.946 -13.882 1.00 0.00 N ATOM 958 CA GLY A 59 -8.076 -19.901 -15.216 1.00 0.00 C ATOM 959 C GLY A 59 -8.485 -18.500 -15.625 1.00 0.00 C ATOM 960 O GLY A 59 -7.954 -17.515 -15.111 1.00 0.00 O ATOM 0 H GLY A 59 -7.837 -19.216 -13.251 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.349 -20.287 -15.931 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.945 -20.557 -15.259 1.00 0.00 H new ATOM 964 N PHE A 60 -9.431 -18.409 -16.553 1.00 0.00 N ATOM 965 CA PHE A 60 -9.909 -17.117 -17.033 1.00 0.00 C ATOM 966 C PHE A 60 -11.432 -17.045 -16.974 1.00 0.00 C ATOM 967 O PHE A 60 -12.106 -18.055 -16.771 1.00 0.00 O ATOM 968 CB PHE A 60 -9.432 -16.873 -18.466 1.00 0.00 C ATOM 969 CG PHE A 60 -10.185 -17.670 -19.493 1.00 0.00 C ATOM 970 CD1 PHE A 60 -11.341 -17.167 -20.068 1.00 0.00 C ATOM 971 CD2 PHE A 60 -9.737 -18.921 -19.884 1.00 0.00 C ATOM 972 CE1 PHE A 60 -12.036 -17.898 -21.013 1.00 0.00 C ATOM 973 CE2 PHE A 60 -10.427 -19.657 -20.828 1.00 0.00 C ATOM 974 CZ PHE A 60 -11.578 -19.144 -21.394 1.00 0.00 C ATOM 0 H PHE A 60 -9.882 -19.214 -16.988 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.500 -16.343 -16.384 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.530 -15.812 -18.697 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -8.372 -17.117 -18.534 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -11.703 -16.193 -19.774 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -8.837 -19.326 -19.445 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -12.936 -17.495 -21.453 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.067 -20.632 -21.123 1.00 0.00 H new ATOM 0 HZ PHE A 60 -12.119 -19.716 -22.133 1.00 0.00 H new ATOM 984 N VAL A 61 -11.969 -15.842 -17.151 1.00 0.00 N ATOM 985 CA VAL A 61 -13.412 -15.636 -17.119 1.00 0.00 C ATOM 986 C VAL A 61 -13.800 -14.350 -17.840 1.00 0.00 C ATOM 987 O VAL A 61 -12.984 -13.451 -18.040 1.00 0.00 O ATOM 988 CB VAL A 61 -13.938 -15.580 -15.672 1.00 0.00 C ATOM 989 CG1 VAL A 61 -14.338 -16.967 -15.195 1.00 0.00 C ATOM 990 CG2 VAL A 61 -12.894 -14.970 -14.749 1.00 0.00 C ATOM 0 H VAL A 61 -11.426 -14.995 -17.318 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.865 -16.486 -17.630 1.00 0.00 H new ATOM 0 HB VAL A 61 -14.824 -14.945 -15.650 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.707 -16.907 -14.171 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -15.122 -17.362 -15.841 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.472 -17.628 -15.231 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -13.282 -14.938 -13.731 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.988 -15.576 -14.773 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.662 -13.958 -15.081 1.00 0.00 H new ATOM 1000 N PRO A 62 -15.077 -14.258 -18.239 1.00 0.00 N ATOM 1001 CA PRO A 62 -15.604 -13.085 -18.943 1.00 0.00 C ATOM 1002 C PRO A 62 -15.696 -11.860 -18.040 1.00 0.00 C ATOM 1003 O PRO A 62 -16.331 -11.899 -16.987 1.00 0.00 O ATOM 1004 CB PRO A 62 -17.001 -13.532 -19.381 1.00 0.00 C ATOM 1005 CG PRO A 62 -17.383 -14.591 -18.406 1.00 0.00 C ATOM 1006 CD PRO A 62 -16.106 -15.292 -18.033 1.00 0.00 C ATOM 0 HA PRO A 62 -14.960 -12.782 -19.769 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -17.707 -12.702 -19.360 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -16.992 -13.917 -20.401 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -17.861 -14.158 -17.527 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -18.096 -15.288 -18.846 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -16.125 -15.640 -17.000 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -15.929 -16.166 -18.660 1.00 0.00 H new ATOM 1014 N ALA A 63 -15.058 -10.772 -18.460 1.00 0.00 N ATOM 1015 CA ALA A 63 -15.069 -9.534 -17.690 1.00 0.00 C ATOM 1016 C ALA A 63 -16.481 -8.967 -17.586 1.00 0.00 C ATOM 1017 O ALA A 63 -16.749 -8.092 -16.762 1.00 0.00 O ATOM 1018 CB ALA A 63 -14.133 -8.513 -18.319 1.00 0.00 C ATOM 0 H ALA A 63 -14.527 -10.723 -19.329 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.719 -9.758 -16.682 