USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 658 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 SER N :NH3+ -111:sc= 0.0386 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl -164:sc= -0.0668 (180deg=-0.419) USER MOD Single : A 4 SER OG : rot 50:sc= 0.348 USER MOD Single : A 5 ASN : amide:sc= -0.218 K(o=-0.22,f=-2.2) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000329) USER MOD Single : A 9 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0112) USER MOD Single : A 12 ASN : amide:sc= 0.313 K(o=0.31,f=-4.5!) USER MOD Single : A 14 THR OG1 : rot -42:sc= 0.611 USER MOD Single : A 15 THR OG1 : rot 150:sc= 0.351 USER MOD Single : A 17 THR OG1 : rot -160:sc= -0.727 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -106:sc= 0.291 USER MOD Single : A 20 GLN : amide:sc= 0.859 K(o=0.86,f=-3.5!) USER MOD Single : A 26 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0431) USER MOD Single : A 29 GLN : amide:sc= 0.269 K(o=0.27,f=-0.23) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -122:sc= 0.439 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0149 X(o=-0.015,f=-0.41) USER MOD Single : A 44 MET CE :methyl 166:sc= -0.0287 (180deg=-0.292) USER MOD Single : A 46 THR OG1 : rot -73:sc= 1.06 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 59 ASN : amide:sc= 0.675 K(o=0.67,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -134:sc= -1.22 (180deg=-4.4!) USER MOD Single : A 66 LYS NZ :NH3+ 173:sc=-0.00939 (180deg=-0.0942) USER MOD Single : A 72 GLN : amide:sc= -0.103 K(o=-0.1,f=-0.61) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0.44 K(o=0.44,f=-2.7!) USER MOD Single : A 75 GLN : amide:sc= -0.0112 K(o=-0.011,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 10.775 5.094 -42.045 1.00 50.11 N ATOM 2 CA SER A 1 11.220 5.385 -40.648 1.00 61.53 C ATOM 3 C SER A 1 10.216 4.828 -39.613 1.00 1.42 C ATOM 4 O SER A 1 9.038 4.632 -39.923 1.00 4.30 O ATOM 5 CB SER A 1 11.404 6.908 -40.446 1.00 41.11 C ATOM 6 OG SER A 1 11.854 7.214 -39.131 1.00 23.00 O ATOM 0 H1 SER A 1 11.416 4.397 -42.475 1.00 50.11 H new ATOM 0 H2 SER A 1 9.808 4.712 -42.029 1.00 50.11 H new ATOM 0 H3 SER A 1 10.791 5.971 -42.604 1.00 50.11 H new ATOM 0 HA SER A 1 12.178 4.889 -40.492 1.00 61.53 H new ATOM 0 HB2 SER A 1 12.121 7.288 -41.174 1.00 41.11 H new ATOM 0 HB3 SER A 1 10.459 7.417 -40.635 1.00 41.11 H new ATOM 0 HG SER A 1 11.961 8.184 -39.039 1.00 23.00 H new ATOM 14 N HIS A 2 10.699 4.573 -38.379 1.00 31.44 N ATOM 15 CA HIS A 2 9.866 4.080 -37.250 1.00 65.33 C ATOM 16 C HIS A 2 10.138 4.908 -35.970 1.00 52.42 C ATOM 17 O HIS A 2 11.293 5.188 -35.636 1.00 11.32 O ATOM 18 CB HIS A 2 10.142 2.576 -36.963 1.00 13.22 C ATOM 19 CG HIS A 2 9.678 1.629 -38.044 1.00 54.34 C ATOM 20 ND1 HIS A 2 8.362 1.231 -38.172 1.00 3.51 N ATOM 21 CD2 HIS A 2 10.353 0.984 -39.033 1.00 75.52 C ATOM 22 CE1 HIS A 2 8.250 0.389 -39.181 1.00 45.24 C ATOM 23 NE2 HIS A 2 9.440 0.221 -39.720 1.00 22.51 N ATOM 0 H HIS A 2 11.680 4.702 -38.132 1.00 31.44 H new ATOM 0 HA HIS A 2 8.821 4.195 -37.538 1.00 65.33 H new ATOM 0 HB2 HIS A 2 11.213 2.440 -36.815 1.00 13.22 H new ATOM 0 HB3 HIS A 2 9.654 2.304 -36.027 1.00 13.22 H new ATOM 0 HD2 HIS A 2 11.410 1.058 -39.240 1.00 75.52 H new ATOM 0 HE1 HIS A 2 7.336 -0.083 -39.510 1.00 45.24 H new ATOM 0 HE2 HIS A 2 9.650 -0.378 -40.518 1.00 22.51 H new ATOM 32 N MET A 3 9.060 5.295 -35.266 1.00 42.20 N ATOM 33 CA MET A 3 9.141 6.003 -33.968 1.00 14.52 C ATOM 34 C MET A 3 9.001 5.003 -32.791 1.00 52.45 C ATOM 35 O MET A 3 8.505 3.883 -32.977 1.00 2.04 O ATOM 36 CB MET A 3 8.048 7.102 -33.913 1.00 13.31 C ATOM 37 CG MET A 3 8.195 8.179 -35.004 1.00 2.50 C ATOM 38 SD MET A 3 6.878 9.416 -34.965 1.00 12.14 S ATOM 39 CE MET A 3 5.425 8.430 -35.337 1.00 34.12 C ATOM 0 H MET A 3 8.104 5.127 -35.579 1.00 42.20 H new ATOM 0 HA MET A 3 10.117 6.479 -33.874 1.00 14.52 H new ATOM 0 HB2 MET A 3 7.069 6.633 -34.008 1.00 13.31 H new ATOM 0 HB3 MET A 3 8.078 7.582 -32.935 1.00 13.31 H new ATOM 0 HG2 MET A 3 9.157 8.678 -34.886 1.00 2.50 H new ATOM 0 HG3 MET A 3 8.204 7.698 -35.982 1.00 2.50 H new ATOM 0 HE1 MET A 3 4.603 9.087 -35.623 1.00 34.12 H new ATOM 0 HE2 MET A 3 5.648 7.749 -36.158 1.00 34.12 H new ATOM 0 HE3 MET A 3 5.140 7.855 -34.456 1.00 34.12 H new ATOM 49 N SER A 4 9.440 5.416 -31.584 1.00 74.31 N ATOM 50 CA SER A 4 9.487 4.528 -30.391 1.00 23.43 C ATOM 51 C SER A 4 8.086 4.304 -29.759 1.00 23.50 C ATOM 52 O SER A 4 7.748 4.920 -28.740 1.00 13.14 O ATOM 53 CB SER A 4 10.484 5.096 -29.341 1.00 2.41 C ATOM 54 OG SER A 4 10.122 6.409 -28.911 1.00 63.31 O ATOM 0 H SER A 4 9.770 6.364 -31.404 1.00 74.31 H new ATOM 0 HA SER A 4 9.836 3.551 -30.726 1.00 23.43 H new ATOM 0 HB2 SER A 4 10.520 4.430 -28.479 1.00 2.41 H new ATOM 0 HB3 SER A 4 11.486 5.119 -29.769 1.00 2.41 H new ATOM 0 HG SER A 4 9.177 6.420 -28.652 1.00 63.31 H new ATOM 60 N ASN A 5 7.272 3.432 -30.405 1.00 2.42 N ATOM 61 CA ASN A 5 5.893 3.075 -29.965 1.00 2.43 C ATOM 62 C ASN A 5 4.927 4.307 -29.947 1.00 41.22 C ATOM 63 O ASN A 5 5.342 5.451 -30.178 1.00 54.24 O ATOM 64 CB ASN A 5 5.951 2.355 -28.570 1.00 75.03 C ATOM 65 CG ASN A 5 4.660 1.631 -28.171 1.00 63.23 C ATOM 66 OD1 ASN A 5 3.893 1.186 -29.023 1.00 13.02 O ATOM 67 ND2 ASN A 5 4.407 1.514 -26.880 1.00 23.52 N ATOM 0 H ASN A 5 7.555 2.949 -31.258 1.00 2.42 H new ATOM 0 HA ASN A 5 5.474 2.386 -30.698 1.00 2.43 H new ATOM 0 HB2 ASN A 5 6.768 1.633 -28.582 1.00 75.03 H new ATOM 0 HB3 ASN A 5 6.189 3.093 -27.804 1.00 75.03 H new ATOM 0 HD21 ASN A 5 3.557 1.045 -26.567 1.00 23.52 H new ATOM 0 HD22 ASN A 5 5.062 1.893 -26.196 1.00 23.52 H new ATOM 74 N LYS A 6 3.623 4.064 -29.723 1.00 20.41 N ATOM 75 CA LYS A 6 2.634 5.144 -29.515 1.00 14.24 C ATOM 76 C LYS A 6 2.214 5.213 -28.019 1.00 3.13 C ATOM 77 O LYS A 6 1.339 4.466 -27.548 1.00 73.13 O ATOM 78 CB LYS A 6 1.433 4.969 -30.489 1.00 32.55 C ATOM 79 CG LYS A 6 0.703 3.605 -30.433 1.00 45.14 C ATOM 80 CD LYS A 6 -0.416 3.491 -31.494 1.00 33.40 C ATOM 81 CE LYS A 6 -1.490 4.592 -31.360 1.00 3.22 C ATOM 82 NZ LYS A 6 -2.449 4.565 -32.491 1.00 64.14 N ATOM 0 H LYS A 6 3.226 3.126 -29.681 1.00 20.41 H new ATOM 0 HA LYS A 6 3.085 6.108 -29.751 1.00 14.24 H new ATOM 0 HB2 LYS A 6 0.707 5.755 -30.283 1.00 32.55 H new ATOM 0 HB3 LYS A 6 1.791 5.125 -31.507 1.00 32.55 H new ATOM 0 HG2 LYS A 6 1.426 2.803 -30.583 1.00 45.14 H new ATOM 0 HG3 LYS A 6 0.274 3.466 -29.441 1.00 45.14 H new ATOM 0 HD2 LYS A 6 0.027 3.543 -32.488 1.00 33.40 H new ATOM 0 HD3 LYS A 6 -0.892 2.514 -31.408 1.00 33.40 H new ATOM 0 HE2 LYS A 6 -2.030 4.461 -30.422 1.00 3.22 H new ATOM 0 HE3 LYS A 6 -1.007 5.568 -31.316 1.00 3.22 H new ATOM 0 HZ1 LYS A 6 -3.155 5.319 -32.366 1.00 64.14 H new ATOM 0 HZ2 LYS A 6 -1.937 4.715 -33.384 1.00 64.14 H new ATOM 0 HZ3 LYS A 6 -2.929 3.643 -32.518 1.00 64.14 H new ATOM 96 N GLY A 7 2.890 6.102 -27.266 1.00 23.02 N ATOM 97 CA GLY A 7 2.673 6.247 -25.824 1.00 3.33 C ATOM 98 C GLY A 7 1.437 7.085 -25.476 1.00 53.14 C ATOM 99 O GLY A 7 1.518 8.311 -25.349 1.00 42.43 O ATOM 0 H GLY A 7 3.597 6.734 -27.643 1.00 23.02 H new ATOM 0 HA2 GLY A 7 2.569 5.258 -25.378 1.00 3.33 H new ATOM 0 HA3 GLY A 7 3.553 6.708 -25.376 1.00 3.33 H new ATOM 103 N LYS A 8 0.279 6.413 -25.332 1.00 53.02 N ATOM 104 CA LYS A 8 -0.992 7.063 -24.912 1.00 60.42 C ATOM 105 C LYS A 8 -1.246 6.889 -23.388 1.00 35.03 C ATOM 106 O LYS A 8 -2.360 7.131 -22.908 1.00 43.31 O ATOM 107 CB LYS A 8 -2.179 6.493 -25.743 1.00 30.21 C ATOM 108 CG LYS A 8 -2.493 4.991 -25.516 1.00 1.23 C ATOM 109 CD LYS A 8 -3.675 4.488 -26.383 1.00 62.31 C ATOM 110 CE LYS A 8 -4.073 3.029 -26.069 1.00 52.22 C ATOM 111 NZ LYS A 8 -2.968 2.064 -26.323 1.00 55.54 N ATOM 0 H LYS A 8 0.191 5.411 -25.501 1.00 53.02 H new ATOM 0 HA LYS A 8 -0.908 8.133 -25.104 1.00 60.42 H new ATOM 0 HB2 LYS A 8 -3.073 7.072 -25.511 1.00 30.21 H new ATOM 0 HB3 LYS A 8 -1.965 6.646 -26.801 1.00 30.21 H new ATOM 0 HG2 LYS A 8 -1.605 4.400 -25.742 1.00 1.23 H new ATOM 0 HG3 LYS A 8 -2.725 4.828 -24.464 1.00 1.23 H new ATOM 0 HD2 LYS A 8 -4.537 5.136 -26.225 1.00 62.31 H new ATOM 0 HD3 LYS A 8 -3.406 4.567 -27.436 1.00 62.31 H new ATOM 0 HE2 LYS A 8 -4.380 2.957 -25.026 1.00 52.22 H new ATOM 0 HE3 LYS A 8 -4.936 2.754 -26.675 1.00 52.22 H new ATOM 0 HZ1 LYS A 8 -3.294 1.099 -26.112 1.00 55.54 H new ATOM 0 HZ2 LYS A 8 -2.679 2.122 -27.320 1.00 55.54 H new ATOM 0 HZ3 LYS A 8 -2.158 2.296 -25.714 1.00 55.54 H new ATOM 125 N LYS A 9 -0.188 6.512 -22.636 1.00 45.25 N ATOM 126 CA LYS A 9 -0.275 6.191 -21.190 1.00 2.21 C ATOM 127 C LYS A 9 -0.693 7.423 -20.339 1.00 72.43 C ATOM 128 O LYS A 9 0.068 8.390 -20.204 1.00 24.43 O ATOM 129 CB LYS A 9 1.085 5.634 -20.686 1.00 72.10 C ATOM 130 CG LYS A 9 1.575 4.347 -21.392 1.00 11.11 C ATOM 131 CD LYS A 9 0.626 3.144 -21.194 1.00 41.53 C ATOM 132 CE LYS A 9 0.499 2.702 -19.723 1.00 60.23 C ATOM 133 NZ LYS A 9 1.787 2.196 -19.165 1.00 22.40 N ATOM 0 H LYS A 9 0.755 6.421 -23.015 1.00 45.25 H new ATOM 0 HA LYS A 9 -1.050 5.434 -21.070 1.00 2.21 H new ATOM 0 HB2 LYS A 9 1.843 6.407 -20.809 1.00 72.10 H new ATOM 0 HB3 LYS A 9 1.004 5.434 -19.618 1.00 72.10 H new ATOM 0 HG2 LYS A 9 1.683 4.544 -22.459 1.00 11.11 H new ATOM 0 HG3 LYS A 9 2.564 4.087 -21.014 1.00 11.11 H new ATOM 0 HD2 LYS A 9 -0.362 3.403 -21.575 1.00 41.53 H new ATOM 0 HD3 LYS A 9 0.986 2.304 -21.788 1.00 41.53 H new ATOM 0 HE2 LYS A 9 0.152 3.543 -19.123 