USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 429 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 LEU N :NH3+ -170:sc= -12.7! (180deg=-13.4!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 11 LYS NZ :NH3+ -116:sc= -2.14 (180deg=-5.74!) USER MOD Single : A 13 LYS NZ :NH3+ 146:sc= -0.313 (180deg=-2.49!) USER MOD Single : A 22 ASN :FLIP amide:sc= -4.32! F(o=-5.1,f=-4.3!) USER MOD Single : A 29 SER OG : rot 180:sc= -0.0912 USER MOD Single : A 31 GLN : amide:sc= -0.149 K(o=-0.15,f=-1.1) USER MOD Single : A 34 SER OG : rot 85:sc= 1.23 USER MOD Single : A 36 GLN : amide:sc= -0.0721 K(o=-0.072,f=-0.77) USER MOD Single : A 43 CYS SG : rot 180:sc= -0.576 USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= -0.0151 (180deg=-0.634) USER MOD Single : A 48 HIS : no HD1:sc= -2.32 X(o=-2.3,f=-2.5) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 72:sc= 0.117 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -0.787 -2.795 -4.512 1.00 51.54 N ATOM 2 CA LEU A 1 0.274 -2.103 -3.789 1.00 24.21 C ATOM 3 C LEU A 1 0.098 -0.591 -3.878 1.00 2.34 C ATOM 4 O LEU A 1 -0.406 0.042 -2.950 1.00 12.32 O ATOM 5 CB LEU A 1 1.642 -2.502 -4.346 1.00 30.40 C ATOM 6 CG LEU A 1 1.628 -3.468 -5.531 1.00 71.33 C ATOM 7 CD1 LEU A 1 0.882 -4.744 -5.171 1.00 64.05 C ATOM 8 CD2 LEU A 1 1.001 -2.808 -6.750 1.00 52.42 C ATOM 0 H1 LEU A 1 -0.746 -3.812 -4.299 1.00 51.54 H new ATOM 0 H2 LEU A 1 -1.710 -2.417 -4.219 1.00 51.54 H new ATOM 0 H3 LEU A 1 -0.662 -2.650 -5.534 1.00 51.54 H new ATOM 0 HA LEU A 1 0.215 -2.396 -2.741 1.00 24.21 H new ATOM 0 HB2 LEU A 1 2.168 -1.596 -4.648 1.00 30.40 H new ATOM 0 HB3 LEU A 1 2.222 -2.954 -3.541 1.00 30.40 H new ATOM 0 HG LEU A 1 2.658 -3.730 -5.774 1.00 71.33 H new ATOM 0 HD11 LEU A 1 0.882 -5.419 -6.027 1.00 64.05 H new ATOM 0 HD12 LEU A 1 1.374 -5.227 -4.327 1.00 64.05 H new ATOM 0 HD13 LEU A 1 -0.146 -4.501 -4.901 1.00 64.05 H new ATOM 0 HD21 LEU A 1 1.000 -3.510 -7.584 1.00 52.42 H new ATOM 0 HD22 LEU A 1 -0.024 -2.517 -6.519 1.00 52.42 H new ATOM 0 HD23 LEU A 1 1.577 -1.924 -7.022 1.00 52.42 H new ATOM 20 N LYS A 2 0.515 -0.017 -5.001 1.00 4.40 N ATOM 21 CA LYS A 2 0.401 1.421 -5.214 1.00 42.22 C ATOM 22 C LYS A 2 0.933 1.811 -6.590 1.00 13.23 C ATOM 23 O LYS A 2 0.174 1.911 -7.554 1.00 60.31 O ATOM 24 CB LYS A 2 1.164 2.181 -4.127 1.00 1.03 C ATOM 25 CG LYS A 2 1.226 3.680 -4.362 1.00 2.32 C ATOM 26 CD LYS A 2 2.661 4.176 -4.427 1.00 62.54 C ATOM 27 CE LYS A 2 2.841 5.220 -5.518 1.00 62.15 C ATOM 28 NZ LYS A 2 2.845 6.603 -4.967 1.00 3.10 N ATOM 0 H LYS A 2 0.935 -0.526 -5.779 1.00 4.40 H new ATOM 0 HA LYS A 2 -0.655 1.688 -5.162 1.00 42.22 H new ATOM 0 HB2 LYS A 2 0.691 1.992 -3.163 1.00 1.03 H new ATOM 0 HB3 LYS A 2 2.179 1.789 -4.066 1.00 1.03 H new ATOM 0 HG2 LYS A 2 0.713 3.925 -5.292 1.00 2.32 H new ATOM 0 HG3 LYS A 2 0.697 4.197 -3.561 1.00 2.32 H new ATOM 0 HD2 LYS A 2 2.944 4.602 -3.464 1.00 62.54 H new ATOM 0 HD3 LYS A 2 3.330 3.335 -4.613 1.00 62.54 H new ATOM 0 HE2 LYS A 2 3.777 5.036 -6.045 1.00 62.15 H new ATOM 0 HE3 LYS A 2 2.039 5.123 -6.250 1.00 62.15 H new ATOM 0 HZ1 LYS A 2 2.970 7.285 -5.742 1.00 3.10 H new ATOM 0 HZ2 LYS A 2 1.942 6.788 -4.486 1.00 3.10 H new ATOM 0 HZ3 LYS A 2 3.626 6.704 -4.288 1.00 3.10 H new ATOM 42 N VAL A 3 2.241 2.030 -6.673 1.00 62.24 N ATOM 43 CA VAL A 3 2.874 2.406 -7.932 1.00 5.34 C ATOM 44 C VAL A 3 2.333 3.737 -8.443 1.00 22.32 C ATOM 45 O VAL A 3 3.017 4.758 -8.392 1.00 65.24 O ATOM 46 CB VAL A 3 2.661 1.329 -9.012 1.00 25.15 C ATOM 47 CG1 VAL A 3 3.235 1.787 -10.344 1.00 13.32 C ATOM 48 CG2 VAL A 3 3.285 0.011 -8.579 1.00 21.33 C ATOM 0 H VAL A 3 2.883 1.954 -5.884 1.00 62.24 H new ATOM 0 HA VAL A 3 3.941 2.503 -7.733 1.00 5.34 H new ATOM 0 HB VAL A 3 1.590 1.174 -9.140 1.00 25.15 H new ATOM 0 HG11 VAL A 3 3.075 1.013 -11.095 1.00 13.32 H new ATOM 0 HG12 VAL A 3 2.738 2.705 -10.658 1.00 13.32 H new ATOM 0 HG13 VAL A 3 4.304 1.972 -10.235 1.00 13.32 H new ATOM 0 HG21 VAL A 3 3.125 -0.739 -9.354 1.00 21.33 H new ATOM 0 HG22 VAL A 3 4.355 0.149 -8.423 1.00 21.33 H new ATOM 0 HG23 VAL A 3 2.823 -0.323 -7.650 1.00 21.33 H new ATOM 58 N GLY A 4 1.098 3.717 -8.935 1.00 42.13 N ATOM 59 CA GLY A 4 0.485 4.928 -9.449 1.00 1.14 C ATOM 60 C GLY A 4 -0.983 4.741 -9.776 1.00 31.13 C ATOM 61 O GLY A 4 -1.546 5.480 -10.583 1.00 41.34 O ATOM 0 H GLY A 4 0.511 2.884 -8.987 1.00 42.13 H new ATOM 0 HA2 GLY A 4 0.592 5.726 -8.714 1.00 1.14 H new ATOM 0 HA3 GLY A 4 1.016 5.248 -10.346 1.00 1.14 H new ATOM 65 N PHE A 5 -1.606 3.748 -9.148 1.00 45.35 N ATOM 66 CA PHE A 5 -3.017 3.464 -9.379 1.00 51.13 C ATOM 67 C PHE A 5 -3.880 4.671 -9.024 1.00 51.55 C ATOM 68 O PHE A 5 -5.026 4.779 -9.461 1.00 14.13 O ATOM 69 CB PHE A 5 -3.456 2.250 -8.557 1.00 43.34 C ATOM 70 CG PHE A 5 -4.629 2.526 -7.661 1.00 72.42 C ATOM 71 CD1 PHE A 5 -4.451 3.145 -6.435 1.00 2.22 C ATOM 72 CD2 PHE A 5 -5.911 2.165 -8.045 1.00 43.34 C ATOM 73 CE1 PHE A 5 -5.529 3.399 -5.608 1.00 61.20 C ATOM 74 CE2 PHE A 5 -6.993 2.417 -7.223 1.00 22.20 C ATOM 75 CZ PHE A 5 -6.802 3.035 -6.003 1.00 44.31 C ATOM 0 H PHE A 5 -1.155 3.127 -8.476 1.00 45.35 H new ATOM 0 HA PHE A 5 -3.149 3.244 -10.438 1.00 51.13 H new ATOM 0 HB2 PHE A 5 -3.710 1.435 -9.235 1.00 43.34 H new ATOM 0 HB3 PHE A 5 -2.617 1.910 -7.950 1.00 43.34 H new ATOM 0 HD1 PHE A 5 -3.458 3.433 -6.121 1.00 2.22 H new ATOM 0 HD2 PHE A 5 -6.066 1.681 -8.998 1.00 43.34 H new ATOM 0 HE1 PHE A 5 -5.376 3.882 -4.654 1.00 61.20 H new ATOM 0 HE2 PHE A 5 -7.987 2.131 -7.534 1.00 22.20 H new ATOM 0 HZ PHE A 5 -7.646 3.233 -5.359 1.00 44.31 H new ATOM 85 N PHE A 6 -3.321 5.578 -8.229 1.00 61.35 N ATOM 86 CA PHE A 6 -4.039 6.777 -7.814 1.00 3.11 C ATOM 87 C PHE A 6 -4.378 7.652 -9.017 1.00 42.30 C ATOM 88 O PHE A 6 -5.371 8.379 -9.011 1.00 15.14 O ATOM 89 CB PHE A 6 -3.205 7.574 -6.808 1.00 64.34 C ATOM 90 CG PHE A 6 -4.029 8.268 -5.762 1.00 70.50 C ATOM 91 CD1 PHE A 6 -4.856 7.542 -4.919 1.00 43.42 C ATOM 92 CD2 PHE A 6 -3.978 9.645 -5.622 1.00 4.03 C ATOM 93 CE1 PHE A 6 -5.615 8.178 -3.955 1.00 34.31 C ATOM 94 CE2 PHE A 6 -4.735 10.286 -4.659 1.00 64.31 C ATOM 95 CZ PHE A 6 -5.555 9.551 -3.826 1.00 14.45 C ATOM 0 H PHE A 6 -2.373 5.505 -7.860 1.00 61.35 H new ATOM 0 HA PHE A 6 -4.970 6.467 -7.339 1.00 3.11 H new ATOM 0 HB2 PHE A 6 -2.502 