USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 677 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 4 ASN : amide:sc= -0.244 K(o=-0.96,f=-2.3) USER MOD Set 1.2: A 6 TYR OH : rot 41:sc= 0.0138 USER MOD Set 1.3: A 78 SER OG : rot 91:sc= -0.734! USER MOD Set 2.1: A 3 GLN : amide:sc= -10.7! C(o=-9.4!,f=-14!) USER MOD Set 2.2: A 41 LYS NZ :NH3+ -150:sc= 0.938 (180deg=0.112) USER MOD Set 2.3: A 64 TYR OH : rot 54:sc= 0.362 USER MOD Single : A 1 MET CE :methyl 155:sc= -1.12 (180deg=-2.92!) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.0769 (180deg=-0.318) USER MOD Single : A 5 SER OG : rot 180:sc= 0.00427 USER MOD Single : A 12 THR OG1 : rot 84:sc= 0.0936 USER MOD Single : A 15 HIS : no HD1:sc= -10.1! C(o=-10!,f=-9.7!) USER MOD Single : A 20 THR OG1 : rot 99:sc= 0.346 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0563 USER MOD Single : A 28 LYS NZ :NH3+ -164:sc= -0.371 (180deg=-1.08) USER MOD Single : A 31 SER OG : rot 70:sc= -1.54 USER MOD Single : A 34 GLN :FLIP amide:sc= -1.15 F(o=-1.7,f=-1.1) USER MOD Single : A 37 TYR OH : rot 132:sc= -0.362 USER MOD Single : A 38 ASN :FLIP amide:sc= -11.1! C(o=-12!,f=-11!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.621 F(o=-2.7,f=-0.62) USER MOD Single : A 45 LYS NZ :NH3+ 167:sc= -1.7 (180deg=-2.01) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 147:sc= -0.806! (180deg=-3.07!) USER MOD Single : A 52 SER OG : rot 94:sc= 0.593 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -1.83 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -39:sc= -1.68! USER MOD Single : A 75 GLN :FLIP amide:sc= -0.764 F(o=-3.4!,f=-0.76) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.699 2.231 13.885 1.00 0.00 N ATOM 2 CA MET A 1 -7.929 1.274 12.816 1.00 0.00 C ATOM 3 C MET A 1 -6.842 0.197 12.800 1.00 0.00 C ATOM 4 O MET A 1 -6.025 0.122 13.716 1.00 0.00 O ATOM 5 CB MET A 1 -7.944 2.003 11.471 1.00 0.00 C ATOM 6 CG MET A 1 -6.522 2.243 10.961 1.00 0.00 C ATOM 7 SD MET A 1 -6.372 3.905 10.327 1.00 0.00 S ATOM 8 CE MET A 1 -7.004 4.826 11.720 1.00 0.00 C ATOM 0 H1 MET A 1 -8.321 3.054 13.754 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.905 1.784 14.801 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.706 2.540 13.866 1.00 0.00 H new ATOM 0 HA MET A 1 -8.891 0.791 12.988 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.501 1.416 10.741 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.462 2.956 11.576 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.806 2.087 11.768 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.281 1.523 10.178 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.594 5.836 11.705 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.091 4.875 11.661 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.713 4.330 12.646 1.00 0.00 H new ATOM 18 N GLU A 2 -6.868 -0.610 11.749 1.00 0.00 N ATOM 19 CA GLU A 2 -5.895 -1.679 11.602 1.00 0.00 C ATOM 20 C GLU A 2 -5.003 -1.421 10.386 1.00 0.00 C ATOM 21 O GLU A 2 -5.500 -1.191 9.285 1.00 0.00 O ATOM 22 CB GLU A 2 -6.587 -3.039 11.497 1.00 0.00 C ATOM 23 CG GLU A 2 -6.319 -3.686 10.136 1.00 0.00 C ATOM 24 CD GLU A 2 -6.985 -5.061 10.042 1.00 0.00 C ATOM 25 OE1 GLU A 2 -6.293 -6.075 9.876 1.00 0.00 O ATOM 26 OE2 GLU A 2 -8.271 -5.051 10.147 1.00 0.00 O ATOM 0 H GLU A 2 -7.548 -0.545 10.991 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.266 -1.697 12.492 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.231 -3.695 12.292 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.661 -2.917 11.641 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.695 -3.041 9.342 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.245 -3.787 9.983 1.00 0.00 H new ATOM 34 N GLN A 3 -3.702 -1.469 10.628 1.00 0.00 N ATOM 35 CA GLN A 3 -2.735 -1.244 9.566 1.00 0.00 C ATOM 36 C GLN A 3 -1.855 -2.481 9.377 1.00 0.00 C ATOM 37 O GLN A 3 -2.021 -3.478 10.078 1.00 0.00 O ATOM 38 CB GLN A 3 -1.885 -0.004 9.852 1.00 0.00 C ATOM 39 CG GLN A 3 -0.954 -0.241 11.042 1.00 0.00 C ATOM 40 CD GLN A 3 0.356 0.532 10.875 1.00 0.00 C ATOM 41 OE1 GLN A 3 0.463 1.462 10.093 1.00 0.00 O ATOM 42 NE2 GLN A 3 1.346 0.095 11.650 1.00 0.00 N ATOM 0 H GLN A 3 -3.294 -1.660 11.543 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.279 -1.065 8.638 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.297 0.249 8.970 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.534 0.847 10.057 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.448 0.069 11.963 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -0.743 -1.306 11.137 1.00 0.00 H new ATOM 0 HE21 GLN A 3 1.190 -0.689 12.283 1.00 0.00 H new ATOM 0 HE22 GLN A 3 2.261 0.544 11.610 1.00 0.00 H new ATOM 51 N ASN A 4 -0.936 -2.375 8.429 1.00 0.00 N ATOM 52 CA ASN A 4 -0.029 -3.473 8.140 1.00 0.00 C ATOM 53 C ASN A 4 1.269 -2.916 7.554 1.00 0.00 C ATOM 54 O ASN A 4 1.242 -2.147 6.595 1.00 0.00 O ATOM 55 CB ASN A 4 -0.636 -4.434 7.116 1.00 0.00 C ATOM 56 CG ASN A 4 -1.006 -5.768 7.767 1.00 0.00 C ATOM 57 OD1 ASN A 4 -0.853 -6.833 7.191 1.00 0.00 O ATOM 58 ND2 ASN A 4 -1.501 -5.651 8.995 1.00 0.00 N ATOM 0 H ASN A 4 -0.800 -1.546 7.851 1.00 0.00 H new ATOM 0 HA ASN A 4 0.159 -4.009 9.070 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -1.524 -3.984 6.671 1.00 0.00 H new ATOM 0 HB3 ASN A 4 0.074 -4.605 6.307 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.779 -6.484 9.514 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -1.602 -4.729 9.418 1.00 0.00 H new ATOM 65 N SER A 5 2.377 -3.325 8.156 1.00 0.00 N ATOM 66 CA SER A 5 3.683 -2.877 7.705 1.00 0.00 C ATOM 67 C SER A 5 4.324 -3.942 6.815 1.00 0.00 C ATOM 68 O SER A 5 3.990 -5.121 6.913 1.00 0.00 O ATOM 69 CB SER A 5 4.595 -2.557 8.892 1.00 0.00 C ATOM 70 OG SER A 5 3.913 -2.680 10.138 1.00 0.00 O ATOM 0 H SER A 5 2.396 -3.962 8.952 1.00 0.00 H new ATOM 0 HA SER A 5 3.550 -1.963 7.126 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.454 -3.228 8.881 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.982 -1.543 8.789 1.00 0.00 H new ATOM 0 HG SER A 5 4.529 -2.469 10.870 1.00 0.00 H new ATOM 76 N TYR A 6 5.234 -3.488 5.965 1.00 0.00 N ATOM 77 CA TYR A 6 5.926 -4.388 5.058 1.00 0.00 C ATOM 78 C TYR A 6 7.284 -3.817 4.648 1.00 0.00 C ATOM 79 O TYR A 6 7.663 -2.732 5.088 1.00 0.00 O ATOM 80 CB TYR A 6 5.038 -4.500 3.818 1.00 0.00 C ATOM 81 CG TYR A 6 3.630 -5.025 4.105 1.00 0.00 C ATOM 82 CD1 TYR A 6 3.462 -6.240 4.737 1.00 0.00 C ATOM 83 CD2 TYR A 6 2.527 -4.282 3.733 1.00 0.00 C ATOM 84 CE1 TYR A 6 2.137 -6.734 5.007 1.00 0.00 C ATOM 85 CE2 TYR A 6 1.202 -4.777 4.003 1.00 0.00 C ATOM 86 CZ TYR A 6 1.072 -5.978 4.627 1.00 0.00 C ATOM 87 OH TYR A 6 -0.180 -6.444 4.882 1.00 0.00 O ATOM 0 H TYR A 6 5.508 -2.509 5.886 1.00 0.00 H new ATOM 0 HA TYR A 6 6.103 -5.352 5.535 1.00 0.00 H new ATOM 0 HB2 TYR A 6 4.960 -3.519 3.350 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.520 -5.160 3.097 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.325 -6.820 5.029 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.658 -3.330 3.240 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.992 -7.684 5.500 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.331 -4.207 3.716 1.00 0.00 H new ATOM 0 HH TYR A 6 -0.204 -6.846 5.775 1.00 0.00 H new ATOM 97 N VAL A 7 7.980 -4.572 3.811 1.00 0.00 N ATOM 98 CA VAL A 7 9.289 -4.154 3.337 1.00 0.00 C ATOM 99 C VAL A 7 9.345 -4.299 1.815 1.00 0.00 C ATOM 100 O VAL A 7 8.862 -5.287 1.264 1.00 0.00 O ATOM 101 CB VAL A 7 10.383 -4.948 4.054 1.00 0.00 C ATOM 102 CG1 VAL A 7 9.781 -6.072 4.898 1.00 0.00 C ATOM 103 CG2 VAL A 7 11.406 -5.497 3.057 1.00 0.00 C ATOM 0 H VAL A 7 7.662 -5.471 3.449 1.00 0.00 H new ATOM 0 HA VAL A 7 9.463 -3.104 3.570 1.00 0.00 H new ATOM 0 HB VAL A 7 10.904 -4.267 4.727 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.580 -6.620 5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.111 -5.647 5.646 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.222 -6.751 4.254 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.172 -6.057 3.593 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.905 -6.155 2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.870 -4.670 2.520 1.00 0.00 H new ATOM 113 N ILE A 8 9.942 -3.301 1.179 1.00 0.00 N ATOM 114 CA ILE A 8 10.067 -3.305 -0.268 1.00 0.00 C ATOM 115 C ILE A 8 11.278 -4.152 -0.667 1.00 0.00 C ATOM 116 O ILE A 8 12.368 -3.977 -0.126 1.00 0.00 O ATOM 117 CB ILE A 8 10.114 -1.874 -0.806 1.00 0.00 C ATOM 118 CG1 ILE A 8 8.854 -1.098 -0.414 1.00 0.00 C ATOM 119 CG2 ILE A 8 10.346 -1.863 -2.318 1.00 0.00 C ATOM 120 CD1 ILE A 8 7.592 -1.851 -0.842 1.00 0.00 C ATOM 0 H ILE A 8 10.344 -2.485 1.640 1.00 0.00 H new ATOM 0 HA ILE A 8 9.190 -3.764 -0.725 1.00 0.00 H new ATOM 0 HB ILE A 8 10.962 -1.365 -0.347 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.840 -0.941 0.665 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.870 -0.113 -0.880 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.375 -0.833 -2.674 1.00 0.00 H new ATOM 0 HG22 ILE A 8 11.293 -2.352 -2.544 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.535 -2.396 -2.814 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.711 -1.279 -0.552 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.598 -1.985 -1.924 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.568 -2.826 -0.356 1.00 0.00 H new ATOM 132 N ILE A 9 11.045 -5.051 -1.612 1.00 0.00 N ATOM 133 CA ILE A 9 12.102 -5.926 -2.091 1.00 0.00 C ATOM 134 C ILE A 9 12.234 -5.776 -3.607 1.00 0.00 C ATOM 135 O ILE A 9 13.093 -6.405 -4.224 1.00 0.00 O ATOM 136 CB ILE A 9 11.854 -7.364 -1.634 1.00 0.00 C ATOM 137 CG1 ILE A 9 10.638 -7.963 -2.341 1.00 0.00 C ATOM 138 CG2 ILE A 9 11.729 -7.442 -0.111 1.00 0.00 C ATOM 139 CD1 ILE A 9 10.694 -9.492 -2.330 1.00 0.00 C ATOM 0 H ILE A 9 10.139 -5.193 -2.059 1.00 0.00 H new ATOM 0 HA ILE A 9 13.060 -5.639 -1.658 1.00 0.00 H new ATOM 0 HB ILE A 9 12.718 -7.965 -1.917 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.725 -7.626 -1.850 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.598 -7.605 -3.370 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.553 -8.476 0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.650 -7.084 0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.895 -6.822 0.218 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.817 -9.892 -2.839 1.00 0.00 H new ATOM 0 HD12 ILE A 9 11.596 -9.827 -2.843 1.00 0.00 H new ATOM 0 HD13 ILE A 9 10.709 -9.848 -1.300 1.00 0.00 H new ATOM 151 N ASP A 10 11.370 -4.941 -4.165 1.00 0.00 N ATOM 152 CA ASP A 10 11.380 -4.701 -5.599 1.00 0.00 C ATOM 153 C ASP A 10 12.239 -3.471 -5.899 1.00 0.00 C ATOM 154 O ASP A 10 12.000 -2.394 -5.357 1.00 0.00 O ATOM 155 CB ASP A 10 9.967 -4.430 -6.121 1.00 0.00 C ATOM 156 CG ASP A 10 9.879 -4.127 -7.618 1.00 0.00 C ATOM 157 OD1 ASP A 10 8.784 -3.938 -8.168 1.00 0.00 O ATOM 158 OD2 ASP A 10 11.012 -4.087 -8.234 1.00 0.00 O ATOM 0 H ASP A 10 10.658 -4.422 -3.651 1.00 0.00 H new ATOM 0 HA ASP A 10 11.781 -5.589 -6.088 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.343 -5.297 -5.904 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.547 -3.589 -5.570 1.00 0.00 H new ATOM 164 N GLU A 11 13.223 -3.674 -6.764 1.00 0.00 N ATOM 165 CA GLU A 11 14.119 -2.595 -7.144 1.00 0.00 C ATOM 166 C GLU A 11 13.368 -1.546 -7.967 1.00 0.00 C ATOM 167 O GLU A 11 13.908 -0.481 -8.262 1.00 0.00 O ATOM 168 CB GLU A 11 15.328 -3.132 -7.912 1.00 0.00 C ATOM 169 CG GLU A 11 15.084 -3.084 -9.422 1.00 0.00 C ATOM 170 CD GLU A 11 15.483 -1.724 -10.000 1.00 0.00 C ATOM 171 OE1 GLU A 11 14.717 -1.130 -10.771 1.00 0.00 O ATOM 172 OE2 GLU A 11 16.636 -1.288 -9.619 1.00 0.00 O ATOM 0 H GLU A 11 13.419 -4.569 -7.212 1.00 0.00 H new ATOM 0 HA GLU A 11 14.489 -2.119 -6.236 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.211 -2.544 -7.664 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.532 -4.158 -7.605 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.655 -3.873 -9.911 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.032 -3.277 -9.630 1.00 0.00 H new ATOM 180 N THR A 12 12.134 -1.884 -8.313 1.00 0.00 N ATOM 181 CA THR A 12 11.304 -0.984 -9.096 1.00 0.00 C ATOM 182 C THR A 12 10.514 -0.052 -8.177 1.00 0.00 C ATOM 183 O THR A 12 9.962 0.950 -8.628 1.00 0.00 O ATOM 184 CB THR A 12 10.416 -1.833 -10.008 1.00 0.00 C ATOM 185 OG1 THR A 12 11.340 -2.598 -10.778 1.00 0.00 O ATOM 186 CG2 THR A 12 9.671 -0.994 -11.046 1.00 0.00 C ATOM 0 H THR A 12 11.689 -2.768 -8.066 1.00 0.00 H new ATOM 0 HA THR A 12 11.911 -0.332 -9.724 1.00 0.00 H new ATOM 0 HB THR A 12 9.696 -2.384 -9.403 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.612 -3.390 -10.270 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.056 -1.645 -11.667 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.034 -0.269 -10.539 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.391 -0.469 -11.674 1.00 0.00 H new ATOM 194 N GLY A 13 10.485 -0.414 -6.902 1.00 0.00 N ATOM 195 CA GLY A 13 9.772 0.377 -5.915 1.00 0.00 C ATOM 196 C GLY A 13 8.311 0.578 -6.324 1.00 0.00 C ATOM 197 O GLY A 13 8.030 1.162 -7.370 1.00 0.00 O ATOM 0 H GLY A 13 10.945 -1.245 -6.531 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.817 -0.119 -4.945 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.258 1.346 -5.800 1.00 0.00 H new ATOM 201 N ILE A 14 7.419 0.083 -5.479 1.00 0.00 N ATOM 202 CA ILE A 14 5.994 0.201 -5.740 1.00 0.00 C ATOM 203 C ILE A 14 5.754 1.342 -6.730 1.00 0.00 C ATOM 204 O ILE A 14 5.920 2.512 -6.388 1.00 0.00 O ATOM 205 CB ILE A 14 5.220 0.353 -4.428 1.00 0.00 C ATOM 206 CG1 ILE A 14 4.357 -0.881 -4.155 1.00 0.00 C ATOM 207 CG2 ILE A 14 4.396 1.641 -4.423 1.00 0.00 C ATOM 208 CD1 ILE A 14 2.961 -0.718 -4.761 1.00 0.00 C ATOM 0 H ILE A 14 7.655 -0.401 -4.613 1.00 0.00 H new ATOM 0 HA ILE A 14 5.615 -0.710 -6.204 1.00 0.00 H new ATOM 0 HB ILE A 14 5.940 0.429 -3.613 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.838 -1.765 -4.573 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.274 -1.041 -3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.856 1.724 -3.480 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.060 2.498 -4.538 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.684 1.621 -5.248 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.368 -1.608 -4.553 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.474 0.153 -4.323 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.046 -0.582 -5.839 1.00 0.00 H new ATOM 220 N HIS A 15 5.368 0.961 -7.939 1.00 0.00 N ATOM 221 CA HIS A 15 5.103 1.938 -8.982 1.00 0.00 C ATOM 222 C HIS A 15 3.597 2.030 -9.228 1.00 0.00 C ATOM 223 O HIS A 15 2.803 1.517 -8.441 1.00 0.00 O ATOM 224 CB HIS A 15 5.892 1.605 -10.250 1.00 0.00 C ATOM 225 CG HIS A 15 6.197 0.135 -10.416 1.00 0.00 C ATOM 226 ND1 HIS A 15 5.748 -0.606 -11.495 1.00 0.00 N ATOM 227 CD2 HIS A 15 6.911 -0.720 -9.630 1.00 0.00 C ATOM 228 CE1 HIS A 15 6.177 -1.852 -11.354 1.00 0.00 C ATOM 229 NE2 HIS A 15 6.897 -1.921 -10.197 1.00 0.00 N ATOM 0 H HIS A 15 5.232 -0.010 -8.220 1.00 0.00 H new ATOM 0 HA HIS A 15 5.444 2.922 -8.659 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.328 1.949 -11.117 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.829 2.161 -10.239 1.00 0.00 H new ATOM 0 HD2 HIS A 15 7.404 -0.464 -8.704 1.00 0.00 H new ATOM 0 HE1 HIS A 15 5.990 -2.669 -12.035 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.350 -2.757 -9.828 1.00 0.00 H new ATOM 237 N ALA A 16 3.247 2.688 -10.324 1.00 0.00 N ATOM 238 CA ALA A 16 1.849 2.854 -10.684 1.00 0.00 C ATOM 239 C ALA A 16 1.253 1.491 -11.039 1.00 0.00 C ATOM 240 O ALA A 16 0.049 1.281 -10.901 1.00 0.00 O ATOM 241 CB ALA A 16 1.733 3.859 -11.832 1.00 0.00 C ATOM 0 H ALA A 16 3.908 3.113 -10.975 1.00 0.00 H new ATOM 0 HA ALA A 16 1.281 3.253 -9.844 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.684 3.983 -12.102 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.143 4.819 -11.518 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.289 3.492 -12.695 1.00 0.00 H new ATOM 247 N ARG A 17 2.123 0.600 -11.490 1.00 0.00 N ATOM 248 CA ARG A 17 1.698 -0.738 -11.866 1.00 0.00 C ATOM 249 C ARG A 17 1.017 -1.430 -10.684 1.00 0.00 C ATOM 250 O ARG A 17 -0.177 -1.725 -10.735 1.00 0.00 O ATOM 251 CB ARG A 17 2.885 -1.584 -12.328 1.00 0.00 C ATOM 252 CG ARG A 17 2.803 -1.873 -13.828 1.00 0.00 C ATOM 253 CD ARG A 17 3.618 -3.115 -14.194 1.00 0.00 C ATOM 254 NE ARG A 17 4.140 -2.989 -15.574 1.00 0.00 N ATOM 255 CZ ARG A 17 5.093 -2.122 -15.940 1.00 0.00 C ATOM 256 NH1 ARG A 17 5.634 -1.297 -15.032 1.00 0.00 N ATOM 257 NH2 ARG A 17 5.505 -2.078 -17.214 1.00 0.00 N ATOM 0 H ARG A 17 3.121 0.778 -11.604 1.00 0.00 H new ATOM 0 HA ARG A 17 0.992 -0.642 -12.691 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.816 -1.063 -12.105 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.905 -2.522 -11.774 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.762 -2.019 -14.117 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.172 -1.014 -14.388 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.444 -3.237 -13.494 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.996 -4.006 -14.112 1.00 0.00 H new ATOM 0 HE ARG A 17 3.749 -3.601 -16.291 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.320 -1.330 -14.062 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.360 -0.637 -15.311 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.093 -2.705 -17.905 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.231 -1.418 -17.493 1.00 0.00 H new ATOM 271 N PRO A 18 1.825 -1.677 -9.618 1.00 0.00 N ATOM 272 CA PRO A 18 1.313 -2.329 -8.425 1.00 0.00 C ATOM 273 C PRO A 18 0.459 -1.366 -7.597 1.00 0.00 C ATOM 274 O PRO A 18 -0.652 -1.706 -7.194 1.00 0.00 O ATOM 275 CB PRO A 18 2.547 -2.816 -7.683 1.00 0.00 C ATOM 276 CG PRO A 18 3.713 -2.019 -8.244 1.00 0.00 C ATOM 277 CD PRO A 18 3.243 -1.343 -9.522 1.00 0.00 C ATOM 0 HA PRO A 18 0.647 -3.161 -8.653 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.445 -2.656 -6.610 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.697 -3.885 -7.833 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.051 -1.276 -7.521 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.560 -2.674 -8.448 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.394 -0.264 -9.478 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.795 -1.707 -10.389 1.00 0.00 H new ATOM 285 N ALA A 19 1.010 -0.183 -7.369 1.00 0.00 N ATOM 286 CA ALA A 19 0.313 0.830 -6.598 1.00 0.00 C ATOM 287 C ALA A 19 -1.160 0.858 -7.011 1.00 0.00 C ATOM 288 O ALA A 19 -2.028 1.196 -6.208 1.00 0.00 O ATOM 289 CB ALA A 19 0.998 2.184 -6.795 1.00 0.00 C ATOM 0 H ALA A 19 1.932 0.096 -7.705 1.00 0.00 H new ATOM 0 HA ALA A 19 0.353 0.595 -5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.474 2.944 -6.216 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.033 2.121 -6.459 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.976 2.453 -7.851 1.00 0.00 H new ATOM 295 N THR A 20 -1.396 0.496 -8.264 1.00 0.00 N ATOM 296 CA THR A 20 -2.749 0.475 -8.794 1.00 0.00 C ATOM 297 C THR A 20 -3.556 -0.655 -8.152 1.00 0.00 C ATOM 298 O THR A 20 -4.606 -0.414 -7.560 1.00 0.00 O ATOM 299 CB THR A 20 -2.657 0.365 -10.317 1.00 0.00 C ATOM 300 OG1 THR A 20 -2.768 1.713 -10.769 1.00 0.00 O ATOM 301 CG2 THR A 20 -3.874 -0.332 -10.928 1.00 0.00 C ATOM 0 H THR A 20 -0.674 0.215 -8.927 1.00 0.00 H new ATOM 0 HA THR A 20 -3.284 1.393 -8.550 1.00 0.00 H new ATOM 0 HB THR A 20 -1.752 -0.179 -10.588 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.875 2.068 -10.961 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.758 -0.384 -12.011 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.957 -1.341 -10.523 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.775 0.231 -10.686 1.00 0.00 H new ATOM 309 N MET A 21 -3.032 -1.864 -8.288 1.00 0.00 N ATOM 310 CA MET A 21 -3.691 -3.032 -7.729 1.00 0.00 C ATOM 311 C MET A 21 -3.918 -2.866 -6.225 1.00 0.00 C ATOM 312 O MET A 21 -5.024 -3.079 -5.733 1.00 0.00 O ATOM 313 CB MET A 21 -2.832 -4.273 -7.981 1.00 0.00 C ATOM 314 CG MET A 21 -2.678 -4.538 -9.480 1.00 0.00 C ATOM 315 SD MET A 21 -2.214 -6.239 -9.755 1.00 0.00 S ATOM 316 CE MET A 21 -3.818 -6.949 -10.082 1.00 0.00 C ATOM 0 H