USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 706 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -17:sc= 0.0682 USER MOD Single : A 17 THR OG1 : rot 180:sc=0.000741 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -59:sc= 1.19 USER MOD Single : A 30 THR OG1 : rot 180:sc=-0.00897 USER MOD Single : A 31 GLN : amide:sc= -0.955 X(o=-0.96,f=-0.59) USER MOD Single : A 33 GLN : amide:sc= -1.58! K(o=-1.6!,f=-0.11) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.672 K(o=-0.67,f=-1.3) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -1.78! C(o=-1.8!,f=-3.7!) USER MOD Single : A 50 ASN : amide:sc= 0.749 K(o=0.75,f=-0.031) USER MOD Single : A 51 SER OG : rot 180:sc= -0.0745 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 73:sc= 0.267 USER MOD Single : A 64 SER OG : rot -65:sc= 0.868 USER MOD Single : A 65 GLN : amide:sc= -0.0351 X(o=-0.035,f=-0.34) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.0362 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -162:sc= 0.157 (180deg=0.0691) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 9:sc= 0.759! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.680 15.378 3.183 1.00 0.00 N ATOM 2 CA GLY A 1 15.033 15.192 4.469 1.00 0.00 C ATOM 3 C GLY A 1 14.757 16.505 5.174 1.00 0.00 C ATOM 4 O GLY A 1 15.632 17.366 5.263 1.00 0.00 O ATOM 0 H1 GLY A 1 15.847 14.451 2.741 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.069 15.950 2.566 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.588 15.866 3.319 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.095 14.656 4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.664 14.568 5.103 1.00 0.00 H new ATOM 8 N SER A 2 13.535 16.660 5.675 1.00 0.00 N ATOM 9 CA SER A 2 13.144 17.880 6.372 1.00 0.00 C ATOM 10 C SER A 2 11.748 17.740 6.970 1.00 0.00 C ATOM 11 O SER A 2 10.804 17.345 6.286 1.00 0.00 O ATOM 12 CB SER A 2 13.184 19.074 5.415 1.00 0.00 C ATOM 13 OG SER A 2 12.932 20.287 6.103 1.00 0.00 O ATOM 0 H SER A 2 12.799 15.956 5.611 1.00 0.00 H new ATOM 0 HA SER A 2 13.852 18.049 7.183 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.159 19.123 4.930 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.443 18.938 4.628 1.00 0.00 H new ATOM 0 HG SER A 2 12.965 21.035 5.470 1.00 0.00 H new ATOM 19 N SER A 3 11.625 18.068 8.252 1.00 0.00 N ATOM 20 CA SER A 3 10.345 17.975 8.945 1.00 0.00 C ATOM 21 C SER A 3 9.807 19.363 9.281 1.00 0.00 C ATOM 22 O SER A 3 10.371 20.075 10.111 1.00 0.00 O ATOM 23 CB SER A 3 10.493 17.150 10.225 1.00 0.00 C ATOM 24 OG SER A 3 9.243 16.983 10.872 1.00 0.00 O ATOM 0 H SER A 3 12.396 18.400 8.832 1.00 0.00 H new ATOM 0 HA SER A 3 9.636 17.480 8.282 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.915 16.174 9.985 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.192 17.643 10.900 1.00 0.00 H new ATOM 0 HG SER A 3 9.365 16.451 11.686 1.00 0.00 H new ATOM 30 N GLY A 4 8.712 19.741 8.629 1.00 0.00 N ATOM 31 CA GLY A 4 8.116 21.041 8.871 1.00 0.00 C ATOM 32 C GLY A 4 7.206 21.481 7.741 1.00 0.00 C ATOM 33 O GLY A 4 7.676 21.917 6.690 1.00 0.00 O ATOM 0 H GLY A 4 8.227 19.170 7.937 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.547 21.009 9.800 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.906 21.780 9.006 1.00 0.00 H new ATOM 37 N SER A 5 5.899 21.365 7.956 1.00 0.00 N ATOM 38 CA SER A 5 4.921 21.749 6.945 1.00 0.00 C ATOM 39 C SER A 5 4.052 22.901 7.440 1.00 0.00 C ATOM 40 O SER A 5 4.097 23.267 8.614 1.00 0.00 O ATOM 41 CB SER A 5 4.041 20.553 6.576 1.00 0.00 C ATOM 42 OG SER A 5 4.797 19.543 5.930 1.00 0.00 O ATOM 0 H SER A 5 5.493 21.008 8.821 1.00 0.00 H new ATOM 0 HA SER A 5 5.462 22.080 6.059 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.579 20.146 7.476 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.232 20.880 5.922 1.00 0.00 H new ATOM 0 HG SER A 5 4.212 18.789 5.706 1.00 0.00 H new ATOM 48 N SER A 6 3.261 23.468 6.535 1.00 0.00 N ATOM 49 CA SER A 6 2.383 24.582 6.877 1.00 0.00 C ATOM 50 C SER A 6 1.492 24.953 5.696 1.00 0.00 C ATOM 51 O SER A 6 1.834 24.701 4.542 1.00 0.00 O ATOM 52 CB SER A 6 3.209 25.795 7.309 1.00 0.00 C ATOM 53 OG SER A 6 2.376 26.828 7.807 1.00 0.00 O ATOM 0 H SER A 6 3.210 23.175 5.559 1.00 0.00 H new ATOM 0 HA SER A 6 1.747 24.271 7.706 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.923 25.498 8.077 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.787 26.166 6.462 1.00 0.00 H new ATOM 0 HG SER A 6 2.928 27.591 8.078 1.00 0.00 H new ATOM 59 N GLY A 7 0.344 25.555 5.995 1.00 0.00 N ATOM 60 CA GLY A 7 -0.580 25.952 4.949 1.00 0.00 C ATOM 61 C GLY A 7 -2.009 25.551 5.255 1.00 0.00 C ATOM 62 O GLY A 7 -2.261 24.446 5.735 1.00 0.00 O ATOM 0 H GLY A 7 0.038 25.775 6.943 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.530 27.033 4.815 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.273 25.499 4.006 1.00 0.00 H new ATOM 66 N SER A 8 -2.947 26.451 4.979 1.00 0.00 N ATOM 67 CA SER A 8 -4.359 26.186 5.232 1.00 0.00 C ATOM 68 C SER A 8 -5.055 25.693 3.968 1.00 0.00 C ATOM 69 O SER A 8 -4.490 25.744 2.876 1.00 0.00 O ATOM 70 CB SER A 8 -5.051 27.449 5.749 1.00 0.00 C ATOM 71 OG SER A 8 -5.214 28.402 4.713 1.00 0.00 O ATOM 0 H SER A 8 -2.755 27.370 4.580 1.00 0.00 H new ATOM 0 HA SER A 8 -4.427 25.406 5.990 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.024 27.190 6.165 1.00 0.00 H new ATOM 0 HB3 SER A 8 -4.464 27.884 6.558 1.00 0.00 H new ATOM 0 HG SER A 8 -5.660 29.199 5.069 1.00 0.00 H new ATOM 77 N GLN A 9 -6.285 25.215 4.125 1.00 0.00 N ATOM 78 CA GLN A 9 -7.059 24.711 2.997 1.00 0.00 C ATOM 79 C GLN A 9 -6.936 25.641 1.794 1.00 0.00 C ATOM 80 O GLN A 9 -7.002 26.862 1.932 1.00 0.00 O ATOM 81 CB GLN A 9 -8.529 24.555 3.388 1.00 0.00 C ATOM 82 CG GLN A 9 -9.174 25.849 3.858 1.00 0.00 C ATOM 83 CD GLN A 9 -10.674 25.721 4.039 1.00 0.00 C ATOM 84 OE1 GLN A 9 -11.149 24.895 4.818 1.00 0.00 O ATOM 85 NE2 GLN A 9 -11.429 26.541 3.317 1.00 0.00 N ATOM 0 H GLN A 9 -6.767 25.166 5.023 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.659 23.735 2.722 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.085 24.171 2.533 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -8.609 23.810 4.180 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.723 26.154 4.802 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.965 26.638 3.136 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.993 27.211 2.683 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -12.445 26.501 3.396 1.00 0.00 H new ATOM 94 N GLY A 10 -6.758 25.055 0.614 1.00 0.00 N ATOM 95 CA GLY A 10 -6.629 25.847 -0.595 1.00 0.00 C ATOM 96 C GLY A 10 -6.531 24.989 -1.841 1.00 0.00 C ATOM 97 O GLY A 10 -7.533 24.736 -2.510 1.00 0.00 O ATOM 0 H GLY A 10 -6.701 24.046 0.474 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.487 26.513 -0.683 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.743 26.477 -0.520 1.00 0.00 H new ATOM 101 N ASP A 11 -5.320 24.543 -2.156 1.00 0.00 N ATOM 102 CA ASP A 11 -5.094 23.709 -3.331 1.00 0.00 C ATOM 103 C ASP A 11 -4.806 22.267 -2.927 1.00 0.00 C ATOM 104 O ASP A 11 -4.609 21.969 -1.748 1.00 0.00 O ATOM 105 CB ASP A 11 -3.932 24.261 -4.158 1.00 0.00 C ATOM 106 CG ASP A 11 -3.980 25.771 -4.288 1.00 0.00 C ATOM 107 OD1 ASP A 11 -5.019 26.295 -4.741 1.00 0.00 O ATOM 108 OD2 ASP A 11 -2.978 26.428 -3.937 1.00 0.00 O ATOM 0 H ASP A 11 -4.480 24.745 -1.614 1.00 0.00 H new ATOM 0 HA ASP A 11 -6.001 23.724 -3.936 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.989 23.969 -3.695 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.952 23.813 -5.151 1.00 0.00 H new ATOM 113 N CYS A 12 -4.785 21.375 -3.911 1.00 0.00 N ATOM 114 CA CYS A 12 -4.524 19.962 -3.658 1.00 0.00 C ATOM 115 C CYS A 12 -3.481 19.791 -2.558 1.00 0.00 C ATOM 116 O CYS A 12 -2.629 20.657 -2.357 1.00 0.00 O ATOM 117 CB CYS A 12 -4.051 19.272 -4.938 1.00 0.00 C ATOM 118 SG CYS A 12 -5.392 18.701 -6.008 1.00 0.00 S ATOM 0 H CYS A 12 -4.946 21.605 -4.892 1.00 0.00 H new ATOM 0 HA CYS A 12 -5.454 19.499 -3.327 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.422 19.963 -5.499 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.427 18.420 -4.669 1.00 0.00 H new ATOM 0 HG CYS A 12 -4.892 18.133 -7.065 1.00 0.00 H new ATOM 124 N SER A 13 -3.555 18.669 -1.849 1.00 0.00 N ATOM 125 CA SER A 13 -2.620 18.387 -0.766 1.00 0.00 C ATOM 126 C SER A 13 -1.436 17.569 -1.270 1.00 0.00 C ATOM 127 O SER A 13 -1.605 16.610 -2.024 1.00 0.00 O ATOM 128 CB SER A 13 -3.328 17.637 0.364 1.00 0.00 C ATOM 129 OG SER A 13 -4.039 18.532 1.203 1.00 0.00 O ATOM 0 H SER A 13 -4.252 17.941 -2.005 1.00 0.00 H new ATOM 0 HA SER A 13 -2.247 19.337 -0.384 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.016 16.904 -0.057 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.596 17.085 0.953 1.00 0.00 H new ATOM 0 HG SER A 13 -4.484 18.028 1.916 1.00 0.00 H new ATOM 135 N TYR A 14 -0.236 17.953 -0.847 1.00 0.00 N ATOM 136 CA TYR A 14 0.978 17.258 -1.257 1.00 0.00 C ATOM 137 C TYR A 14 0.835 15.752 -1.062 1.00 0.00 C ATOM 138 O TYR A 14 1.120 14.968 -1.968 1.00 0.00 O ATOM 139 CB TYR A 14 2.179 17.774 -0.463 1.00 0.00 C ATOM 140 CG TYR A 14 2.221 17.276 0.964 1.00 0.00 C ATOM 141 CD1 TYR A 14 1.312 17.737 1.908 1.00 0.00 C ATOM 142 CD2 TYR A 14 3.170 16.345 1.368 1.00 0.00 C ATOM 143 CE1 TYR A 14 1.347 17.286 3.214 1.00 0.00 C ATOM 144 CE2 TYR A 14 3.211 15.887 2.670 1.00 0.00 C ATOM 145 CZ TYR A 14 2.298 16.360 3.589 1.00 0.00 C ATOM 146 OH TYR A 14 2.337 15.907 4.888 1.00 0.00 O ATOM 0 H TYR A 14 -0.079 18.742 -0.220 1.00 0.00 H new ATOM 0 HA TYR A 14 1.139 17.456 -2.317 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.096 17.474 -0.971 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.160 18.864 -0.458 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.565 18.460 1.616 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.888 15.973 0.652 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.634 17.656 3.936 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.954 15.162 2.967 1.00 0.00 H new ATOM 0 HH TYR A 14 3.065 15.258 4.986 1.00 0.00 H new ATOM 156 N SER A 15 0.391 15.355 0.126 1.00 0.00 N ATOM 157 CA SER A 15 0.213 13.942 0.443 1.00 0.00 C ATOM 158 C SER A 15 1.292 13.096 -0.224 1.00 0.00 C ATOM 159 O SER A 15 1.007 12.041 -0.792 1.00 0.00 O ATOM 160 CB SER A 15 -1.172 13.469 -0.004 1.00 0.00 C ATOM 161 OG SER A 15 -1.254 13.395 -1.417 1.00 0.00 O ATOM 0 H SER A 15 0.148 15.991 0.885 1.00 0.00 H new ATOM 0 HA SER A 15 0.299 13.823 1.523 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.382 12.490 0.427 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.932 14.153 0.372 1.00 0.00 H new ATOM 0 HG SER A 15 -0.525 13.915 -1.815 1.00 0.00 H new ATOM 167 N ARG A 16 2.533 13.565 -0.152 1.00 0.00 N ATOM 168 CA ARG A 16 3.656 12.853 -0.749 1.00 0.00 C ATOM 169 C ARG A 16 4.122 11.716 0.156 1.00 0.00 C