6.901 -6.317 1.00 64.34 H new ATOM 0 HB3 PHE A 6 -2.614 8.316 -7.345 1.00 64.34 H new ATOM 0 HD1 PHE A 6 -4.908 6.468 -5.017 1.00 43.42 H new ATOM 0 HD2 PHE A 6 -3.340 10.225 -6.272 1.00 4.03 H new ATOM 0 HE1 PHE A 6 -6.255 7.601 -3.303 1.00 34.31 H new ATOM 0 HE2 PHE A 6 -4.685 11.360 -4.558 1.00 64.31 H new ATOM 0 HZ PHE A 6 -6.149 10.050 -3.074 1.00 14.45 H new ATOM 105 N LYS A 7 -3.544 7.578 -10.049 1.00 31.40 N ATOM 106 CA LYS A 7 -3.754 8.361 -11.261 1.00 4.14 C ATOM 107 C LYS A 7 -5.055 7.962 -11.948 1.00 54.32 C ATOM 108 O LYS A 7 -5.538 8.662 -12.839 1.00 4.31 O ATOM 109 CB LYS A 7 -2.578 8.175 -12.223 1.00 33.51 C ATOM 110 CG LYS A 7 -2.562 9.177 -13.364 1.00 64.41 C ATOM 111 CD LYS A 7 -1.630 10.341 -13.071 1.00 31.35 C ATOM 112 CE LYS A 7 -0.198 9.871 -12.867 1.00 61.11 C ATOM 113 NZ LYS A 7 0.710 10.382 -13.931 1.00 71.12 N ATOM 0 H LYS A 7 -2.716 6.983 -10.070 1.00 31.40 H new ATOM 0 HA LYS A 7 -3.821 9.411 -10.978 1.00 4.14 H new ATOM 0 HB2 LYS A 7 -1.646 8.258 -11.664 1.00 33.51 H new ATOM 0 HB3 LYS A 7 -2.613 7.167 -12.636 1.00 33.51 H new ATOM 0 HG2 LYS A 7 -2.247 8.680 -14.282 1.00 64.41 H new ATOM 0 HG3 LYS A 7 -3.571 9.552 -13.534 1.00 64.41 H new ATOM 0 HD2 LYS A 7 -1.666 11.054 -13.895 1.00 31.35 H new ATOM 0 HD3 LYS A 7 -1.972 10.867 -12.180 1.00 31.35 H new ATOM 0 HE2 LYS A 7 0.159 10.206 -11.893 1.00 61.11 H new ATOM 0 HE3 LYS A 7 -0.171 8.781 -12.859 1.00 61.11 H new ATOM 0 HZ1 LYS A 7 1.676 10.040 -13.756 1.00 71.12 H new ATOM 0 HZ2 LYS A 7 0.384 10.042 -14.858 1.00 71.12 H new ATOM 0 HZ3 LYS A 7 0.704 11.422 -13.922 1.00 71.12 H new ATOM 127 N ARG A 8 -5.620 6.835 -11.528 1.00 60.12 N ATOM 128 CA ARG A 8 -6.866 6.344 -12.104 1.00 32.13 C ATOM 129 C ARG A 8 -7.913 7.453 -12.160 1.00 32.42 C ATOM 130 O ARG A 8 -8.642 7.582 -13.142 1.00 40.23 O ATOM 131 CB ARG A 8 -7.400 5.165 -11.288 1.00 62.21 C ATOM 132 CG ARG A 8 -8.501 4.387 -11.990 1.00 40.22 C ATOM 133 CD ARG A 8 -9.852 5.067 -11.830 1.00 21.31 C ATOM 134 NE ARG A 8 -10.904 4.117 -11.480 1.00 34.41 N ATOM 135 CZ ARG A 8 -12.133 4.478 -11.125 1.00 65.14 C ATOM 136 NH1 ARG A 8 -12.461 5.762 -11.075 1.00 22.52 N ATOM 137 NH2 ARG A 8 -13.035 3.554 -10.821 1.00 54.43 N ATOM 0 H ARG A 8 -5.235 6.245 -10.791 1.00 60.12 H new ATOM 0 HA ARG A 8 -6.660 6.010 -13.121 1.00 32.13 H new ATOM 0 HB2 ARG A 8 -6.576 4.488 -11.062 1.00 62.21 H new ATOM 0 HB3 ARG A 8 -7.779 5.535 -10.336 1.00 62.21 H new ATOM 0 HG2 ARG A 8 -8.263 4.293 -13.050 1.00 40.22 H new ATOM 0 HG3 ARG A 8 -8.550 3.377 -11.583 1.00 40.22 H new ATOM 0 HD2 ARG A 8 -9.783 5.833 -11.057 1.00 21.31 H new ATOM 0 HD3 ARG A 8 -10.115 5.574 -12.759 1.00 21.31 H new ATOM 0 HE ARG A 8 -10.684 3.122 -11.510 1.00 34.41 H new ATOM 0 HH11 ARG A 8 -11.770 6.474 -11.309 1.00 22.52 H new ATOM 0 HH12 ARG A 8 -13.405 6.037 -10.802 1.00 22.52 H new ATOM 0 HH21 ARG A 8 -12.786 2.566 -10.860 1.00 54.43 H new ATOM 0 HH22 ARG A 8 -13.978 3.832 -10.549 1.00 54.43 H new ATOM 151 N ASN A 9 -7.981 8.249 -11.098 1.00 55.10 N ATOM 152 CA ASN A 9 -8.940 9.346 -11.026 1.00 1.11 C ATOM 153 C ASN A 9 -8.431 10.564 -11.791 1.00 72.02 C ATOM 154 O ASN A 9 -9.165 11.171 -12.573 1.00 21.14 O ATOM 155 CB ASN A 9 -9.208 9.722 -9.567 1.00 62.31 C ATOM 156 CG ASN A 9 -10.448 9.046 -9.015 1.00 11.34 C ATOM 157 OD1 ASN A 9 -10.637 7.841 -9.177 1.00 64.33 O ATOM 158 ND2 ASN A 9 -11.301 9.823 -8.357 1.00 54.03 N ATOM 0 H ASN A 9 -7.384 8.155 -10.276 1.00 55.10 H new ATOM 0 HA ASN A 9 -9.871 9.013 -11.485 1.00 1.11 H new ATOM 0 HB2 ASN A 9 -8.346 9.446 -8.959 1.00 62.31 H new ATOM 0 HB3 ASN A 9 -9.321 10.803 -9.488 1.00 62.31 H new ATOM 0 HD21 ASN A 9 -12.153 9.425 -7.962 1.00 54.03 H new ATOM 0 HD22 ASN A 9 -11.104 10.818 -8.247 1.00 54.03 H new ATOM 165 N LEU A 10 -7.171 10.916 -11.562 1.00 20.22 N ATOM 166 CA LEU A 10 -6.563 12.061 -12.230 1.00 3.10 C ATOM 167 C LEU A 10 -6.622 11.902 -13.746 1.00 12.12 C ATOM 168 O LEU A 10 -6.725 12.885 -14.481 1.00 34.53 O ATOM 169 CB LEU A 10 -5.110 12.227 -11.780 1.00 32.13 C ATOM 170 CG LEU A 10 -4.598 13.664 -11.682 1.00 45.24 C ATOM 171 CD1 LEU A 10 -4.999 14.459 -12.915 1.00 60.24 C ATOM 172 CD2 LEU A 10 -5.122 14.333 -10.420 1.00 52.34 C ATOM 0 H LEU A 10 -6.550 10.425 -10.919 1.00 20.22 H new ATOM 0 HA LEU A 10 -7.127 12.952 -11.954 1.00 3.10 H new ATOM 0 HB2 LEU A 10 -4.997 11.755 -10.804 1.00 32.13 H new ATOM 0 HB3 LEU A 10 -4.471 11.681 -12.474 1.00 32.13 H new ATOM 0 HG LEU A 10 -3.510 13.638 -11.630 1.00 45.24 H new ATOM 0 HD11 LEU A 10 -4.626 15.479 -12.827 1.00 60.24 H new ATOM 0 HD12 LEU A 10 -4.573 13.992 -13.803 1.00 60.24 H new ATOM 0 HD13 LEU A 10 -6.086 14.476 -12.999 1.00 60.24 H new ATOM 0 HD21 LEU A 10 -4.747 15.355 -10.367 1.00 52.34 H new ATOM 0 HD22 LEU A 10 -6.212 14.347 -10.441 1.00 52.34 H new ATOM 0 HD23 LEU A 10 -4.783 13.777 -9.546 1.00 52.34 H new ATOM 184 N LYS A 11 -6.558 10.658 -14.208 1.00 35.11 N ATOM 185 CA LYS A 11 -6.609 10.368 -15.636 1.00 4.10 C ATOM 186 C LYS A 11 -8.020 9.976 -16.062 1.00 44.14 C ATOM 187 O LYS A 11 -8.336 9.960 -17.251 1.00 63.45 O ATOM 188 CB LYS A 11 -5.629 9.245 -15.984 1.00 43.41 C ATOM 189 CG LYS A 11 -4.772 9.542 -17.203 1.00 31.21 C ATOM 190 CD LYS A 11 -4.096 10.898 -17.093 1.00 12.21 C ATOM 191 CE LYS A 11 -3.411 11.072 -15.746 1.00 14.11 C ATOM 192 NZ LYS A 11 -2.784 12.416 -15.612 1.00 64.22 N ATOM 0 H LYS A 11 -6.471 9.834 -13.614 1.00 35.11 H new ATOM 0 HA LYS A 11 -6.324 11.271 -16.175 1.00 4.10 H new ATOM 0 HB2 LYS A 11 -4.979 9.064 -15.128 1.00 43.41 H new ATOM 0 HB3 LYS A 11 -6.189 8.326 -16.159 1.00 43.41 H new ATOM 0 HG2 LYS A 11 -4.015 8.765 -17.315 1.00 31.21 H new ATOM 0 HG3 LYS A 11 -5.391 9.515 -18.100 1.00 31.21 H new ATOM 0 HD2 LYS A 11 -3.362 11.006 -17.892 1.00 12.21 H new ATOM 0 HD3 LYS A 11 -4.836 11.687 -17.231 1.00 12.21 H new ATOM 0 HE2 LYS A 11 -4.139 10.930 -14.947 1.00 14.11 H new ATOM 0 HE3 LYS A 11 -2.649 10.302 -15.624 1.00 14.11 H new ATOM 0 HZ1 LYS A 11 -1.753 12.311 -15.526 1.00 64.22 H new ATOM 0 HZ2 LYS A 11 -3.005 12.988 -16.452 1.00 64.22 H new ATOM 0 HZ3 LYS A 11 -3.155 12.889 -14.764 1.00 64.22 H new ATOM 206 N GLU A 12 -8.863 9.663 -15.084 1.00 33.20 N ATOM 207 CA GLU A 12 -10.241 9.272 -15.360 1.00 23.21 C ATOM 208 C GLU A 12 -10.880 10.212 -16.378 1.00 64.11 