MET A 21 -2.159 -2.060 -8.777 1.00 0.00 H new ATOM 0 HA MET A 21 -4.661 -3.145 -8.214 1.00 0.00 H new ATOM 0 HB2 MET A 21 -1.849 -4.137 -7.529 1.00 0.00 H new ATOM 0 HB3 MET A 21 -3.287 -5.139 -7.500 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.614 -4.320 -9.994 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.922 -3.874 -9.899 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.711 -8.016 -10.276 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.465 -6.801 -9.217 1.00 0.00 H new ATOM 0 HE3 MET A 21 -4.260 -6.464 -10.953 1.00 0.00 H new ATOM 326 N LEU A 22 -2.852 -2.485 -5.536 1.00 0.00 N ATOM 327 CA LEU A 22 -2.920 -2.286 -4.098 1.00 0.00 C ATOM 328 C LEU A 22 -3.992 -1.241 -3.783 1.00 0.00 C ATOM 329 O LEU A 22 -4.852 -1.467 -2.933 1.00 0.00 O ATOM 330 CB LEU A 22 -1.539 -1.940 -3.539 1.00 0.00 C ATOM 331 CG LEU A 22 -1.015 -2.856 -2.432 1.00 0.00 C ATOM 332 CD1 LEU A 22 -0.177 -3.996 -3.014 1.00 0.00 C ATOM 333 CD2 LEU A 22 -0.243 -2.058 -1.379 1.00 0.00 C ATOM 0 H LEU A 22 -1.936 -2.309 -5.948 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.217 -3.208 -3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.823 -1.950 -4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.569 -0.920 -3.155 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.870 -3.308 -1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.183 -4.632 -2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.789 -4.587 -3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.673 -3.582 -3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.119 -2.733 -0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.604 -1.559 -1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.901 -1.312 -0.933 1.00 0.00 H new ATOM 345 N VAL A 23 -3.905 -0.121 -4.484 1.00 0.00 N ATOM 346 CA VAL A 23 -4.856 0.960 -4.289 1.00 0.00 C ATOM 347 C VAL A 23 -6.257 0.475 -4.668 1.00 0.00 C ATOM 348 O VAL A 23 -7.227 0.762 -3.970 1.00 0.00 O ATOM 349 CB VAL A 23 -4.416 2.194 -5.079 1.00 0.00 C ATOM 350 CG1 VAL A 23 -5.616 3.074 -5.435 1.00 0.00 C ATOM 351 CG2 VAL A 23 -3.360 2.991 -4.309 1.00 0.00 C ATOM 0 H VAL A 23 -3.190 0.062 -5.188 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.887 1.257 -3.241 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.964 1.852 -6.010 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.275 3.944 -5.996 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.319 2.503 -6.042 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.110 3.403 -4.521 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.065 3.863 -4.893 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.774 3.317 -3.355 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.488 2.362 -4.130 1.00 0.00 H new ATOM 361 N GLN A 24 -6.317 -0.251 -5.775 1.00 0.00 N ATOM 362 CA GLN A 24 -7.582 -0.778 -6.256 1.00 0.00 C ATOM 363 C GLN A 24 -8.182 -1.740 -5.229 1.00 0.00 C ATOM 364 O GLN A 24 -9.262 -1.492 -4.698 1.00 0.00 O ATOM 365 CB GLN A 24 -7.410 -1.462 -7.615 1.00 0.00 C ATOM 366 CG GLN A 24 -8.682 -1.337 -8.456 1.00 0.00 C ATOM 367 CD GLN A 24 -8.565 -2.147 -9.749 1.00 0.00 C ATOM 368 OE1 GLN A 24 -9.281 -3.109 -9.977 1.00 0.00 O ATOM 369 NE2 GLN A 24 -7.624 -1.707 -10.579 1.00 0.00 N ATOM 0 H GLN A 24 -5.510 -0.486 -6.352 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.273 0.055 -6.390 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.572 -1.014 -8.148 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.169 -2.515 -7.468 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.539 -1.686 -7.880 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.864 -0.289 -8.694 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.060 -0.896 -10.326 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.466 -2.181 -11.468 1.00 0.00 H new ATOM 378 N THR A 25 -7.454 -2.819 -4.981 1.00 0.00 N ATOM 379 CA THR A 25 -7.900 -3.819 -4.027 1.00 0.00 C ATOM 380 C THR A 25 -8.189 -3.172 -2.671 1.00 0.00 C ATOM 381 O THR A 25 -8.983 -3.691 -1.889 1.00 0.00 O ATOM 382 CB THR A 25 -6.836 -4.917 -3.961 1.00 0.00 C ATOM 383 OG1 THR A 25 -7.415 -6.005 -4.675 1.00 0.00 O ATOM 384 CG2 THR A 25 -6.644 -5.462 -2.545 1.00 0.00 C ATOM 0 H THR A 25 -6.558 -3.022 -5.425 1.00 0.00 H new ATOM 0 HA THR A 25 -8.839 -4.274 -4.342 1.00 0.00 H new ATOM 0 HB THR A 25 -5.888 -4.526 -4.331 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.791 -6.760 -4.683 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.879 -6.238 -2.554 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.333 -4.654 -1.883 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.583 -5.883 -2.187 1.00 0.00 H new ATOM 392 N ALA A 26 -7.530 -2.047 -2.436 1.00 0.00 N ATOM 393 CA ALA A 26 -7.707 -1.323 -1.188 1.00 0.00 C ATOM 394 C ALA A 26 -9.126 -0.758 -1.128 1.00 0.00 C ATOM 395 O ALA A 26 -9.866 -1.024 -0.181 1.00 0.00 O ATOM 396 CB ALA A 26 -6.640 -0.233 -1.075 1.00 0.00 C ATOM 0 H ALA A 26 -6.873 -1.619 -3.088 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.582 -1.991 -0.336 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.772 0.310 -0.139 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.650 -0.689 -1.093 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.736 0.458 -1.912 1.00 0.00 H new ATOM 402 N SER A 27 -9.467 0.012 -2.152 1.00 0.00 N ATOM 403 CA SER A 27 -10.786 0.617 -2.228 1.00 0.00 C ATOM 404 C SER A 27 -11.824 -0.438 -2.619 1.00 0.00 C ATOM 405 O SER A 27 -12.931 -0.452 -2.084 1.00 0.00 O ATOM 406 CB SER A 27 -10.804 1.775 -3.227 1.00 0.00 C ATOM 407 OG SER A 27 -11.106 1.336 -4.548 1.00 0.00 O ATOM 0 H SER A 27 -8.852 0.231 -2.936 1.00 0.00 H new ATOM 0 HA SER A 27 -11.036 1.017 -1.245 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.542 2.513 -2.913 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.834 2.272 -3.223 1.00 0.00 H new ATOM 0 HG SER A 27 -11.109 2.105 -5.156 1.00 0.00 H new ATOM 413 N LYS A 28 -11.427 -1.295 -3.548 1.00 0.00 N ATOM 414 CA LYS A 28 -12.310 -2.350 -4.016 1.00 0.00 C ATOM 415 C LYS A 28 -13.203 -2.812 -2.864 1.00 0.00 C ATOM 416 O LYS A 28 -14.372 -3.135 -3.070 1.00 0.00 O ATOM 417 CB LYS A 28 -11.500 -3.480 -4.658 1.00 0.00 C ATOM 418 CG LYS A 28 -10.920 -3.042 -6.005 1.00 0.00 C ATOM 419 CD LYS A 28 -11.869 -3.399 -7.152 1.00 0.00 C ATOM 420 CE LYS A 28 -11.897 -4.910 -7.390 1.00 0.00 C ATOM 421 NZ LYS A 28 -10.555 -5.495 -7.169 1.00 0.00 N ATOM 0 H LYS A 28 -10.507 -1.281 -3.989 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.969 -1.975 -4.799 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.692 -3.778 -3.990 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.136 -4.354 -4.799 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.742 -1.967 -5.996 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.955 -3.523 -6.163 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.874 -3.045 -6.921 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.553 -2.890 -8.062 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.618 -5.376 -6.719 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.228 -5.118 -8.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.518 -6.447 -7.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.835 -4.892 -7.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.367 -5.558 -6.148 1.00 0.00 H new ATOM 435 N PHE A 29 -12.618 -2.829 -1.675 1.00 0.00 N ATOM 436 CA PHE A 29 -13.347 -3.245 -0.489 1.00 0.00 C ATOM 437 C PHE A 29 -14.307 -2.149 -0.021 1.00 0.00 C ATOM 438 O PHE A 29 -15.411 -2.019 -0.547 1.00 0.00 O ATOM 439 CB PHE A 29 -12.310 -3.501 0.606 1.00 0.00 C ATOM 440 CG PHE A 29 -11.473 -4.763 0.390 1.00 0.00 C ATOM 441 CD1 PHE A 29 -12.065 -5.987 0.425 1.00 0.00 C ATOM 442 CD2 PHE A 29 -10.136 -4.661 0.161 1.00 0.00 C ATOM 443 CE1 PHE A 29 -11.288 -7.158 0.223 1.00 0.00 C ATOM 444 CE2 PHE A 29 -9.359 -5.832 -0.041 1.00 0.00 C ATOM 445 CZ PHE A 29 -9.952 -7.056 -0.006 1.00 0.00 C ATOM 0 H PHE A 29 -11.648 -2.562 -1.508 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.936 -4.136 -0.708 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -11.643 -2.641 0.668 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -12.822 -3.577 1.566 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.127 -6.068 0.607 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.666 -3.689 0.133 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.758 -8.130 0.251 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.297 -5.751 -0.222 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.361 -7.947 -0.160 1.00 0.00 H new ATOM 455 N ASP A 30 -13.850 -1.388 0.962 1.00 0.00 N ATOM 456 CA ASP A 30 -14.654 -0.307 1.507 1.00 0.00 C ATOM 457 C ASP A 30 -13.864 0.407 2.606 1.00 0.00 C ATOM 458 O ASP A 30 -13.745 1.631 2.595 1.00 0.00 O ATOM 459 CB ASP A 30 -15.948 -0.840 2.126 1.00 0.00 C ATOM 460 CG ASP A 30 -16.762 0.191 2.910 1.00 0.00 C ATOM 461 OD1 ASP A 30 -16.857 1.362 2.518 1.00 0.00 O ATOM 462 OD2 ASP A 30 -17.322 -0.259 3.982 1.00 0.00 O ATOM 0 H ASP A 30 -12.933 -1.498 1.395 1.00 0.00 H new ATOM 0 HA ASP A 30 -14.898 0.375 0.692 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -16.573 -1.246 1.331 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -15.701 -1.668 2.791 1.00 0.00 H new ATOM 468 N SER A 31 -13.344 -0.389 3.529 1.00 0.00 N ATOM 469 CA SER A 31 -12.569 0.151 4.632 1.00 0.00 C ATOM 470 C SER A 31 -11.707 1.317 4.145 1.00 0.00 C ATOM 471 O SER A 31 -11.321 1.363 2.977 1.00 0.00 O ATOM 472 CB SER A 31 -11.690 -0.928 5.269 1.00 0.00 C ATOM 473 OG SER A 31 -11.901 -2.207 4.676 1.00 0.00 O ATOM 0 H SER A 31 -13.445 -1.404 3.535 1.00 0.00 H new ATOM 0 HA SER A 31 -13.262 0.512 5.392 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.641 -0.649 5.166 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.901 -0.984 6.337 1.00 0.00 H new ATOM 0 HG SER A 31 -11.541 -2.208 3.764 1.00 0.00 H new ATOM 479 N ASP A 32 -11.431 2.232 5.063 1.00 0.00 N ATOM 480 CA ASP A 32 -10.622 3.395 4.742 1.00 0.00 C ATOM 481 C ASP A 32 -9.144 3.053 4.940 1.00 0.00 C ATOM 482 O ASP A 32 -8.548 3.422 5.951 1.00 0.00 O ATOM 483 CB ASP A 32 -10.962 4.573 5.657 1.00 0.00 C ATOM 484 