ATOM 170 O ARG A 16 4.480 10.637 -0.318 1.00 0.00 O ATOM 171 CB ARG A 16 4.816 13.816 -1.013 1.00 0.00 C ATOM 172 CG ARG A 16 4.573 14.754 -2.184 1.00 0.00 C ATOM 173 CD ARG A 16 5.603 15.872 -2.224 1.00 0.00 C ATOM 174 NE ARG A 16 5.318 16.840 -3.280 1.00 0.00 N ATOM 175 CZ ARG A 16 6.177 17.776 -3.670 1.00 0.00 C ATOM 176 NH1 ARG A 16 7.368 17.869 -3.095 1.00 0.00 N ATOM 177 NH2 ARG A 16 5.845 18.620 -4.638 1.00 0.00 N ATOM 0 H ARG A 16 2.786 14.436 0.314 1.00 0.00 H new ATOM 0 HA ARG A 16 3.322 12.428 -1.696 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.997 14.408 -0.116 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.721 13.239 -1.202 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.609 14.191 -3.117 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.573 15.181 -2.108 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.623 16.382 -1.261 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.594 15.446 -2.380 1.00 0.00 H new ATOM 0 HE ARG A 16 4.410 16.795 -3.743 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.627 17.221 -2.351 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.025 18.588 -3.397 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.930 18.551 -5.083 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.505 19.338 -4.937 1.00 0.00 H new ATOM 191 N THR A 17 4.115 11.965 1.462 1.00 0.00 N ATOM 192 CA THR A 17 4.538 10.963 2.433 1.00 0.00 C ATOM 193 C THR A 17 3.338 10.247 3.042 1.00 0.00 C ATOM 194 O THR A 17 3.321 9.952 4.237 1.00 0.00 O ATOM 195 CB THR A 17 5.374 11.594 3.562 1.00 0.00 C ATOM 196 OG1 THR A 17 4.735 12.783 4.039 1.00 0.00 O ATOM 197 CG2 THR A 17 6.777 11.926 3.077 1.00 0.00 C ATOM 0 H THR A 17 3.821 12.852 1.872 1.00 0.00 H new ATOM 0 HA THR A 17 5.153 10.241 1.896 1.00 0.00 H new ATOM 0 HB THR A 17 5.450 10.871 4.375 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.272 13.177 4.758 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.348 12.370 3.892 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.272 11.014 2.742 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.718 12.632 2.248 1.00 0.00 H new ATOM 205 N ALA A 18 2.336 9.971 2.214 1.00 0.00 N ATOM 206 CA ALA A 18 1.133 9.288 2.672 1.00 0.00 C ATOM 207 C ALA A 18 1.293 7.774 2.581 1.00 0.00 C ATOM 208 O ALA A 18 1.214 7.069 3.587 1.00 0.00 O ATOM 209 CB ALA A 18 -0.073 9.742 1.862 1.00 0.00 C ATOM 0 H ALA A 18 2.334 10.210 1.222 1.00 0.00 H new ATOM 0 HA ALA A 18 0.974 9.549 3.718 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.964 9.224 2.215 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.207 10.817 1.981 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.088 9.511 0.809 1.00 0.00 H new ATOM 215 N LEU A 19 1.519 7.280 1.368 1.00 0.00 N ATOM 216 CA LEU A 19 1.690 5.848 1.145 1.00 0.00 C ATOM 217 C LEU A 19 2.657 5.251 2.162 1.00 0.00 C ATOM 218 O LEU A 19 2.650 4.044 2.405 1.00 0.00 O ATOM 219 CB LEU A 19 2.200 5.591 -0.273 1.00 0.00 C ATOM 220 CG LEU A 19 1.659 6.519 -1.361 1.00 0.00 C ATOM 221 CD1 LEU A 19 2.033 6.001 -2.741 1.00 0.00 C ATOM 222 CD2 LEU A 19 0.149 6.664 -1.235 1.00 0.00 C ATOM 0 H LEU A 19 1.588 7.849 0.525 1.00 0.00 H new ATOM 0 HA LEU A 19 0.720 5.367 1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.287 5.668 -0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.955 4.564 -0.545 1.00 0.00 H new ATOM 0 HG LEU A 19 2.111 7.502 -1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.639 6.675 -3.502 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.118 5.950 -2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.610 5.006 -2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.219 7.328 -2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.320 5.686 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.096 7.082 -0.259 1.00 0.00 H new ATOM 234 N TYR A 20 3.486 6.103 2.755 1.00 0.00 N ATOM 235 CA TYR A 20 4.459 5.659 3.746 1.00 0.00 C ATOM 236 C TYR A 20 3.912 5.827 5.160 1.00 0.00 C ATOM 237 O TYR A 20 4.306 5.110 6.080 1.00 0.00 O ATOM 238 CB TYR A 20 5.764 6.442 3.595 1.00 0.00 C ATOM 239 CG TYR A 20 6.315 6.437 2.187 1.00 0.00 C ATOM 240 CD1 TYR A 20 5.760 7.243 1.200 1.00 0.00 C ATOM 241 CD2 TYR A 20 7.390 5.627 1.844 1.00 0.00 C ATOM 242 CE1 TYR A 20 6.260 7.240 -0.088 1.00 0.00 C ATOM 243 CE2 TYR A 20 7.897 5.619 0.559 1.00 0.00 C ATOM 244 CZ TYR A 20 7.328 6.427 -0.403 1.00 0.00 C ATOM 245 OH TYR A 20 7.829 6.423 -1.685 1.00 0.00 O ATOM 0 H TYR A 20 3.504 7.105 2.567 1.00 0.00 H new ATOM 0 HA TYR A 20 4.656 4.601 3.576 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.597 7.473 3.907 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.510 6.022 4.269 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.924 7.882 1.444 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.837 4.993 2.595 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.817 7.871 -0.844 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.734 4.984 0.309 1.00 0.00 H new ATOM 0 HH TYR A 20 8.581 5.797 -1.740 1.00 0.00 H new ATOM 255 N ASP A 21 3.001 6.780 5.325 1.00 0.00 N ATOM 256 CA ASP A 21 2.397 7.043 6.626 1.00 0.00 C ATOM 257 C ASP A 21 1.294 6.034 6.927 1.00 0.00 C ATOM 258 O ASP A 21 1.130 5.598 8.068 1.00 0.00 O ATOM 259 CB ASP A 21 1.832 8.464 6.672 1.00 0.00 C ATOM 260 CG ASP A 21 0.783 8.635 7.753 1.00 0.00 C ATOM 261 OD1 ASP A 21 -0.366 8.193 7.541 1.00 0.00 O ATOM 262 OD2 ASP A 21 1.111 9.210 8.812 1.00 0.00 O ATOM 0 H ASP A 21 2.665 7.383 4.574 1.00 0.00 H new ATOM 0 HA ASP A 21 3.172 6.944 7.386 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.645 9.170 6.844 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.395 8.710 5.704 1.00 0.00 H new ATOM 267 N LEU A 22 0.538 5.667 5.898 1.00 0.00 N ATOM 268 CA LEU A 22 -0.551 4.709 6.052 1.00 0.00 C ATOM 269 C LEU A 22 -0.042 3.393 6.632 1.00 0.00 C ATOM 270 O LEU A 22 -0.733 2.737 7.412 1.00 0.00 O ATOM 271 CB LEU A 22 -1.229 4.456 4.704 1.00 0.00 C ATOM 272 CG LEU A 22 -2.262 5.495 4.268 1.00 0.00 C ATOM 273 CD1 LEU A 22 -1.592 6.625 3.501 1.00 0.00 C ATOM 274 CD2 LEU A 22 -3.348 4.845 3.422 1.00 0.00 C ATOM 0 H LEU A 22 0.659 6.018 4.948 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.278 5.133 6.744 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.457 4.396 3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.716 3.482 4.742 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.726 5.914 5.161 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.343 7.355 3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.852 7.109 4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.100 6.222 2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.075 5.599 3.121 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.899 4.398 2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.849 4.071 4.004 1.00 0.00 H new ATOM 286 N LEU A 23 1.172 3.014 6.248 1.00 0.00 N ATOM 287 CA LEU A 23 1.777 1.778 6.732 1.00 0.00 C ATOM 288 C LEU A 23 2.657 2.042 7.950 1.00 0.00 C ATOM 289 O LEU A 23 2.642 1.280 8.916 1.00 0.00 O ATOM 290 CB LEU A 23 2.603 1.123 5.624 1.00 0.00 C ATOM 291 CG LEU A 23 1.834 0.223 4.656 1.00 0.00 C ATOM 292 CD1 LEU A 23 0.760 1.016 3.928 1.00 0.00 C ATOM 293 CD2 LEU A 23 2.785 -0.427 3.662 1.00 0.00 C ATOM 0 H LEU A 23 1.757 3.545 5.603 1.00 0.00 H new ATOM 0 HA LEU A 23 0.975 1.102 7.027 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.090 1.910 5.048 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.393 0.532 6.088 1.00 0.00 H new ATOM 0 HG LEU A 23 1.348 -0.565 5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.223 0.359 3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.061 1.433 4.653 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.224 1.825 3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.220 -1.064 2.981 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.300 0.346 3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.517 -1.030 4.200 1.00 0.00 H new ATOM 305 N GLY A 24 3.422 3.128 7.896 1.00 0.00 N ATOM 306 CA GLY A 24 4.296 3.474 9.002 1.00 0.00 C ATOM 307 C GLY A 24 5.745 3.124 8.726 1.00 0.00 C ATOM 308 O GLY A 24 6.518 2.875 9.652 1.00 0.00 O ATOM 0 H GLY A 24 3.452 3.774 7.107 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.215 4.542 9.205 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.964 2.953 9.900 1.00 0.00 H new ATOM 312 N VAL A 25 6.115 3.103 7.450 1.00 0.00 N ATOM 313 CA VAL A 25 7.481 2.780 7.055 1.00 0.00 C ATOM 314 C VAL A 25 8.190 4.001 6.480 1.00 0.00 C ATOM 315 O VAL A 25 7.576 4.876 5.869 1.00 0.00 O ATOM 316 CB VAL A 25 7.511 1.645 6.014 1.00 0.00 C ATOM 317 CG1 VAL A 25 6.899 0.377 6.589 1.00 0.00 C ATOM 318 CG2 VAL A 25 6.788 2.068 4.745 1.00 0.00 C ATOM 0 H VAL A 25 5.488 3.306 6.672 1.00 0.00 H new ATOM 0 HA VAL A 25 8.001 2.451 7.955 1.00 0.00 H new ATOM 0 HB VAL A 25 8.550 1.435 5.760 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.929 -0.414 5.839 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.465 0.066 7.467 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.864 0.569 6.873 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.819 1.254 4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.750 2.306 4.979 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.276 2.947 4.324 1.00 0.00 H new ATOM 328 N PRO A 26 9.515 4.064 6.678 1.00 0.00 N ATOM 329 CA PRO A 26 10.338 5.173 6.185 1.00 0.00 C ATOM 330 C PRO A 26 10.466 5.169 4.666 1.00 0.00 C ATOM 331 O PRO A 26 10.132 4.184 4.007 1.00 0.00 O ATOM 332 CB PRO A 26 11.699 4.921 6.838 1.00 0.00 C ATOM 333 CG PRO A 26 11.731 3.454 7.095 1.00 0.00 C ATOM 334 CD PRO A 26 10.313 3.056 7.397 1.00 0.00 C ATOM 0 HA PRO A 26 9.905 6.143 6.430 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.515 5.226 6.183 1.00 0.00 H new ATOM 0 HB3 PRO A 26 11.805 5.487 7.763 1.00 0.00 H new ATOM 0 HG2 PRO A 26 12.112 2.914 6.228 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.389 3.219 7.931 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.096 2.047 7.047 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.110 3.072 8.468 1.00 0.00 H new ATOM 342 N SER A 27 10.952 6.277 4.115 1.00 0.00 N ATOM 343 CA SER A 27 11.122 6.402 2.672 1.00 0.00 C ATOM 344 C SER A 27 12.202 5.450 2.167 1.00 0.00 C ATOM 345 O SER A 27 12.270 5.145 0.976 1.00 0.00 O ATOM 346 CB SER A 27 11.482 7.843 2.303 1.00 0.00 C ATOM 347 OG SER A 27 11.749 7.962 0.916 1.00 0.00 O ATOM 0 H SER A 27 11.235 7.101 4.646 1.00 0.00 H new ATOM 0 HA SER A 27 10.178 6.137 2.195 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.663 8.508 2.577 1.00 0.00 H new ATOM 0 HB3 SER A 27 12.355 8.161 2.873 1.00 0.00 H new ATOM 0 HG SER A 27 11.975 8.892 0.705 1.00 0.00 H new ATOM 353 N THR A 28 13.045 4.983 3.083 1.00 0.00 N ATOM 354 CA THR A 28 14.123 4.067 2.732 1.00 0.00 C ATOM 355 C THR A 28 13.860 2.671 3.285 1.00 0.00 C ATOM 356 O THR A 28 14.774 1.854 3.392 1.00 