USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 580 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 8 GLN : amide:sc= 0.305 K(o=0.63,f=-2.6) USER MOD Set 1.2: A 53 LYS NZ :NH3+ -178:sc= 0.324 (180deg=0) USER MOD Set 2.1: A 18 HIS : no HE2:sc= 0.168 K(o=0.17,f=-1) USER MOD Set 2.2: A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 9 GLN : amide:sc= 1.25 K(o=1.3,f=-1.2) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 20 SER OG : rot -26:sc= 0.0815 USER MOD Single : A 21 GLN : amide:sc=-0.00352 X(o=-0.0035,f=-0.32) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 140:sc= 1.3 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 39 SER OG : rot 180:sc= 0.371 USER MOD Single : A 41 ASN : amide:sc= 0.0247 X(o=0.025,f=0) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.379 K(o=-0.38,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.059 7.736 -9.784 1.00 0.00 N ATOM 2 CA MET A 1 -7.811 6.300 -10.049 1.00 0.00 C ATOM 3 C MET A 1 -9.136 5.480 -10.157 1.00 0.00 C ATOM 4 O MET A 1 -10.066 5.636 -9.359 1.00 0.00 O ATOM 5 CB MET A 1 -6.861 5.760 -8.955 1.00 0.00 C ATOM 6 CG MET A 1 -6.346 4.333 -9.209 1.00 0.00 C ATOM 7 SD MET A 1 -5.054 3.952 -8.023 1.00 0.00 S ATOM 8 CE MET A 1 -4.678 2.264 -8.515 1.00 0.00 C ATOM 0 H1 MET A 1 -7.151 8.239 -9.721 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.625 8.139 -10.558 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.575 7.839 -8.887 1.00 0.00 H new ATOM 0 HA MET A 1 -7.333 6.187 -11.022 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.007 6.432 -8.869 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.381 5.781 -7.997 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.163 3.617 -9.117 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.960 4.248 -10.225 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.888 1.867 -7.877 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.571 1.648 -8.413 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.346 2.253 -9.553 1.00 0.00 H new ATOM 19 N LYS A 2 -9.175 4.540 -11.114 1.00 0.00 N ATOM 20 CA LYS A 2 -10.250 3.509 -11.177 1.00 0.00 C ATOM 21 C LYS A 2 -10.046 2.408 -10.084 1.00 0.00 C ATOM 22 O LYS A 2 -9.017 1.725 -10.057 1.00 0.00 O ATOM 23 CB LYS A 2 -10.232 2.934 -12.618 1.00 0.00 C ATOM 24 CG LYS A 2 -11.426 2.015 -12.942 1.00 0.00 C ATOM 25 CD LYS A 2 -11.371 1.404 -14.353 1.00 0.00 C ATOM 26 CE LYS A 2 -11.662 2.399 -15.477 1.00 0.00 C ATOM 27 NZ LYS A 2 -11.647 1.695 -16.774 1.00 0.00 N ATOM 0 H LYS A 2 -8.481 4.463 -11.858 1.00 0.00 H new ATOM 0 HA LYS A 2 -11.227 3.942 -10.964 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.220 3.761 -13.328 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.307 2.376 -12.764 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.463 1.210 -12.208 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.350 2.584 -12.838 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.383 0.972 -14.512 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.089 0.586 -14.411 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.632 2.870 -15.318 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -10.917 3.195 -15.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -11.845 2.372 -17.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -10.712 1.266 -16.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -12.374 0.951 -16.774 1.00 0.00 H new ATOM 40 N ALA A 3 -11.033 2.253 -9.192 1.00 0.00 N ATOM 41 CA ALA A 3 -10.918 1.348 -8.024 1.00 0.00 C ATOM 42 C ALA A 3 -10.970 -0.173 -8.372 1.00 0.00 C ATOM 43 O ALA A 3 -12.033 -0.737 -8.638 1.00 0.00 O ATOM 44 CB ALA A 3 -12.034 1.766 -7.051 1.00 0.00 C ATOM 0 H ALA A 3 -11.926 2.742 -9.251 1.00 0.00 H new ATOM 0 HA ALA A 3 -9.930 1.457 -7.577 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -12.001 1.132 -6.165 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -11.891 2.806 -6.758 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -13.002 1.657 -7.539 1.00 0.00 H new ATOM 50 N LEU A 4 -9.796 -0.815 -8.343 1.00 0.00 N ATOM 51 CA LEU A 4 -9.628 -2.247 -8.728 1.00 0.00 C ATOM 52 C LEU A 4 -10.406 -3.294 -7.877 1.00 0.00 C ATOM 53 O LEU A 4 -11.306 -3.973 -8.373 1.00 0.00 O ATOM 54 CB LEU A 4 -8.129 -2.533 -8.988 1.00 0.00 C ATOM 55 CG LEU A 4 -7.111 -2.616 -7.832 1.00 0.00 C ATOM 56 CD1 LEU A 4 -5.743 -3.024 -8.420 1.00 0.00 C ATOM 57 CD2 LEU A 4 -6.910 -1.314 -7.054 1.00 0.00 C ATOM 0 H LEU A 4 -8.926 -0.367 -8.053 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.155 -2.399 -9.670 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.076 -3.480 -9.525 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.773 -1.760 -9.669 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.516 -3.342 -7.127 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.007 -3.089 -7.618 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.832 -3.994 -8.910 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.423 -2.278 -9.147 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.177 -1.472 -6.263 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.552 -0.538 -7.730 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.858 -1.003 -6.614 1.00 0.00 H new ATOM 69 N THR A 5 -10.083 -3.349 -6.589 1.00 0.00 N ATOM 70 CA THR A 5 -11.020 -3.836 -5.537 1.00 0.00 C ATOM 71 C THR A 5 -10.906 -2.897 -4.281 1.00 0.00 C ATOM 72 O THR A 5 -9.823 -2.413 -3.934 1.00 0.00 O ATOM 73 CB THR A 5 -10.832 -5.326 -5.121 1.00 0.00 C ATOM 74 OG1 THR A 5 -9.502 -5.604 -4.716 1.00 0.00 O ATOM 75 CG2 THR A 5 -11.163 -6.333 -6.214 1.00 0.00 C ATOM 0 H THR A 5 -9.173 -3.063 -6.228 1.00 0.00 H new ATOM 0 HA THR A 5 -12.018 -3.797 -5.974 1.00 0.00 H new ATOM 0 HB THR A 5 -11.538 -5.442 -4.299 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.428 -6.548 -4.462 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.004 -7.344 -5.838 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.205 -6.217 -6.513 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.517 -6.161 -7.075 1.00 0.00 H new ATOM 83 N ALA A 6 -12.041 -2.640 -3.612 1.00 0.00 N ATOM 84 CA ALA A 6 -12.164 -1.545 -2.612 1.00 0.00 C ATOM 85 C ALA A 6 -11.120 -1.442 -1.456 1.00 0.00 C ATOM 86 O ALA A 6 -10.551 -0.364 -1.276 1.00 0.00 O ATOM 87 CB ALA A 6 -13.609 -1.600 -2.088 1.00 0.00 C ATOM 0 H ALA A 6 -12.899 -3.176 -3.741 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.919 -0.626 -3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.757 -0.815 -1.347 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.302 -1.453 -2.916 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.793 -2.571 -1.629 1.00 0.00 H new ATOM 93 N ARG A 7 -10.843 -2.518 -0.699 1.00 0.00 N ATOM 94 CA ARG A 7 -9.853 -2.456 0.418 1.00 0.00 C ATOM 95 C ARG A 7 -8.339 -2.505 0.028 1.00 0.00 C ATOM 96 O ARG A 7 -7.542 -1.921 0.765 1.00 0.00 O ATOM 97 CB ARG A 7 -10.288 -3.447 1.523 1.00 0.00 C ATOM 98 CG ARG A 7 -9.636 -3.153 2.897 1.00 0.00 C ATOM 99 CD ARG A 7 -10.506 -3.627 4.070 1.00 0.00 C ATOM 100 NE ARG A 7 -9.830 -3.366 5.364 1.00 0.00 N ATOM 101 CZ ARG A 7 -9.830 -2.216 6.032 1.00 0.00 C ATOM 102 NH1 ARG A 7 -10.446 -1.138 5.650 1.00 0.00 N ATOM 103 NH2 ARG A 7 -9.174 -2.164 7.138 1.00 0.00 N ATOM 0 H ARG A 7 -11.277 -3.432 -0.828 1.00 0.00 H new ATOM 0 HA ARG A 7 -9.887 -1.443 0.819 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -11.372 -3.412 1.628 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -10.030 -4.460 1.215 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -8.664 -3.644 2.947 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -9.458 -2.082 2.990 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -11.467 -3.114 4.047 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -10.711 -4.693 3.970 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.316 -4.142 5.781 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.978 -1.136 4.780 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.397 -0.294 6.220 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.676 -2.988 7.475 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.152 -1.299 7.677 1.00 0.00 H new ATOM 116 N GLN A 8 -7.921 -3.090 -1.116 1.00 0.00 N ATOM 117 CA GLN A 8 -6.579 -2.766 -1.705 1.00 0.00 C ATOM 118 C GLN A 8 -6.430 -1.331 -2.313 1.00 0.00 C ATOM 119 O GLN A 8 -5.371 -0.726 -2.148 1.00 0.00 O ATOM 120 CB GLN A 8 -6.044 -3.895 -2.609 1.00 0.00 C ATOM 121 CG GLN A 8 -6.624 -4.015 -4.024 1.00 0.00 C ATOM 122 CD GLN A 8 -6.072 -5.197 -4.809 1.00 0.00 C ATOM 123 OE1 GLN A 8 -5.158 -5.082 -5.616 1.00 0.00 O ATOM 124 NE2 GLN A 8 -6.611 -6.375 -4.628 1.00 0.00 N ATOM 0 H GLN A 8 -8.466 -3.770 -1.646 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.911 -2.720 -0.845 