CG ASP A 32 -10.325 5.906 5.258 1.00 0.00 C ATOM 485 OD1 ASP A 32 -9.095 6.019 5.146 1.00 0.00 O ATOM 486 OD2 ASP A 32 -11.160 6.870 5.057 1.00 0.00 O ATOM 0 H ASP A 32 -11.754 2.191 6.030 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.826 3.672 3.708 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.045 4.697 5.678 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.649 4.327 6.672 1.00 0.00 H new ATOM 492 N ILE A 33 -8.594 2.352 3.959 1.00 0.00 N ATOM 493 CA ILE A 33 -7.198 1.956 4.014 1.00 0.00 C ATOM 494 C ILE A 33 -6.319 3.148 3.628 1.00 0.00 C ATOM 495 O ILE A 33 -6.707 3.968 2.798 1.00 0.00 O ATOM 496 CB ILE A 33 -6.959 0.714 3.153 1.00 0.00 C ATOM 497 CG1 ILE A 33 -7.903 -0.422 3.556 1.00 0.00 C ATOM 498 CG2 ILE A 33 -5.491 0.284 3.206 1.00 0.00 C ATOM 499 CD1 ILE A 33 -8.718 -0.908 2.356 1.00 0.00 C ATOM 0 H ILE A 33 -9.091 2.048 3.121 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.923 1.671 5.029 1.00 0.00 H new ATOM 0 HB ILE A 33 -7.183 0.968 2.117 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.326 -1.250 3.968 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.576 -0.079 4.342 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.348 -0.601 2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.861 1.093 2.835 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.216 0.053 4.235 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.381 -1.715 2.669 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.312 -0.083 1.961 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.043 -1.272 1.581 1.00 0.00 H new ATOM 511 N GLN A 34 -5.150 3.206 4.251 1.00 0.00 N ATOM 512 CA GLN A 34 -4.213 4.284 3.984 1.00 0.00 C ATOM 513 C GLN A 34 -2.803 3.724 3.787 1.00 0.00 C ATOM 514 O GLN A 34 -2.438 2.720 4.397 1.00 0.00 O ATOM 515 CB GLN A 34 -4.239 5.323 5.106 1.00 0.00 C ATOM 516 CG GLN A 34 -2.853 5.487 5.735 1.00 0.00 C ATOM 517 CD GLN A 34 -2.837 6.645 6.734 1.00 0.00 C ATOM 518 OE1 GLN A 34 -3.162 7.821 6.203 1.00 0.00 O flip ATOM 519 NE2 GLN A 34 -2.549 6.483 7.908 1.00 0.00 N flip ATOM 0 H GLN A 34 -4.831 2.524 4.939 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.516 4.784 3.064 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.579 6.281 4.712 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.955 5.021 5.870 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.567 4.564 6.239 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.114 5.666 4.954 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.309 5.553 8.251 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.548 7.278 8.547 1.00 0.00 H new ATOM 528 N LEU A 35 -2.047 4.399 2.933 1.00 0.00 N ATOM 529 CA LEU A 35 -0.684 3.982 2.647 1.00 0.00 C ATOM 530 C LEU A 35 0.282 4.769 3.536 1.00 0.00 C ATOM 531 O LEU A 35 0.104 5.968 3.741 1.00 0.00 O ATOM 532 CB LEU A 35 -0.387 4.108 1.153 1.00 0.00 C ATOM 533 CG LEU A 35 0.540 3.044 0.561 1.00 0.00 C ATOM 534 CD1 LEU A 35 1.229 3.560 -0.704 1.00 0.00 C ATOM 535 CD2 LEU A 35 1.547 2.554 1.602 1.00 0.00 C ATOM 0 H LEU A 35 -2.352 5.232 2.430 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.550 2.927 2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.332 4.080 0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.055 5.088 0.972 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.066 2.186 0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.882 2.785 -1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.476 3.820 -1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.820 4.443 -0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.194 1.799 1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.152 3.393 1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.014 2.121 2.448 1.00 0.00 H new ATOM 547 N GLU A 36 1.283 4.062 4.038 1.00 0.00 N ATOM 548 CA GLU A 36 2.277 4.678 4.899 1.00 0.00 C ATOM 549 C GLU A 36 3.680 4.207 4.513 1.00 0.00 C ATOM 550 O GLU A 36 3.851 3.091 4.023 1.00 0.00 O ATOM 551 CB GLU A 36 1.986 4.385 6.372 1.00 0.00 C ATOM 552 CG GLU A 36 3.172 4.776 7.255 1.00 0.00 C ATOM 553 CD GLU A 36 2.942 4.346 8.705 1.00 0.00 C ATOM 554 OE1 GLU A 36 2.906 3.141 8.996 1.00 0.00 O ATOM 555 OE2 GLU A 36 2.799 5.314 9.545 1.00 0.00 O ATOM 0 H GLU A 36 1.427 3.067 3.865 1.00 0.00 H new ATOM 0 HA GLU A 36 2.227 5.758 4.761 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.098 4.933 6.687 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.768 3.325 6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.082 4.312 6.874 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.322 5.855 7.211 1.00 0.00 H new ATOM 563 N TYR A 37 4.649 5.080 4.748 1.00 0.00 N ATOM 564 CA TYR A 37 6.033 4.766 4.431 1.00 0.00 C ATOM 565 C TYR A 37 6.992 5.612 5.270 1.00 0.00 C ATOM 566 O TYR A 37 7.118 6.816 5.050 1.00 0.00 O ATOM 567 CB TYR A 37 6.216 5.119 2.954 1.00 0.00 C ATOM 568 CG TYR A 37 7.657 4.980 2.457 1.00 0.00 C ATOM 569 CD1 TYR A 37 8.430 3.914 2.872 1.00 0.00 C ATOM 570 CD2 TYR A 37 8.183 5.918 1.593 1.00 0.00 C ATOM 571 CE1 TYR A 37 9.786 3.782 2.402 1.00 0.00 C ATOM 572 CE2 TYR A 37 9.538 5.787 1.124 1.00 0.00 C ATOM 573 CZ TYR A 37 10.272 4.726 1.552 1.00 0.00 C ATOM 574 OH TYR A 37 11.553 4.601 1.110 1.00 0.00 O ATOM 0 H TYR A 37 4.504 6.004 5.154 1.00 0.00 H new ATOM 0 HA TYR A 37 6.248 3.718 4.640 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.572 4.476 2.354 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.883 6.144 2.792 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.019 3.179 3.548 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.578 6.751 1.268 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.402 2.953 2.717 1.00 0.00 H new ATOM 0 HE2 TYR A 37 9.961 6.515 0.448 1.00 0.00 H new ATOM 0 HH TYR A 37 11.576 4.714 0.137 1.00 0.00 H new ATOM 584 N ASN A 38 7.645 4.949 6.213 1.00 0.00 N ATOM 585 CA ASN A 38 8.590 5.626 7.086 1.00 0.00 C ATOM 586 C ASN A 38 7.932 6.875 7.672 1.00 0.00 C ATOM 587 O ASN A 38 8.497 7.966 7.609 1.00 0.00 O ATOM 588 CB ASN A 38 9.836 6.065 6.313 1.00 0.00 C ATOM 589 CG ASN A 38 9.466 7.011 5.169 1.00 0.00 C ATOM 590 OD1 ASN A 38 9.661 6.498 3.958 1.00 0.00 O flip ATOM 591 ND2 ASN A 38 9.032 8.133 5.373 1.00 0.00 N flip ATOM 0 H ASN A 38 7.539 3.950 6.392 1.00 0.00 H new ATOM 0 HA ASN A 38 8.880 4.930 7.873 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.532 6.561 6.989 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.348 5.189 5.914 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.906 8.465 6.329 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.795 8.739 4.587 1.00 0.00 H new ATOM 598 N GLY A 39 6.747 6.676 8.228 1.00 0.00 N ATOM 599 CA GLY A 39 6.006 7.774 8.825 1.00 0.00 C ATOM 600 C GLY A 39 5.325 8.624 7.752 1.00 0.00 C ATOM 601 O GLY A 39 4.684 9.627 8.062 1.00 0.00 O ATOM 0 H GLY A 39 6.281 5.770 8.278 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.257 7.381 9.512 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.681 8.396 9.412 1.00 0.00 H new ATOM 605 N LYS A 40 5.488 8.193 6.509 1.00 0.00 N ATOM 606 CA LYS A 40 4.897 8.902 5.387 1.00 0.00 C ATOM 607 C LYS A 40 3.577 8.232 5.003 1.00 0.00 C ATOM 608 O LYS A 40 3.554 7.337 4.159 1.00 0.00 O ATOM 609 CB LYS A 40 5.895 9.004 4.231 1.00 0.00 C ATOM 610 CG LYS A 40 6.085 10.458 3.797 1.00 0.00 C ATOM 611 CD LYS A 40 7.154 11.149 4.647 1.00 0.00 C ATOM 612 CE LYS A 40 7.399 12.579 4.161 1.00 0.00 C ATOM 613 NZ LYS A 40 7.614 13.487 5.311 1.00 0.00 N ATOM 0 H LYS A 40 6.021 7.361 6.255 1.00 0.00 H new ATOM 0 HA LYS A 40 4.663 9.929 5.667 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.853 8.583 4.535 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.541 8.412 3.387 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.372 10.493 2.746 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.141 10.995 3.887 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.840 11.164 5.691 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.083 10.581 4.602 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.268 12.602 3.504 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.547 12.921 3.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.779 14.453 4.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.773 13.477 5.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.441 13.169 5.855 1.00 0.00 H new ATOM 627 N LYS A 41 2.509 8.690 5.640 1.00 0.00 N ATOM 628 CA LYS A 41 1.188 8.145 5.375 1.00 0.00 C ATOM 629 C LYS A 41 0.541 8.925 4.230 1.00 0.00 C ATOM 630 O LYS A 41 0.781 10.122 4.074 1.00 0.00 O ATOM 631 CB LYS A 41 0.352 8.123 6.655 1.00 0.00 C ATOM 632 CG LYS A 41 1.109 7.435 7.794 1.00 0.00 C ATOM 633 CD LYS A 41 2.059 8.413 8.489 1.00 0.00 C ATOM 634 CE LYS A 41 1.820 8.430 10.000 1.00 0.00 C ATOM 635 NZ LYS A 41 2.768 7.523 10.684 1.00 0.00 N ATOM 0 H LYS A 41 2.532 9.432 6.339 1.00 0.00 H new ATOM 0 HA LYS A 41 1.261 7.106 5.052 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.099 9.143 6.946 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.587 7.602 6.471 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.399 7.035 8.518 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.674 6.590 7.402 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.092 8.130 8.284 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.916 9.415 8.083 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.938 9.444 10.382 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.796 8.125 10.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.326 7.146 11.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.016 6.737 10.