1.00 60.23 H new ATOM 0 HE3 LYS A 9 -0.258 1.922 -19.646 1.00 60.23 H new ATOM 0 HZ1 LYS A 9 1.633 1.849 -18.197 1.00 22.40 H new ATOM 0 HZ2 LYS A 9 2.141 1.419 -19.759 1.00 22.40 H new ATOM 0 HZ3 LYS A 9 2.485 2.967 -19.150 1.00 22.40 H new ATOM 147 N ARG A 10 -1.917 7.364 -19.784 1.00 25.40 N ATOM 148 CA ARG A 10 -2.504 8.458 -18.975 1.00 44.32 C ATOM 149 C ARG A 10 -2.131 8.320 -17.465 1.00 13.10 C ATOM 150 O ARG A 10 -1.916 7.205 -16.975 1.00 10.14 O ATOM 151 CB ARG A 10 -4.054 8.451 -19.141 1.00 63.15 C ATOM 152 CG ARG A 10 -4.575 8.518 -20.598 1.00 2.33 C ATOM 153 CD ARG A 10 -4.174 9.809 -21.338 1.00 10.42 C ATOM 154 NE ARG A 10 -4.794 9.889 -22.673 1.00 53.55 N ATOM 155 CZ ARG A 10 -4.593 10.844 -23.556 1.00 71.35 C ATOM 156 NH1 ARG A 10 -3.740 11.802 -23.350 1.00 42.34 N ATOM 157 NH2 ARG A 10 -5.249 10.819 -24.666 1.00 4.12 N ATOM 0 H ARG A 10 -2.532 6.556 -19.882 1.00 25.40 H new ATOM 0 HA ARG A 10 -2.095 9.403 -19.333 1.00 44.32 H new ATOM 0 HB2 ARG A 10 -4.446 7.547 -18.676 1.00 63.15 H new ATOM 0 HB3 ARG A 10 -4.464 9.297 -18.589 1.00 63.15 H new ATOM 0 HG2 ARG A 10 -4.194 7.659 -21.151 1.00 2.33 H new ATOM 0 HG3 ARG A 10 -5.662 8.436 -20.590 1.00 2.33 H new ATOM 0 HD2 ARG A 10 -4.472 10.675 -20.746 1.00 10.42 H new ATOM 0 HD3 ARG A 10 -3.089 9.849 -21.438 1.00 10.42 H new ATOM 0 HE ARG A 10 -5.434 9.139 -22.935 1.00 53.55 H new ATOM 0 HH11 ARG A 10 -3.203 11.829 -22.483 1.00 42.34 H new ATOM 0 HH12 ARG A 10 -3.608 12.527 -24.055 1.00 42.34 H new ATOM 0 HH21 ARG A 10 -5.912 10.066 -24.849 1.00 4.12 H new ATOM 0 HH22 ARG A 10 -5.104 11.552 -25.360 1.00 4.12 H new ATOM 171 N ARG A 11 -2.087 9.480 -16.758 1.00 15.11 N ATOM 172 CA ARG A 11 -1.874 9.581 -15.282 1.00 53.34 C ATOM 173 C ARG A 11 -0.486 9.052 -14.822 1.00 33.34 C ATOM 174 O ARG A 11 -0.272 7.843 -14.697 1.00 43.03 O ATOM 175 CB ARG A 11 -3.020 8.908 -14.449 1.00 22.40 C ATOM 176 CG ARG A 11 -4.389 9.642 -14.483 1.00 15.43 C ATOM 177 CD ARG A 11 -5.094 9.534 -15.842 1.00 61.33 C ATOM 178 NE ARG A 11 -6.368 10.262 -15.907 1.00 25.24 N ATOM 179 CZ ARG A 11 -7.357 9.975 -16.723 1.00 55.14 C ATOM 180 NH1 ARG A 11 -7.336 8.918 -17.483 1.00 41.34 N ATOM 181 NH2 ARG A 11 -8.385 10.745 -16.760 1.00 13.23 N ATOM 0 H ARG A 11 -2.200 10.391 -17.203 1.00 15.11 H new ATOM 0 HA ARG A 11 -1.899 10.651 -15.077 1.00 53.34 H new ATOM 0 HB2 ARG A 11 -3.163 7.891 -14.815 1.00 22.40 H new ATOM 0 HB3 ARG A 11 -2.694 8.830 -13.412 1.00 22.40 H new ATOM 0 HG2 ARG A 11 -5.036 9.228 -13.710 1.00 15.43 H new ATOM 0 HG3 ARG A 11 -4.237 10.694 -14.241 1.00 15.43 H new ATOM 0 HD2 ARG A 11 -4.429 9.914 -16.617 1.00 61.33 H new ATOM 0 HD3 ARG A 11 -5.275 8.482 -16.065 1.00 61.33 H new ATOM 0 HE ARG A 11 -6.494 11.049 -15.271 1.00 25.24 H new ATOM 0 HH11 ARG A 11 -6.536 8.286 -17.455 1.00 41.34 H new ATOM 0 HH12 ARG A 11 -8.119 8.722 -18.106 1.00 41.34 H new ATOM 0 HH21 ARG A 11 -8.427 11.569 -16.160 1.00 13.23 H new ATOM 0 HH22 ARG A 11 -9.159 10.532 -17.389 1.00 13.23 H new ATOM 195 N ASN A 12 0.442 9.986 -14.557 1.00 21.21 N ATOM 196 CA ASN A 12 1.793 9.677 -14.007 1.00 44.15 C ATOM 197 C ASN A 12 1.856 9.907 -12.467 1.00 4.33 C ATOM 198 O ASN A 12 2.943 9.919 -11.880 1.00 22.42 O ATOM 199 CB ASN A 12 2.868 10.542 -14.729 1.00 2.13 C ATOM 200 CG ASN A 12 2.677 12.057 -14.540 1.00 10.45 C ATOM 201 OD1 ASN A 12 1.556 12.562 -14.515 1.00 41.11 O ATOM 202 ND2 ASN A 12 3.767 12.792 -14.385 1.00 60.41 N ATOM 0 H ASN A 12 0.286 10.982 -14.715 1.00 21.21 H new ATOM 0 HA ASN A 12 1.996 8.621 -14.188 1.00 44.15 H new ATOM 0 HB2 ASN A 12 3.854 10.261 -14.360 1.00 2.13 H new ATOM 0 HB3 ASN A 12 2.849 10.313 -15.795 1.00 2.13 H new ATOM 0 HD21 ASN A 12 3.687 13.799 -14.241 1.00 60.41 H new ATOM 0 HD22 ASN A 12 4.687 12.352 -14.409 1.00 60.41 H new ATOM 209 N ARG A 13 0.678 10.070 -11.827 1.00 52.22 N ATOM 210 CA ARG A 13 0.576 10.410 -10.390 1.00 1.43 C ATOM 211 C ARG A 13 1.080 9.259 -9.474 1.00 30.32 C ATOM 212 O ARG A 13 0.366 8.281 -9.223 1.00 12.32 O ATOM 213 CB ARG A 13 -0.887 10.812 -10.042 1.00 30.51 C ATOM 214 CG ARG A 13 -1.120 11.222 -8.568 1.00 51.43 C ATOM 215 CD ARG A 13 -0.263 12.427 -8.124 1.00 51.43 C ATOM 216 NE ARG A 13 -0.636 13.683 -8.801 1.00 2.14 N ATOM 217 CZ ARG A 13 0.027 14.817 -8.706 1.00 21.12 C ATOM 218 NH1 ARG A 13 1.131 14.895 -8.032 1.00 43.05 N ATOM 219 NH2 ARG A 13 -0.426 15.877 -9.289 1.00 21.43 N ATOM 0 H ARG A 13 -0.226 9.970 -12.289 1.00 52.22 H new ATOM 0 HA ARG A 13 1.230 11.261 -10.201 1.00 1.43 H new ATOM 0 HB2 ARG A 13 -1.183 11.641 -10.685 1.00 30.51 H new ATOM 0 HB3 ARG A 13 -1.544 9.975 -10.279 1.00 30.51 H new ATOM 0 HG2 ARG A 13 -2.174 11.464 -8.428 1.00 51.43 H new ATOM 0 HG3 ARG A 13 -0.900 10.372 -7.923 1.00 51.43 H new ATOM 0 HD2 ARG A 13 -0.362 12.559 -7.047 1.00 51.43 H new ATOM 0 HD3 ARG A 13 0.787 12.212 -8.323 1.00 51.43 H new ATOM 0 HE ARG A 13 -1.471 13.673 -9.387 1.00 2.14 H new ATOM 0 HH11 ARG A 13 1.502 14.069 -7.563 1.00 43.05 H new ATOM 0 HH12 ARG A 13 1.629 15.783 -7.971 1.00 43.05 H new ATOM 0 HH21 ARG A 13 -1.295 15.834 -9.821 1.00 21.43 H new ATOM 0 HH22 ARG A 13 0.085 16.757 -9.217 1.00 21.43 H new ATOM 233 N THR A 14 2.333 9.398 -9.003 1.00 54.34 N ATOM 234 CA THR A 14 2.967 8.459 -8.043 1.00 72.43 C ATOM 235 C THR A 14 3.766 9.249 -6.964 1.00 21.42 C ATOM 236 O THR A 14 4.714 8.736 -6.351 1.00 21.23 O ATOM 237 CB THR A 14 3.887 7.423 -8.802 1.00 73.33 C ATOM 238 OG1 THR A 14 4.423 6.452 -7.884 1.00 34.13 O ATOM 239 CG2 THR A 14 5.049 8.105 -9.554 1.00 62.44 C ATOM 0 H THR A 14 2.943 10.169 -9.276 1.00 54.34 H new ATOM 0 HA THR A 14 2.186 7.894 -7.535 1.00 72.43 H new ATOM 0 HB THR A 14 3.253 6.929 -9.538 1.00 73.33 H new ATOM 0 HG1 THR A 14 4.702 6.901 -7.059 1.00 34.13 H new ATOM 0 HG21 THR A 14 5.650 7.348 -10.058 1.00 62.44 H new ATOM 0 HG22 THR A 14 4.647 8.800 -10.291 1.00 62.44 H new ATOM 0 HG23 THR A 14 5.672 8.649 -8.844 1.00 62.44 H new ATOM 247 N THR A 15 3.333 10.498 -6.709 1.00 24.03 N ATOM 248 CA THR A 15 3.968 11.397 -5.713 1.00 52.15 C ATOM 249 C THR A 15 3.591 11.000 -4.266 1.00 40.41 C ATOM 250 O THR A 15 4.470 10.798 -3.422 1.00 22.22 O ATOM 251 CB THR A 15 3.572 12.896 -5.960 1.00 61.03 C ATOM 252 OG1 THR A 15 2.142 13.055 -5.913 1.00 71.22 O ATOM 253 CG2 THR A 15 4.095 13.414 -7.312 1.00 44.13 C ATOM 0 H THR A 15 2.534 10.917 -7.185 1.00 24.03 H new ATOM 0 HA THR A 15 5.045 11.289 -5.838 1.00 52.15 H new ATOM 0 HB THR A 15 4.035 13.482 -5.166 1.00 61.03 H new ATOM 0 HG1 THR A 15 1.923 13.954 -5.591 1.00 71.22 H new ATOM 0 HG21 THR A 15 3.799 14.455 -7.442 1.00 44.13 H new ATOM 0 HG22 THR A 15 5.182 13.341 -7.334 1.00 44.13 H new ATOM 0 HG23 THR A 15 3.675 12.813 -8.119 1.00 44.13 H new ATOM 261 N PHE A 16 2.267 10.890 -4.011 1.00 61.13 N ATOM 262 CA PHE A 16 1.677 10.590 -2.673 1.00 52.42 C ATOM 263 C PHE A 16 1.975 11.695 -1.618 1.00 61.01 C ATOM 264 O PHE A 16 2.680 12.675 -1.893 1.00 2.03 O ATOM 265 CB PHE A 16 2.131 9.196 -2.141 1.00 53.31 C ATOM 266 CG PHE A 16 1.820 8.024 -3.074 1.00 43.11 C ATOM 267 CD1 PHE A 16 0.562 7.428 -3.083 1.00 42.14 C ATOM 268 CD2 PHE A 16 2.788 7.515 -3.939 1.00 4.01 C ATOM 269 CE1 PHE A 16 0.285 6.368 -3.929 1.00 70.33 C ATOM 270 CE2 PHE A 16 2.507 6.458 -4.782 1.00 2.11 C ATOM 271 CZ PHE A 16 1.259 5.881 -4.774 1.00 64.22 C ATOM 0 H PHE A 16 1.561 11.008 -4.738 1.00 61.13 H new ATOM 0 HA PHE A 16 0.598 10.569 -2.824 1.00 52.42 H new ATOM 0 HB2 PHE A 16 3.206 9.224 -1.960 1.00 53.31 H new ATOM 0 HB3 PHE A 16 1.650 9.015 -1.180 1.00 53.31 H new ATOM 0 HD1 PHE A 16 -0.208 7.797 -2.421 1.00 42.14 H new ATOM 0 HD2 PHE A 16 3.774 7.955 -3.950 1.00 4.01 H new ATOM 0 HE1 PHE A 16 -0.698 5.921 -3.927 1.00 70.33 H new ATOM 0 HE2 PHE A 16 3.269 6.084 -5.449 1.00 2.11 H new ATOM 0 HZ PHE A 16 1.043 5.049 -5.428 1.00 64.22 H new ATOM 281 N THR A 17 1.390 11.551 -0.417 1.00 64.23 N ATOM 282 CA THR A 17 1.731 12.406 0.754 1.00 32.13 C ATOM 283 C THR A 17 2.678 11.638 1.706 1.00 50.20 C ATOM 284 O THR A 17 2.918 10.439 1.515 1.00 22.32 O ATOM 285 CB THR A 17 0.463 12.856 1.562 1.00 3.14 C ATOM 286 OG1 THR A 17 -0.067 11.749 2.316 1.00 53.40 O ATOM 287 CG2 THR A 17 -0.638 13.422 0.640 1.00 5.11 C ATOM 0 H THR A 17 0.675 10.850 -0.222 1.00 64.23 H new ATOM 0 HA THR A 17 2.215 13.300 0.362 1.00 32.13 H new ATOM 0 HB THR A 17 0.778 13.649 2.240 1.00 3.14 H new ATOM 0 HG1 THR A 17 -1.000 11.931 2.553 1.00 53.40 H new ATOM 0 HG21 THR A 17 -1.497 13.721 1.240 1.00 5.11 H new ATOM 0 HG22 THR A 17 -0.252 14.288 0.102 1.00 5.11 H new ATOM 0 HG23 THR A 17 -0.943 12.657 -0.074 1.00 5.11 H new ATOM 295 N SER A 18 3.195 12.327 2.739 1.00 21.23 N ATOM 296 CA SER A 18 4.050 11.697 3.780 1.00 24.50 C ATOM 297 C SER A 18 3.263 10.642 4.591 1.00 23.42 C ATOM 298 O SER A 18 3.825 9.622 5.006 1.00 74.52 O ATOM 299 CB SER A 18 4.633 12.774 4.721 1.00 32.53 C ATOM 300 OG SER A 18 5.430 13.711 4.009 1.00 35.04 O ATOM 0 H SER A 18 3.039 13.325 2.882 1.00 21.23 H new ATOM 0 HA SER A 18 4.871 11.187 3.276 1.00 24.50 H new ATOM 0 HB2 SER A 18 3.820 13.296 5.226 1.00 32.53 H new ATOM 0 HB3 SER A 18 5.235 12.296 5.494 1.00 32.53 H new ATOM 0 HG SER A 18 5.783 14.380 4.632 1.00 35.04 H new ATOM 306 N TYR A 19 1.954 10.899 4.802 1.00 21.31 N ATOM 307 CA TYR A 19 1.043 9.934 5.445 1.00 72.04 C ATOM 308 C TYR A 19 0.822 8.690 4.550 1.00 70.13 C ATOM 309 O TYR A 19 0.893 7.562 5.022 1.00 51.41 O ATOM 310 CB TYR A 19 -0.313 10.597 5.775 