USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 577 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 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0994 X(o=-0.099,f=-0.44) USER MOD Single : A 19 ASN : amide:sc=-0.00223 X(o=-0.0022,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 55 HIS : no HD1:sc= -0.0741 K(o=-0.074,f=-0.74) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 25 N THR A 3 7.057 -4.305 -2.381 1.00 22.14 N ATOM 26 CA THR A 3 8.441 -4.656 -2.672 1.00 23.30 C ATOM 27 C THR A 3 9.108 -5.309 -1.467 1.00 23.42 C ATOM 28 O THR A 3 8.784 -4.996 -0.321 1.00 32.40 O ATOM 29 CB THR A 3 9.259 -3.419 -3.089 1.00 71.31 C ATOM 30 OG1 THR A 3 10.621 -3.790 -3.327 1.00 44.00 O ATOM 31 CG2 THR A 3 9.201 -2.344 -2.014 1.00 72.51 C ATOM 0 HA THR A 3 8.419 -5.364 -3.500 1.00 23.30 H new ATOM 0 HB THR A 3 8.827 -3.017 -4.006 1.00 71.31 H new ATOM 0 HG1 THR A 3 11.134 -2.999 -3.593 1.00 44.00 H new ATOM 0 HG21 THR A 3 9.786 -1.481 -2.331 1.00 72.51 H new ATOM 0 HG22 THR A 3 8.165 -2.043 -1.856 1.00 72.51 H new ATOM 0 HG23 THR A 3 9.610 -2.738 -1.083 1.00 72.51 H new ATOM 39 N ILE A 4 10.042 -6.217 -1.733 1.00 15.03 N ATOM 40 CA ILE A 4 10.755 -6.912 -0.669 1.00 21.41 C ATOM 41 C ILE A 4 11.338 -5.926 0.338 1.00 63.53 C ATOM 42 O ILE A 4 11.273 -6.147 1.547 1.00 13.42 O ATOM 43 CB ILE A 4 11.891 -7.787 -1.231 1.00 43.13 C ATOM 44 CG1 ILE A 4 11.329 -8.834 -2.195 1.00 42.33 C ATOM 45 CG2 ILE A 4 12.654 -8.457 -0.099 1.00 30.45 C ATOM 46 CD1 ILE A 4 10.287 -9.734 -1.569 1.00 40.21 C ATOM 0 H ILE A 4 10.322 -6.488 -2.676 1.00 15.03 H new ATOM 0 HA ILE A 4 10.028 -7.552 -0.168 1.00 21.41 H new ATOM 0 HB ILE A 4 12.583 -7.149 -1.781 1.00 43.13 H new ATOM 0 HG12 ILE A 4 10.890 -8.327 -3.054 1.00 42.33 H new ATOM 0 HG13 ILE A 4 12.148 -9.447 -2.571 1.00 42.33 H new ATOM 0 HG21 ILE A 4 13.453 -9.072 -0.513 1.00 30.45 H new ATOM 0 HG22 ILE A 4 13.082 -7.695 0.552 1.00 30.45 H new ATOM 0 HG23 ILE A 4 11.974 -9.085 0.476 1.00 30.45 H new ATOM 0 HD11 ILE A 4 9.933 -10.451 -2.310 1.00 40.21 H new ATOM 0 HD12 ILE A 4 10.727 -10.269 -0.727 1.00 40.21 H new ATOM 0 HD13 ILE A 4 9.449 -9.131 -1.218 1.00 40.21 H new ATOM 58 N ASP A 5 11.907 -4.838 -0.170 1.00 31.42 N ATOM 59 CA ASP A 5 12.499 -3.816 0.685 1.00 64.03 C ATOM 60 C ASP A 5 11.500 -3.338 1.733 1.00 31.14 C ATOM 61 O ASP A 5 11.882 -2.938 2.833 1.00 4.20 O ATOM 62 CB ASP A 5 12.979 -2.633 -0.157 1.00 42.41 C ATOM 63 CG ASP A 5 14.481 -2.438 -0.080 1.00 72.30 C ATOM 64 OD1 ASP A 5 14.946 -1.777 0.872 1.00 33.44 O ATOM 65 OD2 ASP A 5 15.191 -2.948 -0.972 1.00 1.24 O ATOM 0 H ASP A 5 11.971 -4.641 -1.169 1.00 31.42 H new ATOM 0 HA ASP A 5 13.353 -4.257 1.199 1.00 64.03 H new ATOM 0 HB2 ASP A 5 12.689 -2.789 -1.196 1.00 42.41 H new ATOM 0 HB3 ASP A 5 12.480 -1.725 0.180 1.00 42.41 H new ATOM 70 N ASP A 6 10.219 -3.382 1.385 1.00 13.02 N ATOM 71 CA ASP A 6 9.164 -2.953 2.296 1.00 33.52 C ATOM 72 C ASP A 6 9.121 -3.843 3.535 1.00 3.52 C ATOM 73 O ASP A 6 8.822 -3.378 4.635 1.00 53.14 O ATOM 74 CB ASP A 6 7.808 -2.979 1.589 1.00 50.24 C ATOM 75 CG ASP A 6 6.708 -2.352 2.423 1.00 72.54 C ATOM 76 OD1 ASP A 6 7.016 -1.452 3.231 1.00 22.41 O ATOM 77 OD2 ASP A 6 5.538 -2.763 2.267 1.00 3.04 O ATOM 0 H ASP A 6 9.886 -3.710 0.479 1.00 13.02 H new ATOM 0 HA ASP A 6 9.382 -1.932 2.610 1.00 33.52 H new ATOM 0 HB2 ASP A 6 7.886 -2.450 0.639 1.00 50.24 H new ATOM 0 HB3 ASP A 6 7.542 -4.010 1.358 1.00 50.24 H new ATOM 82 N ALA A 7 9.422 -5.123 3.349 1.00 63.54 N ATOM 83 CA ALA A 7 9.420 -6.077 4.451 1.00 75.21 C ATOM 84 C ALA A 7 10.498 -5.737 5.474 1.00 14.42 C ATOM 85 O ALA A 7 10.245 -5.733 6.679 1.00 12.12 O ATOM 86 CB ALA A 7 9.616 -7.492 3.926 1.00 52.45 C ATOM 0 H ALA A 7 9.671 -5.524 2.445 1.00 63.54 H new ATOM 0 HA ALA A 7 8.452 -6.017 4.948 1.00 75.21 H new ATOM 0 HB1 ALA A 7 9.612 -8.193 4.760 1.00 52.45 H new ATOM 0 HB2 ALA A 7 8.807 -7.741 3.239 1.00 52.45 H new ATOM 0 HB3 ALA A 7 10.569 -7.557 3.402 1.00 52.45 H new ATOM 92 N PHE A 8 11.701 -5.452 4.987 1.00 55.51 N ATOM 93 CA PHE A 8 12.818 -5.111 5.860 1.00 60.22 C ATOM 94 C PHE A 8 12.575 -3.777 6.560 1.00 71.24 C ATOM 95 O PHE A 8 13.013 -3.569 7.691 1.00 10.21 O ATOM 96 CB PHE A 8 14.119 -5.049 5.057 1.00 22.21 C ATOM 97 CG PHE A 8 14.309 -6.217 4.131 1.00 15.42 C ATOM 98 CD1 PHE A 8 14.060 -7.509 4.564 1.00 11.14 C ATOM 99 CD2 PHE A 8 14.736 -6.022 2.828 1.00 52.54 C ATOM 100 CE1 PHE A 8 14.233 -8.585 3.715 1.00 73.42 C ATOM 101 CE2 PHE A 8 14.910 -7.094 1.973 1.00 10.04 C ATOM 102 CZ PHE A 8 14.659 -8.378 2.418 1.00 44.52 C ATOM 0 H PHE A 8 11.927 -5.450 3.992 1.00 55.51 H new ATOM 0 HA PHE A 8 12.904 -5.888 6.619 1.00 60.22 H new ATOM 0 HB2 PHE A 8 14.133 -4.128 4.474 1.00 22.21 H new ATOM 0 HB3 PHE A 8 14.961 -5.003 5.748 1.00 22.21 H new ATOM 0 HD1 PHE A 8 13.727 -7.677 5.577 1.00 11.14 H new ATOM 0 HD2 PHE A 8 14.935 -5.021 2.476 1.00 52.54 H new ATOM 0 HE1 PHE A 8 14.035 -9.587 4.065 1.00 73.42 H new ATOM 0 HE2 PHE A 8 15.242 -6.928 0.959 1.00 10.04 H new ATOM 0 HZ PHE A 8 14.796 -9.218 1.753 1.00 44.52 H new ATOM 112 N ARG A 9 11.874 -2.877 5.878 1.00 62.24 N ATOM 113 CA ARG A 9 11.574 -1.563 6.432 1.00 11.31 C ATOM 114 C ARG A 9 10.424 -1.644 7.432 1.00 62.00 C ATOM 115 O ARG A 9 10.391 -0.907 8.416 1.00 4.55 O ATOM 116 CB ARG A 9 11.222 -0.582 5.312 1.00 13.33 C ATOM 117 CG ARG A 9 12.435 -0.034 4.578 1.00 32.04 C ATOM 118 CD ARG A 9 12.057 1.117 3.659 1.00 60.20 C ATOM 119 NE ARG A 9 13.186 2.008 3.405 1.00 20.30 N ATOM 120 CZ ARG A 9 13.123 3.064 2.601 1.00 33.44 C ATOM 121 NH1 ARG A 9 11.991 3.359 1.977 1.00 33.05 N ATOM 122 NH2 ARG A 9 14.193 3.827 2.421 1.00 21.30 N ATOM 0 H ARG A 9 11.503 -3.034 4.941 1.00 62.24 H new ATOM 0 HA ARG A 9 12.462 -1.205 6.954 1.00 11.31 H new ATOM 0 HB2 ARG A 9 10.569 -1.081 4.596 1.00 13.33 H new ATOM 0 HB3 ARG A 9 10.657 0.249 5.733 1.00 13.33 H new ATOM 0 HG2 ARG A 9 13.177 0.305 5.301 1.00 32.04 H new ATOM 0 HG3 ARG A 9 12.899 -0.830 3.995 1.00 32.04 H new ATOM 0 HD2 ARG A 9 11.689 0.720 2.713 1.00 60.20 H new ATOM 0 HD3 ARG A 9 11.241 1.685 4.106 1.00 60.20 H new ATOM 0 HE ARG A 9 14.071 1.809 3.870 1.00 20.30 H new ATOM 0 HH11 ARG A 9 11.166 2.775 2.114 1.00 33.05 H new ATOM 0 HH12 ARG A 9 11.945 4.170 1.360 1.00 33.05 H new ATOM 0 HH21 ARG A 9 15.065 3.603 2.900 1.00 21.30 H new ATOM 0 HH22 ARG A 9 14.143 4.637 1.804 1.00 21.30 H new ATOM 136 N ALA A 10 9.483 -2.545 7.171 1.00 33.12 N ATOM 137 CA ALA A 10 8.333 -2.724 8.049 1.00 55.15 C ATOM 138 C ALA A 10 8.719 -3.483 9.313 1.00 4.44 C ATOM 139 O ALA A 10 8.083 -3.334 10.357 1.00 52.41 O ATOM 140 CB ALA A 10 7.217 -3.453 7.314 1.00 12.41 C ATOM 0 H ALA A 10 9.494 -3.162 6.359 1.00 33.12 H new ATOM 0 HA ALA A 10 7.976 -1.737 8.344 1.00 55.15 H new ATOM 0 HB1 ALA A 10 6.364 -3.580 7.981 1.00 12.41 H new ATOM 0 HB2 ALA A 10 6.913 -2.871 6.444 1.00 12.41 H new ATOM 0 HB3 ALA A 10 7.573 -4.431 6.990 1.00 12.41 H new ATOM 146 N ILE A 11 9.765 -4.296 9.213 1.00 22.12 N ATOM 147 CA ILE A 11 10.236 -5.077 10.350 1.00 63.40 C ATOM 148 C ILE A 11 10.425 -4.198 11.581 1.00 4.21 C ATOM 149 O ILE A 11 10.301 -4.664 12.713 1.00 4.42 O ATOM 150 CB ILE A 11 11.565 -5.789 10.032 1.00 13.13 C ATOM 151 CG1 ILE A 11 11.722 -7.036 10.905 1.00 72.14 C ATOM 152 CG2 ILE A 11 12.736 -4.840 10.239 1.00 61.42 C ATOM 153 CD1 ILE A 11 12.275 -8.230 10.158 1.00 10.22 C ATOM 0 H ILE A 11 10.302 -4.431 8.357 1.00 22.12 H new ATOM 0 HA ILE A 11 9.472 -5.826 10.556 1.00 63.40 H new ATOM 0 HB ILE A 11 11.554 -6.099 8.987 1.00 13.13 H new ATOM 0 HG12 ILE A 11 12.381 -6.804 11.741 1.00 72.14 H new ATOM 0 HG13 ILE A 11 10.752 -7.299 11.327 1.00 72.14 H new ATOM 0 HG21 ILE A 11 13.668 -5.357 10.011 1.00 61.42 H new ATOM 0 HG22 ILE A 11 12.628 -3.979 9.579 1.00 61.42 H new ATOM 0 HG23 ILE A 11 12.753 -4.503 11.276 1.00 61.42 H new ATOM 0 HD11 ILE A 11 12.360 -9.077 10.838 1.00 10.22 H new ATOM 0 HD12 ILE A 11 11.605 -8.488 9.338 1.00 10.22 H new ATOM 0 HD13 ILE A 11 13.259 -7.985 9.759 1.00 10.22 H new ATOM 165 N GLU A 12 10.725 -2.923 11.351 1.00 75.12 N ATOM 166 CA GLU A 12 10.930 -1.978 12.442 1.00 35.01 C ATOM 167 C GLU A 12 9.727 -1.962 13.381 1.00 32.02 C ATOM 168 O GLU A 12 9.865 -1.720 14.580 1.00 2.22 O ATOM 169 CB GLU A 12 11.178 -0.573 11.890 1.00 52.13 C ATOM 170 CG GLU A 12 11.387 0.477 