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -4.965 -3.769 -2.699 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -6.212 -4.842 -2.097 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.708 -4.108 -3.957 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.416 -3.096 -4.572 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -7.373 -6.490 -3.960 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.269 -7.179 -5.155 1.00 0.00 H new ATOM 133 N GLN A 9 -7.477 -0.753 -2.928 1.00 0.00 N ATOM 134 CA GLN A 9 -7.535 0.715 -3.194 1.00 0.00 C ATOM 135 C GLN A 9 -7.404 1.639 -1.931 1.00 0.00 C ATOM 136 O GLN A 9 -6.649 2.609 -1.992 1.00 0.00 O ATOM 137 CB GLN A 9 -8.810 0.995 -4.022 1.00 0.00 C ATOM 138 CG GLN A 9 -8.911 2.414 -4.627 1.00 0.00 C ATOM 139 CD GLN A 9 -7.836 2.765 -5.645 1.00 0.00 C ATOM 140 OE1 GLN A 9 -7.674 2.112 -6.668 1.00 0.00 O ATOM 141 NE2 GLN A 9 -7.060 3.787 -5.404 1.00 0.00 N ATOM 0 H GLN A 9 -8.296 -1.268 -3.253 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.644 0.986 -3.761 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.863 0.268 -4.833 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.679 0.827 -3.386 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.886 2.520 -5.102 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.871 3.141 -3.816 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.189 4.336 -4.554 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.325 4.037 -6.066 1.00 0.00 H new ATOM 150 N GLU A 10 -8.048 1.315 -0.795 1.00 0.00 N ATOM 151 CA GLU A 10 -7.725 1.937 0.521 1.00 0.00 C ATOM 152 C GLU A 10 -6.212 1.838 0.970 1.00 0.00 C ATOM 153 O GLU A 10 -5.649 2.854 1.380 1.00 0.00 O ATOM 154 CB GLU A 10 -8.626 1.348 1.637 1.00 0.00 C ATOM 155 CG GLU A 10 -10.121 1.702 1.541 1.00 0.00 C ATOM 156 CD GLU A 10 -10.935 1.106 2.680 1.00 0.00 C ATOM 157 OE1 GLU A 10 -11.368 -0.042 2.688 1.00 0.00 O ATOM 158 OE2 GLU A 10 -11.124 1.989 3.697 1.00 0.00 O ATOM 0 H GLU A 10 -8.798 0.625 -0.753 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.921 2.999 0.371 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.526 0.263 1.624 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.251 1.691 2.601 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.235 2.786 1.545 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.516 1.344 0.590 1.00 0.00 H new ATOM 166 N VAL A 11 -5.571 0.662 0.854 1.00 0.00 N ATOM 167 CA VAL A 11 -4.084 0.514 1.021 1.00 0.00 C ATOM 168 C VAL A 11 -3.244 1.430 0.054 1.00 0.00 C ATOM 169 O VAL A 11 -2.357 2.134 0.537 1.00 0.00 O ATOM 170 CB VAL A 11 -3.683 -1.001 0.947 1.00 0.00 C ATOM 171 CG1 VAL A 11 -2.163 -1.269 1.047 1.00 0.00 C ATOM 172 CG2 VAL A 11 -4.325 -1.839 2.079 1.00 0.00 C ATOM 0 H VAL A 11 -6.048 -0.215 0.644 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.827 0.881 2.015 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.048 -1.294 -0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.978 -2.341 0.987 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.650 -0.766 0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.788 -0.889 1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.015 -2.880 1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.002 -1.453 3.046 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.411 -1.775 2.008 1.00 0.00 H new ATOM 182 N PHE A 12 -3.544 1.465 -1.254 1.00 0.00 N ATOM 183 CA PHE A 12 -2.929 2.437 -2.202 1.00 0.00 C ATOM 184 C PHE A 12 -3.156 3.954 -1.877 1.00 0.00 C ATOM 185 O PHE A 12 -2.182 4.708 -1.851 1.00 0.00 O ATOM 186 CB PHE A 12 -3.397 2.052 -3.628 1.00 0.00 C ATOM 187 CG PHE A 12 -2.587 2.734 -4.738 1.00 0.00 C ATOM 188 CD1 PHE A 12 -1.312 2.262 -5.087 1.00 0.00 C ATOM 189 CD2 PHE A 12 -3.088 3.869 -5.391 1.00 0.00 C ATOM 190 CE1 PHE A 12 -0.563 2.911 -6.065 1.00 0.00 C ATOM 191 CE2 PHE A 12 -2.339 4.507 -6.383 1.00 0.00 C ATOM 192 CZ PHE A 12 -1.082 4.027 -6.718 1.00 0.00 C ATOM 0 H PHE A 12 -4.212 0.831 -1.692 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.847 2.353 -2.105 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.325 0.971 -3.747 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.449 2.315 -3.741 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.909 1.390 -4.594 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.061 4.254 -5.125 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.422 2.549 -6.318 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.739 5.374 -6.889 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.504 4.519 -7.486 1.00 0.00 H new ATOM 202 N ASP A 13 -4.395 4.385 -1.593 1.00 0.00 N ATOM 203 CA ASP A 13 -4.674 5.747 -1.064 1.00 0.00 C ATOM 204 C ASP A 13 -3.951 6.131 0.280 1.00 0.00 C ATOM 205 O ASP A 13 -3.511 7.275 0.392 1.00 0.00 O ATOM 206 CB ASP A 13 -6.203 5.940 -0.923 1.00 0.00 C ATOM 207 CG ASP A 13 -6.934 6.169 -2.233 1.00 0.00 C ATOM 208 OD1 ASP A 13 -7.566 5.301 -2.825 1.00 0.00 O ATOM 209 OD2 ASP A 13 -6.810 7.455 -2.669 1.00 0.00 O ATOM 0 H ASP A 13 -5.230 3.813 -1.719 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.248 6.429 -1.800 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.624 5.060 -0.436 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.390 6.788 -0.265 1.00 0.00 H new ATOM 215 N LEU A 14 -3.791 5.213 1.248 1.00 0.00 N ATOM 216 CA LEU A 14 -2.837 5.404 2.378 1.00 0.00 C ATOM 217 C LEU A 14 -1.323 5.476 1.976 1.00 0.00 C ATOM 218 O LEU A 14 -0.626 6.331 2.517 1.00 0.00 O ATOM 219 CB LEU A 14 -3.119 4.309 3.438 1.00 0.00 C ATOM 220 CG LEU A 14 -2.278 4.394 4.735 1.00 0.00 C ATOM 221 CD1 LEU A 14 -2.596 5.637 5.571 1.00 0.00 C ATOM 222 CD2 LEU A 14 -2.507 3.144 5.590 1.00 0.00 C ATOM 0 H LEU A 14 -4.303 4.331 1.280 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.018 6.395 2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.174 4.354 3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.949 3.334 2.980 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.235 4.463 4.426 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.976 5.641 6.467 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.392 6.532 4.984 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.647 5.623 5.858 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.912 3.212 6.501 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.563 3.070 5.851 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.210 2.259 5.027 1.00 0.00 H new ATOM 234 N ILE A 15 -0.811 4.637 1.061 1.00 0.00 N ATOM 235 CA ILE A 15 0.576 4.794 0.501 1.00 0.00 C ATOM 236 C ILE A 15 0.821 6.191 -0.188 1.00 0.00 C ATOM 237 O ILE A 15 1.834 6.825 0.111 1.00 0.00 O ATOM 238 CB ILE A 15 0.972 3.561 -0.387 1.00 0.00 C ATOM 239 CG1 ILE A 15 0.967 2.220 0.419 1.00 0.00 C ATOM 240 CG2 ILE A 15 2.385 3.701 -1.017 1.00 0.00 C ATOM 241 CD1 ILE A 15 0.824 0.969 -0.450 1.00 0.00 C ATOM 0 H ILE A 15 -1.322 3.839 0.683 1.00 0.00 H new ATOM 0 HA ILE A 15 1.265 4.799 1.345 1.00 0.00 H new ATOM 0 HB ILE A 15 0.214 3.540 -1.170 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.893 2.149 0.990 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.149 2.244 1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.604 2.819 -1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.415 4.589 -1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.129 3.793 -0.226 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.829 0.083 0.184 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.115 1.015 -1.002 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.656 0.917 -1.153 1.00 0.00 H new ATOM 253 N ARG A 16 -0.101 6.674 -1.034 1.00 0.00 N ATOM 254 CA ARG A 16 -0.081 8.069 -1.546 1.00 0.00 C ATOM 255 C ARG A 16 -0.228 9.204 -0.461 1.00 0.00 C ATOM 256 O ARG A 16 0.574 10.140 -0.461 1.00 0.00 O ATOM 257 CB ARG A 16 -1.172 8.246 -2.638 1.00 0.00 C ATOM 258 CG ARG A 16 -0.965 7.419 -3.921 1.00 0.00 C ATOM 259 CD ARG A 16 -1.857 7.858 -5.091 1.00 0.00 C ATOM 260 NE ARG A 16 -3.274 7.460 -4.905 1.00 0.00 N ATOM 261 CZ ARG A 16 -4.283 7.843 -5.671 1.00 0.00 C ATOM 262 NH1 ARG A 16 -4.188 8.716 -6.630 1.00 0.00 N ATOM 263 NH2 ARG A 16 -5.437 7.317 -5.450 1.00 0.00 N ATOM 0 H ARG A 16 -0.881 6.119 -1.386 1.00 0.00 H new ATOM 0 HA ARG A 16 0.921 8.199 -1.954 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.138 7.982 -2.208 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.222 9.300 -2.910 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.079 7.492 -4.225 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.160 6.369 -3.701 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.799 8.941 -5.202 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.479 7.422 -6.016 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.488 6.841 -4.123 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.290 