C ATOM 209 O GLU A 12 -11.761 9.814 -17.140 1.00 42.24 O ATOM 210 CB GLU A 12 -11.061 9.267 -14.068 1.00 54.25 C ATOM 211 CG GLU A 12 -11.669 10.618 -13.729 1.00 33.32 C ATOM 212 CD GLU A 12 -13.081 10.772 -14.259 1.00 75.21 C ATOM 213 OE1 GLU A 12 -13.946 9.947 -13.895 1.00 42.42 O ATOM 214 OE2 GLU A 12 -13.322 11.718 -15.038 1.00 61.24 O ATOM 0 H GLU A 12 -8.617 9.672 -14.094 1.00 33.20 H new ATOM 0 HA GLU A 12 -10.230 8.266 -15.779 1.00 23.21 H new ATOM 0 HB2 GLU A 12 -11.860 8.530 -14.157 1.00 54.25 H new ATOM 0 HB3 GLU A 12 -10.423 8.948 -13.244 1.00 54.25 H new ATOM 0 HG2 GLU A 12 -11.675 10.748 -12.647 1.00 33.32 H new ATOM 0 HG3 GLU A 12 -11.042 11.408 -14.142 1.00 33.32 H new ATOM 221 N LYS A 13 -10.429 11.462 -16.384 1.00 72.13 N ATOM 222 CA LYS A 13 -10.954 12.460 -17.308 1.00 15.41 C ATOM 223 C LYS A 13 -10.630 12.090 -18.752 1.00 4.54 C ATOM 224 O LYS A 13 -11.443 12.297 -19.653 1.00 22.32 O ATOM 225 CB LYS A 13 -10.378 13.840 -16.982 1.00 12.13 C ATOM 226 CG LYS A 13 -8.885 13.952 -17.239 1.00 55.12 C ATOM 227 CD LYS A 13 -8.202 14.815 -16.192 1.00 11.12 C ATOM 228 CE LYS A 13 -6.718 14.974 -16.483 1.00 4.04 C ATOM 229 NZ LYS A 13 -6.047 15.849 -15.481 1.00 62.34 N ATOM 0 H LYS A 13 -9.701 11.808 -15.759 1.00 72.13 H new ATOM 0 HA LYS A 13 -12.038 12.489 -17.194 1.00 15.41 H new ATOM 0 HB2 LYS A 13 -10.898 14.591 -17.577 1.00 12.13 H new ATOM 0 HB3 LYS A 13 -10.576 14.069 -15.935 1.00 12.13 H new ATOM 0 HG2 LYS A 13 -8.439 12.957 -17.239 1.00 55.12 H new ATOM 0 HG3 LYS A 13 -8.716 14.377 -18.228 1.00 55.12 H new ATOM 0 HD2 LYS A 13 -8.675 15.796 -16.163 1.00 11.12 H new ATOM 0 HD3 LYS A 13 -8.335 14.368 -15.207 1.00 11.12 H new ATOM 0 HE2 LYS A 13 -6.241 13.994 -16.486 1.00 4.04 H new ATOM 0 HE3 LYS A 13 -6.586 15.396 -17.479 1.00 4.04 H new ATOM 0 HZ1 LYS A 13 -5.075 15.514 -15.324 1.00 62.34 H new ATOM 0 HZ2 LYS A 13 -6.024 16.827 -15.834 1.00 62.34 H new ATOM 0 HZ3 LYS A 13 -6.573 15.817 -14.585 1.00 62.34 H new ATOM 243 N ILE A 14 -9.438 11.542 -18.963 1.00 42.42 N ATOM 244 CA ILE A 14 -9.008 11.142 -20.297 1.00 22.40 C ATOM 245 C ILE A 14 -9.848 9.982 -20.820 1.00 73.22 C ATOM 246 O ILE A 14 -10.284 9.988 -21.971 1.00 2.20 O ATOM 247 CB ILE A 14 -7.523 10.732 -20.311 1.00 12.24 C ATOM 248 CG1 ILE A 14 -6.714 11.635 -19.377 1.00 71.11 C ATOM 249 CG2 ILE A 14 -6.970 10.793 -21.726 1.00 41.35 C ATOM 250 CD1 ILE A 14 -6.980 13.110 -19.583 1.00 22.23 C ATOM 0 H ILE A 14 -8.753 11.365 -18.228 1.00 42.42 H new ATOM 0 HA ILE A 14 -9.144 12.008 -20.945 1.00 22.40 H new ATOM 0 HB ILE A 14 -7.441 9.705 -19.954 1.00 12.24 H new ATOM 0 HG12 ILE A 14 -6.943 11.374 -18.344 1.00 71.11 H new ATOM 0 HG13 ILE A 14 -5.652 11.441 -19.527 1.00 71.11 H new ATOM 0 HG21 ILE A 14 -5.920 10.501 -21.719 1.00 41.35 H new ATOM 0 HG22 ILE A 14 -7.532 10.113 -22.366 1.00 41.35 H new ATOM 0 HG23 ILE A 14 -7.061 11.810 -22.109 1.00 41.35 H new ATOM 0 HD11 ILE A 14 -6.373 13.690 -18.888 1.00 22.23 H new ATOM 0 HD12 ILE A 14 -6.724 13.386 -20.606 1.00 22.23 H new ATOM 0 HD13 ILE A 14 -8.035 13.318 -19.404 1.00 22.23 H new ATOM 262 N GLU A 15 -10.073 8.988 -19.966 1.00 13.42 N ATOM 263 CA GLU A 15 -10.863 7.822 -20.342 1.00 70.15 C ATOM 264 C GLU A 15 -12.304 8.217 -20.650 1.00 54.14 C ATOM 265 O GLU A 15 -13.077 7.421 -21.182 1.00 35.31 O ATOM 266 CB GLU A 15 -10.837 6.778 -19.224 1.00 63.12 C ATOM 267 CG GLU A 15 -12.038 6.850 -18.296 1.00 64.31 C ATOM 268 CD GLU A 15 -11.744 6.290 -16.918 1.00 2.13 C ATOM 269 OE1 GLU A 15 -10.669 5.678 -16.743 1.00 74.34 O ATOM 270 OE2 GLU A 15 -12.588 6.464 -16.014 1.00 4.11 O ATOM 0 H GLU A 15 -9.719 8.967 -19.010 1.00 13.42 H new ATOM 0 HA GLU A 15 -10.422 7.392 -21.241 1.00 70.15 H new ATOM 0 HB2 GLU A 15 -10.791 5.784 -19.668 1.00 63.12 H new ATOM 0 HB3 GLU A 15 -9.927 6.908 -18.638 1.00 63.12 H new ATOM 0 HG2 GLU A 15 -12.358 7.888 -18.202 1.00 64.31 H new ATOM 0 HG3 GLU A 15 -12.868 6.299 -18.739 1.00 64.31 H new ATOM 277 N ALA A 16 -12.658 9.453 -20.312 1.00 33.42 N ATOM 278 CA ALA A 16 -14.005 9.955 -20.553 1.00 33.31 C ATOM 279 C ALA A 16 -14.026 10.931 -21.724 1.00 62.12 C ATOM 280 O ALA A 16 -14.772 10.747 -22.685 1.00 0.41 O ATOM 281 CB ALA A 16 -14.553 10.620 -19.299 1.00 2.20 C ATOM 0 H ALA A 16 -12.030 10.125 -19.870 1.00 33.42 H new ATOM 0 HA ALA A 16 -14.641 9.108 -20.809 1.00 33.31 H new ATOM 0 HB1 ALA A 16 -15.560 10.990 -19.494 1.00 2.20 H new ATOM 0 HB2 ALA A 16 -14.584 9.894 -18.486 1.00 2.20 H new ATOM 0 HB3 ALA A 16 -13.908 11.453 -19.017 1.00 2.20 H new ATOM 287 N GLY A 17 -13.201 11.970 -21.637 1.00 52.40 N ATOM 288 CA GLY A 17 -13.141 12.961 -22.696 1.00 74.32 C ATOM 289 C GLY A 17 -12.326 14.178 -22.307 1.00 22.43 C ATOM 290 O GLY A 17 -12.875 15.182 -21.854 1.00 42.21 O ATOM 0 H GLY A 17 -12.573 12.143 -20.852 1.00 52.40 H new ATOM 0 HA2 GLY A 17 -12.709 12.508 -23.588 1.00 74.32 H new ATOM 0 HA3 GLY A 17 -14.153 13.273 -22.955 1.00 74.32 H new ATOM 294 N ARG A 18 -11.011 14.088 -22.481 1.00 74.52 N ATOM 295 CA ARG A 18 -10.118 15.189 -22.142 1.00 34.10 C ATOM 296 C ARG A 18 -8.799 15.072 -22.899 1.00 62.12 C ATOM 297 O ARG A 18 -8.554 15.803 -23.858 1.00 14.43 O ATOM 298 CB ARG A 18 -9.854 15.213 -20.635 1.00 43.44 C ATOM 299 CG ARG A 18 -10.927 15.938 -19.840 1.00 51.52 C ATOM 300 CD ARG A 18 -10.320 16.831 -18.770 1.00 5.35 C ATOM 301 NE ARG A 18 -10.419 18.247 -19.116 1.00 33.43 N ATOM 302 CZ ARG A 18 -9.824 19.215 -18.429 1.00 23.14 C ATOM 303 NH1 ARG A 18 -9.089 18.922 -17.364 1.00 73.03 N ATOM 304 NH2 ARG A 18 -9.962 20.479 -18.806 1.00 42.51 N ATOM 0 H ARG A 18 -10.541 13.264 -22.855 1.00 74.52 H new ATOM 0 HA ARG A 18 -10.603 16.121 -22.434 1.00 34.10 H new ATOM 0 HB2 ARG A 18 -9.775 14.188 -20.272 1.00 43.44 H new ATOM 0 HB3 ARG A 18 -8.892 15.691 -20.451 1.00 43.44 H new ATOM 0 HG2 ARG A 18 -11.537 16.539 -20.514 1.00 51.52 H new ATOM 0 HG3 ARG A 18 -11.591 15.210 -19.374 1.00 51.52 H new ATOM 0 HD2 ARG A 18 -10.826 16.654 -17.821 1.00 5.35 H new ATOM 0 HD3 ARG A 18 -9.273 16.565 -18.628 1.00 5.35 H new ATOM 0 HE ARG A 18 -10.976 18.506 -19.930 1.00 33.43 H new ATOM 0 HH11 ARG A 18 -8.980 17.951 -17.071 1.00 73.03 H new ATOM 0 HH12 ARG A 18 -8.633 19.668 -16.838 1.00 73.03 H new ATOM 0 HH21 ARG A 18 -10.526 20.708 -19.625 1.00 42.51 H new