USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 835 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 78 MET CE :methyl 180:sc=-0.00189 (180deg=-0.00189) USER MOD Set 1.2: A 85 LYS NZ :NH3+ -167:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 2.22 (180deg=2.15) USER MOD Single : A 7 ASN : amide:sc= -1.17 K(o=-1.2,f=-2.6) USER MOD Single : A 10 THR OG1 : rot -160:sc= 0.917 USER MOD Single : A 12 LYS NZ :NH3+ -134:sc= 0.483 (180deg=-0.0481) USER MOD Single : A 13 ASN : amide:sc= 0.289 X(o=0.29,f=0) USER MOD Single : A 18 SER OG : rot -109:sc= 1.32 USER MOD Single : A 19 SER OG : rot 180:sc= 0.457 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0204) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -176:sc= 0.637 (180deg=0.619) USER MOD Single : A 54 CYS SG : rot -164:sc= -0.151 USER MOD Single : A 56 LYS NZ :NH3+ -178:sc= 1.21 (180deg=1.19) USER MOD Single : A 58 ASN : amide:sc= 0.351 K(o=0.35,f=-9.8!) USER MOD Single : A 59 THR OG1 : rot 84:sc= 1.04 USER MOD Single : A 62 SER OG : rot -57:sc= 0.0799 USER MOD Single : A 64 ASN : amide:sc= 1.16 K(o=1.2,f=-0.76) USER MOD Single : A 67 SER OG : rot -68:sc= 1.13 USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 73 SER OG : rot -150:sc= 0.287 USER MOD Single : A 76 THR OG1 : rot 11:sc= 0.502 USER MOD Single : A 81 LYS NZ :NH3+ -161:sc= 0.673 (180deg=0.477) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 CYS SG : rot 180:sc= -0.566 USER MOD Single : A 88 THR OG1 : rot 31:sc= 1.17 USER MOD Single : A 95 LYS NZ :NH3+ 156:sc= 1.84 (180deg=1.15) USER MOD Single : A 97 THR OG1 : rot -170:sc= 0.0314 USER MOD Single : A 100 GLN : amide:sc= -0.941 X(o=-0.94,f=-0.67) USER MOD Single : A 101 THR OG1 : rot 78:sc= 1.21 USER MOD Single : A 104 LYS NZ :NH3+ -136:sc= 0.715 (180deg=-1.95) USER MOD Single : A 105 TYR OH : rot -158:sc= 1.16 USER MOD Single : A 107 ASN : amide:sc= 0.857 K(o=0.86,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.499 -2.699 -11.759 1.00 0.00 N ATOM 2 CA MET A 1 -1.067 -1.993 -12.924 1.00 0.00 C ATOM 3 C MET A 1 -2.375 -1.290 -12.544 1.00 0.00 C ATOM 4 O MET A 1 -2.498 -0.090 -12.765 1.00 0.00 O ATOM 5 CB MET A 1 -1.201 -2.892 -14.170 1.00 0.00 C ATOM 6 CG MET A 1 -2.096 -4.135 -14.068 1.00 0.00 C ATOM 7 SD MET A 1 -1.492 -5.430 -12.963 1.00 0.00 S ATOM 8 CE MET A 1 -2.997 -6.408 -12.756 1.00 0.00 C ATOM 0 H1 MET A 1 0.420 -3.112 -12.017 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.369 -2.027 -10.976 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.147 -3.456 -11.462 1.00 0.00 H new ATOM 0 HA MET A 1 -0.356 -1.221 -13.218 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.576 -2.276 -14.987 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.201 -3.222 -14.453 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.085 -3.824 -13.731 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.218 -4.558 -15.065 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.795 -7.252 -12.097 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.778 -5.786 -12.319 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.328 -6.777 -13.727 1.00 0.00 H new ATOM 20 N GLU A 2 -3.334 -2.009 -11.947 1.00 0.00 N ATOM 21 CA GLU A 2 -4.529 -1.380 -11.394 1.00 0.00 C ATOM 22 C GLU A 2 -4.052 -0.561 -10.196 1.00 0.00 C ATOM 23 O GLU A 2 -4.371 0.616 -10.047 1.00 0.00 O ATOM 24 CB GLU A 2 -5.553 -2.438 -10.971 1.00 0.00 C ATOM 25 CG GLU A 2 -6.050 -3.286 -12.145 1.00 0.00 C ATOM 26 CD GLU A 2 -6.989 -4.382 -11.653 1.00 0.00 C ATOM 27 OE1 GLU A 2 -8.165 -4.049 -11.392 1.00 0.00 O ATOM 28 OE2 GLU A 2 -6.504 -5.526 -11.519 1.00 0.00 O ATOM 0 H GLU A 2 -3.302 -3.023 -11.837 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.028 -0.748 -12.129 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.106 -3.091 -10.221 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.403 -1.946 -10.499 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.567 -2.652 -12.866 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.202 -3.732 -12.664 1.00 0.00 H new ATOM 35 N ALA A 3 -3.251 -1.218 -9.357 1.00 0.00 N ATOM 36 CA ALA A 3 -2.519 -0.576 -8.286 1.00 0.00 C ATOM 37 C ALA A 3 -1.212 -0.090 -8.912 1.00 0.00 C ATOM 38 O ALA A 3 -0.644 -0.792 -9.758 1.00 0.00 O ATOM 39 CB ALA A 3 -2.254 -1.574 -7.161 1.00 0.00 C ATOM 0 H ALA A 3 -3.096 -2.225 -9.410 1.00 0.00 H new ATOM 0 HA ALA A 3 -3.075 0.252 -7.847 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.703 -1.081 -6.360 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.203 -1.946 -6.773 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.667 -2.408 -7.545 1.00 0.00 H new ATOM 45 N GLY A 4 -0.746 1.103 -8.542 1.00 0.00 N ATOM 46 CA GLY A 4 0.481 1.641 -9.109 1.00 0.00 C ATOM 47 C GLY A 4 1.718 0.987 -8.490 1.00 0.00 C ATOM 48 O GLY A 4 1.621 0.215 -7.537 1.00 0.00 O ATOM 0 H GLY A 4 -1.199 1.708 -7.857 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.485 1.482 -10.187 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.517 2.718 -8.945 1.00 0.00 H new ATOM 52 N ALA A 5 2.893 1.317 -9.023 1.00 0.00 N ATOM 53 CA ALA A 5 4.183 0.888 -8.506 1.00 0.00 C ATOM 54 C ALA A 5 4.914 2.169 -8.120 1.00 0.00 C ATOM 55 O ALA A 5 4.885 3.120 -8.899 1.00 0.00 O ATOM 56 CB ALA A 5 4.948 0.107 -9.577 1.00 0.00 C ATOM 0 H ALA A 5 2.972 1.908 -9.851 1.00 0.00 H new ATOM 0 HA ALA A 5 4.084 0.221 -7.650 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.912 -0.209 -9.178 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.371 -0.770 -9.869 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.106 0.743 -10.448 1.00 0.00 H new ATOM 62 N VAL A 6 5.514 2.224 -6.928 1.00 0.00 N ATOM 63 CA VAL A 6 6.206 3.413 -6.454 1.00 0.00 C ATOM 64 C VAL A 6 7.581 3.064 -5.891 1.00 0.00 C ATOM 65 O VAL A 6 7.911 1.909 -5.618 1.00 0.00 O ATOM 66 CB VAL A 6 5.356 4.184 -5.417 1.00 0.00 C ATOM 67 CG1 VAL A 6 4.354 5.110 -6.107 1.00 0.00 C ATOM 68 CG2 VAL A 6 4.609 3.280 -4.434 1.00 0.00 C ATOM 0 H VAL A 6 5.531 1.445 -6.270 1.00 0.00 H new ATOM 0 HA VAL A 6 6.355 4.070 -7.311 1.00 0.00 H new ATOM 0 HB VAL A 6 6.073 4.767 -4.839 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.770 5.639 -5.354 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.890 5.831 -6.724 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.687 4.520 -6.736 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.036 3.894 -3.739 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.932 2.626 -4.984 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.326 2.676 -3.878 1.00 0.00 H new ATOM 78 N ASN A 7 8.379 4.119 -5.749 1.00 0.00 N ATOM 79 CA ASN A 7 9.718 4.157 -5.195 1.00 0.00 C ATOM 80 C ASN A 7 9.817 5.485 -4.464 1.00 0.00 C ATOM 81 O ASN A 7 8.949 6.326 -4.649 1.00 0.00 O ATOM 82 CB ASN A 7 10.758 4.115 -6.320 1.00 0.00 C ATOM 83 CG ASN A 7 12.175 4.388 -5.835 1.00 0.00 C ATOM 84 OD1 ASN A 7 12.681 5.497 -5.963 1.00 0.00 O ATOM 85 ND2 ASN A 7 12.771 3.390 -5.193 1.00 0.00 N ATOM 0 H ASN A 7 8.073 5.046 -6.046 1.00 0.00 H new ATOM 0 HA ASN A 7 9.904 3.308 -4.538 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.727 3.136 -6.799 1.00 0.00 H new ATOM 0 HB3 ASN A 7 10.493 4.850 -7.080 1.00 0.00 H new ATOM 0 HD21 ASN A 7 13.693 3.528 -4.779 1.00 0.00 H new ATOM 0 HD22 ASN A 7 12.307 2.485 -5.114 1.00 0.00 H new ATOM 92 N ASP A 8 10.869 5.685 -3.680 1.00 0.00 N ATOM 93 CA ASP A 8 11.141 6.914 -2.936 1.00 0.00 C ATOM 94 C ASP A 8 10.809 8.156 -3.771 1.00 0.00 C ATOM 95 O ASP A 8 10.042 9.027 -3.363 1.00 0.00 O ATOM 96 CB ASP A 8 12.624 6.925 -2.539 1.00 0.00 C ATOM 97 CG ASP A 8 12.988 8.046 -1.569 1.00 0.00 C ATOM 98 OD1 ASP A 8 12.076 8.791 -1.153 1.00 0.00 O ATOM 99 OD2 ASP A 8 14.193 8.126 -1.242 1.00 0.00 O ATOM 0 H ASP A 8 11.584 4.971 -3.538 1.00 0.00 H new ATOM 0 HA ASP A 8 10.511 6.940 -2.047 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.877 5.967 -2.085 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.232 7.022 -3.439 1.00 0.00 H new ATOM 104 N ASP A 9 11.378 8.199 -4.972 1.00 0.00 N ATOM 105 CA ASP A 9 11.208 9.287 -5.921 1.00 0.00 C ATOM 106 C ASP A 9 9.732 9.579 -6.213 1.00 0.00 C ATOM 107 O ASP A 9 9.295 10.723 -6.107 1.00 0.00 O ATOM 108 CB ASP A 9 11.946 8.927 -7.217 1.00 0.00 C ATOM 109 CG ASP A 9 13.460 9.035 -7.067 1.00 0.00 C ATOM 110 OD1 ASP A 9 14.001 8.330 -6.188 1.00 0.00 O ATOM 111 OD2 ASP A 9 14.051 9.827 -7.833 1.00 0.00 O ATOM 0 H ASP A 9 11.986 7.457 -5.318 1.00 0.00 H new ATOM 0 HA ASP A 9 11.626 10.194 -5.483 1.00 0.00 H new ATOM 0 HB2 ASP A 9 11.683 7.911 -7.512 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.614 9.588 -8.018 1.00 0.00 H new ATOM 116 N THR A 10 8.960 8.563 -6.602 1.00 0.00 N ATOM 117 CA THR A 10 7.567 8.722 -7.000 1.00 0.00 C ATOM 118 C THR A 10 6.636 8.858 -5.790 1.00 0.00 C ATOM 119 O THR A 10 5.628 9.557 -5.870 1.00 0.00 O ATOM 120 CB THR A 10 7.194 7.532 -7.893 1.00 0.00 C ATOM 121 OG1 THR A 10 7.655 6.325 -7.321 1.00 0.00 O ATOM 122 CG2 THR A 10 7.859 7.667 -9.267 1.00 0.00 C ATOM 0 H THR A 10 9.290 7.599 -6.649 1.00 0.00 H new ATOM 0 HA THR A 10 7.444 9.649 -7.559 1.00 0.00 H new ATOM 0 HB THR A 10 6.108 7.521 -7.991 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.703 5.633 -8.013 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.585 6.815 -9.889 1.00 0.00 H new ATOM 0 HG22 THR A 10 7.524 8.588 -9.744 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.942 7.694 -9.146 1.00 0.00 H new ATOM 130 N PHE A 11 6.984 8.216 -4.670 1.00 0.00 N ATOM 131 CA PHE A 11 6.278 8.211 -3.390 1.00 0.00 C ATOM 132 C PHE A 11 5.796 9.614 -3.046 1.00 0.00 C ATOM 133 O PHE A 11 4.677 9.845 -2.604 1.00 0.00 O ATOM 134 CB PHE A 11 7.241 7.724 -2.301 1.00 0.00 C ATOM 135 CG PHE A 11 6.608 7.435 -0.961 1.00 0.00 C ATOM 136 CD1 PHE A 11 6.036 6.174 -0.718 1.00 0.00 C ATOM 137 CD2 PHE A 11 6.687 8.383 0.074 1.00 0.00 C ATOM 138 CE1 PHE A 11 5.536 5.863 0.558 1.00 0.00 C ATOM 139 CE2 PHE A 11 6.218 8.057 1.358 1.00 0.00 C ATOM 140 CZ PHE A 11 5.637 6.802 1.598 1.00 0.00 C ATOM 0 H PHE A 11 7.829 7.645 -4.635 1.00 0.00 H new ATOM 0 HA PHE A 11 5.413 7.550 -3.456 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.734 6.818 -2.654 1.00 0.00 H new ATOM 0 HB3 PHE A 11 8.017 8.477 -2.163 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.981 5.444 -1.512 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.107 9.359 -0.117 1.00 0.00 H new ATOM 0 HE1 PHE A 11 5.075 4.903 0.739 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.305 8.773 2.162 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.267 6.558 2.583 1.00 0.00 H new ATOM 150 N LYS A 12 6.682 10.568 -3.269 1.00 0.00 N ATOM 151 CA LYS A 12 6.419 11.978 -3.083 1.00 0.00 C ATOM 152 C LYS A 12 5.129 12.405 -3.797 1.00 0.00 C ATOM 153 O LYS A 12 4.135 12.751 -3.166 1.00 0.00 O ATOM 154 CB LYS A 12 7.620 12.741 -3.633 1.00 0.00 C ATOM 155 CG LYS A 12 8.850 12.517 -2.743 1.00 0.00 C ATOM 156 CD LYS A 12 10.101 13.156 -3.355 1.00 0.00 C ATOM 157 CE LYS A 12 11.348 12.777 -2.546 1.00 0.00 C ATOM 158 NZ LYS A 12 11.727 11.364 -2.745 1.00 0.00 N ATOM 0 H LYS A 12 7.630 10.375 -3.593 1.00 0.00 H new ATOM 0 HA LYS A 12 6.276 12.196 -2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.834 12.411 -4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.390 13.805 -3.685 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.669 12.940 -1.755 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.014 11.448 -2.607 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.216 12.827 -4.388 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.990 14.240 -3.376 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.179 13.420 -2.837 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.162 12.957 -1.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.933 10.927 -1.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.943 10.855 -3.