9.155 -6.833 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.012 8.962 -7.179 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.550 6.630 -4.705 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.238 7.588 -6.020 1.00 0.00 H new ATOM 276 N ASP A 17 -1.218 9.119 0.441 1.00 0.00 N ATOM 277 CA ASP A 17 -1.382 10.091 1.558 1.00 0.00 C ATOM 278 C ASP A 17 -0.210 10.106 2.589 1.00 0.00 C ATOM 279 O ASP A 17 0.366 11.168 2.792 1.00 0.00 O ATOM 280 CB ASP A 17 -2.756 9.814 2.207 1.00 0.00 C ATOM 281 CG ASP A 17 -3.217 10.776 3.285 1.00 0.00 C ATOM 282 OD1 ASP A 17 -3.653 10.407 4.369 1.00 0.00 O ATOM 283 OD2 ASP A 17 -3.098 12.082 2.917 1.00 0.00 O ATOM 0 H ASP A 17 -1.927 8.385 0.427 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.347 11.102 1.151 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.507 9.805 1.418 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.732 8.812 2.635 1.00 0.00 H new ATOM 289 N HIS A 18 0.137 8.983 3.226 1.00 0.00 N ATOM 290 CA HIS A 18 1.217 8.927 4.258 1.00 0.00 C ATOM 291 C HIS A 18 2.642 9.376 3.788 1.00 0.00 C ATOM 292 O HIS A 18 3.281 10.131 4.522 1.00 0.00 O ATOM 293 CB HIS A 18 1.163 7.505 4.848 1.00 0.00 C ATOM 294 CG HIS A 18 1.816 7.316 6.219 1.00 0.00 C ATOM 295 ND1 HIS A 18 3.171 7.071 6.377 1.00 0.00 N ATOM 296 CD2 HIS A 18 1.156 7.229 7.464 1.00 0.00 C ATOM 297 CE1 HIS A 18 3.215 6.876 7.730 1.00 0.00 C ATOM 298 NE2 HIS A 18 2.061 6.930 8.455 1.00 0.00 N ATOM 0 H HIS A 18 -0.311 8.083 3.053 1.00 0.00 H new ATOM 0 HA HIS A 18 1.025 9.680 5.022 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.118 7.205 4.922 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.641 6.824 4.144 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.919 7.044 5.684 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.097 7.376 7.616 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.157 6.681 8.221 1.00 0.00 H new ATOM 306 N ILE A 19 3.102 9.028 2.573 1.00 0.00 N ATOM 307 CA ILE A 19 4.330 9.645 1.967 1.00 0.00 C ATOM 308 C ILE A 19 4.261 11.200 1.743 1.00 0.00 C ATOM 309 O ILE A 19 5.201 11.911 2.099 1.00 0.00 O ATOM 310 CB ILE A 19 4.738 8.782 0.726 1.00 0.00 C ATOM 311 CG1 ILE A 19 6.266 8.630 0.560 1.00 0.00 C ATOM 312 CG2 ILE A 19 4.053 9.117 -0.605 1.00 0.00 C ATOM 313 CD1 ILE A 19 7.079 9.852 0.161 1.00 0.00 C ATOM 0 H ILE A 19 2.655 8.327 1.982 1.00 0.00 H new ATOM 0 HA ILE A 19 5.146 9.609 2.689 1.00 0.00 H new ATOM 0 HB ILE A 19 4.328 7.807 0.991 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.666 8.259 1.504 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.443 7.856 -0.187 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.422 8.449 -1.383 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.975 8.992 -0.501 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.274 10.149 -0.878 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.132 9.580 0.087 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.731 10.222 -0.803 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.958 10.631 0.914 1.00 0.00 H new ATOM 325 N SER A 20 3.142 11.728 1.223 1.00 0.00 N ATOM 326 CA SER A 20 2.892 13.194 1.150 1.00 0.00 C ATOM 327 C SER A 20 2.605 13.984 2.492 1.00 0.00 C ATOM 328 O SER A 20 2.756 15.206 2.506 1.00 0.00 O ATOM 329 CB SER A 20 1.672 13.384 0.204 1.00 0.00 C ATOM 330 OG SER A 20 1.507 14.758 -0.151 1.00 0.00 O ATOM 0 H SER A 20 2.383 11.163 0.841 1.00 0.00 H new ATOM 0 HA SER A 20 3.834 13.623 0.809 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.810 12.786 -0.697 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.768 13.020 0.693 1.00 0.00 H new ATOM 0 HG SER A 20 1.889 15.325 0.551 1.00 0.00 H new ATOM 336 N GLN A 21 2.121 13.306 3.534 1.00 0.00 N ATOM 337 CA GLN A 21 1.556 13.935 4.767 1.00 0.00 C ATOM 338 C GLN A 21 2.425 13.692 6.045 1.00 0.00 C ATOM 339 O GLN A 21 2.674 14.636 6.793 1.00 0.00 O ATOM 340 CB GLN A 21 0.125 13.350 4.862 1.00 0.00 C ATOM 341 CG GLN A 21 -0.822 13.932 5.925 1.00 0.00 C ATOM 342 CD GLN A 21 -2.206 13.288 5.841 1.00 0.00 C ATOM 343 OE1 GLN A 21 -3.103 13.743 5.139 1.00 0.00 O ATOM 344 NE2 GLN A 21 -2.410 12.151 6.456 1.00 0.00 N ATOM 0 H GLN A 21 2.102 12.287 3.562 1.00 0.00 H new ATOM 0 HA GLN A 21 1.545 15.023 4.706 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.351 13.470 3.889 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.213 12.279 5.043 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.402 13.771 6.918 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.910 15.010 5.787 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.680 11.752 7.046 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -3.299 11.664 6.346 1.00 0.00 H new ATOM 353 N THR A 22 2.859 12.445 6.301 1.00 0.00 N ATOM 354 CA THR A 22 3.951 12.153 7.284 1.00 0.00 C ATOM 355 C THR A 22 5.396 12.263 6.673 1.00 0.00 C ATOM 356 O THR A 22 6.279 12.801 7.342 1.00 0.00 O ATOM 357 CB THR A 22 3.682 10.749 7.913 1.00 0.00 C ATOM 358 OG1 THR A 22 2.375 10.715 8.484 1.00 0.00 O ATOM 359 CG2 THR A 22 4.620 10.357 9.048 1.00 0.00 C ATOM 0 H THR A 22 2.479 11.614 5.848 1.00 0.00 H new ATOM 0 HA THR A 22 3.930 12.919 8.059 1.00 0.00 H new ATOM 0 HB THR A 22 3.825 10.058 7.082 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.212 9.831 8.875 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.351 9.367 9.417 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.647 10.342 8.683 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.534 11.081 9.858 1.00 0.00 H new ATOM 367 N GLY A 23 5.643 11.736 5.461 1.00 0.00 N ATOM 368 CA GLY A 23 6.994 11.728 4.837 1.00 0.00 C ATOM 369 C GLY A 23 7.542 10.362 4.366 1.00 0.00 C ATOM 370 O GLY A 23 8.217 10.290 3.339 1.00 0.00 O ATOM 0 H GLY A 23 4.922 11.304 4.883 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.974 12.399 3.978 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.700 12.147 5.553 1.00 0.00 H new ATOM 374 N MET A 24 7.312 9.307 5.148 1.00 0.00 N ATOM 375 CA MET A 24 7.835 7.946 4.878 1.00 0.00 C ATOM 376 C MET A 24 6.835 6.990 4.140 1.00 0.00 C ATOM 377 O MET A 24 5.625 7.127 4.340 1.00 0.00 O ATOM 378 CB MET A 24 8.330 7.360 6.230 1.00 0.00 C ATOM 379 CG MET A 24 7.271 7.064 7.304 1.00 0.00 C ATOM 380 SD MET A 24 8.104 6.632 8.842 1.00 0.00 S ATOM 381 CE MET A 24 6.660 6.350 9.876 1.00 0.00 C ATOM 0 H MET A 24 6.752 9.363 5.999 1.00 0.00 H new ATOM 0 HA MET A 24 8.657 8.030 4.167 1.00 0.00 H new ATOM 0 HB2 MET A 24 8.864 6.433 6.020 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.054 8.056 6.654 1.00 0.00 H new ATOM 0 HG2 MET A 24 6.632 7.934 7.453 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.626 6.246 6.982 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.980 6.069 10.879 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.065 7.262 9.927 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.058 5.548 9.449 1.00 0.00 H new ATOM 391 N PRO A 25 7.261 5.982 3.323 1.00 0.00 N ATOM 392 CA PRO A 25 6.310 4.977 2.739 1.00 0.00 C ATOM 393 C PRO A 25 5.758 3.955 3.793 1.00 0.00 C ATOM 394 O PRO A 25 6.571 3.292 4.451 1.00 0.00 O ATOM 395 CB PRO A 25 7.159 4.335 1.615 1.00 0.00 C ATOM 396 CG PRO A 25 8.620 4.492 2.082 1.00 0.00 C ATOM 397 CD PRO A 25 8.646 5.832 2.833 1.00 0.00 C ATOM 0 HA PRO A 25 5.386 5.419 2.366 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.900 3.286 1.475 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.994 4.835 0.661 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.919 3.669 2.730 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.308 4.498 1.236 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.363 5.818 3.654 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.930 6.654 2.176 1.00 0.00 H new ATOM 405 N PRO A 26 4.423 3.779 4.004 1.00 0.00 N ATOM 406 CA PRO A 26 3.894 3.013 5.181 1.00 0.00 C ATOM 407 C PRO A 26 3.990 1.471 5.074 1.00 0.00 C ATOM 408 O PRO A 26 3.323 0.828 4.260 1.00 0.00 O ATOM 409 CB PRO A 26 2.426 3.521 5.279 1.00 0.00 C ATOM 410 CG PRO A 26 2.067 3.921 3.837 1.00 0.00 C ATOM 411 CD PRO A 26 3.367 4.549 3.312 1.00 0.00 C ATOM 0 HA PRO A 26 4.492 3.193 6.075 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.760 2.744 5.654 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.342 4.368 5.960 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.768 3.058 3.242 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.239 4.629 3.810 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.448 4.459 2.229 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.424 5.612 3.548 1.00 0.00 H new ATOM 419 N THR A 27 4.808 0.883 5.950 1.00 0.00 N ATOM 420 CA THR A 27 4.996 -0.598 6.023 1.00 0.00 C ATOM 421 C THR A 27 3.907 -1.343 6.870 1.00 0.00 C ATOM 422 O