12.968 1.00 31.10 C ATOM 171 CD GLU A 12 11.440 1.885 12.409 1.00 50.34 C ATOM 172 OE1 GLU A 12 10.527 2.254 11.641 1.00 13.33 O ATOM 173 OE2 GLU A 12 12.396 2.619 12.739 1.00 35.40 O ATOM 0 H GLU A 12 10.831 -2.521 10.419 1.00 75.12 H new ATOM 0 HA GLU A 12 11.806 -2.299 13.006 1.00 35.01 H new ATOM 0 HB2 GLU A 12 12.054 -0.596 11.242 1.00 52.13 H new ATOM 0 HB3 GLU A 12 10.331 -0.281 11.270 1.00 52.13 H new ATOM 0 HG2 GLU A 12 10.579 0.410 13.697 1.00 31.10 H new ATOM 0 HG3 GLU A 12 12.315 0.266 13.500 1.00 31.10 H new ATOM 180 N ARG A 13 8.547 -2.221 12.827 1.00 61.24 N ATOM 181 CA ARG A 13 7.320 -2.235 13.613 1.00 33.01 C ATOM 182 C ARG A 13 7.231 -3.501 14.461 1.00 42.23 C ATOM 183 O ARG A 13 6.752 -3.469 15.594 1.00 52.24 O ATOM 184 CB ARG A 13 6.100 -2.137 12.695 1.00 14.45 C ATOM 185 CG ARG A 13 5.092 -1.086 13.133 1.00 72.32 C ATOM 186 CD ARG A 13 4.883 -0.032 12.057 1.00 70.44 C ATOM 187 NE ARG A 13 3.908 0.977 12.461 1.00 73.23 N ATOM 188 CZ ARG A 13 2.594 0.789 12.413 1.00 15.24 C ATOM 189 NH1 ARG A 13 2.100 -0.363 11.982 1.00 21.53 N ATOM 190 NH2 ARG A 13 1.770 1.756 12.798 1.00 31.34 N ATOM 0 H ARG A 13 8.415 -2.424 11.836 1.00 61.24 H new ATOM 0 HA ARG A 13 7.336 -1.372 14.279 1.00 33.01 H new ATOM 0 HB2 ARG A 13 6.434 -1.908 11.683 1.00 14.45 H new ATOM 0 HB3 ARG A 13 5.606 -3.108 12.656 1.00 14.45 H new ATOM 0 HG2 ARG A 13 4.141 -1.566 13.363 1.00 72.32 H new ATOM 0 HG3 ARG A 13 5.438 -0.608 14.050 1.00 72.32 H new ATOM 0 HD2 ARG A 13 5.834 0.452 11.834 1.00 70.44 H new ATOM 0 HD3 ARG A 13 4.547 -0.513 11.139 1.00 70.44 H new ATOM 0 HE ARG A 13 4.255 1.875 12.798 1.00 73.23 H new ATOM 0 HH11 ARG A 13 2.730 -1.109 11.686 1.00 21.53 H new ATOM 0 HH12 ARG A 13 1.090 -0.504 11.947 1.00 21.53 H new ATOM 0 HH21 ARG A 13 2.146 2.644 13.131 1.00 31.34 H new ATOM 0 HH22 ARG A 13 0.761 1.611 12.761 1.00 31.34 H new ATOM 204 N ALA A 14 7.697 -4.614 13.903 1.00 15.21 N ATOM 205 CA ALA A 14 7.671 -5.889 14.608 1.00 64.52 C ATOM 206 C ALA A 14 8.476 -5.818 15.901 1.00 64.30 C ATOM 207 O ALA A 14 7.988 -6.190 16.968 1.00 31.43 O ATOM 208 CB ALA A 14 8.205 -6.998 13.712 1.00 12.21 C ATOM 0 H ALA A 14 8.097 -4.658 12.966 1.00 15.21 H new ATOM 0 HA ALA A 14 6.636 -6.112 14.867 1.00 64.52 H new ATOM 0 HB1 ALA A 14 8.180 -7.945 14.251 1.00 12.21 H new ATOM 0 HB2 ALA A 14 7.586 -7.073 12.818 1.00 12.21 H new ATOM 0 HB3 ALA A 14 9.232 -6.771 13.425 1.00 12.21 H new ATOM 214 N ILE A 15 9.711 -5.339 15.798 1.00 64.11 N ATOM 215 CA ILE A 15 10.583 -5.219 16.960 1.00 61.30 C ATOM 216 C ILE A 15 10.040 -4.196 17.952 1.00 70.05 C ATOM 217 O ILE A 15 10.187 -4.354 19.163 1.00 13.32 O ATOM 218 CB ILE A 15 12.012 -4.814 16.552 1.00 20.24 C ATOM 219 CG1 ILE A 15 12.923 -4.771 17.781 1.00 41.42 C ATOM 220 CG2 ILE A 15 12.000 -3.466 15.847 1.00 34.22 C ATOM 221 CD1 ILE A 15 14.142 -5.659 17.661 1.00 12.41 C ATOM 0 H ILE A 15 10.130 -5.028 14.922 1.00 64.11 H new ATOM 0 HA ILE A 15 10.614 -6.200 17.434 1.00 61.30 H new ATOM 0 HB ILE A 15 12.402 -5.560 15.860 1.00 20.24 H new ATOM 0 HG12 ILE A 15 13.247 -3.744 17.947 1.00 41.42 H new ATOM 0 HG13 ILE A 15 12.350 -5.071 18.659 1.00 41.42 H new ATOM 0 HG21 ILE A 15 13.017 -3.194 15.565 1.00 34.22 H new ATOM 0 HG22 ILE A 15 11.380 -3.529 14.953 1.00 34.22 H new ATOM 0 HG23 ILE A 15 11.594 -2.708 16.517 1.00 34.22 H new ATOM 0 HD11 ILE A 15 14.742 -5.578 18.568 1.00 12.41 H new ATOM 0 HD12 ILE A 15 13.827 -6.694 17.525 1.00 12.41 H new ATOM 0 HD13 ILE A 15 14.737 -5.346 16.803 1.00 12.41 H new ATOM 233 N GLN A 16 9.411 -3.149 17.428 1.00 50.21 N ATOM 234 CA GLN A 16 8.845 -2.100 18.268 1.00 74.12 C ATOM 235 C GLN A 16 7.808 -2.673 19.229 1.00 51.33 C ATOM 236 O GLN A 16 7.551 -2.105 20.290 1.00 31.40 O ATOM 237 CB GLN A 16 8.208 -1.012 17.402 1.00 43.34 C ATOM 238 CG GLN A 16 9.116 0.184 17.163 1.00 10.21 C ATOM 239 CD GLN A 16 8.460 1.499 17.538 1.00 62.42 C ATOM 240 OE1 GLN A 16 7.755 1.590 18.543 1.00 24.54 O ATOM 241 NE2 GLN A 16 8.689 2.527 16.729 1.00 23.50 N ATOM 0 H GLN A 16 9.281 -3.005 16.427 1.00 50.21 H new ATOM 0 HA GLN A 16 9.654 -1.662 18.853 1.00 74.12 H new ATOM 0 HB2 GLN A 16 7.927 -1.442 16.441 1.00 43.34 H new ATOM 0 HB3 GLN A 16 7.289 -0.671 17.879 1.00 43.34 H new ATOM 0 HG2 GLN A 16 10.032 0.061 17.741 1.00 10.21 H new ATOM 0 HG3 GLN A 16 9.404 0.213 16.112 1.00 10.21 H new ATOM 0 HE21 GLN A 16 9.280 2.407 15.906 1.00 23.50 H new ATOM 0 HE22 GLN A 16 8.274 3.437 16.930 1.00 23.50 H new ATOM 250 N ALA A 17 7.215 -3.800 18.849 1.00 41.13 N ATOM 251 CA ALA A 17 6.208 -4.450 19.677 1.00 34.14 C ATOM 252 C ALA A 17 6.714 -4.650 21.102 1.00 52.21 C ATOM 253 O ALA A 17 6.023 -4.325 22.067 1.00 53.23 O ATOM 254 CB ALA A 17 5.803 -5.784 19.067 1.00 12.22 C ATOM 0 H ALA A 17 7.415 -4.282 17.972 1.00 41.13 H new ATOM 0 HA ALA A 17 5.333 -3.801 19.717 1.00 34.14 H new ATOM 0 HB1 ALA A 17 5.050 -6.258 19.696 1.00 12.22 H new ATOM 0 HB2 ALA A 17 5.392 -5.619 18.071 1.00 12.22 H new ATOM 0 HB3 ALA A 17 6.677 -6.432 18.996 1.00 12.22 H new ATOM 260 N GLU A 18 7.924 -5.187 21.225 1.00 14.24 N ATOM 261 CA GLU A 18 8.521 -5.431 22.533 1.00 15.22 C ATOM 262 C GLU A 18 7.677 -6.412 23.342 1.00 73.01 C ATOM 263 O GLU A 18 7.171 -6.077 24.412 1.00 50.40 O ATOM 264 CB GLU A 18 8.672 -4.117 23.303 1.00 50.15 C ATOM 265 CG GLU A 18 9.299 -3.001 22.484 1.00 52.13 C ATOM 266 CD GLU A 18 10.536 -2.420 23.140 1.00 12.43 C ATOM 267 OE1 GLU A 18 10.486 -2.143 24.357 1.00 23.13 O ATOM 268 OE2 GLU A 18 11.553 -2.241 22.438 1.00 33.00 O ATOM 0 H GLU A 18 8.509 -5.461 20.436 1.00 14.24 H new ATOM 0 HA GLU A 18 9.507 -5.868 22.377 1.00 15.22 H new ATOM 0 HB2 GLU A 18 7.691 -3.794 23.650 1.00 50.15 H new ATOM 0 HB3 GLU A 18 9.282 -4.293 24.189 1.00 50.15 H new ATOM 0 HG2 GLU A 18 9.561 -3.383 21.497 1.00 52.13 H new ATOM 0 HG3 GLU A 18 8.565 -2.209 22.335 1.00 52.13 H new ATOM 275 N ASN A 19 7.529 -7.626 22.821 1.00 44.11 N ATOM 276 CA ASN A 19 6.746 -8.656 23.493 1.00 21.21 C ATOM 277 C ASN A 19 5.283 -8.240 23.606 1.00 74.24 C ATOM 278 O ASN A 19 4.918 -7.448 24.474 1.00 73.41 O ATOM 279 CB ASN A 19 7.317 -8.934 24.885 1.00 5.41 C ATOM 280 CG ASN A 19 7.021 -10.342 25.362 1.00 74.33 C ATOM 281 OD1 ASN A 19 6.226 -10.544 26.280 1.00 71.31 O ATOM 282 ND2 ASN A 19 7.660 -11.325 24.738 1.00 40.11 N ATOM 0 H ASN A 19 7.941 -7.920 21.936 1.00 44.11 H new ATOM 0 HA ASN A 19 6.802 -9.566 22.896 1.00 21.21 H new ATOM 0 HB2 ASN A 19 8.396 -8.778 24.870 1.00 5.41 H new ATOM 0 HB3 ASN A 19 6.901 -8.218 25.594 1.00 5.41 H new ATOM 0 HD21 ASN A 19 7.500 -12.294 25.015 1.00 40.11 H new ATOM 0 HD22 ASN A 19 8.311 -11.111 23.982 1.00 40.11 H new ATOM 289 N GLU A 20 4.450 -8.781 22.721 1.00 13.45 N ATOM 290 CA GLU A 20 3.026 -8.465 22.722 1.00 41.00 C ATOM 291 C GLU A 20 2.196 -9.694 22.362 1.00 42.25 C ATOM 292 O GLU A 20 1.418 -10.191 23.174 1.00 14.31 O ATOM 293 CB GLU A 20 2.732 -7.331 21.738 1.00 42.22 C ATOM 294 CG GLU A 20 3.174 -5.964 22.234 1.00 33.43 C ATOM 295 CD GLU A 20 2.083 -4.919 22.111 1.00 14.54 C ATOM 296 OE1 GLU A 20 1.025 -5.085 22.754 1.00 22.12 O ATOM 297 OE2 GLU A 20 2.287 -3.933 21.372 1.00 1.11 O ATOM 0 H GLU A 20 4.736 -9.439 21.996 1.00 13.45 H new ATOM 0 HA GLU A 20 2.752 -8.144 23.727 1.00 41.00 H new ATOM 0 HB2 GLU A 20 3.231 -7.544 20.792 1.00 42.22 H new ATOM 0 HB3 GLU A 20 1.661 -7.306 21.535 1.00 42.22 H new ATOM 0 HG2 GLU A 20 3.482 -6.042 23.277 1.00 33.43 H new ATOM 0 HG3 GLU A 20 4.047 -5.641 21.667 1.00 33.43 H new ATOM 304 N GLY A 21 2.369 -10.179 21.136 1.00 41.35 N ATOM 305 CA GLY A 21 1.630 -11.344 20.688 1.00 74.42 C ATOM 306 C GLY A 21 1.442 -11.369 19.184 1.00 71.51 C ATOM 307 O GLY A 21 1.410 -12.438 18.573 1.00 31.14 O ATOM 0 H GLY A 21 3.008 -9.785 20.445 1.00 41.35 H new ATOM 0 HA2 GLY A 21 2.156 -12.246 21.000 1.00 74.42 H new ATOM 0 HA3 GLY A 21 0.654 -11.360 21.173 1.00 74.42 H new ATOM 311 N ARG A 22 1.316 -10.190 18.585 1.00 11.31 N ATOM 312 CA ARG A 22 1.127 -10.081 17.144 1.00 42.15 C ATOM 313 C ARG A 22 2.461 -10.189 16.411 1.00 64.11 C ATOM 314 O ARG A 22 2.503 -10.485 15.217 1.00 61.25 O ATOM 315 CB ARG A 22 0.448 -8.755 16.795 1.00 20.13 C ATOM 316 CG ARG A 22 1.368 -7.551 16.912 1.00 14.51 C ATOM 317 CD ARG A 22 0.696 -6.407 17.655 1.00 15.43 C ATOM 318 NE ARG A 22 0.071 -5.453 16.742 1.00 3.24 N ATOM 319 CZ ARG A 22 