USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 470 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 GLN : amide:sc= -2.38! K(o=-5!,f=1.2) USER MOD Set 1.2: A 55 GLN : amide:sc= -2.67! K(o=-5!,f=1.2) USER MOD Set 2.1: A 23 ASN : amide:sc= -0.453 X(o=-1.1,f=-1.1) USER MOD Set 2.2: A 24 ASN : amide:sc= -0.695 K(o=-1.1,f=-5.7!) USER MOD Set 3.1: A 21 ASN : amide:sc= -0.604 K(o=-1.3,f=-5.8!) USER MOD Set 3.2: A 52 ASN : amide:sc= -0.723 K(o=-1.3,f=-0.76) USER MOD Single : A 1 VAL N :NH3+ -118:sc= 0.115 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -1.62 K(o=-1.6,f=-0.076) USER MOD Single : A 4 LYS NZ :NH3+ 161:sc= 1 (180deg=0.671) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 7 LYS NZ :NH3+ -160:sc= -0.034 (180deg=-0.412) USER MOD Single : A 9 MET CE :methyl 175:sc= 0 (180deg=-0.0144) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 27 LYS NZ :NH3+ 167:sc= 1.24 (180deg=1.05) USER MOD Single : A 33 SER OG : rot 78:sc= 1.09 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -1.36 K(o=-1.4,f=0) USER MOD Single : A 41 SER OG : rot -96:sc= 0.97 USER MOD Single : A 43 ASN : amide:sc=-0.00979 K(o=-0.0098,f=-1.1) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -178:sc= 0.552 (180deg=0.516) USER MOD Single : A 58 LYS NZ :NH3+ 145:sc= -0.0823 (180deg=-0.519) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.942 -6.394 -19.455 1.00 0.00 N ATOM 2 CA VAL A 1 3.399 -6.562 -19.174 1.00 0.00 C ATOM 3 C VAL A 1 3.636 -7.953 -18.564 1.00 0.00 C ATOM 4 O VAL A 1 2.751 -8.810 -18.619 1.00 0.00 O ATOM 5 CB VAL A 1 3.860 -5.417 -18.235 1.00 0.00 C ATOM 6 CG1 VAL A 1 3.424 -5.686 -16.782 1.00 0.00 C ATOM 7 CG2 VAL A 1 5.393 -5.251 -18.298 1.00 0.00 C ATOM 0 H1 VAL A 1 1.799 -6.260 -20.476 1.00 0.00 H new ATOM 0 H2 VAL A 1 1.428 -7.242 -19.141 1.00 0.00 H new ATOM 0 H3 VAL A 1 1.583 -5.563 -18.943 1.00 0.00 H new ATOM 0 HA VAL A 1 3.988 -6.501 -20.089 1.00 0.00 H new ATOM 0 HB VAL A 1 3.387 -4.495 -18.575 1.00 0.00 H new ATOM 0 HG11 VAL A 1 3.760 -4.868 -16.144 1.00 0.00 H new ATOM 0 HG12 VAL A 1 2.337 -5.760 -16.736 1.00 0.00 H new ATOM 0 HG13 VAL A 1 3.866 -6.621 -16.437 1.00 0.00 H new ATOM 0 HG21 VAL A 1 5.699 -4.443 -17.633 1.00 0.00 H new ATOM 0 HG22 VAL A 1 5.873 -6.179 -17.987 1.00 0.00 H new ATOM 0 HG23 VAL A 1 5.692 -5.013 -19.319 1.00 0.00 H new ATOM 17 N ASP A 2 4.829 -8.174 -18.003 1.00 0.00 N ATOM 18 CA ASP A 2 5.173 -9.465 -17.402 1.00 0.00 C ATOM 19 C ASP A 2 4.248 -9.786 -16.222 1.00 0.00 C ATOM 20 O ASP A 2 3.780 -8.885 -15.520 1.00 0.00 O ATOM 21 CB ASP A 2 6.631 -9.450 -16.927 1.00 0.00 C ATOM 22 CG ASP A 2 7.078 -10.868 -16.568 1.00 0.00 C ATOM 23 OD1 ASP A 2 7.566 -11.557 -17.451 1.00 0.00 O ATOM 24 OD2 ASP A 2 6.920 -11.248 -15.420 1.00 0.00 O ATOM 0 H ASP A 2 5.571 -7.476 -17.953 1.00 0.00 H new ATOM 0 HA ASP A 2 5.045 -10.238 -18.160 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.273 -9.044 -17.709 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.733 -8.797 -16.060 1.00 0.00 H new ATOM 29 N ASN A 3 3.996 -11.084 -16.024 1.00 0.00 N ATOM 30 CA ASN A 3 3.126 -11.563 -14.942 1.00 0.00 C ATOM 31 C ASN A 3 3.607 -11.085 -13.564 1.00 0.00 C ATOM 32 O ASN A 3 2.823 -11.044 -12.612 1.00 0.00 O ATOM 33 CB ASN A 3 3.072 -13.101 -14.961 1.00 0.00 C ATOM 34 CG ASN A 3 2.429 -13.622 -16.255 1.00 0.00 C ATOM 35 OD1 ASN A 3 2.234 -14.827 -16.402 1.00 0.00 O ATOM 36 ND2 ASN A 3 2.092 -12.792 -17.208 1.00 0.00 N ATOM 0 H ASN A 3 4.385 -11.828 -16.603 1.00 0.00 H new ATOM 0 HA ASN A 3 2.132 -11.150 -15.111 1.00 0.00 H new ATOM 0 HB2 ASN A 3 4.081 -13.503 -14.866 1.00 0.00 H new ATOM 0 HB3 ASN A 3 2.504 -13.458 -14.101 1.00 0.00 H new ATOM 0 HD21 ASN A 3 1.670 -13.146 -18.067 1.00 0.00 H new ATOM 0 HD22 ASN A 3 2.251 -11.791 -17.092 1.00 0.00 H new ATOM 43 N LYS A 4 4.901 -10.745 -13.465 1.00 0.00 N ATOM 44 CA LYS A 4 5.504 -10.289 -12.200 1.00 0.00 C ATOM 45 C LYS A 4 4.711 -9.137 -11.567 1.00 0.00 C ATOM 46 O LYS A 4 4.577 -9.072 -10.342 1.00 0.00 O ATOM 47 CB LYS A 4 6.941 -9.808 -12.464 1.00 0.00 C ATOM 48 CG LYS A 4 7.661 -9.499 -11.136 1.00 0.00 C ATOM 49 CD LYS A 4 8.775 -8.462 -11.369 1.00 0.00 C ATOM 50 CE LYS A 4 8.194 -7.034 -11.315 1.00 0.00 C ATOM 51 NZ LYS A 4 8.601 -6.378 -10.038 1.00 0.00 N ATOM 0 H LYS A 4 5.554 -10.777 -14.248 1.00 0.00 H new ATOM 0 HA LYS A 4 5.495 -11.132 -11.509 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.491 -10.572 -13.013 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.923 -8.916 -13.090 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.947 -9.119 -10.405 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.085 -10.414 -10.722 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.551 -8.575 -10.612 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.246 -8.635 -12.337 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.551 -6.452 -12.165 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.107 -7.069 -11.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.499 -5.347 -10.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.995 -6.719 -9.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.593 -6.610 -9.829 1.00 0.00 H new ATOM 65 N PHE A 5 4.202 -8.229 -12.409 1.00 0.00 N ATOM 66 CA PHE A 5 3.440 -7.068 -11.927 1.00 0.00 C ATOM 67 C PHE A 5 2.256 -7.494 -11.043 1.00 0.00 C ATOM 68 O PHE A 5 2.280 -7.284 -9.827 1.00 0.00 O ATOM 69 CB PHE A 5 2.936 -6.235 -13.130 1.00 0.00 C ATOM 70 CG PHE A 5 3.630 -4.885 -13.154 1.00 0.00 C ATOM 71 CD1 PHE A 5 4.932 -4.770 -13.662 1.00 0.00 C ATOM 72 CD2 PHE A 5 2.972 -3.750 -12.661 1.00 0.00 C ATOM 73 CE1 PHE A 5 5.571 -3.523 -13.677 1.00 0.00 C ATOM 74 CE2 PHE A 5 3.611 -2.505 -12.675 1.00 0.00 C ATOM 75 CZ PHE A 5 4.910 -2.391 -13.184 1.00 0.00 C ATOM 0 H PHE A 5 4.303 -8.274 -13.423 1.00 0.00 H new ATOM 0 HA PHE A 5 4.105 -6.459 -11.316 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.130 -6.770 -14.060 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.857 -6.097 -13.061 1.00 0.00 H new ATOM 0 HD1 PHE A 5 5.442 -5.643 -14.042 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.969 -3.836 -12.269 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.574 -3.435 -14.069 1.00 0.00 H new ATOM 0 HE2 PHE A 5 3.102 -1.632 -12.293 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.403 -1.430 -13.197 1.00 0.00 H new ATOM 85 N ASN A 6 1.228 -8.078 -11.662 1.00 0.00 N ATOM 86 CA ASN A 6 0.032 -8.517 -10.932 1.00 0.00 C ATOM 87 C ASN A 6 0.363 -9.578 -9.876 1.00 0.00 C ATOM 88 O ASN A 6 -0.240 -9.594 -8.798 1.00 0.00 O ATOM 89 CB ASN A 6 -1.001 -9.082 -11.919 1.00 0.00 C ATOM 90 CG ASN A 6 -1.446 -8.007 -12.914 1.00 0.00 C ATOM 91 OD1 ASN A 6 -1.723 -6.871 -12.527 1.00 0.00 O ATOM 92 ND2 ASN A 6 -1.534 -8.302 -14.182 1.00 0.00 N ATOM 0 H ASN A 6 1.197 -8.259 -12.665 1.00 0.00 H new ATOM 0 HA ASN A 6 -0.377 -7.648 -10.417 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.572 -9.927 -12.457 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.866 -9.458 -11.372 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.832 -7.592 -14.851 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.305 -9.242 -14.504 1.00 0.00 H new ATOM 99 N LYS A 7 1.302 -10.472 -10.202 1.00 0.00 N ATOM 100 CA LYS A 7 1.691 -11.553 -9.288 1.00 0.00 C ATOM 101 C LYS A 7 2.258 -11.009 -7.971 1.00 0.00 C ATOM 102 O LYS A 7 1.879 -11.469 -6.892 1.00 0.00 O ATOM 103 CB LYS A 7 2.736 -12.449 -9.974 1.00 0.00 C ATOM 104 CG LYS A 7 3.057 -13.681 -9.105 1.00 0.00 C ATOM 105 CD LYS A 7 1.910 -14.704 -9.193 1.00 0.00 C ATOM 106 CE LYS A 7 2.291 -15.983 -8.435 1.00 0.00 C ATOM 107 NZ LYS A 7 3.400 -16.675 -9.152 1.00 0.00 N ATOM 0 H LYS A 7 1.806 -10.470 -11.089 1.00 0.00 H new ATOM 0 HA LYS A 7 0.799 -12.132 -9.049 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.363 -12.771 -10.946 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.647 -11.879 -10.155 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.989 -14.138 -9.438 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.204 -13.376 -8.069 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.999 -14.279 -8.772 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.699 -14.938 -10.236 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.598 -15.738 -7.418 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.427 -16.643 -8.