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.629 8.048 10.937 1.00 0.00 H new ATOM 649 N VAL A 42 -0.271 8.216 3.458 1.00 0.00 N ATOM 650 CA VAL A 42 -0.955 8.827 2.331 1.00 0.00 C ATOM 651 C VAL A 42 -2.281 8.102 2.093 1.00 0.00 C ATOM 652 O VAL A 42 -2.736 7.338 2.941 1.00 0.00 O ATOM 653 CB VAL A 42 -0.044 8.827 1.102 1.00 0.00 C ATOM 654 CG1 VAL A 42 1.430 8.809 1.512 1.00 0.00 C ATOM 655 CG2 VAL A 42 -0.371 7.652 0.177 1.00 0.00 C ATOM 0 H VAL A 42 -0.470 7.225 3.591 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.188 9.870 2.545 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.226 9.749 0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.056 8.809 0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.652 9.692 2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.634 7.913 2.098 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.291 7.675 -0.689 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.231 6.715 0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.406 7.728 -0.156 1.00 0.00 H new ATOM 665 N ASN A 43 -2.864 8.370 0.933 1.00 0.00 N ATOM 666 CA ASN A 43 -4.129 7.752 0.572 1.00 0.00 C ATOM 667 C ASN A 43 -3.861 6.505 -0.273 1.00 0.00 C ATOM 668 O ASN A 43 -3.310 6.600 -1.369 1.00 0.00 O ATOM 669 CB ASN A 43 -4.991 8.707 -0.256 1.00 0.00 C ATOM 670 CG ASN A 43 -6.414 8.786 0.302 1.00 0.00 C ATOM 671 OD1 ASN A 43 -7.168 7.730 0.012 1.00 0.00 O flip ATOM 672 ND2 ASN A 43 -6.799 9.743 0.954 1.00 0.00 N flip ATOM 0 H ASN A 43 -2.484 9.006 0.232 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.654 7.497 1.492 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.541 9.700 -0.257 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.021 8.370 -1.292 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.166 10.521 1.140 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.753 9.765 1.313 1.00 0.00 H new ATOM 679 N LEU A 44 -4.262 5.365 0.269 1.00 0.00 N ATOM 680 CA LEU A 44 -4.071 4.100 -0.420 1.00 0.00 C ATOM 681 C LEU A 44 -5.134 3.954 -1.511 1.00 0.00 C ATOM 682 O LEU A 44 -5.415 2.846 -1.964 1.00 0.00 O ATOM 683 CB LEU A 44 -4.052 2.942 0.579 1.00 0.00 C ATOM 684 CG LEU A 44 -3.938 1.540 -0.021 1.00 0.00 C ATOM 685 CD1 LEU A 44 -3.151 1.568 -1.333 1.00 0.00 C ATOM 686 CD2 LEU A 44 -3.336 0.559 0.987 1.00 0.00 C ATOM 0 H LEU A 44 -4.719 5.291 1.178 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.100 4.078 -0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.216 3.092 1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.964 2.987 1.175 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.942 1.186 -0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.084 0.559 -1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.660 2.214 -2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.148 1.951 -1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.266 -0.430 0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.341 0.898 1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.972 0.510 1.871 1.00 0.00 H new ATOM 698 N LYS A 45 -5.697 5.089 -1.900 1.00 0.00 N ATOM 699 CA LYS A 45 -6.723 5.100 -2.928 1.00 0.00 C ATOM 700 C LYS A 45 -6.261 5.978 -4.093 1.00 0.00 C ATOM 701 O LYS A 45 -7.016 6.210 -5.037 1.00 0.00 O ATOM 702 CB LYS A 45 -8.070 5.523 -2.337 1.00 0.00 C ATOM 703 CG LYS A 45 -8.182 5.099 -0.871 1.00 0.00 C ATOM 704 CD LYS A 45 -9.052 3.849 -0.727 1.00 0.00 C ATOM 705 CE LYS A 45 -10.332 4.158 0.051 1.00 0.00 C ATOM 706 NZ LYS A 45 -11.270 3.015 -0.017 1.00 0.00 N ATOM 0 H LYS A 45 -5.462 6.007 -1.522 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.876 4.096 -3.324 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.183 6.604 -2.416 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.880 5.075 -2.912 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.188 4.903 -0.468 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.609 5.913 -0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.307 3.463 -1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.490 3.068 -0.215 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.089 4.375 1.091 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.807 5.050 -0.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.027 3.145 0.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.686 2.963 -0.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.758 2.133 0.185 1.00 0.00 H new ATOM 720 N SER A 46 -5.024 6.439 -3.990 1.00 0.00 N ATOM 721 CA SER A 46 -4.453 7.286 -5.024 1.00 0.00 C ATOM 722 C SER A 46 -3.049 6.796 -5.384 1.00 0.00 C ATOM 723 O SER A 46 -2.320 6.302 -4.525 1.00 0.00 O ATOM 724 CB SER A 46 -4.405 8.748 -4.574 1.00 0.00 C ATOM 725 OG SER A 46 -4.338 9.644 -5.681 1.00 0.00 O ATOM 0 H SER A 46 -4.401 6.242 -3.207 1.00 0.00 H new ATOM 0 HA SER A 46 -5.090 7.226 -5.906 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.289 8.973 -3.978 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.539 8.901 -3.930 1.00 0.00 H new ATOM 0 HG SER A 46 -4.311 10.567 -5.353 1.00 0.00 H new ATOM 731 N ILE A 47 -2.712 6.950 -6.657 1.00 0.00 N ATOM 732 CA ILE A 47 -1.408 6.529 -7.142 1.00 0.00 C ATOM 733 C ILE A 47 -0.397 7.653 -6.912 1.00 0.00 C ATOM 734 O ILE A 47 0.646 7.439 -6.295 1.00 0.00 O ATOM 735 CB ILE A 47 -1.501 6.073 -8.599 1.00 0.00 C ATOM 736 CG1 ILE A 47 -0.948 4.656 -8.766 1.00 0.00 C ATOM 737 CG2 ILE A 47 -0.810 7.071 -9.531 1.00 0.00 C ATOM 738 CD1 ILE A 47 -1.643 3.681 -7.813 1.00 0.00 C ATOM 0 H ILE A 47 -3.319 7.360 -7.367 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.054 5.663 -6.583 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.553 6.044 -8.881 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.088 4.326 -9.795 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.125 4.655 -8.574 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.891 6.723 -10.561 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.288 8.046 -9.439 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.242 7.156 -9.258 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.232 2.681 -7.952 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.481 4.000 -6.784 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.712 3.666 -8.024 1.00 0.00 H new ATOM 750 N MET A 48 -0.739 8.828 -7.421 1.00 0.00 N ATOM 751 CA MET A 48 0.127 9.986 -7.279 1.00 0.00 C ATOM 752 C MET A 48 0.816 9.991 -5.913 1.00 0.00 C ATOM 753 O MET A 48 1.940 10.473 -5.782 1.00 0.00 O ATOM 754 CB MET A 48 -0.699 11.264 -7.439 1.00 0.00 C ATOM 755 CG MET A 48 -1.020 11.528 -8.912 1.00 0.00 C ATOM 756 SD MET A 48 -0.882 13.272 -9.264 1.00 0.00 S ATOM 757 CE MET A 48 0.822 13.349 -9.789 1.00 0.00 C ATOM 0 H MET A 48 -1.604 9.003 -7.932 1.00 0.00 H new ATOM 0 HA MET A 48 0.894 9.940 -8.052 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.625 11.176 -6.871 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.150 12.110 -7.025 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.337 10.965 -9.548 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.028 11.181 -9.141 1.00 0.00 H new ATOM 0 HE1 MET A 48 1.077 14.377 -10.048 1.00 0.00 H new ATOM 0 HE2 MET A 48 1.468 13.008 -8.980 1.00 0.00 H new ATOM 0 HE3 MET A 48 0.964 12.709 -10.660 1.00 0.00 H new ATOM 767 N GLY A 49 0.112 9.452 -4.929 1.00 0.00 N ATOM 768 CA GLY A 49 0.642 9.387 -3.577 1.00 0.00 C ATOM 769 C GLY A 49 1.535 8.158 -3.395 1.00 0.00 C ATOM 770 O GLY A 49 2.691 8.280 -2.996 1.00 0.00 O ATOM 0 H GLY A 49 -0.821 9.056 -5.041 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.213 10.290 -3.363 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.180 9.352 -2.862 1.00 0.00 H new ATOM 774 N VAL A 50 0.962 7.002 -3.696 1.00 0.00 N ATOM 775 CA VAL A 50 1.692 5.751 -3.571 1.00 0.00 C ATOM 776 C VAL A 50 2.955 5.814 -4.432 1.00 0.00 C ATOM 777 O VAL A 50 3.971 5.210 -4.093 1.00 0.00 O ATOM 778 CB VAL A 50 0.780 4.576 -3.932 1.00 0.00 C ATOM 779 CG1 VAL A 50 1.547 3.254 -3.887 1.00 0.00 C ATOM 780 CG2 VAL A 50 -0.446 4.530 -3.018 1.00 0.00 C ATOM 0 H VAL A 50 0.002 6.905 -4.026 1.00 0.00 H new ATOM 0 HA VAL A 50 2.009 5.595 -2.540 1.00 0.00 H new ATOM 0 HB VAL A 50 0.430 4.726 -4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.876 2.435 -4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.372 3.288 -4.599 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.940 3.096 -2.883 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.076 3.686 -3.297 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.124 4.416 -1.983 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.012 5.455 -3.122 1.00 0.00 H new ATOM 790 N MET A 51 2.850 6.551 -5.527 1.00 0.00 N ATOM 791 CA MET A 51 3.972 6.702 -6.438 1.00 0.00 C ATOM 792 C MET A 51 5.013 7.670 -5.872 1.00 0.00 C ATOM 793 O MET A 51 6.206 7.373 -5.871 1.00 0.00 O ATOM 794 CB MET A 51 3.470 7.224 -7.785 1.00 0.00 C ATOM 795 CG MET A 51 2.481 6.242 -8.420 1.00 0.00 C ATOM 796 SD MET A 51 2.426 6.488 -10.187 1.00 0.00 S ATOM 797 CE MET A 51 4.167 6.399 -10.567 1.00 0.00 C ATOM 0 H MET A 51 2.005 7.050 -5.805 1.00 0.00 H new ATOM 0 HA MET A 51 4.442 5.727 -6.568 1.00 0.00 H new ATOM 0 HB2 MET A 51 2.989 8.192 -7.647 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.315 7.380 -8.456 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.779 5.218 -8.196 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.488 6.386 -7.993 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.302 5.956 -11.554 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.593 7.402 -10.558 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.671 5.784 -9.822 1.00 0.00 H new ATOM 807 N SER A 52 4.522 8.808 -5.403 1.00 0.00 N ATOM 808 CA SER A 52 5.395 9.821 -4.835 1.00 0.00 C ATOM 809 C SER A 52 5.850 9.397 -3.437 1.00 0.00 C ATOM 810 O SER A 52 6.518 10.159 -2.741 1.00 0.00 O ATOM 811 CB SER A 52 4.695 11.180 -4.776 1.00 0.00 C ATOM 812 OG SER A 52 4.450 11.712 -6.075 1.00 0.00 O ATOM 0 H SER A 52 3.531 9.051 -5.405 1.00 0.00 H new ATOM 0 HA SER A 52 6.269 9.920 -5.479 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.750 11.078 -4.242 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.308 11.879 -4.208 1.00 0.00 H new ATOM 0 HG SER A 52 3.549 11.460 -6.367 1.00 0.00 H new ATOM 818 N LEU A 53 5.469 8.182 -3.070 1.00 0.00 N ATOM 819 CA LEU A 53 5.828 7.647 -1.768 1.00 0.00 C ATOM 820 C LEU A 53 7.235 7.048 -1.839 1.00 0.00 C ATOM 821 O LEU A 53 7.688 6.405 -0.892 1.00 0.00 O ATOM 822 CB LEU A 53 4.764 6.662 -1.280 1.00 0.00 C ATOM 823 CG LEU A 53 3.713 7.229 -0.325 1.00 0.00 C ATOM 824 CD1 LEU A 53 2.847 6.113 0.263 1.00 0.00 C ATOM 825 CD2 LEU A 53 4.367 8.082 0.766 1.00 0.00 C ATOM 0 H LEU A 53 4.915 7.553 -3.652 1.00 0.00 