THR A 27 2.921 -0.748 7.311 1.00 0.00 O ATOM 423 CB THR A 27 6.478 -0.844 6.434 1.00 0.00 C ATOM 424 OG1 THR A 27 6.866 -2.182 6.125 1.00 0.00 O ATOM 425 CG2 THR A 27 6.849 -0.614 7.893 1.00 0.00 C ATOM 0 H THR A 27 5.363 1.401 6.631 1.00 0.00 H new ATOM 0 HA THR A 27 4.827 -1.059 5.050 1.00 0.00 H new ATOM 0 HB THR A 27 7.005 -0.084 5.857 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.783 -2.185 5.778 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.909 -0.822 8.036 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.643 0.422 8.162 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.260 -1.277 8.527 1.00 0.00 H new ATOM 433 N ARG A 28 4.110 -2.650 7.094 1.00 0.00 N ATOM 434 CA ARG A 28 3.207 -3.553 7.877 1.00 0.00 C ATOM 435 C ARG A 28 2.417 -2.966 9.095 1.00 0.00 C ATOM 436 O ARG A 28 1.183 -3.000 9.096 1.00 0.00 O ATOM 437 CB ARG A 28 4.106 -4.771 8.242 1.00 0.00 C ATOM 438 CG ARG A 28 3.456 -5.927 9.023 1.00 0.00 C ATOM 439 CD ARG A 28 2.395 -6.682 8.225 1.00 0.00 C ATOM 440 NE ARG A 28 1.868 -7.777 9.068 1.00 0.00 N ATOM 441 CZ ARG A 28 0.760 -8.459 8.836 1.00 0.00 C ATOM 442 NH1 ARG A 28 -0.040 -8.252 7.832 1.00 0.00 N ATOM 443 NH2 ARG A 28 0.452 -9.396 9.662 1.00 0.00 N ATOM 0 H ARG A 28 4.929 -3.138 6.730 1.00 0.00 H new ATOM 0 HA ARG A 28 2.348 -3.802 7.254 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.513 -5.178 7.316 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.949 -4.403 8.826 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.232 -6.627 9.333 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.002 -5.531 9.932 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.590 -6.008 7.932 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.825 -7.083 7.307 1.00 0.00 H new ATOM 0 HE ARG A 28 2.405 -8.027 9.898 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.171 -7.519 7.155 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.878 -8.823 7.722 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.055 -9.590 10.461 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.395 -9.945 9.517 1.00 0.00 H new ATOM 456 N ALA A 29 3.121 -2.406 10.091 1.00 0.00 N ATOM 457 CA ALA A 29 2.480 -1.720 11.239 1.00 0.00 C ATOM 458 C ALA A 29 1.680 -0.410 10.927 1.00 0.00 C ATOM 459 O ALA A 29 0.611 -0.218 11.502 1.00 0.00 O ATOM 460 CB ALA A 29 3.587 -1.477 12.277 1.00 0.00 C ATOM 0 H ALA A 29 4.140 -2.412 10.130 1.00 0.00 H new ATOM 0 HA ALA A 29 1.690 -2.375 11.606 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.166 -0.972 13.146 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.014 -2.432 12.584 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.367 -0.855 11.838 1.00 0.00 H new ATOM 466 N GLU A 30 2.172 0.461 10.030 1.00 0.00 N ATOM 467 CA GLU A 30 1.401 1.647 9.556 1.00 0.00 C ATOM 468 C GLU A 30 0.114 1.328 8.705 1.00 0.00 C ATOM 469 O GLU A 30 -0.911 1.972 8.931 1.00 0.00 O ATOM 470 CB GLU A 30 2.335 2.603 8.776 1.00 0.00 C ATOM 471 CG GLU A 30 3.600 3.127 9.481 1.00 0.00 C ATOM 472 CD GLU A 30 3.398 4.005 10.700 1.00 0.00 C ATOM 473 OE1 GLU A 30 3.619 5.211 10.708 1.00 0.00 O ATOM 474 OE2 GLU A 30 2.976 3.296 11.785 1.00 0.00 O ATOM 0 H GLU A 30 3.099 0.375 9.612 1.00 0.00 H new ATOM 0 HA GLU A 30 1.023 2.120 10.462 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.650 2.091 7.867 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.745 3.466 8.468 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.202 2.268 9.779 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.185 3.689 8.753 1.00 0.00 H new ATOM 482 N ILE A 31 0.140 0.339 7.795 1.00 0.00 N ATOM 483 CA ILE A 31 -1.091 -0.146 7.089 1.00 0.00 C ATOM 484 C ILE A 31 -2.187 -0.721 8.067 1.00 0.00 C ATOM 485 O ILE A 31 -3.334 -0.271 7.999 1.00 0.00 O ATOM 486 CB ILE A 31 -0.745 -1.140 5.928 1.00 0.00 C ATOM 487 CG1 ILE A 31 0.291 -0.631 4.888 1.00 0.00 C ATOM 488 CG2 ILE A 31 -2.000 -1.615 5.151 1.00 0.00 C ATOM 489 CD1 ILE A 31 -0.035 0.652 4.130 1.00 0.00 C ATOM 0 H ILE A 31 0.993 -0.149 7.521 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.543 0.735 6.633 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.287 -1.967 6.470 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.239 -0.483 5.404 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.447 -1.423 4.155 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.700 -2.301 4.359 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.680 -2.124 5.834 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.504 -0.754 4.713 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.777 0.884 3.441 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.960 0.518 3.569 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.155 1.472 4.838 1.00 0.00 H new ATOM 501 N ALA A 32 -1.842 -1.664 8.963 1.00 0.00 N ATOM 502 CA ALA A 32 -2.787 -2.156 9.998 1.00 0.00 C ATOM 503 C ALA A 32 -3.295 -1.129 11.065 1.00 0.00 C ATOM 504 O ALA A 32 -4.489 -1.138 11.375 1.00 0.00 O ATOM 505 CB ALA A 32 -2.181 -3.418 10.624 1.00 0.00 C ATOM 0 H ALA A 32 -0.922 -2.102 8.996 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.721 -2.373 9.479 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.854 -3.803 11.390 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.038 -4.174 9.852 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.219 -3.174 11.075 1.00 0.00 H new ATOM 511 N GLN A 33 -2.426 -0.254 11.591 1.00 0.00 N ATOM 512 CA GLN A 33 -2.822 0.826 12.537 1.00 0.00 C ATOM 513 C GLN A 33 -3.720 1.962 11.946 1.00 0.00 C ATOM 514 O GLN A 33 -4.717 2.310 12.581 1.00 0.00 O ATOM 515 CB GLN A 33 -1.497 1.360 13.144 1.00 0.00 C ATOM 516 CG GLN A 33 -1.662 2.328 14.332 1.00 0.00 C ATOM 517 CD GLN A 33 -0.350 2.853 14.906 1.00 0.00 C ATOM 518 OE1 GLN A 33 0.738 2.740 14.351 1.00 0.00 O ATOM 519 NE2 GLN A 33 -0.410 3.492 16.044 1.00 0.00 N ATOM 0 H GLN A 33 -1.428 -0.266 11.380 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.485 0.406 13.293 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.897 0.510 13.469 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.935 1.866 12.359 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.269 3.175 14.013 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.213 1.821 15.124 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.304 3.598 16.523 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.437 3.885 16.454 1.00 0.00 H new ATOM 528 N ARG A 34 -3.376 2.553 10.790 1.00 0.00 N ATOM 529 CA ARG A 34 -4.154 3.684 10.209 1.00 0.00 C ATOM 530 C ARG A 34 -5.551 3.299 9.588 1.00 0.00 C ATOM 531 O ARG A 34 -6.525 4.013 9.825 1.00 0.00 O ATOM 532 CB ARG A 34 -3.307 4.445 9.158 1.00 0.00 C ATOM 533 CG ARG A 34 -1.977 5.068 9.610 1.00 0.00 C ATOM 534 CD ARG A 34 -2.094 6.139 10.697 1.00 0.00 C ATOM 535 NE ARG A 34 -0.785 6.800 10.925 1.00 0.00 N ATOM 536 CZ ARG A 34 0.219 6.320 11.642 1.00 0.00 C ATOM 537 NH1 ARG A 34 0.214 5.157 12.224 1.00 0.00 N ATOM 538 NH2 ARG A 34 1.269 7.056 11.758 1.00 0.00 N ATOM 0 H ARG A 34 -2.568 2.275 10.233 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.382 4.324 11.062 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.091 3.755 8.342 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.925 5.243 8.746 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.327 4.273 9.975 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.486 5.507 8.741 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.836 6.882 10.404 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.445 5.686 11.624 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.646 7.711 10.488 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.601 4.550 12.143 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.025 4.852 12.762 1.00 0.00 H new ATOM 0 HH21 ARG A 34 1.304 7.970 11.306 1.00 0.00 H new ATOM 0 HH22 ARG A 34 2.066 6.725 12.302 1.00 0.00 H new ATOM 551 N LEU A 35 -5.642 2.211 8.810 1.00 0.00 N ATOM 552 CA LEU A 35 -6.941 1.718 8.260 1.00 0.00 C ATOM 553 C LEU A 35 -7.790 0.745 9.160 1.00 0.00 C ATOM 554 O LEU A 35 -8.935 0.460 8.794 1.00 0.00 O ATOM 555 CB LEU A 35 -6.638 1.035 6.894 1.00 0.00 C ATOM 556 CG LEU A 35 -6.349 2.008 5.731 1.00 0.00 C ATOM 557 CD1 LEU A 35 -5.663 1.261 4.583 1.00 0.00 C ATOM 558 CD2 LEU A 35 -7.624 2.682 5.215 1.00 0.00 C ATOM 0 H LEU A 35 -4.837 1.645 8.539 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.577 2.600 8.184 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.780 0.374 7.017 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.487 0.408 6.622 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.691 2.788 6.114 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.462 1.954 3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.724 0.835 