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.572 11.313 -3.349 1.00 0.00 H new ATOM 172 N ASN A 13 5.151 12.373 -5.127 1.00 0.00 N ATOM 173 CA ASN A 13 4.034 12.769 -5.975 1.00 0.00 C ATOM 174 C ASN A 13 2.799 11.914 -5.741 1.00 0.00 C ATOM 175 O ASN A 13 1.678 12.411 -5.726 1.00 0.00 O ATOM 176 CB ASN A 13 4.447 12.605 -7.446 1.00 0.00 C ATOM 177 CG ASN A 13 5.107 13.840 -8.062 1.00 0.00 C ATOM 178 OD1 ASN A 13 5.190 13.944 -9.280 1.00 0.00 O ATOM 179 ND2 ASN A 13 5.598 14.787 -7.264 1.00 0.00 N ATOM 0 H ASN A 13 5.966 12.063 -5.656 1.00 0.00 H new ATOM 0 HA ASN A 13 3.789 13.803 -5.732 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.135 11.763 -7.525 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.564 12.351 -8.032 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.049 15.609 -7.666 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.523 14.690 -6.251 1.00 0.00 H new ATOM 186 N VAL A 14 3.021 10.613 -5.614 1.00 0.00 N ATOM 187 CA VAL A 14 1.945 9.633 -5.640 1.00 0.00 C ATOM 188 C VAL A 14 1.296 9.422 -4.270 1.00 0.00 C ATOM 189 O VAL A 14 0.073 9.337 -4.170 1.00 0.00 O ATOM 190 CB VAL A 14 2.518 8.337 -6.242 1.00 0.00 C ATOM 191 CG1 VAL A 14 1.465 7.231 -6.318 1.00 0.00 C ATOM 192 CG2 VAL A 14 3.027 8.579 -7.673 1.00 0.00 C ATOM 0 H VAL A 14 3.949 10.209 -5.490 1.00 0.00 H new ATOM 0 HA VAL A 14 1.127 9.998 -6.261 1.00 0.00 H new ATOM 0 HB VAL A 14 3.332 8.030 -5.585 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.910 6.334 -6.748 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.098 7.009 -5.316 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.636 7.561 -6.944 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.427 7.650 -8.079 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.204 8.923 -8.299 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.811 9.336 -7.657 1.00 0.00 H new ATOM 202 N VAL A 15 2.106 9.315 -3.220 1.00 0.00 N ATOM 203 CA VAL A 15 1.664 9.002 -1.869 1.00 0.00 C ATOM 204 C VAL A 15 1.549 10.263 -1.017 1.00 0.00 C ATOM 205 O VAL A 15 0.498 10.495 -0.424 1.00 0.00 O ATOM 206 CB VAL A 15 2.631 7.988 -1.232 1.00 0.00 C ATOM 207 CG1 VAL A 15 2.084 7.514 0.116 1.00 0.00 C ATOM 208 CG2 VAL A 15 2.859 6.794 -2.169 1.00 0.00 C ATOM 0 H VAL A 15 3.115 9.448 -3.290 1.00 0.00 H new ATOM 0 HA VAL A 15 0.670 8.558 -1.920 1.00 0.00 H new ATOM 0 HB VAL A 15 3.590 8.479 -1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.776 6.797 0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.971 8.368 0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.114 7.039 -0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.545 6.089 -1.700 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.908 6.299 -2.365 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.286 7.145 -3.109 1.00 0.00 H new ATOM 218 N LEU A 16 2.608 11.074 -0.922 1.00 0.00 N ATOM 219 CA LEU A 16 2.553 12.253 -0.060 1.00 0.00 C ATOM 220 C LEU A 16 1.588 13.291 -0.641 1.00 0.00 C ATOM 221 O LEU A 16 0.610 13.662 0.005 1.00 0.00 O ATOM 222 CB LEU A 16 3.948 12.859 0.160 1.00 0.00 C ATOM 223 CG LEU A 16 4.977 11.884 0.756 1.00 0.00 C ATOM 224 CD1 LEU A 16 6.295 12.632 0.982 1.00 0.00 C ATOM 225 CD2 LEU A 16 4.515 11.307 2.098 1.00 0.00 C ATOM 0 H LEU A 16 3.489 10.940 -1.417 1.00 0.00 H new ATOM 0 HA LEU A 16 2.181 11.940 0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.325 13.228 -0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.856 13.721 0.821 1.00 0.00 H new ATOM 0 HG LEU A 16 5.099 11.060 0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.033 11.950 1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.661 13.019 0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.130 13.460 1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.273 10.624 2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.364 12.118 2.810 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.578 10.768 1.959 1.00 0.00 H new ATOM 237 N GLU A 17 1.828 13.738 -1.875 1.00 0.00 N ATOM 238 CA GLU A 17 1.030 14.761 -2.547 1.00 0.00 C ATOM 239 C GLU A 17 -0.258 14.141 -3.110 1.00 0.00 C ATOM 240 O GLU A 17 -0.581 14.312 -4.284 1.00 0.00 O ATOM 241 CB GLU A 17 1.883 15.387 -3.663 1.00 0.00 C ATOM 242 CG GLU A 17 3.205 15.989 -3.155 1.00 0.00 C ATOM 243 CD GLU A 17 4.120 16.375 -4.314 1.00 0.00 C ATOM 244 OE1 GLU A 17 3.862 17.443 -4.908 1.00 0.00 O ATOM 245 OE2 GLU A 17 5.055 15.591 -4.596 1.00 0.00 O ATOM 0 H GLU A 17 2.599 13.391 -2.446 1.00 0.00 H new ATOM 0 HA GLU A 17 0.737 15.538 -1.841 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.103 14.627 -4.413 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.304 16.166 -4.159 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.996 16.868 -2.545 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.712 15.269 -2.513 1.00 0.00 H new ATOM 252 N SER A 18 -0.997 13.422 -2.267 1.00 0.00 N ATOM 253 CA SER A 18 -2.196 12.691 -2.634 1.00 0.00 C ATOM 254 C SER A 18 -3.467 13.535 -2.495 1.00 0.00 C ATOM 255 O SER A 18 -3.520 14.485 -1.716 1.00 0.00 O ATOM 256 CB SER A 18 -2.263 11.456 -1.733 1.00 0.00 C ATOM 257 OG SER A 18 -1.905 11.783 -0.398 1.00 0.00 O ATOM 0 H SER A 18 -0.765 13.333 -1.278 1.00 0.00 H new ATOM 0 HA SER A 18 -2.143 12.412 -3.686 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.271 11.041 -1.752 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.593 10.685 -2.115 1.00 0.00 H new ATOM 0 HG SER A 18 -1.029 11.396 -0.190 1.00 0.00 H new ATOM 263 N SER A 19 -4.494 13.169 -3.269 1.00 0.00 N ATOM 264 CA SER A 19 -5.823 13.758 -3.261 1.00 0.00 C ATOM 265 C SER A 19 -6.733 12.823 -2.463 1.00 0.00 C ATOM 266 O SER A 19 -7.135 13.124 -1.342 1.00 0.00 O ATOM 267 CB SER A 19 -6.278 13.893 -4.718 1.00 0.00 C ATOM 268 OG SER A 19 -5.983 12.688 -5.413 1.00 0.00 O ATOM 0 H SER A 19 -4.409 12.415 -3.950 1.00 0.00 H new ATOM 0 HA SER A 19 -5.847 14.745 -2.799 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.348 14.099 -4.760 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.773 14.734 -5.193 1.00 0.00 H new ATOM 0 HG SER A 19 -6.274 12.769 -6.345 1.00 0.00 H new ATOM 274 N VAL A 20 -7.036 11.668 -3.057 1.00 0.00 N ATOM 275 CA VAL A 20 -7.763 10.587 -2.402 1.00 0.00 C ATOM 276 C VAL A 20 -6.762 9.841 -1.514 1.00 0.00 C ATOM 277 O VAL A 20 -5.556 9.949 -1.751 1.00 0.00 O ATOM 278 CB VAL A 20 -8.358 9.606 -3.436 1.00 0.00 C ATOM 279 CG1 VAL A 20 -9.642 10.149 -4.066 1.00 0.00 C ATOM 280 CG2 VAL A 20 -7.372 9.207 -4.542 1.00 0.00 C ATOM 0 H VAL A 20 -6.778 11.457 -4.021 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.589 10.997 -1.821 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.590 8.707 -2.866 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.027 9.428 -4.787 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.387 10.317 -3.288 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.429 11.090 -4.573 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.858 8.517 -5.231 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.054 10.097 -5.084 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.503 8.723 -4.097 1.00 0.00 H new ATOM 290 N PRO A 21 -7.217 9.094 -0.495 1.00 0.00 N ATOM 291 CA PRO A 21 -6.326 8.271 0.300 1.00 0.00 C ATOM 292 C PRO A 21 -5.569 7.299 -0.603 1.00 0.00 C ATOM 293 O PRO A 21 -6.008 6.997 -1.714 1.00 0.00 O ATOM 294 CB PRO A 21 -7.198 7.517 1.298 1.00 0.00 C ATOM 295 CG PRO A 21 -8.424 8.410 1.415 1.00 0.00 C ATOM 296 CD PRO A 21 -8.573 9.022 0.018 1.00 0.00 C ATOM 0 HA PRO A 21 -5.584 8.876 0.821 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.456 6.521 0.938 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.697 7.390 2.258 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.308 7.838 1.697 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.286 9.179 2.175 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.206 8.405 -0.620 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.033 10.009 0.064 1.00 0.00 H new ATOM 304 N VAL A 22 -4.450 6.788 -0.104 1.00 0.00 N ATOM 305 CA VAL A 22 -3.534 5.945 -0.855 1.00 0.00 C ATOM 306 C VAL A 22 -3.037 4.790 0.015 1.00 0.00 C ATOM 307 O VAL A 22 -2.401 5.009 1.045 1.00 0.00 O ATOM 308 CB VAL A 22 -2.360 6.803 -1.368 1.00 0.00 C ATOM 309 CG1 VAL A 22 -1.452 5.983 -2.283 1.00 0.00 C ATOM 310 CG2 VAL A 22 -2.841 8.049 -2.118 1.00 0.00 C ATOM 0 H VAL A 22 -4.149 6.953 0.857 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.053 5.512 -1.710 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.801 7.128 -0.490 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.630 6.607 -2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.052 5.132 -1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.025 5.624 -3.138 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.980 8.622 -2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.441 7.748 -2.977 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.445 8.665 -1.451 1.00 0.00 H new ATOM 320 N LEU A 23 -3.323 3.556 -0.403 1.00 0.00 N ATOM 321 CA LEU A 23 -2.874 2.340 0.258 1.00 0.00 C ATOM 322 C LEU A 23 -1.586 1.880 -0.416 1.00 0.00 C ATOM 323 O LEU A 23 -1.616 1.443 -1.565 1.00 0.00 O ATOM 324 CB LEU A 23 -3.951 1.252 0.177 1.00 0.00 C ATOM 325 CG LEU A 23 -4.839 1.270 1.425 1.00 0.00 C ATOM 326 CD1 LEU A 23 -5.577 2.605 1.578 1.00 0.00 C ATOM 327 CD2 LEU A 23 -5.840 0.121 1.328 1.00 0.00 C ATOM 0 H LEU A 23 -3.888 3.375 -1.233 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.689 2.535 1.314 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.563 1.405 -0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.480 0.275 0.075 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.208 1.149 2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.196 2.578 2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.852 3.414 1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.209 2.774 0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.480 0.121 2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.453 0.247 0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.303 -0.826 1.269 1.00 0.00 H new ATOM 339 N VAL A 24 -0.462 1.985 0.293 1.00 0.00 N ATOM 340 CA VAL A 24 0.847 1.619 -0.234 1.00 0.00 C ATOM 341 C VAL A 24 1.267 0.278 0.352 1.00 0.00 C ATOM 342 O VAL A 24 1.516 0.203 1.557 1.00 0.00 O ATOM 343 CB VAL A 24 1.882 2.695 0.121 1.00 0.00 C ATOM 344 CG1 VAL A 24 3.257 2.323 -0.452 1.00 0.00 C ATOM 345 CG2 VAL A 24 1.469 4.053 -0.446 1.00 0.00 C ATOM 0 H VAL A 24 -0.437 2.328 1.253 1.00 0.00 H new ATOM 0 HA VAL A 24 0.789 1.540 -1.320 1.00 0.00 H new ATOM 0 HB VAL A 24 1.937 2.756 1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.981 3.096 -0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.579 1.369 -0.035 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.189 2.240 -1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.217 4.800 -0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.391 3.986 -1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.504 4.343 -0.030 1.00 0.00 H new ATOM 355 N ASP A 25 1.363 -0.761 -0.486 1.00 0.00 N ATOM 356 CA ASP A 25 1.832 -2.069 -0.070 1.00 0.00 C ATOM 357 C ASP A 25 3.350 -2.075 -0.168 1.00 0.00 C ATOM 358 O ASP A 25 3.896 -1.955 -1.263 1.00 0.00 O ATOM 359 CB ASP A 25 1.223 -3.176 -0.934 1.00 0.00 C ATOM 360 CG ASP A 25 1.828 -4.539 -0.589 1.00 0.00 C ATOM 361 OD1 ASP A 25 2.027 -4.794 0.620 1.00 0.00 O ATOM 362 OD2 ASP A 25 2.086 -5.301 -1.546 1.00 0.00 O ATOM 0 H ASP A 25 1.114 -0.708 -1.474 1.00 0.00 H new ATOM 0 HA ASP A 25 1.522 -2.265 0.956 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.144 -3.205 -0.785 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.394 -2.955 -1.988 1.00 0.00 H new ATOM 367 N PHE A 26 4.048 -2.181 0.959 1.00 0.00 N ATOM 368 CA PHE A 26 5.498 -2.271 0.946 1.00 0.00 C ATOM 369 C PHE A 26 5.807 -3.721 0.590 1.00 0.00 C ATOM 370 O PHE A 26 5.455 -4.615 1.358 1.00 0.00 O ATOM 371 CB PHE A 26 6.061 -1.847 2.306 1.00 0.00 C ATOM 372 CG PHE A 26 6.005 -0.344 2.521 1.00 0.00 C ATOM 373 CD1 PHE A 26 4.782 0.297 2.802 1.00 0.00 C ATOM 374 CD2 PHE A 26 7.168 0.429 2.353 1.00 0.00 C ATOM 375 CE1 PHE A 26 4.731 1.697 2.931 1.00 0.00 C ATOM 376 CE2 PHE A 26 7.110 1.831 2.446 1.00 0.00 C ATOM 377 CZ PHE A 26 5.897 2.464 2.765 1.00 0.00 C ATOM 0 H PHE A 26 3.631 -2.206 1.889 1.00 0.00 H new ATOM 0 HA PHE A 26 5.965 -1.603 0.222 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.501 -2.344 3.098 1.00 0.00 H new ATOM 0 HB3 PHE A 26 7.095 -2.183 2.388 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.882 -0.288 2.919 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.111 -0.057 2.151 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.794 2.183 3.158 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.998 2.421 2.272 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.861 3.537 2.882 1.00 0.00 H new ATOM 387 N TRP A 27 6.394 -3.953 -0.588 1.00 0.00 N ATOM 388 CA TRP A 27 6.643 -5.290 -1.114 1.00 0.00 C ATOM 389 C TRP A 27 8.094 -5.443 -1.553 1.00 0.00 C ATOM 390 O TRP A 27 8.918 -4.541 -1.396 1.00 0.00 O ATOM 391 CB TRP A 27 5.726 -5.538 -2.320 1.00 0.00 C ATOM 392 CG TRP A 27 6.108 -4.808 -3.567 1.00 0.00 C ATOM 393 CD1 TRP A 27 5.937 -3.490 -3.776 1.00 0.00 C ATOM 394 CD2 TRP A 27 6.818 -5.307 -4.738 1.00 0.00 C ATOM 395 NE1 TRP A 27 6.537 -3.114 -4.961 1.00 0.00 N ATOM 396 CE2 TRP A 27 7.111 -4.201 -5.587 1.00 0.00 C ATOM 397 CE3 TRP A 27 7.265 -6.578 -5.164 1.00 0.00 C ATOM 398 CZ2 TRP A 27 7.840 -4.347 -6.775 1.00 0.00 C ATOM 399 CZ3 TRP A 27 7.974 -6.736 -6.368 1.00 0.00 C ATOM 400 CH2 TRP A 27 8.273 -5.622 -7.168 1.00 0.00 C ATOM 0 H TRP A 27 6.711 -3.207 -1.207 1.00 0.00 H new ATOM 0 HA TRP A 27 6.439 -6.014 -0.325 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.712 -6.607 -2.533 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.709 -5.254 -2.048 1.00 0.00 H new ATOM 0 HD1 TRP A 27 5.407 -2.823 -3.113 1.00 0.00 H new ATOM 0 HE1 TRP A 27 6.554 -2.161 -5.325 1.00 0.00 H new ATOM 0 HE3 TRP A 27 7.058 -7.444 -4.