0.746 -4.519 16.081 1.00 11.23 C ATOM 320 NH1 ARG A 22 2.059 -4.414 16.231 1.00 61.14 N ATOM 321 NH2 ARG A 22 0.107 -3.687 15.268 1.00 32.33 N ATOM 0 H ARG A 22 1.341 -9.296 19.076 1.00 11.31 H new ATOM 0 HA ARG A 22 0.488 -10.904 16.824 1.00 42.15 H new ATOM 0 HB2 ARG A 22 0.064 -8.810 15.777 1.00 20.13 H new ATOM 0 HB3 ARG A 22 -0.410 -8.612 17.452 1.00 20.13 H new ATOM 0 HG2 ARG A 22 2.281 -7.839 17.433 1.00 14.51 H new ATOM 0 HG3 ARG A 22 1.661 -7.217 15.917 1.00 14.51 H new ATOM 0 HD2 ARG A 22 -0.058 -6.808 18.332 1.00 15.43 H new ATOM 0 HD3 ARG A 22 1.434 -5.891 18.269 1.00 15.43 H new ATOM 0 HE ARG A 22 -0.938 -5.507 16.605 1.00 3.24 H new ATOM 0 HH11 ARG A 22 2.554 -5.051 16.855 1.00 61.14 H new ATOM 0 HH12 ARG A 22 2.575 -3.696 15.722 1.00 61.14 H new ATOM 0 HH21 ARG A 22 -0.903 -3.764 15.150 1.00 32.33 H new ATOM 0 HH22 ARG A 22 0.626 -2.970 14.761 1.00 32.33 H new ATOM 335 N TYR A 23 3.549 -9.947 17.134 1.00 12.33 N ATOM 336 CA TYR A 23 4.884 -10.014 16.553 1.00 42.22 C ATOM 337 C TYR A 23 5.067 -11.301 15.754 1.00 15.21 C ATOM 338 O TYR A 23 5.812 -11.337 14.775 1.00 1.41 O ATOM 339 CB TYR A 23 5.946 -9.927 17.650 1.00 1.23 C ATOM 340 CG TYR A 23 6.066 -11.187 18.478 1.00 44.52 C ATOM 341 CD1 TYR A 23 6.897 -12.226 18.079 1.00 64.21 C ATOM 342 CD2 TYR A 23 5.349 -11.338 19.658 1.00 55.34 C ATOM 343 CE1 TYR A 23 7.010 -13.379 18.831 1.00 21.52 C ATOM 344 CE2 TYR A 23 5.456 -12.487 20.417 1.00 41.40 C ATOM 345 CZ TYR A 23 6.288 -13.505 20.000 1.00 51.44 C ATOM 346 OH TYR A 23 6.397 -14.651 20.753 1.00 73.35 O ATOM 0 H TYR A 23 3.532 -9.703 18.124 1.00 12.33 H new ATOM 0 HA TYR A 23 5.000 -9.168 15.876 1.00 42.22 H new ATOM 0 HB2 TYR A 23 6.911 -9.709 17.193 1.00 1.23 H new ATOM 0 HB3 TYR A 23 5.709 -9.091 18.308 1.00 1.23 H new ATOM 0 HD1 TYR A 23 7.465 -12.131 17.165 1.00 64.21 H new ATOM 0 HD2 TYR A 23 4.696 -10.543 19.988 1.00 55.34 H new ATOM 0 HE1 TYR A 23 7.660 -14.178 18.506 1.00 21.52 H new ATOM 0 HE2 TYR A 23 4.891 -12.588 21.332 1.00 41.40 H new ATOM 0 HH TYR A 23 5.824 -14.578 21.545 1.00 73.35 H new ATOM 356 N ARG A 24 4.379 -12.356 16.179 1.00 2.24 N ATOM 357 CA ARG A 24 4.465 -13.646 15.505 1.00 13.34 C ATOM 358 C ARG A 24 3.783 -13.593 14.141 1.00 12.43 C ATOM 359 O ARG A 24 4.321 -14.081 13.149 1.00 64.03 O ATOM 360 CB ARG A 24 3.825 -14.738 16.365 1.00 41.40 C ATOM 361 CG ARG A 24 2.390 -14.437 16.763 1.00 15.42 C ATOM 362 CD ARG A 24 1.399 -15.183 15.883 1.00 41.21 C ATOM 363 NE ARG A 24 0.066 -14.589 15.934 1.00 50.44 N ATOM 364 CZ ARG A 24 -1.037 -15.224 15.554 1.00 61.30 C ATOM 365 NH1 ARG A 24 -0.966 -16.467 15.099 1.00 60.54 N ATOM 366 NH2 ARG A 24 -2.214 -14.616 15.630 1.00 61.51 N ATOM 0 H ARG A 24 3.756 -12.343 16.987 1.00 2.24 H new ATOM 0 HA ARG A 24 5.519 -13.881 15.356 1.00 13.34 H new ATOM 0 HB2 ARG A 24 3.851 -15.681 15.819 1.00 41.40 H new ATOM 0 HB3 ARG A 24 4.422 -14.875 17.267 1.00 41.40 H new ATOM 0 HG2 ARG A 24 2.234 -14.716 17.805 1.00 15.42 H new ATOM 0 HG3 ARG A 24 2.208 -13.365 16.689 1.00 15.42 H new ATOM 0 HD2 ARG A 24 1.757 -15.183 14.853 1.00 41.21 H new ATOM 0 HD3 ARG A 24 1.344 -16.224 16.201 1.00 41.21 H new ATOM 0 HE ARG A 24 -0.023 -13.634 16.281 1.00 50.44 H new ATOM 0 HH11 ARG A 24 -0.063 -16.938 15.040 1.00 60.54 H new ATOM 0 HH12 ARG A 24 -1.814 -16.953 14.808 1.00 60.54 H new ATOM 0 HH21 ARG A 24 -2.272 -13.660 15.981 1.00 61.51 H new ATOM 0 HH22 ARG A 24 -3.060 -15.105 15.338 1.00 61.51 H new ATOM 380 N GLU A 25 2.595 -12.997 14.102 1.00 41.31 N ATOM 381 CA GLU A 25 1.840 -12.882 12.860 1.00 52.41 C ATOM 382 C GLU A 25 2.421 -11.787 11.969 1.00 31.22 C ATOM 383 O GLU A 25 2.209 -11.781 10.757 1.00 21.10 O ATOM 384 CB GLU A 25 0.369 -12.585 13.157 1.00 15.23 C ATOM 385 CG GLU A 25 0.138 -11.222 13.789 1.00 22.33 C ATOM 386 CD GLU A 25 -1.297 -10.752 13.654 1.00 10.23 C ATOM 387 OE1 GLU A 25 -1.832 -10.793 12.527 1.00 41.11 O ATOM 388 OE2 GLU A 25 -1.885 -10.342 14.677 1.00 31.53 O ATOM 0 H GLU A 25 2.136 -12.587 14.915 1.00 41.31 H new ATOM 0 HA GLU A 25 1.912 -13.833 12.332 1.00 52.41 H new ATOM 0 HB2 GLU A 25 -0.200 -12.647 12.229 1.00 15.23 H new ATOM 0 HB3 GLU A 25 -0.021 -13.355 13.822 1.00 15.23 H new ATOM 0 HG2 GLU A 25 0.404 -11.266 14.845 1.00 22.33 H new ATOM 0 HG3 GLU A 25 0.801 -10.493 13.323 1.00 22.33 H new ATOM 395 N ALA A 26 3.154 -10.862 12.580 1.00 30.33 N ATOM 396 CA ALA A 26 3.767 -9.764 11.844 1.00 51.22 C ATOM 397 C ALA A 26 4.880 -10.268 10.932 1.00 4.11 C ATOM 398 O ALA A 26 5.073 -9.756 9.829 1.00 40.25 O ATOM 399 CB ALA A 26 4.305 -8.717 12.808 1.00 32.12 C ATOM 0 H ALA A 26 3.338 -10.852 13.583 1.00 30.33 H new ATOM 0 HA ALA A 26 3.000 -9.306 11.219 1.00 51.22 H new ATOM 0 HB1 ALA A 26 4.760 -7.903 12.244 1.00 32.12 H new ATOM 0 HB2 ALA A 26 3.488 -8.326 13.414 1.00 32.12 H new ATOM 0 HB3 ALA A 26 5.053 -9.171 13.458 1.00 32.12 H new ATOM 405 N LEU A 27 5.612 -11.273 11.400 1.00 73.52 N ATOM 406 CA LEU A 27 6.708 -11.847 10.626 1.00 13.03 C ATOM 407 C LEU A 27 6.180 -12.598 9.408 1.00 32.34 C ATOM 408 O LEU A 27 6.856 -12.695 8.384 1.00 74.22 O ATOM 409 CB LEU A 27 7.537 -12.789 11.501 1.00 40.11 C ATOM 410 CG LEU A 27 8.409 -12.123 12.565 1.00 3.54 C ATOM 411 CD1 LEU A 27 9.058 -13.170 13.456 1.00 20.35 C ATOM 412 CD2 LEU A 27 9.468 -11.244 11.914 1.00 32.23 C ATOM 0 H LEU A 27 5.467 -11.707 12.311 1.00 73.52 H new ATOM 0 HA LEU A 27 7.342 -11.031 10.279 1.00 13.03 H new ATOM 0 HB2 LEU A 27 6.858 -13.482 11.998 1.00 40.11 H new ATOM 0 HB3 LEU A 27 8.181 -13.383 10.852 1.00 40.11 H new ATOM 0 HG LEU A 27 7.772 -11.492 13.185 1.00 3.54 H new ATOM 0 HD11 LEU A 27 9.675 -12.677 14.207 1.00 20.35 H new ATOM 0 HD12 LEU A 27 8.284 -13.757 13.950 1.00 20.35 H new ATOM 0 HD13 LEU A 27 9.681 -13.828 12.850 1.00 20.35 H new ATOM 0 HD21 LEU A 27 10.079 -10.778 12.687 1.00 32.23 H new ATOM 0 HD22 LEU A 27 10.101 -11.854 11.269 1.00 32.23 H new ATOM 0 HD23 LEU A 27 8.983 -10.470 11.319 1.00 32.23 H new ATOM 424 N LYS A 28 4.967 -13.127 9.526 1.00 34.31 N ATOM 425 CA LYS A 28 4.345 -13.867 8.434 1.00 32.34 C ATOM 426 C LYS A 28 4.375 -13.058 7.142 1.00 64.02 C ATOM 427 O LYS A 28 4.466 -13.618 6.049 1.00 62.21 O ATOM 428 CB LYS A 28 2.900 -14.225 8.791 1.00 41.41 C ATOM 429 CG LYS A 28 2.605 -15.712 8.714 1.00 72.51 C ATOM 430 CD LYS A 28 1.303 -15.985 7.980 1.00 73.33 C ATOM 431 CE LYS A 28 1.200 -17.440 7.548 1.00 65.11 C ATOM 432 NZ LYS A 28 0.393 -18.247 8.504 1.00 23.23 N ATOM 0 H LYS A 28 4.395 -13.057 10.367 1.00 34.31 H new ATOM 0 HA LYS A 28 4.913 -14.785 8.280 1.00 32.34 H new ATOM 0 HB2 LYS A 28 2.686 -13.873 9.800 1.00 41.41 H new ATOM 0 HB3 LYS A 28 2.226 -13.694 8.118 1.00 41.41 H new ATOM 0 HG2 LYS A 28 3.424 -16.220 8.205 1.00 72.51 H new ATOM 0 HG3 LYS A 28 2.550 -16.125 9.721 1.00 72.51 H new ATOM 0 HD2 LYS A 28 0.461 -15.736 8.626 1.00 73.33 H new ATOM 0 HD3 LYS A 28 1.235 -15.339 7.105 1.00 73.33 H new ATOM 0 HE2 LYS A 28 0.749 -17.493 6.557 1.00 65.11 H new ATOM 0 HE3 LYS A 28 2.200 -17.866 7.467 1.00 65.11 H new ATOM 0 HZ1 LYS A 28 0.347 -19.232 8.174 1.00 23.23 H new ATOM 0 HZ2 LYS A 28 0.837 -18.217 9.444 1.00 23.23 H new ATOM 0 HZ3 LYS A 28 -0.569 -17.856 8.563 1.00 23.23 H new ATOM 446 N HIS A 29 4.300 -11.737 7.274 1.00 64.43 N ATOM 447 CA HIS A 29 4.322 -10.851 6.116 1.00 53.04 C ATOM 448 C HIS A 29 5.703 -10.836 5.468 1.00 2.23 C ATOM 449 O HIS A 29 5.826 -10.773 4.245 1.00 42.21 O ATOM 450 CB HIS A 29 3.922 -9.433 6.525 1.00 72.13 C ATOM 451 CG HIS A 29 2.444 -9.191 6.479 1.00 5.24 C ATOM 452 ND1 HIS A 29 1.882 -8.076 5.894 1.00 62.34 N ATOM 453 CD2 HIS A 29 1.412 -9.928 6.950 1.00 74.20 C ATOM 454 CE1 HIS A 29 0.567 -8.138 6.007 1.00 5.24 C ATOM 455 NE2 HIS A 29 0.256 -9.252 6.644 1.00 20.23 N ATOM 0 H HIS A 29 4.224 -11.257 8.171 1.00 64.43 H new ATOM 0 HA HIS A 29 3.604 -11.228 5.388 1.00 53.04 H new ATOM 0 HB2 HIS A 29 4.282 -9.240 7.535 1.00 72.13 H new ATOM 0 HB3 HIS A 29 4.419 -8.720 5.867 1.00 72.13 H new ATOM 0 HD2 HIS A 29 1.484 -10.872 7.470 1.00 74.20 H new ATOM 0 HE1 HIS A 29 -0.134 -7.403 5.641 1.00 5.24 H new ATOM 0 HE2 HIS A 29 -0.689 -9.560 6.872 1.00 20.23 H new ATOM 463 N PHE A 30 6.740 -10.893 6.297 1.00 23.13 N ATOM 464 CA PHE A 30 8.113 -10.884 5.806 1.00 63.22 C ATOM 465 C PHE A 30 8.516 -12.264 5.293 1.00 43.42 C ATOM 466 O PHE A 30 9.290 -12.383 