4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.314 0.462 4.229 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.373 3.358 4.397 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.318 1.922 4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.089 3.247 6.023 1.00 0.00 H new ATOM 570 N GLY A 36 -7.261 0.234 10.282 1.00 0.00 N ATOM 571 CA GLY A 36 -8.010 -0.675 11.184 1.00 0.00 C ATOM 572 C GLY A 36 -8.188 -2.124 10.706 1.00 0.00 C ATOM 573 O GLY A 36 -9.321 -2.586 10.553 1.00 0.00 O ATOM 0 H GLY A 36 -6.310 0.433 10.594 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.501 -0.694 12.148 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.999 -0.248 11.354 1.00 0.00 H new ATOM 577 N PHE A 37 -7.080 -2.846 10.505 1.00 0.00 N ATOM 578 CA PHE A 37 -7.128 -4.252 10.041 1.00 0.00 C ATOM 579 C PHE A 37 -7.176 -5.251 11.246 1.00 0.00 C ATOM 580 O PHE A 37 -6.159 -5.575 11.864 1.00 0.00 O ATOM 581 CB PHE A 37 -5.919 -4.566 9.122 1.00 0.00 C ATOM 582 CG PHE A 37 -6.048 -4.050 7.681 1.00 0.00 C ATOM 583 CD1 PHE A 37 -5.593 -2.781 7.287 1.00 0.00 C ATOM 584 CD2 PHE A 37 -6.595 -4.895 6.709 1.00 0.00 C ATOM 585 CE1 PHE A 37 -5.655 -2.389 5.947 1.00 0.00 C ATOM 586 CE2 PHE A 37 -6.671 -4.496 5.375 1.00 0.00 C ATOM 587 CZ PHE A 37 -6.198 -3.244 4.996 1.00 0.00 C ATOM 0 H PHE A 37 -6.137 -2.488 10.654 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.045 -4.380 9.466 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.022 -4.136 9.567 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.774 -5.646 9.094 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.192 -2.103 8.026 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.963 -5.869 6.996 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.280 -1.420 5.650 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.097 -5.159 4.636 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.253 -2.936 3.962 1.00 0.00 H new ATOM 597 N ARG A 38 -8.367 -5.790 11.503 1.00 0.00 N ATOM 598 CA ARG A 38 -8.544 -7.022 12.320 1.00 0.00 C ATOM 599 C ARG A 38 -8.078 -8.398 11.708 1.00 0.00 C ATOM 600 O ARG A 38 -8.083 -9.407 12.417 1.00 0.00 O ATOM 601 CB ARG A 38 -10.035 -7.080 12.758 1.00 0.00 C ATOM 602 CG ARG A 38 -11.115 -7.490 11.733 1.00 0.00 C ATOM 603 CD ARG A 38 -11.435 -6.482 10.624 1.00 0.00 C ATOM 604 NE ARG A 38 -10.632 -6.725 9.397 1.00 0.00 N ATOM 605 CZ ARG A 38 -10.504 -5.868 8.391 1.00 0.00 C ATOM 606 NH1 ARG A 38 -11.016 -4.675 8.370 1.00 0.00 N ATOM 607 NH2 ARG A 38 -9.825 -6.236 7.360 1.00 0.00 N ATOM 0 H ARG A 38 -9.243 -5.397 11.159 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.851 -6.917 13.155 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.102 -7.773 13.597 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.302 -6.094 13.137 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.801 -8.423 11.264 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.036 -7.701 12.276 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.496 -6.538 10.379 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.244 -5.472 10.987 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.143 -7.617 9.322 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.560 -4.340 9.165 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.874 -4.073 7.559 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.403 -7.164 7.332 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.709 -5.599 6.572 1.00 0.00 H new ATOM 620 N SER A 39 -7.730 -8.435 10.418 1.00 0.00 N ATOM 621 CA SER A 39 -7.497 -9.681 9.661 1.00 0.00 C ATOM 622 C SER A 39 -5.970 -9.884 9.385 1.00 0.00 C ATOM 623 O SER A 39 -5.433 -9.131 8.563 1.00 0.00 O ATOM 624 CB SER A 39 -8.308 -9.570 8.340 1.00 0.00 C ATOM 625 OG SER A 39 -9.716 -9.483 8.579 1.00 0.00 O ATOM 0 H SER A 39 -7.599 -7.593 9.858 1.00 0.00 H new ATOM 0 HA SER A 39 -7.825 -10.551 10.230 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.980 -8.690 7.786 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.100 -10.437 7.713 1.00 0.00 H new ATOM 0 HG SER A 39 -10.189 -9.413 7.724 1.00 0.00 H new ATOM 631 N PRO A 40 -5.236 -10.857 10.004 1.00 0.00 N ATOM 632 CA PRO A 40 -3.739 -10.977 9.855 1.00 0.00 C ATOM 633 C PRO A 40 -3.097 -10.984 8.450 1.00 0.00 C ATOM 634 O PRO A 40 -2.107 -10.282 8.241 1.00 0.00 O ATOM 635 CB PRO A 40 -3.420 -12.253 10.681 1.00 0.00 C ATOM 636 CG PRO A 40 -4.482 -12.230 11.800 1.00 0.00 C ATOM 637 CD PRO A 40 -5.750 -11.722 11.092 1.00 0.00 C ATOM 0 HA PRO A 40 -3.279 -10.051 10.201 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.496 -13.155 10.073 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.409 -12.227 11.086 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.633 -13.221 12.229 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.188 -11.571 12.617 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.344 -12.547 10.698 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.391 -11.165 11.775 1.00 0.00 H new ATOM 645 N ASN A 41 -3.649 -11.729 7.486 1.00 0.00 N ATOM 646 CA ASN A 41 -3.183 -11.683 6.073 1.00 0.00 C ATOM 647 C ASN A 41 -3.445 -10.322 5.317 1.00 0.00 C ATOM 648 O ASN A 41 -2.566 -9.873 4.582 1.00 0.00 O ATOM 649 CB ASN A 41 -3.831 -12.844 5.269 1.00 0.00 C ATOM 650 CG ASN A 41 -3.328 -14.231 5.628 1.00 0.00 C ATOM 651 OD1 ASN A 41 -3.688 -14.802 6.650 1.00 0.00 O ATOM 652 ND2 ASN A 41 -2.503 -14.835 4.812 1.00 0.00 N ATOM 0 H ASN A 41 -4.421 -12.376 7.647 1.00 0.00 H new ATOM 0 HA ASN A 41 -2.099 -11.785 6.130 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.910 -12.814 5.422 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.655 -12.673 4.207 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.166 -15.773 5.030 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.197 -14.368 3.958 1.00 0.00 H new ATOM 659 N ALA A 42 -4.630 -9.715 5.471 1.00 0.00 N ATOM 660 CA ALA A 42 -5.108 -8.603 4.615 1.00 0.00 C ATOM 661 C ALA A 42 -4.223 -7.331 4.452 1.00 0.00 C ATOM 662 O ALA A 42 -4.017 -6.911 3.313 1.00 0.00 O ATOM 663 CB ALA A 42 -6.514 -8.269 5.138 1.00 0.00 C ATOM 0 H ALA A 42 -5.295 -9.979 6.198 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.077 -8.962 3.586 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.935 -7.452 4.552 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.154 -9.147 5.049 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.452 -7.971 6.185 1.00 0.00 H new ATOM 669 N ALA A 43 -3.684 -6.740 5.530 1.00 0.00 N ATOM 670 CA ALA A 43 -2.815 -5.533 5.431 1.00 0.00 C ATOM 671 C ALA A 43 -1.551 -5.640 4.507 1.00 0.00 C ATOM 672 O ALA A 43 -1.334 -4.770 3.661 1.00 0.00 O ATOM 673 CB ALA A 43 -2.445 -5.138 6.870 1.00 0.00 C ATOM 0 H ALA A 43 -3.828 -7.070 6.484 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.390 -4.762 4.918 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.806 -4.255 6.852 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.353 -4.918 7.432 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.913 -5.961 7.348 1.00 0.00 H new ATOM 679 N GLU A 44 -0.762 -6.714 4.648 1.00 0.00 N ATOM 680 CA GLU A 44 0.382 -6.999 3.738 1.00 0.00 C ATOM 681 C GLU A 44 0.024 -7.751 2.416 1.00 0.00 C ATOM 682 O GLU A 44 0.603 -7.429 1.379 1.00 0.00 O ATOM 683 CB GLU A 44 1.449 -7.728 4.586 1.00 0.00 C ATOM 684 CG GLU A 44 2.858 -7.819 3.975 1.00 0.00 C ATOM 685 CD GLU A 44 3.571 -6.489 3.789 1.00 0.00 C ATOM 686 OE1 GLU A 44 3.999 -5.805 4.714 1.00 0.00 O ATOM 687 OE2 GLU A 44 3.670 -6.132 2.481 1.00 0.00 O ATOM 0 H GLU A 44 -0.887 -7.409 5.384 1.00 0.00 H new ATOM 0 HA GLU A 44 0.763 -6.055 3.349 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.525 -7.222 5.549 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.096 -8.740 4.784 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.472 -8.456 4.612 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.785 -8.312 3.006 1.00 0.00 H new ATOM 695 N GLU A 45 -0.905 -8.720 2.413 1.00 0.00 N ATOM 696 CA GLU A 45 -1.360 -9.395 1.158 1.00 0.00 C ATOM 697 C GLU A 45 -2.082 -8.481 0.105 1.00 0.00 C ATOM 698 O GLU A 45 -1.850 -8.670 -1.089 1.00 0.00 O ATOM 699 CB GLU A 45 -2.211 -10.613 1.590 1.00 0.00 C ATOM 700 CG GLU A 45 -2.469 -11.652 0.480 1.00 0.00 C ATOM 701 CD GLU A 45 -3.244 -12.866 0.978 1.00 0.00 C ATOM 702 OE1 GLU A 45 -2.852 -13.612 1.871 1.00 0.00 O ATOM 703 OE2 GLU A 45 -4.420 -13.038 0.318 1.00 0.00 O ATOM 0 H GLU A 45 -1.363 -9.063 3.257 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.477 -9.703 0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.712 -11.109 2.423 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.171 -10.254 1.961 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.023 -11.180 -0.331 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.515 -11.980 0.066 1.00 0.00 H