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.434 -17.672 -8.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.237 -16.621 -10.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.304 -16.215 -8.920 1.00 0.00 H new ATOM 121 N GLU A 8 3.176 -10.043 -8.070 1.00 0.00 N ATOM 122 CA GLU A 8 3.808 -9.458 -6.880 1.00 0.00 C ATOM 123 C GLU A 8 2.788 -8.727 -5.999 1.00 0.00 C ATOM 124 O GLU A 8 2.813 -8.858 -4.771 1.00 0.00 O ATOM 125 CB GLU A 8 4.913 -8.484 -7.317 1.00 0.00 C ATOM 126 CG GLU A 8 5.707 -7.991 -6.089 1.00 0.00 C ATOM 127 CD GLU A 8 6.786 -6.963 -6.478 1.00 0.00 C ATOM 128 OE1 GLU A 8 7.108 -6.851 -7.654 1.00 0.00 O ATOM 129 OE2 GLU A 8 7.294 -6.313 -5.578 1.00 0.00 O ATOM 0 H GLU A 8 3.498 -9.651 -8.955 1.00 0.00 H new ATOM 0 HA GLU A 8 4.236 -10.268 -6.289 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.585 -8.977 -8.019 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.473 -7.635 -7.839 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.022 -7.543 -5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.177 -8.841 -5.595 1.00 0.00 H new ATOM 136 N MET A 9 1.898 -7.959 -6.635 1.00 0.00 N ATOM 137 CA MET A 9 0.872 -7.195 -5.914 1.00 0.00 C ATOM 138 C MET A 9 -0.007 -8.106 -5.058 1.00 0.00 C ATOM 139 O MET A 9 -0.541 -7.668 -4.040 1.00 0.00 O ATOM 140 CB MET A 9 0.003 -6.416 -6.909 1.00 0.00 C ATOM 141 CG MET A 9 0.845 -5.323 -7.577 1.00 0.00 C ATOM 142 SD MET A 9 -0.172 -4.416 -8.768 1.00 0.00 S ATOM 143 CE MET A 9 1.188 -3.641 -9.677 1.00 0.00 C ATOM 0 H MET A 9 1.866 -7.849 -7.649 1.00 0.00 H new ATOM 0 HA MET A 9 1.380 -6.497 -5.249 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.399 -7.092 -7.664 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.848 -5.970 -6.394 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.237 -4.640 -6.823 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.703 -5.768 -8.081 1.00 0.00 H new ATOM 0 HE1 MET A 9 0.789 -3.093 -10.531 1.00 0.00 H new ATOM 0 HE2 MET A 9 1.719 -2.953 -9.020 1.00 0.00 H new ATOM 0 HE3 MET A 9 1.875 -4.410 -10.029 1.00 0.00 H new ATOM 153 N ARG A 10 -0.155 -9.370 -5.471 1.00 0.00 N ATOM 154 CA ARG A 10 -0.973 -10.326 -4.714 1.00 0.00 C ATOM 155 C ARG A 10 -0.515 -10.373 -3.250 1.00 0.00 C ATOM 156 O ARG A 10 -1.334 -10.510 -2.337 1.00 0.00 O ATOM 157 CB ARG A 10 -0.859 -11.725 -5.343 1.00 0.00 C ATOM 158 CG ARG A 10 -1.865 -12.687 -4.688 1.00 0.00 C ATOM 159 CD ARG A 10 -1.731 -14.082 -5.314 1.00 0.00 C ATOM 160 NE ARG A 10 -2.768 -14.974 -4.787 1.00 0.00 N ATOM 161 CZ ARG A 10 -2.883 -16.244 -5.190 1.00 0.00 C ATOM 162 NH1 ARG A 10 -2.064 -16.740 -6.077 1.00 0.00 N ATOM 163 NH2 ARG A 10 -3.824 -16.994 -4.692 1.00 0.00 N ATOM 0 H ARG A 10 0.274 -9.752 -6.314 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.013 -10.002 -4.747 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.047 -11.666 -6.415 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.154 -12.106 -5.217 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.685 -12.741 -3.614 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.880 -12.314 -4.823 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.818 -14.012 -6.398 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.744 -14.492 -5.099 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.422 -14.615 -4.091 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.325 -16.157 -6.471 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.163 -17.710 -6.376 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.468 -16.612 -3.999 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.917 -17.963 -4.995 1.00 0.00 H new ATOM 177 N ASN A 11 0.802 -10.246 -3.048 1.00 0.00 N ATOM 178 CA ASN A 11 1.389 -10.262 -1.704 1.00 0.00 C ATOM 179 C ASN A 11 1.016 -9.003 -0.906 1.00 0.00 C ATOM 180 O ASN A 11 0.908 -9.056 0.322 1.00 0.00 O ATOM 181 CB ASN A 11 2.919 -10.370 -1.800 1.00 0.00 C ATOM 182 CG ASN A 11 3.320 -11.673 -2.492 1.00 0.00 C ATOM 183 OD1 ASN A 11 4.021 -11.652 -3.503 1.00 0.00 O ATOM 184 ND2 ASN A 11 2.920 -12.815 -2.002 1.00 0.00 N ATOM 0 H ASN A 11 1.482 -10.131 -3.800 1.00 0.00 H new ATOM 0 HA ASN A 11 0.987 -11.129 -1.180 1.00 0.00 H new ATOM 0 HB2 ASN A 11 3.316 -9.520 -2.354 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.356 -10.332 -0.802 1.00 0.00 H new ATOM 0 HD21 ASN A 11 3.189 -13.687 -2.457 1.00 0.00 H new ATOM 0 HD22 ASN A 11 2.339 -12.835 -1.164 1.00 0.00 H new ATOM 191 N ALA A 12 0.845 -7.870 -1.607 1.00 0.00 N ATOM 192 CA ALA A 12 0.511 -6.597 -0.949 1.00 0.00 C ATOM 193 C ALA A 12 -0.289 -5.679 -1.880 1.00 0.00 C ATOM 194 O ALA A 12 0.207 -5.280 -2.939 1.00 0.00 O ATOM 195 CB ALA A 12 1.811 -5.891 -0.545 1.00 0.00 C ATOM 0 H ALA A 12 0.932 -7.810 -2.622 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.101 -6.812 -0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.575 -4.946 -0.056 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.371 -6.525 0.142 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.412 -5.700 -1.434 1.00 0.00 H new ATOM 201 N TYR A 13 -1.520 -5.333 -1.473 1.00 0.00 N ATOM 202 CA TYR A 13 -2.369 -4.448 -2.280 1.00 0.00 C ATOM 203 C TYR A 13 -3.559 -3.907 -1.461 1.00 0.00 C ATOM 204 O TYR A 13 -3.471 -2.821 -0.881 1.00 0.00 O ATOM 205 CB TYR A 13 -2.859 -5.197 -3.538 1.00 0.00 C ATOM 206 CG TYR A 13 -3.633 -4.251 -4.440 1.00 0.00 C ATOM 207 CD1 TYR A 13 -2.944 -3.374 -5.290 1.00 0.00 C ATOM 208 CD2 TYR A 13 -5.036 -4.250 -4.427 1.00 0.00 C ATOM 209 CE1 TYR A 13 -3.653 -2.500 -6.122 1.00 0.00 C ATOM 210 CE2 TYR A 13 -5.744 -3.374 -5.260 1.00 0.00 C ATOM 211 CZ TYR A 13 -5.052 -2.500 -6.107 1.00 0.00 C ATOM 212 OH TYR A 13 -5.749 -1.637 -6.927 1.00 0.00 O ATOM 0 H TYR A 13 -1.944 -5.649 -0.601 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.774 -3.589 -2.590 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.008 -5.612 -4.078 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.492 -6.035 -3.248 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.864 -3.373 -5.303 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.570 -4.925 -3.775 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.120 -1.825 -6.776 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.824 -3.373 -5.249 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.711 -1.766 -6.795 1.00 0.00 H new ATOM 222 N TRP A 14 -4.669 -4.660 -1.440 1.00 0.00 N ATOM 223 CA TRP A 14 -5.881 -4.246 -0.718 1.00 0.00 C ATOM 224 C TRP A 14 -5.617 -4.033 0.776 1.00 0.00 C ATOM 225 O TRP A 14 -6.329 -3.260 1.426 1.00 0.00 O ATOM 226 CB TRP A 14 -6.997 -5.286 -0.909 1.00 0.00 C ATOM 227 CG TRP A 14 -6.544 -6.630 -0.424 1.00 0.00 C ATOM 228 CD1 TRP A 14 -6.516 -7.022 0.870 1.00 0.00 C ATOM 229 CD2 TRP A 14 -6.064 -7.765 -1.205 1.00 0.00 C ATOM 230 NE1 TRP A 14 -6.044 -8.321 0.934 1.00 0.00 N ATOM 231 CE2 TRP A 14 -5.752 -8.822 -0.318 1.00 0.00 C ATOM 232 CE3 TRP A 14 -5.869 -7.976 -2.582 1.00 0.00 C ATOM 233 CZ2 TRP A 14 -5.264 -10.045 -0.780 1.00 0.00 C ATOM 234 CZ3 TRP A 14 -5.378 -9.206 -3.051 1.00 0.00 C ATOM 235 CH2 TRP A 14 -5.077 -10.239 -2.151 1.00 0.00 C ATOM 0 H TRP A 14 -4.752 -5.559 -1.915 1.00 0.00 H new ATOM 0 HA TRP A 14 -6.197 -3.291 -1.138 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -7.889 -4.977 -0.364 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -7.272 -5.345 -1.962 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.814 -6.419 1.715 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -5.926 -8.845 1.801 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -6.098 -7.187 -3.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -5.032 -10.836 -0.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -5.232 -9.357 -4.110 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -4.701 -11.183 -2.517 1.00 0.00 H new ATOM 246 N GLU A 15 -4.601 -4.718 1.312 1.00 0.00 N ATOM 247 CA GLU A 15 -4.257 -4.593 2.734 1.00 0.00 C ATOM 248 C GLU A 15 -3.938 -3.138 3.095 1.00 0.00 C ATOM 249 O GLU A 15 -4.239 -2.691 4.204 1.00 0.00 O ATOM 250 CB GLU A 15 -3.039 -5.473 3.059 1.00 0.00 C ATOM 251 CG GLU A 15 -3.416 -6.965 2.991 1.00 0.00 C ATOM 252 CD GLU A 15 -4.500 -7.308 4.024 1.00 0.00 C ATOM 253 OE1 GLU A 15 -4.334 -6.954 5.183 1.00 0.00 O ATOM 254 OE2 GLU A 15 -5.471 -7.939 3.645 1.00 0.00 O ATOM 0 H GLU A 15 -4.006 -5.360 0.788 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.116 -4.920 3.319 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.234 -5.263 2.355 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.664 -5.232 4.054 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.773 -7.208 1.990 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.531 -7.576 3.171 1.00 0.00 H new ATOM 261 N ILE A 16 -3.327 -2.411 2.155 1.00 0.00 N ATOM 262 CA ILE A 16 -2.966 -1.007 2.385 1.00 0.00 C ATOM 263 C ILE A 16 -4.229 -0.148 2.541 1.00 0.00 C ATOM 264 O ILE A 16 -4.347 0.632 3.490 1.00 0.00 O ATOM 265 CB ILE A 16 -2.109 -0.485 1.206 1.00 0.00 C ATOM 266 CG1 ILE A 16 -0.859 -1.374 1.041 1.00 0.00 C ATOM 267 CG2 ILE A 16 -1.660 0.969 1.466 1.00 0.00 C ATOM 268 CD1 ILE A 16 -0.077 -0.959 -0.211 1.00 0.00 C ATOM 0 H ILE A 16 -3.073 -2.767 1.234 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.386 -0.940 3.305 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.713 -0.516 0.299 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.223 -1.287 1.922 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.155 -2.420 0.964 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.059 1.320 0.627 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.537 1.607 1.575 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.067 1.009 2.379 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.803 -1.593 -0.317 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.712 -1.069 -1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.235 0.081 -0.117 1.00 0.00 H new ATOM 280 N ALA A 17 -5.156 -0.293 1.591 1.00 0.00 N ATOM 281 CA ALA A 17 -6.403 0.475 1.600 1.00 0.00 C ATOM 282 C ALA A 17 -7.279 0.123 2.807 1.00 0.00 C ATOM 283 O ALA A 17 -8.057 0.959 3.277 1.00 0.00 O ATOM 284 CB ALA A 17 -7.184 0.203 0.309 1.00 0.00 C ATOM 0 H ALA A 17 -5.066 -0.936 0.805 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.143 1.531 1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.112 0.775 0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.582 0.500 -0.550 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.414 -0.860 0.240 1.00 0.00 H new ATOM 290 N LEU A 18 -7.164 -1.123 3.280 1.00 0.00 N ATOM 291 CA LEU A 18 -7.965 -1.603 4.413 1.00 0.00 C ATOM 292 C LEU A 18 -7.756 -0.748 5.671 1.00 0.00 C ATOM 293 O LEU A 18 -8.709 -0.508 6.418 1.00 0.00 O ATOM 294 CB LEU A 18 -7.602 -3.069 4.713 1.00 0.00 C ATOM 295 CG LEU A 18 -8.541 -3.653 5.789 1.00 0.00 C ATOM 296 CD1 LEU A 18 -9.964 -3.806 5.226 1.00 0.00 C ATOM 297 CD2 LEU A 18 -8.018 -5.030 6.227 1.00 0.00 C ATOM 0 H LEU A 18 -6.524 -1.818 2.896 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.016 -1.525 4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.674 -3.661 3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.568 -3.131 5.053 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.567 -2.976 6.643 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.617 -4.219 5.995 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.340 -2.831 4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.945 -4.477 4.367 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.679 -5.445 6.987 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.989 -5.699 5.367 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.014 -4.924 6.638 1.00 0.00 H new ATOM 309 N LEU A 19 -6.516 -0.304 5.908 1.00 0.00 N ATOM 310 CA LEU A 19 -6.213 0.506 7.096 1.00 0.00 C ATOM 311 C LEU A 19 -6.974 1.847 7.043 1.00 0.00 C ATOM 312 O LEU A 19 -6.819 2.608 6.086 1.00 0.00 O ATOM 313 CB LEU A 19 -4.697 0.766 7.191 1.00 0.00 C ATOM 314 CG LEU A 19 -3.934 -0.408 7.870 1.00 0.00 C ATOM 315 CD1 LEU A 19 -4.611 -1.769 7.625 1.00 0.00 C ATOM 316 CD2 LEU A 19 -2.497 -0.461 7.328 1.00 0.00 C ATOM 0 H LEU A 19 -5.716 -0.488 5.303 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.535 -0.045 7.980 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.295 0.926 6.190 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.523 1.683 7.755 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.940 -0.222 8.944 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.039 -2.554 8.120 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.624 -1.749 8.027 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.650 -1.968 6.554 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.960 -1.282 7.802 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.520 -0.617 6.249 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.990 0.479 7.548 1.00 0.00 H new ATOM 328 N PRO A 20 -7.804 2.134 8.040 1.00 0.00 N ATOM 329 CA PRO A 20 -8.627 3.393 8.105 1.00 0.00 C ATOM 330 C PRO A 20 -7.925 4.607 8.741 1.00 0.00 C ATOM 331 O PRO A 20 -8.343 5.746 8.514 1.00 0.00 O ATOM 332 CB PRO A 20 -9.800 2.952 8.980 1.00 0.00 C ATOM 333 CG PRO A 20 -9.191 2.001 9.963 1.00 0.00 C ATOM 334 CD PRO A 20 -8.060 1.284 9.226 1.00 0.00 C ATOM 0 HA PRO A 20 -8.876 3.750 7.106 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.263 3.801 9.483 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.578 2.469 8.389 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.810 2.534 10.834 