H new ATOM 0 HA LEU A 53 5.856 8.443 -1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.252 6.251 -2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.266 5.831 -0.784 1.00 0.00 H new ATOM 0 HG LEU A 53 3.052 7.883 -0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.108 6.544 0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.338 5.585 -0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.478 5.414 0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.598 8.473 1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.064 7.470 1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.905 8.911 0.306 1.00 0.00 H new ATOM 837 N GLY A 54 7.886 7.280 -2.968 1.00 0.00 N ATOM 838 CA GLY A 54 9.231 6.771 -3.175 1.00 0.00 C ATOM 839 C GLY A 54 9.409 5.404 -2.510 1.00 0.00 C ATOM 840 O GLY A 54 10.394 5.173 -1.812 1.00 0.00 O ATOM 0 H GLY A 54 7.507 7.814 -3.750 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.432 6.689 -4.243 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.957 7.475 -2.767 1.00 0.00 H new ATOM 844 N VAL A 55 8.439 4.534 -2.752 1.00 0.00 N ATOM 845 CA VAL A 55 8.475 3.197 -2.187 1.00 0.00 C ATOM 846 C VAL A 55 9.681 2.442 -2.750 1.00 0.00 C ATOM 847 O VAL A 55 9.522 1.421 -3.417 1.00 0.00 O ATOM 848 CB VAL A 55 7.147 2.483 -2.447 1.00 0.00 C ATOM 849 CG1 VAL A 55 7.082 1.154 -1.691 1.00 0.00 C ATOM 850 CG2 VAL A 55 5.962 3.378 -2.085 1.00 0.00 C ATOM 0 H VAL A 55 7.623 4.730 -3.332 1.00 0.00 H new ATOM 0 HA VAL A 55 8.597 3.243 -1.105 1.00 0.00 H new ATOM 0 HB VAL A 55 7.088 2.265 -3.513 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.128 0.667 -1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.896 0.508 -2.020 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.175 1.339 -0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.031 2.846 -2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.015 3.642 -1.029 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.994 4.285 -2.688 1.00 0.00 H new ATOM 860 N GLY A 56 10.859 2.973 -2.460 1.00 0.00 N ATOM 861 CA GLY A 56 12.092 2.363 -2.929 1.00 0.00 C ATOM 862 C GLY A 56 12.308 0.995 -2.278 1.00 0.00 C ATOM 863 O GLY A 56 11.622 0.644 -1.320 1.00 0.00 O ATOM 0 H GLY A 56 10.986 3.820 -1.906 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.058 2.253 -4.013 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.935 3.016 -2.701 1.00 0.00 H new ATOM 867 N LYS A 57 13.266 0.260 -2.824 1.00 0.00 N ATOM 868 CA LYS A 57 13.581 -1.061 -2.309 1.00 0.00 C ATOM 869 C LYS A 57 14.266 -0.922 -0.948 1.00 0.00 C ATOM 870 O LYS A 57 14.796 0.138 -0.620 1.00 0.00 O ATOM 871 CB LYS A 57 14.400 -1.853 -3.331 1.00 0.00 C ATOM 872 CG LYS A 57 14.095 -3.350 -3.235 1.00 0.00 C ATOM 873 CD LYS A 57 15.205 -4.178 -3.883 1.00 0.00 C ATOM 874 CE LYS A 57 16.514 -4.047 -3.102 1.00 0.00 C ATOM 875 NZ LYS A 57 16.808 -5.297 -2.368 1.00 0.00 N ATOM 0 H LYS A 57 13.834 0.555 -3.618 1.00 0.00 H new ATOM 0 HA LYS A 57 12.669 -1.636 -2.151 1.00 0.00 H new ATOM 0 HB2 LYS A 57 14.177 -1.496 -4.337 1.00 0.00 H new ATOM 0 HB3 LYS A 57 15.463 -1.683 -3.161 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.986 -3.636 -2.189 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.145 -3.563 -3.724 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.905 -5.225 -3.924 1.00 0.00 H new ATOM 0 HD3 LYS A 57 15.356 -3.849 -4.911 1.00 0.00 H new ATOM 0 HE2 LYS A 57 17.331 -3.820 -3.786 1.00 0.00 H new ATOM 0 HE3 LYS A 57 16.444 -3.215 -2.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 17.700 -5.190 -1.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 16.036 -5.498 -1.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 16.895 -6.083 -3.043 1.00 0.00 H new ATOM 889 N ASP A 58 14.233 -2.009 -0.190 1.00 0.00 N ATOM 890 CA ASP A 58 14.843 -2.022 1.127 1.00 0.00 C ATOM 891 C ASP A 58 14.113 -1.029 2.033 1.00 0.00 C ATOM 892 O ASP A 58 14.525 -0.797 3.168 1.00 0.00 O ATOM 893 CB ASP A 58 16.314 -1.604 1.057 1.00 0.00 C ATOM 894 CG ASP A 58 16.926 -1.168 2.390 1.00 0.00 C ATOM 895 OD1 ASP A 58 17.205 0.020 2.607 1.00 0.00 O ATOM 896 OD2 ASP A 58 17.119 -2.120 3.239 1.00 0.00 O ATOM 0 H ASP A 58 13.793 -2.887 -0.464 1.00 0.00 H new ATOM 0 HA ASP A 58 14.774 -3.036 1.520 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.895 -2.438 0.663 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.410 -0.784 0.345 1.00 0.00 H new ATOM 902 N ALA A 59 13.038 -0.469 1.497 1.00 0.00 N ATOM 903 CA ALA A 59 12.245 0.494 2.243 1.00 0.00 C ATOM 904 C ALA A 59 11.022 -0.209 2.836 1.00 0.00 C ATOM 905 O ALA A 59 10.391 -1.030 2.172 1.00 0.00 O ATOM 906 CB ALA A 59 11.861 1.658 1.328 1.00 0.00 C ATOM 0 H ALA A 59 12.698 -0.664 0.555 1.00 0.00 H new ATOM 0 HA ALA A 59 12.822 0.907 3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.266 2.380 1.888 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.764 2.142 0.957 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.278 1.283 0.487 1.00 0.00 H new ATOM 912 N GLU A 60 10.723 0.140 4.078 1.00 0.00 N ATOM 913 CA GLU A 60 9.586 -0.448 4.768 1.00 0.00 C ATOM 914 C GLU A 60 8.367 0.469 4.656 1.00 0.00 C ATOM 915 O GLU A 60 8.419 1.632 5.057 1.00 0.00 O ATOM 916 CB GLU A 60 9.922 -0.736 6.232 1.00 0.00 C ATOM 917 CG GLU A 60 11.173 -1.610 6.345 1.00 0.00 C ATOM 918 CD GLU A 60 11.723 -1.599 7.773 1.00 0.00 C ATOM 919 OE1 GLU A 60 10.999 -1.240 8.713 1.00 0.00 O ATOM 920 OE2 GLU A 60 12.949 -1.983 7.889 1.00 0.00 O ATOM 0 H GLU A 60 11.248 0.822 4.625 1.00 0.00 H new ATOM 0 HA GLU A 60 9.348 -1.399 4.291 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.080 0.202 6.764 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.080 -1.236 6.711 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.934 -2.632 6.051 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.936 -1.250 5.655 1.00 0.00 H new ATOM 928 N ILE A 61 7.296 -0.088 4.109 1.00 0.00 N ATOM 929 CA ILE A 61 6.065 0.666 3.940 1.00 0.00 C ATOM 930 C ILE A 61 4.996 0.105 4.880 1.00 0.00 C ATOM 931 O ILE A 61 5.217 -0.906 5.544 1.00 0.00 O ATOM 932 CB ILE A 61 5.644 0.680 2.469 1.00 0.00 C ATOM 933 CG1 ILE A 61 5.702 -0.725 1.868 1.00 0.00 C ATOM 934 CG2 ILE A 61 6.481 1.681 1.669 1.00 0.00 C ATOM 935 CD1 ILE A 61 4.595 -0.925 0.831 1.00 0.00 C ATOM 0 H ILE A 61 7.255 -1.052 3.777 1.00 0.00 H new ATOM 0 HA ILE A 61 6.216 1.710 4.215 1.00 0.00 H new ATOM 0 HB ILE A 61 4.607 1.010 2.414 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.674 -0.885 1.402 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.602 -1.467 2.660 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.162 1.671 0.627 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.344 2.681 2.081 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.534 1.405 1.729 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.659 -1.932 0.420 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.623 -0.788 1.305 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.713 -0.197 0.028 1.00 0.00 H new ATOM 947 N THR A 62 3.859 0.786 4.905 1.00 0.00 N ATOM 948 CA THR A 62 2.756 0.369 5.753 1.00 0.00 C ATOM 949 C THR A 62 1.422 0.813 5.148 1.00 0.00 C ATOM 950 O THR A 62 1.375 1.761 4.367 1.00 0.00 O ATOM 951 CB THR A 62 3.001 0.924 7.157 1.00 0.00 C ATOM 952 OG1 THR A 62 4.195 0.274 7.584 1.00 0.00 O ATOM 953 CG2 THR A 62 1.946 0.461 8.163 1.00 0.00 C ATOM 0 H THR A 62 3.679 1.623 4.351 1.00 0.00 H new ATOM 0 HA THR A 62 2.700 -0.717 5.824 1.00 0.00 H new ATOM 0 HB THR A 62 3.013 2.013 7.119 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.428 0.578 8.486 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.167 0.884 9.143 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.961 0.796 7.838 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.956 -0.627 8.226 1.00 0.00 H new ATOM 961 N ILE A 63 0.370 0.104 5.533 1.00 0.00 N ATOM 962 CA ILE A 63 -0.961 0.413 5.038 1.00 0.00 C ATOM 963 C ILE A 63 -1.964 0.308 6.188 1.00 0.00 C ATOM 964 O ILE A 63 -1.925 -0.642 6.968 1.00 0.00 O ATOM 965 CB ILE A 63 -1.306 -0.473 3.839 1.00 0.00 C ATOM 966 CG1 ILE A 63 -1.532 -1.922 4.275 1.00 0.00 C ATOM 967 CG2 ILE A 63 -0.237 -0.362 2.750 1.00 0.00 C ATOM 968 CD1 ILE A 63 -2.932 -2.400 3.887 1.00 0.00 C ATOM 0 H ILE A 63 0.413 -0.682 6.181 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.002 1.438 4.670 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.242 -0.117 3.409 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.783 -2.565 3.813 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.402 -2.005 5.354 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.506 -1.001 1.909 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.168 0.672 2.412 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.726 -0.677 3.152 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.066 -3.433 4.209 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.679 -1.770 4.370 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.051 -2.339 2.805 1.00 0.00 H new ATOM 980 N TYR A 64 -2.841 1.301 6.258 1.00 0.00 N ATOM 981 CA TYR A 64 -3.853 1.332 7.300 1.00 0.00 C ATOM 982 C TYR A 64 -5.234 0.997 6.733 1.00 0.00 C ATOM 983 O TYR A 64 -5.456 1.100 5.527 1.00 0.00 O ATOM 984 CB TYR A 64 -3.868 2.768 7.830 1.00 0.00 C ATOM 985 CG TYR A 64 -2.606 3.158 8.605 1.00 0.00 C ATOM 986 CD1 TYR A 64 -1.378 3.144 7.975 1.00 0.00 C ATOM 987 CD2 TYR A 64 -2.698 3.521 9.933 1.00 0.00 C ATOM 988 CE1 TYR A 64 -0.192 3.512 8.704 1.00 0.00 C ATOM 989 CE2 TYR A 64 -1.511 3.887 10.662 1.00 0.00 C ATOM 990 CZ TYR A 64 -0.317 3.864 10.011 1.00 0.00 C ATOM 991 OH TYR A 64 0.804 4.211 10.700 1.00 0.00 O ATOM 0 H TYR A 64 -2.871 2.089 5.610 1.00 0.00 H new ATOM 0 HA TYR A 64 -3.627 0.601 8.077 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.993 3.453 6.991 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.735 2.896 8.479 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.307 2.857 6.936 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.659 3.531 10.425 1.00 0.00 H new ATOM 0 HE1 TYR A 64 0.775 3.508 8.223 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.568 4.173 11.702 1.00 0.00 H new ATOM 