new ATOM 711 N HIS A 46 -2.880 -7.480 0.517 1.00 0.00 N ATOM 712 CA HIS A 46 -3.296 -6.363 -0.382 1.00 0.00 C ATOM 713 C HIS A 46 -2.122 -5.486 -0.981 1.00 0.00 C ATOM 714 O HIS A 46 -2.193 -5.113 -2.150 1.00 0.00 O ATOM 715 CB HIS A 46 -4.276 -5.429 0.366 1.00 0.00 C ATOM 716 CG HIS A 46 -5.677 -5.962 0.675 1.00 0.00 C ATOM 717 ND1 HIS A 46 -6.413 -6.811 -0.145 1.00 0.00 N ATOM 718 CD2 HIS A 46 -6.444 -5.577 1.785 1.00 0.00 C ATOM 719 CE1 HIS A 46 -7.569 -6.885 0.584 1.00 0.00 C ATOM 720 NE2 HIS A 46 -7.679 -6.186 1.753 1.00 0.00 N ATOM 0 H HIS A 46 -3.255 -7.412 1.463 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.762 -6.857 -1.235 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.811 -5.143 1.310 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.387 -4.519 -0.224 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.112 -4.898 2.557 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.391 -7.493 0.237 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.454 -6.131 2.413 1.00 0.00 H new ATOM 728 N LEU A 47 -1.069 -5.199 -0.203 1.00 0.00 N ATOM 729 CA LEU A 47 0.205 -4.605 -0.724 1.00 0.00 C ATOM 730 C LEU A 47 0.944 -5.489 -1.793 1.00 0.00 C ATOM 731 O LEU A 47 1.297 -4.975 -2.856 1.00 0.00 O ATOM 732 CB LEU A 47 1.035 -4.234 0.532 1.00 0.00 C ATOM 733 CG LEU A 47 2.144 -3.175 0.370 1.00 0.00 C ATOM 734 CD1 LEU A 47 2.522 -2.632 1.765 1.00 0.00 C ATOM 735 CD2 LEU A 47 3.413 -3.715 -0.289 1.00 0.00 C ATOM 0 H LEU A 47 -1.060 -5.365 0.803 1.00 0.00 H new ATOM 0 HA LEU A 47 0.012 -3.711 -1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.345 -3.882 1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.495 -5.146 0.912 1.00 0.00 H new ATOM 0 HG LEU A 47 1.743 -2.399 -0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.306 -1.882 1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.645 -2.180 2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.882 -3.450 2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.149 -2.915 -0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.821 -4.524 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.175 -4.091 -1.284 1.00 0.00 H new ATOM 747 N LYS A 48 1.097 -6.808 -1.572 1.00 0.00 N ATOM 748 CA LYS A 48 1.483 -7.767 -2.649 1.00 0.00 C ATOM 749 C LYS A 48 0.521 -7.826 -3.904 1.00 0.00 C ATOM 750 O LYS A 48 1.022 -7.890 -5.026 1.00 0.00 O ATOM 751 CB LYS A 48 1.657 -9.197 -2.070 1.00 0.00 C ATOM 752 CG LYS A 48 2.997 -9.504 -1.383 1.00 0.00 C ATOM 753 CD LYS A 48 3.130 -8.960 0.041 1.00 0.00 C ATOM 754 CE LYS A 48 4.455 -9.333 0.720 1.00 0.00 C ATOM 755 NZ LYS A 48 4.488 -10.745 1.151 1.00 0.00 N ATOM 0 H LYS A 48 0.961 -7.244 -0.660 1.00 0.00 H new ATOM 0 HA LYS A 48 2.426 -7.372 -3.026 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.857 -9.373 -1.350 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.519 -9.912 -2.881 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.137 -10.585 -1.358 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.803 -9.092 -1.990 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.037 -7.874 0.016 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.304 -9.337 0.644 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.279 -9.147 0.031 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.611 -8.688 1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.402 -10.949 1.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.719 -10.919 1.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.366 -11.363 0.324 1.00 0.00 H new ATOM 768 N ALA A 49 -0.808 -7.794 -3.727 1.00 0.00 N ATOM 769 CA ALA A 49 -1.769 -7.650 -4.851 1.00 0.00 C ATOM 770 C ALA A 49 -1.645 -6.351 -5.719 1.00 0.00 C ATOM 771 O ALA A 49 -1.642 -6.456 -6.945 1.00 0.00 O ATOM 772 CB ALA A 49 -3.175 -7.820 -4.259 1.00 0.00 C ATOM 0 H ALA A 49 -1.253 -7.866 -2.812 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.533 -8.423 -5.583 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -3.918 -7.722 -5.051 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.260 -8.806 -3.802 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.347 -7.053 -3.503 1.00 0.00 H new ATOM 778 N LEU A 50 -1.474 -5.169 -5.111 1.00 0.00 N ATOM 779 CA LEU A 50 -1.085 -3.925 -5.836 1.00 0.00 C ATOM 780 C LEU A 50 0.271 -3.997 -6.649 1.00 0.00 C ATOM 781 O LEU A 50 0.316 -3.520 -7.785 1.00 0.00 O ATOM 782 CB LEU A 50 -1.009 -2.760 -4.813 1.00 0.00 C ATOM 783 CG LEU A 50 -2.325 -2.336 -4.127 1.00 0.00 C ATOM 784 CD1 LEU A 50 -1.988 -1.446 -2.922 1.00 0.00 C ATOM 785 CD2 LEU A 50 -3.260 -1.590 -5.081 1.00 0.00 C ATOM 0 H LEU A 50 -1.598 -5.036 -4.107 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.856 -3.771 -6.591 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.298 -3.039 -4.036 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.598 -1.889 -5.323 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.849 -3.236 -3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.910 -1.139 -2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.368 -2.004 -2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.447 -0.563 -3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.172 -1.312 -4.553 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.764 -0.691 -5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.510 -2.235 -5.923 1.00 0.00 H new ATOM 797 N ALA A 51 1.327 -4.610 -6.090 1.00 0.00 N ATOM 798 CA ALA A 51 2.541 -4.984 -6.859 1.00 0.00 C ATOM 799 C ALA A 51 2.358 -6.023 -8.022 1.00 0.00 C ATOM 800 O ALA A 51 2.961 -5.843 -9.080 1.00 0.00 O ATOM 801 CB ALA A 51 3.575 -5.465 -5.829 1.00 0.00 C ATOM 0 H ALA A 51 1.371 -4.861 -5.102 1.00 0.00 H new ATOM 0 HA ALA A 51 2.861 -4.098 -7.407 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.492 -5.754 -6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.790 -4.660 -5.127 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.177 -6.323 -5.287 1.00 0.00 H new ATOM 807 N ARG A 52 1.515 -7.053 -7.849 1.00 0.00 N ATOM 808 CA ARG A 52 1.117 -7.987 -8.945 1.00 0.00 C ATOM 809 C ARG A 52 0.427 -7.340 -10.198 1.00 0.00 C ATOM 810 O ARG A 52 0.763 -7.719 -11.320 1.00 0.00 O ATOM 811 CB ARG A 52 0.248 -9.086 -8.278 1.00 0.00 C ATOM 812 CG ARG A 52 -0.019 -10.323 -9.157 1.00 0.00 C ATOM 813 CD ARG A 52 -0.895 -11.351 -8.425 1.00 0.00 C ATOM 814 NE ARG A 52 -1.087 -12.517 -9.316 1.00 0.00 N ATOM 815 CZ ARG A 52 -1.839 -13.570 -9.057 1.00 0.00 C ATOM 816 NH1 ARG A 52 -2.525 -13.735 -7.963 1.00 0.00 N ATOM 817 NH2 ARG A 52 -1.892 -14.493 -9.954 1.00 0.00 N ATOM 0 H ARG A 52 1.084 -7.272 -6.951 1.00 0.00 H new ATOM 0 HA ARG A 52 2.022 -8.393 -9.396 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.739 -9.410 -7.360 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.708 -8.649 -7.991 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.510 -10.016 -10.081 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.928 -10.784 -9.437 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.420 -11.659 -7.493 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.857 -10.911 -8.162 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.595 -12.506 -10.209 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.503 -13.021 -7.235 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.085 -14.578 -7.834 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.365 -14.392 -10.822 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.461 -15.325 -9.797 1.00 0.00 H new ATOM 830 N LYS A 53 -0.480 -6.364 -10.023 1.00 0.00 N ATOM 831 CA LYS A 53 -0.954 -5.508 -11.147 1.00 0.00 C ATOM 832 C LYS A 53 0.082 -4.438 -11.711 1.00 0.00 C ATOM 833 O LYS A 53 -0.155 -3.913 -12.801 1.00 0.00 O ATOM 834 CB LYS A 53 -2.259 -4.763 -10.743 1.00 0.00 C ATOM 835 CG LYS A 53 -3.545 -5.609 -10.634 1.00 0.00 C ATOM 836 CD LYS A 53 -3.741 -6.250 -9.257 1.00 0.00 C ATOM 837 CE LYS A 53 -5.089 -6.956 -9.106 1.00 0.00 C ATOM 838 NZ LYS A 53 -5.196 -7.401 -7.705 1.00 0.00 N ATOM 0 H LYS A 53 -0.904 -6.141 -9.122 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.114 -6.217 -11.959 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.089 -4.280 -9.781 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.436 -3.971 -11.471 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.405 -4.978 -10.858 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.519 -6.393 -11.391 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.940 -6.968 -9.081 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.653 -5.481 -8.490 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.907 -6.281 -9.358 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.156 -7.806 -9.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.089 -7.917 -7.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.397 -8.027 -7.