0.00 O ATOM 357 CB THR A 28 15.481 4.569 3.260 1.00 0.00 C ATOM 358 OG1 THR A 28 16.496 3.591 3.007 1.00 0.00 O ATOM 359 CG2 THR A 28 15.408 4.858 4.751 1.00 0.00 C ATOM 0 H THR A 28 13.002 5.224 4.073 1.00 0.00 H new ATOM 0 HA THR A 28 14.159 4.023 1.643 1.00 0.00 H new ATOM 0 HB THR A 28 15.730 5.494 2.739 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.260 2.751 3.454 1.00 0.00 H new ATOM 0 HG21 THR A 28 16.378 5.211 5.101 1.00 0.00 H new ATOM 0 HG22 THR A 28 14.655 5.624 4.937 1.00 0.00 H new ATOM 0 HG23 THR A 28 15.139 3.947 5.285 1.00 0.00 H new ATOM 367 N ALA A 29 12.606 2.405 3.634 1.00 0.00 N ATOM 368 CA ALA A 29 12.223 1.106 4.173 1.00 0.00 C ATOM 369 C ALA A 29 12.699 -0.026 3.270 1.00 0.00 C ATOM 370 O ALA A 29 13.244 0.213 2.191 1.00 0.00 O ATOM 371 CB ALA A 29 10.714 1.036 4.359 1.00 0.00 C ATOM 0 H ALA A 29 11.838 3.071 3.553 1.00 0.00 H new ATOM 0 HA ALA A 29 12.704 0.987 5.144 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.442 0.060 4.762 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.396 1.816 5.051 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.222 1.181 3.397 1.00 0.00 H new ATOM 377 N THR A 30 12.493 -1.261 3.716 1.00 0.00 N ATOM 378 CA THR A 30 12.903 -2.430 2.949 1.00 0.00 C ATOM 379 C THR A 30 11.714 -3.336 2.650 1.00 0.00 C ATOM 380 O THR A 30 10.752 -3.386 3.416 1.00 0.00 O ATOM 381 CB THR A 30 13.978 -3.242 3.695 1.00 0.00 C ATOM 382 OG1 THR A 30 14.276 -4.442 2.972 1.00 0.00 O ATOM 383 CG2 THR A 30 13.513 -3.594 5.100 1.00 0.00 C ATOM 0 H THR A 30 12.044 -1.477 4.606 1.00 0.00 H new ATOM 0 HA THR A 30 13.321 -2.063 2.012 1.00 0.00 H new ATOM 0 HB THR A 30 14.877 -2.630 3.769 1.00 0.00 H new ATOM 0 HG1 THR A 30 14.962 -4.952 3.452 1.00 0.00 H new ATOM 0 HG21 THR A 30 14.289 -4.167 5.607 1.00 0.00 H new ATOM 0 HG22 THR A 30 13.315 -2.679 5.658 1.00 0.00 H new ATOM 0 HG23 THR A 30 12.601 -4.189 5.043 1.00 0.00 H new ATOM 391 N GLN A 31 11.788 -4.051 1.532 1.00 0.00 N ATOM 392 CA GLN A 31 10.717 -4.956 1.133 1.00 0.00 C ATOM 393 C GLN A 31 10.109 -5.650 2.347 1.00 0.00 C ATOM 394 O GLN A 31 8.889 -5.690 2.505 1.00 0.00 O ATOM 395 CB GLN A 31 11.243 -5.999 0.145 1.00 0.00 C ATOM 396 CG GLN A 31 11.137 -5.568 -1.309 1.00 0.00 C ATOM 397 CD GLN A 31 9.789 -4.960 -1.641 1.00 0.00 C ATOM 398 OE1 GLN A 31 8.786 -5.667 -1.748 1.00 0.00 O ATOM 399 NE2 GLN A 31 9.757 -3.643 -1.805 1.00 0.00 N ATOM 0 H GLN A 31 12.578 -4.021 0.887 1.00 0.00 H new ATOM 0 HA GLN A 31 9.940 -4.366 0.648 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.286 -6.213 0.377 1.00 0.00 H new ATOM 0 HB3 GLN A 31 10.689 -6.928 0.281 1.00 0.00 H new ATOM 0 HG2 GLN A 31 11.922 -4.844 -1.527 1.00 0.00 H new ATOM 0 HG3 GLN A 31 11.311 -6.430 -1.953 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.612 -3.096 -1.707 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.877 -3.178 -2.029 1.00 0.00 H new ATOM 408 N ALA A 32 10.968 -6.195 3.202 1.00 0.00 N ATOM 409 CA ALA A 32 10.515 -6.886 4.404 1.00 0.00 C ATOM 410 C ALA A 32 9.563 -6.012 5.214 1.00 0.00 C ATOM 411 O ALA A 32 8.516 -6.474 5.665 1.00 0.00 O ATOM 412 CB ALA A 32 11.706 -7.301 5.254 1.00 0.00 C ATOM 0 H ALA A 32 11.981 -6.172 3.085 1.00 0.00 H new ATOM 0 HA ALA A 32 9.973 -7.780 4.097 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.353 -7.816 6.148 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.348 -7.969 4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.272 -6.416 5.544 1.00 0.00 H new ATOM 418 N GLN A 33 9.936 -4.749 5.394 1.00 0.00 N ATOM 419 CA GLN A 33 9.115 -3.812 6.152 1.00 0.00 C ATOM 420 C GLN A 33 7.865 -3.426 5.367 1.00 0.00 C ATOM 421 O GLN A 33 6.745 -3.742 5.771 1.00 0.00 O ATOM 422 CB GLN A 33 9.921 -2.559 6.498 1.00 0.00 C ATOM 423 CG GLN A 33 11.019 -2.806 7.521 1.00 0.00 C ATOM 424 CD GLN A 33 11.689 -1.525 7.978 1.00 0.00 C ATOM 425 OE1 GLN A 33 11.041 -0.634 8.528 1.00 0.00 O ATOM 426 NE2 GLN A 33 12.993 -1.425 7.752 1.00 0.00 N ATOM 0 H GLN A 33 10.800 -4.351 5.026 1.00 0.00 H new ATOM 0 HA GLN A 33 8.806 -4.303 7.075 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.367 -2.161 5.587 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.244 -1.796 6.881 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.597 -3.319 8.385 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.769 -3.470 7.091 1.00 0.00 H new ATOM 0 HE21 GLN A 33 13.491 -2.188 7.293 1.00 0.00 H new ATOM 0 HE22 GLN A 33 13.497 -0.585 8.037 1.00 0.00 H new ATOM 435 N ILE A 34 8.064 -2.742 4.246 1.00 0.00 N ATOM 436 CA ILE A 34 6.953 -2.314 3.405 1.00 0.00 C ATOM 437 C ILE A 34 5.890 -3.402 3.304 1.00 0.00 C ATOM 438 O ILE A 34 4.706 -3.114 3.123 1.00 0.00 O ATOM 439 CB ILE A 34 7.430 -1.943 1.988 1.00 0.00 C ATOM 440 CG1 ILE A 34 8.280 -0.672 2.028 1.00 0.00 C ATOM 441 CG2 ILE A 34 6.238 -1.762 1.059 1.00 0.00 C ATOM 442 CD1 ILE A 34 8.983 -0.373 0.722 1.00 0.00 C ATOM 0 H ILE A 34 8.984 -2.472 3.899 1.00 0.00 H new ATOM 0 HA ILE A 34 6.522 -1.431 3.876 1.00 0.00 H new ATOM 0 HB ILE A 34 8.046 -2.756 1.603 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.643 0.173 2.290 1.00 0.00 H new ATOM 0 HG13 ILE A 34 9.025 -0.767 2.818 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.591 -1.500 0.061 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.670 -2.691 1.011 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.599 -0.965 1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.567 0.542 0.824 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.646 -1.200 0.468 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.243 -0.245 -0.068 1.00 0.00 H new ATOM 454 N LYS A 35 6.319 -4.654 3.422 1.00 0.00 N ATOM 455 CA LYS A 35 5.404 -5.787 3.347 1.00 0.00 C ATOM 456 C LYS A 35 4.758 -6.054 4.703 1.00 0.00 C ATOM 457 O LYS A 35 3.550 -5.885 4.869 1.00 0.00 O ATOM 458 CB LYS A 35 6.146 -7.036 2.868 1.00 0.00 C ATOM 459 CG LYS A 35 5.265 -8.012 2.107 1.00 0.00 C ATOM 460 CD LYS A 35 5.752 -9.443 2.264 1.00 0.00 C ATOM 461 CE LYS A 35 5.189 -10.088 3.522 1.00 0.00 C ATOM 462 NZ LYS A 35 5.463 -11.551 3.565 1.00 0.00 N ATOM 0 H LYS A 35 7.295 -4.910 3.570 1.00 0.00 H new ATOM 0 HA LYS A 35 4.618 -5.542 2.632 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.975 -6.733 2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.578 -7.545 3.730 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.239 -7.934 2.467 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.253 -7.745 1.050 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.458 -10.027 1.392 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.841 -9.456 2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.624 -9.611 4.400 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.113 -9.918 3.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.064 -11.953 4.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.027 -12.010 2.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.490 -11.712 3.548 1.00 0.00 H new ATOM 476 N ALA A 36 5.570 -6.472 5.669 1.00 0.00 N ATOM 477 CA ALA A 36 5.077 -6.759 7.010 1.00 0.00 C ATOM 478 C ALA A 36 4.109 -5.679 7.482 1.00 0.00 C ATOM 479 O ALA A 36 3.084 -5.976 8.095 1.00 0.00 O ATOM 480 CB ALA A 36 6.240 -6.891 7.982 1.00 0.00 C ATOM 0 H ALA A 36 6.572 -6.619 5.547 1.00 0.00 H new ATOM 0 HA ALA A 36 4.536 -7.705 6.977 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.858 -7.105 8.980 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.892 -7.703 7.661 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.805 -5.959 8.002 1.00 0.00 H new ATOM 486 N ALA A 37 4.443 -4.425 7.195 1.00 0.00 N ATOM 487 CA ALA A 37 3.602 -3.302 7.590 1.00 0.00 C ATOM 488 C ALA A 37 2.218 -3.403 6.957 1.00 0.00 C ATOM 489 O ALA A 37 1.203 -3.339 7.650 1.00 0.00 O ATOM 490 CB ALA A 37 4.265 -1.987 7.206 1.00 0.00 C ATOM 0 H ALA A 37 5.290 -4.162 6.691 1.00 0.00 H new ATOM 0 HA ALA A 37 3.481 -3.334 8.673 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.627 -1.156 7.507 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.228 -1.905 7.709 1.00 0.00 H new ATOM 0 HB3 ALA A 37 4.416 -1.957 6.127 1.00 0.00 H new ATOM 496 N TYR A 38 2.186 -3.560 5.639 1.00 0.00 N ATOM 497 CA TYR A 38 0.925 -3.666 4.913 1.00 0.00 C ATOM 498 C TYR A 38 0.042 -4.756 5.513 1.00 0.00 C ATOM 499 O TYR A 38 -1.181 -4.725 5.375 1.00 0.00 O ATOM 500 CB TYR A 38 1.187 -3.963 3.435 1.00 0.00 C ATOM 501 CG TYR A 38 -0.031 -4.463 2.693 1.00 0.00 C ATOM 502 CD1 TYR A 38 -1.084 -3.608 2.390 1.00 0.00 C ATOM 503 CD2 TYR A 38 -0.130 -5.791 2.295 1.00 0.00 C ATOM 504 CE1 TYR A 38 -2.200 -4.061 1.713 1.00 0.00 C ATOM 505 CE2 TYR A 38 -1.241 -6.252 1.616 1.00 0.00 C ATOM 506 CZ TYR A 38 -2.273 -5.384 1.328 1.00 0.00 C ATOM 507 OH TYR A 38 -3.382 -5.839 0.652 1.00 0.00 O ATOM 0 H TYR A 38 3.018 -3.617 5.051 1.00 0.00 H new ATOM 0 HA TYR A 38 0.404 -2.712 4.999 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.551 -3.057 2.950 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.980 -4.707 3.358 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.029 -2.572 2.689 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.676 -6.474 2.520 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.010 -3.384 1.487 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.301 -7.287 1.312 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.275 -6.793 0.453 1.00 0.00 H new ATOM 517 N TYR A 39 0.670 -5.718 6.179 1.00 0.00 N ATOM 518 CA TYR A 39 -0.057 -6.818 6.800 1.00 0.00 C ATOM 519 C TYR A 39 -0.686 -6.381 8.119 1.00 0.00 C ATOM 520 O TYR A 39 -1.907 -6.270 8.231 1.00 0.00 O ATOM 521 CB TYR A 39 0.877 -8.006 7.036 1.00 0.00 C ATOM 522 CG TYR A 39 0.994 -8.931 5.846 1.00 0.00 C ATOM 523 CD1 TYR A 39 1.468 -8.467 4.624 1.00 0.00 C ATOM 524 CD2 TYR A 39 0.632 -10.269 5.943 1.00 0.00 C ATOM 525 CE1 TYR A 39 1.575 -9.309 3.534 1.00 0.00 C ATOM 526 CE2 TYR A 39 0.738 -11.118 4.858 1.00 0.00 C ATOM 527 CZ TYR A 39 1.210 -10.633 3.656 1.00 0.00 C ATOM 528 OH TYR A 39 1.317 -11.475 2.572 1.00 0.00 O ATOM 0 H TYR A 39 1.682 -5.758 6.303 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.855 -7.121 6.122 1.00 0.00 H new ATOM 0 HB2 TYR A 39 1.868 -7.632 7.294 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.518 -8.575 7.894 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.757 -7.431 4.525 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.261 -10.652 6.882 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.943 -8.932 2.591 1.00 0.00 H new ATOM 0 HE2 TYR A 39 0.453 -12.156 4.951 1.00 0.00 H new ATOM 0 HH TYR A 39 1.020 -12.374 2.826 1.00 0.00 H new ATOM 538 N ARG A 40 0.158 -6.134 9.116 1.00 0.00 N ATOM 539 CA ARG A 40 -0.314 -5.709 10.428 1.00 0.00 C ATOM 540 C ARG A 40 -1.491 -4.747 10.298 1.00 0.00 C ATOM 541 O ARG A 40 -2.331 -4.655 11.193 1.00 0.00 O ATOM 542 CB ARG A 40 0.820 -5.042 11.209 1.00 0.00 C ATOM 543 CG ARG A 40 1.414 -3.832 10.507 1.00 0.00 C ATOM 544 CD ARG A 40 