ATOM 0 HH22 ARG A 18 -9.504 21.222 -18.277 1.00 42.51 H new ATOM 318 N GLY A 19 -7.951 14.146 -22.461 1.00 43.30 N ATOM 319 CA GLY A 19 -6.667 13.951 -23.108 1.00 65.11 C ATOM 320 C GLY A 19 -5.734 15.130 -22.914 1.00 20.05 C ATOM 321 O GLY A 19 -6.073 16.262 -23.257 1.00 50.52 O ATOM 0 H GLY A 19 -8.131 13.528 -21.670 1.00 43.30 H new ATOM 0 HA2 GLY A 19 -6.197 13.051 -22.712 1.00 65.11 H new ATOM 0 HA3 GLY A 19 -6.822 13.786 -24.174 1.00 65.11 H new ATOM 325 N VAL A 20 -4.555 14.865 -22.359 1.00 13.01 N ATOM 326 CA VAL A 20 -3.571 15.913 -22.118 1.00 43.23 C ATOM 327 C VAL A 20 -3.041 16.481 -23.430 1.00 51.31 C ATOM 328 O VAL A 20 -3.204 17.663 -23.734 1.00 40.22 O ATOM 329 CB VAL A 20 -2.387 15.390 -21.283 1.00 11.21 C ATOM 330 CG1 VAL A 20 -1.120 16.167 -21.607 1.00 70.23 C ATOM 331 CG2 VAL A 20 -2.707 15.471 -19.798 1.00 5.41 C ATOM 0 H VAL A 20 -4.259 13.933 -22.068 1.00 13.01 H new ATOM 0 HA VAL A 20 -4.078 16.702 -21.562 1.00 43.23 H new ATOM 0 HB VAL A 20 -2.218 14.344 -21.539 1.00 11.21 H new ATOM 0 HG11 VAL A 20 -0.295 15.783 -21.007 1.00 70.23 H new ATOM 0 HG12 VAL A 20 -0.884 16.053 -22.665 1.00 70.23 H new ATOM 0 HG13 VAL A 20 -1.273 17.222 -21.381 1.00 70.23 H new ATOM 0 HG21 VAL A 20 -1.860 15.098 -19.222 1.00 5.41 H new ATOM 0 HG22 VAL A 20 -2.903 16.508 -19.524 1.00 5.41 H new ATOM 0 HG23 VAL A 20 -3.587 14.866 -19.582 1.00 5.41 H new ATOM 341 N PRO A 21 -2.391 15.621 -24.228 1.00 74.10 N ATOM 342 CA PRO A 21 -1.825 16.014 -25.522 1.00 11.24 C ATOM 343 C PRO A 21 -2.902 16.315 -26.559 1.00 21.14 C ATOM 344 O PRO A 21 -2.900 17.377 -27.179 1.00 43.20 O ATOM 345 CB PRO A 21 -1.009 14.788 -25.939 1.00 5.53 C ATOM 346 CG PRO A 21 -1.653 13.646 -25.233 1.00 21.14 C ATOM 347 CD PRO A 21 -2.160 14.198 -23.929 1.00 73.31 C ATOM 0 HA PRO A 21 -1.238 16.929 -25.449 1.00 11.24 H new ATOM 0 HB2 PRO A 21 -1.030 14.648 -27.020 1.00 5.53 H new ATOM 0 HB3 PRO A 21 0.037 14.892 -25.651 1.00 5.53 H new ATOM 0 HG2 PRO A 21 -2.469 13.231 -25.825 1.00 21.14 H new ATOM 0 HG3 PRO A 21 -0.940 12.839 -25.064 1.00 21.14 H new ATOM 0 HD2 PRO A 21 -3.076 13.700 -23.611 1.00 73.31 H new ATOM 0 HD3 PRO A 21 -1.432 14.069 -23.128 1.00 73.31 H new ATOM 355 N ASN A 22 -3.821 15.372 -26.741 1.00 12.52 N ATOM 356 CA ASN A 22 -4.904 15.537 -27.703 1.00 54.32 C ATOM 357 C ASN A 22 -4.420 16.278 -28.946 1.00 61.20 C ATOM 358 O ASN A 22 -4.509 17.502 -29.026 1.00 3.21 O ATOM 359 CB ASN A 22 -6.070 16.296 -27.066 1.00 0.13 C ATOM 360 CG ASN A 22 -5.670 17.682 -26.597 1.00 74.01 C ATOM 361 OD1 ASN A 22 -5.148 17.767 -25.379 1.00 5.31 O flip ATOM 362 ND2 ASN A 22 -5.830 18.664 -27.322 1.00 62.23 N flip ATOM 0 H ASN A 22 -3.837 14.486 -26.235 1.00 12.52 H new ATOM 0 HA ASN A 22 -5.244 14.545 -28.002 1.00 54.32 H new ATOM 0 HB2 ASN A 22 -6.883 16.380 -27.787 1.00 0.13 H new ATOM 0 HB3 ASN A 22 -6.453 15.725 -26.220 1.00 0.13 H new ATOM 0 HD21 ASN A 22 -6.235 18.551 -28.251 1.00 62.23 H new ATOM 0 HD22 ASN A 22 -5.557 19.590 -26.993 1.00 62.23 H new ATOM 369 N GLY A 23 -3.907 15.525 -29.915 1.00 13.02 N ATOM 370 CA GLY A 23 -3.417 16.127 -31.141 1.00 22.30 C ATOM 371 C GLY A 23 -2.104 15.522 -31.599 1.00 13.23 C ATOM 372 O GLY A 23 -1.272 16.207 -32.194 1.00 10.31 O ATOM 0 H GLY A 23 -3.822 14.509 -29.872 1.00 13.02 H new ATOM 0 HA2 GLY A 23 -4.163 16.005 -31.926 1.00 22.30 H new ATOM 0 HA3 GLY A 23 -3.287 17.198 -30.989 1.00 22.30 H new ATOM 376 N ILE A 24 -1.918 14.237 -31.320 1.00 24.44 N ATOM 377 CA ILE A 24 -0.697 13.541 -31.706 1.00 64.15 C ATOM 378 C ILE A 24 -0.986 12.093 -32.088 1.00 52.33 C ATOM 379 O ILE A 24 -2.041 11.542 -31.775 1.00 74.22 O ATOM 380 CB ILE A 24 0.347 13.562 -30.574 1.00 13.43 C ATOM 381 CG1 ILE A 24 -0.349 13.585 -29.211 1.00 24.41 C ATOM 382 CG2 ILE A 24 1.267 14.764 -30.724 1.00 44.13 C ATOM 383 CD1 ILE A 24 0.461 12.937 -28.109 1.00 51.50 C ATOM 0 H ILE A 24 -2.597 13.656 -30.828 1.00 24.44 H new ATOM 0 HA ILE A 24 -0.294 14.069 -32.570 1.00 64.15 H new ATOM 0 HB ILE A 24 0.951 12.657 -30.639 1.00 13.43 H new ATOM 0 HG12 ILE A 24 -0.559 14.619 -28.937 1.00 24.41 H new ATOM 0 HG13 ILE A 24 -1.309 13.075 -29.293 1.00 24.41 H new ATOM 0 HG21 ILE A 24 1.999 14.765 -29.917 1.00 44.13 H new ATOM 0 HG22 ILE A 24 1.784 14.709 -31.682 1.00 44.13 H new ATOM 0 HG23 ILE A 24 0.678 15.680 -30.681 1.00 44.13 H new ATOM 0 HD11 ILE A 24 -0.093 12.989 -27.172 1.00 51.50 H new ATOM 0 HD12 ILE A 24 0.649 11.894 -28.361 1.00 51.50 H new ATOM 0 HD13 ILE A 24 1.411 13.461 -27.999 1.00 51.50 H new ATOM 395 N PRO A 25 -0.027 11.461 -32.780 1.00 61.41 N ATOM 396 CA PRO A 25 -0.154 10.067 -33.218 1.00 15.42 C ATOM 397 C PRO A 25 -0.098 9.086 -32.052 1.00 44.01 C ATOM 398 O PRO A 25 0.025 7.878 -32.251 1.00 74.21 O ATOM 399 CB PRO A 25 1.052 9.873 -34.140 1.00 10.24 C ATOM 400 CG PRO A 25 2.051 10.875 -33.673 1.00 13.24 C ATOM 401 CD PRO A 25 1.257 12.056 -33.188 1.00 15.52 C ATOM 0 HA PRO A 25 -1.112 9.877 -33.702 1.00 15.42 H new ATOM 0 HB2 PRO A 25 1.445 8.859 -34.069 1.00 10.24 H new ATOM 0 HB3 PRO A 25 0.783 10.038 -35.183 1.00 10.24 H new ATOM 0 HG2 PRO A 25 2.670 10.466 -32.874 1.00 13.24 H new ATOM 0 HG3 PRO A 25 2.723 11.162 -34.482 1.00 13.24 H new ATOM 0 HD2 PRO A 25 1.750 12.557 -32.355 1.00 15.52 H new ATOM 0 HD3 PRO A 25 1.123 12.800 -33.973 1.00 15.52 H new ATOM 409 N ALA A 26 -0.187 9.614 -30.836 1.00 33.44 N ATOM 410 CA ALA A 26 -0.149 8.783 -29.638 1.00 44.31 C ATOM 411 C ALA A 26 -1.237 7.716 -29.674 1.00 53.25 C ATOM 412 O ALA A 26 -1.144 6.699 -28.989 1.00 34.15 O ATOM 413 CB ALA A 26 -0.293 9.646 -28.393 1.00 74.30 C ATOM 0 H ALA A 26 -0.286 10.613 -30.654 1.00 33.44 H new ATOM 0 HA ALA A 26 0.816 8.278 -29.607 1.00 44.31 H new ATOM 0 HB1 ALA A 26 -0.263 9.013 -27.506 1.00 74.30 H new ATOM 0 HB2 ALA A 26 0.524 10.366 -28.353 1.00 74.30 H new ATOM 0 HB3 ALA A 26 -1.244 10.178 -28.427 1.00 74.30 H new ATOM 419 N GLU A 27 -2.268 7.956 -30.479 1.00 14.45 N ATOM 420 CA GLU A 27 -3.375 7.015 -30.602 1.00 14.31 C ATOM 421 C GLU A 27 -2.871 5.630 -30.995 1.00 44.03 C ATOM 422 O GLU A 27 -3.393 4.614 -30.537 1.00 21.14 O ATOM 423 CB GLU A 27 -4.386 7.515 -31.637 1.00 23.13 C ATOM 424 CG GLU A 27 -3.751 7.947 -32.948 1.00 20.21 C ATOM 425 CD GLU A 27 -4.048 9.394 -33.291 1.00 61.41 C ATOM 426 OE1 GLU A 27 -4.188 10.208 -32.355 1.00 11.13 O ATOM 427 OE2 GLU A 27 -4.140 9.711 -34.495 1.00 53.51 O ATOM 0 H GLU A 27 -2.359 8.793 -31.055 1.00 14.45 H new ATOM 0 HA GLU A 27 -3.865 6.942 -29.631 1.00 14.31 H new ATOM 0 HB2 GLU A 27 -5.110 6.725 -31.837 1.00 23.13 H new ATOM 0 HB3 GLU A 27 -4.939 8.355 -31.216 1.00 23.13 H new ATOM 0 HG2 GLU A 27 -2.672 7.806 -32.889 1.00 20.21 H new ATOM 0 HG3 GLU A 27 -4.113 7.305 -33.751 1.00 20.21 H new ATOM 434 N ASP A 28 -1.852 5.598 -31.848 1.00 14.20 N ATOM 435 CA ASP A 28 -1.276 4.339 -32.304 1.00 22.33 C ATOM 436 C ASP A 28 -0.497 3.660 -31.181 1.00 42.13 C ATOM 437 O ASP A 28 -0.339 2.439 -31.172 1.00 1.32 O ATOM 438 CB ASP A 28 -0.360 4.578 -33.505 1.00 22.50 C ATOM 439 CG ASP A 28 -0.893 5.649 -34.435 1.00 42.33 C ATOM 440 OD1 ASP A 28 -2.054 5.527 -34.878 1.00 21.44 O ATOM 441 OD2 ASP A 28 -0.148 6.611 -34.722 1.00 34.41 O ATOM 0 H ASP A 28 -1.408 6.430 -32.237 1.00 14.20 H new ATOM 0 HA ASP A 28 -2.092 3.682 -32.605 1.00 22.33 H new ATOM 0 HB2 ASP A 28 0.630 4.867 -33.152 1.00 22.50 H new ATOM 0 HB3 ASP A 28 -0.241 3.647 -34.059 1.00 22.50 H new ATOM 446 N SER A 29 -0.011 4.460 -30.237 1.00 70.03 N ATOM 447 CA SER A 29 0.756 3.937 -29.113 1.00 0.33 C ATOM 448 C SER A 29 -0.169 3.357 -28.047 1.00 0.41 C ATOM 449 O SER A 29 0.096 2.290 -27.495 1.00 11.11 O ATOM 450 CB SER A 29 1.625 5.040 -28.505 1.00 24.43 C ATOM 451 OG SER A 29 1.883 6.065 -29.449 1.00 21.35 O ATOM 0 H SER A 29 -0.135 5.472 -30.229 1.00 70.03 H new ATOM 0 HA SER A 29 1.400 3.139 -29.484 1.00 0.33 H new ATOM 0 HB2 SER A 29 1.125 5.462 -27.633 1.00 24.43 H new ATOM 0 HB3 SER A 29 2.567 4.615 -28.158 1.00 24.43 H new ATOM 0 HG SER A 29 2.439 6.758 -29.035 1.00 21.35 H new ATOM 457 N GLU A 30 -1.255 4.070 -27.764 1.00 31.22 N ATOM 458 CA GLU A 30 -2.219 3.627 -26.764 1.00 32.54 C ATOM 459 C GLU A 30 -2.845 2.294 -27.165 1.00 34.04 C ATOM 460 O GLU A 30 -3.260 1.510 -26.311 1.00 53.51 O ATOM 461 CB GLU A 30 -3.313 4.680 -26.575 1.00 4.11 C ATOM 462 CG GLU A 30 -4.535 4.452 -27.448 1.00 31.32 C ATOM 463 CD GLU A 30 -5.560 5.561 -27.318 1.00 13.40 C ATOM 464 OE1 GLU A 30 -5.159 6.744 -27.314 1.00 65.44 O ATOM 465 OE2 GLU A 30 -6.765 5.247 -27.220 1.00 70.22 O ATOM 0 H GLU A 30 -1.489 4.956 -28.213 1.00 31.22 H new ATOM 0 HA GLU A 30 -1.689 3.491 -25.821 1.00 32.54 H new ATOM 0 HB2 GLU A 30 -3.621 4.688 -25.529 1.00 4.11 H new ATOM 0 HB3 GLU A 30 -2.899 5.665 -26.794 1.00 4.11 H new ATOM 0 HG2 GLU A 30 -4.223 4.371 -28.489 1.00 31.32 H new ATOM 0 HG3 GLU A 30 -4.997 3.502 -27.179 1.00 31.32 H new ATOM 472 N GLN A 31 -2.910 2.046 -28.469 1.00 20.23 N ATOM 473 CA GLN A 31 -3.487 0.809 -28.983 1.00 4.21 C ATOM 474 C GLN A 31 -2.832 -0.407 -28.336 1.00 13.13 C ATOM 475 O GLN A 31 -3.508 -1.374 -27.982 1.00 70.11 O ATOM 476 CB GLN A 31 -3.327 0.741 -30.503 1.00 31.43 C ATOM 477 CG GLN A 31 -3.441 -0.668 -31.063 1.00 41.34 C ATOM 478 CD GLN A 31 -4.125 -0.704 -32.416 1.00 34.04 C ATOM 479 OE1 GLN A 31 -5.058 0.058 -32.673 1.00 43.10 O ATOM 480 NE2 GLN A 31 -3.665 -1.592 -33.289 1.00 31.32 N ATOM 0 H GLN A 31 -2.571 2.684 -29.188 1.00 20.23 H new ATOM 0 HA GLN A 31 -4.548 0.802 -28.735 1.00 4.21 H new ATOM 0 HB2 GLN A 31 -4.085 1.371 -30.969 1.00 31.43 H new ATOM 0 HB3 GLN A 31 -2.357 1.155 -30.777 1.00 31.43 H new ATOM 0 HG2 GLN A 31 -2.445 -1.101 -31.152 1.00 41.34 H new ATOM 0 HG3 GLN A 31 -3.998 -1.290 -30.362 1.00 41.34 H new ATOM 0 HE21 GLN A 31 -2.890 -2.204 -33.034 1.00 31.32 H new ATOM 0 HE22 GLN A 31 -4.087 -1.663 -34.215 1.00 31.32 H new ATOM 489 N LEU A 32 -1.514 -0.352 -28.184 1.00 23.13 N ATOM 490 CA LEU A 32 -0.767 -1.450 -27.579 1.00 0.31 C ATOM 491 C LEU A 32 -0.729 -1.311 -26.060 1.00 50.24 C ATOM 492 O LEU A 32 -0.788 -2.303 -25.335 1.00 20.11 O ATOM 493 CB LEU A 32 0.658 -1.491 -28.134 1.00 54.55 C ATOM 494 CG LEU A 32 0.801 -1.973 -29.578 1.00 65.42 C ATOM 495 CD1 LEU A 32 1.473 -0.910 -30.432 1.00 44.34 C ATOM 496 CD2 LEU A 32 1.587 -3.276 -29.629 1.00 41.31 C ATOM 0 H LEU A 32 -0.940 0.441 -28.471 1.00 23.13 H new ATOM 0 HA LEU A 32 -1.274 -2.382 -27.828 1.00 0.31 H new ATOM 0 HB2 LEU A 32 1.084 -0.490 -28.062 1.00 54.55 H new ATOM 0 HB3 LEU A 32 1.257 -2.139 -27.494 1.00 54.55 H new ATOM 0 HG LEU A 32 -0.195 -2.156 -29.980 1.00 65.42 H new ATOM 0 HD11 LEU A 32 1.566 -1.271 -31.456 1.00 44.34 H new ATOM 0 HD12 LEU A 32 0.872 -0.001 -30.421 1.00 44.34 H new ATOM 0 HD13 LEU A 32 2.464 -0.695 -30.032 1.00 44.34 H new ATOM 0 HD21 LEU A 32 1.679 -3.605 -30.664 1.00 41.31 H new ATOM 0 HD22 LEU A 32 2.580 -3.119 -29.208 1.00 41.31 H new ATOM 0 HD23 LEU A 32 1.065 -4.039 -29.051 1.00 41.31 H new ATOM 508 N ALA A 33 -0.632 -0.073 -25.587 1.00 12.12 N ATOM 509 CA ALA A 33 -0.591 0.196 -24.155 1.00 0.22 C ATOM 510 C ALA A 33 -1.847 -0.321 -23.463 1.00 33.44 C ATOM 511 O ALA A 33 -1.777 -0.898 -22.377 1.00 42.41 O ATOM 512 CB ALA A 33 -0.423 1.687 -23.903 1.00 13.25 C ATOM 0 H ALA A 33 -0.580 0.759 -26.174 1.00 12.12 H new ATOM 0 HA ALA A 33 0.266 -0.331 -23.736 1.00 0.22 H new ATOM 0 HB1 ALA A 33 -0.394 1.874 -22.829 1.00 13.25 H new ATOM 0 HB2 ALA A 33 0.507 2.030 -24.356 1.00 13.25 H new ATOM 0 HB3 ALA A 33 -1.262 2.227 -24.343 1.00 13.25 H new ATOM 518 N SER A 34 -2.996 -0.111 -24.097 1.00 72.52 N ATOM 519 CA SER A 34 -4.269 -0.553 -23.540 1.00 32.13 C ATOM 520 C SER A 34 -4.267 -2.061 -23.309 1.00 74.34 C ATOM 521 O SER A 34 -4.835 -2.552 -22.334 1.00 63.44 O ATOM 522 CB SER A 34 -5.419 -0.170 -24.473 1.00 13.42 C ATOM 523 OG SER A 34 -5.366 1.206 -24.809 1.00 14.13 O ATOM 0 H SER A 34 -3.072 0.363 -24.997 1.00 72.52 H new ATOM 0 HA SER A 34 -4.409 -0.056 -22.580 1.00 32.13 H new ATOM 0 HB2 SER A 34 -5.371 -0.771 -25.381 1.00 13.42 H new ATOM 0 HB3 SER A 34 -6.371 -0.394 -23.992 1.00 13.42 H new ATOM 0 HG SER A 34 -4.755 1.335 -25.565 1.00 14.13 H new ATOM 529 N GLY A 35 -3.624 -2.791 -24.216 1.00 35.42 N ATOM 530 CA GLY A 35 -3.560 -4.236 -24.095 1.00 33.13 C ATOM 531 C GLY A 35 -2.530 -4.688 -23.079 1.00 0.43 C ATOM 532 O GLY A 35 -2.663 -5.757 -22.484 1.00 53.21 O ATOM 0 H GLY A 35 -3.147 -2.408 -25.032 1.00 35.42 H new ATOM 0 HA2 GLY A 35 -4.540 -4.617 -23.808 1.00 33.13 H new ATOM 0 HA3 GLY A 35 -3.321 -4.669 -25.067 1.00 33.13 H new ATOM 536 N GLN A 36 -1.499 -3.872 -22.881 1.00 15.13 N ATOM 