1.00 54.00 C ATOM 311 CG TYR A 19 -1.339 9.642 6.420 1.00 1.11 C ATOM 312 CD1 TYR A 19 -1.238 9.281 7.769 1.00 52.31 C ATOM 313 CD2 TYR A 19 -2.387 9.083 5.679 1.00 71.32 C ATOM 314 CE1 TYR A 19 -2.144 8.413 8.351 1.00 44.54 C ATOM 315 CE2 TYR A 19 -3.291 8.214 6.260 1.00 45.33 C ATOM 316 CZ TYR A 19 -3.167 7.883 7.593 1.00 13.22 C ATOM 317 OH TYR A 19 -4.076 7.014 8.175 1.00 74.22 O ATOM 0 H TYR A 19 1.504 11.774 4.533 1.00 21.31 H new ATOM 0 HA TYR A 19 1.510 9.609 6.374 1.00 72.04 H new ATOM 0 HB2 TYR A 19 -0.141 11.437 6.448 1.00 54.00 H new ATOM 0 HB3 TYR A 19 -0.739 11.005 4.858 1.00 54.00 H new ATOM 0 HD1 TYR A 19 -0.436 9.689 8.367 1.00 52.31 H new ATOM 0 HD2 TYR A 19 -2.491 9.336 4.634 1.00 71.32 H new ATOM 0 HE1 TYR A 19 -2.051 8.151 9.395 1.00 44.54 H new ATOM 0 HE2 TYR A 19 -4.093 7.795 5.671 1.00 45.33 H new ATOM 0 HH TYR A 19 -3.896 6.100 7.870 1.00 74.22 H new ATOM 327 N GLN A 20 0.549 8.905 3.256 1.00 53.55 N ATOM 328 CA GLN A 20 0.271 7.797 2.311 1.00 40.11 C ATOM 329 C GLN A 20 1.507 6.882 2.130 1.00 44.00 C ATOM 330 O GLN A 20 1.371 5.664 2.079 1.00 40.45 O ATOM 331 CB GLN A 20 -0.219 8.362 0.961 1.00 22.30 C ATOM 332 CG GLN A 20 -1.500 9.212 1.087 1.00 50.13 C ATOM 333 CD GLN A 20 -1.951 9.853 -0.225 1.00 74.11 C ATOM 334 OE1 GLN A 20 -1.149 10.127 -1.108 1.00 60.14 O ATOM 335 NE2 GLN A 20 -3.232 10.142 -0.346 1.00 13.01 N ATOM 0 H GLN A 20 0.513 9.832 2.833 1.00 53.55 H new ATOM 0 HA GLN A 20 -0.521 7.177 2.731 1.00 40.11 H new ATOM 0 HB2 GLN A 20 0.571 8.970 0.521 1.00 22.30 H new ATOM 0 HB3 GLN A 20 -0.405 7.536 0.275 1.00 22.30 H new ATOM 0 HG2 GLN A 20 -2.305 8.584 1.468 1.00 50.13 H new ATOM 0 HG3 GLN A 20 -1.332 9.997 1.824 1.00 50.13 H new ATOM 0 HE21 GLN A 20 -3.882 9.904 0.403 1.00 13.01 H new ATOM 0 HE22 GLN A 20 -3.573 10.604 -1.189 1.00 13.01 H new ATOM 344 N LEU A 21 2.711 7.486 2.093 1.00 52.22 N ATOM 345 CA LEU A 21 3.983 6.735 1.996 1.00 51.53 C ATOM 346 C LEU A 21 4.296 5.942 3.293 1.00 44.34 C ATOM 347 O LEU A 21 4.670 4.773 3.209 1.00 23.34 O ATOM 348 CB LEU A 21 5.163 7.678 1.628 1.00 10.44 C ATOM 349 CG LEU A 21 5.143 8.260 0.179 1.00 15.14 C ATOM 350 CD1 LEU A 21 6.377 9.148 -0.078 1.00 2.40 C ATOM 351 CD2 LEU A 21 5.042 7.131 -0.872 1.00 70.32 C ATOM 0 H LEU A 21 2.832 8.498 2.129 1.00 52.22 H new ATOM 0 HA LEU A 21 3.861 6.007 1.194 1.00 51.53 H new ATOM 0 HB2 LEU A 21 5.172 8.509 2.333 1.00 10.44 H new ATOM 0 HB3 LEU A 21 6.096 7.132 1.767 1.00 10.44 H new ATOM 0 HG LEU A 21 4.256 8.886 0.083 1.00 15.14 H new ATOM 0 HD11 LEU A 21 6.338 9.540 -1.094 1.00 2.40 H new ATOM 0 HD12 LEU A 21 6.383 9.976 0.631 1.00 2.40 H new ATOM 0 HD13 LEU A 21 7.284 8.556 0.048 1.00 2.40 H new ATOM 0 HD21 LEU A 21 5.030 7.565 -1.872 1.00 70.32 H new ATOM 0 HD22 LEU A 21 5.900 6.466 -0.775 1.00 70.32 H new ATOM 0 HD23 LEU A 21 4.124 6.565 -0.711 1.00 70.32 H new ATOM 363 N GLU A 22 4.127 6.575 4.488 1.00 63.22 N ATOM 364 CA GLU A 22 4.415 5.899 5.792 1.00 63.41 C ATOM 365 C GLU A 22 3.472 4.684 6.008 1.00 41.34 C ATOM 366 O GLU A 22 3.865 3.685 6.597 1.00 24.25 O ATOM 367 CB GLU A 22 4.297 6.886 7.002 1.00 51.31 C ATOM 368 CG GLU A 22 2.856 7.315 7.361 1.00 70.31 C ATOM 369 CD GLU A 22 2.742 8.306 8.526 1.00 1.01 C ATOM 370 OE1 GLU A 22 3.332 9.404 8.444 1.00 33.42 O ATOM 371 OE2 GLU A 22 2.049 8.007 9.525 1.00 21.13 O ATOM 0 H GLU A 22 3.798 7.536 4.579 1.00 63.22 H new ATOM 0 HA GLU A 22 5.445 5.546 5.744 1.00 63.41 H new ATOM 0 HB2 GLU A 22 4.749 6.419 7.877 1.00 51.31 H new ATOM 0 HB3 GLU A 22 4.881 7.779 6.780 1.00 51.31 H new ATOM 0 HG2 GLU A 22 2.396 7.761 6.479 1.00 70.31 H new ATOM 0 HG3 GLU A 22 2.279 6.423 7.605 1.00 70.31 H new ATOM 378 N GLU A 23 2.228 4.814 5.515 1.00 70.54 N ATOM 379 CA GLU A 23 1.175 3.768 5.599 1.00 53.42 C ATOM 380 C GLU A 23 1.449 2.566 4.670 1.00 73.04 C ATOM 381 O GLU A 23 1.347 1.414 5.095 1.00 71.41 O ATOM 382 CB GLU A 23 -0.190 4.404 5.243 1.00 32.30 C ATOM 383 CG GLU A 23 -0.797 5.293 6.354 1.00 34.43 C ATOM 384 CD GLU A 23 -1.769 4.533 7.264 1.00 14.32 C ATOM 385 OE1 GLU A 23 -2.970 4.469 6.910 1.00 52.02 O ATOM 386 OE2 GLU A 23 -1.345 3.998 8.324 1.00 41.13 O ATOM 0 H GLU A 23 1.914 5.659 5.038 1.00 70.54 H new ATOM 0 HA GLU A 23 1.171 3.382 6.619 1.00 53.42 H new ATOM 0 HB2 GLU A 23 -0.072 5.004 4.340 1.00 32.30 H new ATOM 0 HB3 GLU A 23 -0.896 3.608 5.007 1.00 32.30 H new ATOM 0 HG2 GLU A 23 0.008 5.710 6.959 1.00 34.43 H new ATOM 0 HG3 GLU A 23 -1.319 6.133 5.895 1.00 34.43 H new ATOM 393 N LEU A 24 1.763 2.852 3.398 1.00 24.22 N ATOM 394 CA LEU A 24 2.077 1.809 2.392 1.00 21.53 C ATOM 395 C LEU A 24 3.378 1.046 2.780 1.00 32.54 C ATOM 396 O LEU A 24 3.465 -0.174 2.608 1.00 42.43 O ATOM 397 CB LEU A 24 2.184 2.456 0.983 1.00 72.31 C ATOM 398 CG LEU A 24 0.867 3.085 0.413 1.00 54.01 C ATOM 399 CD1 LEU A 24 1.122 3.858 -0.901 1.00 42.24 C ATOM 400 CD2 LEU A 24 -0.228 2.017 0.230 1.00 33.32 C ATOM 0 H LEU A 24 1.808 3.803 3.033 1.00 24.22 H new ATOM 0 HA LEU A 24 1.271 1.076 2.368 1.00 21.53 H new ATOM 0 HB2 LEU A 24 2.948 3.233 1.019 1.00 72.31 H new ATOM 0 HB3 LEU A 24 2.533 1.697 0.283 1.00 72.31 H new ATOM 0 HG LEU A 24 0.509 3.807 1.147 1.00 54.01 H new ATOM 0 HD11 LEU A 24 0.184 4.279 -1.264 1.00 42.24 H new ATOM 0 HD12 LEU A 24 1.834 4.663 -0.717 1.00 42.24 H new ATOM 0 HD13 LEU A 24 1.528 3.178 -1.650 1.00 42.24 H new ATOM 0 HD21 LEU A 24 -1.129 2.484 -0.167 1.00 33.32 H new ATOM 0 HD22 LEU A 24 0.121 1.253 -0.465 1.00 33.32 H new ATOM 0 HD23 LEU A 24 -0.452 1.557 1.192 1.00 33.32 H new ATOM 412 N GLU A 25 4.372 1.790 3.310 1.00 52.43 N ATOM 413 CA GLU A 25 5.585 1.207 3.939 1.00 75.51 C ATOM 414 C GLU A 25 5.214 0.335 5.168 1.00 61.34 C ATOM 415 O GLU A 25 5.690 -0.786 5.292 1.00 3.21 O ATOM 416 CB GLU A 25 6.573 2.331 4.370 1.00 72.34 C ATOM 417 CG GLU A 25 7.426 2.951 3.237 1.00 2.51 C ATOM 418 CD GLU A 25 8.484 1.995 2.638 1.00 52.34 C ATOM 419 OE1 GLU A 25 9.084 1.195 3.394 1.00 13.43 O ATOM 420 OE2 GLU A 25 8.761 2.080 1.422 1.00 2.14 O ATOM 0 H GLU A 25 4.360 2.810 3.316 1.00 52.43 H new ATOM 0 HA GLU A 25 6.069 0.572 3.197 1.00 75.51 H new ATOM 0 HB2 GLU A 25 6.001 3.128 4.846 1.00 72.34 H new ATOM 0 HB3 GLU A 25 7.246 1.926 5.126 1.00 72.34 H new ATOM 0 HG2 GLU A 25 6.762 3.284 2.439 1.00 2.51 H new ATOM 0 HG3 GLU A 25 7.931 3.837 3.622 1.00 2.51 H new ATOM 427 N LYS A 26 4.343 0.876 6.049 1.00 2.10 N ATOM 428 CA LYS A 26 3.875 0.191 7.292 1.00 74.23 C ATOM 429 C LYS A 26 3.275 -1.202 6.978 1.00 74.51 C ATOM 430 O LYS A 26 3.502 -2.166 7.709 1.00 4.31 O ATOM 431 CB LYS A 26 2.818 1.087 8.003 1.00 53.02 C ATOM 432 CG LYS A 26 2.256 0.552 9.341 1.00 22.15 C ATOM 433 CD LYS A 26 1.156 1.478 9.924 1.00 33.43 C ATOM 434 CE LYS A 26 0.602 0.975 11.271 1.00 35.35 C ATOM 435 NZ LYS A 26 1.645 0.950 12.332 1.00 65.02 N ATOM 0 H LYS A 26 3.939 1.804 5.924 1.00 2.10 H new ATOM 0 HA LYS A 26 4.731 0.038 7.949 1.00 74.23 H new ATOM 0 HB2 LYS A 26 3.265 2.064 8.186 1.00 53.02 H new ATOM 0 HB3 LYS A 26 1.984 1.241 7.319 1.00 53.02 H new ATOM 0 HG2 LYS A 26 1.845 -0.446 9.188 1.00 22.15 H new ATOM 0 HG3 LYS A 26 3.068 0.456 10.062 1.00 22.15 H new ATOM 0 HD2 LYS A 26 1.564 2.480 10.056 1.00 33.43 H new ATOM 0 HD3 LYS A 26 0.338 1.558 9.208 1.00 33.43 H new ATOM 0 HE2 LYS A 26 -0.220 1.617 11.587 1.00 35.35 H new ATOM 0 HE3 LYS A 26 0.192 -0.027 11.142 1.00 35.35 H new ATOM 0 HZ1 LYS A 26 1.205 0.720 13.246 1.00 65.02 H new ATOM 0 HZ2 LYS A 26 2.359 0.230 12.100 1.00 65.02 H new ATOM 0 HZ3 LYS A 26 2.101 1.883 12.392 1.00 65.02 H new ATOM 449 N VAL A 27 2.521 -1.283 5.869 1.00 34.54 N ATOM 450 CA VAL A 27 1.934 -2.546 5.379 1.00 50.11 C ATOM 451 C VAL A 27 3.020 -3.471 4.764 1.00 62.54 C ATOM 452 O VAL A 27 3.077 -4.647 5.110 1.00 64.53 O ATOM 453 CB VAL A 27 0.785 -2.266 4.339 1.00 63.13 C ATOM 454 CG1 VAL A 27 0.213 -3.576 3.729 1.00 31.21 C ATOM 455 CG2 VAL A 27 -0.342 -1.427 4.994 1.00 50.35 C ATOM 0 H VAL A 27 2.300 -0.476 5.286 1.00 34.54 H new ATOM 0 HA VAL A 27 1.500 -3.063 6.235 1.00 50.11 H new ATOM 0 HB VAL A 27 1.220 -1.696 3.518 1.00 63.13 H new ATOM 0 HG11 VAL A 27 -0.576 -3.332 3.018 1.00 31.21 H new ATOM 0 HG12 VAL A 27 1.009 -4.116 3.216 1.00 31.21 H new ATOM 0 HG13 VAL A 27 -0.195 -4.200 4.524 1.00 31.21 H new ATOM 0 HG21 VAL A 27 -1.129 -1.241 4.263 1.00 50.35 H new ATOM 0 HG22 VAL A 27 -0.756 -1.973 5.842 1.00 50.35 H new ATOM 0 HG23 VAL A 27 0.065 -0.476 5.338 1.00 50.35 H new ATOM 465 N PHE A 28 3.896 -2.914 3.895 1.00 3.40 N ATOM 466 CA PHE A 28 4.932 -3.700 3.158 1.00 31.53 C ATOM 467 C PHE A 28 5.943 -4.386 4.117 1.00 24.31 C ATOM 468 O PHE A 28 6.339 -5.535 3.898 1.00 22.20 O ATOM 469 CB PHE A 28 5.696 -2.792 2.150 1.00 54.23 C ATOM 470 CG PHE A 28 6.656 -3.547 1.216 1.00 64.21 C ATOM 471 CD1 PHE A 28 6.170 -4.245 0.105 1.00 24.44 C ATOM 472 CD2 PHE A 28 8.037 -3.569 1.448 1.00 73.31 C ATOM 473 CE1 PHE A 28 7.025 -4.932 -0.741 1.00 21.42 C ATOM 474 CE2 PHE A 28 8.893 -4.260 0.598 1.00 52.51 C ATOM 475 CZ PHE A 28 8.386 -4.941 -0.494 1.00 70.14 C ATOM 0 H PHE A 28 3.911 -1.917 3.681 1.00 3.40 H new ATOM 0 HA PHE A 28 4.405 -4.484 2.614 1.00 31.53 H new ATOM 0 HB2 PHE A 28 4.969 -2.251 1.544 1.00 54.23 H new ATOM 0 HB3 PHE A 28 6.263 -2.047 2.708 1.00 54.23 H new ATOM 0 HD1 PHE A 28 5.109 -4.248 -0.097 1.00 24.44 H new ATOM 0 HD2 PHE A 28 8.443 -3.042 2.299 1.00 73.31 H new ATOM 0 HE1 PHE A 28 6.628 -5.461 -1.595 1.00 21.42 H new ATOM 0 HE2 PHE A 28 