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.178 -6.573 -7.076 1.00 0.00 H new ATOM 851 N GLY A 54 1.169 -4.116 -10.993 1.00 0.00 N ATOM 852 CA GLY A 54 2.203 -3.161 -11.469 1.00 0.00 C ATOM 853 C GLY A 54 2.200 -1.707 -10.949 1.00 0.00 C ATOM 854 O GLY A 54 3.037 -0.931 -11.409 1.00 0.00 O ATOM 0 H GLY A 54 1.363 -4.504 -10.070 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.176 -3.590 -11.231 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.131 -3.118 -12.556 1.00 0.00 H new ATOM 858 N VAL A 55 1.318 -1.328 -10.015 1.00 0.00 N ATOM 859 CA VAL A 55 1.237 0.075 -9.496 1.00 0.00 C ATOM 860 C VAL A 55 2.177 0.445 -8.288 1.00 0.00 C ATOM 861 O VAL A 55 2.406 1.633 -8.047 1.00 0.00 O ATOM 862 CB VAL A 55 -0.270 0.442 -9.287 1.00 0.00 C ATOM 863 CG1 VAL A 55 -0.915 -0.110 -8.010 1.00 0.00 C ATOM 864 CG2 VAL A 55 -0.514 1.954 -9.420 1.00 0.00 C ATOM 0 H VAL A 55 0.642 -1.964 -9.592 1.00 0.00 H new ATOM 0 HA VAL A 55 1.668 0.720 -10.262 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.779 -0.075 -10.101 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.958 0.203 -7.965 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.863 -1.199 -8.017 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.383 0.273 -7.139 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.572 2.167 -9.268 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.074 2.485 -8.671 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.217 2.284 -10.415 1.00 0.00 H new ATOM 874 N ILE A 56 2.728 -0.527 -7.542 1.00 0.00 N ATOM 875 CA ILE A 56 3.805 -0.269 -6.542 1.00 0.00 C ATOM 876 C ILE A 56 4.994 -1.270 -6.734 1.00 0.00 C ATOM 877 O ILE A 56 4.801 -2.489 -6.749 1.00 0.00 O ATOM 878 CB ILE A 56 3.330 -0.246 -5.035 1.00 0.00 C ATOM 879 CG1 ILE A 56 2.627 -1.534 -4.561 1.00 0.00 C ATOM 880 CG2 ILE A 56 2.469 1.003 -4.763 1.00 0.00 C ATOM 881 CD1 ILE A 56 2.273 -1.584 -3.077 1.00 0.00 C ATOM 0 H ILE A 56 2.451 -1.507 -7.605 1.00 0.00 H new ATOM 0 HA ILE A 56 4.140 0.748 -6.747 1.00 0.00 H new ATOM 0 HB ILE A 56 4.240 -0.196 -4.437 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.712 -1.661 -5.139 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.270 -2.383 -4.792 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.149 1.005 -3.721 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.055 1.900 -4.964 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.593 0.989 -5.411 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.783 -2.531 -2.851 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.182 -1.495 -2.483 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.600 -0.761 -2.836 1.00 0.00 H new ATOM 893 N GLU A 57 6.231 -0.761 -6.815 1.00 0.00 N ATOM 894 CA GLU A 57 7.441 -1.618 -6.718 1.00 0.00 C ATOM 895 C GLU A 57 7.900 -1.721 -5.235 1.00 0.00 C ATOM 896 O GLU A 57 8.330 -0.742 -4.617 1.00 0.00 O ATOM 897 CB GLU A 57 8.521 -1.063 -7.674 1.00 0.00 C ATOM 898 CG GLU A 57 9.888 -1.786 -7.664 1.00 0.00 C ATOM 899 CD GLU A 57 9.863 -3.238 -8.114 1.00 0.00 C ATOM 900 OE1 GLU A 57 9.760 -3.568 -9.290 1.00 0.00 O ATOM 901 OE2 GLU A 57 9.958 -4.120 -7.074 1.00 0.00 O ATOM 0 H GLU A 57 6.429 0.231 -6.946 1.00 0.00 H new ATOM 0 HA GLU A 57 7.230 -2.640 -7.034 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.126 -1.094 -8.690 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.688 -0.014 -7.428 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.575 -1.236 -8.307 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.294 -1.744 -6.654 1.00 0.00 H new ATOM 909 N ILE A 58 7.845 -2.936 -4.690 1.00 0.00 N ATOM 910 CA ILE A 58 8.382 -3.245 -3.332 1.00 0.00 C ATOM 911 C ILE A 58 9.952 -3.350 -3.425 1.00 0.00 C ATOM 912 O ILE A 58 10.493 -4.001 -4.326 1.00 0.00 O ATOM 913 CB ILE A 58 7.727 -4.566 -2.766 1.00 0.00 C ATOM 914 CG1 ILE A 58 6.168 -4.508 -2.740 1.00 0.00 C ATOM 915 CG2 ILE A 58 8.229 -4.858 -1.326 1.00 0.00 C ATOM 916 CD1 ILE A 58 5.479 -5.857 -2.512 1.00 0.00 C ATOM 0 H ILE A 58 7.433 -3.741 -5.161 1.00 0.00 H new ATOM 0 HA ILE A 58 8.128 -2.448 -2.633 1.00 0.00 H new ATOM 0 HB ILE A 58 8.030 -5.362 -3.446 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.857 -3.820 -1.954 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.818 -4.092 -3.685 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.764 -5.772 -0.957 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.312 -4.980 -1.336 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.963 -4.027 -0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.398 -5.718 -2.510 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.754 -6.546 -3.311 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.794 -6.269 -1.553 1.00 0.00 H new ATOM 928 N VAL A 59 10.666 -2.689 -2.513 1.00 0.00 N ATOM 929 CA VAL A 59 12.162 -2.716 -2.483 1.00 0.00 C ATOM 930 C VAL A 59 12.644 -4.011 -1.743 1.00 0.00 C ATOM 931 O VAL A 59 12.368 -4.199 -0.554 1.00 0.00 O ATOM 932 CB VAL A 59 12.706 -1.408 -1.815 1.00 0.00 C ATOM 933 CG1 VAL A 59 14.249 -1.374 -1.699 1.00 0.00 C ATOM 934 CG2 VAL A 59 12.312 -0.123 -2.588 1.00 0.00 C ATOM 0 H VAL A 59 10.248 -2.122 -1.776 1.00 0.00 H new ATOM 0 HA VAL A 59 12.560 -2.747 -3.497 1.00 0.00 H new ATOM 0 HB VAL A 59 12.246 -1.426 -0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.558 -0.441 -1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.587 -2.215 -1.094 1.00 0.00 H new ATOM 0 HG13 VAL A 59 14.690 -1.442 -2.693 1.00 0.00 H new ATOM 0 HG21 VAL A 59 12.718 0.749 -2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 59 12.714 -0.169 -3.600 1.00 0.00 H new ATOM 0 HG23 VAL A 59 11.226 -0.044 -2.633 1.00 0.00 H new ATOM 944 N SER A 60 13.390 -4.877 -2.445 1.00 0.00 N ATOM 945 CA SER A 60 13.893 -6.160 -1.872 1.00 0.00 C ATOM 946 C SER A 60 15.134 -6.020 -0.919 1.00 0.00 C ATOM 947 O SER A 60 16.245 -6.464 -1.220 1.00 0.00 O ATOM 948 CB SER A 60 14.160 -7.094 -3.080 1.00 0.00 C ATOM 949 OG SER A 60 14.639 -8.371 -2.652 1.00 0.00 O ATOM 0 H SER A 60 13.666 -4.722 -3.415 1.00 0.00 H new ATOM 0 HA SER A 60 13.141 -6.577 -1.202 1.00 0.00 H new ATOM 0 HB2 SER A 60 13.242 -7.221 -3.654 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.891 -6.633 -3.745 1.00 0.00 H new ATOM 0 HG SER A 60 14.797 -8.940 -3.434 1.00 0.00 H new ATOM 955 N GLY A 61 14.884 -5.436 0.254 1.00 0.00 N ATOM 956 CA GLY A 61 15.923 -5.152 1.276 1.00 0.00 C ATOM 957 C GLY A 61 15.784 -3.818 2.048 1.00 0.00 C ATOM 958 O GLY A 61 16.799 -3.180 2.327 1.00 0.00 O ATOM 0 H GLY A 61 13.949 -5.140 0.535 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.922 -5.967 2.000 1.00 0.00 H new ATOM 0 HA3 GLY A 61 16.896 -5.163 0.785 1.00 0.00 H new ATOM 962 N ALA A 62 14.561 -3.413 2.417 1.00 0.00 N ATOM 963 CA ALA A 62 14.305 -2.147 3.143 1.00 0.00 C ATOM 964 C ALA A 62 12.950 -2.232 3.916 1.00 0.00 C ATOM 965 O ALA A 62 11.902 -2.489 3.317 1.00 0.00 O ATOM 966 CB ALA A 62 14.276 -0.986 2.130 1.00 0.00 C ATOM 0 H ALA A 62 13.716 -3.950 2.223 1.00 0.00 H new ATOM 0 HA ALA A 62 15.099 -1.974 3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 62 14.088 -0.050 2.655 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.235 -0.928 1.616 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.484 -1.159 1.401 1.00 0.00 H new ATOM 972 N SER A 63 12.968 -1.978 5.233 1.00 0.00 N ATOM 973 CA SER A 63 11.738 -2.045 6.081 1.00 0.00 C ATOM 974 C SER A 63 10.560 -1.087 5.684 1.00 0.00 C ATOM 975 O SER A 63 9.418 -1.542 5.594 1.00 0.00 O ATOM 976 CB SER A 63 12.140 -1.834 7.566 1.00 0.00 C ATOM 977 OG SER A 63 13.042 -2.846 8.016 1.00 0.00 O ATOM 0 H SER A 63 13.812 -1.724 5.746 1.00 0.00 H new ATOM 0 HA SER A 63 11.323 -3.038 5.910 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.604 -0.855 7.682 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.246 -1.839 8.190 1.00 0.00 H new ATOM 0 HG SER A 63 13.276 -2.682 8.953 1.00 0.00 H new ATOM 983 N ARG A 64 10.850 0.196 5.430 1.00 0.00 N ATOM 984 CA ARG A 64 9.907 1.128 4.758 1.00 0.00 C ATOM 985 C ARG A 64 10.448 1.446 3.321 1.00 0.00 C ATOM 986 O ARG A 64 11.198 2.405 3.115 1.00 0.00 O ATOM 987 CB ARG A 64 9.751 2.403 5.627 1.00 0.00 C ATOM 988 CG ARG A 64 8.845 2.199 6.857 1.00 0.00 C ATOM 989 CD ARG A 64 8.762 3.420 7.779 1.00 0.00 C ATOM 990 NE ARG A 64 9.930 3.502 8.688 1.00 0.00 N ATOM 991 CZ ARG A 64 10.958 4.325 8.571 1.00 0.00 C ATOM 992 NH1 ARG A 64 11.114 5.182 7.606 1.00 0.00 N ATOM 993 NH2 ARG A 64 11.868 4.265 9.482 1.00 0.00 N ATOM 0 H ARG A 64 11.741 0.626 5.680 1.00 0.00 H new ATOM 0 HA ARG A 64 8.919 0.681 4.650 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.736 2.729 5.961 1.00 0.00 H new ATOM 0 HB3 ARG A 64 9.341 3.205 5.012 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.841 1.944 