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 8.067 -3.484 -7.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 8.290 -7.721 -6.679 1.00 0.00 H new ATOM 0 HH2 TRP A 27 8.834 -5.746 -8.082 1.00 0.00 H new ATOM 411 N ALA A 28 8.404 -6.594 -2.152 1.00 0.00 N ATOM 412 CA ALA A 28 9.698 -6.903 -2.743 1.00 0.00 C ATOM 413 C ALA A 28 9.560 -8.205 -3.543 1.00 0.00 C ATOM 414 O ALA A 28 8.697 -9.016 -3.214 1.00 0.00 O ATOM 415 CB ALA A 28 10.750 -7.067 -1.642 1.00 0.00 C ATOM 0 H ALA A 28 7.736 -7.359 -2.240 1.00 0.00 H new ATOM 0 HA ALA A 28 10.016 -6.094 -3.400 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.715 -7.298 -2.093 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.828 -6.141 -1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.457 -7.879 -0.976 1.00 0.00 H new ATOM 421 N PRO A 29 10.385 -8.447 -4.572 1.00 0.00 N ATOM 422 CA PRO A 29 10.298 -9.650 -5.387 1.00 0.00 C ATOM 423 C PRO A 29 10.622 -10.885 -4.551 1.00 0.00 C ATOM 424 O PRO A 29 9.951 -11.908 -4.649 1.00 0.00 O ATOM 425 CB PRO A 29 11.292 -9.450 -6.533 1.00 0.00 C ATOM 426 CG PRO A 29 12.302 -8.446 -5.977 1.00 0.00 C ATOM 427 CD PRO A 29 11.459 -7.591 -5.030 1.00 0.00 C ATOM 0 HA PRO A 29 9.293 -9.811 -5.778 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.773 -10.387 -6.812 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.799 -9.067 -7.426 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.117 -8.944 -5.452 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.751 -7.846 -6.769 1.00 0.00 H new ATOM 0 HD2 PRO A 29 12.056 -7.232 -4.192 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.067 -6.712 -5.542 1.00 0.00 H new ATOM 435 N TRP A 30 11.649 -10.783 -3.704 1.00 0.00 N ATOM 436 CA TRP A 30 12.046 -11.859 -2.812 1.00 0.00 C ATOM 437 C TRP A 30 10.968 -12.130 -1.755 1.00 0.00 C ATOM 438 O TRP A 30 10.964 -13.201 -1.150 1.00 0.00 O ATOM 439 CB TRP A 30 13.394 -11.513 -2.166 1.00 0.00 C ATOM 440 CG TRP A 30 13.546 -10.139 -1.577 1.00 0.00 C ATOM 441 CD1 TRP A 30 14.225 -9.120 -2.150 1.00 0.00 C ATOM 442 CD2 TRP A 30 13.040 -9.611 -0.311 1.00 0.00 C ATOM 443 NE1 TRP A 30 14.221 -8.021 -1.318 1.00 0.00 N ATOM 444 CE2 TRP A 30 13.466 -8.254 -0.185 1.00 0.00 C ATOM 445 CE3 TRP A 30 12.262 -10.137 0.744 1.00 0.00 C ATOM 446 CZ2 TRP A 30 13.105 -7.452 0.910 1.00 0.00 C ATOM 447 CZ3 TRP A 30 11.874 -9.335 1.833 1.00 0.00 C ATOM 448 CH2 TRP A 30 12.264 -7.986 1.902 1.00 0.00 C ATOM 0 H TRP A 30 12.226 -9.946 -3.622 1.00 0.00 H new ATOM 0 HA TRP A 30 12.159 -12.777 -3.389 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.586 -12.241 -1.378 1.00 0.00 H new ATOM 0 HB3 TRP A 30 14.172 -11.645 -2.918 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.701 -9.161 -3.118 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.712 -7.149 -1.514 1.00 0.00 H new ATOM 0 HE3 TRP A 30 11.960 -11.173 0.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 13.469 -6.438 0.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 11.272 -9.759 2.623 1.00 0.00 H new ATOM 0 HH2 TRP A 30 11.919 -7.363 2.714 1.00 0.00 H new ATOM 459 N CYS A 31 10.040 -11.194 -1.527 1.00 0.00 N ATOM 460 CA CYS A 31 9.011 -11.401 -0.517 1.00 0.00 C ATOM 461 C CYS A 31 7.953 -12.386 -1.031 1.00 0.00 C ATOM 462 O CYS A 31 7.028 -12.019 -1.756 1.00 0.00 O ATOM 463 CB CYS A 31 8.407 -10.068 -0.088 1.00 0.00 C ATOM 464 SG CYS A 31 6.912 -10.250 0.896 1.00 0.00 S ATOM 0 H CYS A 31 9.984 -10.303 -2.021 1.00 0.00 H new ATOM 0 HA CYS A 31 9.461 -11.845 0.370 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.146 -9.510 0.486 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.180 -9.477 -0.975 1.00 0.00 H new ATOM 469 N GLY A 32 8.116 -13.650 -0.626 1.00 0.00 N ATOM 470 CA GLY A 32 7.259 -14.787 -0.939 1.00 0.00 C ATOM 471 C GLY A 32 5.776 -14.452 -1.115 1.00 0.00 C ATOM 472 O GLY A 32 5.269 -14.566 -2.230 1.00 0.00 O ATOM 0 H GLY A 32 8.902 -13.918 -0.033 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.621 -15.254 -1.855 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.357 -15.526 -0.144 1.00 0.00 H new ATOM 476 N PRO A 33 5.045 -14.069 -0.053 1.00 0.00 N ATOM 477 CA PRO A 33 3.631 -13.777 -0.187 1.00 0.00 C ATOM 478 C PRO A 33 3.411 -12.575 -1.094 1.00 0.00 C ATOM 479 O PRO A 33 2.551 -12.628 -1.964 1.00 0.00 O ATOM 480 CB PRO A 33 3.102 -13.539 1.227 1.00 0.00 C ATOM 481 CG PRO A 33 4.341 -13.057 1.972 1.00 0.00 C ATOM 482 CD PRO A 33 5.471 -13.872 1.326 1.00 0.00 C ATOM 0 HA PRO A 33 3.094 -14.602 -0.654 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.306 -12.795 1.241 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.695 -14.450 1.666 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.495 -11.985 1.848 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.268 -13.247 3.043 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.421 -13.339 1.375 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.613 -14.825 1.836 1.00 0.00 H new ATOM 490 N CYS A 34 4.197 -11.508 -0.919 1.00 0.00 N ATOM 491 CA CYS A 34 4.061 -10.276 -1.693 1.00 0.00 C ATOM 492 C CYS A 34 3.939 -10.604 -3.180 1.00 0.00 C ATOM 493 O CYS A 34 3.023 -10.143 -3.861 1.00 0.00 O ATOM 494 CB CYS A 34 5.251 -9.331 -1.519 1.00 0.00 C ATOM 495 SG CYS A 34 5.705 -8.746 0.129 1.00 0.00 S ATOM 0 H CYS A 34 4.950 -11.477 -0.231 1.00 0.00 H new ATOM 0 HA CYS A 34 3.166 -9.778 -1.320 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.125 -9.829 -1.938 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.060 -8.452 -2.134 1.00 0.00 H new ATOM 500 N ARG A 35 4.874 -11.430 -3.656 1.00 0.00 N ATOM 501 CA ARG A 35 4.957 -11.893 -5.032 1.00 0.00 C ATOM 502 C ARG A 35 3.596 -12.355 -5.554 1.00 0.00 C ATOM 503 O ARG A 35 3.177 -11.955 -6.637 1.00 0.00 O ATOM 504 CB ARG A 35 5.958 -13.052 -5.080 1.00 0.00 C ATOM 505 CG ARG A 35 6.465 -13.345 -6.498 1.00 0.00 C ATOM 506 CD ARG A 35 7.420 -14.544 -6.466 1.00 0.00 C ATOM 507 NE ARG A 35 8.545 -14.274 -5.560 1.00 0.00 N ATOM 508 CZ ARG A 35 9.020 -15.077 -4.598 1.00 0.00 C ATOM 509 NH1 ARG A 35 8.662 -16.363 -4.514 1.00 0.00 N ATOM 510 NH2 ARG A 35 9.863 -14.546 -3.712 1.00 0.00 N ATOM 0 H ARG A 35 5.618 -11.805 -3.068 1.00 0.00 H new ATOM 0 HA ARG A 35 5.283 -11.071 -5.669 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.807 -12.819 -4.437 1.00 0.00 H new ATOM 0 HB3 ARG A 35 5.488 -13.948 -4.675 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.624 -13.555 -7.159 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.977 -12.470 -6.900 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.885 -15.435 -6.138 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.793 -14.748 -7.470 1.00 0.00 H new ATOM 0 HE ARG A 35 9.016 -13.377 -5.676 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.011 -16.757 -5.193 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.040 -16.950 -3.771 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.124 -13.562 -3.782 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.247 -15.123 -2.964 1.00 0.00 H new ATOM 524 N ILE A 36 2.927 -13.219 -4.786 1.00 0.00 N ATOM 525 CA ILE A 36 1.643 -13.798 -5.171 1.00 0.00 C ATOM 526 C ILE A 36 0.448 -12.960 -4.700 1.00 0.00 C ATOM 527 O ILE A 36 -0.660 -13.190 -5.178 1.00 0.00 O ATOM 528 CB ILE A 36 1.565 -15.276 -4.728 1.00 0.00 C ATOM 529 CG1 ILE A 36 1.794 -15.546 -3.228 1.00 0.00 C ATOM 530 CG2 ILE A 36 2.626 -16.068 -5.509 1.00 0.00 C ATOM 531 CD1 ILE A 36 0.593 -15.199 -2.342 1.00 0.00 C ATOM 0 H ILE A 36 3.264 -13.536 -3.877 1.00 0.00 H new ATOM 0 HA ILE A 36 1.580 -13.781 -6.259 1.00 0.00 H new ATOM 0 HB ILE A 36 0.540 -15.583 -4.934 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.040 -16.599 -3.092 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.657 -14.971 -2.893 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.589 -17.116 -5.212 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.427 -15.986 -6.578 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.615 -15.664 -5.292 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.833 -15.417 -1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.358 -14.140 -2.446 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.268 -15.793 -2.648 1.00 0.00 H new ATOM 543 N ILE A 37 0.638 -11.993 -3.793 1.00 0.00 N ATOM 544 CA ILE A 37 -0.435 -11.130 -3.307 1.00 0.00 C ATOM 545 C ILE A 37 -0.609 -9.939 -4.261 1.00 0.00 C ATOM 546 O ILE A 37 -1.713 -9.434 -4.413 1.00 0.00 O ATOM 547 CB ILE A 37 -0.180 -10.747 -1.826 1.00 0.00 C ATOM 548 CG1 ILE A 37 -1.476 -10.820 -1.001 1.00 0.00 C ATOM 549 CG2 ILE A 37 0.413 -9.346 -1.638 1.00 0.00 C ATOM 550 CD1 ILE A 37 -1.884 -12.268 -0.703 1.00 0.00 C ATOM 0 H ILE A 37 1.547 -11.790 -3.377 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.391 -11.655 -3.308 1.00 0.00 H new ATOM 0 HB ILE A 37 0.551 -11.477 -1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.340 -10.281 -0.063 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.279 -10.321 -1.542 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.562 -9.153 -0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.370 -9.284 -2.156 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.271 -8.603 -2.049 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.804 -12.274 -0.119 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.046 -12.801 -1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.092 -12.760 -0.138 1.00 0.00 H new ATOM 562 N ALA A 38 0.447 -9.518 -4.962 1.00 0.00 N ATOM 563 CA ALA A 38 0.429 -8.414 -5.921 1.00 0.00 C ATOM 564 C ALA A 38 -0.842 -8.347 -6.802 1.00 0.00 C ATOM 565 O ALA A 38 -1.425 -7.267 -6.896 1.00 0.00 O ATOM 566 CB ALA A 38 1.702 -8.479 -6.776 1.00 0.00 C ATOM 0 H ALA A 38 1.366 -9.951 -4.874 1.00 0.00 H new ATOM 0 HA ALA A 38 0.404 -7.490 -5.344 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.699 -7.660 -7.495 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.577 -8.394 -6.132 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.734 -9.429 -7.309 1.00 0.00 H new ATOM 572 N PRO A 39 -1.320 -9.437 -7.436 1.00 0.00 N ATOM 573 CA PRO A 39 -2.529 -9.403 -8.255 1.00 0.00 C ATOM 574 C PRO A 39 -3.743 -9.034 -7.397 1.00 0.00 C ATOM 575 O PRO A 39 -4.647 -8.323 -7.833 1.00 0.00 O ATOM 576 CB PRO A 39 -2.691 -10.811 -8.848 1.00 0.00 C ATOM 577 CG PRO A 39 -1.336 -11.478 -8.611 1.00 0.00 C ATOM 578 CD PRO A 39 -0.871 -10.809 -7.323 1.00 0.00 C ATOM 0 HA PRO A 39 -2.454 -8.654 -9.043 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.496 -11.359 -8.358 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -2.934 -10.770 -9.910 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.428 -12.558 -8.499 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.645 -11.301 -9.435 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.301 -11.295 -6.447 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.213 -10.863 -7.218 1.00 0.00 H new ATOM 586 N VAL A 40 -3.749 -9.534 -6.159 1.00 0.00 N ATOM 587 CA VAL A 40 -4.781 -9.256 -5.185 1.00 0.00 C ATOM 588 C VAL A 40 -4.734 -7.750 -4.904 1.00 0.00 C ATOM 589 O VAL A 40 -5.753 -7.076 -5.034 1.00 0.00 O ATOM 590 CB VAL A 40 -4.581 -10.118 -3.923 1.00 0.00 C ATOM 591 CG1 VAL A 40 -5.808 -9.996 -3.031 1.00 0.00 C ATOM 592 CG2 VAL A 40 -4.371 -11.601 -4.265 1.00 0.00 C ATOM 0 H VAL A 40 -3.018 -10.154 -5.809 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.771 -9.518 -5.557 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.688 -9.754 -3.415 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.670 -10.605 -2.137 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.946 -8.954 -2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.688 -10.342 -3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.234 -12.171 -3.346 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.243 -11.978 -4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.486 -11.708 -4.893 1.00 0.00 H new ATOM 602 N VAL A 41 -3.544 -7.221 -4.575 1.00 0.00 N ATOM 603 CA VAL A 41 -3.331 -5.792 -4.322 1.00 0.00 C ATOM 604 C VAL A 41 -3.913 -4.981 -5.484 1.00 0.00 C ATOM 605 O VAL A 41 -4.619 -3.997 -5.262 1.00 0.00 O ATOM 606 CB VAL A 41 -1.836 -5.462 -4.120 1.00 0.00 C ATOM 607 CG1 VAL A 41 -1.654 -3.985 -3.742 1.00 0.00 C ATOM 608 CG2 VAL A 41 -1.194 -6.313 -3.022 1.00 0.00 C ATOM 0 H VAL A 41 -2.697 -7.781 -4.477 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.843 -5.525 -3.397 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.346 -5.681 -5.069 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.594 -3.773 -3.604 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.050 -3.354 -4.538 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.189 -3.778 -2.815 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.143 -6.042 -2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.708 -6.136 -2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.273 -7.368 -3.286 1.00 0.00 H new ATOM 618 N ASP A 42 -3.625 -5.402 -6.719 1.00 0.00 N ATOM 619 CA ASP A 42 -4.156 -4.758 -7.911 1.00 0.00 C ATOM 620 C ASP A 42 -5.684 -4.708 -7.878 1.00 0.00 C ATOM 621 O ASP A 42 -6.251 -3.618 -7.878 1.00 0.00 O ATOM 622 CB ASP A 42 -3.671 -5.478 -9.175 1.00 0.00 C ATOM 623 CG ASP A 42 -2.343 -4.934 -9.675 1.00 0.00 C ATOM 624 OD1 ASP A 42 -2.353 -3.779 -10.158 1.00 0.00 O ATOM 625 OD2 ASP A 42 -1.339 -5.672 -9.611 1.00 0.00 O ATOM 0 H ASP A 42 -3.018 -6.198 -6.914 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.785 -3.733 -7.930 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.570 -6.543 -8.967 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.421 -5.376 -9.959 1.00 0.00 H new ATOM 630 N GLU A 43 -6.370 -5.855 -7.857 1.00 0.00 N ATOM 631 CA GLU A 43 -7.826 -5.856 -7.933 1.00 0.00 C ATOM 632 C GLU A 43 -8.492 -5.073 -6.789 1.00 0.00 C ATOM 633 O GLU A 43 -9.564 -4.501 -7.007 1.00 0.00 O ATOM 634 CB GLU A 43 -8.351 -7.291 -8.050 1.00 0.00 C ATOM 635 CG GLU A 43 -7.970 -8.184 -6.871 1.00 0.00 C ATOM 636 CD GLU A 43 -8.487 -9.607 -7.032 1.00 0.00 C ATOM 637 OE1 GLU A 43 -9.671 -9.824 -6.692 1.00 0.00 O ATOM 638 OE2 GLU A 43 -7.688 -10.457 -7.480 1.00 0.00 O ATOM 0 H GLU A 43 -5.944 -6.779 -7.789 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.107 -5.319 -8.839 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.437 -7.265 -8.138 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.967 -7.735 -8.969 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.885 -8.204 -6.769 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.369 -7.757 -5.951 1.00 0.00 H new ATOM 645 N ILE A 44 -7.891 -4.999 -5.589 1.00 0.00 N ATOM 646 CA ILE A 44 -8.540 -4.201 -4.539 1.00 0.00 C ATOM 647 C ILE A 44 -8.653 -2.739 -5.005 1.00 0.00 C ATOM 648 O ILE A 44 -9.568 -2.033 -4.584 1.00 0.00 O ATOM 649 CB ILE A 44 -7.891 -4.286 -3.135 1.00 0.00 C ATOM 650 CG1 ILE A 44 -6.973 -5.494 -2.941 1.00 0.00 C ATOM 651 CG2 ILE A 44 -9.029 -4.345 -2.105 1.00 0.00 C ATOM 652 CD1 ILE A 44 -6.453 -5.678 -1.512 1.00 0.00 C ATOM 0 H ILE A 44 -7.013 -5.451 -5.332 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.527 -4.643 -4.400 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.256 -3.409 -3.011 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.512 -6.394 -3.236 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.121 -5.398 -3.614 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.608 -4.406 -1.101 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.642 -3.447 -2.188 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.645 -5.224 -2.294 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.811 -6.558 -1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.882 -4.798 -1.216 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.295 -5.810 -0.833 1.00 0.00 H new ATOM 664 N ALA A 45 -7.775 -2.270 -5.903 1.00 0.00 N ATOM 665 CA ALA A 45 -7.909 -0.932 -6.476 1.00 0.00 C ATOM 666 C ALA A 45 -9.287 -0.785 -7.133 1.00 0.00 C ATOM 667 O ALA A 45 -9.930 0.254 -7.017 1.00 0.00 O ATOM 668 CB ALA A 45 -6.810 -0.684 -7.512 1.00 0.00 C ATOM 0 H ALA A 45 -6.971 -2.797 -6.244 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.810 -0.196 -5.678 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.923 0.316 -7.930 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.834 -0.770 -7.035 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.889 -1.422 -8.310 1.00 0.00 H new ATOM 674 N GLY A 46 -9.742 -1.842 -7.816 1.00 0.00 N ATOM 675 CA GLY A 46 -11.050 -1.891 -8.447 1.00 0.00 C ATOM 676 C GLY A 46 -12.142 -1.851 -7.380 1.00 0.00 C ATOM 677 O GLY A 46 -13.145 -1.160 -7.544 1.00 0.00 O ATOM 0 H GLY A 46 -9.198 -2.695 -7.943 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.166 -1.050 -9.130 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -11.143 -2.800 -9.042 1.00 0.00 H new ATOM 681 N GLU A 47 -11.951 -2.598 -6.284 1.00 0.00 N ATOM 682 CA GLU A 47 -12.880 -2.598 -5.167 1.00 0.00 C ATOM 683 C GLU A 47 -13.040 -1.180 -4.622 1.00 0.00 C ATOM 684 O GLU A 47 -14.146 -0.751 -4.306 1.00 0.00 O ATOM 685 CB GLU A 47 -12.399 -3.558 -4.077 1.00 0.00 C ATOM 686 CG GLU A 47 -12.350 -5.034 -4.517 1.00 0.00 C ATOM 687 CD GLU A 47 -13.716 -5.713 -4.663 1.00 0.00 C ATOM 688 OE1 GLU A 47 -14.734 -5.050 -4.367 1.00 0.00 O ATOM 689 OE2 GLU A 47 -13.709 -6.903 -5.047 1.00 0.00 O ATOM 0 H GLU A 47 -11.148 -3.214 -6.156 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.855 -2.943 -5.512 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.404 -3.253 -3.752 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.057 -3.469 -3.213 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.827 -5.096 -5.471 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.759 -5.594 -3.792 1.00 0.00 H new ATOM 696 N TYR A 48 -11.947 -0.415 -4.557 1.00 0.00 N ATOM 697 CA TYR A 48 -11.982 0.970 -4.080 1.00 0.00 C ATOM 698 C TYR A 48 -12.495 1.939 -5.141 1.00 0.00 C ATOM 699 O TYR A 48 -11.869 2.966 -5.407 1.00 0.00 O ATOM 700 CB TYR A 48 -10.612 1.448 -3.596 1.00 0.00 C ATOM 701 CG TYR A 48 -9.865 0.532 -2.669 1.00 0.00 C ATOM 702 CD1 TYR A 48 -10.527 -0.027 -1.567 1.00 0.00 C ATOM 703 CD2 TYR A 48 -8.491 0.315 -2.860 1.00 0.00 C ATOM 704 CE1 TYR A 48 -9.861 -0.965 -0.760 1.00 0.00 C ATOM 705 CE2 TYR A 48 -7.815 -0.600 -2.036 1.00 0.00 C ATOM 706 CZ TYR A 48 -8.495 -1.229 -0.979 1.00 0.00 C ATOM 707 OH TYR A 48 -7.819 -2.086 -0.163 1.00 0.00 O ATOM 0 H TYR A 48 -11.018 -0.736 -4.832 1.00 0.00 H new ATOM 0 HA TYR A 48 -12.677 0.967 -3.240 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.987 1.630 -4.470 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.744 2.406 -3.093 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.543 0.261 -1.340 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.958 0.847 -3.634 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.394 -1.481 0.025 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.773 -0.820 -2.215 1.00 0.00 H new ATOM 0 HH TYR A 48 -6.887 -2.153 -0.459 1.00 0.00 H new ATOM 717 N LYS A 49 -13.680 1.625 -5.676 1.00 0.00 N ATOM 718 CA LYS A 49 -14.469 2.476 -6.548 1.00 0.00 C ATOM 719 C LYS A 49 -14.793 3.692 -5.695 1.00 0.00 C ATOM 720 O LYS A 49 -14.642 4.835 -6.119 1.00 0.00 O ATOM 721 CB LYS A 49 -15.707 1.701 -7.026 1.00 0.00 C ATOM 722 CG LYS A 49 -16.635 2.467 -7.982 1.00 0.00 C ATOM 723 CD LYS A 49 -17.559 3.464 -7.262 1.00 0.00 C ATOM 724 CE LYS A 49 -18.748 3.871 -8.140 1.00 0.00 C ATOM 725 NZ LYS A 49 -18.317 4.548 -9.376 1.00 0.00 N ATOM 0 H LYS A 49 -14.129 0.726 -5.499 1.00 0.00 H new ATOM 0 HA LYS A 49 -13.960 2.788 -7.460 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -15.375 0.789 -7.522 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.284 1.397 -6.153 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -16.030 3.005 -8.712 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -17.244 1.753 -8.537 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.925 3.018 -6.337 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -16.991 4.352 -6.985 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -19.329 2.985 -8.396 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -19.406 4.532 -7.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.152 4.881 -9.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -17.713 5.360 -9.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -17.781 3.882 -9.968 1.00 0.00 H new ATOM 739 N ASP A 50 -15.196 3.441 -4.448 1.00 0.00 N ATOM 740 CA ASP A 50 -15.175 4.473 -3.440 1.00 0.00 C ATOM 741 C ASP A 50 -13.671 4.669 -3.287 1.00 0.00 C ATOM 742 O ASP A 50 -12.939 3.836 -2.757 1.00 0.00 O ATOM 743 CB ASP A 50 -15.781 4.051 -2.127 1.00 0.00 C ATOM 744 CG ASP A 50 -17.156 3.412 -2.275 1.00 0.00 C ATOM 745 OD1 ASP A 50 -17.185 2.217 -2.641 1.00 0.00 O ATOM 746 OD2 ASP A 50 -18.148 4.134 -2.036 1.00 0.00 O ATOM 0 H ASP A 50 -15.536 2.535 -4.125 1.00 0.00 H new ATOM 0 HA ASP A 50 -15.754 5.354 -3.718 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.111 3.345 -1.636 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.861 4.921 -1.475 1.00 0.00 H new ATOM 751 N LYS A 51 -13.262 5.807 -3.785 1.00 0.00 N ATOM 752 CA LYS A 51 -11.926 5.978 -4.265 1.00 0.00 C ATOM 753 C LYS A 51 -10.890 6.049 -3.171 1.00 0.00 C ATOM 754 O LYS A 51 -10.696 7.033 -2.460 1.00 0.00 O ATOM 755 CB LYS A 51 -11.770 7.253 -5.078 1.00 0.00 C ATOM 756 CG LYS A 51 -12.536 7.375 -6.404 1.00 0.00 C ATOM 757 CD LYS A 51 -11.782 6.845 -7.637 1.00 0.00 C ATOM 758 CE LYS A 51 -11.443 5.351 -7.576 1.00 0.00 C ATOM 759 NZ LYS A 51 -10.987 4.843 -8.881 1.00 0.00 N ATOM 0 H LYS A 51 -13.849 6.637 -3.867 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.758 5.090 -4.875 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.068 8.089 -4.445 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.709 7.380 -5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -13.479 6.836 -6.313 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -12.783 8.424 -6.570 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.385 7.033 -8.525 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.858 7.411 -7.754 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.667 5.184 -6.829 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.321 4.791 -7.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.767 3.830 -8.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.737 4.980 -9.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.134 5.360 -9.176 1.00 0.00 H new ATOM 773 N LEU A 52 -10.187 4.931 -3.175 1.00 0.00 N ATOM 774 CA LEU A 52 -8.966 4.693 -2.421 1.00 0.00 C ATOM 775 C LEU A 52 -7.909 4.304 -3.452 1.00 0.00 C ATOM 776 O LEU A 52 -8.113 3.355 -4.203 1.00 0.00 O ATOM 777 CB LEU A 52 -9.185 3.595 -1.362 1.00 0.00 C ATOM 778 CG LEU A 52 -8.867 4.055 0.054 1.00 0.00 C ATOM 779 CD1 LEU A 52 -9.914 5.095 0.455 1.00 0.00 C ATOM 780 CD2 LEU A 52 -8.969 2.846 0.990 1.00 0.00 C ATOM 0 H LEU A 52 -10.465 4.123 -3.732 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.648 5.575 -1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.221 3.260 -1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.562 2.735 -1.606 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.866 4.483 0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.711 5.444 1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.872 5.938 -0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.906 4.645 0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.744 3.156 2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.979 2.438 0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.256 2.083 0.677 1.00 0.00 H new ATOM 792 N LYS A 53 -6.794 5.025 -3.546 1.00 0.00 N ATOM 793 CA LYS A 53 -5.760 4.677 -4.510 1.00 0.00 C ATOM 794 C LYS A 53 -4.973 3.511 -3.916 1.00 0.00 C ATOM 795 O LYS A 53 -4.893 3.384 -2.696 1.00 0.00 O ATOM 796 CB LYS A 53 -4.890 5.914 -4.783 1.00 0.00 C ATOM 797 CG LYS A 53 -4.272 5.956 -6.190 1.00 0.00 C ATOM 798 CD LYS A 53 -2.853 5.377 -6.187 1.00 0.00 C ATOM 799 CE LYS A 53 -2.317 5.131 -7.601 1.00 0.00 C ATOM 800 NZ LYS A 53 -2.947 3.950 -8.217 1.00 0.00 N ATOM 0 H LYS A 53 -6.587 5.843 -2.973 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.169 4.368 -5.472 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.496 6.809 -4.638 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.088 5.949 -4.046 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.897 5.391 -6.882 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.248 6.985 -6.549 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.186 6.061 -5.663 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.848 4.439 -5.632 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.503 6.009 -8.220 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.237 4.991 -7.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.515 3.771 -9.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.806 3.122 -7.