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.932 1.288 10.324 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.171 1.194 9.851 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.350 0.274 8.937 1.00 0.00 H new ATOM 342 N ASN A 21 -6.898 4.363 9.558 1.00 0.00 N ATOM 343 CA ASN A 21 -6.187 5.451 10.252 1.00 0.00 C ATOM 344 C ASN A 21 -5.524 6.405 9.265 1.00 0.00 C ATOM 345 O ASN A 21 -5.478 7.615 9.503 1.00 0.00 O ATOM 346 CB ASN A 21 -5.110 4.917 11.230 1.00 0.00 C ATOM 347 CG ASN A 21 -5.082 3.391 11.269 1.00 0.00 C ATOM 348 OD1 ASN A 21 -4.913 2.746 10.235 1.00 0.00 O ATOM 349 ND2 ASN A 21 -5.239 2.772 12.403 1.00 0.00 N ATOM 0 H ASN A 21 -6.538 3.430 9.758 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.945 5.987 10.823 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.131 5.290 10.931 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.306 5.302 12.231 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.222 1.753 12.434 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.379 3.306 13.261 1.00 0.00 H new ATOM 356 N LEU A 22 -4.994 5.854 8.174 1.00 0.00 N ATOM 357 CA LEU A 22 -4.308 6.673 7.176 1.00 0.00 C ATOM 358 C LEU A 22 -5.310 7.464 6.344 1.00 0.00 C ATOM 359 O LEU A 22 -6.273 6.905 5.812 1.00 0.00 O ATOM 360 CB LEU A 22 -3.442 5.806 6.245 1.00 0.00 C ATOM 361 CG LEU A 22 -2.502 4.900 7.063 1.00 0.00 C ATOM 362 CD1 LEU A 22 -3.204 3.590 7.422 1.00 0.00 C ATOM 363 CD2 LEU A 22 -1.249 4.586 6.244 1.00 0.00 C ATOM 0 H LEU A 22 -5.025 4.857 7.960 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.661 7.366 7.713 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.082 5.194 5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.856 6.446 5.585 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.227 5.422 7.979 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.527 2.961 8.000 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.094 3.804 8.014 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.492 3.070 6.509 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.586 3.945 6.825 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.534 4.075 5.324 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.733 5.514 5.998 1.00 0.00 H new ATOM 375 N ASN A 23 -5.060 8.771 6.251 1.00 0.00 N ATOM 376 CA ASN A 23 -5.926 9.682 5.487 1.00 0.00 C ATOM 377 C ASN A 23 -6.105 9.206 4.036 1.00 0.00 C ATOM 378 O ASN A 23 -5.289 8.438 3.518 1.00 0.00 O ATOM 379 CB ASN A 23 -5.331 11.097 5.500 1.00 0.00 C ATOM 380 CG ASN A 23 -6.321 12.095 4.903 1.00 0.00 C ATOM 381 OD1 ASN A 23 -7.438 12.243 5.402 1.00 0.00 O ATOM 382 ND2 ASN A 23 -5.977 12.796 3.859 1.00 0.00 N ATOM 0 H ASN A 23 -4.263 9.227 6.695 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.907 9.690 5.962 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.085 11.386 6.522 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.401 11.113 4.932 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.632 13.466 3.456 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.053 12.674 3.445 1.00 0.00 H new ATOM 389 N ASN A 24 -7.197 9.658 3.408 1.00 0.00 N ATOM 390 CA ASN A 24 -7.531 9.282 2.023 1.00 0.00 C ATOM 391 C ASN A 24 -6.370 9.528 1.057 1.00 0.00 C ATOM 392 O ASN A 24 -6.013 8.651 0.264 1.00 0.00 O ATOM 393 CB ASN A 24 -8.762 10.077 1.533 1.00 0.00 C ATOM 394 CG ASN A 24 -8.872 11.424 2.251 1.00 0.00 C ATOM 395 OD1 ASN A 24 -8.126 12.353 1.951 1.00 0.00 O ATOM 396 ND2 ASN A 24 -9.760 11.579 3.192 1.00 0.00 N ATOM 0 H ASN A 24 -7.872 10.290 3.839 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.748 8.214 2.033 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.689 10.240 0.458 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.667 9.495 1.706 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -9.836 12.472 3.680 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.379 10.808 3.441 1.00 0.00 H new ATOM 403 N GLN A 25 -5.808 10.730 1.108 1.00 0.00 N ATOM 404 CA GLN A 25 -4.709 11.101 0.215 1.00 0.00 C ATOM 405 C GLN A 25 -3.491 10.193 0.401 1.00 0.00 C ATOM 406 O GLN A 25 -2.788 9.888 -0.567 1.00 0.00 O ATOM 407 CB GLN A 25 -4.318 12.565 0.459 1.00 0.00 C ATOM 408 CG GLN A 25 -5.491 13.477 0.059 1.00 0.00 C ATOM 409 CD GLN A 25 -5.170 14.946 0.359 1.00 0.00 C ATOM 410 OE1 GLN A 25 -4.381 15.250 1.256 1.00 0.00 O ATOM 411 NE2 GLN A 25 -5.745 15.883 -0.344 1.00 0.00 N ATOM 0 H GLN A 25 -6.092 11.465 1.756 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.055 10.977 -0.811 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.066 12.716 1.509 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.431 12.818 -0.121 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.704 13.357 -1.003 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.389 13.179 0.600 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -6.398 15.635 -1.087 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -5.541 16.864 -0.151 1.00 0.00 H new ATOM 420 N GLN A 26 -3.240 9.771 1.644 1.00 0.00 N ATOM 421 CA GLN A 26 -2.092 8.909 1.934 1.00 0.00 C ATOM 422 C GLN A 26 -2.250 7.529 1.291 1.00 0.00 C ATOM 423 O GLN A 26 -1.338 7.061 0.603 1.00 0.00 O ATOM 424 CB GLN A 26 -1.912 8.761 3.450 1.00 0.00 C ATOM 425 CG GLN A 26 -1.528 10.117 4.059 1.00 0.00 C ATOM 426 CD GLN A 26 -1.289 9.968 5.556 1.00 0.00 C ATOM 427 OE1 GLN A 26 -0.146 9.866 6.000 1.00 0.00 O ATOM 428 NE2 GLN A 26 -2.309 9.937 6.364 1.00 0.00 N ATOM 0 H GLN A 26 -3.809 10.009 2.456 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.206 9.380 1.508 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.835 8.396 3.902 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.139 8.023 3.664 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.630 10.500 3.576 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.321 10.843 3.880 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.256 10.022 5.994 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.162 9.828 7.367 1.00 0.00 H new ATOM 437 N LYS A 27 -3.403 6.880 1.512 1.00 0.00 N ATOM 438 CA LYS A 27 -3.640 5.549 0.938 1.00 0.00 C ATOM 439 C LYS A 27 -3.661 5.608 -0.592 1.00 0.00 C ATOM 440 O LYS A 27 -3.076 4.744 -1.252 1.00 0.00 O ATOM 441 CB LYS A 27 -4.941 4.922 1.483 1.00 0.00 C ATOM 442 CG LYS A 27 -6.159 5.804 1.169 1.00 0.00 C ATOM 443 CD LYS A 27 -7.452 5.101 1.623 1.00 0.00 C ATOM 444 CE LYS A 27 -7.484 4.963 3.154 1.00 0.00 C ATOM 445 NZ LYS A 27 -7.028 3.595 3.541 1.00 0.00 N ATOM 0 H LYS A 27 -4.172 7.247 2.073 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.812 4.908 1.242 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.082 3.934 1.045 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.857 4.784 2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.062 6.765 1.674 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.203 6.009 0.099 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.319 5.669 1.285 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.518 4.115 1.162 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.841 5.715 3.611 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.494 5.140 3.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.838 3.568 4.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.769 2.903 3.