USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 688 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 33 TYR OH : rot -106:sc= -0.352 USER MOD Set 1.2: A 70 HIS : no HD1:sc= -4.36 K(o=-4.7,f=-18!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -155:sc= -0.087 (180deg=-0.676) USER MOD Single : A 4 LYS NZ :NH3+ -157:sc= 1.21 (180deg=0.675) USER MOD Single : A 11 HIS : no HD1:sc=-0.00883 X(o=-0.0088,f=-0.15) USER MOD Single : A 12 LYS NZ :NH3+ -162:sc= -1.14 (180deg=-1.42) USER MOD Single : A 19 ASN : amide:sc= -0.0745 K(o=-0.075,f=-0.78) USER MOD Single : A 23 LYS NZ :NH3+ 148:sc= 0.674 (180deg=-1.09) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 157:sc= -0.15 (180deg=-0.835) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.0195 X(o=-0.02,f=-0.27) USER MOD Single : A 36 THR OG1 : rot -60:sc= 0.953 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -104:sc= -0.098 (180deg=-2.35!) USER MOD Single : A 51 ASN : amide:sc= -0.34 K(o=-0.34,f=-9.7!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.304 X(o=-0.3,f=0) USER MOD Single : A 74 TYR OH : rot -117:sc= -0.249 USER MOD Single : A 76 GLN : amide:sc= -1.66 K(o=-1.7,f=-3!) USER MOD Single : A 78 THR OG1 : rot 110:sc= -1.07 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.946 5.032 5.727 1.00 0.00 N ATOM 2 CA MET A 1 -18.895 6.517 5.755 1.00 0.00 C ATOM 3 C MET A 1 -17.456 7.018 5.837 1.00 0.00 C ATOM 4 O MET A 1 -17.029 7.839 5.027 1.00 0.00 O ATOM 5 CB MET A 1 -19.694 7.009 6.962 1.00 0.00 C ATOM 6 CG MET A 1 -21.181 6.708 6.869 1.00 0.00 C ATOM 7 SD MET A 1 -22.014 6.828 8.465 1.00 0.00 S ATOM 8 CE MET A 1 -22.496 8.553 8.464 1.00 0.00 C ATOM 0 H1 MET A 1 -19.824 4.723 5.262 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.128 4.666 5.200 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.923 4.665 6.700 1.00 0.00 H new ATOM 0 HA MET A 1 -19.327 6.907 4.833 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.294 6.548 7.865 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.555 8.085 7.065 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.645 7.402 6.168 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.320 5.705 6.465 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.024 8.784 9.389 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.607 9.179 8.388 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.151 8.747 7.614 1.00 0.00 H new ATOM 20 N ASP A 2 -16.718 6.519 6.823 1.00 0.00 N ATOM 21 CA ASP A 2 -15.328 6.916 7.010 1.00 0.00 C ATOM 22 C ASP A 2 -14.421 6.220 6.001 1.00 0.00 C ATOM 23 O ASP A 2 -13.581 6.855 5.364 1.00 0.00 O ATOM 24 CB ASP A 2 -14.870 6.592 8.434 1.00 0.00 C ATOM 25 CG ASP A 2 -15.080 7.750 9.388 1.00 0.00 C ATOM 26 OD1 ASP A 2 -16.245 8.018 9.752 1.00 0.00 O ATOM 27 OD2 ASP A 2 -14.079 8.393 9.771 1.00 0.00 O ATOM 0 H ASP A 2 -17.059 5.840 7.504 1.00 0.00 H new ATOM 0 HA ASP A 2 -15.260 7.992 6.849 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -15.415 5.722 8.799 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.814 6.324 8.420 1.00 0.00 H new ATOM 32 N ARG A 3 -14.596 4.910 5.861 1.00 0.00 N ATOM 33 CA ARG A 3 -13.794 4.127 4.929 1.00 0.00 C ATOM 34 C ARG A 3 -14.427 4.113 3.542 1.00 0.00 C ATOM 35 O ARG A 3 -15.613 3.818 3.393 1.00 0.00 O ATOM 36 CB ARG A 3 -13.631 2.695 5.440 1.00 0.00 C ATOM 37 CG ARG A 3 -13.056 2.612 6.846 1.00 0.00 C ATOM 38 CD ARG A 3 -13.378 