4.342 1.00 73.44 O ATOM 467 CB PHE A 30 9.071 -10.440 6.913 1.00 11.42 C ATOM 468 CG PHE A 30 8.601 -9.224 7.660 1.00 42.24 C ATOM 469 CD1 PHE A 30 8.100 -8.127 6.978 1.00 52.14 C ATOM 470 CD2 PHE A 30 8.661 -9.178 9.043 1.00 14.00 C ATOM 471 CE1 PHE A 30 7.668 -7.007 7.662 1.00 53.40 C ATOM 472 CE2 PHE A 30 8.230 -8.061 9.733 1.00 55.50 C ATOM 473 CZ PHE A 30 7.731 -6.974 9.041 1.00 4.24 C ATOM 0 H PHE A 30 6.656 -10.946 7.312 1.00 23.13 H new ATOM 0 HA PHE A 30 8.172 -10.176 4.979 1.00 63.22 H new ATOM 0 HB2 PHE A 30 9.204 -11.261 7.618 1.00 11.42 H new ATOM 0 HB3 PHE A 30 10.048 -10.233 6.476 1.00 11.42 H new ATOM 0 HD1 PHE A 30 8.047 -8.148 5.900 1.00 52.14 H new ATOM 0 HD2 PHE A 30 9.049 -10.025 9.589 1.00 14.00 H new ATOM 0 HE1 PHE A 30 7.281 -6.158 7.118 1.00 53.40 H new ATOM 0 HE2 PHE A 30 8.283 -8.038 10.811 1.00 55.50 H new ATOM 0 HZ PHE A 30 7.391 -6.101 9.578 1.00 4.24 H new ATOM 483 N LEU A 31 7.987 -13.303 5.930 1.00 44.45 N ATOM 484 CA LEU A 31 8.291 -14.675 5.539 1.00 4.11 C ATOM 485 C LEU A 31 7.952 -14.911 4.071 1.00 63.12 C ATOM 486 O LEU A 31 8.628 -15.676 3.383 1.00 43.15 O ATOM 487 CB LEU A 31 7.518 -15.659 6.418 1.00 73.32 C ATOM 488 CG LEU A 31 8.288 -16.256 7.597 1.00 40.55 C ATOM 489 CD1 LEU A 31 9.344 -17.233 7.104 1.00 31.25 C ATOM 490 CD2 LEU A 31 8.926 -15.153 8.429 1.00 21.00 C ATOM 0 H LEU A 31 7.346 -13.221 6.719 1.00 44.45 H new ATOM 0 HA LEU A 31 9.360 -14.838 5.676 1.00 4.11 H new ATOM 0 HB2 LEU A 31 6.635 -15.152 6.807 1.00 73.32 H new ATOM 0 HB3 LEU A 31 7.165 -16.477 5.789 1.00 73.32 H new ATOM 0 HG LEU A 31 7.586 -16.800 8.228 1.00 40.55 H new ATOM 0 HD11 LEU A 31 9.882 -17.648 7.956 1.00 31.25 H new ATOM 0 HD12 LEU A 31 8.863 -18.040 6.551 1.00 31.25 H new ATOM 0 HD13 LEU A 31 10.045 -16.713 6.451 1.00 31.25 H new ATOM 0 HD21 LEU A 31 9.470 -15.595 9.264 1.00 21.00 H new ATOM 0 HD22 LEU A 31 9.616 -14.582 7.808 1.00 21.00 H new ATOM 0 HD23 LEU A 31 8.150 -14.491 8.812 1.00 21.00 H new ATOM 502 N ASP A 32 6.903 -14.248 3.597 1.00 31.35 N ATOM 503 CA ASP A 32 6.476 -14.383 2.210 1.00 73.33 C ATOM 504 C ASP A 32 7.463 -13.701 1.268 1.00 1.43 C ATOM 505 O ASP A 32 7.486 -13.977 0.070 1.00 53.44 O ATOM 506 CB ASP A 32 5.079 -13.788 2.023 1.00 3.23 C ATOM 507 CG ASP A 32 4.460 -14.168 0.693 1.00 64.53 C ATOM 508 OD1 ASP A 32 4.122 -15.357 0.514 1.00 73.41 O ATOM 509 OD2 ASP A 32 4.314 -13.277 -0.170 1.00 31.45 O ATOM 0 H ASP A 32 6.333 -13.611 4.154 1.00 31.35 H new ATOM 0 HA ASP A 32 6.445 -15.445 1.968 1.00 73.33 H new ATOM 0 HB2 ASP A 32 4.432 -14.128 2.832 1.00 3.23 H new ATOM 0 HB3 ASP A 32 5.137 -12.702 2.096 1.00 3.23 H new ATOM 514 N GLY A 33 8.278 -12.807 1.820 1.00 10.52 N ATOM 515 CA GLY A 33 9.255 -12.097 1.015 1.00 24.34 C ATOM 516 C GLY A 33 10.303 -13.022 0.428 1.00 40.24 C ATOM 517 O GLY A 33 10.748 -12.828 -0.703 1.00 31.21 O ATOM 0 H GLY A 33 8.279 -12.562 2.810 1.00 10.52 H new ATOM 0 HA2 GLY A 33 8.744 -11.573 0.208 1.00 24.34 H new ATOM 0 HA3 GLY A 33 9.745 -11.340 1.627 1.00 24.34 H new ATOM 521 N GLY A 34 10.700 -14.030 1.198 1.00 31.12 N ATOM 522 CA GLY A 34 11.700 -14.972 0.731 1.00 43.22 C ATOM 523 C GLY A 34 11.114 -16.043 -0.167 1.00 54.22 C ATOM 524 O GLY A 34 11.786 -16.542 -1.068 1.00 63.25 O ATOM 0 H GLY A 34 10.347 -14.211 2.138 1.00 31.12 H new ATOM 0 HA2 GLY A 34 12.477 -14.433 0.189 1.00 43.22 H new ATOM 0 HA3 GLY A 34 12.179 -15.444 1.589 1.00 43.22 H new ATOM 528 N GLU A 35 9.856 -16.397 0.080 1.00 25.23 N ATOM 529 CA GLU A 35 9.181 -17.418 -0.712 1.00 63.22 C ATOM 530 C GLU A 35 8.691 -16.842 -2.038 1.00 25.32 C ATOM 531 O GLU A 35 8.390 -17.582 -2.974 1.00 50.11 O ATOM 532 CB GLU A 35 8.003 -18.005 0.068 1.00 11.51 C ATOM 533 CG GLU A 35 8.395 -18.591 1.414 1.00 44.51 C ATOM 534 CD GLU A 35 8.856 -20.032 1.311 1.00 52.42 C ATOM 535 OE1 GLU A 35 10.066 -20.253 1.097 1.00 22.11 O ATOM 536 OE2 GLU A 35 8.007 -20.937 1.443 1.00 34.35 O ATOM 0 H GLU A 35 9.285 -15.992 0.822 1.00 25.23 H new ATOM 0 HA GLU A 35 9.899 -18.211 -0.923 1.00 63.22 H new ATOM 0 HB2 GLU A 35 7.257 -17.226 0.224 1.00 11.51 H new ATOM 0 HB3 GLU A 35 7.531 -18.782 -0.533 1.00 11.51 H new ATOM 0 HG2 GLU A 35 9.192 -17.989 1.850 1.00 44.51 H new ATOM 0 HG3 GLU A 35 7.544 -18.533 2.093 1.00 44.51 H new ATOM 543 N MET A 36 8.615 -15.517 -2.108 1.00 73.43 N ATOM 544 CA MET A 36 8.162 -14.842 -3.319 1.00 2.11 C ATOM 545 C MET A 36 9.262 -14.826 -4.376 1.00 10.42 C ATOM 546 O MET A 36 8.988 -14.931 -5.572 1.00 13.24 O ATOM 547 CB MET A 36 7.726 -13.411 -2.998 1.00 23.04 C ATOM 548 CG MET A 36 6.232 -13.270 -2.760 1.00 14.10 C ATOM 549 SD MET A 36 5.368 -12.554 -4.172 1.00 24.20 S ATOM 550 CE MET A 36 3.662 -12.828 -3.700 1.00 64.33 C ATOM 0 H MET A 36 8.861 -14.890 -1.342 1.00 73.43 H new ATOM 0 HA MET A 36 7.309 -15.393 -3.715 1.00 2.11 H new ATOM 0 HB2 MET A 36 8.261 -13.067 -2.113 1.00 23.04 H new ATOM 0 HB3 MET A 36 8.018 -12.758 -3.820 1.00 23.04 H new ATOM 0 HG2 MET A 36 5.809 -14.250 -2.539 1.00 14.10 H new ATOM 0 HG3 MET A 36 6.065 -12.646 -1.882 1.00 14.10 H new ATOM 0 HE1 MET A 36 3.003 -12.438 -4.476 1.00 64.33 H new ATOM 0 HE2 MET A 36 3.486 -13.897 -3.577 1.00 64.33 H new ATOM 0 HE3 MET A 36 3.458 -12.316 -2.759 1.00 64.33 H new ATOM 560 N ILE A 37 10.506 -14.693 -3.927 1.00 74.01 N ATOM 561 CA ILE A 37 11.646 -14.664 -4.835 1.00 13.11 C ATOM 562 C ILE A 37 12.032 -16.071 -5.278 1.00 32.12 C ATOM 563 O ILE A 37 12.600 -16.261 -6.353 1.00 62.21 O ATOM 564 CB ILE A 37 12.867 -13.990 -4.183 1.00 3.30 C ATOM 565 CG1 ILE A 37 13.996 -13.833 -5.204 1.00 21.20 C ATOM 566 CG2 ILE A 37 13.340 -14.796 -2.983 1.00 34.34 C ATOM 567 CD1 ILE A 37 13.614 -12.994 -6.403 1.00 61.01 C ATOM 0 H ILE A 37 10.750 -14.604 -2.941 1.00 74.01 H new ATOM 0 HA ILE A 37 11.342 -14.083 -5.705 1.00 13.11 H new ATOM 0 HB ILE A 37 12.574 -12.999 -3.837 1.00 3.30 H new ATOM 0 HG12 ILE A 37 14.858 -13.380 -4.714 1.00 21.20 H new ATOM 0 HG13 ILE A 37 14.306 -14.821 -5.546 1.00 21.20 H new ATOM 0 HG21 ILE A 37 14.204 -14.306 -2.533 1.00 34.34 H new ATOM 0 HG22 ILE A 37 12.537 -14.861 -2.249 1.00 34.34 H new ATOM 0 HG23 ILE A 37 13.619 -15.799 -3.306 1.00 34.34 H new ATOM 0 HD11 ILE A 37 14.462 -12.926 -7.084 1.00 61.01 H new ATOM 0 HD12 ILE A 37 12.772 -13.457 -6.917 1.00 61.01 H new ATOM 0 HD13 ILE A 37 13.332 -11.994 -6.073 1.00 61.01 H new ATOM 579 N VAL A 38 11.718 -17.056 -4.442 1.00 15.20 N ATOM 580 CA VAL A 38 12.029 -18.447 -4.748 1.00 54.01 C ATOM 581 C VAL A 38 11.392 -18.875 -6.065 1.00 61.45 C ATOM 582 O VAL A 38 12.038 -19.504 -6.905 1.00 53.32 O ATOM 583 CB VAL A 38 11.548 -19.389 -3.628 1.00 64.12 C ATOM 584 CG1 VAL A 38 11.734 -20.842 -4.037 1.00 33.52 C ATOM 585 CG2 VAL A 38 12.286 -19.093 -2.331 1.00 34.11 C ATOM 0 H VAL A 38 11.248 -16.916 -3.547 1.00 15.20 H new ATOM 0 HA VAL A 38 13.113 -18.518 -4.832 1.00 54.01 H new ATOM 0 HB VAL A 38 10.485 -19.216 -3.462 1.00 64.12 H new ATOM 0 HG11 VAL A 38 11.389 -21.493 -3.234 1.00 33.52 H new ATOM 0 HG12 VAL A 38 11.157 -21.043 -4.940 1.00 33.52 H new ATOM 0 HG13 VAL A 38 12.789 -21.033 -4.231 1.00 33.52 H new ATOM 0 HG21 VAL A 38 11.934 -19.767 -1.550 1.00 34.11 H new ATOM 0 HG22 VAL A 38 13.356 -19.237 -2.480 1.00 34.11 H new ATOM 0 HG23 VAL A 38 12.097 -18.062 -2.032 1.00 34.11 H new ATOM 595 N THR A 39 10.120 -18.531 -6.241 1.00 41.05 N ATOM 596 CA THR A 39 9.395 -18.880 -7.456 1.00 72.14 C ATOM 597 C THR A 39 10.173 -18.465 -8.700 1.00 20.02 C ATOM 598 O THR A 39 10.080 -19.108 -9.745 1.00 51.20 O ATOM 599 CB THR A 39 8.004 -18.218 -7.490 1.00 62.44 C ATOM 600 OG1 THR A 39 7.224 -18.773 -8.555 1.00 53.32 O ATOM 601 CG2 THR A 39 8.126 -16.713 -7.674 1.00 74.22 C ATOM 0 H THR A 39 9.571 -18.011 -5.557 1.00 41.05 H new ATOM 0 HA THR A 39 9.274 -19.963 -7.451 1.00 72.14 H new ATOM 0 HB THR A 39 7.509 -18.412 -6.538 1.00 62.44 H new ATOM 0 HG1 THR A 39 6.341 -18.348 -8.569 1.00 53.32 H new ATOM 0 HG21 THR A 39 7.132 -16.267 -7.695 1.00 74.22 H new ATOM 0 HG22 THR A 39 8.696 -16.290 -6.846 1.00 74.22 H new ATOM 0 HG23 THR A 39 8.638 -16.502 -8.613 1.00 74.22 H new ATOM 609 N ALA A 40 10.941 -17.387 -8.579 1.00 60.21 N ATOM 610 CA ALA A 40 11.738 -16.888 -9.693 1.00 72.30 C ATOM 611 C ALA A 40 12.968 -17.760 -9.922 1.00 74.43 C ATOM 612 O ALA A 40 13.362 -18.007 -11.062 1.00 15.13 O ATOM 613 CB ALA A 40 