0 HH TYR A 64 1.281 4.917 10.215 1.00 0.00 H new ATOM 1001 N ALA A 65 -6.127 0.603 7.629 1.00 0.00 N ATOM 1002 CA ALA A 65 -7.481 0.252 7.234 1.00 0.00 C ATOM 1003 C ALA A 65 -8.421 0.444 8.425 1.00 0.00 C ATOM 1004 O ALA A 65 -8.229 -0.167 9.476 1.00 0.00 O ATOM 1005 CB ALA A 65 -7.500 -1.181 6.698 1.00 0.00 C ATOM 0 H ALA A 65 -5.939 0.519 8.628 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.829 0.904 6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.515 -1.445 6.402 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.839 -1.255 5.835 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.160 -1.865 7.476 1.00 0.00 H new ATOM 1011 N ASP A 66 -9.417 1.293 8.221 1.00 0.00 N ATOM 1012 CA ASP A 66 -10.388 1.572 9.266 1.00 0.00 C ATOM 1013 C ASP A 66 -11.798 1.486 8.680 1.00 0.00 C ATOM 1014 O ASP A 66 -12.312 2.467 8.144 1.00 0.00 O ATOM 1015 CB ASP A 66 -10.196 2.980 9.835 1.00 0.00 C ATOM 1016 CG ASP A 66 -10.740 3.185 11.249 1.00 0.00 C ATOM 1017 OD1 ASP A 66 -10.707 4.300 11.791 1.00 0.00 O ATOM 1018 OD2 ASP A 66 -11.220 2.126 11.809 1.00 0.00 O ATOM 0 H ASP A 66 -9.573 1.797 7.348 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.248 0.840 10.062 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.131 3.214 9.834 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.680 3.694 9.169 1.00 0.00 H new ATOM 1024 N GLY A 67 -12.386 0.305 8.803 1.00 0.00 N ATOM 1025 CA GLY A 67 -13.727 0.079 8.293 1.00 0.00 C ATOM 1026 C GLY A 67 -14.295 -1.243 8.812 1.00 0.00 C ATOM 1027 O GLY A 67 -13.987 -1.661 9.928 1.00 0.00 O ATOM 0 H GLY A 67 -11.957 -0.506 9.249 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.377 0.901 8.593 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.708 0.068 7.203 1.00 0.00 H new ATOM 1031 N SER A 68 -15.116 -1.866 7.979 1.00 0.00 N ATOM 1032 CA SER A 68 -15.731 -3.132 8.341 1.00 0.00 C ATOM 1033 C SER A 68 -14.899 -4.293 7.790 1.00 0.00 C ATOM 1034 O SER A 68 -14.891 -5.381 8.363 1.00 0.00 O ATOM 1035 CB SER A 68 -17.167 -3.215 7.821 1.00 0.00 C ATOM 1036 OG SER A 68 -17.812 -4.419 8.226 1.00 0.00 O ATOM 0 H SER A 68 -15.370 -1.518 7.055 1.00 0.00 H new ATOM 0 HA SER A 68 -15.763 -3.199 9.428 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.735 -2.359 8.186 1.00 0.00 H new ATOM 0 HB3 SER A 68 -17.163 -3.154 6.733 1.00 0.00 H new ATOM 0 HG SER A 68 -18.727 -4.434 7.876 1.00 0.00 H new ATOM 1042 N ASP A 69 -14.220 -4.021 6.685 1.00 0.00 N ATOM 1043 CA ASP A 69 -13.388 -5.029 6.051 1.00 0.00 C ATOM 1044 C ASP A 69 -11.918 -4.620 6.170 1.00 0.00 C ATOM 1045 O ASP A 69 -11.044 -5.252 5.579 1.00 0.00 O ATOM 1046 CB ASP A 69 -13.723 -5.165 4.564 1.00 0.00 C ATOM 1047 CG ASP A 69 -15.137 -5.666 4.263 1.00 0.00 C ATOM 1048 OD1 ASP A 69 -15.778 -6.313 5.104 1.00 0.00 O ATOM 1049 OD2 ASP A 69 -15.584 -5.363 3.091 1.00 0.00 O ATOM 0 H ASP A 69 -14.229 -3.117 6.213 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.572 -5.980 6.550 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.588 -4.195 4.086 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.007 -5.848 4.107 1.00 0.00 H new ATOM 1055 N GLU A 70 -11.692 -3.564 6.937 1.00 0.00 N ATOM 1056 CA GLU A 70 -10.344 -3.062 7.140 1.00 0.00 C ATOM 1057 C GLU A 70 -9.341 -4.218 7.138 1.00 0.00 C ATOM 1058 O GLU A 70 -8.339 -4.174 6.427 1.00 0.00 O ATOM 1059 CB GLU A 70 -10.248 -2.256 8.437 1.00 0.00 C ATOM 1060 CG GLU A 70 -11.239 -2.777 9.480 1.00 0.00 C ATOM 1061 CD GLU A 70 -10.957 -2.168 10.856 1.00 0.00 C ATOM 1062 OE1 GLU A 70 -10.355 -2.830 11.714 1.00 0.00 O ATOM 1063 OE2 GLU A 70 -11.386 -0.962 11.016 1.00 0.00 O ATOM 0 H GLU A 70 -12.420 -3.042 7.425 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.099 -2.392 6.316 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.234 -2.315 8.832 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.449 -1.205 8.232 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.257 -2.535 9.173 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.173 -3.863 9.539 1.00 0.00 H new ATOM 1071 N SER A 71 -9.647 -5.226 7.942 1.00 0.00 N ATOM 1072 CA SER A 71 -8.786 -6.391 8.042 1.00 0.00 C ATOM 1073 C SER A 71 -8.738 -7.124 6.699 1.00 0.00 C ATOM 1074 O SER A 71 -7.668 -7.523 6.244 1.00 0.00 O ATOM 1075 CB SER A 71 -9.265 -7.337 9.145 1.00 0.00 C ATOM 1076 OG SER A 71 -8.364 -7.369 10.248 1.00 0.00 O ATOM 0 H SER A 71 -10.480 -5.259 8.530 1.00 0.00 H new ATOM 0 HA SER A 71 -7.783 -6.053 8.300 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.250 -7.022 9.490 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.376 -8.342 8.738 1.00 0.00 H new ATOM 0 HG SER A 71 -7.442 -7.336 9.918 1.00 0.00 H new ATOM 1082 N ASP A 72 -9.911 -7.277 6.103 1.00 0.00 N ATOM 1083 CA ASP A 72 -10.016 -7.952 4.821 1.00 0.00 C ATOM 1084 C ASP A 72 -9.198 -7.189 3.777 1.00 0.00 C ATOM 1085 O ASP A 72 -8.581 -7.794 2.902 1.00 0.00 O ATOM 1086 CB ASP A 72 -11.468 -8.000 4.341 1.00 0.00 C ATOM 1087 CG ASP A 72 -11.936 -9.365 3.831 1.00 0.00 C ATOM 1088 OD1 ASP A 72 -12.167 -9.552 2.626 1.00 0.00 O ATOM 1089 OD2 ASP A 72 -12.062 -10.272 4.739 1.00 0.00 O ATOM 0 H ASP A 72 -10.797 -6.945 6.484 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.643 -8.969 4.945 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.117 -7.694 5.162 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.596 -7.268 3.544 1.00 0.00 H new ATOM 1095 N ALA A 73 -9.220 -5.870 3.904 1.00 0.00 N ATOM 1096 CA ALA A 73 -8.488 -5.017 2.984 1.00 0.00 C ATOM 1097 C ALA A 73 -6.987 -5.163 3.244 1.00 0.00 C ATOM 1098 O ALA A 73 -6.184 -5.115 2.313 1.00 0.00 O ATOM 1099 CB ALA A 73 -8.968 -3.572 3.133 1.00 0.00 C ATOM 0 H ALA A 73 -9.734 -5.371 4.631 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.675 -5.317 1.953 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.418 -2.933 2.442 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.033 -3.517 2.908 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.795 -3.235 4.155 1.00 0.00 H new ATOM 1105 N ILE A 74 -6.653 -5.337 4.514 1.00 0.00 N ATOM 1106 CA ILE A 74 -5.263 -5.489 4.908 1.00 0.00 C ATOM 1107 C ILE A 74 -4.762 -6.867 4.471 1.00 0.00 C ATOM 1108 O ILE A 74 -3.593 -7.023 4.120 1.00 0.00 O ATOM 1109 CB ILE A 74 -5.099 -5.222 6.406 1.00 0.00 C ATOM 1110 CG1 ILE A 74 -4.067 -4.121 6.656 1.00 0.00 C ATOM 1111 CG2 ILE A 74 -4.757 -6.510 7.158 1.00 0.00 C ATOM 1112 CD1 ILE A 74 -4.661 -2.994 7.501 1.00 0.00 C ATOM 0 H ILE A 74 -7.321 -5.376 5.284 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.641 -4.748 4.405 1.00 0.00 H new ATOM 0 HB ILE A 74 -6.052 -4.865 6.796 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.198 -4.541 7.163 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.719 -3.721 5.704 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.646 -6.293 8.220 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.558 -7.236 7.018 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.824 -6.920 6.772 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.906 -2.225 7.664 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.515 -2.560 6.981 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.986 -3.392 8.462 1.00 0.00 H new ATOM 1124 N GLN A 75 -5.670 -7.831 4.507 1.00 0.00 N ATOM 1125 CA GLN A 75 -5.334 -9.190 4.118 1.00 0.00 C ATOM 1126 C GLN A 75 -5.134 -9.275 2.603 1.00 0.00 C ATOM 1127 O GLN A 75 -4.364 -10.105 2.122 1.00 0.00 O ATOM 1128 CB GLN A 75 -6.408 -10.175 4.586 1.00 0.00 C ATOM 1129 CG GLN A 75 -6.309 -10.418 6.093 1.00 0.00 C ATOM 1130 CD GLN A 75 -4.877 -10.770 6.499 1.00 0.00 C ATOM 1131 OE1 GLN A 75 -4.141 -9.720 6.852 1.00 0.00 O flip ATOM 1132 NE2 GLN A 75 -4.467 -11.919 6.494 1.00 0.00 N flip ATOM 0 H GLN A 75 -6.638 -7.698 4.800 1.00 0.00 H new ATOM 0 HA GLN A 75 -4.398 -9.466 4.604 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.396 -9.785 4.341 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.297 -11.120 4.054 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -6.635 -9.527 6.631 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -6.981 -11.227 6.379 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -5.085 -12.680 6.212 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.506 -12.119 6.772 1.00 0.00 H new ATOM 1141 N ALA A 76 -5.841 -8.407 1.896 1.00 0.00 N ATOM 1142 CA ALA A 76 -5.751 -8.373 0.446 1.00 0.00 C ATOM 1143 C ALA A 76 -4.467 -7.650 0.036 1.00 0.00 C ATOM 1144 O ALA A 76 -3.781 -8.074 -0.893 1.00 0.00 O ATOM 1145 CB ALA A 76 -7.004 -7.710 -0.129 1.00 0.00 C ATOM 0 H ALA A 76 -6.479 -7.721 2.300 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.703 -9.384 0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.936 -7.685 -1.217 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.885 -8.280 0.166 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.085 -6.692 0.253 1.00 0.00 H new ATOM 1151 N ILE A 77 -4.181 -6.570 0.749 1.00 0.00 N ATOM 1152 CA ILE A 77 -2.992 -5.783 0.469 1.00 0.00 C ATOM 1153 C ILE A 77 -1.766 -6.699 0.480 1.00 0.00 C ATOM 1154 O ILE A 77 -1.179 -6.969 -0.567 1.00 0.00 O ATOM 1155 CB ILE A 77 -2.889 -4.606 1.441 1.00 0.00 C ATOM 1156 CG1 ILE A 77 -3.503 -3.341 0.838 1.00 0.00 C ATOM 1157 CG2 ILE A 77 -1.440 -4.385 1.884 1.00 0.00 C ATOM 1158 CD1 ILE A 77 -4.864 -3.038 1.468 1.00 0.00 C ATOM 0 H ILE A 77 -4.752 -6.222 1.519 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.052 -5.341 -0.526 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.465 -4.849 2.334 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.831 -2.497 0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.616 -3.465 -0.239 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.395 -3.543 2.574 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.071 -5.282 2.381 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.821 -4.173 1.012 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.278 -2.134 1.022 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.541 -3.874 1.291 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.743 -2.890 2.541 1.00 0.00 H new ATOM 1170 N SER A 78 -1.415 -7.150 1.675 1.00 0.00 N ATOM 1171 CA SER A 78 -0.269 -8.030 1.835 1.00 0.00 