9.956 -4.265 0.791 1.00 52.51 H new ATOM 0 HZ PHE A 28 9.052 -5.479 -1.153 1.00 70.14 H new ATOM 485 N GLN A 29 6.349 -3.667 5.173 1.00 20.11 N ATOM 486 CA GLN A 29 7.364 -4.145 6.144 1.00 11.33 C ATOM 487 C GLN A 29 6.826 -5.282 7.060 1.00 63.13 C ATOM 488 O GLN A 29 7.609 -6.078 7.592 1.00 62.31 O ATOM 489 CB GLN A 29 7.873 -2.952 6.996 1.00 33.23 C ATOM 490 CG GLN A 29 8.512 -1.802 6.179 1.00 22.05 C ATOM 491 CD GLN A 29 9.765 -2.201 5.389 1.00 0.43 C ATOM 492 OE1 GLN A 29 10.527 -3.076 5.795 1.00 23.01 O ATOM 493 NE2 GLN A 29 9.998 -1.550 4.262 1.00 53.33 N ATOM 0 H GLN A 29 5.988 -2.737 5.385 1.00 20.11 H new ATOM 0 HA GLN A 29 8.191 -4.569 5.575 1.00 11.33 H new ATOM 0 HB2 GLN A 29 7.038 -2.551 7.571 1.00 33.23 H new ATOM 0 HB3 GLN A 29 8.606 -3.321 7.713 1.00 33.23 H new ATOM 0 HG2 GLN A 29 7.769 -1.411 5.484 1.00 22.05 H new ATOM 0 HG3 GLN A 29 8.770 -0.990 6.859 1.00 22.05 H new ATOM 0 HE21 GLN A 29 9.350 -0.828 3.947 1.00 53.33 H new ATOM 0 HE22 GLN A 29 10.826 -1.770 3.708 1.00 53.33 H new ATOM 502 N LYS A 30 5.490 -5.335 7.245 1.00 54.11 N ATOM 503 CA LYS A 30 4.814 -6.439 7.979 1.00 21.45 C ATOM 504 C LYS A 30 4.535 -7.631 7.024 1.00 41.51 C ATOM 505 O LYS A 30 4.821 -8.792 7.342 1.00 4.12 O ATOM 506 CB LYS A 30 3.480 -5.934 8.602 1.00 72.05 C ATOM 507 CG LYS A 30 3.633 -4.754 9.590 1.00 3.11 C ATOM 508 CD LYS A 30 2.270 -4.262 10.136 1.00 43.01 C ATOM 509 CE LYS A 30 2.402 -2.982 10.983 1.00 74.24 C ATOM 510 NZ LYS A 30 3.283 -3.164 12.168 1.00 71.44 N ATOM 0 H LYS A 30 4.849 -4.623 6.895 1.00 54.11 H new ATOM 0 HA LYS A 30 5.472 -6.777 8.779 1.00 21.45 H new ATOM 0 HB2 LYS A 30 2.811 -5.631 7.797 1.00 72.05 H new ATOM 0 HB3 LYS A 30 3.000 -6.764 9.120 1.00 72.05 H new ATOM 0 HG2 LYS A 30 4.266 -5.061 10.423 1.00 3.11 H new ATOM 0 HG3 LYS A 30 4.141 -3.929 9.091 1.00 3.11 H new ATOM 0 HD2 LYS A 30 1.594 -4.074 9.302 1.00 43.01 H new ATOM 0 HD3 LYS A 30 1.819 -5.049 10.740 1.00 43.01 H new ATOM 0 HE2 LYS A 30 2.798 -2.179 10.361 1.00 74.24 H new ATOM 0 HE3 LYS A 30 1.413 -2.668 11.316 1.00 74.24 H new ATOM 0 HZ1 LYS A 30 3.336 -2.273 12.701 1.00 71.44 H new ATOM 0 HZ2 LYS A 30 2.894 -3.910 12.779 1.00 71.44 H new ATOM 0 HZ3 LYS A 30 4.236 -3.436 11.853 1.00 71.44 H new ATOM 524 N THR A 31 3.987 -7.305 5.838 1.00 63.05 N ATOM 525 CA THR A 31 3.592 -8.286 4.803 1.00 73.23 C ATOM 526 C THR A 31 3.799 -7.713 3.383 1.00 51.41 C ATOM 527 O THR A 31 3.404 -6.586 3.083 1.00 41.20 O ATOM 528 CB THR A 31 2.102 -8.756 4.960 1.00 65.11 C ATOM 529 OG1 THR A 31 1.740 -9.614 3.859 1.00 61.40 O ATOM 530 CG2 THR A 31 1.106 -7.577 5.046 1.00 41.11 C ATOM 0 H THR A 31 3.803 -6.339 5.566 1.00 63.05 H new ATOM 0 HA THR A 31 4.238 -9.152 4.944 1.00 73.23 H new ATOM 0 HB THR A 31 2.040 -9.301 5.902 1.00 65.11 H new ATOM 0 HG1 THR A 31 0.970 -9.234 3.388 1.00 61.40 H new ATOM 0 HG21 THR A 31 0.093 -7.964 5.154 1.00 41.11 H new ATOM 0 HG22 THR A 31 1.351 -6.956 5.908 1.00 41.11 H new ATOM 0 HG23 THR A 31 1.171 -6.979 4.137 1.00 41.11 H new ATOM 538 N HIS A 32 4.418 -8.513 2.505 1.00 61.34 N ATOM 539 CA HIS A 32 4.641 -8.141 1.087 1.00 1.30 C ATOM 540 C HIS A 32 3.384 -8.386 0.210 1.00 43.00 C ATOM 541 O HIS A 32 3.376 -8.053 -0.984 1.00 43.43 O ATOM 542 CB HIS A 32 5.858 -8.919 0.532 1.00 43.34 C ATOM 543 CG HIS A 32 7.147 -8.651 1.266 1.00 55.25 C ATOM 544 ND1 HIS A 32 8.114 -9.609 1.459 1.00 22.22 N ATOM 545 CD2 HIS A 32 7.639 -7.518 1.821 1.00 21.42 C ATOM 546 CE1 HIS A 32 9.134 -9.083 2.098 1.00 65.41 C ATOM 547 NE2 HIS A 32 8.875 -7.815 2.328 1.00 52.44 N ATOM 0 H HIS A 32 4.780 -9.435 2.749 1.00 61.34 H new ATOM 0 HA HIS A 32 4.845 -7.071 1.049 1.00 1.30 H new ATOM 0 HB2 HIS A 32 5.643 -9.987 0.575 1.00 43.34 H new ATOM 0 HB3 HIS A 32 5.991 -8.663 -0.519 1.00 43.34 H new ATOM 0 HD2 HIS A 32 7.147 -6.557 1.857 1.00 21.42 H new ATOM 0 HE1 HIS A 32 10.035 -9.605 2.386 1.00 65.41 H new ATOM 0 HE2 HIS A 32 9.494 -7.160 2.806 1.00 52.44 H new ATOM 556 N TYR A 33 2.335 -8.984 0.808 1.00 61.31 N ATOM 557 CA TYR A 33 1.059 -9.299 0.125 1.00 13.11 C ATOM 558 C TYR A 33 -0.146 -8.664 0.880 1.00 33.34 C ATOM 559 O TYR A 33 -0.553 -9.170 1.937 1.00 12.34 O ATOM 560 CB TYR A 33 0.861 -10.836 0.050 1.00 42.13 C ATOM 561 CG TYR A 33 1.939 -11.597 -0.742 1.00 64.31 C ATOM 562 CD1 TYR A 33 1.822 -11.791 -2.123 1.00 2.35 C ATOM 563 CD2 TYR A 33 3.064 -12.134 -0.107 1.00 15.02 C ATOM 564 CE1 TYR A 33 2.784 -12.489 -2.835 1.00 3.42 C ATOM 565 CE2 TYR A 33 4.025 -12.834 -0.816 1.00 64.43 C ATOM 566 CZ TYR A 33 3.882 -13.009 -2.176 1.00 74.20 C ATOM 567 OH TYR A 33 4.841 -13.713 -2.882 1.00 0.25 O ATOM 0 H TYR A 33 2.347 -9.266 1.788 1.00 61.31 H new ATOM 0 HA TYR A 33 1.104 -8.884 -0.882 1.00 13.11 H new ATOM 0 HB2 TYR A 33 0.831 -11.232 1.065 1.00 42.13 H new ATOM 0 HB3 TYR A 33 -0.110 -11.040 -0.401 1.00 42.13 H new ATOM 0 HD1 TYR A 33 0.965 -11.389 -2.644 1.00 2.35 H new ATOM 0 HD2 TYR A 33 3.185 -12.000 0.958 1.00 15.02 H new ATOM 0 HE1 TYR A 33 2.676 -12.626 -3.901 1.00 3.42 H new ATOM 0 HE2 TYR A 33 4.885 -13.242 -0.305 1.00 64.43 H new ATOM 0 HH TYR A 33 5.546 -14.009 -2.270 1.00 0.25 H new ATOM 577 N PRO A 34 -0.719 -7.524 0.381 1.00 71.22 N ATOM 578 CA PRO A 34 -1.989 -6.972 0.923 1.00 55.53 C ATOM 579 C PRO A 34 -3.247 -7.755 0.423 1.00 34.14 C ATOM 580 O PRO A 34 -3.499 -7.850 -0.790 1.00 63.32 O ATOM 581 CB PRO A 34 -1.977 -5.507 0.410 1.00 64.11 C ATOM 582 CG PRO A 34 -1.203 -5.564 -0.880 1.00 34.54 C ATOM 583 CD PRO A 34 -0.152 -6.653 -0.693 1.00 74.20 C ATOM 0 HA PRO A 34 -2.050 -7.049 2.009 1.00 55.53 H new ATOM 0 HB2 PRO A 34 -2.989 -5.135 0.249 1.00 64.11 H new ATOM 0 HB3 PRO A 34 -1.502 -4.839 1.128 1.00 64.11 H new ATOM 0 HG2 PRO A 34 -1.859 -5.796 -1.719 1.00 34.54 H new ATOM 0 HG3 PRO A 34 -0.735 -4.604 -1.097 1.00 34.54 H new ATOM 0 HD2 PRO A 34 0.012 -7.212 -1.615 1.00 74.20 H new ATOM 0 HD3 PRO A 34 0.810 -6.233 -0.399 1.00 74.20 H new ATOM 591 N ASP A 35 -4.021 -8.322 1.375 1.00 73.13 N ATOM 592 CA ASP A 35 -5.331 -8.967 1.096 1.00 2.13 C ATOM 593 C ASP A 35 -6.363 -7.907 0.652 1.00 62.22 C ATOM 594 O ASP A 35 -6.248 -6.750 1.049 1.00 5.43 O ATOM 595 CB ASP A 35 -5.846 -9.688 2.366 1.00 45.13 C ATOM 596 CG ASP A 35 -4.846 -10.718 2.906 1.00 30.23 C ATOM 597 OD1 ASP A 35 -3.951 -10.337 3.689 1.00 72.33 O ATOM 598 OD2 ASP A 35 -4.929 -11.909 2.532 1.00 43.54 O ATOM 0 H ASP A 35 -3.758 -8.347 2.360 1.00 73.13 H new ATOM 0 HA ASP A 35 -5.198 -9.695 0.295 1.00 2.13 H new ATOM 0 HB2 ASP A 35 -6.054 -8.949 3.140 1.00 45.13 H new ATOM 0 HB3 ASP A 35 -6.789 -10.186 2.139 1.00 45.13 H new ATOM 603 N VAL A 36 -7.383 -8.307 -0.135 1.00 1.33 N ATOM 604 CA VAL A 36 -8.380 -7.347 -0.686 1.00 21.25 C ATOM 605 C VAL A 36 -9.198 -6.651 0.443 1.00 71.41 C ATOM 606 O VAL A 36 -9.546 -5.479 0.329 1.00 75.12 O ATOM 607 CB VAL A 36 -9.347 -8.027 -1.730 1.00 3.24 C ATOM 608 CG1 VAL A 36 -10.340 -9.022 -1.066 1.00 0.21 C ATOM 609 CG2 VAL A 36 -10.086 -6.963 -2.585 1.00 24.43 C ATOM 0 H VAL A 36 -7.543 -9.277 -0.405 1.00 1.33 H new ATOM 0 HA VAL A 36 -7.810 -6.582 -1.212 1.00 21.25 H new ATOM 0 HB VAL A 36 -8.723 -8.620 -2.399 1.00 3.24 H new ATOM 0 HG11 VAL A 36 -10.981 -9.461 -1.830 1.00 0.21 H new ATOM 0 HG12 VAL A 36 -9.782 -9.812 -0.563 1.00 0.21 H new ATOM 0 HG13 VAL A 36 -10.954 -8.492 -0.338 1.00 0.21 H new ATOM 0 HG21 VAL A 36 -10.745 -7.461 -3.296 1.00 24.43 H new ATOM 0 HG22 VAL A 36 -10.676 -6.318 -1.933 1.00 24.43 H new ATOM 0 HG23 VAL A 36 -9.357 -6.361 -3.127 1.00 24.43 H new ATOM 619 N TYR A 37 -9.452 -7.393 1.539 1.00 52.04 N ATOM 620 CA TYR A 37 -10.127 -6.866 2.749 1.00 42.31 C ATOM 621 C TYR A 37 -9.227 -5.826 3.462 1.00 22.15 C ATOM 622 O TYR A 37 -9.705 -4.798 3.957 1.00 52.51 O ATOM 623 CB TYR A 37 -10.475 -8.037 3.707 1.00 73.03 C ATOM 624 CG TYR A 37 -11.414 -7.660 4.866 1.00 55.11 C ATOM 625 CD1 TYR A 37 -12.796 -7.667 4.686 1.00 73.53 C ATOM 626 CD2 TYR A 37 -10.922 -7.300 6.127 1.00 12.54 C ATOM 627 CE1 TYR A 37 -13.657 -7.333 5.715 1.00 12.10 C ATOM 628 CE2 TYR A 37 -11.779 -6.967 7.161 1.00 12.40 C ATOM 629 CZ TYR A 37 -13.146 -6.985 6.950 1.00 71.51 C ATOM 630 OH TYR A 37 -14.009 -6.667 7.979 1.00 52.12 O ATOM 0 H TYR A 37 -9.196 -8.377 1.613 1.00 52.04 H new ATOM 0 HA TYR A 37 -11.050 -6.368 2.452 1.00 42.31 H new ATOM 0 HB2 TYR A 37 -10.937 -8.837 3.129 1.00 73.03 H new ATOM 0 HB3 TYR A 37 -9.550 -8.437 4.122 1.00 73.03 H new ATOM 0 HD1 TYR A 37 -13.203 -7.939 3.723 1.00 73.53 H new ATOM 0 HD2 TYR A 37 -9.855 -7.282 6.295 1.00 12.54 H new ATOM 0 HE1 TYR A 37 -14.725 -7.344 5.554 1.00 12.10 H new ATOM 0 HE2 TYR A 37 -11.383 -6.694 8.128 1.00 12.40 H new ATOM 0 HH TYR A 37 -13.493 -6.446 8.782 1.00 52.12 H new ATOM 640 N ALA A 38 -7.913 -6.120 3.498 1.00 21.14 N ATOM 641 CA ALA A 38 -6.890 -5.198 4.039 1.00 20.10 C ATOM 642 C ALA A 38 -6.728 -3.940 3.137 1.00 31.15 C ATOM 643 O ALA A 38 -6.383 -2.864 3.628 1.00 40.21 O ATOM 644 CB ALA A 38 -5.549 -5.935 4.197 1.00 33.12 C ATOM 0 H ALA A 38 -7.529 -7.000 3.154 1.00 21.14 H new ATOM 0 HA ALA A 38 -7.221 -4.856 5.020 1.00 20.10 H new ATOM 0 HB1 ALA A 38 -4.802 -5.249 4.596 1.00 33.12 H new ATOM 0 HB2 ALA A 38 -5.673 -6.774 4.882 1.00 33.12 H new ATOM 0 HB3 ALA A 38 -5.220 -6.305 3.226 1.00 33.12 H new ATOM 650 N ARG A 39 -7.001 -4.096 1.820 1.00 24.34 N ATOM 651 CA ARG A 39 -6.957 -2.986 0.833 1.00 73.23 C ATOM 652 C ARG A 39 -8.174 -2.055 0.990 1.00 51.42 C ATOM 653 O ARG A 39 -8.073 -0.877 