12.151 -15.446 -9.442 1.00 52.40 C ATOM 0 H ALA A 40 11.028 -16.843 -7.721 1.00 60.21 H new ATOM 0 HA ALA A 40 11.124 -16.927 -10.593 1.00 72.30 H new ATOM 0 HB1 ALA A 40 12.746 -15.086 -10.282 1.00 52.40 H new ATOM 0 HB2 ALA A 40 11.261 -14.826 -9.336 1.00 52.40 H new ATOM 0 HB3 ALA A 40 12.743 -15.391 -8.528 1.00 52.40 H new ATOM 619 N ALA A 41 13.570 -18.224 -8.832 1.00 42.22 N ATOM 620 CA ALA A 41 14.755 -19.069 -8.915 1.00 75.41 C ATOM 621 C ALA A 41 14.389 -20.484 -9.351 1.00 64.34 C ATOM 622 O ALA A 41 14.916 -20.994 -10.340 1.00 3.42 O ATOM 623 CB ALA A 41 15.478 -19.098 -7.577 1.00 14.23 C ATOM 0 H ALA A 41 13.257 -18.029 -7.881 1.00 42.22 H new ATOM 0 HA ALA A 41 15.422 -18.645 -9.666 1.00 75.41 H new ATOM 0 HB1 ALA A 41 16.361 -19.733 -7.654 1.00 14.23 H new ATOM 0 HB2 ALA A 41 15.781 -18.087 -7.305 1.00 14.23 H new ATOM 0 HB3 ALA A 41 14.811 -19.495 -6.812 1.00 14.23 H new ATOM 629 N GLU A 42 13.485 -21.113 -8.607 1.00 62.41 N ATOM 630 CA GLU A 42 13.052 -22.471 -8.918 1.00 12.43 C ATOM 631 C GLU A 42 12.613 -22.582 -10.375 1.00 44.31 C ATOM 632 O GLU A 42 12.988 -23.520 -11.079 1.00 2.04 O ATOM 633 CB GLU A 42 11.904 -22.887 -7.995 1.00 41.13 C ATOM 634 CG GLU A 42 12.327 -23.086 -6.550 1.00 31.44 C ATOM 635 CD GLU A 42 12.487 -24.550 -6.185 1.00 51.41 C ATOM 636 OE1 GLU A 42 12.854 -25.346 -7.074 1.00 34.31 O ATOM 637 OE2 GLU A 42 12.245 -24.897 -5.010 1.00 63.52 O ATOM 0 H GLU A 42 13.038 -20.705 -7.786 1.00 62.41 H new ATOM 0 HA GLU A 42 13.898 -23.140 -8.760 1.00 12.43 H new ATOM 0 HB2 GLU A 42 11.123 -22.127 -8.035 1.00 41.13 H new ATOM 0 HB3 GLU A 42 11.467 -23.813 -8.368 1.00 41.13 H new ATOM 0 HG2 GLU A 42 13.270 -22.567 -6.377 1.00 31.44 H new ATOM 0 HG3 GLU A 42 11.587 -22.630 -5.893 1.00 31.44 H new ATOM 644 N LYS A 43 11.816 -21.617 -10.822 1.00 63.21 N ATOM 645 CA LYS A 43 11.326 -21.604 -12.195 1.00 71.12 C ATOM 646 C LYS A 43 12.462 -21.331 -13.176 1.00 31.30 C ATOM 647 O LYS A 43 12.382 -21.697 -14.348 1.00 64.11 O ATOM 648 CB LYS A 43 10.232 -20.546 -12.358 1.00 4.01 C ATOM 649 CG LYS A 43 9.515 -20.613 -13.695 1.00 32.51 C ATOM 650 CD LYS A 43 8.185 -19.880 -13.651 1.00 74.34 C ATOM 651 CE LYS A 43 7.773 -19.391 -15.031 1.00 54.24 C ATOM 652 NZ LYS A 43 6.704 -18.357 -14.957 1.00 15.12 N ATOM 0 H LYS A 43 11.496 -20.834 -10.253 1.00 63.21 H new ATOM 0 HA LYS A 43 10.908 -22.587 -12.414 1.00 71.12 H new ATOM 0 HB2 LYS A 43 9.502 -20.664 -11.557 1.00 4.01 H new ATOM 0 HB3 LYS A 43 10.675 -19.557 -12.242 1.00 4.01 H new ATOM 0 HG2 LYS A 43 10.146 -20.178 -14.470 1.00 32.51 H new ATOM 0 HG3 LYS A 43 9.348 -21.655 -13.968 1.00 32.51 H new ATOM 0 HD2 LYS A 43 7.416 -20.543 -13.254 1.00 74.34 H new ATOM 0 HD3 LYS A 43 8.258 -19.032 -12.970 1.00 74.34 H new ATOM 0 HE2 LYS A 43 8.642 -18.979 -15.545 1.00 54.24 H new ATOM 0 HE3 LYS A 43 7.422 -20.235 -15.625 1.00 54.24 H new ATOM 0 HZ1 LYS A 43 6.451 -18.050 -15.918 1.00 15.12 H new ATOM 0 HZ2 LYS A 43 5.866 -18.757 -14.490 1.00 15.12 H new ATOM 0 HZ3 LYS A 43 7.048 -17.541 -14.412 1.00 15.12 H new ATOM 666 N GLU A 44 13.518 -20.688 -12.688 1.00 31.14 N ATOM 667 CA GLU A 44 14.670 -20.368 -13.522 1.00 53.14 C ATOM 668 C GLU A 44 15.750 -21.437 -13.392 1.00 24.22 C ATOM 669 O GLU A 44 15.577 -22.426 -12.680 1.00 4.23 O ATOM 670 CB GLU A 44 15.241 -19.001 -13.140 1.00 14.22 C ATOM 671 CG GLU A 44 14.472 -17.832 -13.734 1.00 64.32 C ATOM 672 CD GLU A 44 14.417 -17.880 -15.249 1.00 24.32 C ATOM 673 OE1 GLU A 44 15.453 -18.197 -15.871 1.00 35.31 O ATOM 674 OE2 GLU A 44 13.338 -17.601 -15.812 1.00 0.13 O ATOM 0 H GLU A 44 13.599 -20.379 -11.719 1.00 31.14 H new ATOM 0 HA GLU A 44 14.337 -20.337 -14.559 1.00 53.14 H new ATOM 0 HB2 GLU A 44 15.244 -18.909 -12.054 1.00 14.22 H new ATOM 0 HB3 GLU A 44 16.279 -18.946 -13.467 1.00 14.22 H new ATOM 0 HG2 GLU A 44 13.457 -17.830 -13.337 1.00 64.32 H new ATOM 0 HG3 GLU A 44 14.938 -16.898 -13.420 1.00 64.32 H new ATOM 681 N ALA A 45 16.865 -21.231 -14.085 1.00 63.24 N ATOM 682 CA ALA A 45 17.975 -22.176 -14.046 1.00 53.24 C ATOM 683 C ALA A 45 19.260 -21.534 -14.558 1.00 70.45 C ATOM 684 O ALA A 45 20.287 -21.554 -13.881 1.00 25.11 O ATOM 685 CB ALA A 45 17.641 -23.416 -14.861 1.00 74.44 C ATOM 0 H ALA A 45 17.024 -20.418 -14.680 1.00 63.24 H new ATOM 0 HA ALA A 45 18.135 -22.469 -13.008 1.00 53.24 H new ATOM 0 HB1 ALA A 45 18.478 -24.113 -14.823 1.00 74.44 H new ATOM 0 HB2 ALA A 45 16.752 -23.894 -14.449 1.00 74.44 H new ATOM 0 HB3 ALA A 45 17.453 -23.131 -15.896 1.00 74.44 H new ATOM 691 N SER A 46 19.195 -20.967 -15.759 1.00 23.03 N ATOM 692 CA SER A 46 20.356 -20.324 -16.364 1.00 13.44 C ATOM 693 C SER A 46 20.494 -18.884 -15.877 1.00 72.21 C ATOM 694 O SER A 46 20.555 -17.951 -16.677 1.00 62.33 O ATOM 695 CB SER A 46 20.242 -20.350 -17.889 1.00 43.31 C ATOM 696 OG SER A 46 20.238 -21.680 -18.377 1.00 52.15 O ATOM 0 H SER A 46 18.351 -20.940 -16.332 1.00 23.03 H new ATOM 0 HA SER A 46 21.246 -20.878 -16.064 1.00 13.44 H new ATOM 0 HB2 SER A 46 19.327 -19.843 -18.197 1.00 43.31 H new ATOM 0 HB3 SER A 46 21.074 -19.800 -18.329 1.00 43.31 H new ATOM 0 HG SER A 46 20.163 -21.670 -19.354 1.00 52.15 H new ATOM 702 N GLN A 47 20.542 -18.714 -14.560 1.00 12.51 N ATOM 703 CA GLN A 47 20.672 -17.388 -13.966 1.00 71.11 C ATOM 704 C GLN A 47 21.749 -17.379 -12.886 1.00 15.21 C ATOM 705 O GLN A 47 21.778 -18.250 -12.016 1.00 42.31 O ATOM 706 CB GLN A 47 19.335 -16.938 -13.374 1.00 41.14 C ATOM 707 CG GLN A 47 19.129 -15.432 -13.412 1.00 63.24 C ATOM 708 CD GLN A 47 18.347 -14.981 -14.630 1.00 43.40 C ATOM 709 OE1 GLN A 47 18.543 -15.493 -15.733 1.00 15.14 O ATOM 710 NE2 GLN A 47 17.455 -14.016 -14.437 1.00 21.22 N ATOM 0 H GLN A 47 20.493 -19.476 -13.884 1.00 12.51 H new ATOM 0 HA GLN A 47 20.966 -16.692 -14.752 1.00 71.11 H new ATOM 0 HB2 GLN A 47 18.524 -17.421 -13.920 1.00 41.14 H new ATOM 0 HB3 GLN A 47 19.271 -17.279 -12.341 1.00 41.14 H new ATOM 0 HG2 GLN A 47 18.603 -15.118 -12.510 1.00 63.24 H new ATOM 0 HG3 GLN A 47 20.100 -14.936 -13.404 1.00 63.24 H new ATOM 0 HE21 GLN A 47 17.325 -13.620 -13.506 1.00 21.22 H new ATOM 0 HE22 GLN A 47 16.900 -13.671 -15.220 1.00 21.22 H new ATOM 719 N LYS A 48 22.633 -16.389 -12.947 1.00 55.23 N ATOM 720 CA LYS A 48 23.711 -16.264 -11.974 1.00 64.34 C ATOM 721 C LYS A 48 23.199 -15.668 -10.667 1.00 42.02 C ATOM 722 O LYS A 48 23.728 -15.955 -9.593 1.00 41.41 O ATOM 723 CB LYS A 48 24.836 -15.394 -12.538 1.00 44.53 C ATOM 724 CG LYS A 48 25.309 -15.827 -13.915 1.00 23.10 C ATOM 725 CD LYS A 48 26.806 -16.092 -13.933 1.00 55.40 C ATOM 726 CE LYS A 48 27.121 -17.532 -13.561 1.00 24.04 C ATOM 727 NZ LYS A 48 28.476 -17.940 -14.024 1.00 63.54 N ATOM 0 H LYS A 48 22.624 -15.661 -13.661 1.00 55.23 H new ATOM 0 HA LYS A 48 24.099 -17.262 -11.769 1.00 64.34 H new ATOM 0 HB2 LYS A 48 24.493 -14.360 -12.589 1.00 44.53 H new ATOM 0 HB3 LYS A 48 25.681 -15.416 -11.850 1.00 44.53 H new ATOM 0 HG2 LYS A 48 24.775 -16.728 -14.217 1.00 23.10 H new ATOM 0 HG3 LYS A 48 25.067 -15.054 -14.644 1.00 23.10 H new ATOM 0 HD2 LYS A 48 27.203 -15.876 -14.925 1.00 55.40 H new ATOM 0 HD3 LYS A 48 27.304 -15.418 -13.237 1.00 55.40 H new ATOM 0 HE2 LYS A 48 27.056 -17.650 -12.479 1.00 24.04 H new ATOM 0 HE3 LYS A 48 26.373 -18.192 -14.000 1.00 24.04 H new ATOM 0 HZ1 LYS A 48 28.653 -18.928 -13.751 1.00 63.54 H new ATOM 0 HZ2 LYS A 48 28.531 -17.851 -15.059 1.00 63.54 H new ATOM 0 HZ3 LYS A 48 29.192 -17.326 -13.586 1.00 63.54 H new ATOM 741 N VAL A 49 22.166 -14.838 -10.766 1.00 14.15 N ATOM 742 CA VAL A 49 21.580 -14.203 -9.591 1.00 22.34 C ATOM 743 C VAL A 49 20.694 -15.178 -8.824 1.00 34.11 C ATOM 744 O VAL A 49 20.582 -15.101 -7.600 1.00 41.13 O ATOM 745 CB VAL A 49 20.749 -12.965 -9.977 1.00 21.42 C ATOM 746 CG1 VAL A 49 21.654 -11.849 -10.477 1.00 33.41 C ATOM 747 CG2 VAL A 49 19.708 -13.329 -11.025 1.00 0.13 C ATOM 0 H VAL A 49 21.717 -14.589 -11.648 1.00 14.15 H new ATOM 0 HA VAL A 49 22.408 -13.891 -8.954 1.00 22.34 H new ATOM 0 HB VAL A 49 20.228 -12.607 -9.089 1.00 21.42 H new ATOM 0 HG11 VAL A 49 21.049 -10.983 -10.745 1.00 33.41 H new ATOM 0 HG12 VAL A 49 22.357 -11.572 -9.692 1.00 33.41 H new ATOM 0 HG13 VAL A 49 22.205 -12.192 -11.353 1.00 33.41 H new ATOM 0 HG21 VAL A 49 19.130 -12.443 -11.286 1.00 0.13 H new ATOM 0 HG22 VAL A 49 20.207 -13.713 -11.915 1.00 0.13 H new ATOM 0 HG23 VAL A 49 19.041 -14.093 -10.625 1.00 0.13 H new ATOM 757 N ARG A 50 20.065 -16.095 -9.552 1.00 30.44 N ATOM 758 CA ARG A 50 19.187 -17.086 -8.940 1.00 1.20 C ATOM 759 C ARG A 50 19.812 -17.657 -7.671 1.00 5.45 C ATOM 760 O ARG A 50 19.151 -17.773 -6.640 1.00 25.24 O ATOM 761 CB ARG A 50 18.891 -18.216 -9.928 1.00 1.40 C ATOM 762 CG ARG A 50 18.171 -19.399 -9.302 1.00 52.23 C ATOM 763 CD ARG A 50 19.010 -20.665 -9.377 1.00 52.14 C ATOM 764 NE ARG A 50 19.748 -20.907 -8.141 1.00 13.35 N ATOM 765 CZ ARG A 50 20.292 -22.077 -7.826 1.00 43.14 C ATOM 766 NH1 ARG A 50 20.182 -23.106 -8.655 1.00 25.55 N ATOM 767 NH2 ARG A 50 20.949 -22.219 -6.682 1.00 52.31 N ATOM 0 H ARG A 50 20.147 -16.172 -10.566 1.00 30.44 H new ATOM 0 HA ARG A 50 18.253 -16.591 -8.673 1.00 1.20 H new ATOM 0 HB2 ARG A 50 18.285 -17.824 -10.745 1.00 1.40 H new ATOM 0 HB3 ARG A 50 19.829 -18.561 -10.364 1.00 1.40 H new ATOM 0 HG2 ARG A 50 17.940 -19.176 -8.261 1.00 52.23 H new ATOM 0 HG3 ARG A 50 17.221 -19.560 -9.812 1.00 52.23 H new ATOM 0 HD2 ARG A 50 18.363 -21.517 -9.585 1.00 52.14 H new ATOM 0 HD3 ARG A 50 19.711 -20.587 -10.208 1.00 52.14 H new ATOM 0 HE ARG A 50 19.852 -20.135 -7.483 1.00 13.35 H new ATOM 0 HH11 ARG A 50 19.679 -23.000 -9.536 1.00 25.55 H new ATOM 0 HH12 ARG A 50 20.600 -24.004 -8.412 1.00 25.55 H new ATOM 0 HH21 ARG A 50 21.037 -21.429 -6.043 1.00 52.31 H new ATOM 0 HH22 ARG A 50 21.366 -23.118 -6.442 1.00 52.31 H new ATOM 781 N ASN A 51 21.091 -18.011 -7.755 1.00 33.15 N ATOM 782 CA ASN A 51 21.805 -18.571 -6.613 1.00 2.20 C ATOM 783 C ASN A 51 21.660 -17.674 -5.387 1.00 74.12 C ATOM 784 O ASN A 51 21.335 -18.144 -4.296 1.00 3.24 O ATOM 785 CB ASN A 51 23.286 -18.754 -6.952 1.00 31.24 C ATOM 786 CG ASN A 51 24.092 -19.253 -5.768 1.00 3.40 C ATOM 787 OD1 ASN A 51 24.659 -18.463 -5.012 1.00 34.21 O ATOM 788 ND2 ASN A 51 24.148 -20.569 -5.602 1.00 71.14 N ATOM 0 H ASN A 51 21.653 -17.920 -8.601 1.00 33.15 H new ATOM 0 HA ASN A 51 21.368 -19.543 -6.384 1.00 2.20 H new ATOM 0 HB2 ASN A 51 23.383 -19.459 -7.777 1.00 31.24 H new ATOM 0 HB3 ASN A 51 23.698 -17.805 -7.294 1.00 31.24 H new ATOM 0 HD21 ASN A 51 24.676 -20.963 -4.823 1.00 71.14 H new ATOM 0 HD22 ASN A 51 23.663 -21.186 -6.253 1.00 71.14 H new ATOM 795 N LEU A 52 21.901 -16.381 -5.575 1.00 32.40 N ATOM 796 CA LEU A 52 21.796 -15.417 -4.485 1.00 61.40 C ATOM 797 C LEU A 52 20.336 -15.148 -4.135 1.00 22.13 C ATOM 798 O LEU A 52 20.008 -14.842 -2.988 1.00 1.54 O ATOM 799 CB LEU A 52 22.491 -14.109 -4.867 1.00 15.13 C ATOM 800 CG LEU A 52 22.854 -13.179 -3.708 1.00 62.43 C ATOM 801 CD1 LEU A 52 23.955 -13.793 -2.857 1.00 41.21 C ATOM 802 CD2 LEU A 52 23.280 -11.816 -4.232 1.00 50.43 C ATOM 0 H LEU A 52 22.170 -15.976 -6.472 1.00 32.40 H new ATOM 0 HA LEU A 52 22.288 -15.840 -3.609 1.00 61.40 H new ATOM 0 HB2 LEU A 52 23.403 -14.351 -5.412 1.00 15.13 H new ATOM 0 HB3 LEU A 52 21.844 -13.564 -5.555 1.00 15.13 H new ATOM 0 HG LEU A 52 21.971 -13.046 -3.083 1.00 62.43 H new ATOM 0 HD11 LEU A 52 24.201 -13.118 -2.037 1.00 41.21 H new ATOM 0 HD12 LEU A 52 23.614 -14.746 -2.452 1.00 41.21 H new ATOM 0 HD13 LEU A 52 24.841 -13.956 -3.471 1.00 41.21 H new ATOM 0 HD21 LEU A 52 23.535 -11.167 -3.394 1.00 50.43 H new ATOM 0 HD22 LEU A 52 24.149 -11.931 -4.879 1.00 50.43 H new ATOM 0 HD23 LEU A 52 22.462 -11.372 -4.799 1.00 50.43 H new ATOM 814 N LEU A 53 19.463 -15.266 -5.129 1.00 21.41 N ATOM 815 CA LEU A 53 18.037 -15.038 -4.926 1.00 33.03 C ATOM 816 C LEU A 53 17.479 -15.984 -3.867 1.00 60.33 C ATOM 817 O LEU A 53 16.694 -15.580 -3.009 1.00 53.50 O ATOM 818 CB LEU A 53 17.278 -15.222 -6.241 1.00 62.13 C ATOM 819 CG LEU A 53 17.036 -13.953 -7.060 1.00 33.35 C ATOM 820 CD1 LEU A 53 18.211 -12.998 -6.924 1.00 11.35 C ATOM 821 CD2 LEU A 53 16.794 -14.300 -8.521 1.00 52.45 C ATOM 0 H LEU A 53 19.718 -15.518 -6.084 1.00 21.41 H new ATOM 0 HA LEU A 53 17.905 -14.014 -4.578 1.00 33.03 H new ATOM 0 HB2 LEU A 53 17.830 -15.930 -6.860 1.00 62.13 H new ATOM 0 HB3 LEU A 53 16.313 -15.677 -6.019 1.00 62.13 H new ATOM 0 HG LEU A 53 16.146 -13.458 -6.673 1.00 33.35 H new ATOM 0 HD11 LEU A 53 18.021 -12.101 -7.513 1.00 11.35 H new ATOM 0 HD12 LEU A 53 18.338 -12.724 -5.877 1.00 11.35 H new ATOM 0 HD13 LEU A 53 19.118 -13.483 -7.284 1.00 11.35 H new ATOM 0 HD21 LEU A 53 16.624 -13.385 -9.089 1.00 52.45 H new ATOM 0 HD22 LEU A 53 17.665 -14.818 -8.921 1.00 52.45 H new ATOM 0 HD23 LEU A 53 15.919 -14.945 -8.602 1.00 52.45 H new ATOM 833 N LEU A 54 17.891 -17.245 -3.933 1.00 22.43 N ATOM 834 CA LEU A 54 17.435 -18.250 -2.978 1.00 52.04 C ATOM 835 C LEU A 54 18.143 -18.088 -1.637 1.00 62.52 C ATOM 836 O LEU A 54 17.502 -18.022 -0.588 1.00 75.32 O ATOM 837 CB LEU A 54 17.679 -19.655 -3.531 1.00 61.21 C ATOM 838 CG LEU A 54 17.039 -19.965 -4.885 1.00 11.32 C ATOM 839 CD1 LEU A 54 17.879 -20.971 -5.655 1.00 44.03 C ATOM 840 CD2 LEU A 54 15.621 -20.484 -4.698 1.00 14.32 C ATOM 0 H LEU A 54 18.540 -17.596 -4.637 1.00 22.43 H new ATOM 0 HA LEU A 54 16.366 -18.109 -2.822 1.00 52.04 H new ATOM 0 HB2 LEU A 54 18.755 -19.808 -3.617 1.00 61.21 H new ATOM 0 HB3 LEU A 54 17.311 -20.379 -2.804 1.00 61.21 H new ATOM 0 HG LEU A 54 16.994 -19.042 -5.463 1.00 11.32 H new ATOM 0 HD11 LEU A 54 17.408 -21.179 -6.616 1.00 44.03 H new ATOM 0 HD12 LEU A 54 18.876 -20.562 -5.821 1.00 44.03 H new ATOM 0 HD13 LEU A 54 17.957 -21.895 -5.081 1.00 44.03 H new ATOM 0 HD21 LEU A 54 15.181 -20.699 -5.672 1.00 14.32 H new ATOM 0 HD22 LEU A 54 15.643 -21.395 -4.100 1.00 14.32 H new ATOM 0 HD23 LEU A 54 15.022 -19.730 -4.188 1.00 14.32 H new ATOM 852 N HIS A 55 19.470 -18.024 -1.679 1.00 3.53 N ATOM 853 CA HIS A 55 20.266 -17.867 -0.467 1.00 3.44 C ATOM 854 C HIS A 55 19.830 -16.630 0.313 1.00 1.14 C ATOM 855 O HIS A 55 19.846 -16.622 1.545 1.00 42.55 O ATOM 856 CB HIS A 55 21.751 -17.766 -0.816 1.00 24.02 C ATOM 857 CG HIS A 55 22.655 -17.884 0.372 1.00 25.24 C ATOM 858 ND1 HIS A 55 22.814 -16.877 1.300 1.00 3.23 N ATOM 859 CD2 HIS A 55 23.450 -18.900 0.782 1.00 23.24 C ATOM 860 CE1 HIS A 55 23.669 -17.267 2.229 1.00 62.22 C ATOM 861 NE2 HIS A 55 24.070 -18.492 1.938 1.00 14.20 N ATOM 0 H HIS A 55 20.016 -18.078 -2.539 1.00 3.53 H new ATOM 0 HA HIS A 55 20.106 -18.745 0.159 1.00 3.44 H new ATOM 0 HB2 HIS A 55 22.002 -18.549 -1.532 1.00 24.02 H new ATOM 0 HB3 HIS A 55 21.936 -16.812 -1.309 1.00 24.02 H new ATOM 0 HD2 HIS A 55 23.574 -19.854 0.291 1.00 23.24 H new ATOM 0 HE1 HIS A 55 23.986 -16.684 3.081 1.00 62.22 H new ATOM 0 HE2 HIS A 55 24.732 -19.045 2.483 1.00 14.20 H new ATOM 869 N LYS A 56 19.441 -15.586 -0.411 1.00 24.10 N ATOM 870 CA LYS A 56 19.000 -14.344 0.212 1.00 43.33 C ATOM 871 C LYS A 56 17.637 -14.521 0.873 1.00 2.42 C ATOM 872 O LYS A 56 17.335 -13.876 1.877 1.00 61.24 O ATOM 873 CB LYS A 56 18.932 -13.224 -0.829 1.00 4.31 C ATOM 874 CG LYS A 56 20.285 -12.613 -1.154 1.00 74.24 C ATOM 875 CD LYS A 56 20.784 -11.729 -0.024 1.00 22.52 C ATOM 876 CE LYS A 56 22.303 -11.739 0.062 1.00 32.40 C ATOM 877 NZ LYS A 56 22.871 -10.364 0.005 1.00 54.02 N ATOM 0 H LYS A 56 19.422 -15.576 -1.431 1.00 24.10 H new ATOM 0 HA LYS A 56 19.725 -14.075 0.980 1.00 43.33 H new ATOM 0 HB2 LYS A 56 18.491 -13.617 -1.745 1.00 4.31 H new ATOM 0 HB3 LYS A 56 18.267 -12.441 -0.465 1.00 4.31 H new ATOM 0 HG2 LYS A 56 21.008 -13.407 -1.342 1.00 74.24 H new ATOM 0 HG3 LYS A 56 20.210 -12.027 -2.070 1.00 74.24 H new ATOM 0 HD2 LYS A 56 20.434 -10.708 -0.177 1.00 22.52 H new ATOM 0 HD3 LYS A 56 20.363 -12.072 0.921 1.00 22.52 H new ATOM 0 HE2 LYS A 56 22.611 -12.221 0.990 1.00 32.40 H new ATOM 0 HE3 LYS A 56 22.709 -12.334 -0.756 1.00 32.40 H new ATOM 0 HZ1 LYS A 56 23.908 -10.414 0.066 1.00 54.02 H new ATOM 0 HZ2 LYS A 56 22.599 -9.913 -0.892 1.00 54.02 H new ATOM 0 HZ3 LYS A 56 22.504 -9.803 0.800 1.00 54.02 H new ATOM 891 N GLY A 57 16.818 -15.400 0.304 1.00 11.05 N ATOM 892 CA GLY A 57 15.497 -15.647 0.854 1.00 44.43 C ATOM 893 C GLY A 57 15.548 -16.384 2.177 1.00 4.11 C ATOM 894 O GLY A 57 14.847 -16.026 3.123 1.00 34.44 O ATOM 0 H GLY A 57 17.045 -15.945 -0.527 1.00 11.05 H new ATOM 0 HA2 GLY A 57 14.980 -14.697 0.991 1.00 44.43 H new ATOM 0 HA3 GLY A 57 14.913 -16.228 0.140 1.00 44.43 H new ATOM 898 N LYS A 58 16.380 -17.418 2.245 1.00 40.12 N ATOM 899 CA LYS A 58 16.521 -18.209 