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.159 3.359 3.021 1.00 0.00 H new ATOM 459 N ARG A 28 -4.317 6.633 -1.148 1.00 0.00 N ATOM 460 CA ARG A 28 -4.378 6.793 -2.604 1.00 0.00 C ATOM 461 C ARG A 28 -2.977 7.037 -3.170 1.00 0.00 C ATOM 462 O ARG A 28 -2.633 6.534 -4.244 1.00 0.00 O ATOM 463 CB ARG A 28 -5.302 7.963 -2.980 1.00 0.00 C ATOM 464 CG ARG A 28 -6.764 7.602 -2.666 1.00 0.00 C ATOM 465 CD ARG A 28 -7.686 8.748 -3.103 1.00 0.00 C ATOM 466 NE ARG A 28 -9.058 8.492 -2.656 1.00 0.00 N ATOM 467 CZ ARG A 28 -10.058 9.341 -2.910 1.00 0.00 C ATOM 468 NH1 ARG A 28 -9.844 10.445 -3.575 1.00 0.00 N ATOM 469 NH2 ARG A 28 -11.259 9.066 -2.489 1.00 0.00 N ATOM 0 H ARG A 28 -4.807 7.355 -0.620 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.781 5.875 -3.033 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.013 8.857 -2.428 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.196 8.195 -4.040 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.041 6.683 -3.183 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.881 7.415 -1.599 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.330 9.690 -2.686 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.662 8.850 -4.188 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.256 7.638 -2.134 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.905 10.667 -3.907 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.616 11.085 -3.763 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.432 8.206 -1.968 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -12.026 9.710 -2.680 1.00 0.00 H new ATOM 483 N ALA A 29 -2.177 7.815 -2.433 1.00 0.00 N ATOM 484 CA ALA A 29 -0.813 8.136 -2.854 1.00 0.00 C ATOM 485 C ALA A 29 0.071 6.883 -2.873 1.00 0.00 C ATOM 486 O ALA A 29 0.908 6.726 -3.771 1.00 0.00 O ATOM 487 CB ALA A 29 -0.211 9.185 -1.911 1.00 0.00 C ATOM 0 H ALA A 29 -2.452 8.232 -1.544 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.855 8.537 -3.867 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.805 9.420 -2.229 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.818 10.090 -1.938 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.191 8.792 -0.895 1.00 0.00 H new ATOM 493 N PHE A 30 -0.115 5.999 -1.880 1.00 0.00 N ATOM 494 CA PHE A 30 0.679 4.766 -1.801 1.00 0.00 C ATOM 495 C PHE A 30 0.454 3.896 -3.035 1.00 0.00 C ATOM 496 O PHE A 30 1.407 3.555 -3.733 1.00 0.00 O ATOM 497 CB PHE A 30 0.316 3.963 -0.537 1.00 0.00 C ATOM 498 CG PHE A 30 1.132 4.450 0.649 1.00 0.00 C ATOM 499 CD1 PHE A 30 2.528 4.333 0.629 1.00 0.00 C ATOM 500 CD2 PHE A 30 0.497 5.007 1.768 1.00 0.00 C ATOM 501 CE1 PHE A 30 3.287 4.773 1.719 1.00 0.00 C ATOM 502 CE2 PHE A 30 1.258 5.446 2.859 1.00 0.00 C ATOM 503 CZ PHE A 30 2.654 5.328 2.833 1.00 0.00 C ATOM 0 H PHE A 30 -0.798 6.113 -1.131 1.00 0.00 H new ATOM 0 HA PHE A 30 1.730 5.052 -1.753 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.748 4.069 -0.323 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.503 2.902 -0.705 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.020 3.902 -0.230 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.579 5.098 1.789 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.363 4.683 1.699 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.769 5.876 3.721 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.240 5.666 3.675 1.00 0.00 H new ATOM 513 N ILE A 31 -0.814 3.542 -3.289 1.00 0.00 N ATOM 514 CA ILE A 31 -1.183 2.699 -4.440 1.00 0.00 C ATOM 515 C ILE A 31 -0.648 3.286 -5.757 1.00 0.00 C ATOM 516 O ILE A 31 -0.114 2.550 -6.593 1.00 0.00 O ATOM 517 CB ILE A 31 -2.721 2.551 -4.513 1.00 0.00 C ATOM 518 CG1 ILE A 31 -3.242 1.877 -3.225 1.00 0.00 C ATOM 519 CG2 ILE A 31 -3.114 1.692 -5.730 1.00 0.00 C ATOM 520 CD1 ILE A 31 -4.776 1.874 -3.218 1.00 0.00 C ATOM 0 H ILE A 31 -1.605 3.827 -2.712 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.730 1.718 -4.300 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.164 3.542 -4.614 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.868 0.855 -3.163 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.867 2.408 -2.350 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.199 1.594 -5.771 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.757 2.169 -6.643 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.664 0.703 -5.638 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.135 1.397 -2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.142 2.900 -3.259 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.143 1.323 -4.084 1.00 0.00 H new ATOM 532 N ARG A 32 -0.789 4.607 -5.931 1.00 0.00 N ATOM 533 CA ARG A 32 -0.305 5.273 -7.150 1.00 0.00 C ATOM 534 C ARG A 32 1.206 5.071 -7.298 1.00 0.00 C ATOM 535 O ARG A 32 1.690 4.661 -8.361 1.00 0.00 O ATOM 536 CB ARG A 32 -0.630 6.774 -7.089 1.00 0.00 C ATOM 537 CG ARG A 32 -0.263 7.448 -8.421 1.00 0.00 C ATOM 538 CD ARG A 32 -0.549 8.954 -8.338 1.00 0.00 C ATOM 539 NE ARG A 32 -0.297 9.594 -9.633 1.00 0.00 N ATOM 540 CZ ARG A 32 -1.151 9.493 -10.657 1.00 0.00 C ATOM 541 NH1 ARG A 32 -2.254 8.805 -10.542 1.00 0.00 N ATOM 542 NH2 ARG A 32 -0.878 10.089 -11.783 1.00 0.00 N ATOM 0 H ARG A 32 -1.228 5.230 -5.253 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.804 4.834 -8.014 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.690 6.916 -6.880 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.079 7.241 -6.272 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.790 7.280 -8.646 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.837 7.004 -9.234 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.584 9.118 -8.039 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.080 9.408 -7.572 1.00 0.00 H new ATOM 0 HE ARG A 32 0.559 10.135 -9.757 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.473 8.336 -9.663 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.897 8.736 -11.331 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.018 10.628 -11.879 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.525 10.016 -12.568 1.00 0.00 H new ATOM 556 N SER A 33 1.937 5.339 -6.212 1.00 0.00 N ATOM 557 CA SER A 33 3.390 5.165 -6.202 1.00 0.00 C ATOM 558 C SER A 33 3.735 3.689 -6.408 1.00 0.00 C ATOM 559 O SER A 33 4.741 3.355 -7.041 1.00 0.00 O ATOM 560 CB SER A 33 3.972 5.654 -4.871 1.00 0.00 C ATOM 561 OG SER A 33 3.551 6.993 -4.636 1.00 0.00 O ATOM 0 H SER A 33 1.547 5.676 -5.332 1.00 0.00 H new ATOM 0 HA SER A 33 3.822 5.752 -7.012 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.641 5.009 -4.057 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.060 5.602 -4.896 1.00 0.00 H new ATOM 0 HG SER A 33 2.626 6.993 -4.312 1.00 0.00 H new ATOM 567 N LEU A 34 2.881 2.820 -5.857 1.00 0.00 N ATOM 568 CA LEU A 34 3.061 1.372 -5.953 1.00 0.00 C ATOM 569 C LEU A 34 3.070 0.945 -7.420 1.00 0.00 C ATOM 570 O LEU A 34 3.910 0.143 -7.836 1.00 0.00 O ATOM 571 CB LEU A 34 1.901 0.675 -5.214 1.00 0.00 C ATOM 572 CG LEU A 34 2.355 -0.661 -4.600 1.00 0.00 C ATOM 573 CD1 LEU A 34 1.564 -0.909 -3.303 1.00 0.00 C ATOM 574 CD2 LEU A 34 2.093 -1.809 -5.591 1.00 0.00 C ATOM 0 H LEU A 34 2.051 3.101 -5.335 1.00 0.00 H new ATOM 0 HA LEU A 34 4.011 1.089 -5.499 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.522 1.329 -4.429 