2.450 -3.136 11.376 1.00 0.00 C ATOM 545 NE ARG A 40 3.692 -3.899 11.464 1.00 0.00 N ATOM 546 CZ ARG A 40 3.889 -4.885 12.332 1.00 0.00 C ATOM 547 NH1 ARG A 40 2.930 -5.227 13.181 1.00 0.00 N ATOM 548 NH2 ARG A 40 5.048 -5.532 12.350 1.00 0.00 N ATOM 0 H ARG A 40 1.171 -6.221 9.040 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.649 -6.593 10.970 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.446 -4.737 12.186 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.609 -5.774 11.384 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.874 -4.144 9.569 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.619 -3.130 10.254 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.660 -2.147 10.968 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.044 -2.988 12.377 1.00 0.00 H new ATOM 0 HE ARG A 40 4.450 -3.662 10.824 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.038 -4.733 13.169 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.084 -5.985 13.846 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.787 -5.272 11.697 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.199 -6.289 13.017 1.00 0.00 H new ATOM 562 N GLN A 41 -1.544 -4.034 9.178 1.00 0.00 N ATOM 563 CA GLN A 41 -2.618 -3.078 8.932 1.00 0.00 C ATOM 564 C GLN A 41 -3.954 -3.793 8.758 1.00 0.00 C ATOM 565 O GLN A 41 -4.866 -3.632 9.570 1.00 0.00 O ATOM 566 CB GLN A 41 -2.309 -2.240 7.690 1.00 0.00 C ATOM 567 CG GLN A 41 -1.293 -1.137 7.938 1.00 0.00 C ATOM 568 CD GLN A 41 -1.519 -0.421 9.254 1.00 0.00 C ATOM 569 OE1 GLN A 41 -2.652 -0.103 9.615 1.00 0.00 O ATOM 570 NE2 GLN A 41 -0.438 -0.163 9.981 1.00 0.00 N ATOM 0 H GLN A 41 -0.857 -4.100 8.427 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.689 -2.419 9.798 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.936 -2.896 6.903 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.234 -1.795 7.323 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.290 -1.563 7.928 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.340 -0.415 7.123 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.483 -0.444 9.644 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.528 0.317 10.877 1.00 0.00 H new ATOM 579 N CYS A 42 -4.063 -4.582 7.695 1.00 0.00 N ATOM 580 CA CYS A 42 -5.288 -5.321 7.414 1.00 0.00 C ATOM 581 C CYS A 42 -5.872 -5.912 8.692 1.00 0.00 C ATOM 582 O CYS A 42 -7.088 -6.061 8.822 1.00 0.00 O ATOM 583 CB CYS A 42 -5.016 -6.434 6.401 1.00 0.00 C ATOM 584 SG CYS A 42 -6.500 -7.070 5.586 1.00 0.00 S ATOM 0 H CYS A 42 -3.318 -4.726 7.014 1.00 0.00 H new ATOM 0 HA CYS A 42 -6.014 -4.625 6.993 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -4.330 -6.059 5.642 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.512 -7.257 6.908 1.00 0.00 H new ATOM 0 HG CYS A 42 -6.167 -8.005 4.747 1.00 0.00 H new ATOM 590 N PHE A 43 -4.998 -6.250 9.635 1.00 0.00 N ATOM 591 CA PHE A 43 -5.427 -6.828 10.903 1.00 0.00 C ATOM 592 C PHE A 43 -6.225 -5.816 11.720 1.00 0.00 C ATOM 593 O PHE A 43 -7.281 -6.137 12.266 1.00 0.00 O ATOM 594 CB PHE A 43 -4.215 -7.306 11.706 1.00 0.00 C ATOM 595 CG PHE A 43 -4.576 -7.924 13.026 1.00 0.00 C ATOM 596 CD1 PHE A 43 -4.746 -7.136 14.152 1.00 0.00 C ATOM 597 CD2 PHE A 43 -4.744 -9.295 13.141 1.00 0.00 C ATOM 598 CE1 PHE A 43 -5.079 -7.702 15.368 1.00 0.00 C ATOM 599 CE2 PHE A 43 -5.077 -9.867 14.354 1.00 0.00 C ATOM 600 CZ PHE A 43 -5.244 -9.069 15.470 1.00 0.00 C ATOM 0 H PHE A 43 -3.989 -6.133 9.545 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.070 -7.681 10.686 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.660 -8.033 11.113 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.548 -6.461 11.880 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.617 -6.066 14.079 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.613 -9.923 12.273 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.210 -7.075 16.238 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.207 -10.937 14.430 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.503 -9.514 16.420 1.00 0.00 H new ATOM 610 N LEU A 44 -5.713 -4.593 11.799 1.00 0.00 N ATOM 611 CA LEU A 44 -6.377 -3.533 12.549 1.00 0.00 C ATOM 612 C LEU A 44 -7.785 -3.288 12.017 1.00 0.00 C ATOM 613 O LEU A 44 -8.674 -2.866 12.756 1.00 0.00 O ATOM 614 CB LEU A 44 -5.560 -2.242 12.476 1.00 0.00 C ATOM 615 CG LEU A 44 -4.292 -2.200 13.330 1.00 0.00 C ATOM 616 CD1 LEU A 44 -3.280 -1.232 12.736 1.00 0.00 C ATOM 617 CD2 LEU A 44 -4.626 -1.812 14.763 1.00 0.00 C ATOM 0 H LEU A 44 -4.840 -4.311 11.353 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.453 -3.850 13.589 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.280 -2.072 11.437 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.202 -1.412 12.773 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.850 -3.196 13.338 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.384 -1.215 13.357 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.017 -1.554 11.728 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.713 -0.232 12.696 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.712 -1.787 15.356 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.092 -0.827 14.774 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.314 -2.544 15.187 1.00 0.00 H new ATOM 629 N TYR A 45 -7.981 -3.559 10.731 1.00 0.00 N ATOM 630 CA TYR A 45 -9.281 -3.368 10.099 1.00 0.00 C ATOM 631 C TYR A 45 -9.712 -4.625 9.349 1.00 0.00 C ATOM 632 O TYR A 45 -9.380 -4.808 8.178 1.00 0.00 O ATOM 633 CB TYR A 45 -9.235 -2.179 9.139 1.00 0.00 C ATOM 634 CG TYR A 45 -8.953 -0.860 9.822 1.00 0.00 C ATOM 635 CD1 TYR A 45 -7.688 -0.568 10.317 1.00 0.00 C ATOM 636 CD2 TYR A 45 -9.951 0.095 9.971 1.00 0.00 C ATOM 637 CE1 TYR A 45 -7.426 0.636 10.942 1.00 0.00 C ATOM 638 CE2 TYR A 45 -9.698 1.302 10.594 1.00 0.00 C ATOM 639 CZ TYR A 45 -8.434 1.567 11.078 1.00 0.00 C ATOM 640 OH TYR A 45 -8.176 2.768 11.699 1.00 0.00 O ATOM 0 H TYR A 45 -7.256 -3.912 10.106 1.00 0.00 H new ATOM 0 HA TYR A 45 -10.011 -3.166 10.883 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.468 -2.360 8.386 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -10.187 -2.110 8.613 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.896 -1.295 10.211 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.942 -0.110 9.593 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.437 0.847 11.322 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.485 2.034 10.701 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.991 3.311 11.712 1.00 0.00 H new ATOM 650 N HIS A 46 -10.454 -5.489 10.034 1.00 0.00 N ATOM 651 CA HIS A 46 -10.933 -6.730 9.434 1.00 0.00 C ATOM 652 C HIS A 46 -12.406 -6.615 9.052 1.00 0.00 C ATOM 653 O HIS A 46 -13.155 -5.811 9.606 1.00 0.00 O ATOM 654 CB HIS A 46 -10.733 -7.898 10.399 1.00 0.00 C ATOM 655 CG HIS A 46 -9.412 -8.586 10.242 1.00 0.00 C ATOM 656 ND1 HIS A 46 -8.949 -9.061 9.033 1.00 0.00 N ATOM 657 CD2 HIS A 46 -8.451 -8.875 11.151 1.00 0.00 C ATOM 658 CE1 HIS A 46 -7.762 -9.615 9.205 1.00 0.00 C ATOM 659 NE2 HIS A 46 -7.437 -9.515 10.482 1.00 0.00 N ATOM 0 H HIS A 46 -10.737 -5.353 11.005 1.00 0.00 H new ATOM 0 HA HIS A 46 -10.355 -6.915 8.529 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -10.824 -7.533 11.422 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -11.532 -8.624 10.248 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -8.477 -8.645 12.206 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.160 -10.072 8.433 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.573 -9.858 10.902 1.00 0.00 H new ATOM 667 N PRO A 47 -12.832 -7.439 8.082 1.00 0.00 N ATOM 668 CA PRO A 47 -14.218 -7.449 7.605 1.00 0.00 C ATOM 669 C PRO A 47 -15.184 -8.011 8.642 1.00 0.00 C ATOM 670 O PRO A 47 -16.306 -7.525 8.787 1.00 0.00 O ATOM 671 CB PRO A 47 -14.163 -8.360 6.376 1.00 0.00 C ATOM 672 CG PRO A 47 -12.993 -9.249 6.616 1.00 0.00 C ATOM 673 CD PRO A 47 -11.994 -8.423 7.378 1.00 0.00 C ATOM 0 HA PRO A 47 -14.583 -6.444 7.392 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -15.082 -8.936 6.269 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -14.040 -7.782 5.460 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -13.284 -10.132 7.185 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -12.571 -9.601 5.675 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.417 -9.031 8.075 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.280 -7.939 6.711 1.00 0.00 H new ATOM 681 N ASP A 48 -14.742 -9.036 9.362 1.00 0.00 N ATOM 682 CA ASP A 48 -15.567 -9.663 10.387 1.00 0.00 C ATOM 683 C ASP A 48 -15.968 -8.652 11.456 1.00 0.00 C ATOM 684 O ASP A 48 -17.131 -8.580 11.852 1.00 0.00 O ATOM 685 CB ASP A 48 -14.820 -10.834 11.028 1.00 0.00 C ATOM 686 CG ASP A 48 -15.615 -11.489 12.140 1.00 0.00 C ATOM 687 OD1 ASP A 48 -16.394 -12.420 11.844 1.00 0.00 O ATOM 688 OD2 ASP A 48 -15.459 -11.071 13.306 1.00 0.00 O ATOM 0 H ASP A 48 -13.816 -9.450 9.254 1.00 0.00 H new ATOM 0 HA ASP A 48 -16.473 -10.038 9.910 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -14.590 -11.576 10.264 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.869 -10.480 11.425 1.00 0.00 H new ATOM 693 N ARG A 49 -14.996 -7.873 11.921 1.00 0.00 N ATOM 694 CA ARG A 49 -15.246 -6.868 12.946 1.00 0.00 C ATOM 695 C ARG A 49 -16.062 -5.708 12.382 1.00 0.00 C ATOM 696 O ARG A 49 -16.983 -5.212 13.029 1.00 0.00 O ATOM 697 CB ARG A 49 -13.924 -6.347 13.514 1.00 0.00 C ATOM 698 CG ARG A 49 -13.142 -7.392 14.292 1.00 0.00 C ATOM 699 CD ARG A 49 -11.646 -7.125 14.236 1.00 0.00 C ATOM 700 NE ARG A 49 -10.866 -8.292 14.636 1.00 0.00 N ATOM 701 CZ ARG A 49 -9.615 -8.224 15.080 1.00 0.00 C ATOM 702 NH1 ARG A 49 -9.007 -7.050 15.179 1.00 0.00 N ATOM 703 NH2 ARG A 49 -8.971 -9.331 15.425 1.00 0.00 N ATOM 0 H ARG A 49 -14.028 -7.919 11.603 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.818 -7.337 13.747 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.306 -5.979 12.695 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -14.128 -5.498 14.166 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.473 -7.397 15.330 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.351 -8.382 13.886 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.368 -6.833 13.223 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.403 -6.286 14.888 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.305 -9.210 14.571 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.499 -6.197 14.914 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.047 -7.000 15.520 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.436 -10.236 15.350 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.011 -9.277 15.766 1.00 0.00 H new ATOM 717 N ASN A 50 -15.715 -5.281 11.172 1.00 0.00 N ATOM 718 CA ASN A 50 -16.415 -4.179 10.521 1.00 0.00 C ATOM 719 C ASN A 50 -17.046 -4.634 9.209 1.00 0.00 C ATOM 720 O ASN A 50 -16.387 -4.667 8.170 1.00 