3.461 1.00 35.15 C ATOM 900 C LYS A 58 17.295 -17.438 4.526 1.00 52.24 C ATOM 901 O LYS A 58 17.201 -17.740 5.715 1.00 62.14 O ATOM 902 CB LYS A 58 17.230 -19.530 3.156 1.00 23.13 C ATOM 903 CG LYS A 58 18.586 -19.354 2.494 1.00 53.50 C ATOM 904 CD LYS A 58 19.669 -19.045 3.514 1.00 53.31 C ATOM 905 CE LYS A 58 20.805 -20.053 3.443 1.00 43.03 C ATOM 906 NZ LYS A 58 21.881 -19.746 4.425 1.00 23.25 N ATOM 0 H LYS A 58 16.967 -17.728 1.471 1.00 40.12 H new ATOM 0 HA LYS A 58 15.523 -18.420 3.844 1.00 35.15 H new ATOM 0 HB2 LYS A 58 17.358 -20.087 4.084 1.00 23.13 H new ATOM 0 HB3 LYS A 58 16.594 -20.133 2.508 1.00 23.13 H new ATOM 0 HG2 LYS A 58 18.846 -20.261 1.949 1.00 53.50 H new ATOM 0 HG3 LYS A 58 18.533 -18.547 1.763 1.00 53.50 H new ATOM 0 HD2 LYS A 58 20.059 -18.042 3.339 1.00 53.31 H new ATOM 0 HD3 LYS A 58 19.239 -19.050 4.516 1.00 53.31 H new ATOM 0 HE2 LYS A 58 20.415 -21.053 3.632 1.00 43.03 H new ATOM 0 HE3 LYS A 58 21.223 -20.059 2.436 1.00 43.03 H new ATOM 0 HZ1 LYS A 58 22.637 -20.456 4.345 1.00 23.25 H new ATOM 0 HZ2 LYS A 58 22.271 -18.802 4.229 1.00 23.25 H new ATOM 0 HZ3 LYS A 58 21.488 -19.765 5.388 1.00 23.25 H new ATOM 920 N GLU A 59 18.058 -16.440 4.089 1.00 33.35 N ATOM 921 CA GLU A 59 18.847 -15.626 5.006 1.00 21.11 C ATOM 922 C GLU A 59 17.974 -14.581 5.695 1.00 21.23 C ATOM 923 O GLU A 59 17.851 -14.569 6.920 1.00 10.11 O ATOM 924 CB GLU A 59 19.990 -14.938 4.257 1.00 1.21 C ATOM 925 CG GLU A 59 20.804 -13.992 5.124 1.00 20.44 C ATOM 926 CD GLU A 59 21.359 -14.669 6.363 1.00 41.22 C ATOM 927 OE1 GLU A 59 21.734 -15.857 6.273 1.00 13.43 O ATOM 928 OE2 GLU A 59 21.419 -14.009 7.422 1.00 60.32 O ATOM 0 H GLU A 59 18.146 -16.177 3.108 1.00 33.35 H new ATOM 0 HA GLU A 59 19.265 -16.284 5.768 1.00 21.11 H new ATOM 0 HB2 GLU A 59 20.652 -15.699 3.844 1.00 1.21 H new ATOM 0 HB3 GLU A 59 19.578 -14.382 3.415 1.00 1.21 H new ATOM 0 HG2 GLU A 59 21.627 -13.585 4.537 1.00 20.44 H new ATOM 0 HG3 GLU A 59 20.179 -13.151 5.423 1.00 20.44 H new ATOM 935 N VAL A 60 17.370 -13.705 4.899 1.00 41.21 N ATOM 936 CA VAL A 60 16.508 -12.656 5.431 1.00 61.13 C ATOM 937 C VAL A 60 15.474 -13.230 6.392 1.00 15.02 C ATOM 938 O VAL A 60 15.053 -12.564 7.339 1.00 10.12 O ATOM 939 CB VAL A 60 15.781 -11.901 4.302 1.00 31.21 C ATOM 940 CG1 VAL A 60 16.784 -11.284 3.339 1.00 20.43 C ATOM 941 CG2 VAL A 60 14.827 -12.832 3.568 1.00 42.51 C ATOM 0 H VAL A 60 17.462 -13.701 3.883 1.00 41.21 H new ATOM 0 HA VAL A 60 17.151 -11.959 5.968 1.00 61.13 H new ATOM 0 HB VAL A 60 15.197 -11.094 4.745 1.00 31.21 H new ATOM 0 HG11 VAL A 60 16.252 -10.755 2.549 1.00 20.43 H new ATOM 0 HG12 VAL A 60 17.422 -10.584 3.878 1.00 20.43 H new ATOM 0 HG13 VAL A 60 17.398 -12.070 2.900 1.00 20.43 H new ATOM 0 HG21 VAL A 60 14.322 -12.283 2.774 1.00 42.51 H new ATOM 0 HG22 VAL A 60 15.388 -13.661 3.136 1.00 42.51 H new ATOM 0 HG23 VAL A 60 14.087 -13.220 4.268 1.00 42.51 H new ATOM 951 N LEU A 61 15.067 -14.470 6.144 1.00 52.14 N ATOM 952 CA LEU A 61 14.081 -15.135 6.988 1.00 73.51 C ATOM 953 C LEU A 61 14.675 -15.484 8.349 1.00 65.15 C ATOM 954 O LEU A 61 14.062 -15.236 9.386 1.00 22.10 O ATOM 955 CB LEU A 61 13.567 -16.403 6.303 1.00 33.13 C ATOM 956 CG LEU A 61 12.236 -16.273 5.561 1.00 1.32 C ATOM 957 CD1 LEU A 61 12.363 -15.293 4.405 1.00 4.22 C ATOM 958 CD2 LEU A 61 11.769 -17.632 5.062 1.00 53.05 C ATOM 0 H LEU A 61 15.405 -15.035 5.365 1.00 52.14 H new ATOM 0 HA LEU A 61 13.248 -14.449 7.141 1.00 73.51 H new ATOM 0 HB2 LEU A 61 14.323 -16.741 5.595 1.00 33.13 H new ATOM 0 HB3 LEU A 61 13.465 -17.183 7.057 1.00 33.13 H new ATOM 0 HG LEU A 61 11.490 -15.888 6.256 1.00 1.32 H new ATOM 0 HD11 LEU A 61 11.406 -15.213 3.889 1.00 4.22 H new ATOM 0 HD12 LEU A 61 12.651 -14.314 4.788 1.00 4.22 H new ATOM 0 HD13 LEU A 61 13.123 -15.648 3.709 1.00 4.22 H new ATOM 0 HD21 LEU A 61 10.821 -17.520 4.537 1.00 53.05 H new ATOM 0 HD22 LEU A 61 12.514 -18.046 4.382 1.00 53.05 H new ATOM 0 HD23 LEU A 61 11.637 -18.305 5.909 1.00 53.05 H new ATOM 970 N GLU A 62 15.874 -16.059 8.335 1.00 3.41 N ATOM 971 CA GLU A 62 16.552 -16.440 9.569 1.00 51.52 C ATOM 972 C GLU A 62 17.029 -15.206 10.330 1.00 23.44 C ATOM 973 O GLU A 62 17.065 -15.199 11.561 1.00 65.51 O ATOM 974 CB GLU A 62 17.739 -17.355 9.263 1.00 42.11 C ATOM 975 CG GLU A 62 17.352 -18.812 9.074 1.00 54.13 C ATOM 976 CD GLU A 62 17.410 -19.604 10.366 1.00 52.44 C ATOM 977 OE1 GLU A 62 17.269 -18.991 11.444 1.00 2.15 O ATOM 978 OE2 GLU A 62 17.596 -20.837 10.297 1.00 13.31 O ATOM 0 H GLU A 62 16.395 -16.271 7.484 1.00 3.41 H new ATOM 0 HA GLU A 62 15.840 -16.978 10.194 1.00 51.52 H new ATOM 0 HB2 GLU A 62 18.237 -17.000 8.361 1.00 42.11 H new ATOM 0 HB3 GLU A 62 18.462 -17.282 10.076 1.00 42.11 H new ATOM 0 HG2 GLU A 62 16.343 -18.866 8.664 1.00 54.13 H new ATOM 0 HG3 GLU A 62 18.018 -19.269 8.342 1.00 54.13 H new ATOM 985 N TRP A 63 17.395 -14.166 9.590 1.00 32.31 N ATOM 986 CA TRP A 63 17.871 -12.927 10.195 1.00 31.40 C ATOM 987 C TRP A 63 16.712 -12.124 10.774 1.00 13.03 C ATOM 988 O TRP A 63 16.769 -11.670 11.917 1.00 41.14 O ATOM 989 CB TRP A 63 18.624 -12.088 9.162 1.00 54.42 C ATOM 990 CG TRP A 63 19.354 -10.924 9.760 1.00 11.35 C ATOM 991 CD1 TRP A 63 19.981 -10.886 10.973 1.00 44.31 C ATOM 992 CD2 TRP A 63 19.530 -9.629 9.174 1.00 22.44 C ATOM 993 NE1 TRP A 63 20.537 -9.646 11.176 1.00 41.51 N ATOM 994 CE2 TRP A 63 20.275 -8.857 10.087 1.00 43.11 C ATOM 995 CE3 TRP A 63 19.133 -9.048 7.967 1.00 23.41 C ATOM 996 CZ2 TRP A 63 20.628 -7.535 9.828 1.00 24.23 C ATOM 997 CZ3 TRP A 63 19.484 -7.736 7.712 1.00 24.41 C ATOM 998 CH2 TRP A 63 20.226 -6.992 8.639 1.00 44.34 C ATOM 0 H TRP A 63 17.371 -14.156 8.570 1.00 32.31 H new ATOM 0 HA TRP A 63 18.550 -13.186 11.007 1.00 31.40 H new ATOM 0 HB2 TRP A 63 19.337 -12.724 8.638 1.00 54.42 H new ATOM 0 HB3 TRP A 63 17.917 -11.721 8.418 1.00 54.42 H new ATOM 0 HD1 TRP A 63 20.032 -11.709 11.670 1.00 44.31 H new ATOM 0 HE1 TRP A 63 21.060 -9.359 12.003 1.00 41.51 H new ATOM 0 HE3 TRP A 63 18.562 -9.614 7.246 1.00 23.41 H new ATOM 0 HZ2 TRP A 63 21.199 -6.959 10.541 1.00 24.23 H new ATOM 0 HZ3 TRP A 63 19.181 -7.276 6.783 1.00 24.41 H new ATOM 0 HH2 TRP A 63 20.486 -5.969 8.410 1.00 44.34 H new ATOM 1009 N ALA A 64 15.661 -11.952 9.979 1.00 34.53 N ATOM 1010 CA ALA A 64 14.487 -11.206 10.415 1.00 1.50 C ATOM 1011 C ALA A 64 13.921 -11.779 11.710 1.00 40.23 C ATOM 1012 O ALA A 64 13.354 -11.052 12.525 1.00 51.13 O ATOM 1013 CB ALA A 64 13.425 -11.208 9.325 1.00 21.54 C ATOM 0 H ALA A 64 15.599 -12.319 9.029 1.00 34.53 H new ATOM 0 HA ALA A 64 14.792 -10.177 10.607 1.00 1.50 H new ATOM 0 HB1 ALA A 64 12.554 -10.647 9.665 1.00 21.54 H new ATOM 0 HB2 ALA A 64 13.827 -10.744 8.424 1.00 21.54 H new ATOM 0 HB3 ALA A 64 13.132 -12.234 9.104 1.00 21.54 H new ATOM 1019 N GLU A 65 14.079 -13.086 11.891 1.00 35.34 N ATOM 1020 CA GLU A 65 13.581 -13.756 13.087 1.00 31.12 C ATOM 1021 C GLU A 65 14.484 -13.474 14.284 1.00 21.14 C ATOM 1022 O GLU A 65 14.058 -13.577 15.435 1.00 3.34 O ATOM 1023 CB GLU A 65 13.485 -15.265 12.851 1.00 13.21 C ATOM 1024 CG GLU A 65 12.296 -15.673 11.996 1.00 4.45 C ATOM 1025 CD GLU A 65 11.482 -16.788 12.624 1.00 42.45 C ATOM 1026 OE1 GLU A 65 11.233 -16.724 13.846 1.00 54.14 O ATOM 1027 OE2 GLU A 65 11.095 -17.723 11.893 1.00 30.31 O ATOM 0 H GLU A 65 14.547 -13.702 11.226 1.00 35.34 H new ATOM 0 HA GLU A 65 12.587 -13.366 13.304 1.00 31.12 H new ATOM 0 HB2 GLU A 65 14.402 -15.608 12.371 1.00 13.21 H new ATOM 0 HB3 GLU A 65 13.420 -15.772 13.814 1.00 13.21 H new ATOM 0 HG2 GLU A 65 11.655 -14.806 11.835 1.00 4.45 H new ATOM 0 HG3 GLU A 65 12.651 -15.994 11.017 1.00 4.45 H new ATOM 1034 N HIS A 66 15.734 -13.119 14.005 1.00 41.24 N ATOM 1035 CA HIS A 66 16.698 -12.822 15.058 1.00 45.22 C ATOM 1036 C HIS A 66 16.312 -11.549 15.805 1.00 32.35 C ATOM 1037 O HIS A 66 16.223 -11.541 17.034 1.00 71.30 O ATOM 1038 CB HIS A 66 18.101 -12.674 14.467 1.00 20.02 C ATOM 1039 CG HIS A 66 19.104 -13.613 15.063 1.00 30.14 C ATOM 1040 ND1 HIS A 66 19.650 -13.434 16.317 1.00 61.41 N ATOM 1041 CD2 HIS A 66 19.658 -14.746 14.571 1.00 1.32 C ATOM 1042 CE1 HIS A 66 20.498 -14.415 16.569 1.00 21.42 C ATOM 1043 NE2 HIS A 66 20.521 -15.225 15.526 1.00 70.11 N ATOM 0 H HIS A 66 16.103 -13.030 13.058 1.00 41.24 H new ATOM 0 HA HIS A 