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.078 0.499 -5.907 1.00 0.00 H new ATOM 0 HG LEU A 34 3.422 -0.619 -4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.879 -1.854 -2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.754 -0.098 -2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.499 -0.951 -3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.417 -2.752 -5.150 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.027 -1.860 -5.815 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.649 -1.629 -6.511 1.00 0.00 H new ATOM 586 N TYR A 35 2.131 1.500 -8.193 1.00 0.00 N ATOM 587 CA TYR A 35 2.028 1.190 -9.619 1.00 0.00 C ATOM 588 C TYR A 35 3.296 1.636 -10.346 1.00 0.00 C ATOM 589 O TYR A 35 3.849 0.893 -11.162 1.00 0.00 O ATOM 590 CB TYR A 35 0.802 1.898 -10.217 1.00 0.00 C ATOM 591 CG TYR A 35 0.605 1.471 -11.661 1.00 0.00 C ATOM 592 CD1 TYR A 35 -0.090 0.289 -11.956 1.00 0.00 C ATOM 593 CD2 TYR A 35 1.116 2.258 -12.704 1.00 0.00 C ATOM 594 CE1 TYR A 35 -0.273 -0.105 -13.287 1.00 0.00 C ATOM 595 CE2 TYR A 35 0.932 1.863 -14.035 1.00 0.00 C ATOM 596 CZ TYR A 35 0.238 0.683 -14.327 1.00 0.00 C ATOM 597 OH TYR A 35 0.057 0.295 -15.639 1.00 0.00 O ATOM 0 H TYR A 35 1.434 2.164 -7.855 1.00 0.00 H new ATOM 0 HA TYR A 35 1.914 0.113 -9.742 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -0.087 1.657 -9.634 1.00 0.00 H new ATOM 0 HB3 TYR A 35 0.935 2.979 -10.164 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.485 -0.318 -11.155 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.652 3.169 -12.480 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -0.808 -1.016 -13.512 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.326 2.470 -14.837 1.00 0.00 H new ATOM 0 HH TYR A 35 0.472 0.953 -16.235 1.00 0.00 H new ATOM 607 N ASP A 36 3.743 2.857 -10.042 1.00 0.00 N ATOM 608 CA ASP A 36 4.947 3.408 -10.666 1.00 0.00 C ATOM 609 C ASP A 36 6.182 2.566 -10.327 1.00 0.00 C ATOM 610 O ASP A 36 7.056 2.371 -11.176 1.00 0.00 O ATOM 611 CB ASP A 36 5.162 4.853 -10.200 1.00 0.00 C ATOM 612 CG ASP A 36 6.235 5.523 -11.060 1.00 0.00 C ATOM 613 OD1 ASP A 36 7.402 5.250 -10.835 1.00 0.00 O ATOM 614 OD2 ASP A 36 5.874 6.296 -11.934 1.00 0.00 O ATOM 0 H ASP A 36 3.292 3.479 -9.371 1.00 0.00 H new ATOM 0 HA ASP A 36 4.807 3.389 -11.747 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.228 5.410 -10.270 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.463 4.866 -9.152 1.00 0.00 H new ATOM 619 N ASP A 37 6.247 2.081 -9.078 1.00 0.00 N ATOM 620 CA ASP A 37 7.382 1.264 -8.618 1.00 0.00 C ATOM 621 C ASP A 37 6.898 0.099 -7.728 1.00 0.00 C ATOM 622 O ASP A 37 6.909 0.208 -6.496 1.00 0.00 O ATOM 623 CB ASP A 37 8.373 2.143 -7.829 1.00 0.00 C ATOM 624 CG ASP A 37 8.960 3.243 -8.724 1.00 0.00 C ATOM 625 OD1 ASP A 37 9.604 2.906 -9.706 1.00 0.00 O ATOM 626 OD2 ASP A 37 8.763 4.405 -8.408 1.00 0.00 O ATOM 0 H ASP A 37 5.530 2.239 -8.370 1.00 0.00 H new ATOM 0 HA ASP A 37 7.880 0.846 -9.493 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.866 2.594 -6.976 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.177 1.524 -7.431 1.00 0.00 H new ATOM 631 N PRO A 38 6.482 -1.014 -8.316 1.00 0.00 N ATOM 632 CA PRO A 38 5.994 -2.197 -7.531 1.00 0.00 C ATOM 633 C PRO A 38 7.078 -2.755 -6.608 1.00 0.00 C ATOM 634 O PRO A 38 6.781 -3.497 -5.670 1.00 0.00 O ATOM 635 CB PRO A 38 5.594 -3.223 -8.603 1.00 0.00 C ATOM 636 CG PRO A 38 6.301 -2.799 -9.847 1.00 0.00 C ATOM 637 CD PRO A 38 6.433 -1.280 -9.768 1.00 0.00 C ATOM 0 HA PRO A 38 5.167 -1.936 -6.871 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.887 -4.231 -8.310 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.514 -3.235 -8.751 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.281 -3.271 -9.918 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.740 -3.095 -10.733 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.334 -0.929 -10.271 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.588 -0.778 -10.240 1.00 0.00 H new ATOM 645 N SER A 39 8.330 -2.392 -6.896 1.00 0.00 N ATOM 646 CA SER A 39 9.473 -2.855 -6.107 1.00 0.00 C ATOM 647 C SER A 39 9.341 -2.465 -4.634 1.00 0.00 C ATOM 648 O SER A 39 9.817 -3.193 -3.759 1.00 0.00 O ATOM 649 CB SER A 39 10.771 -2.270 -6.671 1.00 0.00 C ATOM 650 OG SER A 39 10.915 -2.668 -8.030 1.00 0.00 O ATOM 0 H SER A 39 8.578 -1.778 -7.671 1.00 0.00 H new ATOM 0 HA SER A 39 9.495 -3.943 -6.171 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.755 -1.183 -6.598 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.623 -2.616 -6.086 1.00 0.00 H new ATOM 0 HG SER A 39 11.744 -2.294 -8.394 1.00 0.00 H new ATOM 656 N GLN A 40 8.711 -1.313 -4.366 1.00 0.00 N ATOM 657 CA GLN A 40 8.542 -0.837 -2.988 1.00 0.00 C ATOM 658 C GLN A 40 7.266 -1.393 -2.352 1.00 0.00 C ATOM 659 O GLN A 40 6.961 -1.058 -1.214 1.00 0.00 O ATOM 660 CB GLN A 40 8.478 0.700 -2.960 1.00 0.00 C ATOM 661 CG GLN A 40 9.760 1.294 -3.561 1.00 0.00 C ATOM 662 CD GLN A 40 9.798 2.820 -3.401 1.00 0.00 C ATOM 663 OE1 GLN A 40 10.795 3.450 -3.754 1.00 0.00 O ATOM 664 NE2 GLN A 40 8.775 3.459 -2.896 1.00 0.00 N ATOM 0 H GLN A 40 8.314 -0.700 -5.078 1.00 0.00 H new ATOM 0 HA GLN A 40 9.401 -1.189 -2.417 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.610 1.046 -3.522 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.353 1.048 -1.934 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.630 0.854 -3.074 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.822 1.036 -4.618 1.00 0.00 H new ATOM 0 HE21 GLN A 40 7.946 2.943 -2.602 1.00 0.00 H new ATOM 0 HE22 GLN A 40 8.806 4.474 -2.796 1.00 0.00 H new ATOM 673 N SER A 41 6.520 -2.227 -3.087 1.00 0.00 N ATOM 674 CA SER A 41 5.260 -2.796 -2.575 1.00 0.00 C ATOM 675 C SER A 41 5.393 -3.289 -1.131 1.00 0.00 C ATOM 676 O SER A 41 4.561 -2.964 -0.278 1.00 0.00 O ATOM 677 CB SER A 41 4.814 -3.955 -3.465 1.00 0.00 C ATOM 678 OG SER A 41 5.851 -4.931 -3.537 1.00 0.00 O ATOM 0 H SER A 41 6.762 -2.523 -4.033 1.00 0.00 H new ATOM 0 HA SER A 41 4.516 -2.000 -2.590 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.905 -4.405 -3.065 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.576 -3.589 -4.464 1.00 0.00 H new ATOM 0 HG SER A 41 6.386 -4.781 -4.344 1.00 0.00 H new ATOM 684 N ALA A 42 6.444 -4.062 -0.869 1.00 0.00 N ATOM 685 CA ALA A 42 6.682 -4.587 0.473 1.00 0.00 C ATOM 686 C ALA A 42 6.968 -3.447 1.452 1.00 0.00 C ATOM 687 O ALA A 42 6.527 -3.475 2.608 1.00 0.00 O ATOM 688 CB ALA A 42 7.871 -5.551 0.451 1.00 0.00 C ATOM 0 H ALA A 42 7.140 -4.337 -1.562 1.00 0.00 H new ATOM 0 HA ALA A 42 5.788 -5.117 0.800 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.043 -5.939 1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.656 -6.378 -0.226 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.761 -5.023 0.108 1.00 0.00 H new ATOM 694 N ASN A 43 7.715 -2.447 0.974 1.00 0.00 N ATOM 695 CA ASN A 43 8.076 -1.292 1.800 1.00 0.00 C ATOM 696 C ASN A 43 6.859 -0.420 2.090 1.00 0.00 C ATOM 697 O ASN A 43 6.615 -0.055 3.238 1.00 0.00 O ATOM 698 CB ASN A 43 9.130 -0.428 1.095 1.00 0.00 C ATOM 699 CG ASN A 43 10.430 -1.197 0.850 1.00 0.00 C ATOM 700 OD1 ASN A 43 10.595 -2.334 1.297 1.00 0.00 O ATOM 701 ND2 ASN A 43 11.375 -0.619 0.169 1.00 0.00 N ATOM 0 H ASN A 