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.965 4.123 -8.337 1.00 0.00 H new ATOM 814 N CYS A 54 -4.428 2.635 -4.758 1.00 0.00 N ATOM 815 CA CYS A 54 -3.654 1.482 -4.319 1.00 0.00 C ATOM 816 C CYS A 54 -2.303 1.519 -5.024 1.00 0.00 C ATOM 817 O CYS A 54 -2.237 1.881 -6.203 1.00 0.00 O ATOM 818 CB CYS A 54 -4.423 0.205 -4.637 1.00 0.00 C ATOM 819 SG CYS A 54 -3.557 -1.165 -3.853 1.00 0.00 S ATOM 0 H CYS A 54 -4.514 2.709 -5.772 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.488 1.506 -3.242 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.446 0.273 -4.267 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.483 0.053 -5.715 1.00 0.00 H new ATOM 0 HG CYS A 54 -3.967 -2.287 -4.365 1.00 0.00 H new ATOM 825 N VAL A 55 -1.220 1.211 -4.307 1.00 0.00 N ATOM 826 CA VAL A 55 0.129 1.282 -4.841 1.00 0.00 C ATOM 827 C VAL A 55 1.001 0.217 -4.193 1.00 0.00 C ATOM 828 O VAL A 55 0.638 -0.342 -3.160 1.00 0.00 O ATOM 829 CB VAL A 55 0.755 2.676 -4.609 1.00 0.00 C ATOM 830 CG1 VAL A 55 1.252 3.249 -5.934 1.00 0.00 C ATOM 831 CG2 VAL A 55 -0.179 3.708 -3.978 1.00 0.00 C ATOM 0 H VAL A 55 -1.262 0.904 -3.335 1.00 0.00 H new ATOM 0 HA VAL A 55 0.073 1.108 -5.916 1.00 0.00 H new ATOM 0 HB VAL A 55 1.564 2.502 -3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.692 4.232 -5.763 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.004 2.584 -6.359 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.416 3.341 -6.627 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.352 4.652 -3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.044 3.859 -4.624 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.512 3.350 -3.004 1.00 0.00 H new ATOM 841 N LYS A 56 2.165 -0.034 -4.794 1.00 0.00 N ATOM 842 CA LYS A 56 3.137 -1.010 -4.337 1.00 0.00 C ATOM 843 C LYS A 56 4.543 -0.395 -4.309 1.00 0.00 C ATOM 844 O LYS A 56 5.123 -0.104 -5.357 1.00 0.00 O ATOM 845 CB LYS A 56 3.046 -2.220 -5.270 1.00 0.00 C ATOM 846 CG LYS A 56 2.093 -3.258 -4.678 1.00 0.00 C ATOM 847 CD LYS A 56 1.827 -4.427 -5.628 1.00 0.00 C ATOM 848 CE LYS A 56 0.883 -4.023 -6.767 1.00 0.00 C ATOM 849 NZ LYS A 56 0.530 -5.186 -7.595 1.00 0.00 N ATOM 0 H LYS A 56 2.460 0.456 -5.639 1.00 0.00 H new ATOM 0 HA LYS A 56 2.927 -1.328 -3.316 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.693 -1.907 -6.253 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.034 -2.658 -5.410 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.512 -3.640 -3.747 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.148 -2.776 -4.428 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.770 -4.781 -6.044 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.393 -5.258 -5.072 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.022 -3.578 -6.354 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.358 -3.262 -7.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.082 -4.881 -8.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.396 -5.615 -7.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.026 -5.886 -7.014 1.00 0.00 H new ATOM 863 N LEU A 57 5.098 -0.213 -3.106 1.00 0.00 N ATOM 864 CA LEU A 57 6.421 0.360 -2.877 1.00 0.00 C ATOM 865 C LEU A 57 7.451 -0.761 -2.796 1.00 0.00 C ATOM 866 O LEU A 57 7.400 -1.609 -1.906 1.00 0.00 O ATOM 867 CB LEU A 57 6.377 1.231 -1.610 1.00 0.00 C ATOM 868 CG LEU A 57 7.636 1.978 -1.164 1.00 0.00 C ATOM 869 CD1 LEU A 57 8.699 1.031 -0.605 1.00 0.00 C ATOM 870 CD2 LEU A 57 8.183 2.852 -2.290 1.00 0.00 C ATOM 0 H LEU A 57 4.621 -0.469 -2.241 1.00 0.00 H new ATOM 0 HA LEU A 57 6.719 1.005 -3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.590 1.972 -1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.068 0.590 -0.784 1.00 0.00 H new ATOM 0 HG LEU A 57 7.351 2.638 -0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.574 1.605 -0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.296 0.500 0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.985 0.312 -1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.077 3.371 -1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.434 2.227 -3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.429 3.583 -2.582 1.00 0.00 H new ATOM 882 N ASN A 58 8.393 -0.783 -3.746 1.00 0.00 N ATOM 883 CA ASN A 58 9.458 -1.779 -3.734 1.00 0.00 C ATOM 884 C ASN A 58 10.456 -1.408 -2.638 1.00 0.00 C ATOM 885 O ASN A 58 11.197 -0.435 -2.757 1.00 0.00 O ATOM 886 CB ASN A 58 10.133 -1.887 -5.099 1.00 0.00 C ATOM 887 CG ASN A 58 11.173 -3.007 -5.072 1.00 0.00 C ATOM 888 OD1 ASN A 58 12.089 -3.000 -4.258 1.00 0.00 O ATOM 889 ND2 ASN A 58 11.036 -4.003 -5.936 1.00 0.00 N ATOM 0 H ASN A 58 8.436 -0.126 -4.525 1.00 0.00 H new ATOM 0 HA ASN A 58 9.038 -2.762 -3.521 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.388 -2.088 -5.869 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.610 -0.941 -5.356 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.699 -4.779 -5.930 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.268 -3.994 -6.607 1.00 0.00 H new ATOM 896 N THR A 59 10.472 -2.204 -1.574 1.00 0.00 N ATOM 897 CA THR A 59 11.246 -1.960 -0.366 1.00 0.00 C ATOM 898 C THR A 59 12.749 -2.042 -0.643 1.00 0.00 C ATOM 899 O THR A 59 13.534 -1.321 -0.037 1.00 0.00 O ATOM 900 CB THR A 59 10.797 -2.975 0.700 1.00 0.00 C ATOM 901 OG1 THR A 59 9.385 -2.945 0.808 1.00 0.00 O ATOM 902 CG2 THR A 59 11.378 -2.659 2.079 1.00 0.00 C ATOM 0 H THR A 59 9.927 -3.065 -1.529 1.00 0.00 H new ATOM 0 HA THR A 59 11.064 -0.949 -0.001 1.00 0.00 H new ATOM 0 HB THR A 59 11.156 -3.955 0.385 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.992 -3.514 0.113 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.033 -3.402 2.798 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.467 -2.680 2.029 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.049 -1.669 2.394 1.00 0.00 H new ATOM 910 N ASP A 60 13.150 -2.908 -1.574 1.00 0.00 N ATOM 911 CA ASP A 60 14.546 -3.113 -1.942 1.00 0.00 C ATOM 912 C ASP A 60 15.084 -1.883 -2.681 1.00 0.00 C ATOM 913 O ASP A 60 16.220 -1.459 -2.490 1.00 0.00 O ATOM 914 CB ASP A 60 14.617 -4.362 -2.825 1.00 0.00 C ATOM 915 CG ASP A 60 15.989 -5.023 -2.770 1.00 0.00 C ATOM 916 OD1 ASP A 60 16.958 -4.417 -3.278 1.00 0.00 O ATOM 917 OD2 ASP A 60 16.032 -6.136 -2.202 1.00 0.00 O ATOM 0 H ASP A 60 12.502 -3.494 -2.100 1.00 0.00 H new ATOM 0 HA ASP A 60 15.162 -3.253 -1.054 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.858 -5.076 -2.505 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.386 -4.091 -3.855 1.00 0.00 H new ATOM 922 N GLU A 61 14.220 -1.309 -3.521 1.00 0.00 N ATOM 923 CA GLU A 61 14.479 -0.130 -4.336 1.00 0.00 C ATOM 924 C GLU A 61 14.296 1.165 -3.531 1.00 0.00 C ATOM 925 O GLU A 61 14.908 2.184 -3.845 1.00 0.00 O ATOM 926 CB GLU A 61 13.505 -0.159 -5.521 1.00 0.00 C ATOM 927 CG GLU A 61 13.951 0.710 -6.700 1.00 0.00 C ATOM 928 CD GLU A 61 15.114 0.087 -7.466 1.00 0.00 C ATOM 929 OE1 GLU A 61 14.854 -0.914 -8.169 1.00 0.00 O ATOM 930 OE2 GLU A 61 16.237 0.619 -7.334 1.00 0.00 O ATOM 0 H GLU A 61 13.277 -1.674 -3.654 1.00 0.00 H new ATOM 0 HA GLU A 61 15.513 -0.146 -4.681 1.00 0.00 H new ATOM 0 HB2 GLU A 61 13.390 -1.188 -5.861 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.524 0.176 -5.183 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.110 0.860 -7.377 1.00 0.00 H new ATOM 0 HG3 GLU A 61 14.245 1.694 -6.334 1.00 0.00 H new ATOM 937 N SER A 62 13.408 1.147 -2.530 1.00 0.00 N ATOM 938 CA SER A 62 13.077 2.276 -1.670 1.00 0.00 C ATOM 939 C SER A 62 13.275 1.935 -0.187 1.00 0.00 C ATOM 940 O SER A 62 12.357 2.131 0.616 1.00 0.00 O ATOM 941 CB SER A 62 11.630 2.682 -1.947 1.00 0.00 C ATOM 942 OG SER A 62 11.339 3.883 -1.267 1.00 0.00 O ATOM 0 H SER A 62 12.881 0.307 -2.292 1.00 0.00 H new ATOM 0 HA SER A 62 13.748 3.106 -1.891 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.477 2.812 -3.018 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.951 1.894 -1.621 1.00 0.00 H new ATOM 0 HG SER A 62 11.508 3.766 -0.309 1.00 0.00 H new ATOM 948 N PRO A 63 14.481 1.491 0.194 1.00 0.00 N ATOM 949 CA PRO A 63 14.848 1.193 1.564 1.00 0.00 C ATOM 950 C PRO A 63 14.819 2.487 2.367 1.00 0.00 C ATOM 951 O PRO A 63 14.572 2.465 3.565 1.00 0.00 O ATOM 952 CB PRO A 63 16.264 0.620 1.498 1.00 0.00 C ATOM 953 CG PRO A 63 16.846 1.349 0.288 1.00 0.00 C ATOM 954 CD PRO A 63 15.649 1.389 -0.657 1.00 0.00 C ATOM 0 HA PRO A 63 14.169 0.487 2.043 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.829 0.823 2.408 1.00 0.00 H new ATOM 0 HB3 PRO A 63 16.261 -0.461 1.360 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.199 2.348 0.543 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.691 0.813 -0.145 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.714 2.239 -1.336 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.607 0.491 -1.274 1.00 0.00 H new ATOM 962 N ASN A 64 15.086 3.610 1.695 1.00 0.00 N ATOM 963 CA ASN A 64 15.069 4.950 2.278 1.00 0.00 C ATOM 964 C ASN A 64 13.794 5.136 3.100 1.00 0.00 C ATOM 965 O ASN A 64 13.825 5.165 4.330 1.00 0.00 O ATOM 966 CB ASN A 64 15.148 6.015 1.168 1.00 0.00 C ATOM 967 CG ASN A 64 16.454 6.000 0.380 1.00 0.00 C ATOM 968 OD1 ASN A 64 17.357 5.214 0.648 1.00 0.00 O ATOM 969 ND2 ASN A 64 16.551 6.852 -0.634 1.00 0.00 N ATOM 0 H ASN A 64 15.326 3.610 0.704 1.00 0.00 H new ATOM 0 HA ASN A 64 15.934 5.066 2.931 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.318 5.866 0.477 1.00 0.00 H new ATOM 0 HB3 ASN A 64 15.018 7.000 1.615 1.00 0.00 H new ATOM 0 HD21 ASN A 64 17.391 6.863 -1.212 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.785 7.495 -0.835 1.00 0.00 H new ATOM 976 N VAL A 65 12.658 5.202 2.405 1.00 0.00 N ATOM 977 CA VAL A 65 11.354 5.403 3.009 1.00 0.00 C ATOM 978 C VAL A 65 11.110 4.348 4.081 1.00 0.00 C ATOM 979 O VAL A 65 10.861 4.671 5.237 1.00 0.00 O ATOM 980 CB VAL A 65 10.277 5.358 1.913 1.00 0.00 C ATOM 981 CG1 VAL A 65 8.873 5.528 2.503 1.00 0.00 C ATOM 982 CG2 VAL A 65 10.525 6.466 0.881 1.00 0.00 C ATOM 0 H VAL A 65 12.625 5.115 1.389 1.00 0.00 H new ATOM 0 HA VAL A 65 11.311 6.379 3.492 1.00 0.00 H new ATOM 0 HB VAL A 65 10.338 4.382 1.432 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.135 5.492 1.702 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.677 4.725 3.214 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.807 6.489 3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.756 6.424 0.110 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.491 7.437 1.375 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.505 6.325 0.424 1.00 0.00 H new ATOM 992 N ALA A 66 11.188 3.079 3.692 1.00 0.00 N ATOM 993 CA ALA A 66 10.924 1.965 4.587 1.00 0.00 C ATOM 994 C ALA A 66 11.716 2.059 5.895 1.00 0.00 C ATOM 995 O ALA A 66 11.146 1.885 6.967 1.00 0.00 O ATOM 996 CB ALA A 66 11.230 0.665 3.855 1.00 0.00 C ATOM 0 H ALA A 66 11.437 2.797 2.744 1.00 0.00 H new ATOM 0 HA ALA A 66 9.872 1.995 4.871 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.036 -0.179 4.516 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.596 0.587 2.971 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.277 0.656 3.553 1.00 0.00 H new ATOM 1002 N SER A 67 13.020 2.331 5.828 1.00 0.00 N ATOM 1003 CA SER A 67 13.865 2.433 7.009 1.00 0.00 C ATOM 1004 C SER A 67 13.400 3.597 7.880 1.00 0.00 C ATOM 1005 O SER A 67 13.174 3.418 9.074 1.00 0.00 O ATOM 1006 CB SER A 67 15.341 2.558 6.607 1.00 0.00 C ATOM 1007 OG SER A 67 15.580 3.693 5.801 1.00 0.00 O ATOM 0 H SER A 67 13.516 2.486 4.951 1.00 0.00 H new ATOM 0 HA SER A 67 13.775 1.522 7.601 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.957 2.616 7.505 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.646 1.661 6.068 1.00 0.00 H new ATOM 0 HG SER A 67 15.149 3.572 4.929 1.00 0.00 H new ATOM 1013 N GLU A 68 13.218 4.772 7.274 1.00 0.00 N ATOM 1014 CA GLU A 68 12.726 5.965 7.959 1.00 0.00 C ATOM 1015 C GLU A 68 11.401 5.670 8.675 1.00 0.00 C ATOM 1016 O GLU A 68 11.170 6.131 9.789 1.00 0.00 O ATOM 1017 CB GLU A 68 12.533 7.090 6.935 1.00 0.00 C ATOM 1018 CG GLU A 68 13.866 7.605 6.373 1.00 0.00 C ATOM 1019 CD GLU A 68 13.657 8.398 5.085 1.00 0.00 C ATOM 1020 OE1 GLU A 68 12.699 9.201 5.062 1.00 0.00 O ATOM 1021 OE2 GLU A 68 14.454 8.187 4.145 1.00 0.00 O ATOM 0 H GLU A 68 13.411 4.922 6.284 1.00 0.00 H new ATOM 0 HA GLU A 68 13.455 6.273 8.708 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.912 6.729 6.115 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.996 7.915 7.403 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.356 8.235 7.115 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.531 6.763 6.180 1.00 0.00 H new ATOM 1028 N TYR A 69 10.534 4.898 8.018 1.00 0.00 N ATOM 1029 CA TYR A 69 9.218 4.517 8.513 1.00 0.00 C ATOM 1030 C TYR A 69 