537 CA GLN A 36 -0.441 -4.195 -21.931 1.00 73.41 C ATOM 538 C GLN A 36 -0.843 -3.801 -20.514 1.00 4.24 C ATOM 539 O GLN A 36 -0.370 -4.386 -19.540 1.00 1.33 O ATOM 540 CB GLN A 36 0.857 -3.488 -22.322 1.00 3.32 C ATOM 541 CG GLN A 36 1.719 -4.287 -23.286 1.00 3.32 C ATOM 542 CD GLN A 36 2.069 -3.508 -24.539 1.00 20.23 C ATOM 543 OE1 GLN A 36 1.859 -3.981 -25.656 1.00 63.12 O ATOM 544 NE2 GLN A 36 2.605 -2.307 -24.359 1.00 44.21 N ATOM 0 H GLN A 36 -1.374 -2.983 -23.366 1.00 15.13 H new ATOM 0 HA GLN A 36 -0.281 -5.273 -21.956 1.00 73.41 H new ATOM 0 HB2 GLN A 36 0.615 -2.527 -22.775 1.00 3.32 H new ATOM 0 HB3 GLN A 36 1.433 -3.279 -21.420 1.00 3.32 H new ATOM 0 HG2 GLN A 36 2.637 -4.589 -22.782 1.00 3.32 H new ATOM 0 HG3 GLN A 36 1.194 -5.200 -23.565 1.00 3.32 H new ATOM 0 HE21 GLN A 36 2.761 -1.955 -23.415 1.00 44.21 H new ATOM 0 HE22 GLN A 36 2.861 -1.737 -25.165 1.00 44.21 H new ATOM 553 N GLU A 37 -1.717 -2.805 -20.407 1.00 20.23 N ATOM 554 CA GLU A 37 -2.180 -2.332 -19.107 1.00 73.54 C ATOM 555 C GLU A 37 -3.285 -3.233 -18.563 1.00 21.51 C ATOM 556 O GLU A 37 -3.747 -3.055 -17.436 1.00 52.05 O ATOM 557 CB GLU A 37 -2.688 -0.893 -19.215 1.00 2.01 C ATOM 558 CG GLU A 37 -3.825 -0.721 -20.208 1.00 31.14 C ATOM 559 CD GLU A 37 -5.162 -1.163 -19.645 1.00 72.12 C ATOM 560 OE1 GLU A 37 -5.274 -1.283 -18.407 1.00 41.30 O ATOM 561 OE2 GLU A 37 -6.096 -1.390 -20.442 1.00 52.44 O ATOM 0 H GLU A 37 -2.118 -2.310 -21.204 1.00 20.23 H new ATOM 0 HA GLU A 37 -1.337 -2.362 -18.416 1.00 73.54 H new ATOM 0 HB2 GLU A 37 -3.022 -0.560 -18.232 1.00 2.01 H new ATOM 0 HB3 GLU A 37 -1.861 -0.246 -19.507 1.00 2.01 H new ATOM 0 HG2 GLU A 37 -3.888 0.326 -20.505 1.00 31.14 H new ATOM 0 HG3 GLU A 37 -3.606 -1.295 -21.108 1.00 31.14 H new ATOM 568 N ALA A 38 -3.703 -4.201 -19.372 1.00 34.42 N ATOM 569 CA ALA A 38 -4.752 -5.131 -18.972 1.00 31.34 C ATOM 570 C ALA A 38 -4.451 -5.745 -17.608 1.00 40.15 C ATOM 571 O ALA A 38 -5.335 -6.299 -16.957 1.00 74.12 O ATOM 572 CB ALA A 38 -4.918 -6.223 -20.019 1.00 3.52 C ATOM 0 H ALA A 38 -3.331 -4.362 -20.308 1.00 34.42 H new ATOM 0 HA ALA A 38 -5.686 -4.574 -18.893 1.00 31.34 H new ATOM 0 HB1 ALA A 38 -5.705 -6.910 -19.707 1.00 3.52 H new ATOM 0 HB2 ALA A 38 -5.187 -5.773 -20.975 1.00 3.52 H new ATOM 0 HB3 ALA A 38 -3.981 -6.769 -20.127 1.00 3.52 H new ATOM 578 N GLY A 39 -3.195 -5.643 -17.183 1.00 15.54 N ATOM 579 CA GLY A 39 -2.800 -6.193 -15.899 1.00 52.13 C ATOM 580 C GLY A 39 -3.988 -6.631 -15.066 1.00 30.12 C ATOM 581 O GLY A 39 -4.779 -5.802 -14.616 1.00 52.23 O ATOM 0 H GLY A 39 -2.445 -5.190 -17.704 1.00 15.54 H new ATOM 0 HA2 GLY A 39 -2.139 -7.045 -16.060 1.00 52.13 H new ATOM 0 HA3 GLY A 39 -2.229 -5.446 -15.347 1.00 52.13 H new ATOM 585 N ASP A 40 -4.115 -7.937 -14.860 1.00 63.31 N ATOM 586 CA ASP A 40 -5.215 -8.485 -14.075 1.00 53.44 C ATOM 587 C ASP A 40 -5.291 -7.817 -12.706 1.00 52.41 C ATOM 588 O ASP A 40 -6.350 -7.372 -12.263 1.00 33.11 O ATOM 589 CB ASP A 40 -5.050 -9.996 -13.911 1.00 31.22 C ATOM 590 CG ASP A 40 -6.217 -10.773 -14.490 1.00 4.54 C ATOM 591 OD1 ASP A 40 -7.285 -10.807 -13.844 1.00 74.23 O ATOM 592 OD2 ASP A 40 -6.061 -11.345 -15.588 1.00 40.35 O ATOM 0 H ASP A 40 -3.469 -8.637 -15.226 1.00 63.31 H new ATOM 0 HA ASP A 40 -6.144 -8.285 -14.609 1.00 53.44 H new ATOM 0 HB2 ASP A 40 -4.128 -10.313 -14.399 1.00 31.22 H new ATOM 0 HB3 ASP A 40 -4.948 -10.235 -12.852 1.00 31.22 H new ATOM 597 N PRO A 41 -4.142 -7.744 -12.018 1.00 70.11 N ATOM 598 CA PRO A 41 -4.052 -7.133 -10.689 1.00 14.51 C ATOM 599 C PRO A 41 -4.235 -5.619 -10.734 1.00 20.34 C ATOM 600 O PRO A 41 -4.428 -5.039 -11.801 1.00 13.21 O ATOM 601 CB PRO A 41 -2.636 -7.487 -10.230 1.00 44.12 C ATOM 602 CG PRO A 41 -1.867 -7.684 -11.491 1.00 53.23 C ATOM 603 CD PRO A 41 -2.842 -8.253 -12.485 1.00 64.21 C ATOM 0 HA PRO A 41 -4.834 -7.494 -10.021 1.00 14.51 H new ATOM 0 HB2 PRO A 41 -2.205 -6.690 -9.624 1.00 44.12 H new ATOM 0 HB3 PRO A 41 -2.632 -8.389 -9.619 1.00 44.12 H new ATOM 0 HG2 PRO A 41 -1.452 -6.741 -11.847 1.00 53.23 H new ATOM 0 HG3 PRO A 41 -1.028 -8.362 -11.335 1.00 53.23 H new ATOM 0 HD2 PRO A 41 -2.621 -7.921 -13.499 1.00 64.21 H new ATOM 0 HD3 PRO A 41 -2.817 -9.343 -12.494 1.00 64.21 H new ATOM 611 N GLY A 42 -4.172 -4.985 -9.566 1.00 62.35 N ATOM 612 CA GLY A 42 -4.332 -3.545 -9.495 1.00 42.33 C ATOM 613 C GLY A 42 -3.225 -2.802 -10.217 1.00 1.00 C ATOM 614 O GLY A 42 -3.352 -1.611 -10.503 1.00 42.25 O ATOM 0 H GLY A 42 -4.013 -5.443 -8.669 1.00 62.35 H new ATOM 0 HA2 GLY A 42 -5.293 -3.268 -9.927 1.00 42.33 H new ATOM 0 HA3 GLY A 42 -4.351 -3.236 -8.450 1.00 42.33 H new ATOM 618 N CYS A 43 -2.137 -3.505 -10.510 1.00 43.11 N ATOM 619 CA CYS A 43 -1.001 -2.904 -11.201 1.00 12.32 C ATOM 620 C CYS A 43 -1.408 -2.406 -12.584 1.00 64.42 C ATOM 621 O CYS A 43 -0.616 -1.776 -13.287 1.00 21.15 O ATOM 622 CB CYS A 43 0.141 -3.914 -11.324 1.00 15.23 C ATOM 623 SG CYS A 43 0.168 -4.809 -12.894 1.00 63.14 S ATOM 0 H CYS A 43 -2.017 -4.491 -10.280 1.00 43.11 H new ATOM 0 HA CYS A 43 -0.660 -2.052 -10.614 1.00 12.32 H new ATOM 0 HB2 CYS A 43 1.089 -3.391 -11.200 1.00 15.23 H new ATOM 0 HB3 CYS A 43 0.065 -4.634 -10.509 1.00 15.23 H new ATOM 0 HG CYS A 43 1.170 -5.637 -12.904 1.00 63.14 H new ATOM 629 N LEU A 44 -2.645 -2.695 -12.971 1.00 13.03 N ATOM 630 CA LEU A 44 -3.157 -2.279 -14.272 1.00 13.53 C ATOM 631 C LEU A 44 -3.571 -0.810 -14.250 1.00 22.54 C ATOM 632 O LEU A 44 -3.447 -0.104 -15.250 1.00 71.14 O ATOM 633 CB LEU A 44 -4.348 -3.150 -14.676 1.00 10.42 C ATOM 634 CG LEU A 44 -5.538 -2.415 -15.293 1.00 53.33 C ATOM 635 CD1 LEU A 44 -6.323 -3.343 -16.207 1.00 35.24 C ATOM 636 CD2 LEU A 44 -6.438 -1.848 -14.205 1.00 11.12 C ATOM 0 H LEU A 44 -3.313 -3.216 -12.402 1.00 13.03 H new ATOM 0 HA LEU A 44 -2.360 -2.402 -15.005 1.00 13.53 H new ATOM 0 HB2 LEU A 44 -4.000 -3.899 -15.388 1.00 10.42 H new ATOM 0 HB3 LEU A 44 -4.696 -3.687 -13.793 1.00 10.42 H new ATOM 0 HG LEU A 44 -5.158 -1.586 -15.890 1.00 53.33 H new ATOM 0 HD11 LEU A 44 -7.166 -2.802 -16.637 1.00 35.24 H new ATOM 0 HD12 LEU A 44 -5.674 -3.700 -17.007 1.00 35.24 H new ATOM 0 HD13 LEU A 44 -6.692 -4.193 -15.633 1.00 35.24 H new ATOM 0 HD21 LEU A 44 -7.280 -1.328 -14.663 1.00 11.12 H new ATOM 0 HD22 LEU A 44 -6.810 -2.660 -13.580 