0.672 1.00 21.11 O ATOM 654 CB ARG A 39 -6.917 -3.525 -0.621 1.00 21.11 C ATOM 655 CG ARG A 39 -5.673 -4.371 -0.968 1.00 60.24 C ATOM 656 CD ARG A 39 -5.721 -4.912 -2.408 1.00 44.33 C ATOM 657 NE ARG A 39 -4.682 -5.922 -2.669 1.00 13.43 N ATOM 658 CZ ARG A 39 -4.453 -6.488 -3.836 1.00 71.10 C ATOM 659 NH1 ARG A 39 -5.100 -6.119 -4.903 1.00 41.22 N ATOM 660 NH2 ARG A 39 -3.573 -7.433 -3.925 1.00 74.30 N ATOM 0 H ARG A 39 -7.258 -4.994 1.410 1.00 24.34 H new ATOM 0 HA ARG A 39 -6.045 -2.423 1.030 1.00 73.23 H new ATOM 0 HB2 ARG A 39 -7.808 -4.128 -0.794 1.00 21.11 H new ATOM 0 HB3 ARG A 39 -6.966 -2.680 -1.308 1.00 21.11 H new ATOM 0 HG2 ARG A 39 -4.776 -3.765 -0.839 1.00 60.24 H new ATOM 0 HG3 ARG A 39 -5.597 -5.205 -0.271 1.00 60.24 H new ATOM 0 HD2 ARG A 39 -6.702 -5.349 -2.595 1.00 44.33 H new ATOM 0 HD3 ARG A 39 -5.602 -4.084 -3.107 1.00 44.33 H new ATOM 0 HE ARG A 39 -4.094 -6.205 -1.885 1.00 13.43 H new ATOM 0 HH11 ARG A 39 -5.799 -5.379 -4.845 1.00 41.22 H new ATOM 0 HH12 ARG A 39 -4.908 -6.570 -5.797 1.00 41.22 H new ATOM 0 HH21 ARG A 39 -3.063 -7.734 -3.095 1.00 74.30 H new ATOM 0 HH22 ARG A 39 -3.390 -7.876 -4.825 1.00 74.30 H new ATOM 674 N GLU A 40 -9.326 -2.601 1.443 1.00 42.33 N ATOM 675 CA GLU A 40 -10.529 -1.783 1.755 1.00 62.15 C ATOM 676 C GLU A 40 -10.182 -0.704 2.803 1.00 62.32 C ATOM 677 O GLU A 40 -10.332 0.496 2.557 1.00 31.43 O ATOM 678 CB GLU A 40 -11.695 -2.660 2.294 1.00 24.13 C ATOM 679 CG GLU A 40 -12.158 -3.798 1.367 1.00 72.12 C ATOM 680 CD GLU A 40 -12.673 -3.326 -0.005 1.00 33.03 C ATOM 681 OE1 GLU A 40 -13.774 -2.728 -0.060 1.00 74.31 O ATOM 682 OE2 GLU A 40 -12.005 -3.583 -1.028 1.00 71.12 O ATOM 0 H GLU A 40 -9.451 -3.601 1.601 1.00 42.33 H new ATOM 0 HA GLU A 40 -10.852 -1.311 0.827 1.00 62.15 H new ATOM 0 HB2 GLU A 40 -11.389 -3.094 3.246 1.00 24.13 H new ATOM 0 HB3 GLU A 40 -12.548 -2.013 2.498 1.00 24.13 H new ATOM 0 HG2 GLU A 40 -11.327 -4.487 1.213 1.00 72.12 H new ATOM 0 HG3 GLU A 40 -12.949 -4.359 1.866 1.00 72.12 H new ATOM 689 N GLN A 41 -9.675 -1.168 3.958 1.00 22.42 N ATOM 690 CA GLN A 41 -9.249 -0.299 5.066 1.00 62.25 C ATOM 691 C GLN A 41 -8.069 0.623 4.667 1.00 0.45 C ATOM 692 O GLN A 41 -8.141 1.829 4.879 1.00 52.00 O ATOM 693 CB GLN A 41 -8.880 -1.176 6.289 1.00 73.22 C ATOM 694 CG GLN A 41 -10.085 -1.921 6.913 1.00 5.22 C ATOM 695 CD GLN A 41 -11.117 -0.978 7.568 1.00 32.53 C ATOM 696 OE1 GLN A 41 -10.773 0.089 8.079 1.00 2.52 O ATOM 697 NE2 GLN A 41 -12.382 -1.353 7.559 1.00 34.52 N ATOM 0 H GLN A 41 -9.549 -2.162 4.149 1.00 22.42 H new ATOM 0 HA GLN A 41 -10.079 0.358 5.325 1.00 62.25 H new ATOM 0 HB2 GLN A 41 -8.130 -1.907 5.986 1.00 73.22 H new ATOM 0 HB3 GLN A 41 -8.421 -0.546 7.051 1.00 73.22 H new ATOM 0 HG2 GLN A 41 -10.580 -2.508 6.139 1.00 5.22 H new ATOM 0 HG3 GLN A 41 -9.720 -2.624 7.662 1.00 5.22 H new ATOM 0 HE21 GLN A 41 -12.648 -2.240 7.131 1.00 34.52 H new ATOM 0 HE22 GLN A 41 -13.094 -0.756 7.980 1.00 34.52 H new ATOM 706 N LEU A 42 -7.012 0.043 4.060 1.00 23.23 N ATOM 707 CA LEU A 42 -5.792 0.798 3.652 1.00 40.42 C ATOM 708 C LEU A 42 -6.125 1.949 2.668 1.00 40.32 C ATOM 709 O LEU A 42 -5.686 3.077 2.874 1.00 40.34 O ATOM 710 CB LEU A 42 -4.737 -0.166 3.028 1.00 63.33 C ATOM 711 CG LEU A 42 -3.389 0.471 2.536 1.00 75.34 C ATOM 712 CD1 LEU A 42 -2.655 1.217 3.676 1.00 54.52 C ATOM 713 CD2 LEU A 42 -2.482 -0.599 1.877 1.00 15.30 C ATOM 0 H LEU A 42 -6.972 -0.952 3.837 1.00 23.23 H new ATOM 0 HA LEU A 42 -5.372 1.249 4.551 1.00 40.42 H new ATOM 0 HB2 LEU A 42 -4.500 -0.932 3.767 1.00 63.33 H new ATOM 0 HB3 LEU A 42 -5.201 -0.673 2.182 1.00 63.33 H new ATOM 0 HG LEU A 42 -3.633 1.216 1.778 1.00 75.34 H new ATOM 0 HD11 LEU A 42 -1.727 1.643 3.294 1.00 54.52 H new ATOM 0 HD12 LEU A 42 -3.291 2.016 4.057 1.00 54.52 H new ATOM 0 HD13 LEU A 42 -2.429 0.518 4.481 1.00 54.52 H new ATOM 0 HD21 LEU A 42 -1.554 -0.134 1.544 1.00 15.30 H new ATOM 0 HD22 LEU A 42 -2.256 -1.381 2.602 1.00 15.30 H new ATOM 0 HD23 LEU A 42 -2.997 -1.035 1.021 1.00 15.30 H new ATOM 725 N ALA A 43 -6.931 1.653 1.630 1.00 4.24 N ATOM 726 CA ALA A 43 -7.307 2.647 0.591 1.00 50.13 C ATOM 727 C ALA A 43 -8.152 3.815 1.166 1.00 2.35 C ATOM 728 O ALA A 43 -7.987 4.958 0.755 1.00 11.22 O ATOM 729 CB ALA A 43 -8.053 1.962 -0.567 1.00 12.23 C ATOM 0 H ALA A 43 -7.339 0.730 1.483 1.00 4.24 H new ATOM 0 HA ALA A 43 -6.380 3.079 0.213 1.00 50.13 H new ATOM 0 HB1 ALA A 43 -8.320 2.705 -1.318 1.00 12.23 H new ATOM 0 HB2 ALA A 43 -7.410 1.206 -1.018 1.00 12.23 H new ATOM 0 HB3 ALA A 43 -8.958 1.488 -0.187 1.00 12.23 H new ATOM 735 N MET A 44 -9.052 3.515 2.126 1.00 21.12 N ATOM 736 CA MET A 44 -9.920 4.546 2.758 1.00 14.32 C ATOM 737 C MET A 44 -9.138 5.418 3.781 1.00 72.33 C ATOM 738 O MET A 44 -9.359 6.634 3.861 1.00 10.24 O ATOM 739 CB MET A 44 -11.156 3.882 3.422 1.00 4.25 C ATOM 740 CG MET A 44 -12.093 3.165 2.436 1.00 11.55 C ATOM 741 SD MET A 44 -13.534 2.424 3.233 1.00 75.34 S ATOM 742 CE MET A 44 -14.419 3.871 3.827 1.00 41.03 C ATOM 0 H MET A 44 -9.201 2.571 2.484 1.00 21.12 H new ATOM 0 HA MET A 44 -10.266 5.214 1.969 1.00 14.32 H new ATOM 0 HB2 MET A 44 -10.812 3.164 4.167 1.00 4.25 H new ATOM 0 HB3 MET A 44 -11.723 4.646 3.954 1.00 4.25 H new ATOM 0 HG2 MET A 44 -12.429 3.877 1.682 1.00 11.55 H new ATOM 0 HG3 MET A 44 -11.535 2.388 1.914 1.00 11.55 H new ATOM 0 HE1 MET A 44 -15.432 3.586 4.112 1.00 41.03 H new ATOM 0 HE2 MET A 44 -13.901 4.285 4.692 1.00 41.03 H new ATOM 0 HE3 MET A 44 -14.462 4.621 3.037 1.00 41.03 H new ATOM 752 N ARG A 45 -8.214 4.795 4.545 1.00 52.04 N ATOM 753 CA ARG A 45 -7.350 5.521 5.515 1.00 44.41 C ATOM 754 C ARG A 45 -6.379 6.477 4.780 1.00 12.22 C ATOM 755 O ARG A 45 -6.230 7.640 5.162 1.00 11.02 O ATOM 756 CB ARG A 45 -6.559 4.519 6.409 1.00 74.30 C ATOM 757 CG ARG A 45 -7.449 3.647 7.325 1.00 71.44 C ATOM 758 CD ARG A 45 -6.639 2.658 8.192 1.00 13.41 C ATOM 759 NE ARG A 45 -5.758 3.345 9.164 1.00 62.33 N ATOM 760 CZ ARG A 45 -4.469 3.118 9.328 1.00 10.20 C ATOM 761 NH1 ARG A 45 -3.842 2.215 8.630 1.00 71.13 N ATOM 762 NH2 ARG A 45 -3.797 3.812 10.185 1.00 74.01 N ATOM 0 H ARG A 45 -8.044 3.790 4.512 1.00 52.04 H new ATOM 0 HA ARG A 45 -7.995 6.119 6.159 1.00 44.41 H new ATOM 0 HB2 ARG A 45 -5.968 3.866 5.767 1.00 74.30 H new ATOM 0 HB3 ARG A 45 -5.857 5.078 7.028 1.00 74.30 H new ATOM 0 HG2 ARG A 45 -8.036 4.295 7.976 1.00 71.44 H new ATOM 0 HG3 ARG A 45 -8.155 3.088 6.711 1.00 71.44 H new ATOM 0 HD2 ARG A 45 -7.326 2.004 8.729 1.00 13.41 H new ATOM 0 HD3 ARG A 45 -6.034 2.023 7.544 1.00 13.41 H new ATOM 0 HE ARG A 45 -6.185 4.055 9.758 1.00 62.33 H new ATOM 0 HH11 ARG A 45 -4.348 1.664 7.937 1.00 71.13 H new ATOM 0 HH12 ARG A 45 -2.845 2.059 8.776 1.00 71.13 H new ATOM 0 HH21 ARG A 45 -4.263 4.534 10.734 1.00 74.01 H new ATOM 0 HH22 ARG A 45 -2.800 3.638 10.313 1.00 74.01 H new ATOM 776 N THR A 46 -5.747 5.971 3.707 1.00 41.23 N ATOM 777 CA THR A 46 -4.808 6.761 2.864 1.00 53.23 C ATOM 778 C THR A 46 -5.535 7.633 1.815 1.00 32.33 C ATOM 779 O THR A 46 -4.886 8.433 1.143 1.00 4.24 O ATOM 780 CB THR A 46 -3.793 5.844 2.107 1.00 2.01 C ATOM 781 OG1 THR A 46 -4.491 4.974 1.195 1.00 23.30 O ATOM 782 CG2 THR A 46 -2.940 5.003 3.064 1.00 33.41 C ATOM 0 H THR A 46 -5.866 5.008 3.393 1.00 41.23 H new ATOM 0 HA THR A 46 -4.279 7.409 3.563 1.00 53.23 H new ATOM 0 HB THR A 46 -3.122 6.502 1.554 1.00 2.01 H new ATOM 0 HG1 THR A 46 -4.958 4.277 1.701 1.00 23.30 H new ATOM 0 HG21 THR A 46 -2.252 4.384 2.489 1.00 33.41 H new ATOM 0 HG22 THR A 46 -2.373 5.662 3.721 1.00 33.41 H new ATOM 0 HG23 THR A 46 -3.588 4.364 3.663 1.00 33.41 H new ATOM 790 N ASP A 47 -6.865 7.441 1.657 1.00 60.03 N ATOM 791 CA ASP A 47 -7.703 8.158 0.652 1.00 53.22 C ATOM 792 C ASP A 47 -7.269 7.840 -0.818 1.00 1.30 C ATOM 793 O ASP A 47 -7.593 8.587 -1.749 1.00 51.10 O ATOM 794 CB ASP A 47 -7.711 9.698 0.920 1.00 4.04 C ATOM 795 CG ASP A 47 -8.272 10.071 2.304 1.00 24.41 C ATOM 796 OD1 ASP A 47 -9.484 9.889 2.530 1.00 70.21 O ATOM 797 OD2 ASP A 47 -7.506 10.550 3.173 1.00 30.22 O ATOM 0 H ASP A 47 -7.396 6.781 2.225 1.00 60.03 H new ATOM 0 HA ASP A 47 -8.722 7.789 0.767 1.00 53.22 H new ATOM 0 HB2 ASP A 47 -6.694 10.081 0.832 1.00 4.04 H new ATOM 0 HB3 ASP A 47 -8.304 10.191 0.150 1.00 4.04 H new ATOM 802 N LEU A 48 -6.562 6.705 -1.016 1.00 31.02 N ATOM 803 CA LEU A 48 -6.031 6.292 -2.338 1.00 40.02 C ATOM 804 C LEU A 48 -6.987 5.337 -3.094 1.00 40.33 C ATOM 805 O LEU A 48 -7.836 4.676 -2.498 1.00 51.10 O ATOM 806 CB LEU A 48 -4.643 5.619 -2.167 1.00 3.24 C ATOM 807 CG LEU A 48 -3.485 6.566 -1.739 1.00 1.01 C ATOM 808 CD1 LEU A 48 -2.220 5.764 -1.367 1.00 22.21 C ATOM 809 CD2 LEU A 48 -3.195 7.603 -2.851 1.00 61.32 C ATOM 0 H LEU A 48 -6.343 6.049 -0.266 1.00 31.02 H new ATOM 0 HA LEU A 48 -5.936 7.196 -2.939 1.00 40.02 H new ATOM 0 HB2 LEU A 48 -4.733 4.826 -1.425 1.00 3.24 H new ATOM 0 HB3 LEU A 48 -4.371 5.144 -3.110 1.00 3.24 H new ATOM 0 HG LEU A 48 -3.797 7.109 -0.847 1.00 1.01 H new ATOM 0 HD11 LEU A 48 -1.427 6.451 -1.072 1.00 22.21 H new ATOM 0 HD12 LEU A 48 -2.445 5.093 -0.538 1.00 22.21 H new ATOM 0 HD13 LEU A 48 -1.893 5.181 -2.228 1.00 22.21 H new ATOM 0 HD21 LEU A 48 -2.382 8.257 -2.535 1.00 61.32 H new ATOM 0 HD22 LEU A 48 -2.909 7.085 -3.766 1.00 61.32 H new ATOM 0 HD23 LEU A 48 -4.089 8.198 -3.036 1.00 61.32 H new ATOM 821 N THR A 49 -6.828 5.304 -4.431 1.00 20.25 N ATOM 822 CA THR A 49 -7.472 4.301 -5.306 1.00 12.22 C ATOM 823 C THR A 49 -6.748 2.940 -5.169 1.00 61.32 C ATOM 824 O THR A 49 -5.515 2.910 -5.099 1.00 0.33 O ATOM 825 CB THR A 49 -7.418 4.773 -6.804 1.00 33.51 C ATOM 826 OG1 THR A 49 -8.015 6.080 -6.931 1.00 70.41 O ATOM 827 CG2 THR A 49 -8.123 3.791 -7.768 1.00 22.32 C ATOM 0 H THR A 49 -6.248 5.973 -4.938 1.00 20.25 H new ATOM 0 HA THR A 49 -8.513 4.191 -5.003 1.00 12.22 H new ATOM 0 HB THR A 49 -6.365 4.807 -7.085 1.00 33.51 H new ATOM 0 HG1 THR A 49 -7.976 6.368 -7.867 1.00 70.41 H new ATOM 0 HG21 THR A 49 -8.053 4.169 -8.788 1.00 22.32 H new ATOM 0 HG22 THR A 49 -7.641 2.815 -7.709 1.00 22.32 H new ATOM 0 HG23 THR A 49 -9.172 3.695 -7.487 1.00 22.32 H new ATOM 835 N GLU A 50 -7.519 1.827 -5.183 1.00 74.14 N ATOM 836 CA GLU A 50 -6.976 0.450 -5.036 1.00 54.03 C ATOM 837 C GLU A 50 -5.885 0.138 -6.092 1.00 12.02 C ATOM 838 O GLU A 50 -4.873 -0.490 -5.778 1.00 31.21 O ATOM 839 CB GLU A 50 -8.117 -0.597 -5.143 1.00 31.40 C ATOM 840 CG GLU A 50 -9.161 -0.561 -4.009 1.00 51.30 C ATOM 841 CD GLU A 50 -10.240 -1.653 -4.168 1.00 64.01 C ATOM 842 OE1 GLU A 50 -9.964 -2.827 -3.829 1.00 3.31 O ATOM 843 OE2 GLU A 50 -11.351 -1.357 -4.666 1.00 33.04 O ATOM 0 H GLU A 50 -8.532 1.855 -5.296 1.00 74.14 H new ATOM 0 HA GLU A 50 -6.516 0.392 -4.050 1.00 54.03 H new ATOM 0 HB2 GLU A 50 -8.632 -0.451 -6.092 1.00 31.40 H new ATOM 0 HB3 GLU A 50 -7.672 -1.592 -5.172 1.00 31.40 H new ATOM 0 HG2 GLU A 50 -8.657 -0.689 -3.051 1.00 51.30 H new ATOM 0 HG3 GLU A 50 -9.639 0.418 -3.990 1.00 51.30 H new ATOM 850 N ALA A 51 -6.111 0.600 -7.338 1.00 3.02 N ATOM 851 CA ALA A 51 -5.141 0.449 -8.446 1.00 50.23 C ATOM 852 C ALA A 51 -3.784 1.134 -8.128 1.00 12.11 C ATOM 853 O ALA A 51 -2.727 0.518 -8.259 1.00 34.32 O ATOM 854 CB ALA A 51 -5.735 1.016 -9.744 1.00 20.44 C ATOM 0 H ALA A 51 -6.967 1.087 -7.606 1.00 3.02 H new ATOM 0 HA ALA A 51 -4.945 -0.616 -8.572 1.00 50.23 H new ATOM 0 HB1 ALA A 51 -5.015 0.901 -10.554 1.00 20.44 H new ATOM 0 HB2 ALA A 51 -6.649 0.477 -9.992 1.00 20.44 H new ATOM 0 HB3 ALA A 51 -5.963 2.073 -9.608 1.00 20.44 H new ATOM 860 N ARG A 52 -3.840 2.407 -7.674 1.00 60.34 N ATOM 861 CA ARG A 52 -2.628 3.209 -7.354 1.00 42.25 C ATOM 862 C ARG A 52 -1.860 2.647 -6.121 1.00 5.13 C ATOM 863 O ARG A 52 -0.630 2.769 -6.038 1.00 14.24 O ATOM 864 CB ARG A 52 -3.012 4.709 -7.164 1.00 22.41 C ATOM 865 CG ARG A 52 -1.820 5.643 -6.810 1.00 62.20 C ATOM 866 CD ARG A 52 -2.047 7.114 -7.212 1.00 12.31 C ATOM 867 NE ARG A 52 -3.248 7.723 -6.602 1.00 64.11 N ATOM 868 CZ ARG A 52 -3.959 8.692 -7.154 1.00 73.32 C ATOM 869 NH1 ARG A 52 -3.693 9.130 -8.350 1.00 72.15 N ATOM 870 NH2 ARG A 52 -4.959 9.201 -6.518 1.00 62.20 N ATOM 0 H ARG A 52 -4.716 2.907 -7.519 1.00 60.34 H new ATOM 0 HA ARG A 52 -1.942 3.134 -8.198 1.00 42.25 H new ATOM 0 HB2 ARG A 52 -3.479 5.070 -8.080 1.00 22.41 H new ATOM 0 HB3 ARG A 52 -3.760 4.782 -6.375 1.00 22.41 H new ATOM 0 HG2 ARG A 52 -1.636 5.593 -5.737 1.00 62.20 H new ATOM 0 HG3 ARG A 52 -0.921 5.275 -7.305 1.00 62.20 H new ATOM 0 HD2 ARG A 52 -1.171 7.697 -6.927 1.00 12.31 H new ATOM 0 HD3 ARG A 52 -2.132 7.175 -8.297 1.00 12.31 H new ATOM 0 HE ARG A 52 -3.549 7.372 -5.693 1.00 64.11 H new ATOM 0 HH11 ARG A 52 -2.923 8.725 -8.882 1.00 72.15 H new ATOM 0 HH12 ARG A 52 -4.255 9.878 -8.756 1.00 72.15 H new ATOM 0 HH21 ARG A 52 -5.202 8.856 -5.589 1.00 62.20 H new ATOM 0 HH22 ARG A 52 -5.507 9.948 -6.944 1.00 62.20 H new ATOM 884 N VAL A 53 -2.601 2.020 -5.185 1.00 73.43 N ATOM 885 CA VAL A 53 -2.011 1.273 -4.045 1.00 13.11 C ATOM 886 C VAL A 53 -1.119 0.108 -4.564 1.00 13.54 C ATOM 887 O VAL A 53 0.052 0.002 -4.190 1.00 41.40 O ATOM 888 CB VAL A 53 -3.143 0.721 -3.089 1.00 32.45 C ATOM 889 CG1 VAL A 53 -2.582 -0.216 -1.990 1.00 64.44 C ATOM 890 CG2 VAL A 53 -3.942 1.882 -2.448 1.00 53.43 C ATOM 0 H VAL A 53 -3.621 2.014 -5.194 1.00 73.43 H new ATOM 0 HA VAL A 53 -1.388 1.959 -3.472 1.00 13.11 H new ATOM 0 HB VAL A 53 -3.816 0.129 -3.710 1.00 32.45 H new ATOM 0 HG11 VAL A 53 -3.399 -0.568 -1.360 1.00 64.44 H new ATOM 0 HG12 VAL A 53 -2.089 -1.069 -2.456 1.00 64.44 H new ATOM 0 HG13 VAL A 53 -1.862 0.329 -1.379 1.00 64.44 H new ATOM 0 HG21 VAL A 53 -4.714 1.475 -1.795 1.00 53.43 H new ATOM 0 HG22 VAL A 53 -3.268 2.510 -1.865 1.00 53.43 H new ATOM 0 HG23 VAL A 53 -4.407 2.480 -3.232 1.00 53.43 H new ATOM 900 N GLN A 54 -1.688 -0.717 -5.472 1.00 70.42 N ATOM 901 CA GLN A 54 -0.987 -1.884 -6.074 1.00 35.34 C ATOM 902 C GLN A 54 0.283 -1.460 -6.847 1.00 21.24 C ATOM 903 O GLN A 54 1.338 -2.074 -6.687 1.00 4.33 O ATOM 904 CB GLN A 54 -1.934 -2.654 -7.029 1.00 73.12 C ATOM 905 CG GLN A 54 -3.214 -3.184 -6.362 1.00 20.14 C ATOM 906 CD GLN A 54 -4.184 -3.841 -7.345 1.00 65.24 C ATOM 907 OE1 GLN A 54 -3.779 -4.453 -8.329 1.00 44.02 O ATOM 908 NE2 GLN A 54 -5.472 -3.696 -7.105 1.00 31.13 N ATOM 0 H GLN A 54 -2.643 -0.597 -5.810 1.00 70.42 H new ATOM 0 HA GLN A 54 -0.686 -2.533 -5.251 1.00 35.34 H new ATOM 0 HB2 GLN A 54 -2.213 -1.997 -7.852 1.00 73.12 H new ATOM 0 HB3 GLN A 54 -1.390 -3.493 -7.462 1.00 73.12 H new ATOM 0 HG2 GLN A 54 -2.942 -3.907 -5.594 1.00 20.14 H new ATOM 0 HG3 GLN A 54 -3.721 -2.360 -5.859 1.00 20.14 H new ATOM 0 HE21 GLN A 54 -5.782 -3.183 -6.280 1.00 31.13 H new ATOM 0 HE22 GLN A 54 -6.158 -4.097 -7.744 1.00 31.13 H new ATOM 917 N VAL A 55 0.149 -0.395 -7.671 1.00 40.32 N ATOM 918 CA VAL A 55 1.265 0.172 -8.473 1.00 32.15 C ATOM 919 C VAL A 55 2.482 0.531 -7.585 1.00 33.22 C ATOM 920 O VAL A 55 3.627 0.232 -7.949 1.00 73.32 O ATOM 921 CB VAL A 55 0.799 1.433 -9.300 1.00 33.40 C ATOM 922 CG1 VAL A 55 1.984 2.129 -10.030 1.00 71.21 C ATOM 923 CG2 VAL A 55 -0.306 1.041 -10.313 1.00 24.13 C ATOM 0 H VAL A 55 -0.735 0.097 -7.801 1.00 40.32 H new ATOM 0 HA VAL A 55 1.575 -0.602 -9.175 1.00 32.15 H new ATOM 0 HB VAL A 55 0.391 2.151 -8.589 1.00 33.40 H new ATOM 0 HG11 VAL A 55 1.614 2.991 -10.585 1.00 71.21 H new ATOM 0 HG12 VAL A 55 2.720 2.459 -9.297 1.00 71.21 H new ATOM 0 HG13 VAL A 55 2.450 1.426 -10.720 1.00 71.21 H new ATOM 0 HG21 VAL A 55 -0.615 1.923 -10.874 1.00 24.13 H new ATOM 0 HG22 VAL A 55 0.081 0.290 -11.002 1.00 24.13 H new ATOM 0 HG23 VAL A 55 -1.163 0.634 -9.777 1.00 24.13 H new ATOM 933 N TRP A 56 2.218 1.138 -6.408 1.00 41.23 N ATOM 934 CA TRP A 56 3.271 1.456 -5.418 1.00 73.33 C ATOM 935 C TRP A 56 4.031 0.173 -4.991 1.00 11.50 C ATOM 936 O TRP A 56 5.257 0.133 -5.049 1.00 51.30 O ATOM 937 CB TRP A 56 2.675 2.151 -4.169 1.00 63.14 C ATOM 938 CG TRP A 56 3.718 2.655 -3.179 1.00 11.35 C ATOM 939 CD1 TRP A 56 4.304 3.890 -3.169 1.00 73.51 C ATOM 940 CD2 TRP A 56 4.300 1.937 -2.070 1.00 11.51 C ATOM 941 NE1 TRP A 56 5.188 3.989 -2.128 1.00 53.40 N ATOM 942 CE2 TRP A 56 5.210 2.808 -1.446 1.00 62.33 C ATOM 943 CE3 TRP A 56 4.139 0.645 -1.550 1.00 73.33 C ATOM 944 CZ2 TRP A 56 5.942 2.445 -0.326 1.00 60.01 C ATOM 945 CZ3 TRP A 56 4.876 0.279 -0.443 1.00 4.04 C ATOM 946 CH2 TRP A 56 5.768 1.177 0.159 1.00 34.34 C ATOM 0 H TRP A 56 1.281 1.419 -6.119 1.00 41.23 H new ATOM 0 HA TRP A 56 3.972 2.141 -5.895 1.00 73.33 H new ATOM 0 HB2 TRP A 56 2.061 2.992 -4.493 1.00 63.14 H new ATOM 0 HB3 TRP A 56 2.013 1.451 -3.658 1.00 63.14 H new ATOM 0 HD1 TRP A 56 4.099 4.676 -3.881 1.00 73.51 H new ATOM 0 HE1 TRP A 56 5.742 4.814 -1.899 1.00 53.40 H new ATOM 0 HE3 TRP A 56 3.451 -0.050 -2.008 1.00 73.33 H new ATOM 0 HZ2 TRP A 56 6.624 3.137 0.146 1.00 60.01 H new ATOM 0 HZ3 TRP A 56 4.764 -0.714 -0.034 1.00 4.04 H new ATOM 0 HH2 TRP A 56 6.331 0.861 1.025 1.00 34.34 H new ATOM 957 N PHE A 57 3.270 -0.865 -4.574 1.00 71.42 N ATOM 958 CA PHE A 57 3.835 -2.170 -4.137 1.00 33.43 C ATOM 959 C PHE A 57 4.612 -2.893 -5.272 1.00 54.34 C ATOM 960 O PHE A 57 5.553 -3.637 -4.996 1.00 1.52 O ATOM 961 CB PHE A 57 2.714 -3.095 -3.572 1.00 15.20 C ATOM 962 CG PHE A 57 2.225 -2.710 -2.171 1.00 73.33 C ATOM 963 CD1 PHE A 57 2.913 -3.141 -1.039 1.00 3.20 C ATOM 964 CD2 PHE A 57 1.093 -1.921 -1.983 1.00 51.54 C ATOM 965 CE1 PHE A 57 2.487 -2.795 0.229 1.00 43.31 C ATOM 966 CE2 PHE A 57 0.667 -1.576 -0.713 1.00 12.02 C ATOM 967 CZ PHE A 57 1.366 -2.011 0.391 1.00 31.23 C ATOM 0 H PHE A 57 2.252 -0.826 -4.530 1.00 71.42 H new ATOM 0 HA PHE A 57 4.552 -1.953 -3.345 1.00 33.43 H new ATOM 0 HB2 PHE A 57 1.866 -3.079 -4.257 1.00 15.20 H new ATOM 0 HB3 PHE A 57 3.084 -4.120 -3.546 1.00 15.20 H new ATOM 0 HD1 PHE A 57 3.794 -3.756 -1.154 1.00 3.20 H new ATOM 0 HD2 PHE A 57 0.539 -1.573 -2.842 1.00 51.54 H new ATOM 0 HE1 PHE A 57 3.034 -3.140 1.094 1.00 43.31 H new ATOM 0 HE2 PHE A 57 -0.215 -0.965 -0.587 1.00 12.02 H new ATOM 0 HZ PHE A 57 1.036 -1.738 1.382 1.00 31.23 H new ATOM 977 N GLN A 58 4.220 -2.654 -6.539 1.00 35.10 N ATOM 978 CA GLN A 58 4.909 -3.229 -7.721 1.00 35.43 C ATOM 979 C GLN A 58 6.300 -2.575 -7.934 1.00 11.20 C ATOM 980 O GLN A 58 7.294 -3.278 -8.140 1.00 65.22 O ATOM 981 CB GLN A 58 4.024 -3.085 -8.991 1.00 12.31 C ATOM 982 CG GLN A 58 2.721 -3.912 -8.947 1.00 62.41 C ATOM 983 CD GLN A 58 1.859 -3.756 -10.207 1.00 14.31 C ATOM 984 OE1 GLN A 58 0.997 -2.886 -10.290 1.00 32.14 O ATOM 985 NE2 GLN A 58 2.090 -4.595 -11.200 1.00 71.32 N ATOM 0 H GLN A 58 3.424 -2.062 -6.775 1.00 35.10 H new ATOM 0 HA GLN A 58 5.071 -4.291 -7.535 1.00 35.43 H new ATOM 0 HB2 GLN A 58 3.770 -2.034 -9.127 1.00 12.31 H new ATOM 0 HB3 GLN A 58 4.605 -3.388 -9.862 1.00 12.31 H new ATOM 0 HG2 GLN A 58 2.971 -4.965 -8.815 1.00 62.41 H new ATOM 0 