43 8.080 -2.414 0.022 1.00 0.00 H new ATOM 0 HA ASN A 43 8.478 -1.681 2.736 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.732 -0.075 0.143 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.339 0.454 1.700 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.256 -1.106 0.003 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.236 0.322 -0.200 1.00 0.00 H new ATOM 708 N LEU A 44 6.109 -0.083 1.033 1.00 0.00 N ATOM 709 CA LEU A 44 4.920 0.763 1.162 1.00 0.00 C ATOM 710 C LEU A 44 3.913 0.145 2.132 1.00 0.00 C ATOM 711 O LEU A 44 3.289 0.853 2.923 1.00 0.00 O ATOM 712 CB LEU A 44 4.248 0.949 -0.204 1.00 0.00 C ATOM 713 CG LEU A 44 5.195 1.617 -1.244 1.00 0.00 C ATOM 714 CD1 LEU A 44 4.389 2.010 -2.488 1.00 0.00 C ATOM 715 CD2 LEU A 44 5.867 2.874 -0.664 1.00 0.00 C ATOM 0 H LEU A 44 6.306 -0.385 0.079 1.00 0.00 H new ATOM 0 HA LEU A 44 5.241 1.730 1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.924 -0.021 -0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.353 1.560 -0.086 1.00 0.00 H new ATOM 0 HG LEU A 44 5.972 0.899 -1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.050 2.478 -3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.938 1.119 -2.926 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.605 2.713 -2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.521 3.316 -1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.102 3.596 -0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.454 2.601 0.213 1.00 0.00 H new ATOM 727 N LEU A 45 3.778 -1.184 2.073 1.00 0.00 N ATOM 728 CA LEU A 45 2.866 -1.899 2.965 1.00 0.00 C ATOM 729 C LEU A 45 3.318 -1.707 4.415 1.00 0.00 C ATOM 730 O LEU A 45 2.520 -1.331 5.279 1.00 0.00 O ATOM 731 CB LEU A 45 2.855 -3.386 2.581 1.00 0.00 C ATOM 732 CG LEU A 45 2.089 -4.228 3.628 1.00 0.00 C ATOM 733 CD1 LEU A 45 0.620 -3.783 3.693 1.00 0.00 C ATOM 734 CD2 LEU A 45 2.156 -5.713 3.240 1.00 0.00 C ATOM 0 H LEU A 45 4.286 -1.781 1.421 1.00 0.00 H new ATOM 0 HA LEU A 45 1.854 -1.506 2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.391 -3.508 1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.879 -3.750 2.496 1.00 0.00 H new ATOM 0 HG LEU A 45 2.549 -4.082 4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.091 -4.383 4.433 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.571 -2.731 3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.155 -3.919 2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.616 -6.307 3.978 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.702 -5.854 2.259 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.197 -6.034 3.208 1.00 0.00 H new ATOM 746 N ALA A 46 4.613 -1.937 4.659 1.00 0.00 N ATOM 747 CA ALA A 46 5.183 -1.755 6.000 1.00 0.00 C ATOM 748 C ALA A 46 5.044 -0.293 6.421 1.00 0.00 C ATOM 749 O ALA A 46 4.749 0.009 7.581 1.00 0.00 O ATOM 750 CB ALA A 46 6.661 -2.141 6.001 1.00 0.00 C ATOM 0 H ALA A 46 5.281 -2.247 3.953 1.00 0.00 H new ATOM 0 HA ALA A 46 4.646 -2.394 6.701 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.073 -2.002 7.001 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.764 -3.186 5.708 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.202 -1.511 5.295 1.00 0.00 H new ATOM 756 N GLU A 47 5.239 0.603 5.453 1.00 0.00 N ATOM 757 CA GLU A 47 5.113 2.035 5.692 1.00 0.00 C ATOM 758 C GLU A 47 3.673 2.359 6.089 1.00 0.00 C ATOM 759 O GLU A 47 3.436 3.213 6.949 1.00 0.00 O ATOM 760 CB GLU A 47 5.506 2.807 4.424 1.00 0.00 C ATOM 761 CG GLU A 47 7.039 2.853 4.281 1.00 0.00 C ATOM 762 CD GLU A 47 7.659 3.749 5.363 1.00 0.00 C ATOM 763 OE1 GLU A 47 7.333 4.925 5.396 1.00 0.00 O ATOM 764 OE2 GLU A 47 8.462 3.250 6.137 1.00 0.00 O ATOM 0 H GLU A 47 5.486 0.358 4.494 1.00 0.00 H new ATOM 0 HA GLU A 47 5.779 2.332 6.502 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.066 2.330 3.548 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.107 3.820 4.469 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.447 1.845 4.359 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.306 3.229 3.293 1.00 0.00 H new ATOM 771 N ALA A 48 2.718 1.646 5.478 1.00 0.00 N ATOM 772 CA ALA A 48 1.306 1.836 5.799 1.00 0.00 C ATOM 773 C ALA A 48 1.071 1.415 7.246 1.00 0.00 C ATOM 774 O ALA A 48 0.335 2.069 7.987 1.00 0.00 O ATOM 775 CB ALA A 48 0.425 1.005 4.858 1.00 0.00 C ATOM 0 H ALA A 48 2.899 0.939 4.765 1.00 0.00 H new ATOM 0 HA ALA A 48 1.042 2.886 5.671 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.624 1.159 5.111 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.599 1.316 3.828 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.673 -0.051 4.965 1.00 0.00 H new ATOM 781 N LYS A 49 1.742 0.328 7.640 1.00 0.00 N ATOM 782 CA LYS A 49 1.655 -0.181 9.006 1.00 0.00 C ATOM 783 C LYS A 49 2.226 0.854 9.979 1.00 0.00 C ATOM 784 O LYS A 49 1.692 1.056 11.073 1.00 0.00 O ATOM 785 CB LYS A 49 2.440 -1.506 9.119 1.00 0.00 C ATOM 786 CG LYS A 49 1.483 -2.703 8.999 1.00 0.00 C ATOM 787 CD LYS A 49 0.852 -2.995 10.368 1.00 0.00 C ATOM 788 CE LYS A 49 -0.437 -3.809 10.189 1.00 0.00 C ATOM 789 NZ LYS A 49 -0.843 -4.393 11.500 1.00 0.00 N ATOM 0 H LYS A 49 2.352 -0.215 7.028 1.00 0.00 H new ATOM 0 HA LYS A 49 0.611 -0.366 9.258 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.197 -1.556 8.336 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.965 -1.546 10.073 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.705 -2.488 8.267 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.023 -3.580 8.642 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.556 -3.546 10.992 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.633 -2.060 10.884 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.231 -3.171 9.801 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.280 -4.603 9.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.716 -4.945 11.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.087 -5.014 11.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.009 -3.628 12.184 1.00 0.00 H new ATOM 803 N LYS A 50 3.319 1.500 9.559 1.00 0.00 N ATOM 804 CA LYS A 50 3.982 2.515 10.374 1.00 0.00 C ATOM 805 C LYS A 50 3.043 3.689 10.640 1.00 0.00 C ATOM 806 O LYS A 50 2.829 4.077 11.792 1.00 0.00 O ATOM 807 CB LYS A 50 5.228 3.010 9.632 1.00 0.00 C ATOM 808 CG LYS A 50 6.084 3.887 10.558 1.00 0.00 C ATOM 809 CD LYS A 50 7.415 4.225 9.866 1.00 0.00 C ATOM 810 CE LYS A 50 7.203 5.310 8.801 1.00 0.00 C ATOM 811 NZ LYS A 50 8.469 5.508 8.038 1.00 0.00 N ATOM 0 H LYS A 50 3.762 1.335 8.655 1.00 0.00 H new ATOM 0 HA LYS A 50 4.264 2.077 11.331 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.813 2.160 9.281 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.933 3.579 8.750 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.548 4.804 10.805 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.273 3.366 11.496 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.140 4.568 10.605 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.830 3.329 9.404 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.399 5.019 8.125 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.900 6.244 9.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.338 6.266 7.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.232 5.770 8.