1.00 11.12 H new ATOM 0 HD23 LEU A 44 -5.870 -1.149 -13.591 1.00 11.12 H new ATOM 648 N LYS A 45 -4.061 -0.356 -13.101 1.00 63.40 N ATOM 649 CA LYS A 45 -4.489 1.028 -12.946 1.00 15.52 C ATOM 650 C LYS A 45 -3.331 1.988 -13.199 1.00 13.33 C ATOM 651 O LYS A 45 -3.443 2.946 -13.964 1.00 13.42 O ATOM 652 CB LYS A 45 -5.056 1.254 -11.542 1.00 43.31 C ATOM 653 CG LYS A 45 -6.414 1.933 -11.536 1.00 54.23 C ATOM 654 CD LYS A 45 -7.541 0.925 -11.383 1.00 22.03 C ATOM 655 CE LYS A 45 -8.352 1.183 -10.122 1.00 2.00 C ATOM 656 NZ LYS A 45 -9.804 0.936 -10.337 1.00 35.34 N ATOM 0 H LYS A 45 -4.171 -0.928 -12.263 1.00 63.40 H new ATOM 0 HA LYS A 45 -5.268 1.225 -13.682 1.00 15.52 H new ATOM 0 HB2 LYS A 45 -5.137 0.293 -11.033 1.00 43.31 H new ATOM 0 HB3 LYS A 45 -4.354 1.860 -10.969 1.00 43.31 H new ATOM 0 HG2 LYS A 45 -6.457 2.655 -10.720 1.00 54.23 H new ATOM 0 HG3 LYS A 45 -6.547 2.491 -12.463 1.00 54.23 H new ATOM 0 HD2 LYS A 45 -8.195 0.974 -12.254 1.00 22.03 H new ATOM 0 HD3 LYS A 45 -7.127 -0.083 -11.351 1.00 22.03 H new ATOM 0 HE2 LYS A 45 -7.989 0.541 -9.319 1.00 2.00 H new ATOM 0 HE3 LYS A 45 -8.203 2.213 -9.799 1.00 2.00 H new ATOM 0 HZ1 LYS A 45 -10.354 1.455 -9.623 1.00 35.34 H new ATOM 0 HZ2 LYS A 45 -10.075 1.262 -11.287 1.00 35.34 H new ATOM 0 HZ3 LYS A 45 -9.999 -0.082 -10.251 1.00 35.34 H new ATOM 670 N PRO A 46 -2.191 1.727 -12.543 1.00 22.30 N ATOM 671 CA PRO A 46 -0.989 2.555 -12.683 1.00 15.13 C ATOM 672 C PRO A 46 -0.346 2.415 -14.058 1.00 3.31 C ATOM 673 O PRO A 46 0.340 3.324 -14.529 1.00 23.42 O ATOM 674 CB PRO A 46 -0.056 2.012 -11.598 1.00 12.34 C ATOM 675 CG PRO A 46 -0.500 0.606 -11.385 1.00 11.32 C ATOM 676 CD PRO A 46 -1.986 0.602 -11.615 1.00 71.21 C ATOM 0 HA PRO A 46 -1.211 3.617 -12.580 1.00 15.13 H new ATOM 0 HB2 PRO A 46 0.986 2.054 -11.915 1.00 12.34 H new ATOM 0 HB3 PRO A 46 -0.134 2.595 -10.680 1.00 12.34 H new ATOM 0 HG2 PRO A 46 0.004 -0.071 -12.075 1.00 11.32 H new ATOM 0 HG3 PRO A 46 -0.260 0.270 -10.376 1.00 11.32 H new ATOM 0 HD2 PRO A 46 -2.323 -0.341 -12.046 1.00 71.21 H new ATOM 0 HD3 PRO A 46 -2.537 0.743 -10.685 1.00 71.21 H new ATOM 684 N LEU A 47 -0.571 1.273 -14.698 1.00 2.31 N ATOM 685 CA LEU A 47 -0.013 1.015 -16.021 1.00 23.32 C ATOM 686 C LEU A 47 -0.935 1.545 -17.114 1.00 30.40 C ATOM 687 O LEU A 47 -0.490 1.860 -18.218 1.00 25.01 O ATOM 688 CB LEU A 47 0.217 -0.485 -16.215 1.00 24.14 C ATOM 689 CG LEU A 47 1.486 -0.877 -16.972 1.00 64.13 C ATOM 690 CD1 LEU A 47 1.482 -0.274 -18.368 1.00 43.23 C ATOM 691 CD2 LEU A 47 2.724 -0.438 -16.203 1.00 71.12 C ATOM 0 H LEU A 47 -1.136 0.511 -14.323 1.00 2.31 H new ATOM 0 HA LEU A 47 0.942 1.536 -16.093 1.00 23.32 H new ATOM 0 HB2 LEU A 47 0.243 -0.958 -15.233 1.00 24.14 H new ATOM 0 HB3 LEU A 47 -0.641 -0.898 -16.746 1.00 24.14 H new ATOM 0 HG LEU A 47 1.508 -1.963 -17.067 1.00 64.13 H new ATOM 0 HD11 LEU A 47 2.393 -0.564 -18.892 1.00 43.23 H new ATOM 0 HD12 LEU A 47 0.615 -0.638 -18.919 1.00 43.23 H new ATOM 0 HD13 LEU A 47 1.435 0.813 -18.295 1.00 43.23 H new ATOM 0 HD21 LEU A 47 3.618 -0.726 -16.757 1.00 71.12 H new ATOM 0 HD22 LEU A 47 2.709 0.644 -16.076 1.00 71.12 H new ATOM 0 HD23 LEU A 47 2.734 -0.918 -15.224 1.00 71.12 H new ATOM 703 N HIS A 48 -2.223 1.642 -16.799 1.00 2.11 N ATOM 704 CA HIS A 48 -3.208 2.137 -17.754 1.00 11.12 C ATOM 705 C HIS A 48 -3.284 3.660 -17.716 1.00 2.51 C ATOM 706 O HIS A 48 -3.376 4.312 -18.756 1.00 4.14 O ATOM 707 CB HIS A 48 -4.583 1.539 -17.456 1.00 33.11 C ATOM 708 CG HIS A 48 -5.561 1.696 -18.580 1.00 0.14 C ATOM 709 ND1 HIS A 48 -6.841 1.185 -18.540 1.00 51.14 N ATOM 710 CD2 HIS A 48 -5.440 2.313 -19.778 1.00 54.42 C ATOM 711 CE1 HIS A 48 -7.465 1.480 -19.667 1.00 31.30 C ATOM 712 NE2 HIS A 48 -6.637 2.165 -20.435 1.00 71.41 N ATOM 0 H HIS A 48 -2.609 1.385 -15.890 1.00 2.11 H new ATOM 0 HA HIS A 48 -2.895 1.831 -18.752 1.00 11.12 H new ATOM 0 HB2 HIS A 48 -4.468 0.479 -17.231 1.00 33.11 H new ATOM 0 HB3 HIS A 48 -4.990 2.012 -16.562 1.00 33.11 H new ATOM 0 HD2 HIS A 48 -4.565 2.826 -20.149 1.00 54.42 H new ATOM 0 HE1 HIS A 48 -8.480 1.207 -19.917 1.00 31.30 H new ATOM 0 HE2 HIS A 48 -6.852 2.525 -21.365 1.00 71.41 H new ATOM 720 N GLU A 49 -3.246 4.220 -16.511 1.00 4.43 N ATOM 721 CA GLU A 49 -3.312 5.667 -16.339 1.00 23.12 C ATOM 722 C GLU A 49 -2.215 6.361 -17.141 1.00 64.20 C ATOM 723 O GLU A 49 -2.454 7.378 -17.792 1.00 11.34 O ATOM 724 CB GLU A 49 -3.185 6.033 -14.859 1.00 15.15 C ATOM 725 CG GLU A 49 -2.010 5.366 -14.165 1.00 2.24 C ATOM 726 CD GLU A 49 -0.820 6.294 -14.012 1.00 21.42 C ATOM 727 OE1 GLU A 49 -0.665 7.203 -14.854 1.00 33.10 O ATOM 728 OE2 GLU A 49 -0.044 6.110 -13.051 1.00 44.42 O ATOM 0 H GLU A 49 -3.170 3.694 -15.640 1.00 4.43 H new ATOM 0 HA GLU A 49 -4.279 6.007 -16.709 1.00 23.12 H new ATOM 0 HB2 GLU A 49 -3.083 7.114 -14.768 1.00 15.15 H new ATOM 0 HB3 GLU A 49 -4.105 5.755 -14.345 1.00 15.15 H new ATOM 0 HG2 GLU A 49 -2.324 5.018 -13.181 1.00 2.24 H new ATOM 0 HG3 GLU A 49 -1.709 4.486 -14.733 1.00 2.24 H new ATOM 735 N LYS A 50 -1.010 5.803 -17.089 1.00 44.44 N ATOM 736 CA LYS A 50 0.126 6.366 -17.811 1.00 12.14 C ATOM 737 C LYS A 50 -0.188 6.504 -19.297 1.00 21.30 C ATOM 738 O LYS A 50 0.117 7.525 -19.914 1.00 25.35 O ATOM 739 CB LYS A 50 1.364 5.488 -17.619 1.00 62.41 C ATOM 740 CG LYS A 50 2.262 5.426 -18.843 1.00 15.10 C ATOM 741 CD LYS A 50 2.809 6.797 -19.203 1.00 15.32 C ATOM 742 CE LYS A 50 4.156 7.050 -18.545 1.00 24.01 C ATOM 743 NZ LYS A 50 4.282 8.452 -18.059 1.00 21.14 N ATOM 0 H LYS A 50 -0.795 4.961 -16.554 1.00 44.44 H new ATOM 0 HA LYS A 50 0.326 7.358 -17.407 1.00 12.14 H new ATOM 0 HB2 LYS A 50 1.940 5.867 -16.775 1.00 62.41 H new ATOM 0 HB3 LYS A 50 1.046 4.478 -17.360 1.00 62.41 H new ATOM 0 HG2 LYS A 50 3.089 4.741 -18.654 1.00 15.10 H new ATOM 0 HG3 LYS A 50 1.701 5.024 -19.687 1.00 15.10 H new ATOM 0 HD2 LYS A 50 2.911 6.876 -20.285 1.00 15.32 H new ATOM 0 HD3 LYS A 50 2.101 7.565 -18.892 1.00 15.32 H new ATOM 0 HE2 LYS A 50 4.286 6.363 -17.709 1.00 24.01 H new ATOM 0 HE3 LYS A 50 4.953 6.840 -19.258 1.00 24.01 H new ATOM 0 HZ1 LYS A 50 5.214 8.584 -17.617 1.00 21.14 H new ATOM 0 HZ2 LYS A 50 4.183 9.107 -18.860 1.00 21.14 H new ATOM 0 HZ3 LYS A 50 3.537 8.645 -17.360 1.00 21.14 H new ATOM 757 N ASP A 51 -0.800 