1.279 7.506 1.00 0.00 C ATOM 39 NE ARG A 3 -12.179 0.473 7.725 1.00 0.00 N ATOM 40 CZ ARG A 3 -11.266 0.741 8.656 1.00 0.00 C ATOM 41 NH1 ARG A 3 -11.413 1.788 9.458 1.00 0.00 N ATOM 42 NH2 ARG A 3 -10.202 -0.040 8.785 1.00 0.00 N ATOM 0 H ARG A 3 -15.286 4.369 6.381 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.812 4.594 4.856 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.602 2.200 5.424 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -12.982 2.146 4.758 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -11.975 2.747 6.806 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -13.457 3.425 7.452 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.874 1.457 8.460 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -14.078 0.725 6.881 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.033 -0.342 7.130 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -12.229 2.393 9.363 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -10.710 1.988 10.169 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -10.083 -0.846 8.171 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -9.502 0.165 9.498 1.00 0.00 H new ATOM 56 N LYS A 4 -13.628 4.435 2.528 1.00 0.00 N ATOM 57 CA LYS A 4 -14.110 4.460 1.152 1.00 0.00 C ATOM 58 C LYS A 4 -13.104 3.807 0.210 1.00 0.00 C ATOM 59 O LYS A 4 -13.467 2.971 -0.617 1.00 0.00 O ATOM 60 CB LYS A 4 -14.389 5.899 0.708 1.00 0.00 C ATOM 61 CG LYS A 4 -13.347 6.902 1.181 1.00 0.00 C ATOM 62 CD LYS A 4 -13.969 7.994 2.036 1.00 0.00 C ATOM 63 CE LYS A 4 -12.920 8.978 2.533 1.00 0.00 C ATOM 64 NZ LYS A 4 -12.258 8.504 3.780 1.00 0.00 N ATOM 0 H LYS A 4 -12.644 4.682 2.634 1.00 0.00 H new ATOM 0 HA LYS A 4 -15.039 3.892 1.111 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -14.441 5.930 -0.380 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -15.367 6.202 1.083 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.577 6.385 1.754 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.855 7.351 0.318 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.723 8.526 1.456 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.480 7.544 2.887 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.168 9.129 1.758 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.388 9.945 2.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.861 9.317 4.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.956 8.022 4.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.494 7.842 3.537 1.00 0.00 H new ATOM 78 N VAL A 5 -11.839 4.193 0.341 1.00 0.00 N ATOM 79 CA VAL A 5 -10.782 3.643 -0.500 1.00 0.00 C ATOM 80 C VAL A 5 -10.425 2.222 -0.075 1.00 0.00 C ATOM 81 O VAL A 5 -9.945 1.425 -0.881 1.00 0.00 O ATOM 82 CB VAL A 5 -9.512 4.515 -0.455 1.00 0.00 C ATOM 83 CG1 VAL A 5 -8.538 4.098 -1.546 1.00 0.00 C ATOM 84 CG2 VAL A 5 -9.870 5.988 -0.583 1.00 0.00 C ATOM 0 H VAL A 5 -11.521 4.884 1.021 1.00 0.00 H new ATOM 0 HA VAL A 5 -11.166 3.630 -1.520 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.026 4.366 0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.648 4.725 -1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.255 3.055 -1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.012 4.215 -2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -8.960 6.588 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.381 6.157 -1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.525 