HG3 GLN A 58 2.138 -3.611 -8.077 1.00 62.41 H new ATOM 0 HE21 GLN A 58 2.812 -5.309 -11.107 1.00 71.32 H new ATOM 0 HE22 GLN A 58 1.546 -4.529 -12.061 1.00 71.32 H new ATOM 994 N ASN A 59 6.361 -1.226 -7.861 1.00 43.24 N ATOM 995 CA ASN A 59 7.649 -0.480 -7.947 1.00 75.53 C ATOM 996 C ASN A 59 8.520 -0.709 -6.687 1.00 51.22 C ATOM 997 O ASN A 59 9.747 -0.711 -6.769 1.00 74.44 O ATOM 998 CB ASN A 59 7.415 1.038 -8.162 1.00 13.55 C ATOM 999 CG ASN A 59 6.801 1.364 -9.525 1.00 40.42 C ATOM 1000 OD1 ASN A 59 7.508 1.489 -10.522 1.00 24.23 O ATOM 1001 ND2 ASN A 59 5.498 1.546 -9.578 1.00 52.31 N ATOM 0 H ASN A 59 5.542 -0.630 -7.743 1.00 43.24 H new ATOM 0 HA ASN A 59 8.184 -0.871 -8.813 1.00 75.53 H new ATOM 0 HB2 ASN A 59 6.760 1.413 -7.376 1.00 13.55 H new ATOM 0 HB3 ASN A 59 8.365 1.563 -8.063 1.00 13.55 H new ATOM 0 HD21 ASN A 59 5.054 1.797 -10.461 1.00 52.31 H new ATOM 0 HD22 ASN A 59 4.933 1.436 -8.736 1.00 52.31 H new ATOM 1008 N ARG A 60 7.862 -0.927 -5.537 1.00 12.35 N ATOM 1009 CA ARG A 60 8.530 -1.235 -4.253 1.00 12.22 C ATOM 1010 C ARG A 60 9.242 -2.609 -4.326 1.00 64.43 C ATOM 1011 O ARG A 60 10.361 -2.764 -3.834 1.00 55.33 O ATOM 1012 CB ARG A 60 7.483 -1.218 -3.111 1.00 21.55 C ATOM 1013 CG ARG A 60 8.028 -1.471 -1.685 1.00 3.21 C ATOM 1014 CD ARG A 60 8.825 -0.290 -1.089 1.00 51.42 C ATOM 1015 NE ARG A 60 10.163 -0.115 -1.680 1.00 64.11 N ATOM 1016 CZ ARG A 60 10.908 0.965 -1.551 1.00 63.41 C ATOM 1017 NH1 ARG A 60 10.485 2.003 -0.898 1.00 31.15 N ATOM 1018 NH2 ARG A 60 12.089 0.985 -2.062 1.00 12.54 N ATOM 0 H ARG A 60 6.845 -0.895 -5.467 1.00 12.35 H new ATOM 0 HA ARG A 60 9.287 -0.477 -4.051 1.00 12.22 H new ATOM 0 HB2 ARG A 60 6.981 -0.251 -3.120 1.00 21.55 H new ATOM 0 HB3 ARG A 60 6.726 -1.972 -3.328 1.00 21.55 H new ATOM 0 HG2 ARG A 60 7.192 -1.699 -1.024 1.00 3.21 H new ATOM 0 HG3 ARG A 60 8.668 -2.353 -1.705 1.00 3.21 H new ATOM 0 HD2 ARG A 60 8.254 0.628 -1.228 1.00 51.42 H new ATOM 0 HD3 ARG A 60 8.930 -0.440 -0.015 1.00 51.42 H new ATOM 0 HE ARG A 60 10.541 -0.887 -2.230 1.00 64.11 H new ATOM 0 HH11 ARG A 60 9.559 1.994 -0.471 1.00 31.15 H new ATOM 0 HH12 ARG A 60 11.079 2.828 -0.811 1.00 31.15 H new ATOM 0 HH21 ARG A 60 12.442 0.169 -2.562 1.00 12.54 H new ATOM 0 HH22 ARG A 60 12.672 1.817 -1.967 1.00 12.54 H new ATOM 1032 N ARG A 61 8.571 -3.593 -4.960 1.00 72.15 N ATOM 1033 CA ARG A 61 9.153 -4.926 -5.250 1.00 55.23 C ATOM 1034 C ARG A 61 10.238 -4.853 -6.359 1.00 4.22 C ATOM 1035 O ARG A 61 11.144 -5.690 -6.394 1.00 63.35 O ATOM 1036 CB ARG A 61 8.033 -5.927 -5.646 1.00 3.21 C ATOM 1037 CG ARG A 61 7.165 -6.417 -4.460 1.00 55.01 C ATOM 1038 CD ARG A 61 6.034 -7.365 -4.911 1.00 32.21 C ATOM 1039 NE ARG A 61 5.406 -8.084 -3.779 1.00 63.23 N ATOM 1040 CZ ARG A 61 5.721 -9.305 -3.392 1.00 30.11 C ATOM 1041 NH1 ARG A 61 6.733 -9.938 -3.903 1.00 41.00 N ATOM 1042 NH2 ARG A 61 5.029 -9.882 -2.469 1.00 62.02 N ATOM 0 H ARG A 61 7.610 -3.489 -5.286 1.00 72.15 H new ATOM 0 HA ARG A 61 9.640 -5.280 -4.342 1.00 55.23 H new ATOM 0 HB2 ARG A 61 7.385 -5.455 -6.384 1.00 3.21 H new ATOM 0 HB3 ARG A 61 8.489 -6.792 -6.128 1.00 3.21 H new ATOM 0 HG2 ARG A 61 7.799 -6.930 -3.737 1.00 55.01 H new ATOM 0 HG3 ARG A 61 6.732 -5.556 -3.950 1.00 55.01 H new ATOM 0 HD2 ARG A 61 5.273 -6.790 -5.439 1.00 32.21 H new ATOM 0 HD3 ARG A 61 6.434 -8.090 -5.620 1.00 32.21 H new ATOM 0 HE ARG A 61 4.675 -7.599 -3.259 1.00 63.23 H new ATOM 0 HH11 ARG A 61 7.304 -9.491 -4.620 1.00 41.00 H new ATOM 0 HH12 ARG A 61 6.957 -10.882 -3.587 1.00 41.00 H new ATOM 0 HH21 ARG A 61 4.242 -9.394 -2.042 1.00 62.02 H new ATOM 0 HH22 ARG A 61 5.269 -10.826 -2.167 1.00 62.02 H new ATOM 1056 N ALA A 62 10.132 -3.857 -7.259 1.00 63.44 N ATOM 1057 CA ALA A 62 11.170 -3.588 -8.288 1.00 0.33 C ATOM 1058 C ALA A 62 12.446 -2.965 -7.663 1.00 74.53 C ATOM 1059 O ALA A 62 13.549 -3.102 -8.201 1.00 13.55 O ATOM 1060 CB ALA A 62 10.601 -2.679 -9.390 1.00 32.34 C ATOM 0 H ALA A 62 9.337 -3.220 -7.299 1.00 63.44 H new ATOM 0 HA ALA A 62 11.459 -4.541 -8.732 1.00 0.33 H new ATOM 0 HB1 ALA A 62 11.371 -2.489 -10.138 1.00 32.34 H new ATOM 0 HB2 ALA A 62 9.749 -3.169 -9.862 1.00 32.34 H new ATOM 0 HB3 ALA A 62 10.279 -1.734 -8.952 1.00 32.34 H new ATOM 1066 N LYS A 63 12.279 -2.250 -6.536 1.00 12.31 N ATOM 1067 CA LYS A 63 13.413 -1.744 -5.732 1.00 42.54 C ATOM 1068 C LYS A 63 13.958 -2.844 -4.790 1.00 2.00 C ATOM 1069 O LYS A 63 15.136 -2.832 -4.417 1.00 63.04 O ATOM 1070 CB LYS A 63 12.983 -0.499 -4.921 1.00 24.22 C ATOM 1071 CG LYS A 63 12.416 0.697 -5.733 1.00 25.14 C ATOM 1072 CD LYS A 63 13.445 1.450 -6.638 1.00 22.11 C ATOM 1073 CE LYS A 63 13.577 0.903 -8.089 1.00 63.03 C ATOM 1074 NZ LYS A 63 14.665 -0.100 -8.256 1.00 21.15 N ATOM 0 H LYS A 63 11.364 -2.007 -6.157 1.00 12.31 H new ATOM 0 HA LYS A 63 14.214 -1.457 -6.414 1.00 42.54 H new ATOM 0 HB2 LYS A 63 12.229 -0.808 -4.197 1.00 24.22 H new ATOM 0 HB3 LYS A 63 13.845 -0.148 -4.353 1.00 24.22 H new ATOM 0 HG2 LYS A 63 11.604 0.333 -6.363 1.00 25.14 H new ATOM 0 HG3 LYS A 63 11.981 1.413 -5.035 1.00 25.14 H new ATOM 0 HD2 LYS A 63 13.160 2.501 -6.688 1.00 22.11 H new ATOM 0 HD3 LYS A 63 14.424 1.407 -6.160 1.00 22.11 H new ATOM 0 HE2 LYS A 63 12.630 0.451 -8.385 1.00 63.03 H new ATOM 0 HE3 LYS A 63 13.757 1.737 -8.767 1.00 63.03 H new ATOM 0 HZ1 LYS A 63 15.216 0.124 -9.109 1.00 21.15 H new ATOM 0 HZ2 LYS A 63 15.289 -0.077 -7.424 1.00 21.15 H new ATOM 0 HZ3 LYS A 63 14.251 -1.049 -8.351 1.00 21.15 H new ATOM 1088 N TRP A 64 13.080 -3.790 -4.414 1.00 51.40 N ATOM 1089 CA TRP A 64 13.422 -4.906 -3.508 1.00 65.04 C ATOM 1090 C TRP A 64 14.225 -6.012 -4.246 1.00 2.43 C ATOM 1091 O TRP A 64 15.171 -6.577 -3.689 1.00 21.11 O ATOM 1092 CB TRP A 64 12.115 -5.484 -2.891 1.00 30.34 C ATOM 1093 CG TRP A 64 12.334 -6.537 -1.825 1.00 52.33 C ATOM 1094 CD1 TRP A 64 12.597 -6.323 -0.500 1.00 65.42 C ATOM 1095 CD2 TRP A 64 12.314 -7.963 -2.001 1.00 42.51 C ATOM 1096 NE1 TRP A 64 12.749 -7.521 0.147 1.00 63.32 N ATOM 1097 CE2 TRP A 64 12.576 -8.542 -0.749 1.00 23.00 C ATOM 1098 CE3 TRP A 64 12.093 -8.799 -3.099 1.00 21.51 C ATOM 1099 CZ2 TRP A 64 12.637 -9.921 -0.564 1.00 33.45 C ATOM 1100 CZ3 TRP A 64 12.153 -10.168 -2.919 1.00 50.03 C ATOM 1101 CH2 TRP A 64 12.419 -10.719 -1.657 1.00 13.55 C ATOM 0 H TRP A 64 12.110 -3.804 -4.729 1.00 51.40 H new ATOM 0 HA TRP A 64 14.061 -4.528 -2.710 1.00 65.04 H new ATOM 0 HB2 TRP A 64 11.538 -4.665 -2.461 1.00 30.34 H new ATOM 0 HB3 TRP A 64 11.511 -5.914 -3.690 1.00 30.34 H new ATOM 0 HD1 TRP A 64 12.674 -5.352 -0.033 1.00 65.42 H new ATOM 0 HE1 TRP A 64 12.958 -7.634 1.139 1.00 63.32 H new ATOM 0 HE3 TRP A 64 11.879 -8.382 -4.072 1.00 21.51 H new ATOM 0 HZ2 TRP A 64 12.848 -10.346 0.406 1.00 33.45 H new ATOM 0 HZ3 TRP A 64 11.993 -10.823 -3.763 1.00 50.03 H new ATOM 0 HH2 TRP A 64 12.453 -11.793 -1.544 1.00 13.55 H new ATOM 1112 N ARG A 65 13.846 -6.310 -5.504 1.00 14.41 N ATOM 1113 CA ARG A 65 14.474 -7.397 -6.304 1.00 43.23 C ATOM 1114 C ARG A 65 14.998 -6.870 -7.666 1.00 54.23 C ATOM 1115 O ARG A 65 14.359 -6.032 -8.307 1.00 33.34 O ATOM 1116 CB ARG A 65 13.456 -8.550 -6.505 1.00 64.00 C ATOM 1117 CG ARG A 65 14.068 -9.846 -7.084 1.00 73.24 C ATOM 1118 CD ARG A 65 13.071 -11.018 -7.093 1.00 0.50 C ATOM 1119 NE ARG A 65 13.697 -12.266 -7.561 1.00 23.05 N ATOM 1120 CZ ARG A 65 13.310 -12.972 -8.596 1.00 14.45 C ATOM 1121 NH1 ARG A 65 12.348 -12.561 -9.375 1.00 4.33 N ATOM 1122 NH2 ARG A 65 13.926 -14.079 -8.866 1.00 64.32 N ATOM 0 H ARG A 65 13.104 -5.813 -5.997 1.00 14.41 H new ATOM 0 HA ARG A 65 15.336 -7.777 -5.757 1.00 43.23 H new ATOM 0 HB2 ARG A 65 12.990 -8.779 -5.546 1.00 64.00 H new ATOM 0 HB3 ARG A 65 12.664 -8.207 -7.171 1.00 64.00 H new ATOM 0 HG2 ARG A 65 14.412 -9.658 -8.101 1.00 73.24 H new ATOM 0 HG3 ARG A 65 14.944 -10.123 -6.498 1.00 73.24 H new ATOM 0 HD2 ARG A 65 12.674 -11.165 -6.089 1.00 0.50 H new ATOM 0 HD3 ARG A 65 12.226 -10.772 -7.737 1.00 0.50 H new ATOM 0 HE ARG A 65 14.500 -12.611 -7.035 1.00 23.05 H new ATOM 0 HH11 ARG A 65 11.881 -11.674 -9.184 1.00 4.33 H new ATOM 0 HH12 ARG A 65 12.063 -13.126 -10.175 1.00 4.33 H new ATOM 0 HH21 ARG A 65 14.699 -14.389 -8.277 1.00 64.32 H new ATOM 0 HH22 ARG A 65 13.638 -14.641 -9.667 1.00 64.32 H new ATOM 1136 N LYS A 66 16.159 -7.398 -8.107 1.00 53.02 N ATOM 1137 CA LYS A 66 16.872 -6.913 -9.316 1.00 24.14 C ATOM 1138 C LYS A 66 17.430 -8.071 -10.197 1.00 24.31 C ATOM 1139 O LYS A 66 17.406 -7.973 -11.433 1.00 12.13 O ATOM 1140 CB LYS A 66 18.027 -5.967 -8.870 1.00 55.31 C ATOM 1141 CG LYS A 66 18.907 -5.425 -10.017 1.00 13.51 C ATOM 1142 CD LYS A 66 20.014 -4.459 -9.536 1.00 44.53 C ATOM 1143 CE LYS A 66 20.931 -4.004 -10.689 1.00 33.32 C ATOM 1144 NZ LYS A 66 20.172 -3.364 -11.803 1.00 35.23 N ATOM 0 H LYS A 66 16.631 -8.171 -7.639 1.00 53.02 H new ATOM 0 HA LYS A 66 16.154 -6.377 -9.936 1.00 24.14 H new ATOM 0 HB2 LYS A 66 17.597 -5.122 -8.332 1.00 55.31 H new ATOM 0 HB3 LYS A 66 18.664 -6.503 -8.166 1.00 55.31 H new ATOM 0 HG2 LYS A 66 19.368 -6.264 -10.539 1.00 13.51 H new ATOM 0 HG3 LYS A 66 18.274 -4.910 -10.739 1.00 13.51 H new ATOM 0 HD2 LYS A 66 19.555 -3.586 -9.072 1.00 44.53 H new ATOM 0 HD3 LYS A 66 20.614 -4.949 -8.769 1.00 44.53 H new ATOM 0 HE2 LYS A 66 21.670 -3.300 -10.306 1.00 33.32 H new ATOM 0 HE3 LYS A 66 21.479 -4.864 -11.074 1.00 33.32 H new ATOM 0 HZ1 LYS A 66 20.839 -2.970 -12.497 1.00 35.23 H new