66 16.694 -13.652 15.764 1.00 45.22 H new ATOM 0 HB2 HIS A 66 18.053 -12.842 13.391 1.00 20.02 H new ATOM 0 HB3 HIS A 66 18.442 -11.649 14.615 1.00 20.02 H new ATOM 0 HD2 HIS A 66 19.459 -15.190 13.607 1.00 1.32 H new ATOM 0 HE1 HIS A 66 21.075 -14.534 17.474 1.00 21.42 H new ATOM 0 HE2 HIS A 66 21.088 -16.069 15.443 1.00 70.11 H new ATOM 1051 N LEU A 67 16.084 -10.476 15.057 1.00 12.43 N ATOM 1052 CA LEU A 67 15.707 -9.197 15.649 1.00 2.52 C ATOM 1053 C LEU A 67 14.293 -9.255 16.217 1.00 12.14 C ATOM 1054 O LEU A 67 13.986 -8.601 17.213 1.00 1.45 O ATOM 1055 CB LEU A 67 15.805 -8.081 14.607 1.00 74.43 C ATOM 1056 CG LEU A 67 14.654 -7.998 13.604 1.00 55.33 C ATOM 1057 CD1 LEU A 67 13.593 -7.022 14.089 1.00 51.45 C ATOM 1058 CD2 LEU A 67 15.170 -7.589 12.232 1.00 41.11 C ATOM 0 H LEU A 67 16.153 -10.466 14.039 1.00 12.43 H new ATOM 0 HA LEU A 67 16.398 -8.985 16.465 1.00 2.52 H new ATOM 0 HB2 LEU A 67 15.874 -7.127 15.130 1.00 74.43 H new ATOM 0 HB3 LEU A 67 16.735 -8.209 14.053 1.00 74.43 H new ATOM 0 HG LEU A 67 14.199 -8.985 13.519 1.00 55.33 H new ATOM 0 HD11 LEU A 67 12.782 -6.976 13.363 1.00 51.45 H new ATOM 0 HD12 LEU A 67 13.202 -7.358 15.049 1.00 51.45 H new ATOM 0 HD13 LEU A 67 14.034 -6.032 14.203 1.00 51.45 H new ATOM 0 HD21 LEU A 67 14.337 -7.535 11.531 1.00 41.11 H new ATOM 0 HD22 LEU A 67 15.651 -6.613 12.300 1.00 41.11 H new ATOM 0 HD23 LEU A 67 15.893 -8.326 11.881 1.00 41.11 H new ATOM 1070 N ALA A 68 13.436 -10.044 15.578 1.00 30.42 N ATOM 1071 CA ALA A 68 12.056 -10.192 16.022 1.00 15.34 C ATOM 1072 C ALA A 68 11.989 -10.835 17.403 1.00 11.04 C ATOM 1073 O ALA A 68 11.112 -10.515 18.205 1.00 73.12 O ATOM 1074 CB ALA A 68 11.262 -11.013 15.017 1.00 43.13 C ATOM 0 H ALA A 68 13.674 -10.591 14.750 1.00 30.42 H new ATOM 0 HA ALA A 68 11.615 -9.198 16.091 1.00 15.34 H new ATOM 0 HB1 ALA A 68 10.233 -11.115 15.362 1.00 43.13 H new ATOM 0 HB2 ALA A 68 11.272 -10.512 14.049 1.00 43.13 H new ATOM 0 HB3 ALA A 68 11.711 -12.001 14.919 1.00 43.13 H new ATOM 1080 N GLU A 69 12.921 -11.743 17.674 1.00 60.53 N ATOM 1081 CA GLU A 69 12.966 -12.432 18.958 1.00 34.31 C ATOM 1082 C GLU A 69 13.640 -11.565 20.017 1.00 23.43 C ATOM 1083 O GLU A 69 13.440 -11.763 21.216 1.00 54.43 O ATOM 1084 CB GLU A 69 13.709 -13.763 18.823 1.00 43.31 C ATOM 1085 CG GLU A 69 12.897 -14.847 18.134 1.00 43.41 C ATOM 1086 CD GLU A 69 12.345 -15.870 19.107 1.00 1.44 C ATOM 1087 OE1 GLU A 69 13.090 -16.278 20.023 1.00 34.32 O ATOM 1088 OE2 GLU A 69 11.170 -16.262 18.954 1.00 54.33 O ATOM 0 H GLU A 69 13.655 -12.019 17.022 1.00 60.53 H new ATOM 0 HA GLU A 69 11.941 -12.628 19.272 1.00 34.31 H new ATOM 0 HB2 GLU A 69 14.630 -13.600 18.263 1.00 43.31 H new ATOM 0 HB3 GLU A 69 13.996 -14.111 19.815 1.00 43.31 H new ATOM 0 HG2 GLU A 69 12.072 -14.387 17.590 1.00 43.41 H new ATOM 0 HG3 GLU A 69 13.523 -15.352 17.398 1.00 43.41 H new ATOM 1095 N TRP A 70 14.441 -10.606 19.566 1.00 74.50 N ATOM 1096 CA TRP A 70 15.146 -9.709 20.474 1.00 31.44 C ATOM 1097 C TRP A 70 14.218 -9.212 21.577 1.00 1.41 C ATOM 1098 O TRP A 70 14.636 -9.045 22.724 1.00 75.44 O ATOM 1099 CB TRP A 70 15.725 -8.522 19.704 1.00 63.04 C ATOM 1100 CG TRP A 70 16.787 -7.783 20.461 1.00 60.31 C ATOM 1101 CD1 TRP A 70 18.138 -7.945 20.346 1.00 22.03 C ATOM 1102 CD2 TRP A 70 16.585 -6.769 21.450 1.00 11.45 C ATOM 1103 NE1 TRP A 70 18.788 -7.092 21.205 1.00 3.20 N ATOM 1104 CE2 TRP A 70 17.858 -6.359 21.893 1.00 51.20 C ATOM 1105 CE3 TRP A 70 15.453 -6.165 22.004 1.00 11.32 C ATOM 1106 CZ2 TRP A 70 18.027 -5.375 22.863 1.00 2.32 C ATOM 1107 CZ3 TRP A 70 15.623 -5.188 22.967 1.00 34.43 C ATOM 1108 CH2 TRP A 70 16.902 -4.800 23.388 1.00 35.54 C ATOM 0 H TRP A 70 14.618 -10.430 18.577 1.00 74.50 H new ATOM 0 HA TRP A 70 15.962 -10.266 20.935 1.00 31.44 H new ATOM 0 HB2 TRP A 70 16.142 -8.878 18.762 1.00 63.04 H new ATOM 0 HB3 TRP A 70 14.919 -7.831 19.455 1.00 63.04 H new ATOM 0 HD1 TRP A 70 18.624 -8.641 19.678 1.00 22.03 H new ATOM 0 HE1 TRP A 70 19.800 -7.017 21.313 1.00 3.20 H new ATOM 0 HE3 TRP A 70 14.463 -6.456 21.685 1.00 11.32 H new ATOM 0 HZ2 TRP A 70 19.012 -5.076 23.190 1.00 2.32 H new ATOM 0 HZ3 TRP A 70 14.755 -4.715 23.402 1.00 34.43 H new ATOM 0 HH2 TRP A 70 17.002 -4.032 24.141 1.00 35.54 H new ATOM 1119 N ILE A 71 12.959 -8.976 21.224 1.00 42.44 N ATOM 1120 CA ILE A 71 11.973 -8.498 22.185 1.00 60.12 C ATOM 1121 C ILE A 71 11.969 -9.360 23.443 1.00 71.45 C ATOM 1122 O ILE A 71 11.931 -8.846 24.561 1.00 20.12 O ATOM 1123 CB ILE A 71 10.557 -8.486 21.580 1.00 51.04 C ATOM 1124 CG1 ILE A 71 10.209 -9.864 21.013 1.00 32.25 C ATOM 1125 CG2 ILE A 71 10.452 -7.421 20.498 1.00 63.20 C ATOM 1126 CD1 ILE A 71 8.956 -9.870 20.166 1.00 33.42 C ATOM 0 H ILE A 71 12.598 -9.108 20.279 1.00 42.44 H new ATOM 0 HA ILE A 71 12.256 -7.478 22.447 1.00 60.12 H new ATOM 0 HB ILE A 71 9.843 -8.247 22.369 1.00 51.04 H new ATOM 0 HG12 ILE A 71 11.045 -10.223 20.413 1.00 32.25 H new ATOM 0 HG13 ILE A 71 10.084 -10.566 21.837 1.00 32.25 H new ATOM 0 HG21 ILE A 71 9.445 -7.425 20.080 1.00 63.20 H new ATOM 0 HG22 ILE A 71 10.662 -6.442 20.929 1.00 63.20 H new ATOM 0 HG23 ILE A 71 11.173 -7.632 19.709 1.00 63.20 H new ATOM 0 HD11 ILE A 71 8.771 -10.879 19.798 1.00 33.42 H new ATOM 0 HD12 ILE A 71 8.108 -9.542 20.768 1.00 33.42 H new ATOM 0 HD13 ILE A 71 9.085 -9.193 19.321 1.00 33.42 H new ATOM 1138 N LEU A 72 12.010 -10.674 23.252 1.00 33.52 N ATOM 1139 CA LEU A 72 12.013 -11.610 24.372 1.00 53.04 C ATOM 1140 C LEU A 72 13.361 -11.602 25.085 1.00 40.53 C ATOM 1141 O LEU A 72 13.424 -11.638 26.313 1.00 11.20 O ATOM 1142 CB LEU A 72 11.691 -13.023 23.882 1.00 52.12 C ATOM 1143 CG LEU A 72 10.434 -13.166 23.023 1.00 15.53 C ATOM 1144 CD1 LEU A 72 10.785 -13.711 21.648 1.00 44.52 C ATOM 1145 CD2 LEU A 72 9.417 -14.065 23.711 1.00 21.03 C ATOM 0 H LEU A 72 12.042 -11.116 22.333 1.00 33.52 H new ATOM 0 HA LEU A 72 11.247 -11.294 25.080 1.00 53.04 H new ATOM 0 HB2 LEU A 72 12.542 -13.390 23.308 1.00 52.12 H new ATOM 0 HB3 LEU A 72 11.589 -13.673 24.751 1.00 52.12 H new ATOM 0 HG LEU A 72 9.990 -12.178 22.897 1.00 15.53 H new ATOM 0 HD11 LEU A 72 9.878 -13.806 21.052 1.00 44.52 H new ATOM 0 HD12 LEU A 72 11.476 -13.029 21.152 1.00 44.52 H new ATOM 0 HD13 LEU A 72 11.254 -14.689 21.753 1.00 44.52 H new ATOM 0 HD21 LEU A 72 8.529 -14.155 23.085 1.00 21.03 H new ATOM 0 HD22 LEU A 72 9.852 -15.052 23.869 1.00 21.03 H new ATOM 0 HD23 LEU A 72 9.141 -13.632 24.673 1.00 21.03 H new ATOM 1157 N GLU A 73 14.437 -11.551 24.305 1.00 33.32 N ATOM 1158 CA GLU A 73 15.784 -11.536 24.864 1.00 73.45 C ATOM 1159 C GLU A 73 15.940 -10.407 25.878 1.00 71.12 C ATOM 1160 O GLU A 73 16.685 -10.530 26.851 1.00 40.24 O ATOM 1161 CB GLU A 73 16.820 -11.382 23.749 1.00 62.25 C ATOM 1162 CG GLU A 73 17.688 -12.614 23.549 1.00 11.55 C ATOM 1163 CD GLU A 73 17.101 -13.584 22.543 1.00 44.15 C ATOM 1164 OE1 GLU A 73 15.940 -14.002 22.730 1.00 74.21 O ATOM 1165 OE2 GLU A 73 17.804 -13.925 21.568 1.00 34.10 O ATOM 0 H GLU A 73 14.402 -11.519 23.286 1.00 33.32 H new ATOM 0 HA GLU A 73 15.949 -12.485 25.375 1.00 73.45 H new ATOM 0 HB2 GLU A 73 16.305 -11.155 22.815 1.00 62.25 H new ATOM 0 HB3 GLU A 73 17.461 -10.530 23.975 1.00 62.25 H new ATOM 0 HG2 GLU A 73 18.679 -12.306 23.215 1.00 11.55 H new ATOM 0 HG3 GLU A 73 17.817 -13.122 24.505 1.00 11.55 H new ATOM 1172 N HIS A 74 15.232 -9.307 25.643 1.00 1.31 N ATOM 1173 CA HIS A 74 15.291 -8.155 26.536 1.00 44.43 C ATOM 1174 C HIS A 74 16.734 -7.704 26.746 1.00 52.33 C ATOM 1175 O HIS A 74 17.038 -6.512 26.677 1.00 32.35 O ATOM 1176 CB HIS A 74 14.649 -8.492 27.882 1.00 42.04 C ATOM 1177 CG HIS A 74 13.199 -8.126 27.962 1.00 60.43 C ATOM 1178 ND1 HIS A 74 12.193 -9.061 28.093 1.00 5.33 N ATOM 1179 CD2 HIS A 74 12.587 -6.919 27.930 1.00 62.43 C ATOM 1180 CE1 HIS A 74 11.026 -8.444 28.137 1.00 32.51 C ATOM 1181 NE2 HIS A 74 11.237 -7.144 28.040 1.00 20.23 N ATOM 0 H HIS A 74 14.611 -9.189 24.842 1.00 1.31 H new ATOM 0 HA HIS A 74 14.737 -7.339 26.072 1.00 44.43 H new ATOM 0 HB2 HIS A 74 14.756 -9.560 28.069 1.00 42.04 H new ATOM 0 HB3 HIS A 74 15.190 -7.974 28.673 1.00 42.04 H new ATOM 0 HD2 HIS A 74 13.071 -5.958 27.836 1.00 62.43 H new ATOM 0 HE1 HIS A 74 10.062 -8.922 28.236 1.00 32.51 H new ATOM 0 HE2 HIS A 74 10.514 -6.424 28.046 1.00 20.23 H new