9.302 3.374 9.538 1.00 0.00 C ATOM 1031 O TYR A 69 8.394 3.213 10.349 1.00 0.00 O ATOM 1032 CB TYR A 69 8.354 4.133 7.304 1.00 0.00 C ATOM 1033 CG TYR A 69 7.579 5.303 6.723 1.00 0.00 C ATOM 1034 CD1 TYR A 69 8.265 6.375 6.119 1.00 0.00 C ATOM 1035 CD2 TYR A 69 6.187 5.393 6.911 1.00 0.00 C ATOM 1036 CE1 TYR A 69 7.561 7.494 5.646 1.00 0.00 C ATOM 1037 CE2 TYR A 69 5.485 6.525 6.459 1.00 0.00 C ATOM 1038 CZ TYR A 69 6.170 7.569 5.817 1.00 0.00 C ATOM 1039 OH TYR A 69 5.489 8.671 5.394 1.00 0.00 O ATOM 0 H TYR A 69 10.739 4.510 7.097 1.00 0.00 H new ATOM 0 HA TYR A 69 8.765 5.356 9.041 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.993 3.709 6.529 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.653 3.353 7.601 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.340 6.336 6.019 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.657 4.591 7.403 1.00 0.00 H new ATOM 0 HE1 TYR A 69 8.089 8.296 5.151 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.417 6.591 6.606 1.00 0.00 H new ATOM 0 HH TYR A 69 5.949 9.064 4.623 1.00 0.00 H new ATOM 1049 N GLY A 70 10.371 2.578 9.505 1.00 0.00 N ATOM 1050 CA GLY A 70 10.625 1.493 10.448 1.00 0.00 C ATOM 1051 C GLY A 70 10.017 0.172 9.984 1.00 0.00 C ATOM 1052 O GLY A 70 9.683 -0.698 10.788 1.00 0.00 O ATOM 0 H GLY A 70 11.103 2.674 8.801 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.700 1.371 10.577 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.215 1.757 11.423 1.00 0.00 H new ATOM 1056 N ILE A 71 9.898 -0.001 8.670 1.00 0.00 N ATOM 1057 CA ILE A 71 9.281 -1.170 8.072 1.00 0.00 C ATOM 1058 C ILE A 71 10.315 -2.293 8.043 1.00 0.00 C ATOM 1059 O ILE A 71 10.928 -2.593 7.020 1.00 0.00 O ATOM 1060 CB ILE A 71 8.706 -0.788 6.698 1.00 0.00 C ATOM 1061 CG1 ILE A 71 7.816 0.450 6.901 1.00 0.00 C ATOM 1062 CG2 ILE A 71 7.911 -1.956 6.097 1.00 0.00 C ATOM 1063 CD1 ILE A 71 7.062 0.865 5.644 1.00 0.00 C ATOM 0 H ILE A 71 10.233 0.678 7.987 1.00 0.00 H new ATOM 0 HA ILE A 71 8.436 -1.540 8.653 1.00 0.00 H new ATOM 0 HB ILE A 71 9.507 -0.561 5.995 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.098 0.246 7.696 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.435 1.282 7.236 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.513 -1.664 5.125 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.567 -2.818 5.976 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.088 -2.216 6.762 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.454 1.744 5.858 1.00 0.00 H new ATOM 0 HD12 ILE A 71 7.774 1.100 4.853 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.417 0.048 5.320 1.00 0.00 H new ATOM 1075 N ARG A 72 10.465 -2.944 9.197 1.00 0.00 N ATOM 1076 CA ARG A 72 11.419 -4.025 9.397 1.00 0.00 C ATOM 1077 C ARG A 72 10.923 -5.355 8.812 1.00 0.00 C ATOM 1078 O ARG A 72 11.628 -6.361 8.895 1.00 0.00 O ATOM 1079 CB ARG A 72 11.661 -4.200 10.904 1.00 0.00 C ATOM 1080 CG ARG A 72 10.355 -4.443 11.682 1.00 0.00 C ATOM 1081 CD ARG A 72 10.610 -5.334 12.901 1.00 0.00 C ATOM 1082 NE ARG A 72 9.404 -5.470 13.728 1.00 0.00 N ATOM 1083 CZ ARG A 72 8.376 -6.302 13.497 1.00 0.00 C ATOM 1084 NH1 ARG A 72 8.326 -7.070 12.401 1.00 0.00 N ATOM 1085 NH2 ARG A 72 7.380 -6.360 14.386 1.00 0.00 N ATOM 0 H ARG A 72 9.916 -2.728 10.029 1.00 0.00 H new ATOM 0 HA ARG A 72 12.340 -3.759 8.878 1.00 0.00 H new ATOM 0 HB2 ARG A 72 12.339 -5.038 11.066 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.155 -3.311 11.296 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.934 -3.490 12.003 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.619 -4.913 11.029 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.939 -6.319 12.571 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.417 -4.912 13.499 1.00 0.00 H new ATOM 0 HE ARG A 72 9.342 -4.877 14.555 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.081 -7.032 11.717 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.533 -7.693 12.251 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.409 -5.778 15.223 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.591 -6.986 14.227 1.00 0.00 H new ATOM 1099 N SER A 73 9.705 -5.407 8.267 1.00 0.00 N ATOM 1100 CA SER A 73 9.132 -6.613 7.692 1.00 0.00 C ATOM 1101 C SER A 73 8.070 -6.196 6.677 1.00 0.00 C ATOM 1102 O SER A 73 7.549 -5.087 6.764 1.00 0.00 O ATOM 1103 CB SER A 73 8.525 -7.489 8.796 1.00 0.00 C ATOM 1104 OG SER A 73 9.411 -7.615 9.896 1.00 0.00 O ATOM 0 H SER A 73 9.086 -4.598 8.215 1.00 0.00 H new ATOM 0 HA SER A 73 9.903 -7.201 7.194 1.00 0.00 H new ATOM 0 HB2 SER A 73 7.583 -7.055 9.132 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.296 -8.476 8.395 1.00 0.00 H new ATOM 0 HG SER A 73 9.269 -8.480 10.333 1.00 0.00 H new ATOM 1110 N ILE A 74 7.765 -7.083 5.729 1.00 0.00 N ATOM 1111 CA ILE A 74 6.797 -6.889 4.658 1.00 0.00 C ATOM 1112 C ILE A 74 6.152 -8.256 4.396 1.00 0.00 C ATOM 1113 O ILE A 74 6.769 -9.261 4.752 1.00 0.00 O ATOM 1114 CB ILE A 74 7.503 -6.327 3.405 1.00 0.00 C ATOM 1115 CG1 ILE A 74 8.730 -7.146 2.977 1.00 0.00 C ATOM 1116 CG2 ILE A 74 7.891 -4.860 3.639 1.00 0.00 C ATOM 1117 CD1 ILE A 74 9.128 -6.758 1.550 1.00 0.00 C ATOM 0 H ILE A 74 8.210 -8.000 5.689 1.00 0.00 H new ATOM 0 HA ILE A 74 6.028 -6.165 4.929 1.00 0.00 H new ATOM 0 HB ILE A 74 6.790 -6.397 2.583 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.559 -6.963 3.660 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.505 -8.211 3.027 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.389 -4.469 2.751 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.994 -4.274 3.840 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.566 -4.794 4.492 1.00 0.00 H new ATOM 0 HD11 ILE A 74 9.999 -7.338 1.245 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.299 -6.963 0.873 1.00 0.00 H new ATOM 0 HD13 ILE A 74 9.370 -5.696 1.516 1.00 0.00 H new ATOM 1129 N PRO A 75 4.947 -8.355 3.810 1.00 0.00 N ATOM 1130 CA PRO A 75 4.095 -7.284 3.316 1.00 0.00 C ATOM 1131 C PRO A 75 3.378 -6.524 4.424 1.00 0.00 C ATOM 1132 O PRO A 75 2.994 -7.078 5.456 1.00 0.00 O ATOM 1133 CB PRO A 75 3.057 -7.947 2.417 1.00 0.00 C ATOM 1134 CG PRO A 75 2.956 -9.366 2.988 1.00 0.00 C ATOM 1135 CD PRO A 75 4.347 -9.646 3.544 1.00 0.00 C ATOM 0 HA PRO A 75 4.712 -6.552 2.795 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.099 -7.428 2.456 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.373 -7.954 1.374 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.196 -9.429 3.767 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.683 -10.087 2.217 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.289 -10.242 4.454 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.944 -10.212 2.830 1.00 0.00 H new ATOM 1143 N THR A 76 3.181 -5.235 4.175 1.00 0.00 N ATOM 1144 CA THR A 76 2.502 -4.314 5.067 1.00 0.00 C ATOM 1145 C THR A 76 1.989 -3.168 4.198 1.00 0.00 C ATOM 1146 O THR A 76 2.766 -2.518 3.496 1.00 0.00 O ATOM 1147 CB THR A 76 3.458 -3.854 6.182 1.00 0.00 C ATOM 1148 OG1 THR A 76 3.731 -4.930 7.062 1.00 0.00 O ATOM 1149 CG2 THR A 76 2.856 -2.732 7.030 1.00 0.00 C ATOM 0 H THR A 76 3.502 -4.790 3.315 1.00 0.00 H new ATOM 0 HA THR A 76 1.660 -4.778 5.581 1.00 0.00 H new ATOM 0 HB THR A 76 4.361 -3.497 5.687 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.395 -5.764 6.673 1.00 0.00 H new ATOM 0 HG21 THR A 76 3.566 -2.440 7.804 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.637 -1.873 6.395 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.935 -3.082 7.496 1.00 0.00 H new ATOM 1157 N ILE A 77 0.672 -2.969 4.205 1.00 0.00 N ATOM 1158 CA ILE A 77 -0.024 -1.943 3.458 1.00 0.00 C ATOM 1159 C ILE A 77 -0.252 -0.777 4.404 1.00 0.00 C ATOM 1160 O ILE A 77 -0.919 -0.969 5.416 1.00 0.00 O ATOM 1161 CB ILE A 77 -1.358 -2.484 2.904 1.00 0.00 C ATOM 1162 CG1 ILE A 77 -1.158 -3.849 2.217 1.00 0.00 C ATOM 1163 CG2 ILE A 77 -1.937 -1.455 1.920 1.00 0.00 C ATOM 1164 CD1 ILE A 77 -2.434 -4.394 1.569 1.00 0.00 C ATOM 0 H ILE A 77 0.040 -3.548 4.758 1.00 0.00 H new ATOM 0 HA ILE A 77 0.565 -1.621 2.599 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.057 -2.636 3.726 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.384 -3.755 1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.796 -4.568 2.952 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.881 -1.825 1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.107 -0.512 2.439 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.234 -1.298 1.102 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.223 -5.357 1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.204 -4.520 2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.785 -3.694 0.811 1.00 0.00 H new ATOM 1176 N MET A 78 0.322 0.402 4.150 1.00 0.00 N ATOM 1177 CA MET A 78 0.055 1.568 4.990 1.00 0.00 C ATOM 1178 C MET A 78 -0.988 2.435 4.303 1.00 0.00 C ATOM 1179 O MET A 78 -1.042 2.500 3.074 1.00 0.00 O ATOM 1180 CB MET A 78 1.309 2.375 5.291 1.00 0.00 C ATOM 1181 CG MET A 78 2.379 1.507 5.956 1.00 0.00 C ATOM 1182 SD MET A 78 3.771 2.430 6.643 1.00 0.00 S ATOM 1183 CE MET A 78 4.403 1.184 7.787 1.00 0.00 C ATOM 0 H MET A 78 0.967 0.572 3.378 1.00 0.00 H new ATOM 0 HA MET A 78 -0.318 1.216 5.952 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.703 2.798 4.367 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.058 3.212 5.943 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.915 0.927 6.754 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.758 0.794 5.223 1.00 0.00 H new ATOM 0 HE1 MET A 78 5.275 1.578 8.309 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.630 0.930 8.512 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.686 0.290 7.231 1.00 0.00 H new ATOM 1193 N VAL A 79 -1.802 3.097 5.122 1.00 0.00 N ATOM 1194 CA VAL A 79 -2.919 3.920 4.688 1.00 0.00 C ATOM 1195 C VAL A 79 -2.537 5.386 4.797 1.00 0.00 C ATOM 1196 O VAL A 79 -2.515 5.929 5.899 1.00 0.00 O ATOM 1197 CB VAL A 79 -4.161 3.643 5.556 1.00 0.00 C ATOM 1198 CG1 VAL A 79 -5.298 4.615 5.190 1.00 0.00 C ATOM 1199 CG2 VAL A 79 -4.637 2.194 5.406 1.00 0.00 C ATOM 0 H VAL A 79 -1.696 3.072 6.136 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.156 3.677 3.652 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.880 3.799 6.598 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.169 4.407 5.812 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.969 5.640 5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.563 4.487 4.140 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.515 2.033 6.032 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.894 2.001 4.364 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.842 1.516 5.715 1.00 0.00 H new ATOM 1209 N PHE A 80 -2.271 6.032 3.665 1.00 0.00 N ATOM 1210 CA PHE A 80 -2.032 7.462 3.605 1.00 0.00 C ATOM 1211 C PHE A 80 -3.388 8.114 3.397 1.00 0.00 C ATOM 1212 O PHE A 80 -4.102 7.756 2.466 1.00 0.00 O ATOM 1213 CB PHE A 80 -1.022 7.781 2.508 1.00 0.00 C ATOM 1214 CG PHE A 80 0.366 7.297 2.872 1.00 0.00 C ATOM 1215 CD1 PHE A 80 0.716 5.946 2.685 1.00 0.00 C ATOM 1216 CD2 PHE A 80 1.255 8.164 3.533 1.00 0.00 C ATOM 1217 CE1 PHE A 80 1.954 5.471 3.148 1.00 0.00 C ATOM 1218 CE2 PHE A 80 2.470 7.675 4.040 1.00 0.00 C ATOM 1219 CZ PHE A 80 2.811 6.322 3.866 1.00 0.00 C ATOM 0 H PHE A 80 -2.216 5.569 2.758 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.588 7.852 4.521 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.338 7.315 1.575 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.999 8.857 2.335 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.033 5.275 2.186 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.003 9.207 3.651 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.248 4.450 2.952 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.143 8.338 4.564 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.730 5.938 4.283 1.00 0.00 H new ATOM 1229 N LYS A 81 -3.758 9.034 4.289 1.00 0.00 N ATOM 1230 CA LYS A 81 -5.070 9.687 4.289 1.00 0.00 C ATOM 1231 C LYS A 81 -4.975 11.169 3.925 1.00 0.00 C ATOM 1232 O LYS A 81 -5.971 11.887 3.989 1.00 0.00 O ATOM 1233 CB LYS A 81 -5.722 9.489 5.671 1.00 0.00 C ATOM 1234 CG LYS A 81 -5.256 10.443 6.787 1.00 0.00 C ATOM 1235 CD LYS A 81 -3.730 10.547 6.916 1.00 0.00 C ATOM 1236 CE LYS A 81 -3.305 11.303 8.179 1.00 0.00 C ATOM 1237 NZ LYS A 81 -3.436 10.475 9.390 1.00 0.00 N ATOM 0 H LYS A 81 -3.148 9.351 5.042 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.692 9.227 3.522 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.801 9.595 5.559 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.534 8.465 5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.664 11.436 6.597 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.669 10.105 7.737 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -3.300 9.546 6.932 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -3.327 11.053 6.039 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.271 11.630 8.074 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.914 12.200 8.