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.151 -7.594 -17.734 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.119 -8.912 -18.337 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.457 -8.301 -19.338 1.00 0.00 H new ATOM 1024 N ALA A 64 -17.380 -9.469 -18.426 1.00 0.00 N ATOM 1025 CA ALA A 64 -18.764 -9.013 -18.426 1.00 0.00 C ATOM 1026 C ALA A 64 -19.556 -9.660 -17.296 1.00 0.00 C ATOM 1027 O ALA A 64 -20.725 -9.338 -17.080 1.00 0.00 O ATOM 1028 CB ALA A 64 -19.417 -9.309 -19.768 1.00 0.00 C ATOM 0 H ALA A 64 -17.174 -10.192 -19.115 1.00 0.00 H new ATOM 0 HA ALA A 64 -18.765 -7.935 -18.263 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.451 -8.963 -19.754 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.873 -8.793 -20.559 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -19.396 -10.383 -19.954 1.00 0.00 H new ATOM 1034 N TYR A 65 -18.914 -10.575 -16.578 1.00 0.00 N ATOM 1035 CA TYR A 65 -19.560 -11.271 -15.472 1.00 0.00 C ATOM 1036 C TYR A 65 -18.747 -11.126 -14.189 1.00 0.00 C ATOM 1037 O TYR A 65 -18.972 -11.843 -13.213 1.00 0.00 O ATOM 1038 CB TYR A 65 -19.742 -12.752 -15.809 1.00 0.00 C ATOM 1039 CG TYR A 65 -20.729 -13.001 -16.927 1.00 0.00 C ATOM 1040 CD1 TYR A 65 -20.436 -12.632 -18.234 1.00 0.00 C ATOM 1041 CD2 TYR A 65 -21.954 -13.605 -16.676 1.00 0.00 C ATOM 1042 CE1 TYR A 65 -21.335 -12.857 -19.259 1.00 0.00 C ATOM 1043 CE2 TYR A 65 -22.859 -13.836 -17.695 1.00 0.00 C ATOM 1044 CZ TYR A 65 -22.544 -13.460 -18.984 1.00 0.00 C ATOM 1045 OH TYR A 65 -23.443 -13.687 -20.001 1.00 0.00 O ATOM 0 H TYR A 65 -17.946 -10.852 -16.742 1.00 0.00 H new ATOM 0 HA TYR A 65 -20.539 -10.819 -15.314 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.776 -13.174 -16.087 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -20.076 -13.281 -14.916 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -19.489 -12.161 -18.453 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -22.204 -13.899 -15.667 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -21.092 -12.562 -20.269 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -23.807 -14.308 -17.483 1.00 0.00 H new ATOM 0 HH TYR A 65 -24.244 -14.120 -19.639 1.00 0.00 H new ATOM 1055 N VAL A 66 -17.802 -10.192 -14.197 1.00 0.00 N ATOM 1056 CA VAL A 66 -16.956 -9.950 -13.034 1.00 0.00 C ATOM 1057 C VAL A 66 -16.510 -8.493 -12.973 1.00 0.00 C ATOM 1058 O VAL A 66 -16.423 -7.815 -13.997 1.00 0.00 O ATOM 1059 CB VAL A 66 -15.711 -10.856 -13.048 1.00 0.00 C ATOM 1060 CG1 VAL A 66 -16.117 -12.321 -13.094 1.00 0.00 C ATOM 1061 CG2 VAL A 66 -14.810 -10.507 -14.223 1.00 0.00 C ATOM 0 H VAL A 66 -17.603 -9.590 -14.996 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.555 -10.181 -12.153 1.00 0.00 H new ATOM 0 HB VAL A 66 -15.151 -10.687 -12.128 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -15.224 -12.946 -13.103 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -16.718 -12.560 -12.216 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.701 -12.509 -13.995 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -13.935 -11.157 -14.217 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -15.358 -10.645 -15.155 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -14.490 -9.468 -14.140 1.00 0.00 H new ATOM 1071 N LYS A 67 -16.227 -8.017 -11.765 1.00 0.00 N ATOM 1072 CA LYS A 67 -15.788 -6.641 -11.568 1.00 0.00 C ATOM 1073 C LYS A 67 -14.831 -6.540 -10.385 1.00 0.00 C ATOM 1074 O LYS A 67 -15.111 -7.050 -9.300 1.00 0.00 O ATOM 1075 CB LYS A 67 -16.994 -5.726 -11.341 1.00 0.00 C ATOM 1076 CG LYS A 67 -16.620 -4.271 -11.121 1.00 0.00 C ATOM 1077 CD LYS A 67 -16.272 -3.580 -12.429 1.00 0.00 C ATOM 1078 CE LYS A 67 -17.506 -3.366 -13.292 1.00 0.00 C ATOM 1079 NZ LYS A 67 -17.338 -2.218 -14.225 1.00 0.00 N ATOM 0 H LYS A 67 -16.294 -8.565 -10.907 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.262 -6.322 -12.468 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -17.659 -5.795 -12.202 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -17.553 -6.084 -10.476 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -17.449 -3.750 -10.643 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.771 -4.212 -10.440 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.802 -2.619 -12.220 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.544 -4.179 -12.976 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -17.711 -4.271 -13.863 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -18.371 -3.190 -12.