6.276 0.239 1.00 0.00 H new ATOM 94 N ALA A 6 -10.664 1.909 1.196 1.00 0.00 N ATOM 95 CA ALA A 6 -10.367 0.582 1.727 1.00 0.00 C ATOM 96 C ALA A 6 -11.055 -0.506 0.914 1.00 0.00 C ATOM 97 O ALA A 6 -10.454 -1.531 0.594 1.00 0.00 O ATOM 98 CB ALA A 6 -10.781 0.496 3.189 1.00 0.00 C ATOM 0 H ALA A 6 -11.062 2.556 1.877 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.291 0.422 1.654 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.554 -0.498 3.573 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.234 1.242 3.766 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.851 0.683 3.276 1.00 0.00 H new ATOM 104 N ARG A 7 -12.319 -0.276 0.581 1.00 0.00 N ATOM 105 CA ARG A 7 -13.092 -1.236 -0.199 1.00 0.00 C ATOM 106 C ARG A 7 -12.450 -1.464 -1.561 1.00 0.00 C ATOM 107 O ARG A 7 -12.147 -2.597 -1.940 1.00 0.00 O ATOM 108 CB ARG A 7 -14.530 -0.745 -0.374 1.00 0.00 C ATOM 109 CG ARG A 7 -15.521 -1.857 -0.679 1.00 0.00 C ATOM 110 CD ARG A 7 -16.820 -1.308 -1.247 1.00 0.00 C ATOM 111 NE ARG A 7 -17.991 -1.845 -0.557 1.00 0.00 N ATOM 112 CZ ARG A 7 -19.211 -1.323 -0.649 1.00 0.00 C ATOM 113 NH1 ARG A 7 -19.424 -0.249 -1.400 1.00 0.00 N ATOM 114 NH2 ARG A 7 -20.220 -1.873 0.011 1.00 0.00 N ATOM 0 H ARG A 7 -12.831 0.567 0.839 1.00 0.00 H new ATOM 0 HA ARG A 7 -13.105 -2.182 0.342 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -14.842 -0.231 0.535 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -14.559 -0.013 -1.181 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -15.078 -2.555 -1.390 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -15.730 -2.419 0.231 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -16.819 -0.221 -1.167 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -16.882 -1.550 -2.308 1.00 0.00 H new ATOM 0 HE ARG A 7 -17.865 -2.669 0.030 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -18.651 0.179 -1.909 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -20.361 0.148 -1.468 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -20.061 -2.697 0.590 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -21.155 -1.472 -0.060 1.00 0.00 H new ATOM 128 N GLU A 8 -12.237 -0.377 -2.289 1.00 0.00 N ATOM 129 CA GLU A 8 -11.620 -0.448 -3.607 1.00 0.00 C ATOM 130 C GLU A 8 -10.209 -1.015 -3.504 1.00 0.00 C ATOM 131 O GLU A 8 -9.739 -1.707 -4.407 1.00 0.00 O ATOM 132 CB GLU A 8 -11.584 0.940 -4.252 1.00 0.00 C ATOM 133 CG GLU A 8 -12.567 1.103 -5.400 1.00 0.00 C ATOM 134 CD GLU A 8 -11.989 1.896 -6.555 1.00 0.00 C ATOM 135 OE1 GLU A 8 -11.874 3.134 -6.425 1.00 0.00 O ATOM 136 OE2 GLU A 8 -11.650 1.282 -7.587 1.00 0.00 O ATOM 0 H GLU A 8 -12.483 0.566 -1.989 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.217 -1.111 -4.233 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.799 1.691 -3.491 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.576 1.136 -4.617 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.870 0.118 -5.756 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.466 1.601 -5.036 1.00 0.00 H new ATOM 143 N PHE A 9 -9.544 -0.720 -2.393 1.00 0.00 N ATOM 144 CA PHE A 9 -8.187 -1.202 -2.161 1.00 0.00 C ATOM 145 C PHE A 9 -8.150 -2.726 -2.164 1.00 0.00 C ATOM 146 O PHE A 9 -7.358 -3.336 -2.880 1.00 0.00 O ATOM 147 CB PHE A 9 -7.659 -0.667 -0.827 1.00 0.00 C ATOM 148 CG PHE A 9 -6.256 -1.102 -0.514 1.00 0.00 C ATOM 149 CD1 PHE A 9 -5.993 -2.400 -0.108 