C ATOM 1172 C SER A 78 -0.229 -9.050 0.695 1.00 0.00 C ATOM 1173 O SER A 78 0.847 -9.444 0.249 1.00 0.00 O ATOM 1174 CB SER A 78 -0.310 -8.746 3.186 1.00 0.00 C ATOM 1175 OG SER A 78 0.937 -8.663 3.872 1.00 0.00 O ATOM 0 H SER A 78 -1.903 -6.923 2.541 1.00 0.00 H new ATOM 0 HA SER A 78 0.636 -7.423 1.803 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.094 -8.309 3.804 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.571 -9.793 3.034 1.00 0.00 H new ATOM 0 HG SER A 78 0.939 -7.873 4.452 1.00 0.00 H new ATOM 1181 N ASP A 79 -1.415 -9.446 0.257 1.00 0.00 N ATOM 1182 CA ASP A 79 -1.528 -10.414 -0.822 1.00 0.00 C ATOM 1183 C ASP A 79 -1.083 -9.763 -2.133 1.00 0.00 C ATOM 1184 O ASP A 79 -0.260 -10.320 -2.858 1.00 0.00 O ATOM 1185 CB ASP A 79 -2.975 -10.879 -0.994 1.00 0.00 C ATOM 1186 CG ASP A 79 -3.147 -12.175 -1.790 1.00 0.00 C ATOM 1187 OD1 ASP A 79 -4.020 -12.276 -2.665 1.00 0.00 O ATOM 1188 OD2 ASP A 79 -2.329 -13.121 -1.475 1.00 0.00 O ATOM 0 H ASP A 79 -2.305 -9.115 0.629 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.900 -11.270 -0.575 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.417 -11.015 -0.007 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.539 -10.088 -1.489 1.00 0.00 H new ATOM 1194 N VAL A 80 -1.646 -8.593 -2.397 1.00 0.00 N ATOM 1195 CA VAL A 80 -1.316 -7.861 -3.609 1.00 0.00 C ATOM 1196 C VAL A 80 0.172 -7.510 -3.597 1.00 0.00 C ATOM 1197 O VAL A 80 0.834 -7.565 -4.634 1.00 0.00 O ATOM 1198 CB VAL A 80 -2.220 -6.633 -3.740 1.00 0.00 C ATOM 1199 CG1 VAL A 80 -1.801 -5.768 -4.930 1.00 0.00 C ATOM 1200 CG2 VAL A 80 -3.690 -7.043 -3.849 1.00 0.00 C ATOM 0 H VAL A 80 -2.328 -8.134 -1.793 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.497 -8.477 -4.490 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.106 -6.035 -2.836 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.460 -4.902 -5.000 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.773 -5.432 -4.792 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.871 -6.353 -5.847 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.310 -6.152 -3.941 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.828 -7.673 -4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.980 -7.597 -2.956 1.00 0.00 H new ATOM 1210 N LEU A 81 0.656 -7.156 -2.416 1.00 0.00 N ATOM 1211 CA LEU A 81 2.055 -6.796 -2.257 1.00 0.00 C ATOM 1212 C LEU A 81 2.931 -7.993 -2.629 1.00 0.00 C ATOM 1213 O LEU A 81 3.828 -7.876 -3.463 1.00 0.00 O ATOM 1214 CB LEU A 81 2.312 -6.259 -0.848 1.00 0.00 C ATOM 1215 CG LEU A 81 1.738 -4.873 -0.543 1.00 0.00 C ATOM 1216 CD1 LEU A 81 1.606 -4.655 0.966 1.00 0.00 C ATOM 1217 CD2 LEU A 81 2.571 -3.775 -1.209 1.00 0.00 C ATOM 0 H LEU A 81 0.104 -7.111 -1.559 1.00 0.00 H new ATOM 0 HA LEU A 81 2.320 -5.985 -2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.899 -6.967 -0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.389 -6.229 -0.683 1.00 0.00 H new ATOM 0 HG LEU A 81 0.735 -4.818 -0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.196 -3.663 1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.940 -5.409 1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.588 -4.737 1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.141 -2.801 -0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.595 -3.819 -0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.571 -3.923 -2.289 1.00 0.00 H new ATOM 1229 N SER A 82 2.641 -9.118 -1.992 1.00 0.00 N ATOM 1230 CA SER A 82 3.391 -10.336 -2.244 1.00 0.00 C ATOM 1231 C SER A 82 3.024 -10.902 -3.619 1.00 0.00 C ATOM 1232 O SER A 82 3.845 -11.547 -4.267 1.00 0.00 O ATOM 1233 CB SER A 82 3.132 -11.380 -1.156 1.00 0.00 C ATOM 1234 OG SER A 82 3.897 -11.126 0.019 1.00 0.00 O ATOM 0 H SER A 82 1.896 -9.211 -1.301 1.00 0.00 H new ATOM 0 HA SER A 82 4.453 -10.091 -2.229 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.072 -11.386 -0.904 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.374 -12.371 -1.539 1.00 0.00 H new ATOM 0 HG SER A 82 3.703 -11.813 0.691 1.00 0.00 H new ATOM 1240 N LYS A 83 1.790 -10.637 -4.022 1.00 0.00 N ATOM 1241 CA LYS A 83 1.304 -11.110 -5.306 1.00 0.00 C ATOM 1242 C LYS A 83 2.235 -10.612 -6.413 1.00 0.00 C ATOM 1243 O LYS A 83 2.554 -11.354 -7.341 1.00 0.00 O ATOM 1244 CB LYS A 83 -0.159 -10.712 -5.506 1.00 0.00 C ATOM 1245 CG LYS A 83 -1.100 -11.730 -4.859 1.00 0.00 C ATOM 1246 CD LYS A 83 -2.228 -12.120 -5.816 1.00 0.00 C ATOM 1247 CE LYS A 83 -3.304 -11.034 -5.866 1.00 0.00 C ATOM 1248 NZ LYS A 83 -4.427 -11.457 -6.732 1.00 0.00 N ATOM 0 H LYS A 83 1.112 -10.100 -3.481 1.00 0.00 H new ATOM 0 HA LYS A 83 1.320 -12.199 -5.342 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.333 -9.726 -5.075 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.376 -10.637 -6.571 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.538 -12.619 -4.572 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.522 -11.311 -3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.823 -12.282 -6.815 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.672 -13.063 -5.496 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.670 -10.830 -4.860 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.875 -10.106 -6.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.149 -10.708 -6.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.076 -11.630 -7.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.846 -12.331 -6.355 1.00 0.00 H new ATOM 1262 N GLU A 84 2.643 -9.359 -6.279 1.00 0.00 N ATOM 1263 CA GLU A 84 3.531 -8.753 -7.257 1.00 0.00 C ATOM 1264 C GLU A 84 4.984 -9.136 -6.965 1.00 0.00 C ATOM 1265 O GLU A 84 5.734 -9.478 -7.877 1.00 0.00 O ATOM 1266 CB GLU A 84 3.360 -7.233 -7.284 1.00 0.00 C ATOM 1267 CG GLU A 84 1.902 -6.841 -7.041 1.00 0.00 C ATOM 1268 CD GLU A 84 1.381 -5.940 -8.162 1.00 0.00 C ATOM 1269 OE1 GLU A 84 0.496 -5.104 -7.926 1.00 0.00 O ATOM 1270 OE2 GLU A 84 1.930 -6.130 -9.314 1.00 0.00 O ATOM 0 H GLU A 84 2.375 -8.747 -5.508 1.00 0.00 H new ATOM 0 HA GLU A 84 3.267 -9.134 -8.244 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.994 -6.779 -6.523 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.689 -6.843 -8.247 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.287 -7.738 -6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.815 -6.325 -6.085 1.00 0.00 H new ATOM 1278 N GLY A 85 5.336 -9.064 -5.689 1.00 0.00 N ATOM 1279 CA GLY A 85 6.684 -9.400 -5.266 1.00 0.00 C ATOM 1280 C GLY A 85 7.459 -8.144 -4.859 1.00 0.00 C ATOM 1281 O GLY A 85 8.689 -8.132 -4.890 1.00 0.00 O ATOM 0 H GLY A 85 4.711 -8.778 -4.935 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.643 -10.095 -4.427 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.207 -9.908 -6.076 1.00 0.00 H new ATOM 1285 N LEU A 86 6.707 -7.119 -4.486 1.00 0.00 N ATOM 1286 CA LEU A 86 7.308 -5.862 -4.074 1.00 0.00 C ATOM 1287 C LEU A 86 7.848 -6.003 -2.649 1.00 0.00 C ATOM 1288 O LEU A 86 8.659 -5.191 -2.206 1.00 0.00 O ATOM 1289 CB LEU A 86 6.312 -4.712 -4.242 1.00 0.00 C ATOM 1290 CG LEU A 86 5.750 -4.513 -5.651 1.00 0.00 C ATOM 1291 CD1 LEU A 86 4.322 -3.966 -5.600 1.00 0.00 C ATOM 1292 CD2 LEU A 86 6.673 -3.627 -6.490 1.00 0.00 C ATOM 0 H LEU A 86 5.687 -7.133 -4.460 1.00 0.00 H new ATOM 0 HA LEU A 86 8.155 -5.617 -4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.478 -4.877 -3.560 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.799 -3.787 -3.932 1.00 0.00 H new ATOM 0 HG LEU A 86 5.705 -5.486 -6.141 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.947 -3.834 -6.615 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.682 -4.668 -5.065 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.318 -3.006 -5.084 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.250 -3.502 -7.487 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.773 -2.652 -6.013 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.654 -4.095 -6.569 1.00 0.00 H new ATOM 1304 N THR A 87 7.376 -7.040 -1.972 1.00 0.00 N ATOM 1305 CA THR A 87 7.802 -7.298 -0.606 1.00 0.00 C ATOM 1306 C THR A 87 8.133 -8.779 -0.422 1.00 0.00 C ATOM 1307 O THR A 87 7.789 -9.606 -1.266 1.00 0.00 O ATOM 1308 CB THR A 87 6.703 -6.799 0.333 1.00 0.00 C ATOM 1309 OG1 THR A 87 5.742 -7.852 0.333 1.00 0.00 O ATOM 1310 CG2 THR A 87 5.942 -5.601 -0.237 1.00 0.00 C ATOM 0 H THR A 87 6.703 -7.711 -2.343 1.00 0.00 H new ATOM 0 HA THR A 87 8.720 -6.761 -0.369 1.00 0.00 H new ATOM 0 HB THR A 87 7.143 -6.525 1.292 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.994 -7.612 0.919 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.174 -5.288 0.470 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.635 -4.777 -0.408 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.474 -5.883 -1.180 1.00 0.00 H new ATOM 1318 N LYS A 88 8.799 -9.071 0.685 1.00 0.00 N ATOM 1319 CA LYS A 88 9.182 -10.439 0.991 1.00 0.00 C ATOM 1320 C LYS A 88 9.608 -11.145 -0.297 1.00 0.00 C ATOM 1321 O LYS A 88 8.842 -11.919 -0.869 1.00 0.00 O ATOM 1322 CB LYS A 88 8.056 -11.155 1.741 1.00 0.00 C ATOM 1323 CG LYS A 88 8.145 -10.891 3.245 1.00 0.00 C ATOM 1324 CD LYS A 88 9.000 -11.954 3.939 1.00 0.00 C ATOM 1325 CE LYS A 88 9.863 -11.332 5.039 1.00 0.00 C ATOM 1326 NZ LYS A 88 11.292 -11.367 4.656 1.00 0.00 N ATOM 0 H LYS A 88 9.084 -8.383 1.382 1.00 0.00 H new ATOM 0 HA LYS A 88 10.041 -10.453 1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.091 -10.816 1.365 1.00 0.00 H new ATOM 0 HB3 LYS A 88 8.113 -12.227 1.552 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.573 -9.904 3.420 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.144 -10.885 3.677 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.355 -12.721 4.368 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.639 -12.447 3.206 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.552 -10.302 5.215 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.717 -11.873 5.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.865 -10.941 5.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.588 -12.353 4.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.429 -10.831 3.775 1.00 0.00 H new TER 1340 LYS A 88