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.455 11.088 10.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.318 9.926 9.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.627 9.825 9.455 1.00 0.00 H new ATOM 1251 N GLY A 82 -3.767 11.617 3.574 1.00 0.00 N ATOM 1252 CA GLY A 82 -3.460 12.994 3.260 1.00 0.00 C ATOM 1253 C GLY A 82 -2.071 13.303 3.801 1.00 0.00 C ATOM 1254 O GLY A 82 -1.906 13.503 5.005 1.00 0.00 O ATOM 0 H GLY A 82 -2.956 11.002 3.501 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.494 13.155 2.183 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.199 13.660 3.705 1.00 0.00 H new ATOM 1258 N GLY A 83 -1.056 13.294 2.934 1.00 0.00 N ATOM 1259 CA GLY A 83 0.310 13.577 3.339 1.00 0.00 C ATOM 1260 C GLY A 83 0.934 12.406 4.090 1.00 0.00 C ATOM 1261 O GLY A 83 1.792 11.708 3.557 1.00 0.00 O ATOM 0 H GLY A 83 -1.163 13.091 1.940 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.910 13.805 2.458 1.00 0.00 H new ATOM 0 HA3 GLY A 83 0.325 14.464 3.973 1.00 0.00 H new ATOM 1265 N LYS A 84 0.510 12.200 5.335 1.00 0.00 N ATOM 1266 CA LYS A 84 1.053 11.179 6.222 1.00 0.00 C ATOM 1267 C LYS A 84 0.132 9.960 6.308 1.00 0.00 C ATOM 1268 O LYS A 84 -0.980 9.951 5.769 1.00 0.00 O ATOM 1269 CB LYS A 84 1.285 11.798 7.610 1.00 0.00 C ATOM 1270 CG LYS A 84 2.153 13.067 7.576 1.00 0.00 C ATOM 1271 CD LYS A 84 3.531 12.816 6.946 1.00 0.00 C ATOM 1272 CE LYS A 84 4.407 14.068 7.058 1.00 0.00 C ATOM 1273 NZ LYS A 84 5.720 13.858 6.424 1.00 0.00 N ATOM 0 H LYS A 84 -0.235 12.750 5.762 1.00 0.00 H new ATOM 0 HA LYS A 84 2.002 10.826 5.818 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.321 12.038 8.058 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.761 11.059 8.254 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.635 13.843 7.013 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.283 13.442 8.591 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.018 11.978 7.444 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.414 12.539 5.898 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.903 14.911 6.586 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.544 14.326 8.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.292 14.722 6.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.209 13.068 6.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.588 13.635 5.417 1.00 0.00 H new ATOM 1287 N LYS A 85 0.630 8.916 6.979 1.00 0.00 N ATOM 1288 CA LYS A 85 -0.111 7.687 7.194 1.00 0.00 C ATOM 1289 C LYS A 85 -1.120 7.870 8.328 1.00 0.00 C ATOM 1290 O LYS A 85 -1.012 8.802 9.124 1.00 0.00 O ATOM 1291 CB LYS A 85 0.837 6.510 7.466 1.00 0.00 C ATOM 1292 CG LYS A 85 1.641 6.641 8.767 1.00 0.00 C ATOM 1293 CD LYS A 85 2.403 5.350 9.098 1.00 0.00 C ATOM 1294 CE LYS A 85 1.462 4.212 9.522 1.00 0.00 C ATOM 1295 NZ LYS A 85 2.223 3.063 10.039 1.00 0.00 N ATOM 0 H LYS A 85 1.565 8.909 7.387 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.663 7.451 6.284 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.255 5.589 7.502 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.531 6.416 6.631 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.347 7.467 8.677 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.967 6.886 9.588 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.979 5.037 8.227 1.00 0.00 H new ATOM 0 HD3 LYS A 85 3.116 5.546 9.898 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.774 4.571 10.287 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.857 3.899 8.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.597 2.236 10.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.008 2.847 9.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.602 3.293 10.980 1.00 0.00 H new ATOM 1309 N CYS A 86 -2.103 6.972 8.393 1.00 0.00 N ATOM 1310 CA CYS A 86 -3.111 6.922 9.442 1.00 0.00 C ATOM 1311 C CYS A 86 -3.012 5.566 10.134 1.00 0.00 C ATOM 1312 O CYS A 86 -2.611 5.490 11.292 1.00 0.00 O ATOM 1313 CB CYS A 86 -4.501 7.150 8.853 1.00 0.00 C ATOM 1314 SG CYS A 86 -5.643 7.259 10.246 1.00 0.00 S ATOM 0 H CYS A 86 -2.220 6.239 7.694 1.00 0.00 H new ATOM 0 HA CYS A 86 -2.940 7.712 10.173 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.525 8.065 8.260 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -4.779 6.332 8.188 1.00 0.00 H new ATOM 0 HG CYS A 86 -6.849 7.456 9.804 1.00 0.00 H new ATOM 1320 N GLU A 87 -3.339 4.495 9.403 1.00 0.00 N ATOM 1321 CA GLU A 87 -3.246 3.118 9.876 1.00 0.00 C ATOM 1322 C GLU A 87 -2.412 2.291 8.890 1.00 0.00 C ATOM 1323 O GLU A 87 -1.781 2.826 7.975 1.00 0.00 O ATOM 1324 CB GLU A 87 -4.644 2.491 10.044 1.00 0.00 C ATOM 1325 CG GLU A 87 -5.716 3.431 10.620 1.00 0.00 C ATOM 1326 CD GLU A 87 -6.524 4.165 9.550 1.00 0.00 C ATOM 1327 OE1 GLU A 87 -6.103 4.145 8.373 1.00 0.00 O ATOM 1328 OE2 GLU A 87 -7.565 4.743 9.932 1.00 0.00 O ATOM 0 H GLU A 87 -3.683 4.568 8.445 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.761 3.121 10.852 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.983 2.131 9.073 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.559 1.621 10.694 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.397 2.853 11.245 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.235 4.164 11.267 1.00 0.00 H new ATOM 1335 N THR A 88 -2.426 0.969 9.070 1.00 0.00 N ATOM 1336 CA THR A 88 -1.733 0.017 8.226 1.00 0.00 C ATOM 1337 C THR A 88 -2.427 -1.339 8.371 1.00 0.00 C ATOM 1338 O THR A 88 -3.280 -1.492 9.246 1.00 0.00 O ATOM 1339 CB THR A 88 -0.240 -0.012 8.604 1.00 0.00 C ATOM 1340 OG1 THR A 88 0.464 -0.905 7.773 1.00 0.00 O ATOM 1341 CG2 THR A 88 -0.007 -0.435 10.059 1.00 0.00 C ATOM 0 H THR A 88 -2.938 0.526 9.833 1.00 0.00 H new ATOM 0 HA THR A 88 -1.776 0.300 7.174 1.00 0.00 H new ATOM 0 HB THR A 88 0.123 1.007 8.474 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.039 -0.935 6.891 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.062 -0.438 10.270 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.507 0.267 10.726 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.411 -1.435 10.216 1.00 0.00 H new ATOM 1349 N ILE A 89 -2.114 -2.296 7.500 1.00 0.00 N ATOM 1350 CA ILE A 89 -2.665 -3.641 7.477 1.00 0.00 C ATOM 1351 C ILE A 89 -1.495 -4.559 7.123 1.00 0.00 C ATOM 1352 O ILE A 89 -0.753 -4.247 6.196 1.00 0.00 O ATOM 1353 CB ILE A 89 -3.789 -3.747 6.419 1.00 0.00 C ATOM 1354 CG1 ILE A 89 -4.809 -2.598 6.548 1.00 0.00 C ATOM 1355 CG2 ILE A 89 -4.499 -5.102 6.568 1.00 0.00 C ATOM 1356 CD1 ILE A 89 -5.896 -2.617 5.470 1.00 0.00 C ATOM 0 H ILE A 89 -1.434 -2.142 6.755 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.110 -3.914 8.434 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.335 -3.669 5.431 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -5.281 -2.652 7.529 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.279 -1.647 6.501 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.292 -5.181 5.824 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -3.780 -5.908 6.419 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.929 -5.180 7.567 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.577 -1.780 5.625 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.434 -2.532 4.486 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -6.452 -3.553 5.530 1.00 0.00 H new ATOM 1368 N ILE A 90 -1.301 -5.670 7.834 1.00 0.00 N ATOM 1369 CA ILE A 90 -0.229 -6.606 7.507 1.00 0.00 C ATOM 1370 C ILE A 90 -0.734 -7.428 6.319 1.00 0.00 C ATOM 1371 O ILE A 90 -1.928 -7.708 6.245 1.00 0.00 O ATOM 1372 CB ILE A 90 0.109 -7.477 8.734 1.00 0.00 C ATOM 1373 CG1 ILE A 90 0.604 -6.571 9.879 1.00 0.00 C ATOM 1374 CG2 ILE A 90 1.189 -8.512 8.378 1.00 0.00 C ATOM 1375 CD1 ILE A 90 0.846 -7.327 11.189 1.00 0.00 C ATOM 0 H ILE A 90 -1.870 -5.942 8.636 1.00 0.00 H new ATOM 0 HA ILE A 90 0.699 -6.100 7.240 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.787 -8.011 9.051 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.530 -6.083 9.573 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.129 -5.783 10.052 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.415 -9.118 9.255 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.826 -9.155 7.576 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.092 -7.997 8.050 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.193 -6.630 11.952 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.083 -7.792 11.518 1.00 0.00 H new ATOM 0 HD13 ILE A 90 1.601 -8.097 11.031 1.00 0.00 H new ATOM 1387 N GLY A 91 0.137 -7.760 5.359 1.00 0.00 N ATOM 1388 CA GLY A 91 -0.290 -8.516 4.187 1.00 0.00 C ATOM 1389 C GLY A 91 -0.487 -10.002 4.502 1.00 0.00 C ATOM 1390 O GLY A 91 -0.684 -10.375 5.655 1.00 0.00 O ATOM 0 H GLY A 91 1.128 -7.519 5.373 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.223 -8.099 3.807 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.452 -8.409 3.396 1.00 0.00 H new ATOM 1394 N ALA A 92 -0.412 -10.859 3.475 1.00 0.00 N ATOM 1395 CA ALA A 92 -0.699 -12.287 3.586 1.00 0.00 C ATOM 1396 C ALA A 92 -2.093 -12.496 4.204 1.00 0.00 C ATOM 1397 O ALA A 92 -2.246 -13.208 5.193 1.00 0.00 O ATOM 1398 CB ALA A 92 0.411 -12.994 4.378 1.00 0.00 C ATOM 0 H ALA A 92 -0.146 -10.572 2.533 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.715 -12.737 2.593 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.184 -14.057 4.453 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.364 -12.862 3.866 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.474 -12.565 5.378 1.00 0.00 H new ATOM 1404 N VAL A 93 -3.112 -11.878 3.594 1.00 0.00 N ATOM 1405 CA VAL A 93 -4.513 -11.933 4.009 1.00 0.00 C ATOM 1406 C VAL A 93 -5.380 -12.129 2.765 1.00 0.00 C ATOM 1407 O VAL A 93 -4.945 -11.752 1.675 1.00 0.00 O ATOM 1408 CB VAL A 93 -4.977 -10.594 4.633 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -5.645 -10.743 5.994 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -3.894 -9.519 4.745 1.00 0.00 C ATOM 0 H VAL A 93 -2.973 -11.303 2.763 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.608 -12.741 4.734 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.714 -10.257 3.903 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.941 -9.761 6.364 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.527 -11.376 5.899 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.945 -11.199 6.695 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.318 -8.621 5.194 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.080 -9.887 5.369 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.512 -9.283 3.752 1.00 0.00 H new ATOM 1420 N PRO A 94 -6.613 -12.644 2.898 1.00 0.00 N ATOM 1421 CA PRO A 94 -7.574 -12.604 1.824 1.00 0.00 C ATOM 1422 C PRO A 94 -7.988 -11.145 1.699 1.00 0.00 C ATOM 1423 O PRO A 94 -8.145 -10.445 2.703 1.00 0.00 O ATOM 1424 CB PRO A 94 -8.777 -13.446 2.257 1.00 0.00 C ATOM 1425 CG PRO A 94 -8.250 -14.224 3.468 1.00 0.00 C ATOM 1426 CD PRO A 94 -7.244 -13.235 4.057 1.00 0.00 C ATOM 0 HA PRO A 94 -7.183 -12.984 0.880 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -9.630 -12.821 2.521 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -9.106 -14.115 1.462 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -9.044 -14.470 4.174 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.779 -15.163 3.178 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.738 -12.481 4.670 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.517 -13.738 4.694 1.00 0.00 H new ATOM 1434 N LYS A 95 -8.212 -10.684 0.477 1.00 0.00 N ATOM 1435 CA LYS A 95 -8.580 -9.299 0.285 1.00 0.00 C ATOM 1436 C LYS A 95 -9.884 -8.960 0.990 1.00 0.00 C ATOM 1437 O LYS A 95 -10.066 -7.814 1.380 1.00 0.00 O ATOM 1438 CB LYS A 95 -8.710 -8.952 -1.199 1.00 0.00 C ATOM 1439 CG LYS A 95 -9.336 -10.049 -2.074 1.00 0.00 C ATOM 1440 CD LYS A 95 -9.611 -9.521 -3.487 1.00 0.00 C ATOM 1441 CE LYS A 95 -10.898 -8.689 -3.562 1.00 0.00 C ATOM 1442 NZ LYS A 95 -11.089 -8.132 -4.912 1.00 0.00 N ATOM 0 H LYS A 95 -8.146 -11.239 -0.376 1.00 0.00 H new ATOM 0 HA LYS A 95 -7.777 -8.706 0.722 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -9.311 -8.047 -1.293 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -7.719 -8.719 -1.590 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.666 -10.908 -2.125 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -10.265 -10.396 -1.622 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -8.769 -8.912 -3.814 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -9.684 -10.361 -4.178 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.753 -9.311 -3.297 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.855 -7.879 -2.