5.471 -19.866 1.00 1.02 N ATOM 758 CA ASP A 51 -1.157 5.478 -21.280 1.00 14.04 C ATOM 759 C ASP A 51 -2.386 6.348 -21.525 1.00 73.00 C ATOM 760 O ASP A 51 -2.646 6.770 -22.652 1.00 65.41 O ATOM 761 CB ASP A 51 -1.420 4.053 -21.768 1.00 73.31 C ATOM 762 CG ASP A 51 -0.531 3.033 -21.085 1.00 4.12 C ATOM 763 OD1 ASP A 51 0.654 3.347 -20.842 1.00 32.41 O ATOM 764 OD2 ASP A 51 -1.019 1.922 -20.792 1.00 22.20 O ATOM 0 H ASP A 51 -1.059 4.618 -19.370 1.00 1.02 H new ATOM 0 HA ASP A 51 -0.320 5.896 -21.839 1.00 14.04 H new ATOM 0 HB2 ASP A 51 -2.464 3.798 -21.589 1.00 73.31 H new ATOM 0 HB3 ASP A 51 -1.261 4.006 -22.845 1.00 73.31 H new ATOM 769 N SER A 52 -3.140 6.612 -20.463 1.00 32.35 N ATOM 770 CA SER A 52 -4.345 7.427 -20.563 1.00 42.24 C ATOM 771 C SER A 52 -3.991 8.890 -20.817 1.00 32.50 C ATOM 772 O SER A 52 -4.616 9.556 -21.642 1.00 21.35 O ATOM 773 CB SER A 52 -5.177 7.306 -19.285 1.00 43.12 C ATOM 774 OG SER A 52 -5.912 6.095 -19.268 1.00 21.20 O ATOM 0 H SER A 52 -2.938 6.273 -19.523 1.00 32.35 H new ATOM 0 HA SER A 52 -4.932 7.061 -21.405 1.00 42.24 H new ATOM 0 HB2 SER A 52 -4.522 7.350 -18.415 1.00 43.12 H new ATOM 0 HB3 SER A 52 -5.861 8.151 -19.211 1.00 43.12 H new ATOM 0 HG SER A 52 -5.301 5.344 -19.116 1.00 21.20 H new ATOM 780 N GLU A 53 -2.985 9.381 -20.101 1.00 44.11 N ATOM 781 CA GLU A 53 -2.548 10.765 -20.248 1.00 31.33 C ATOM 782 C GLU A 53 -2.165 11.064 -21.694 1.00 60.12 C ATOM 783 O GLU A 53 -2.406 12.161 -22.197 1.00 40.31 O ATOM 784 CB GLU A 53 -1.361 11.049 -19.325 1.00 31.21 C ATOM 785 CG GLU A 53 -1.383 12.441 -18.717 1.00 4.13 C ATOM 786 CD GLU A 53 -0.488 12.559 -17.498 1.00 41.22 C ATOM 787 OE1 GLU A 53 0.229 11.583 -17.193 1.00 3.43 O ATOM 788 OE2 GLU A 53 -0.505 13.626 -16.850 1.00 42.42 O ATOM 0 H GLU A 53 -2.458 8.842 -19.414 1.00 44.11 H new ATOM 0 HA GLU A 53 -3.379 11.413 -19.969 1.00 31.33 H new ATOM 0 HB2 GLU A 53 -1.351 10.311 -18.523 1.00 31.21 H new ATOM 0 HB3 GLU A 53 -0.436 10.922 -19.887 1.00 31.21 H new ATOM 0 HG2 GLU A 53 -1.067 13.166 -19.467 1.00 4.13 H new ATOM 0 HG3 GLU A 53 -2.406 12.696 -18.438 1.00 4.13 H new ATOM 795 N SER A 54 -1.566 10.080 -22.357 1.00 71.23 N ATOM 796 CA SER A 54 -1.145 10.238 -23.744 1.00 51.14 C ATOM 797 C SER A 54 -2.266 9.843 -24.701 1.00 31.12 C ATOM 798 O SER A 54 -2.285 10.259 -25.858 1.00 73.04 O ATOM 799 CB SER A 54 0.099 9.392 -24.022 1.00 1.24 C ATOM 800 OG SER A 54 1.205 10.209 -24.365 1.00 20.00 O ATOM 0 H SER A 54 -1.361 9.165 -21.956 1.00 71.23 H new ATOM 0 HA SER A 54 -0.905 11.289 -23.907 1.00 51.14 H new ATOM 0 HB2 SER A 54 0.342 8.797 -23.142 1.00 1.24 H new ATOM 0 HB3 SER A 54 -0.106 8.693 -24.833 1.00 1.24 H new ATOM 0 HG SER A 54 1.988 9.645 -24.536 1.00 20.00 H new ATOM 806 N GLY A 55 -3.200 9.035 -24.207 1.00 1.31 N ATOM 807 CA GLY A 55 -4.312 8.596 -25.030 1.00 2.42 C ATOM 808 C GLY A 55 -5.132 9.755 -25.562 1.00 63.23 C ATOM 809 O GLY A 55 -5.982 9.574 -26.433 1.00 10.22 O ATOM 0 H GLY A 55 -3.206 8.677 -23.252 1.00 1.31 H new ATOM 0 HA2 GLY A 55 -3.932 8.010 -25.867 1.00 2.42 H new ATOM 0 HA3 GLY A 55 -4.955 7.938 -24.446 1.00 2.42 H new ATOM 813 N GLY A 56 -4.877 10.949 -25.037 1.00 12.34 N ATOM 814 CA GLY A 56 -5.608 12.124 -25.475 1.00 62.14 C ATOM 815 C GLY A 56 -5.665 12.240 -26.986 1.00 2.53 C ATOM 816 O GLY A 56 -6.622 12.782 -27.538 1.00 5.12 O ATOM 0 H GLY A 56 -4.177 11.124 -24.316 1.00 12.34 H new ATOM 0 HA2 GLY A 56 -6.622 12.086 -25.078 1.00 62.14 H new ATOM 0 HA3 GLY A 56 -5.137 13.016 -25.062 1.00 62.14 H new ATOM 820 N GLY A 57 -4.636 11.732 -27.656 1.00 64.25 N ATOM 821 CA GLY A 57 -4.591 11.793 -29.106 1.00 14.33 C ATOM 822 C GLY A 57 -5.746 11.054 -29.753 1.00 3.12 C ATOM 823 O GLY A 57 -6.340 11.537 -30.717 1.00 12.22 O ATOM 0 H GLY A 57 -3.832 11.279 -27.221 1.00 64.25 H new ATOM 0 HA2 GLY A 57 -4.607 12.836 -29.423 1.00 14.33 H new ATOM 0 HA3 GLY A 57 -3.650 11.368 -29.456 1.00 14.33 H new ATOM 827 N LYS A 58 -6.064 9.878 -29.224 1.00 21.44 N ATOM 828 CA LYS A 58 -7.154 9.069 -29.755 1.00 74.21 C ATOM 829 C LYS A 58 -8.493 9.510 -29.172 1.00 52.04 C ATOM 830 O LYS A 58 -9.534 9.379 -29.816 1.00 54.43 O ATOM 831 CB LYS A 58 -6.915 7.589 -29.448 1.00 75.32 C ATOM 832 CG LYS A 58 -7.591 6.647 -30.430 1.00 15.13 C ATOM 833 CD LYS A 58 -6.951 5.269 -30.412 1.00 11.21 C ATOM 834 CE LYS A 58 -7.860 4.241 -29.757 1.00 20.34 C ATOM 835 NZ LYS A 58 -8.697 3.523 -30.757 1.00 71.42 N ATOM 0 H LYS A 58 -5.582 9.463 -28.427 1.00 21.44 H new ATOM 0 HA LYS A 58 -7.184 9.209 -30.836 1.00 74.21 H new ATOM 0 HB2 LYS A 58 -5.842 7.395 -29.451 1.00 75.32 H new ATOM 0 HB3 LYS A 58 -7.276 7.372 -28.443 1.00 75.32 H new ATOM 0 HG2 LYS A 58 -8.649 6.561 -30.183 1.00 15.13 H new ATOM 0 HG3 LYS A 58 -7.531 7.064 -31.435 1.00 15.13 H new ATOM 0 HD2 LYS A 58 -6.724 4.959 -31.432 1.00 11.21 H new ATOM 0 HD3 LYS A 58 -6.004 5.314 -29.875 1.00 11.21 H new ATOM 0 HE2 LYS A 58 -7.256 3.521 -29.205 1.00 20.34 H new ATOM 0 HE3 LYS A 58 -8.506 4.737 -29.032 1.00 20.34 H new ATOM 0 HZ1 LYS A 58 -9.302 2.831 -30.270 1.00 71.42 H new ATOM 0 HZ2 LYS A 58 -9.293 4.207 -31.266 1.00 71.42 H new ATOM 0 HZ3 LYS A 58 -8.081 3.029 -31.434 1.00 71.42 H new ATOM 849 N ASP A 59 -8.458 10.034 -27.952 1.00 72.41 N ATOM 850 CA ASP A 59 -9.669 10.497 -27.284 1.00 22.32 C ATOM 851 C ASP A 59 -10.220 11.747 -27.963 1.00 21.24 C ATOM 852 O ASP A 59 -11.426 11.987 -27.958 1.00 14.42 O ATOM 853 CB ASP A 59 -9.384 10.785 -25.809 1.00 52.50 C ATOM 854 CG ASP A 59 -9.701 9.602 -24.916 1.00 11.33 C ATOM 855 OD1 ASP A 59 -10.896 9.375 -24.635 1.00 32.13 O ATOM 856 OD2 ASP A 59 -8.754 8.904 -24.497 1.00 2.22 O ATOM 0 H ASP A 59 -7.605 10.149 -27.405 1.00 72.41 H new ATOM 0 HA ASP A 59 -10.418 9.708 -27.354 1.00 22.32 H new ATOM 0 HB2 ASP A 59 -8.335 11.055 -25.691 1.00 52.50 H new ATOM 0 HB3 ASP A 59 -9.972 11.645 -25.490 1.00 52.50 H new ATOM 861 N GLY A 60 -9.326 12.541 -28.545 1.00 74.53 N ATOM 862 CA GLY A 60 -9.742 13.757 -29.219 1.00 33.21 C ATOM 863 C GLY A 60 -10.532 13.479 -30.483 1.00 20.35 C ATOM 864 O GLY A 60 -11.251 14.347 -30.977 1.00 4.20 O ATOM 0 H GLY A 60 -8.322 12.364 -28.562 1.00 74.53 H new ATOM 0 HA2 GLY A 60 -10.349 14.356 -28.540 1.00 33.21 H new ATOM 0 HA3 GLY A 60 -8.862 14.350 -29.467 1.00 33.21 H new TER 868 GLY A 60