6.518 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.214 1.348 7.430 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.705 4.327 7.177 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.846 3.370 8.367 1.00 0.00 H new ATOM 0 HE ARG A 64 9.942 2.861 9.481 1.00 0.00 H new ATOM 0 HH11 ARG A 64 10.413 5.253 6.868 1.00 0.00 H new ATOM 0 HH12 ARG A 64 11.937 5.784 7.587 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.776 3.602 10.251 1.00 0.00 H new ATOM 0 HH22 ARG A 64 12.680 4.881 9.433 1.00 0.00 H new ATOM 1006 N GLY A 65 10.056 0.621 2.341 1.00 0.00 N ATOM 1007 CA GLY A 65 10.526 0.765 0.941 1.00 0.00 C ATOM 1008 C GLY A 65 9.457 0.431 -0.108 1.00 0.00 C ATOM 1009 O GLY A 65 9.402 -0.697 -0.603 1.00 0.00 O ATOM 0 H GLY A 65 9.413 -0.158 2.484 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.867 1.788 0.785 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.388 0.115 0.788 1.00 0.00 H new ATOM 1013 N ILE A 66 8.625 1.420 -0.450 1.00 0.00 N ATOM 1014 CA ILE A 66 7.511 1.244 -1.427 1.00 0.00 C ATOM 1015 C ILE A 66 7.629 2.401 -2.490 1.00 0.00 C ATOM 1016 O ILE A 66 7.447 3.578 -2.166 1.00 0.00 O ATOM 1017 CB ILE A 66 6.086 1.259 -0.748 1.00 0.00 C ATOM 1018 CG1 ILE A 66 5.940 0.284 0.453 1.00 0.00 C ATOM 1019 CG2 ILE A 66 4.998 0.902 -1.797 1.00 0.00 C ATOM 1020 CD1 ILE A 66 4.748 0.602 1.359 1.00 0.00 C ATOM 0 H ILE A 66 8.692 2.364 -0.069 1.00 0.00 H new ATOM 0 HA ILE A 66 7.603 0.263 -1.894 1.00 0.00 H new ATOM 0 HB ILE A 66 5.960 2.270 -0.360 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.837 -0.733 0.074 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.854 0.312 1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.017 0.914 -1.322 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.019 1.633 -2.606 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.194 -0.092 -2.200 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.709 -0.119 2.175 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.859 1.607 1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.826 0.546 0.780 1.00 0.00 H new ATOM 1032 N ARG A 67 7.911 2.047 -3.745 1.00 0.00 N ATOM 1033 CA ARG A 67 8.007 3.023 -4.866 1.00 0.00 C ATOM 1034 C ARG A 67 6.663 3.099 -5.648 1.00 0.00 C ATOM 1035 O ARG A 67 6.230 2.115 -6.253 1.00 0.00 O ATOM 1036 CB ARG A 67 9.214 2.549 -5.709 1.00 0.00 C ATOM 1037 CG ARG A 67 9.508 3.273 -7.031 1.00 0.00 C ATOM 1038 CD ARG A 67 9.862 4.756 -6.892 1.00 0.00 C ATOM 1039 NE ARG A 67 10.366 5.273 -8.187 1.00 0.00 N ATOM 1040 CZ ARG A 67 9.640 5.795 -9.161 1.00 0.00 C ATOM 1041 NH1 ARG A 67 8.347 5.920 -9.137 1.00 0.00 N ATOM 1042 NH2 ARG A 67 10.268 6.203 -10.210 1.00 0.00 N ATOM 0 H ARG A 67 8.081 1.082 -4.027 1.00 0.00 H new ATOM 0 HA ARG A 67 8.173 4.048 -4.535 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.105 2.622 -5.085 1.00 0.00 H new ATOM 0 HB3 ARG A 67 9.068 1.492 -5.934 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.332 2.764 -7.531 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.636 3.182 -7.679 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.984 5.322 -6.581 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.618 4.888 -6.118 1.00 0.00 H new ATOM 0 HE ARG A 67 11.373 5.221 -8.342 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.819 5.603 -8.324 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.860 6.335 -9.931 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.283 6.116 -10.263 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.750 6.613 -10.987 1.00 0.00 H new ATOM 1055 N LEU A 68 6.021 4.274 -5.646 1.00 0.00 N ATOM 1056 CA LEU A 68 4.737 4.496 -6.367 1.00 0.00 C ATOM 1057 C LEU A 68 4.921 4.620 -7.919 1.00 0.00 C ATOM 1058 O LEU A 68 5.346 5.658 -8.432 1.00 0.00 O ATOM 1059 CB LEU A 68 4.074 5.789 -5.803 1.00 0.00 C ATOM 1060 CG LEU A 68 3.360 5.633 -4.442 1.00 0.00 C ATOM 1061 CD1 LEU A 68 3.196 7.009 -3.779 1.00 0.00 C ATOM 1062 CD2 LEU A 68 1.970 5.007 -4.611 1.00 0.00 C ATOM 0 H LEU A 68 6.364 5.098 -5.153 1.00 0.00 H new ATOM 0 HA LEU A 68 4.102 3.626 -6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.842 6.556 -5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.351 6.153 -6.533 1.00 0.00 H new ATOM 0 HG LEU A 68 3.972 4.979 -3.820 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.692 6.893 -2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.177 7.456 -3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.602 7.656 -4.425 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.493 4.910 -3.635 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.360 5.644 -5.252 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.068 4.021 -5.066 1.00 0.00 H new ATOM 1074 N LEU A 69 4.548 3.571 -8.656 1.00 0.00 N ATOM 1075 CA LEU A 69 4.493 3.600 -10.143 1.00 0.00 C ATOM 1076 C LEU A 69 3.079 4.112 -10.596 1.00 0.00 C ATOM 1077 O LEU A 69 2.151 3.347 -10.869 1.00 0.00 O ATOM 1078 CB LEU A 69 4.805 2.186 -10.685 1.00 0.00 C ATOM 1079 CG LEU A 69 6.218 1.620 -10.405 1.00 0.00 C ATOM 1080 CD1 LEU A 69 6.261 0.163 -10.892 1.00 0.00 C ATOM 1081 CD2 LEU A 69 7.330 2.411 -11.098 1.00 0.00 C ATOM 0 H LEU A 69 4.274 2.675 -8.253 1.00 0.00 H new ATOM 0 HA LEU A 69 5.238 4.285 -10.549 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.074 1.494 -10.266 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.652 2.196 -11.764 1.00 0.00 H new ATOM 0 HG LEU A 69 6.397 1.694 -9.332 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.250 -0.255 -10.703 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.512 -0.422 -10.357 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.051 0.130 -11.961 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.296 1.964 -10.862 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.174 2.390 -12.177 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.313 3.444 -10.750 1.00 0.00 H new ATOM 1093 N GLN A 70 2.927 5.443 -10.583 1.00 0.00 N ATOM 1094 CA GLN A 70 1.589 6.088 -10.577 1.00 0.00 C ATOM 1095 C GLN A 70 0.898 6.153 -11.969 1.00 0.00 C ATOM 1096 O GLN A 70 1.388 6.753 -12.928 1.00 0.00 O ATOM 1097 CB GLN A 70 1.774 7.468 -9.897 1.00 0.00 C ATOM 1098 CG GLN A 70 0.545 8.395 -9.782 1.00 0.00 C ATOM 1099 CD GLN A 70 -0.681 7.899 -9.035 1.00 0.00 C ATOM 1100 OE1 GLN A 70 -0.868 6.734 -8.700 1.00 0.00 O ATOM 1101 NE2 GLN A 70 -1.614 8.774 -8.775 1.00 0.00 N ATOM 0 H GLN A 70 3.707 6.101 -10.576 1.00 0.00 H new ATOM 0 HA GLN A 70 0.883 5.478 -10.013 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.156 7.295 -8.891 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.548 8.007 -10.443 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.872 9.318 -9.303 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.232 8.655 -10.793 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.486 9.750 -9.042 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -2.471 8.482 -8.305 1.00 0.00 H new ATOM 1110 N GLU A 71 -0.311 5.599 -12.007 1.00 0.00 N ATOM 1111 CA GLU A 71 -1.209 5.591 -13.195 1.00 0.00 C ATOM 1112 C GLU A 71 -1.932 6.927 -13.626 1.00 0.00 C ATOM 1113 O GLU A 71 -2.953 6.878 -14.314 1.00 0.00 O ATOM 1114 CB GLU A 71 -2.214 4.426 -12.922 1.00 0.00 C ATOM 1115 CG GLU A 71 -3.408 4.655 -11.967 1.00 0.00 C ATOM 1116 CD GLU A 71 -3.154 5.329 -10.631 1.00 0.00 C ATOM 1117 OE1 GLU A 71 -3.656 6.399 -10.303 1.00 0.00 O ATOM 1118 OE2 GLU A 71 -2.283 4.638 -9.850 1.00 0.00 O ATOM 0 H GLU A 71 -0.719 5.127 -11.200 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.582 5.458 -14.076 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.621 4.114 -13.884 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.640 3.585 -12.531 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.149 5.249 -12.501 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.862 3.684 -11.767 1.00 0.00 H new ATOM 1126 N GLU A 72 -1.411 8.094 -13.232 1.00 0.00 N ATOM 1127 CA GLU A 72 -2.021 9.413 -13.529 1.00 0.00 C ATOM 1128 C GLU A 72 -0.880 10.418 -13.873 1.00 0.00 C ATOM 1129 O GLU A 72 -0.038 10.813 -13.069 1.00 0.00 O ATOM 1130 CB GLU A 72 -2.825 9.927 -12.304 1.00 0.00 C ATOM 1131 CG GLU A 72 -4.189 9.241 -12.090 1.00 0.00 C ATOM 1132 CD GLU A 72 -4.863 9.670 -10.794 1.00 0.00 C ATOM 1133 OE1 GLU A 72 -5.400 10.762 -10.642 1.00 0.00 O ATOM 1134 OE2 GLU A 72 -4.784 8.715 -9.822 1.00 0.00 O ATOM 0 H GLU A 72 -0.547 8.160 -12.693 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.706 9.318 -14.371 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.221 9.790 -11.407 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.987 10.999 -12.418 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.844 9.473 -12.930 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.051 8.160 -12.083 1.00 0.00 H new TER 1142 GLU A 72