0.00 O ATOM 721 CB ASN A 50 -15.451 -3.019 10.262 1.00 0.00 C ATOM 722 CG ASN A 50 -14.464 -2.822 11.396 1.00 0.00 C ATOM 723 OD1 ASN A 50 -14.661 -1.971 12.264 1.00 0.00 O ATOM 724 ND2 ASN A 50 -13.395 -3.610 11.393 1.00 0.00 N ATOM 0 H ASN A 50 -14.954 -5.681 10.623 1.00 0.00 H new ATOM 0 HA ASN A 50 -17.209 -3.841 11.187 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -14.905 -3.204 9.337 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -16.022 -2.102 10.117 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.696 -3.524 12.131 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.273 -4.301 10.653 1.00 0.00 H new ATOM 731 N SER A 51 -18.327 -4.984 9.265 1.00 0.00 N ATOM 732 CA SER A 51 -19.047 -5.441 8.082 1.00 0.00 C ATOM 733 C SER A 51 -18.871 -4.459 6.927 1.00 0.00 C ATOM 734 O SER A 51 -18.375 -4.820 5.861 1.00 0.00 O ATOM 735 CB SER A 51 -20.534 -5.613 8.398 1.00 0.00 C ATOM 736 OG SER A 51 -21.077 -4.428 8.954 1.00 0.00 O ATOM 0 H SER A 51 -18.888 -4.960 10.117 1.00 0.00 H new ATOM 0 HA SER A 51 -18.633 -6.404 7.784 1.00 0.00 H new ATOM 0 HB2 SER A 51 -21.075 -5.873 7.488 1.00 0.00 H new ATOM 0 HB3 SER A 51 -20.668 -6.440 9.095 1.00 0.00 H new ATOM 0 HG SER A 51 -22.029 -4.563 9.146 1.00 0.00 H new ATOM 742 N GLY A 52 -19.283 -3.215 7.148 1.00 0.00 N ATOM 743 CA GLY A 52 -19.164 -2.200 6.118 1.00 0.00 C ATOM 744 C GLY A 52 -19.099 -0.798 6.690 1.00 0.00 C ATOM 745 O GLY A 52 -19.903 0.064 6.333 1.00 0.00 O ATOM 0 H GLY A 52 -19.697 -2.892 8.022 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -18.268 -2.390 5.527 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -20.014 -2.273 5.440 1.00 0.00 H new ATOM 749 N SER A 53 -18.140 -0.568 7.581 1.00 0.00 N ATOM 750 CA SER A 53 -17.976 0.738 8.209 1.00 0.00 C ATOM 751 C SER A 53 -17.635 1.801 7.169 1.00 0.00 C ATOM 752 O SER A 53 -16.790 1.587 6.300 1.00 0.00 O ATOM 753 CB SER A 53 -16.881 0.682 9.275 1.00 0.00 C ATOM 754 OG SER A 53 -17.416 0.321 10.537 1.00 0.00 O ATOM 0 H SER A 53 -17.464 -1.269 7.884 1.00 0.00 H new ATOM 0 HA SER A 53 -18.920 1.007 8.683 1.00 0.00 H new ATOM 0 HB2 SER A 53 -16.118 -0.039 8.980 1.00 0.00 H new ATOM 0 HB3 SER A 53 -16.391 1.653 9.349 1.00 0.00 H new ATOM 0 HG SER A 53 -16.696 0.290 11.201 1.00 0.00 H new ATOM 760 N ALA A 54 -18.300 2.948 7.265 1.00 0.00 N ATOM 761 CA ALA A 54 -18.067 4.046 6.335 1.00 0.00 C ATOM 762 C ALA A 54 -16.624 4.535 6.413 1.00 0.00 C ATOM 763 O ALA A 54 -15.933 4.619 5.399 1.00 0.00 O ATOM 764 CB ALA A 54 -19.030 5.190 6.616 1.00 0.00 C ATOM 0 H ALA A 54 -19.004 3.141 7.977 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.244 3.677 5.325 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -18.844 6.003 5.914 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -20.055 4.839 6.501 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -18.881 5.549 7.634 1.00 0.00 H new ATOM 770 N GLU A 55 -16.178 4.857 7.623 1.00 0.00 N ATOM 771 CA GLU A 55 -14.818 5.339 7.832 1.00 0.00 C ATOM 772 C GLU A 55 -13.797 4.286 7.410 1.00 0.00 C ATOM 773 O GLU A 55 -12.818 4.593 6.731 1.00 0.00 O ATOM 774 CB GLU A 55 -14.605 5.712 9.301 1.00 0.00 C ATOM 775 CG GLU A 55 -15.169 7.074 9.670 1.00 0.00 C ATOM 776 CD GLU A 55 -14.360 8.218 9.090 1.00 0.00 C ATOM 777 OE1 GLU A 55 -13.224 8.439 9.561 1.00 0.00 O ATOM 778 OE2 GLU A 55 -14.861 8.891 8.166 1.00 0.00 O ATOM 0 H GLU A 55 -16.738 4.793 8.473 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.676 6.226 7.215 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -15.069 4.953 9.931 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.537 5.699 9.520 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.197 7.145 9.316 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.199 7.169 10.755 1.00 0.00 H new ATOM 785 N ALA A 56 -14.033 3.044 7.819 1.00 0.00 N ATOM 786 CA ALA A 56 -13.136 1.946 7.483 1.00 0.00 C ATOM 787 C ALA A 56 -12.986 1.801 5.973 1.00 0.00 C ATOM 788 O ALA A 56 -11.895 1.535 5.470 1.00 0.00 O ATOM 789 CB ALA A 56 -13.642 0.646 8.092 1.00 0.00 C ATOM 0 H ALA A 56 -14.838 2.773 8.384 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.154 2.172 7.899 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.962 -0.166 7.833 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.690 0.747 9.176 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.636 0.425 7.703 1.00 0.00 H new ATOM 795 N ALA A 57 -14.090 1.978 5.254 1.00 0.00 N ATOM 796 CA ALA A 57 -14.081 1.869 3.800 1.00 0.00 C ATOM 797 C ALA A 57 -12.983 2.736 3.192 1.00 0.00 C ATOM 798 O ALA A 57 -12.029 2.224 2.608 1.00 0.00 O ATOM 799 CB ALA A 57 -15.438 2.257 3.233 1.00 0.00 C ATOM 0 H ALA A 57 -15.002 2.197 5.655 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.875 0.831 3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.417 2.171 2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.203 1.593 3.635 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.668 3.286 3.511 1.00 0.00 H new ATOM 805 N GLU A 58 -13.127 4.050 3.332 1.00 0.00 N ATOM 806 CA GLU A 58 -12.148 4.986 2.793 1.00 0.00 C ATOM 807 C GLU A 58 -10.727 4.523 3.100 1.00 0.00 C ATOM 808 O GLU A 58 -9.958 4.204 2.193 1.00 0.00 O ATOM 809 CB GLU A 58 -12.376 6.385 3.371 1.00 0.00 C ATOM 810 CG GLU A 58 -13.577 7.101 2.776 1.00 0.00 C ATOM 811 CD GLU A 58 -13.381 7.453 1.314 1.00 0.00 C ATOM 812 OE1 GLU A 58 -12.312 8.000 0.973 1.00 0.00 O ATOM 813 OE2 GLU A 58 -14.298 7.181 0.511 1.00 0.00 O ATOM 0 H GLU A 58 -13.911 4.490 3.814 1.00 0.00 H new ATOM 0 HA GLU A 58 -12.274 5.022 1.711 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.509 6.306 4.450 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.484 6.988 3.203 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -14.459 6.469 2.879 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -13.770 8.012 3.343 1.00 0.00 H new ATOM 820 N ARG A 59 -10.385 4.490 4.384 1.00 0.00 N ATOM 821 CA ARG A 59 -9.056 4.068 4.810 1.00 0.00 C ATOM 822 C ARG A 59 -8.640 2.784 4.100 1.00 0.00 C ATOM 823 O ARG A 59 -7.699 2.779 3.306 1.00 0.00 O ATOM 824 CB ARG A 59 -9.027 3.858 6.325 1.00 0.00 C ATOM 825 CG ARG A 59 -7.662 3.454 6.857 1.00 0.00 C ATOM 826 CD ARG A 59 -6.652 4.582 6.716 1.00 0.00 C ATOM 827 NE ARG A 59 -5.318 4.181 7.154 1.00 0.00 N ATOM 828 CZ ARG A 59 -4.937 4.161 8.426 1.00 0.00 C ATOM 829 NH1 ARG A 59 -5.785 4.517 9.381 1.00 0.00 N ATOM 830 NH2 ARG A 59 -3.706 3.784 8.746 1.00 0.00 N ATOM 0 H ARG A 59 -11.010 4.750 5.147 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.349 4.854 4.545 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.342 4.778 6.817 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -9.753 3.090 6.591 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.749 3.171 7.906 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.306 2.576 6.318 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.610 4.903 5.675 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.983 5.440 7.301 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.642 3.901 6.444 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.733 4.807 9.139 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.490 4.501 10.357 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.050 3.509 8.015 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.415 3.769 9.724 1.00 0.00 H new ATOM 844 N PHE A 60 -9.346 1.697 4.391 1.00 0.00 N ATOM 845 CA PHE A 60 -9.048 0.406 3.782 1.00 0.00 C ATOM 846 C PHE A 60 -8.626 0.576 2.325 1.00 0.00 C ATOM 847 O PHE A 60 -7.588 0.065 1.903 1.00 0.00 O ATOM 848 CB PHE A 60 -10.268 -0.515 3.866 1.00 0.00 C ATOM 849 CG PHE A 60 -9.917 -1.975 3.859 1.00 0.00 C ATOM 850 CD1 PHE A 60 -9.080 -2.506 4.828 1.00 0.00 C ATOM 851 CD2 PHE A 60 -10.425 -2.818 2.883 1.00 0.00 C ATOM 852 CE1 PHE A 60 -8.756 -3.849 4.824 1.00 0.00 C ATOM 853 CE2 PHE A 60 -10.105 -4.163 2.875 1.00 0.00 C ATOM 854 CZ PHE A 60 -9.269 -4.679 3.846 1.00 0.00 C ATOM 0 H PHE A 60 -10.129 1.684 5.045 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.222 -0.045 4.332 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -10.824 -0.287 4.776 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.931 -0.305 3.027 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.676 -1.862 5.595 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -11.078 -2.420 2.120 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -8.102 -4.250 5.585 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.508 -4.810 2.110 1.00 0.00 H new ATOM 0 HZ PHE A 60 -9.017 -5.729 3.841 1.00 0.00 H new ATOM 864 N THR A 61 -9.438 1.299 1.560 1.00 0.00 N ATOM 865 CA THR A 61 -9.151 1.537 0.152 1.00 0.00 C ATOM 866 C THR A 61 -7.791 2.201 -0.028 1.00 0.00 C ATOM 867 O THR A 61 -7.047 1.874 -0.953 1.00 0.00 O ATOM 868 CB THR A 61 -10.231 2.420 -0.501 1.00 0.00 C ATOM 869 OG1 THR A 61 -11.511 1.788 -0.393 1.00 0.00 O ATOM 870 CG2 THR A 61 -9.908 2.677 -1.965 1.00 0.00 C ATOM 0 H THR A 61 -10.300 1.730 1.893 1.00 0.00 H new ATOM 0 HA THR A 61 -9.144 0.563 -0.337 1.00 0.00 H new ATOM 0 HB THR A 61 -10.253 3.376 0.022 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.825 1.842 0.534 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.685 3.303 -2.405 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.947 3.185 -2.042 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.861 1.728 -2.499 1.00 0.00 H new ATOM 878 N ARG A 62 -7.471 3.134 0.862 1.00 0.00 N ATOM 879 CA ARG A 62 -6.199 3.845 0.801 1.00 0.00 C ATOM 880 C ARG A 62 -5.036 2.905 1.107 1.00 0.00 C ATOM 881 O ARG A 62 -4.034 2.890 0.392 1.00 0.00 O ATOM 882 CB ARG A 62 -6.197 5.015 1.787 1.00 0.00 C ATOM 883 CG ARG A 62 -7.068 6.181 1.350 1.00 0.00 C ATOM 884 CD ARG A 62 -7.213 7.213 2.458 1.00 0.00 C ATOM 885 NE ARG A 62 -8.438 7.997 2.318 1.00 0.00 N ATOM 886 CZ ARG A 62 -8.570 9.007 1.465 1.00 0.00 C ATOM 887 NH1 ARG A 62 -7.560 9.353 0.679 1.00 0.00 N ATOM 888 NH2 ARG A 62 -9.716 9.672 1.396 1.00 0.00 N ATOM 0 H ARG A 62 -8.075 3.416 1.634 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.075 4.231 -0.211 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.540 4.661 2.759 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.174 5.366 1.919 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.633 6.651 0.468 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.053 5.813 1.062 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.213 6.710 3.425 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.352 7.881 2.447 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.235 7.756 2.907 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.678 8.843 0.728 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.665 10.129 0.025 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.496 9.408 1.998 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.817 10.447 0.741 1.00 0.00 H new ATOM 902 N ILE A 63 -5.178 2.125 2.173 1.00 0.00 N ATOM 903 