1.00 0.00 C ATOM 150 CD2 PHE A 9 -5.201 -0.211 -0.624 1.00 0.00 C ATOM 151 CE1 PHE A 9 -4.703 -2.803 0.181 1.00 0.00 C ATOM 152 CE2 PHE A 9 -3.910 -0.607 -0.336 1.00 0.00 C ATOM 153 CZ PHE A 9 -3.659 -1.906 0.067 1.00 0.00 C ATOM 0 H PHE A 9 -9.923 -0.149 -1.638 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.550 -0.839 -2.967 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.697 0.422 -0.842 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.320 -0.998 -0.026 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.806 -3.105 -0.016 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.390 0.805 -0.939 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.512 -3.818 0.496 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.096 0.098 -0.425 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.650 -2.218 0.292 1.00 0.00 H new ATOM 163 N ARG A 10 -9.016 -3.334 -1.360 1.00 0.00 N ATOM 164 CA ARG A 10 -9.088 -4.786 -1.271 1.00 0.00 C ATOM 165 C ARG A 10 -9.444 -5.393 -2.624 1.00 0.00 C ATOM 166 O ARG A 10 -8.939 -6.454 -2.992 1.00 0.00 O ATOM 167 CB ARG A 10 -10.122 -5.202 -0.223 1.00 0.00 C ATOM 168 CG ARG A 10 -9.906 -4.553 1.135 1.00 0.00 C ATOM 169 CD ARG A 10 -10.241 -5.509 2.270 1.00 0.00 C ATOM 170 NE ARG A 10 -10.289 -4.829 3.562 1.00 0.00 N ATOM 171 CZ ARG A 10 -11.302 -4.063 3.961 1.00 0.00 C ATOM 172 NH1 ARG A 10 -12.352 -3.875 3.171 1.00 0.00 N ATOM 173 NH2 ARG A 10 -11.265 -3.484 5.153 1.00 0.00 N ATOM 0 H ARG A 10 -9.678 -2.842 -0.760 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.108 -5.158 -0.971 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.118 -4.945 -0.585 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.094 -6.285 -0.107 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.869 -4.230 1.224 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.526 -3.660 1.215 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.203 -5.982 2.073 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.496 -6.304 2.306 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.499 -4.948 4.196 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.385 -4.319 2.253 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.125 -3.287 3.482 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.461 -3.626 5.764 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.041 -2.897 5.459 1.00 0.00 H new ATOM 187 N HIS A 11 -10.317 -4.713 -3.359 1.00 0.00 N ATOM 188 CA HIS A 11 -10.742 -5.183 -4.672 1.00 0.00 C ATOM 189 C HIS A 11 -9.586 -5.158 -5.668 1.00 0.00 C ATOM 190 O HIS A 11 -9.393 -6.101 -6.434 1.00 0.00 O ATOM 191 CB HIS A 11 -11.897 -4.325 -5.193 1.00 0.00 C ATOM 192 CG HIS A 11 -13.194 -4.574 -4.488 1.00 0.00 C ATOM 193 ND1 HIS A 11 -13.316 -5.427 -3.412 1.00 0.00 N ATOM 194 CD2 HIS A 11 -14.433 -4.074 -4.709 1.00 0.00 C ATOM 195 CE1 HIS A 11 -14.571 -5.443 -3.003 1.00 0.00 C ATOM 196 NE2 HIS A 11 -15.269 -4.630 -3.773 1.00 0.00 N ATOM 0 H HIS A 11 -10.744 -3.834 -3.067 1.00 0.00 H new ATOM 0 HA HIS A 11 -11.079 -6.214 -4.566 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -11.633 -3.273 -5.089 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -12.029 -4.516 -6.258 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -14.711 -3.369 -5.478 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -14.960 -6.023 -2.179 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -16.268 -4.445 -3.687 1.00 0.00 H new ATOM 205 N LYS A 12 -8.819 -4.071 -5.653 1.00 0.00 N ATOM 206 CA LYS A 12 -7.683 -3.923 -6.556 1.00 0.00 C ATOM 207 C LYS A 12 -6.583 -4.926 -6.227 1.00 0.00 C ATOM 208 O LYS A 12 -6.092 -5.635 -7.106 1.00 0.00 O ATOM 209 CB LYS A 12 -7.122 -2.502 -6.481 1.00 0.00 C ATOM 210 CG LYS A 12 -8.147 -1.424 -6.786 1.00 0.00 C ATOM 211 CD LYS A 12 -7.877 -0.162 -5.982 1.00 0.00 C ATOM 212 CE LYS A 12 -8.790 0.976 -6.410 1.00 0.00 C ATOM 213 NZ LYS A 12 -8.670 2.153 -5.506 1.00 0.00 N ATOM 0 H LYS A 12 -8.964 -3.280 -5.025 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.037 -4.117 -7.568 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.716 -2.333 -5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.292 -2.411 -7.182 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.127 -1.191 -7.851 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.147 -1.795 -6.560 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.022 -0.367 -4.921 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.837 0.137 -6.110 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.545 1.274 -7.429 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.823 0.629 -6.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.496 2.772 -5.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.625 1.829 -4.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.804 2.681 -5.737 1.00 0.00 H new ATOM 227 N VAL A 13 -6.196 -4.979 -4.956 1.00 0.00 N ATOM 228 CA VAL A 13 -5.146 -5.891 -4.510 1.00 0.00 C ATOM 229 C VAL A 13 -5.431 -7.323 -4.950 1.00 0.00 C ATOM 230 O VAL A 13 -4.560 -7.996 -5.501 1.00 0.00 O ATOM 231 CB VAL A 13 -4.988 -5.860 -2.978 1.00 0.00 C ATOM 232 CG1 VAL A 13 -3.781 -6.678 -2.546 1.00 0.00 C ATOM 233 CG2 VAL A 13 -4.876 -4.425 -2.478 1.00 0.00 C ATOM 0 H VAL A 13 -6.594 -4.401 -4.216 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.219 -5.551 -4.972 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.877 -6.306 -2.533 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.687 -6.643 -1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.909 -7.712 -2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.880 -6.266 -3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.765 -4.425 -1.394 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.007 -3.948 -2.932 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.776 -3.873 -2.751 1.00 0.00 H new ATOM 243 N ASP A 14 -6.652 -7.785 -4.706 1.00 0.00 N ATOM 244 CA ASP A 14 -7.043 -9.138 -5.081 1.00 0.00 C ATOM 245 C ASP A 14 -7.135 -9.275 -6.598 1.00 0.00 C ATOM 246 O ASP A 14 -6.899 -10.351 -7.150 1.00 0.00 O ATOM 247 CB ASP A 14 -8.385 -9.499 -4.441 1.00 0.00 C ATOM 248 CG ASP A 14 -8.437 -10.943 -3.984 1.00 0.00 C ATOM 249 OD1 ASP A 14 -8.254 -11.842 -4.832 1.00 0.00 O ATOM 250 OD2 ASP A 14 -8.661 -11.177 -2.778 1.00 0.00 O ATOM 0 H ASP A 14 -7.387 -7.243 -4.251 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.279 -9.826 -4.718 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.566 -8.844 -3.589 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.186 -9.318 -5.157 1.00 0.00 H new ATOM 255 N PHE A 15 -7.485 -8.182 -7.266 1.00 0.00 N ATOM 256 CA PHE A 15 -7.614 -8.179 -8.719 1.00 0.00 C ATOM 257 C PHE A 15 -6.254 -8.332 -9.398 1.00 0.00 C ATOM 258 O PHE A 15 -6.083 -9.178 -10.277 1.00 0.00 O ATOM 259 CB PHE A 15 -8.286 -6.887 -9.189 1.00 0.00 C ATOM 260 