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.200 -2.105 -14.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.168 -1.349 -13.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.529 -2.397 -14.853 1.00 0.00 H new ATOM 1093 N LYS A 68 -13.699 -5.877 -10.600 1.00 0.00 N ATOM 1094 CA LYS A 68 -12.701 -5.706 -9.551 1.00 0.00 C ATOM 1095 C LYS A 68 -13.308 -5.028 -8.327 1.00 0.00 C ATOM 1096 O LYS A 68 -14.189 -4.176 -8.450 1.00 0.00 O ATOM 1097 CB LYS A 68 -11.521 -4.882 -10.072 1.00 0.00 C ATOM 1098 CG LYS A 68 -10.243 -5.080 -9.275 1.00 0.00 C ATOM 1099 CD LYS A 68 -9.070 -4.356 -9.915 1.00 0.00 C ATOM 1100 CE LYS A 68 -8.492 -5.149 -11.077 1.00 0.00 C ATOM 1101 NZ LYS A 68 -7.934 -4.260 -12.133 1.00 0.00 N ATOM 0 H LYS A 68 -13.450 -5.449 -11.492 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.345 -6.694 -9.257 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.335 -5.147 -11.113 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.790 -3.826 -10.055 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.387 -4.714 -8.258 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.019 -6.144 -9.202 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.394 -3.377 -10.267 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.295 -4.186 -9.168 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.709 -5.812 -10.710 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.269 -5.781 -11.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.550 -4.839 -12.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.687 -3.644 -12.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.175 -3.675 -11.729 1.00 0.00 H new ATOM 1115 N LEU A 69 -12.831 -5.410 -7.148 1.00 0.00 N ATOM 1116 CA LEU A 69 -13.326 -4.837 -5.901 1.00 0.00 C ATOM 1117 C LEU A 69 -12.419 -3.709 -5.422 1.00 0.00 C ATOM 1118 O LEU A 69 -12.867 -2.579 -5.225 1.00 0.00 O ATOM 1119 CB LEU A 69 -13.426 -5.919 -4.824 1.00 0.00 C ATOM 1120 CG LEU A 69 -14.637 -6.847 -4.915 1.00 0.00 C ATOM 1121 CD1 LEU A 69 -14.302 -8.219 -4.348 1.00 0.00 C ATOM 1122 CD2 LEU A 69 -15.828 -6.243 -4.186 1.00 0.00 C ATOM 0 H LEU A 69 -12.102 -6.114 -7.029 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.318 -4.426 -6.088 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.523 -6.528 -4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.439 -5.432 -3.849 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.902 -6.965 -5.966 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.176 -8.866 -4.421 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.479 -8.655 -4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -14.011 -8.119 -3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -16.681 -6.917 -4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.575 -6.094 -3.136 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.083 -5.284 -4.637 1.00 0.00 H new ATOM 1134 N ASP A 70 -11.141 -4.022 -5.238 1.00 0.00 N ATOM 1135 CA ASP A 70 -10.169 -3.033 -4.786 1.00 0.00 C ATOM 1136 C ASP A 70 -9.847 -2.039 -5.897 1.00 0.00 C ATOM 1137 O ASP A 70 -9.480 -2.431 -7.006 1.00 0.00 O ATOM 1138 CB ASP A 70 -8.888 -3.724 -4.315 1.00 0.00 C ATOM 1139 CG ASP A 70 -7.949 -2.775 -3.597 1.00 0.00 C ATOM 1140 OD1 ASP A 70 -8.354 -2.213 -2.559 1.00 0.00 O ATOM 1141 OD2 ASP A 70 -6.808 -2.594 -4.074 1.00 0.00 O ATOM 0 H ASP A 70 -10.754 -4.953 -5.395 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.606 -2.486 -3.950 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.147 -4.548 -3.649 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.375 -4.157 -5.174 1.00 0.00 H new TER 1146 ASP A 70