CA ILE A 63 -4.140 1.183 2.572 1.00 0.00 C ATOM 904 C ILE A 63 -3.651 0.365 1.381 1.00 0.00 C ATOM 905 O ILE A 63 -2.452 0.299 1.111 1.00 0.00 O ATOM 906 CB ILE A 63 -4.641 0.223 3.668 1.00 0.00 C ATOM 907 CG1 ILE A 63 -5.043 1.008 4.919 1.00 0.00 C ATOM 908 CG2 ILE A 63 -3.571 -0.805 4.002 1.00 0.00 C ATOM 909 CD1 ILE A 63 -5.635 0.144 6.010 1.00 0.00 C ATOM 0 H ILE A 63 -6.001 2.127 2.775 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.314 1.774 2.967 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.519 -0.304 3.295 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.167 1.525 5.311 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.767 1.774 4.640 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.940 -1.476 4.778 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.329 -1.381 3.109 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.676 -0.296 4.359 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.897 0.767 6.866 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.530 -0.353 5.635 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.906 -0.606 6.316 1.00 0.00 H new ATOM 921 N SER A 64 -4.589 -0.254 0.672 1.00 0.00 N ATOM 922 CA SER A 64 -4.254 -1.070 -0.490 1.00 0.00 C ATOM 923 C SER A 64 -3.328 -0.312 -1.437 1.00 0.00 C ATOM 924 O SER A 64 -2.306 -0.839 -1.875 1.00 0.00 O ATOM 925 CB SER A 64 -5.526 -1.489 -1.229 1.00 0.00 C ATOM 926 OG SER A 64 -6.054 -0.413 -1.986 1.00 0.00 O ATOM 0 H SER A 64 -5.586 -0.206 0.881 1.00 0.00 H new ATOM 0 HA SER A 64 -3.735 -1.962 -0.139 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.307 -2.329 -1.888 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.271 -1.833 -0.511 1.00 0.00 H new ATOM 0 HG SER A 64 -6.350 0.298 -1.381 1.00 0.00 H new ATOM 932 N GLN A 65 -3.695 0.927 -1.747 1.00 0.00 N ATOM 933 CA GLN A 65 -2.898 1.758 -2.642 1.00 0.00 C ATOM 934 C GLN A 65 -1.433 1.764 -2.219 1.00 0.00 C ATOM 935 O GLN A 65 -0.540 1.540 -3.036 1.00 0.00 O ATOM 936 CB GLN A 65 -3.441 3.188 -2.664 1.00 0.00 C ATOM 937 CG GLN A 65 -4.923 3.271 -2.992 1.00 0.00 C ATOM 938 CD GLN A 65 -5.336 4.644 -3.482 1.00 0.00 C ATOM 939 OE1 GLN A 65 -4.678 5.234 -4.339 1.00 0.00 O ATOM 940 NE2 GLN A 65 -6.433 5.162 -2.941 1.00 0.00 N ATOM 0 H GLN A 65 -4.538 1.378 -1.392 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.966 1.336 -3.645 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.266 3.649 -1.692 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.882 3.769 -3.398 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.165 2.530 -3.754 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.502 3.017 -2.104 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.949 4.639 -2.233 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.760 6.083 -3.233 1.00 0.00 H new ATOM 949 N ALA A 66 -1.193 2.022 -0.938 1.00 0.00 N ATOM 950 CA ALA A 66 0.163 2.056 -0.406 1.00 0.00 C ATOM 951 C ALA A 66 0.920 0.777 -0.750 1.00 0.00 C ATOM 952 O ALA A 66 2.143 0.787 -0.891 1.00 0.00 O ATOM 953 CB ALA A 66 0.134 2.266 1.101 1.00 0.00 C ATOM 0 H ALA A 66 -1.921 2.211 -0.249 1.00 0.00 H new ATOM 0 HA ALA A 66 0.687 2.893 -0.868 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.154 2.289 1.485 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.361 3.211 1.327 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.412 1.449 1.572 1.00 0.00 H new ATOM 959 N TYR A 67 0.185 -0.321 -0.882 1.00 0.00 N ATOM 960 CA TYR A 67 0.787 -1.609 -1.206 1.00 0.00 C ATOM 961 C TYR A 67 0.861 -1.811 -2.717 1.00 0.00 C ATOM 962 O TYR A 67 0.939 -2.940 -3.201 1.00 0.00 O ATOM 963 CB TYR A 67 -0.013 -2.745 -0.567 1.00 0.00 C ATOM 964 CG TYR A 67 0.778 -4.023 -0.399 1.00 0.00 C ATOM 965 CD1 TYR A 67 2.019 -4.018 0.225 1.00 0.00 C ATOM 966 CD2 TYR A 67 0.285 -5.235 -0.866 1.00 0.00 C ATOM 967 CE1 TYR A 67 2.746 -5.182 0.380 1.00 0.00 C ATOM 968 CE2 TYR A 67 1.004 -6.405 -0.713 1.00 0.00 C ATOM 969 CZ TYR A 67 2.234 -6.373 -0.090 1.00 0.00 C ATOM 970 OH TYR A 67 2.953 -7.536 0.062 1.00 0.00 O ATOM 0 H TYR A 67 -0.829 -0.345 -0.770 1.00 0.00 H new ATOM 0 HA TYR A 67 1.801 -1.618 -0.806 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.374 -2.420 0.409 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.891 -2.949 -1.180 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.423 -3.087 0.596 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.677 -5.263 -1.357 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.710 -5.160 0.867 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.605 -7.339 -1.079 1.00 0.00 H new ATOM 0 HH TYR A 67 2.450 -8.284 -0.323 1.00 0.00 H new ATOM 980 N VAL A 68 0.838 -0.707 -3.457 1.00 0.00 N ATOM 981 CA VAL A 68 0.904 -0.761 -4.912 1.00 0.00 C ATOM 982 C VAL A 68 2.097 0.030 -5.437 1.00 0.00 C ATOM 983 O VAL A 68 3.022 -0.534 -6.022 1.00 0.00 O ATOM 984 CB VAL A 68 -0.384 -0.212 -5.553 1.00 0.00 C ATOM 985 CG1 VAL A 68 -0.241 -0.143 -7.066 1.00 0.00 C ATOM 986 CG2 VAL A 68 -1.580 -1.068 -5.161 1.00 0.00 C ATOM 0 H VAL A 68 0.774 0.236 -3.072 1.00 0.00 H new ATOM 0 HA VAL A 68 1.018 -1.810 -5.185 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.551 0.799 -5.182 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.161 0.247 -7.501 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.589 0.514 -7.323 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.049 -1.141 -7.459 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.482 -0.666 -5.622 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.423 -2.091 -5.502 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.693 -1.061 -4.077 1.00 0.00 H new ATOM 996 N VAL A 69 2.070 1.342 -5.225 1.00 0.00 N ATOM 997 CA VAL A 69 3.149 2.212 -5.675 1.00 0.00 C ATOM 998 C VAL A 69 4.485 1.786 -5.076 1.00 0.00 C ATOM 999 O VAL A 69 5.541 1.996 -5.674 1.00 0.00 O ATOM 1000 CB VAL A 69 2.878 3.682 -5.304 1.00 0.00 C ATOM 1001 CG1 VAL A 69 4.011 4.574 -5.788 1.00 0.00 C ATOM 1002 CG2 VAL A 69 1.546 4.140 -5.878 1.00 0.00 C ATOM 0 H VAL A 69 1.312 1.826 -4.744 1.00 0.00 H new ATOM 0 HA VAL A 69 3.195 2.122 -6.760 1.00 0.00 H new ATOM 0 HB VAL A 69 2.826 3.760 -4.218 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.801 5.609 -5.516 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.946 4.259 -5.324 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.099 4.494 -6.871 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.371 5.181 -5.606 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.567 4.047 -6.964 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.744 3.520 -5.476 1.00 0.00 H new ATOM 1012 N LEU A 70 4.431 1.186 -3.892 1.00 0.00 N ATOM 1013 CA LEU A 70 5.637 0.729 -3.211 1.00 0.00 C ATOM 1014 C LEU A 70 5.774 -0.788 -3.304 1.00 0.00 C ATOM 1015 O LEU A 70 6.881 -1.324 -3.288 1.00 0.00 O ATOM 1016 CB LEU A 70 5.612 1.160 -1.743 1.00 0.00 C ATOM 1017 CG LEU A 70 5.039 2.549 -1.462 1.00 0.00 C ATOM 1018 CD1 LEU A 70 4.437 2.606 -0.067 1.00 0.00 C ATOM 1019 CD2 LEU A 70 6.115 3.613 -1.624 1.00 0.00 C ATOM 0 H LEU A 70 3.565 1.005 -3.384 1.00 0.00 H new ATOM 0 HA LEU A 70 6.496 1.184 -3.703 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.032 0.429 -1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.631 1.124 -1.357 1.00 0.00 H new ATOM 0 HG LEU A 70 4.248 2.747 -2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.034 3.602 0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.637 1.871 0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.208 2.386 0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.689 4.595 -1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.928 3.418 -0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.500 3.589 -2.644 1.00 0.00 H new ATOM 1031 N GLY A 71 4.639 -1.474 -3.405 1.00 0.00 N ATOM 1032 CA GLY A 71 4.654 -2.922 -3.502 1.00 0.00 C ATOM 1033 C GLY A 71 5.755 -3.430 -4.411 1.00 0.00 C ATOM 1034 O GLY A 71 6.270 -4.532 -4.218 1.00 0.00 O ATOM 0 H GLY A 71 3.710 -1.053 -3.421 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.783 -3.348 -2.507 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.690 -3.268 -3.875 1.00 0.00 H new ATOM 1038 N SER A 72 6.117 -2.627 -5.406 1.00 0.00 N ATOM 1039 CA SER A 72 7.161 -3.004 -6.352 1.00 0.00 C ATOM 1040 C SER A 72 8.312 -2.004 -6.319 1.00 0.00 C ATOM 1041 O SER A 72 8.096 -0.793 -6.296 1.00 0.00 O ATOM 1042 CB SER A 72 6.587 -3.093 -7.768 1.00 0.00 C ATOM 1043 OG SER A 72 5.788 -4.253 -7.923 1.00 0.00 O ATOM 0 H SER A 72 5.703 -1.711 -5.578 1.00 0.00 H new ATOM 0 HA SER A 72 7.545 -3.982 -6.061 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.990 -2.206 -7.978 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.401 -3.109 -8.493 1.00 0.00 H new ATOM 0 HG SER A 72 5.432 -4.285 -8.835 1.00 0.00 H new ATOM 1049 N ALA A 73 9.537 -2.520 -6.317 1.00 0.00 N ATOM 1050 CA ALA A 73 10.723 -1.673 -6.289 1.00 0.00 C ATOM 1051 C ALA A 73 10.682 -0.635 -7.404 1.00 0.00 C ATOM 1052 O ALA A 73 10.677 0.570 -7.146 1.00 0.00 O ATOM 1053 CB ALA A 73 11.980 -2.523 -6.401 1.00 0.00 C ATOM 0 H ALA A 73 9.734 -3.521 -6.334 1.00 0.00 H new ATOM 0 HA ALA A 73 10.740 -1.143 -5.337 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.858 -1.878 -6.379 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.022 -3.222 -5.566 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.961 -3.078 -7.339 1.00 0.00 H new ATOM 1059 N THR A 74 10.655 -1.107 -8.646 1.00 0.00 N ATOM 1060 CA THR A 74 10.617 -0.220 -9.802 1.00 0.00 C ATOM 1061 C THR A 74 9.811 1.039 -9.501 1.00 0.00 C ATOM 1062 O THR A 74 10.373 2.123 -9.335 1.00 0.00 O ATOM 1063 CB THR A 74 10.010 -0.923 -11.031 1.00 0.00 C ATOM 1064 OG1 THR A 74 10.815 -2.049 -11.398 1.00 0.00 O ATOM 1065 CG2 THR A 74 9.906 0.037 -12.206 1.00 0.00 C ATOM 0 H THR A 74 10.659 -2.100 -8.877 1.00 0.00 H new ATOM 0 HA THR A 74 11.648 0.055 -10.024 1.00 0.00 H new ATOM 0 HB THR A 74 9.008 -1.263 -10.770 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.422 -2.492 -12.179 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.475 -0.481 -13.062 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.269 0.879 -11.933 1.00 0.00 H new ATOM 0 HG23 THR A 74 10.899 0.403 -12.466 1.00 0.00 H new ATOM 1073 N LEU A 75 8.493 0.890 -9.433 1.00 0.00 N ATOM 1074 CA LEU A 75 7.609 2.016 -9.152 1.00 0.00 C ATOM 1075 C LEU A 75 8.257 2.984 -8.167 1.00 0.00 C ATOM 1076 O LEU A 75 8.438 4.164 -8.469 1.00 0.00 O ATOM 1077 CB LEU A 75 6.277 1.516 -8.591 1.00 0.00 C ATOM 1078 CG LEU A 75 5.664 0.305 -9.296 1.00 0.00 C ATOM 1079 CD1 LEU A 75 4.248 0.058 -8.798 1.00 0.00 C ATOM 1080 CD2 LEU A 75 5.673 0.505 -10.804 1.00 0.00 C ATOM 0 H LEU A 75 8.013 0.001 -9.569 1.00 0.00 H new ATOM 0 HA LEU A 75 7.427 2.545 -10.087 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.419 1.266 -7.540 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.559 2.335 -8.629 1.00 0.00 H new ATOM 0 HG LEU A 75 6.268 -0.572 -9.062 