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.099 -7.936 -5.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -10.547 -7.249 -5.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -10.756 -8.817 -5.620 1.00 0.00 H new ATOM 1456 N ALA A 96 -10.786 -9.929 1.150 1.00 0.00 N ATOM 1457 CA ALA A 96 -12.027 -9.711 1.888 1.00 0.00 C ATOM 1458 C ALA A 96 -11.698 -9.027 3.221 1.00 0.00 C ATOM 1459 O ALA A 96 -12.156 -7.919 3.492 1.00 0.00 O ATOM 1460 CB ALA A 96 -12.742 -11.047 2.105 1.00 0.00 C ATOM 0 H ALA A 96 -10.679 -10.872 0.778 1.00 0.00 H new ATOM 0 HA ALA A 96 -12.697 -9.065 1.321 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -13.667 -10.879 2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -12.971 -11.498 1.140 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -12.097 -11.717 2.674 1.00 0.00 H new ATOM 1466 N THR A 97 -10.828 -9.657 4.012 1.00 0.00 N ATOM 1467 CA THR A 97 -10.371 -9.143 5.289 1.00 0.00 C ATOM 1468 C THR A 97 -9.781 -7.739 5.125 1.00 0.00 C ATOM 1469 O THR A 97 -10.105 -6.843 5.905 1.00 0.00 O ATOM 1470 CB THR A 97 -9.343 -10.133 5.849 1.00 0.00 C ATOM 1471 OG1 THR A 97 -9.853 -11.444 5.693 1.00 0.00 O ATOM 1472 CG2 THR A 97 -9.052 -9.878 7.330 1.00 0.00 C ATOM 0 H THR A 97 -10.417 -10.559 3.770 1.00 0.00 H new ATOM 0 HA THR A 97 -11.202 -9.049 5.988 1.00 0.00 H new ATOM 0 HB THR A 97 -8.409 -10.006 5.302 1.00 0.00 H new ATOM 0 HG1 THR A 97 -9.287 -12.076 6.184 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.319 -10.601 7.687 1.00 0.00 H new ATOM 0 HG22 THR A 97 -8.657 -8.870 7.455 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.972 -9.981 7.905 1.00 0.00 H new ATOM 1480 N ILE A 98 -8.928 -7.535 4.115 1.00 0.00 N ATOM 1481 CA ILE A 98 -8.319 -6.233 3.852 1.00 0.00 C ATOM 1482 C ILE A 98 -9.426 -5.187 3.658 1.00 0.00 C ATOM 1483 O ILE A 98 -9.395 -4.128 4.281 1.00 0.00 O ATOM 1484 CB ILE A 98 -7.368 -6.309 2.634 1.00 0.00 C ATOM 1485 CG1 ILE A 98 -6.227 -7.300 2.925 1.00 0.00 C ATOM 1486 CG2 ILE A 98 -6.787 -4.919 2.324 1.00 0.00 C ATOM 1487 CD1 ILE A 98 -5.232 -7.444 1.768 1.00 0.00 C ATOM 0 H ILE A 98 -8.644 -8.265 3.462 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.711 -5.932 4.705 1.00 0.00 H new ATOM 0 HB ILE A 98 -7.932 -6.654 1.768 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.691 -6.973 3.816 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -6.654 -8.277 3.150 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -6.120 -4.987 1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.599 -4.227 2.099 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.230 -4.556 3.188 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -4.455 -8.158 2.043 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -5.755 -7.801 0.881 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -4.777 -6.476 1.557 1.00 0.00 H new ATOM 1499 N VAL A 99 -10.419 -5.479 2.819 1.00 0.00 N ATOM 1500 CA VAL A 99 -11.527 -4.581 2.541 1.00 0.00 C ATOM 1501 C VAL A 99 -12.316 -4.325 3.831 1.00 0.00 C ATOM 1502 O VAL A 99 -12.618 -3.175 4.125 1.00 0.00 O ATOM 1503 CB VAL A 99 -12.386 -5.152 1.399 1.00 0.00 C ATOM 1504 CG1 VAL A 99 -13.665 -4.335 1.180 1.00 0.00 C ATOM 1505 CG2 VAL A 99 -11.597 -5.135 0.082 1.00 0.00 C ATOM 0 H VAL A 99 -10.472 -6.360 2.308 1.00 0.00 H new ATOM 0 HA VAL A 99 -11.162 -3.613 2.199 1.00 0.00 H new ATOM 0 HB VAL A 99 -12.651 -6.170 1.686 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.241 -4.773 0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -14.262 -4.343 2.092 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -13.402 -3.308 0.927 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -12.216 -5.541 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -11.317 -4.110 -0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -10.698 -5.741 0.189 1.00 0.00 H new ATOM 1515 N GLN A 100 -12.630 -5.354 4.626 1.00 0.00 N ATOM 1516 CA GLN A 100 -13.351 -5.159 5.889 1.00 0.00 C ATOM 1517 C GLN A 100 -12.553 -4.217 6.778 1.00 0.00 C ATOM 1518 O GLN A 100 -13.105 -3.310 7.396 1.00 0.00 O ATOM 1519 CB GLN A 100 -13.600 -6.491 6.613 1.00 0.00 C ATOM 1520 CG GLN A 100 -14.898 -7.182 6.174 1.00 0.00 C ATOM 1521 CD GLN A 100 -14.823 -7.668 4.736 1.00 0.00 C ATOM 1522 OE1 GLN A 100 -14.634 -8.854 4.485 1.00 0.00 O ATOM 1523 NE2 GLN A 100 -14.910 -6.749 3.781 1.00 0.00 N ATOM 0 H GLN A 100 -12.398 -6.325 4.419 1.00 0.00 H new ATOM 0 HA GLN A 100 -14.326 -4.724 5.667 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -12.759 -7.160 6.429 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -13.636 -6.312 7.688 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.100 -8.027 6.833 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -15.732 -6.488 6.280 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -15.068 -5.772 4.027 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -14.819 -7.021 2.802 1.00 0.00 H new ATOM 1532 N THR A 101 -11.244 -4.432 6.817 1.00 0.00 N ATOM 1533 CA THR A 101 -10.352 -3.586 7.606 1.00 0.00 C ATOM 1534 C THR A 101 -10.428 -2.138 7.088 1.00 0.00 C ATOM 1535 O THR A 101 -10.581 -1.201 7.872 1.00 0.00 O ATOM 1536 CB THR A 101 -8.927 -4.154 7.592 1.00 0.00 C ATOM 1537 OG1 THR A 101 -8.947 -5.503 8.013 1.00 0.00 O ATOM 1538 CG2 THR A 101 -8.020 -3.381 8.551 1.00 0.00 C ATOM 0 H THR A 101 -10.775 -5.184 6.312 1.00 0.00 H new ATOM 0 HA THR A 101 -10.669 -3.575 8.649 1.00 0.00 H new ATOM 0 HB THR A 101 -8.546 -4.068 6.575 1.00 0.00 H new ATOM 0 HG1 THR A 101 -9.261 -6.070 7.278 1.00 0.00 H new ATOM 0 HG21 THR A 101 -7.016 -3.804 8.522 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.982 -2.334 8.251 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.415 -3.454 9.564 1.00 0.00 H new ATOM 1546 N VAL A 102 -10.355 -1.947 5.766 1.00 0.00 N ATOM 1547 CA VAL A 102 -10.489 -0.630 5.153 1.00 0.00 C ATOM 1548 C VAL A 102 -11.813 0.002 5.575 1.00 0.00 C ATOM 1549 O VAL A 102 -11.834 1.152 6.001 1.00 0.00 O ATOM 1550 CB VAL A 102 -10.361 -0.736 3.622 1.00 0.00 C ATOM 1551 CG1 VAL A 102 -10.885 0.510 2.899 1.00 0.00 C ATOM 1552 CG2 VAL A 102 -8.891 -0.922 3.241 1.00 0.00 C ATOM 0 H VAL A 102 -10.202 -2.701 5.097 1.00 0.00 H new ATOM 0 HA VAL A 102 -9.684 0.018 5.499 1.00 0.00 H new ATOM 0 HB VAL A 102 -10.964 -1.591 3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -10.771 0.381 1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -11.939 0.653 3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -10.319 1.383 3.222 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.803 -0.997 2.157 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -8.313 -0.068 3.594 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.509 -1.834 3.700 1.00 0.00 H new ATOM 1562 N GLU A 103 -12.913 -0.740 5.468 1.00 0.00 N ATOM 1563 CA GLU A 103 -14.228 -0.266 5.859 1.00 0.00 C ATOM 1564 C GLU A 103 -14.187 0.184 7.320 1.00 0.00 C ATOM 1565 O GLU A 103 -14.589 1.293 7.644 1.00 0.00 O ATOM 1566 CB GLU A 103 -15.266 -1.366 5.608 1.00 0.00 C ATOM 1567 CG GLU A 103 -15.471 -1.611 4.105 1.00 0.00 C ATOM 1568 CD GLU A 103 -16.354 -2.830 3.839 1.00 0.00 C ATOM 1569 OE1 GLU A 103 -15.843 -3.962 4.001 1.00 0.00 O ATOM 1570 OE2 GLU A 103 -17.527 -2.616 3.467 1.00 0.00 O ATOM 0 H GLU A 103 -12.911 -1.693 5.104 1.00 0.00 H new ATOM 0 HA GLU A 103 -14.522 0.595 5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -14.943 -2.290 6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -16.215 -1.084 6.065 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -15.924 -0.729 3.652 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -14.503 -1.753 3.625 1.00 0.00 H new ATOM 1577 N LYS A 104 -13.626 -0.646 8.201 1.00 0.00 N ATOM 1578 CA LYS A 104 -13.479 -0.311 9.615 1.00 0.00 C ATOM 1579 C LYS A 104 -12.786 1.052 9.760 1.00 0.00 C ATOM 1580 O LYS A 104 -13.205 1.871 10.578 1.00 0.00 O ATOM 1581 CB LYS A 104 -12.777 -1.468 10.367 1.00 0.00 C ATOM 1582 CG LYS A 104 -11.445 -1.204 11.094 1.00 0.00 C ATOM 1583 CD LYS A 104 -11.437 -0.238 12.294 1.00 0.00 C ATOM 1584 CE LYS A 104 -12.575 -0.431 13.304 1.00 0.00 C ATOM 1585 NZ LYS A 104 -13.841 0.172 12.845 1.00 0.00 N ATOM 0 H LYS A 104 -13.262 -1.566 7.954 1.00 0.00 H new ATOM 0 HA LYS A 104 -14.456 -0.203 10.086 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -13.481 -1.852 11.105 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -12.603 -2.267 9.647 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -11.061 -2.164 11.440 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -10.736 -0.823 10.358 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.487 -0.345 12.818 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.479 0.784 11.916 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -12.725 -1.496 13.479 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -12.290 0.012 14.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -14.286 0.685 13.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -13.648 0.833 12.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -14.482 -0.577 12.513 1.00 0.00 H new ATOM 1599 N TYR A 105 -11.728 1.304 8.981 1.00 0.00 N ATOM 1600 CA TYR A 105 -11.022 2.581 9.020 1.00 0.00 C ATOM 1601 C TYR A 105 -11.852 3.721 8.410 1.00 0.00 C ATOM 1602 O TYR A 105 -11.803 4.840 8.916 1.00 0.00 O ATOM 1603 CB TYR A 105 -9.671 2.451 8.297 1.00 0.00 C ATOM 1604 CG TYR A 105 -8.681 1.438 8.856 1.00 0.00 C ATOM 1605 CD1 TYR A 105 -8.655 1.119 10.228 1.00 0.00 C ATOM 1606 CD2 TYR A 105 -7.692 0.904 8.007 1.00 0.00 C ATOM 1607 CE1 TYR A 105 -7.688 0.233 10.732 1.00 0.00 C ATOM 1608 CE2 TYR A 105 -6.691 0.061 8.523 1.00 0.00 C ATOM 1609 CZ TYR A 105 -6.696 -0.284 9.886 1.00 0.00 C ATOM 1610 OH TYR A 105 -5.719 -1.076 10.413 1.00 0.00 O ATOM 0 H TYR A 105 -11.344 0.634 8.314 1.00 0.00 H new ATOM 0 HA TYR A 105 -10.852 2.835 10.066 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -9.867 2.193 7.256 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.191 3.430 8.298 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -9.382 1.558 10.896 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -7.702 1.143 6.954 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -7.709 -0.051 11.774 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -5.919 -0.321 7.872 1.00 0.00 H new ATOM 0 HH TYR A 105 -4.939 -1.072 9.820 1.00 0.00 H new ATOM 1620 N LEU A 106 -12.576 3.464 7.317 1.00 0.00 N ATOM 1621 CA LEU A 106 -13.380 4.463 6.620 1.00 0.00 C ATOM 1622 C LEU A 106 -14.793 4.523 7.210 1.00 0.00 C ATOM 1623 O LEU A 106 -15.086 5.383 8.038 1.00 0.00 O ATOM 1624 CB LEU A 106 -13.389 4.162 5.108 1.00 0.00 C ATOM 1625 CG LEU A 106 -11.998 4.198 4.449 1.00 0.00 C ATOM 1626 CD1 LEU A 106 -12.130 3.860 2.958 1.00 0.00 C ATOM 1627 CD2 LEU A 106 -11.308 5.560 4.594 1.00 0.00 C ATOM 0 H LEU A 106 -12.618 2.540 6.887 1.00 0.00 H new ATOM 0 HA LEU A 106 -12.938 5.449 6.759 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -13.829 3.178 4.947 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -14.034 4.885 4.609 1.00 0.00 H new ATOM 0 HG LEU A 106 -11.381 3.461 4.963 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.146 3.885 2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -12.559 2.864 2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -12.780 4.590 2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.332 5.526 4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -11.920 6.330 4.123 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -11.182 5.793 5.651 1.00 0.00 H new ATOM 1639 N ASN A 107 -15.677 3.648 6.743 1.00 0.00 N ATOM 1640 CA ASN A 107 -17.058 3.481 7.153 1.00 0.00 C ATOM 1641 C ASN A 107 -17.471 2.122 6.585 1.00 0.00 C ATOM 1642 O ASN A 107 -18.462 1.554 7.093 1.00 0.00 O ATOM 1643 CB ASN A 107 -17.934 4.612 6.591 1.00 0.00 C ATOM 1644 CG ASN A 107 -19.290 4.758 7.287 1.00 0.00 C ATOM 1645 OD1 ASN A 107 -19.737 5.874 7.534 1.00 0.00 O ATOM 1646 ND2 ASN A 107 -19.978 3.669 7.609 1.00 0.00 N ATOM 1647 OXT ASN A 107 -16.787 1.688 5.628 1.00 0.00 O ATOM 0 H ASN A 107 -15.421 2.987 6.010 1.00 0.00 H new ATOM 0 HA ASN A 107 -17.177 3.521 8.236 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -17.391 5.553 6.676 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -18.100 4.434 5.529 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -20.886 3.756 8.066 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -19.599 2.746 7.400 1.00 0.00 H new TER 1654 ASN A 107