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.721 4.626 7.549 1.00 0.00 H new ATOM 825 N LEU A 51 2.478 4.240 9.562 1.00 0.00 N ATOM 826 CA LEU A 51 1.550 5.366 9.672 1.00 0.00 C ATOM 827 C LEU A 51 0.285 4.934 10.414 1.00 0.00 C ATOM 828 O LEU A 51 -0.262 5.702 11.207 1.00 0.00 O ATOM 829 CB LEU A 51 1.206 5.898 8.274 1.00 0.00 C ATOM 830 CG LEU A 51 2.458 6.518 7.622 1.00 0.00 C ATOM 831 CD1 LEU A 51 2.144 6.896 6.169 1.00 0.00 C ATOM 832 CD2 LEU A 51 2.888 7.777 8.395 1.00 0.00 C ATOM 0 H LEU A 51 2.647 3.925 8.607 1.00 0.00 H new ATOM 0 HA LEU A 51 2.024 6.167 10.240 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.825 5.088 7.652 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.415 6.645 8.345 1.00 0.00 H new ATOM 0 HG LEU A 51 3.269 5.790 7.646 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.029 7.334 5.708 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.851 6.004 5.616 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.329 7.619 6.149 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.773 8.207 7.926 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.079 8.507 8.380 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.117 7.510 9.427 1.00 0.00 H new ATOM 844 N ASN A 52 -0.158 3.691 10.167 1.00 0.00 N ATOM 845 CA ASN A 52 -1.344 3.144 10.841 1.00 0.00 C ATOM 846 C ASN A 52 -1.118 3.155 12.352 1.00 0.00 C ATOM 847 O ASN A 52 -1.962 3.629 13.117 1.00 0.00 O ATOM 848 CB ASN A 52 -1.603 1.702 10.340 1.00 0.00 C ATOM 849 CG ASN A 52 -2.326 0.840 11.389 1.00 0.00 C ATOM 850 OD1 ASN A 52 -1.686 0.269 12.273 1.00 0.00 O ATOM 851 ND2 ASN A 52 -3.621 0.701 11.337 1.00 0.00 N ATOM 0 H ASN A 52 0.285 3.050 9.509 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.217 3.756 10.612 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.200 1.738 9.429 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.653 1.234 10.080 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.100 0.121 12.026 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.156 1.172 10.607 1.00 0.00 H new ATOM 858 N ASP A 53 0.040 2.640 12.764 1.00 0.00 N ATOM 859 CA ASP A 53 0.392 2.596 14.178 1.00 0.00 C ATOM 860 C ASP A 53 0.519 4.005 14.745 1.00 0.00 C ATOM 861 O ASP A 53 0.177 4.248 15.906 1.00 0.00 O ATOM 862 CB ASP A 53 1.719 1.853 14.358 1.00 0.00 C ATOM 863 CG ASP A 53 2.026 1.656 15.845 1.00 0.00 C ATOM 864 OD1 ASP A 53 1.516 0.703 16.416 1.00 0.00 O ATOM 865 OD2 ASP A 53 2.762 2.463 16.393 1.00 0.00 O ATOM 0 H ASP A 53 0.746 2.250 12.140 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.399 2.072 14.714 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.671 0.885 13.859 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.524 2.415 13.886 1.00 0.00 H new ATOM 870 N ALA A 54 1.051 4.917 13.929 1.00 0.00 N ATOM 871 CA ALA A 54 1.267 6.292 14.365 1.00 0.00 C ATOM 872 C ALA A 54 -0.045 7.073 14.522 1.00 0.00 C ATOM 873 O ALA A 54 -0.274 7.693 15.565 1.00 0.00 O ATOM 874 CB ALA A 54 2.176 7.014 13.363 1.00 0.00 C ATOM 0 H ALA A 54 1.338 4.727 12.969 1.00 0.00 H new ATOM 0 HA ALA A 54 1.740 6.249 15.346 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.336 8.041 13.691 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.135 6.499 13.304 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.705 7.016 12.380 1.00 0.00 H new ATOM 880 N GLN A 55 -0.891 7.061 13.482 1.00 0.00 N ATOM 881 CA GLN A 55 -2.165 7.799 13.524 1.00 0.00 C ATOM 882 C GLN A 55 -3.183 7.139 14.460 1.00 0.00 C ATOM 883 O GLN A 55 -4.116 7.802 14.923 1.00 0.00 O ATOM 884 CB GLN A 55 -2.755 7.947 12.110 1.00 0.00 C ATOM 885 CG GLN A 55 -1.829 8.823 11.257 1.00 0.00 C ATOM 886 CD GLN A 55 -2.085 8.541 9.786 1.00 0.00 C ATOM 887 OE1 GLN A 55 -2.437 9.441 9.026 1.00 0.00 O ATOM 888 NE2 GLN A 55 -1.930 7.326 9.343 1.00 0.00 N ATOM 0 H GLN A 55 -0.721 6.556 12.612 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.948 8.790 13.923 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.872 6.966 11.649 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.748 8.394 12.164 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.005 9.877 11.473 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.787 8.617 11.503 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.638 6.584 9.980 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.101 7.116 8.360 1.00 0.00 H new ATOM 897 N ALA A 56 -3.008 5.837 14.727 1.00 0.00 N ATOM 898 CA ALA A 56 -3.927 5.096 15.607 1.00 0.00 C ATOM 899 C ALA A 56 -4.048 5.771 16.986 1.00 0.00 C ATOM 900 O ALA A 56 -3.071 6.330 17.491 1.00 0.00 O ATOM 901 CB ALA A 56 -3.429 3.659 15.795 1.00 0.00 C ATOM 0 H ALA A 56 -2.244 5.277 14.350 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.909 5.092 15.133 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.115 3.119 16.447 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.381 3.161 14.827 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.436 3.674 16.245 1.00 0.00 H new ATOM 907 N PRO A 57 -5.223 5.728 17.597 1.00 0.00 N ATOM 908 CA PRO A 57 -5.462 6.349 18.941 1.00 0.00 C ATOM 909 C PRO A 57 -4.862 5.519 20.077 1.00 0.00 C ATOM 910 O PRO A 57 -4.823 4.289 20.002 1.00 0.00 O ATOM 911 CB PRO A 57 -6.988 6.398 19.043 1.00 0.00 C ATOM 912 CG PRO A 57 -7.461 5.245 18.225 1.00 0.00 C ATOM 913 CD PRO A 57 -6.452 5.083 17.086 1.00 0.00 C ATOM 0 HA PRO A 57 -4.990 7.327 19.033 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.318 6.311 20.078 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.380 7.341 18.662 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.516 4.338 18.827 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.462 5.430 17.834 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.282 4.032 16.851 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.803 5.562 16.172 1.00 0.00 H new ATOM 921 N LYS A 58 -4.405 6.212 21.122 1.00 0.00 N ATOM 922 CA LYS A 58 -3.804 5.566 22.291 1.00 0.00 C ATOM 923 C LYS A 58 -3.756 6.543 23.472 1.00 0.00 C ATOM 924 O LYS A 58 -4.268 6.200 24.526 1.00 0.00 O ATOM 925 CB LYS A 58 -2.379 5.084 21.950 1.00 0.00 C ATOM 926 CG LYS A 58 -2.349 3.549 21.870 1.00 0.00 C ATOM 927 CD LYS A 58 -1.075 3.069 21.148 1.00 0.00 C ATOM 928 CE LYS A 58 0.187 3.531 21.895 1.00 0.00 C ATOM 929 NZ LYS A 58 0.111 3.122 23.329 1.00 0.00 N ATOM 930 OXT LYS A 58 -3.206 7.620 23.302 1.00 0.00 O ATOM 0 H LYS A 58 -4.440 7.230 21.182 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.415 4.708 22.570 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.059 5.512 21.000 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.677 5.431 22.709 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.386 3.126 22.874 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.231 3.190 21.340 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.081 1.981 21.075 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.062 3.457 20.129 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.073 3.097 21.431 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.287 4.614 21.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.062 2.877 23.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.269 3.908 23.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.513 2.295 23.422 1.00 0.00 H new TER 944 LYS A 58