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.828 -0.807 -9.311 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.267 -0.130 -7.725 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.633 0.934 -9.002 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.233 -0.366 -11.289 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.093 1.393 -11.057 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.699 0.632 -11.148 1.00 0.00 H new ATOM 1092 N ARG A 76 8.606 2.477 -6.989 1.00 0.00 N ATOM 1093 CA ARG A 76 9.235 3.296 -5.961 1.00 0.00 C ATOM 1094 C ARG A 76 10.276 4.231 -6.571 1.00 0.00 C ATOM 1095 O ARG A 76 10.247 5.441 -6.344 1.00 0.00 O ATOM 1096 CB ARG A 76 9.891 2.408 -4.901 1.00 0.00 C ATOM 1097 CG ARG A 76 9.943 3.044 -3.522 1.00 0.00 C ATOM 1098 CD ARG A 76 11.114 2.515 -2.709 1.00 0.00 C ATOM 1099 NE ARG A 76 11.047 1.067 -2.530 1.00 0.00 N ATOM 1100 CZ ARG A 76 12.103 0.312 -2.247 1.00 0.00 C ATOM 1101 NH1 ARG A 76 13.300 0.865 -2.111 1.00 0.00 N ATOM 1102 NH2 ARG A 76 11.961 -0.999 -2.098 1.00 0.00 N ATOM 0 H ARG A 76 8.464 1.503 -6.723 1.00 0.00 H new ATOM 0 HA ARG A 76 8.460 3.901 -5.490 1.00 0.00 H new ATOM 0 HB2 ARG A 76 9.344 1.467 -4.838 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.905 2.166 -5.219 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.027 4.126 -3.622 1.00 0.00 H new ATOM 0 HG3 ARG A 76 9.011 2.844 -2.993 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.048 2.776 -3.207 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.126 3.001 -1.733 1.00 0.00 H new ATOM 0 HE ARG A 76 10.140 0.611 -2.628 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.412 1.873 -2.224 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.109 0.283 -1.894 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.041 -1.427 -2.201 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.772 -1.578 -1.881 1.00 0.00 H new ATOM 1116 N ARG A 77 11.193 3.661 -7.346 1.00 0.00 N ATOM 1117 CA ARG A 77 12.244 4.443 -7.987 1.00 0.00 C ATOM 1118 C ARG A 77 11.649 5.465 -8.952 1.00 0.00 C ATOM 1119 O ARG A 77 12.179 6.564 -9.114 1.00 0.00 O ATOM 1120 CB ARG A 77 13.210 3.522 -8.734 1.00 0.00 C ATOM 1121 CG ARG A 77 14.303 2.941 -7.852 1.00 0.00 C ATOM 1122 CD ARG A 77 13.764 1.846 -6.946 1.00 0.00 C ATOM 1123 NE ARG A 77 14.833 1.140 -6.245 1.00 0.00 N ATOM 1124 CZ ARG A 77 14.622 0.298 -5.239 1.00 0.00 C ATOM 1125 NH1 ARG A 77 13.387 0.060 -4.818 1.00 0.00 N ATOM 1126 NH2 ARG A 77 15.647 -0.306 -4.652 1.00 0.00 N ATOM 0 H ARG A 77 11.230 2.661 -7.545 1.00 0.00 H new ATOM 0 HA ARG A 77 12.790 4.978 -7.210 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.645 2.705 -9.184 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.671 4.078 -9.550 1.00 0.00 H new ATOM 0 HG2 ARG A 77 15.100 2.538 -8.477 1.00 0.00 H new ATOM 0 HG3 ARG A 77 14.742 3.733 -7.246 1.00 0.00 H new ATOM 0 HD2 ARG A 77 13.080 2.282 -6.218 1.00 0.00 H new ATOM 0 HD3 ARG A 77 13.188 1.135 -7.539 1.00 0.00 H new ATOM 0 HE ARG A 77 15.795 1.302 -6.544 1.00 0.00 H new ATOM 0 HH11 ARG A 77 12.597 0.524 -5.267 1.00 0.00 H new ATOM 0 HH12 ARG A 77 13.227 -0.587 -4.046 1.00 0.00 H new ATOM 0 HH21 ARG A 77 16.598 -0.124 -4.973 1.00 0.00 H new ATOM 0 HH22 ARG A 77 15.484 -0.952 -3.880 1.00 0.00 H new ATOM 1140 N LYS A 78 10.545 5.094 -9.591 1.00 0.00 N ATOM 1141 CA LYS A 78 9.876 5.977 -10.540 1.00 0.00 C ATOM 1142 C LYS A 78 9.354 7.229 -9.843 1.00 0.00 C ATOM 1143 O LYS A 78 9.807 8.340 -10.120 1.00 0.00 O ATOM 1144 CB LYS A 78 8.721 5.242 -11.225 1.00 0.00 C ATOM 1145 CG LYS A 78 9.145 3.965 -11.928 1.00 0.00 C ATOM 1146 CD LYS A 78 7.993 3.346 -12.702 1.00 0.00 C ATOM 1147 CE LYS A 78 7.899 3.912 -14.110 1.00 0.00 C ATOM 1148 NZ LYS A 78 7.122 3.021 -15.015 1.00 0.00 N ATOM 0 H LYS A 78 10.094 4.187 -9.469 1.00 0.00 H new ATOM 0 HA LYS A 78 10.604 6.279 -11.293 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.962 5.002 -10.481 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.256 5.909 -11.951 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.968 4.180 -12.609 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.517 3.250 -11.194 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.126 2.265 -12.751 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.058 3.528 -12.172 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.428 4.895 -14.076 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.902 4.053 -14.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.329 3.266 -16.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.388 2.031 -14.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.105 3.143 -14.833 1.00 0.00 H new ATOM 1162 N TYR A 79 8.400 7.042 -8.937 1.00 0.00 N ATOM 1163 CA TYR A 79 7.816 8.157 -8.201 1.00 0.00 C ATOM 1164 C TYR A 79 8.904 9.067 -7.637 1.00 0.00 C ATOM 1165 O TYR A 79 8.770 10.291 -7.645 1.00 0.00 O ATOM 1166 CB TYR A 79 6.931 7.639 -7.067 1.00 0.00 C ATOM 1167 CG TYR A 79 6.082 8.712 -6.423 1.00 0.00 C ATOM 1168 CD1 TYR A 79 4.955 9.211 -7.064 1.00 0.00 C ATOM 1169 CD2 TYR A 79 6.408 9.227 -5.174 1.00 0.00 C ATOM 1170 CE1 TYR A 79 4.177 10.192 -6.479 1.00 0.00 C ATOM 1171 CE2 TYR A 79 5.634 10.206 -4.582 1.00 0.00 C ATOM 1172 CZ TYR A 79 4.520 10.686 -5.238 1.00 0.00 C ATOM 1173 OH TYR A 79 3.748 11.663 -4.652 1.00 0.00 O ATOM 0 H TYR A 79 8.015 6.129 -8.695 1.00 0.00 H new ATOM 0 HA TYR A 79 7.206 8.736 -8.894 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.279 6.856 -7.455 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.562 7.181 -6.305 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.682 8.826 -8.035 1.00 0.00 H new ATOM 0 HD2 TYR A 79 7.281 8.856 -4.658 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.305 10.570 -6.991 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.900 10.594 -3.610 1.00 0.00 H new ATOM 0 HH TYR A 79 4.126 11.899 -3.779 1.00 0.00 H new ATOM 1183 N ASP A 80 9.980 8.460 -7.150 1.00 0.00 N ATOM 1184 CA ASP A 80 11.093 9.213 -6.584 1.00 0.00 C ATOM 1185 C ASP A 80 11.473 10.382 -7.487 1.00 0.00 C ATOM 1186 O ASP A 80 11.491 11.534 -7.054 1.00 0.00 O ATOM 1187 CB ASP A 80 12.301 8.300 -6.374 1.00 0.00 C ATOM 1188 CG ASP A 80 13.400 8.968 -5.572 1.00 0.00 C ATOM 1189 OD1 ASP A 80 13.074 9.691 -4.607 1.00 0.00 O ATOM 1190 OD2 ASP A 80 14.586 8.769 -5.908 1.00 0.00 O ATOM 0 H ASP A 80 10.105 7.448 -7.136 1.00 0.00 H new ATOM 0 HA ASP A 80 10.777 9.610 -5.619 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.982 7.392 -5.862 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.696 7.997 -7.343 1.00 0.00 H new ATOM 1195 N ARG A 81 11.777 10.077 -8.744 1.00 0.00 N ATOM 1196 CA ARG A 81 12.160 11.102 -9.708 1.00 0.00 C ATOM 1197 C ARG A 81 10.927 11.786 -10.293 1.00 0.00 C ATOM 1198 O ARG A 81 11.025 12.852 -10.898 1.00 0.00 O ATOM 1199 CB ARG A 81 12.997 10.488 -10.832 1.00 0.00 C ATOM 1200 CG ARG A 81 13.834 9.299 -10.389 1.00 0.00 C ATOM 1201 CD ARG A 81 14.720 9.653 -9.205 1.00 0.00 C ATOM 1202 NE ARG A 81 15.747 10.628 -9.562 1.00 0.00 N ATOM 1203 CZ ARG A 81 16.812 10.883 -8.810 1.00 0.00 C ATOM 1204 NH1 ARG A 81 16.989 10.238 -7.665 1.00 0.00 N ATOM 1205 NH2 ARG A 81 17.703 11.784 -9.203 1.00 0.00 N ATOM 0 H ARG A 81 11.766 9.128 -9.119 1.00 0.00 H new ATOM 0 HA ARG A 81 12.757 11.850 -9.187 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.333 10.174 -11.638 1.00 0.00 H new ATOM 0 HB3 ARG A 81 13.656 11.253 -11.242 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.178 8.471 -10.120 1.00 0.00 H new ATOM 0 HG3 ARG A 81 14.453 8.959 -11.219 1.00 0.00 H new ATOM 0 HD2 ARG A 81 14.105 10.053 -8.399 1.00 0.00 H new ATOM 0 HD3 ARG A 81 15.195 8.749 -8.825 1.00 0.00 H new ATOM 0 HE ARG A 81 15.641 11.141 -10.437 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.307 9.544 -7.360 1.00 0.00 H new ATOM 0 HH12 ARG A 81 17.808 10.436 -7.090 1.00 0.00 H new ATOM 0 HH21 ARG A 81 17.571 12.282 -10.083 1.00 0.00 H new ATOM 0 HH22 ARG A 81 18.520 11.979 -8.625 1.00 0.00 H new ATOM 1219 N GLY A 82 9.767 11.163 -10.107 1.00 0.00 N ATOM 1220 CA GLY A 82 8.533 11.726 -10.622 1.00 0.00 C ATOM 1221 C GLY A 82 8.145 11.141 -11.965 1.00 0.00 C ATOM 1222 O GLY A 82 7.408 11.762 -12.732 1.00 0.00 O ATOM 0 H GLY A 82 9.660 10.279 -9.609 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.730 11.549 -9.906 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.642 12.806 -10.718 1.00 0.00 H new ATOM 1226 N LEU A 83 8.643 9.944 -12.254 1.00 0.00 N ATOM 1227 CA LEU A 83 8.346 9.275 -13.516 1.00 0.00 C ATOM 1228 C LEU A 83 6.994 8.572 -13.454 1.00 0.00 C ATOM 1229 O LEU A 83 6.392 8.271 -14.486 1.00 0.00 O ATOM 1230 CB LEU A 83 9.445 8.264 -13.851 1.00 0.00 C ATOM 1231 CG LEU A 83 10.877 8.799 -13.832 1.00 0.00 C ATOM 1232 CD1 LEU A 83 11.853 7.697 -13.449 1.00 0.00 C ATOM 1233 CD2 LEU A 83 11.243 9.391 -15.185 1.00 0.00 C ATOM 0 H LEU A 83 9.255 9.416 -11.631 1.00 0.00 H new ATOM 0 HA LEU A 83 8.306 10.032 -14.300 1.00 0.00 H new ATOM 0 HB2 LEU A 83 9.378 7.437 -13.144 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.245 7.854 -14.841 1.00 0.00 H new ATOM 0 HG LEU A 83 10.940 9.589 -13.083 1.00 0.00 H new ATOM 0 HD11 LEU A 83 12.867 8.096 -13.441 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.604 7.319 -12.458 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.788 6.886 -14.174 1.00 0.00 H new ATOM 0 HD21 LEU A 83 12.266 9.767 -15.153 1.00 0.00 H new ATOM 0 HD22 LEU A 83 11.163 8.621 -15.953 1.00 0.00 H new ATOM 0 HD23 LEU A 83 10.563 10.210 -15.420 1.00 0.00 H new ATOM 1245 N LEU A 84 6.521 8.316 -12.240 1.00 0.00 N ATOM 1246 CA LEU A 84 5.238 7.650 -12.043 1.00 0.00 C ATOM 1247 C LEU A 84 4.087 8.539 -12.506 1.00 0.00 C ATOM 1248 O LEU A 84 3.944 9.673 -12.050 1.00 0.00 O ATOM 1249 CB LEU A 84 5.052 7.282 -10.570 1.00 0.00 C ATOM 1250 CG LEU A 84 3.920 6.301 -10.261 1.00 0.00 C ATOM 1251 CD1 LEU A 84 4.397 4.867 -10.425 1.00 0.00 C ATOM 1252 CD2 LEU A 84 3.386 6.530 -8.855 1.00 0.00 C ATOM 0 H LEU A 84 7.006 8.559 -11.377 1.00 0.00 H new ATOM 0 HA LEU A 84 5.234 6.739 -12.642 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.985 6.856 -10.202 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.876 8.198 -10.007 1.00 0.00 H new ATOM 0 HG LEU A 84 3.110 6.476 -10.969 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.578 4.183 -10.201 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.731 4.710 -11.451 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.225 4.678 -9.741 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.581 5.823 -8.652 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.189 6.383 -8.132 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.005 7.548 -8.772 1.00 0.00 H new ATOM 1264 N SER A 85 3.269 8.014 -13.412 1.00 0.00 N ATOM 1265 CA SER A 85 2.131 8.760 -13.937 1.00 0.00 C ATOM 1266 C SER A 85 0.824 8.021 -13.664 1.00 0.00 C ATOM 1267 O SER A 85 0.813 6.804 -13.481 1.00 0.00 O ATOM 1268 