ATOM 0 HZ2 LYS A 66 19.570 -4.075 -12.266 1.00 35.23 H new ATOM 0 HZ3 LYS A 66 19.577 -2.600 -11.424 1.00 35.23 H new ATOM 1158 N ARG A 67 17.931 -9.148 -9.554 1.00 23.14 N ATOM 1159 CA ARG A 67 18.681 -10.240 -10.241 1.00 72.00 C ATOM 1160 C ARG A 67 17.866 -10.952 -11.363 1.00 74.11 C ATOM 1161 O ARG A 67 18.163 -10.762 -12.550 1.00 22.31 O ATOM 1162 CB ARG A 67 19.204 -11.263 -9.199 1.00 43.11 C ATOM 1163 CG ARG A 67 20.345 -10.748 -8.289 1.00 13.31 C ATOM 1164 CD ARG A 67 21.626 -10.408 -9.080 1.00 44.25 C ATOM 1165 NE ARG A 67 22.749 -10.017 -8.207 1.00 2.21 N ATOM 1166 CZ ARG A 67 23.143 -8.779 -7.964 1.00 61.34 C ATOM 1167 NH1 ARG A 67 22.532 -7.746 -8.472 1.00 23.23 N ATOM 1168 NH2 ARG A 67 24.175 -8.586 -7.206 1.00 3.55 N ATOM 0 H ARG A 67 17.832 -9.291 -8.549 1.00 23.14 H new ATOM 0 HA ARG A 67 19.524 -9.769 -10.746 1.00 72.00 H new ATOM 0 HB2 ARG A 67 18.371 -11.575 -8.569 1.00 43.11 H new ATOM 0 HB3 ARG A 67 19.554 -12.150 -9.727 1.00 43.11 H new ATOM 0 HG2 ARG A 67 20.006 -9.861 -7.754 1.00 13.31 H new ATOM 0 HG3 ARG A 67 20.576 -11.504 -7.538 1.00 13.31 H new ATOM 0 HD2 ARG A 67 21.919 -11.272 -9.677 1.00 44.25 H new ATOM 0 HD3 ARG A 67 21.413 -9.597 -9.776 1.00 44.25 H new ATOM 0 HE ARG A 67 23.267 -10.768 -7.751 1.00 2.21 H new ATOM 0 HH11 ARG A 67 21.723 -7.879 -9.078 1.00 23.23 H new ATOM 0 HH12 ARG A 67 22.863 -6.804 -8.263 1.00 23.23 H new ATOM 0 HH21 ARG A 67 24.671 -9.383 -6.807 1.00 3.55 H new ATOM 0 HH22 ARG A 67 24.492 -7.637 -7.008 1.00 3.55 H new ATOM 1182 N GLU A 68 16.869 -11.790 -11.002 1.00 40.11 N ATOM 1183 CA GLU A 68 15.980 -12.432 -12.008 1.00 60.22 C ATOM 1184 C GLU A 68 14.630 -11.690 -12.116 1.00 2.33 C ATOM 1185 O GLU A 68 14.241 -10.948 -11.205 1.00 33.30 O ATOM 1186 CB GLU A 68 15.707 -13.930 -11.677 1.00 12.22 C ATOM 1187 CG GLU A 68 16.957 -14.822 -11.469 1.00 14.52 C ATOM 1188 CD GLU A 68 17.441 -14.874 -10.007 1.00 2.31 C ATOM 1189 OE1 GLU A 68 16.693 -15.400 -9.150 1.00 10.44 O ATOM 1190 OE2 GLU A 68 18.562 -14.422 -9.707 1.00 21.00 O ATOM 0 H GLU A 68 16.658 -12.038 -10.036 1.00 40.11 H new ATOM 0 HA GLU A 68 16.506 -12.374 -12.961 1.00 60.22 H new ATOM 0 HB2 GLU A 68 15.099 -13.976 -10.774 1.00 12.22 H new ATOM 0 HB3 GLU A 68 15.112 -14.357 -12.484 1.00 12.22 H new ATOM 0 HG2 GLU A 68 16.731 -15.834 -11.804 1.00 14.52 H new ATOM 0 HG3 GLU A 68 17.766 -14.451 -12.098 1.00 14.52 H new ATOM 1197 N ARG A 69 13.912 -11.911 -13.233 1.00 14.13 N ATOM 1198 CA ARG A 69 12.534 -11.390 -13.421 1.00 1.55 C ATOM 1199 C ARG A 69 11.480 -12.404 -12.901 1.00 71.40 C ATOM 1200 O ARG A 69 10.443 -11.997 -12.366 1.00 25.33 O ATOM 1201 CB ARG A 69 12.280 -11.027 -14.915 1.00 10.23 C ATOM 1202 CG ARG A 69 12.403 -12.202 -15.916 1.00 61.24 C ATOM 1203 CD ARG A 69 12.205 -11.762 -17.380 1.00 61.42 C ATOM 1204 NE ARG A 69 13.226 -10.792 -17.813 1.00 41.35 N ATOM 1205 CZ ARG A 69 13.309 -10.246 -19.008 1.00 44.42 C ATOM 1206 NH1 ARG A 69 12.479 -10.554 -19.961 1.00 41.13 N ATOM 1207 NH2 ARG A 69 14.254 -9.397 -19.245 1.00 23.43 N ATOM 0 H ARG A 69 14.261 -12.449 -14.026 1.00 14.13 H new ATOM 0 HA ARG A 69 12.432 -10.478 -12.833 1.00 1.55 H new ATOM 0 HB2 ARG A 69 11.281 -10.601 -15.003 1.00 10.23 H new ATOM 0 HB3 ARG A 69 12.985 -10.249 -15.207 1.00 10.23 H new ATOM 0 HG2 ARG A 69 13.385 -12.663 -15.809 1.00 61.24 H new ATOM 0 HG3 ARG A 69 11.665 -12.964 -15.667 1.00 61.24 H new ATOM 0 HD2 ARG A 69 12.240 -12.637 -18.028 1.00 61.42 H new ATOM 0 HD3 ARG A 69 11.215 -11.320 -17.494 1.00 61.42 H new ATOM 0 HE ARG A 69 13.930 -10.520 -17.127 1.00 41.35 H new ATOM 0 HH11 ARG A 69 11.739 -11.235 -19.792 1.00 41.13 H new ATOM 0 HH12 ARG A 69 12.568 -10.114 -20.877 1.00 41.13 H new ATOM 0 HH21 ARG A 69 14.922 -9.159 -18.511 1.00 23.43 H new ATOM 0 HH22 ARG A 69 14.332 -8.965 -20.166 1.00 23.43 H new ATOM 1221 N PHE A 70 11.784 -13.718 -13.059 1.00 51.40 N ATOM 1222 CA PHE A 70 10.909 -14.852 -12.648 1.00 44.32 C ATOM 1223 C PHE A 70 9.487 -14.759 -13.274 1.00 24.42 C ATOM 1224 O PHE A 70 8.589 -14.108 -12.725 1.00 52.52 O ATOM 1225 CB PHE A 70 10.848 -14.976 -11.096 1.00 74.55 C ATOM 1226 CG PHE A 70 10.008 -16.145 -10.572 1.00 42.21 C ATOM 1227 CD1 PHE A 70 10.435 -17.464 -10.738 1.00 74.40 C ATOM 1228 CD2 PHE A 70 8.787 -15.927 -9.925 1.00 34.24 C ATOM 1229 CE1 PHE A 70 9.676 -18.523 -10.266 1.00 4.50 C ATOM 1230 CE2 PHE A 70 8.032 -16.988 -9.456 1.00 34.41 C ATOM 1231 CZ PHE A 70 8.475 -18.285 -9.629 1.00 74.21 C ATOM 0 H PHE A 70 12.659 -14.027 -13.483 1.00 51.40 H new ATOM 0 HA PHE A 70 11.359 -15.764 -13.040 1.00 44.32 H new ATOM 0 HB2 PHE A 70 11.864 -15.079 -10.715 1.00 74.55 H new ATOM 0 HB3 PHE A 70 10.447 -14.048 -10.688 1.00 74.55 H new ATOM 0 HD1 PHE A 70 11.370 -17.662 -11.241 1.00 74.40 H new ATOM 0 HD2 PHE A 70 8.429 -14.917 -9.790 1.00 34.24 H new ATOM 0 HE1 PHE A 70 10.025 -19.537 -10.397 1.00 4.50 H new ATOM 0 HE2 PHE A 70 7.094 -16.801 -8.954 1.00 34.41 H new ATOM 0 HZ PHE A 70 7.882 -19.112 -9.266 1.00 74.21 H new ATOM 1241 N GLY A 71 9.301 -15.409 -14.433 1.00 52.42 N ATOM 1242 CA GLY A 71 8.012 -15.395 -15.140 1.00 72.22 C ATOM 1243 C GLY A 71 7.905 -16.462 -16.227 1.00 73.24 C ATOM 1244 O GLY A 71 8.808 -17.295 -16.390 1.00 45.32 O ATOM 0 H GLY A 71 10.028 -15.951 -14.900 1.00 52.42 H new ATOM 0 HA2 GLY A 71 7.208 -15.541 -14.418 1.00 72.22 H new ATOM 0 HA3 GLY A 71 7.863 -14.413 -15.589 1.00 72.22 H new ATOM 1248 N GLN A 72 6.783 -16.438 -16.967 1.00 1.43 N ATOM 1249 CA GLN A 72 6.538 -17.358 -18.100 1.00 61.43 C ATOM 1250 C GLN A 72 7.433 -16.973 -19.302 1.00 2.11 C ATOM 1251 O GLN A 72 8.101 -17.830 -19.891 1.00 13.34 O ATOM 1252 CB GLN A 72 5.019 -17.333 -18.455 1.00 41.33 C ATOM 1253 CG GLN A 72 4.546 -18.313 -19.569 1.00 5.11 C ATOM 1254 CD GLN A 72 4.491 -17.695 -20.973 1.00 41.52 C ATOM 1255 OE1 GLN A 72 5.443 -17.758 -21.744 1.00 40.04 O ATOM 1256 NE2 GLN A 72 3.378 -17.064 -21.299 1.00 44.43 N ATOM 0 H GLN A 72 6.019 -15.783 -16.800 1.00 1.43 H new ATOM 0 HA GLN A 72 6.802 -18.379 -17.825 1.00 61.43 H new ATOM 0 HB2 GLN A 72 4.454 -17.550 -17.548 1.00 41.33 H new ATOM 0 HB3 GLN A 72 4.757 -16.320 -18.759 1.00 41.33 H new ATOM 0 HG2 GLN A 72 5.216 -19.172 -19.589 1.00 5.11 H new ATOM 0 HG3 GLN A 72 3.555 -18.687 -19.311 1.00 5.11 H new ATOM 0 HE21 GLN A 72 2.601 -17.026 -20.639 1.00 44.43 H new ATOM 0 HE22 GLN A 72 3.295 -16.614 -22.211 1.00 44.43 H new ATOM 1265 N MET A 73 7.457 -15.669 -19.638 1.00 72.02 N ATOM 1266 CA MET A 73 8.350 -15.128 -20.686 1.00 63.53 C ATOM 1267 C MET A 73 8.742 -13.662 -20.355 1.00 40.42 C ATOM 1268 O MET A 73 9.838 -13.404 -19.833 1.00 53.22 O ATOM 1269 CB MET A 73 7.683 -15.235 -22.089 1.00 14.14 C ATOM 1270 CG MET A 73 8.607 -14.858 -23.255 1.00 75.23 C ATOM 1271 SD MET A 73 10.086 -15.898 -23.316 1.00 13.33 S ATOM 1272 CE MET A 73 11.015 -15.154 -24.659 1.00 73.50 C ATOM 0 H MET A 73 6.865 -14.965 -19.197 1.00 72.02 H new ATOM 0 HA MET A 73 9.262 -15.724 -20.710 1.00 63.53 H new ATOM 0 HB2 MET A 73 7.331 -16.256 -22.235 1.00 14.14 H new ATOM 0 HB3 MET A 73 6.805 -14.589 -22.112 1.00 14.14 H new ATOM 0 HG2 MET A 73 8.061 -14.950 -24.194 1.00 75.23 H new ATOM 0 HG3 MET A 73 8.903 -13.813 -23.159 1.00 75.23 H new ATOM 0 HE1 MET A 73 11.948 -15.699 -24.801 1.00 73.50 H new ATOM 0 HE2 MET A 73 10.427 -15.196 -25.576 1.00 73.50 H new ATOM 0 HE3 MET A 73 11.235 -14.114 -24.417 1.00 73.50 H new ATOM 1282 N GLN A 74 7.817 -12.717 -20.624 1.00 20.45 N ATOM 1283 CA GLN A 74 8.047 -11.263 -20.451 1.00 73.10 C ATOM 1284 C GLN A 74 6.726 -10.488 -20.678 1.00 74.51 C ATOM 1285 O GLN A 74 5.981 -10.792 -21.614 1.00 61.21 O ATOM 1286 CB GLN A 74 9.143 -10.768 -21.443 1.00 21.00 C ATOM 1287 CG GLN A 74 9.477 -9.261 -21.363 1.00 30.44 C ATOM 1288 CD GLN A 74 10.628 -8.839 -22.290 1.00 70.42 C ATOM 1289 OE1 GLN A 74 11.557 -9.603 -22.550 1.00 31.51 O ATOM 1290 NE2 GLN A 74 10.577 -7.624 -22.797 1.00 1.12 N ATOM 0 H GLN A 74 6.884 -12.940 -20.969 1.00 20.45 H new ATOM 0 HA GLN A 74 8.392 -11.079 -19.434 1.00 73.10 H new ATOM 0 HB2 GLN A 74 10.056 -11.335 -21.262 1.00 21.00 H new ATOM 0 HB3 GLN A 74 8.821 -10.998 -22.459 1.00 21.00 H new ATOM 0 HG2 GLN A 74 8.587 -8.686 -21.617 1.00 30.44 H new ATOM 0 HG3 GLN A 74 9.737 -9.009 -20.335 1.00 30.44 H new ATOM 0 HE21 GLN A 74 9.797 -7.008 -22.568 1.00 1.12 H new ATOM 0 HE22 GLN A 74 11.317 -7.299 -23.419 1.00 1.12 H new ATOM 1299 N GLN A 75 6.443 -9.492 -19.817 1.00 41.21 N ATOM 1300 CA GLN A 75 5.239 -8.625 -19.939 1.00 22.20 C ATOM 1301 C GLN A 75 5.491 -7.421 -20.903 1.00 1.32 C ATOM 1302 O GLN A 75 6.590 -6.817 -20.857 1.00 38.24 O ATOM 1303 CB GLN A 75 4.744 -8.174 -18.519 1.00 20.24 C ATOM 1304 CG GLN A 75 5.805 -7.544 -17.566 1.00 1.44 C ATOM 1305 CD GLN A 75 6.049 -6.040 -17.760 1.00 21.15 C ATOM 1306 OE1 GLN A 75 5.161 -5.297 -18.171 1.00 42.14 O ATOM 1307 NE2 GLN A 75 7.247 -5.577 -17.446 1.00 71.30 N ATOM 1308 OXT GLN A 75 4.587 -7.077 -21.704 1.00 38.24 O ATOM 0 H GLN A 75 7.034 -9.261 -19.019 1.00 41.21 H new ATOM 0 HA GLN A 75 4.437 -9.207 -20.392 1.00 22.20 H new ATOM 0 HB2 GLN A 75 3.939 -7.451 -18.655 1.00 20.24 H new ATOM 0 HB3 GLN A 75 4.313 -9.041 -18.019 1.00 20.24 H new ATOM 0 HG2 GLN A 75 5.491 -7.715 -16.536 1.00 1.44 H new ATOM 0 HG3 GLN A 75 6.750 -8.070 -17.703 1.00 1.44 H new ATOM 0 HE21 GLN A 75 7.967 -6.215 -17.107 1.00 71.30 H new ATOM 0 HE22 GLN A 75 7.451 -4.582 -17.543 1.00 71.30 H new TER 1317 GLN A 75