CB SER A 85 2.296 8.990 -15.441 1.00 0.00 C ATOM 1269 OG SER A 85 1.427 10.012 -15.899 1.00 0.00 O ATOM 0 H SER A 85 3.373 7.075 -13.798 1.00 0.00 H new ATOM 0 HA SER A 85 2.095 9.725 -13.431 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.329 9.262 -15.659 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.089 8.065 -15.978 1.00 0.00 H new ATOM 0 HG SER A 85 1.553 10.141 -16.862 1.00 0.00 H new ATOM 1275 N ASP A 86 -0.275 8.767 -13.639 1.00 0.00 N ATOM 1276 CA ASP A 86 -1.588 8.184 -13.389 1.00 0.00 C ATOM 1277 C ASP A 86 -1.703 6.807 -14.035 1.00 0.00 C ATOM 1278 O ASP A 86 -2.146 5.849 -13.401 1.00 0.00 O ATOM 1279 CB ASP A 86 -2.687 9.104 -13.923 1.00 0.00 C ATOM 1280 CG ASP A 86 -2.730 10.435 -13.198 1.00 0.00 C ATOM 1281 OD1 ASP A 86 -2.902 10.433 -11.961 1.00 0.00 O ATOM 1282 OD2 ASP A 86 -2.591 11.480 -13.869 1.00 0.00 O ATOM 0 H ASP A 86 -0.283 9.776 -13.789 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.710 8.072 -12.312 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -2.526 9.278 -14.987 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -3.652 8.608 -13.824 1.00 0.00 H new ATOM 1287 N GLU A 87 -1.303 6.716 -15.299 1.00 0.00 N ATOM 1288 CA GLU A 87 -1.363 5.456 -16.030 1.00 0.00 C ATOM 1289 C GLU A 87 -0.936 4.290 -15.142 1.00 0.00 C ATOM 1290 O GLU A 87 -1.641 3.287 -15.034 1.00 0.00 O ATOM 1291 CB GLU A 87 -0.472 5.518 -17.272 1.00 0.00 C ATOM 1292 CG GLU A 87 -0.449 4.225 -18.070 1.00 0.00 C ATOM 1293 CD GLU A 87 0.033 4.426 -19.494 1.00 0.00 C ATOM 1294 OE1 GLU A 87 1.235 4.711 -19.679 1.00 0.00 O ATOM 1295 OE2 GLU A 87 -0.791 4.298 -20.423 1.00 0.00 O ATOM 0 H GLU A 87 -0.934 7.499 -15.838 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.395 5.295 -16.340 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.817 6.327 -17.916 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.545 5.765 -16.967 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.199 3.505 -17.570 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.450 3.795 -18.087 1.00 0.00 H new ATOM 1302 N ASP A 88 0.223 4.431 -14.509 1.00 0.00 N ATOM 1303 CA ASP A 88 0.745 3.392 -13.629 1.00 0.00 C ATOM 1304 C ASP A 88 -0.244 3.078 -12.511 1.00 0.00 C ATOM 1305 O ASP A 88 -0.557 1.915 -12.253 1.00 0.00 O ATOM 1306 CB ASP A 88 2.086 3.824 -13.034 1.00 0.00 C ATOM 1307 CG ASP A 88 3.078 4.257 -14.095 1.00 0.00 C ATOM 1308 OD1 ASP A 88 2.954 5.395 -14.593 1.00 0.00 O ATOM 1309 OD2 ASP A 88 3.979 3.458 -14.428 1.00 0.00 O ATOM 0 H ASP A 88 0.819 5.255 -14.589 1.00 0.00 H new ATOM 0 HA ASP A 88 0.893 2.490 -14.222 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.923 4.646 -12.337 1.00 0.00 H new ATOM 0 HB3 ASP A 88 2.509 2.999 -12.461 1.00 0.00 H new ATOM 1314 N LEU A 89 -0.733 4.122 -11.851 1.00 0.00 N ATOM 1315 CA LEU A 89 -1.687 3.958 -10.760 1.00 0.00 C ATOM 1316 C LEU A 89 -2.841 3.050 -11.176 1.00 0.00 C ATOM 1317 O LEU A 89 -3.106 2.033 -10.535 1.00 0.00 O ATOM 1318 CB LEU A 89 -2.228 5.320 -10.320 1.00 0.00 C ATOM 1319 CG LEU A 89 -1.247 6.220 -9.569 1.00 0.00 C ATOM 1320 CD1 LEU A 89 -1.720 7.666 -9.598 1.00 0.00 C ATOM 1321 CD2 LEU A 89 -1.075 5.742 -8.134 1.00 0.00 C ATOM 0 H LEU A 89 -0.485 5.091 -12.052 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.167 3.493 -9.923 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.576 5.854 -11.205 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.098 5.155 -9.685 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.279 6.165 -10.067 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.009 8.292 -9.059 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.791 8.005 -10.632 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.699 7.738 -9.125 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.373 6.395 -7.615 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.038 5.766 -7.624 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.690 4.722 -8.134 1.00 0.00 H new ATOM 1333 N ARG A 90 -3.521 3.424 -12.254 1.00 0.00 N ATOM 1334 CA ARG A 90 -4.646 2.644 -12.757 1.00 0.00 C ATOM 1335 C ARG A 90 -4.171 1.308 -13.321 1.00 0.00 C ATOM 1336 O ARG A 90 -4.919 0.331 -13.345 1.00 0.00 O ATOM 1337 CB ARG A 90 -5.396 3.427 -13.836 1.00 0.00 C ATOM 1338 CG ARG A 90 -4.620 3.569 -15.135 1.00 0.00 C ATOM 1339 CD ARG A 90 -5.553 3.680 -16.332 1.00 0.00 C ATOM 1340 NE ARG A 90 -6.054 5.040 -16.512 1.00 0.00 N ATOM 1341 CZ ARG A 90 -5.391 5.986 -17.167 1.00 0.00 C ATOM 1342 NH1 ARG A 90 -4.207 5.722 -17.701 1.00 0.00 N ATOM 1343 NH2 ARG A 90 -5.912 7.200 -17.288 1.00 0.00 N ATOM 0 H ARG A 90 -3.313 4.262 -12.796 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.322 2.449 -11.924 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.344 2.930 -14.041 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.633 4.420 -13.454 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.983 4.452 -15.085 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.962 2.709 -15.263 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.026 3.366 -17.233 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.394 2.999 -16.201 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.963 5.276 -16.113 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.803 4.790 -17.609 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.700 6.451 -18.204 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.823 7.407 -16.878 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.402 7.926 -17.791 1.00 0.00 H new ATOM 1357 N GLY A 91 -2.921 1.273 -13.774 1.00 0.00 N ATOM 1358 CA GLY A 91 -2.368 0.052 -14.332 1.00 0.00 C ATOM 1359 C GLY A 91 -1.548 0.306 -15.581 1.00 0.00 C ATOM 1360 O GLY A 91 -1.827 1.219 -16.358 1.00 0.00 O ATOM 0 H GLY A 91 -2.282 2.068 -13.765 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.743 -0.436 -13.584 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.180 -0.637 -14.567 1.00 0.00 H new ATOM 1364 N PRO A 92 -0.508 -0.516 -15.787 1.00 0.00 N ATOM 1365 CA PRO A 92 0.378 -0.395 -16.949 1.00 0.00 C ATOM 1366 C PRO A 92 -0.315 -0.788 -18.249 1.00 0.00 C ATOM 1367 O PRO A 92 -0.194 -0.098 -19.261 1.00 0.00 O ATOM 1368 CB PRO A 92 1.513 -1.372 -16.632 1.00 0.00 C ATOM 1369 CG PRO A 92 0.905 -2.374 -15.712 1.00 0.00 C ATOM 1370 CD PRO A 92 -0.117 -1.626 -14.902 1.00 0.00 C ATOM 0 HA PRO A 92 0.711 0.631 -17.103 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.892 -1.845 -17.538 1.00 0.00 H new ATOM 0 HB3 PRO A 92 2.354 -0.862 -16.162 1.00 0.00 H new ATOM 0 HG2 PRO A 92 0.441 -3.186 -16.271 1.00 0.00 H new ATOM 0 HG3 PRO A 92 1.662 -2.822 -15.068 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -0.969 -2.257 -14.648 1.00 0.00 H new ATOM 0 HD3 PRO A 92 0.302 -1.263 -13.963 1.00 0.00 H new ATOM 1378 N GLY A 93 -1.042 -1.900 -18.215 1.00 0.00 N ATOM 1379 CA GLY A 93 -1.744 -2.364 -19.397 1.00 0.00 C ATOM 1380 C GLY A 93 -1.737 -3.875 -19.520 1.00 0.00 C ATOM 1381 O GLY A 93 -1.101 -4.429 -20.416 1.00 0.00 O ATOM 0 H GLY A 93 -1.157 -2.488 -17.390 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.774 -2.010 -19.366 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.284 -1.928 -20.284 1.00 0.00 H new ATOM 1385 N SER A 94 -2.446 -4.544 -18.616 1.00 0.00 N ATOM 1386 CA SER A 94 -2.514 -6.001 -18.623 1.00 0.00 C ATOM 1387 C SER A 94 -3.910 -6.477 -19.013 1.00 0.00 C ATOM 1388 O SER A 94 -4.852 -5.687 -19.079 1.00 0.00 O ATOM 1389 CB SER A 94 -2.139 -6.557 -17.248 1.00 0.00 C ATOM 1390 OG SER A 94 -0.746 -6.444 -17.015 1.00 0.00 O ATOM 0 H SER A 94 -2.981 -4.100 -17.870 1.00 0.00 H new ATOM 0 HA SER A 94 -1.803 -6.370 -19.362 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.685 -6.019 -16.473 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.438 -7.603 -17.181 1.00 0.00 H new ATOM 0 HG SER A 94 -0.532 -6.805 -16.129 1.00 0.00 H new ATOM 1396 N GLY A 95 -4.036 -7.775 -19.272 1.00 0.00 N ATOM 1397 CA GLY A 95 -5.319 -8.335 -19.653 1.00 0.00 C ATOM 1398 C GLY A 95 -6.174 -8.693 -18.454 1.00 0.00 C ATOM 1399 O GLY A 95 -5.962 -8.202 -17.344 1.00 0.00 O ATOM 0 H GLY A 95 -3.272 -8.449 -19.225 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -5.854 -7.618 -20.276 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.157 -9.226 -20.259 1.00 0.00 H new ATOM 1403 N PRO A 96 -7.169 -9.566 -18.671 1.00 0.00 N ATOM 1404 CA PRO A 96 -8.080 -10.007 -17.611 1.00 0.00 C ATOM 1405 C PRO A 96 -7.389 -10.899 -16.586 1.00 0.00 C ATOM 1406 O PRO A 96 -6.238 -11.295 -16.769 1.00 0.00 O ATOM 1407 CB PRO A 96 -9.152 -10.794 -18.369 1.00 0.00 C ATOM 1408 CG PRO A 96 -8.471 -11.263 -19.609 1.00 0.00 C ATOM 1409 CD PRO A 96 -7.480 -10.190 -19.967 1.00 0.00 C ATOM 0 HA PRO A 96 -8.474 -9.168 -17.037 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -9.520 -11.633 -17.778 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -10.012 -10.167 -18.603 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.971 -12.217 -19.443 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -9.189 -11.416 -20.415 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.589 -10.607 -20.436 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -7.903 -9.470 -20.668 1.00 0.00 H new ATOM 1417 N SER A 97 -8.098 -11.213 -15.506 1.00 0.00 N ATOM 1418 CA SER A 97 -7.551 -12.056 -14.450 1.00 0.00 C ATOM 1419 C SER A 97 -6.969 -13.343 -15.029 1.00 0.00 C ATOM 1420 O SER A 97 -7.485 -13.886 -16.005 1.00 0.00 O ATOM 1421 CB SER A 97 -8.634 -12.390 -13.422 1.00 0.00 C ATOM 1422 OG SER A 97 -8.827 -11.317 -12.518 1.00 0.00 O ATOM 0 H SER A 97 -9.053 -10.896 -15.340 1.00 0.00 H new ATOM 0 HA SER A 97 -6.750 -11.505 -13.957 1.00 0.00 H new ATOM 0 HB2 SER A 97 -9.570 -12.611 -13.934 1.00 0.00 H new ATOM 0 HB3 SER A 97 -8.353 -13.288 -12.871 1.00 0.00 H new ATOM 0 HG SER A 97 -9.525 -11.555 -11.873 1.00 0.00 H new ATOM 1428 N SER A 98 -5.891 -13.824 -14.419 1.00 0.00 N ATOM 1429 CA SER A 98 -5.235 -15.044 -14.874 1.00 0.00 C ATOM 1430 C SER A 98 -5.191 -16.086 -13.760 1.00 0.00 C ATOM 1431 O SER A 98 -4.621 -15.849 -12.696 1.00 0.00 O ATOM 1432 CB SER A 98 -3.817 -14.736 -15.357 1.00 0.00 C ATOM 1433 OG SER A 98 -2.940 -14.527 -14.264 1.00 0.00 O ATOM 0 H SER A 98 -5.453 -13.387 -13.608 1.00 0.00 H new ATOM 0 HA SER A 98 -5.813 -15.450 -15.704 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.451 -15.561 -15.969 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.830 -13.850 -15.991 1.00 0.00 H new ATOM 0 HG SER A 98 -3.396 -14.762 -13.429 1.00 0.00 H new ATOM 1439 N GLY A 99 -5.798 -17.241 -14.014 1.00 0.00 N ATOM 1440 CA GLY A 99 -5.817 -18.302 -13.024 1.00 0.00 C ATOM 1441 C GLY A 99 -4.819 -19.401 -13.333 1.00 0.00 C ATOM 1442 O GLY A 99 -5.197 -20.484 -13.781 1.00 0.00 O ATOM 0 H GLY A 99 -6.277 -17.461 -14.887 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.598 -17.882 -12.042 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.819 -18.729 -12.972 1.00 0.00 H new TER 1446 GLY A 99