CG PHE A 15 -8.510 -6.833 -10.674 1.00 0.00 C ATOM 261 CD1 PHE A 15 -9.371 -7.726 -11.291 1.00 0.00 C ATOM 262 CD2 PHE A 15 -7.858 -5.889 -11.450 1.00 0.00 C ATOM 263 CE1 PHE A 15 -9.579 -7.678 -12.656 1.00 0.00 C ATOM 264 CE2 PHE A 15 -8.062 -5.837 -12.817 1.00 0.00 C ATOM 265 CZ PHE A 15 -8.923 -6.732 -13.420 1.00 0.00 C ATOM 0 H PHE A 15 -7.685 -7.285 -6.824 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.233 -9.031 -9.000 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -9.244 -6.780 -8.681 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.671 -6.038 -8.891 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.885 -8.468 -10.698 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.184 -5.187 -10.983 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.253 -8.379 -13.125 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.548 -5.097 -13.412 1.00 0.00 H new ATOM 0 HZ PHE A 15 -9.084 -6.693 -14.487 1.00 0.00 H new ATOM 275 N LEU A 16 -5.295 -7.505 -8.996 1.00 0.00 N ATOM 276 CA LEU A 16 -3.957 -7.550 -9.580 1.00 0.00 C ATOM 277 C LEU A 16 -3.104 -8.639 -8.940 1.00 0.00 C ATOM 278 O LEU A 16 -2.349 -9.330 -9.624 1.00 0.00 O ATOM 279 CB LEU A 16 -3.265 -6.193 -9.441 1.00 0.00 C ATOM 280 CG LEU A 16 -3.292 -5.589 -8.035 1.00 0.00 C ATOM 281 CD1 LEU A 16 -1.883 -5.477 -7.474 1.00 0.00 C ATOM 282 CD2 LEU A 16 -3.968 -4.226 -8.055 1.00 0.00 C ATOM 0 H LEU A 16 -5.417 -6.798 -8.271 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.069 -7.786 -10.638 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.226 -6.299 -9.754 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.735 -5.491 -10.130 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.867 -6.250 -7.387 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.923 -5.045 -6.474 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.431 -6.468 -7.424 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.283 -4.837 -8.122 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.979 -3.810 -7.047 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.419 -3.557 -8.718 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.991 -4.333 -8.414 1.00 0.00 H new ATOM 294 N ILE A 17 -3.226 -8.791 -7.627 1.00 0.00 N ATOM 295 CA ILE A 17 -2.460 -9.802 -6.904 1.00 0.00 C ATOM 296 C ILE A 17 -3.219 -11.122 -6.839 1.00 0.00 C ATOM 297 O ILE A 17 -2.892 -12.074 -7.548 1.00 0.00 O ATOM 298 CB ILE A 17 -2.108 -9.341 -5.475 1.00 0.00 C ATOM 299 CG1 ILE A 17 -1.659 -7.877 -5.479 1.00 0.00 C ATOM 300 CG2 ILE A 17 -1.022 -10.229 -4.885 1.00 0.00 C ATOM 301 CD1 ILE A 17 -1.260 -7.360 -4.115 1.00 0.00 C ATOM 0 H ILE A 17 -3.845 -8.230 -7.042 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.532 -9.948 -7.457 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.000 -9.425 -4.854 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.816 -7.767 -6.161 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.468 -7.259 -5.870 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.784 -9.891 -3.876 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.375 -11.260 -4.849 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.128 -10.173 -5.507 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.954 -6.317 -4.196 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.108 -7.437 -3.434 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.430 -7.953 -3.730 1.00 0.00 H new ATOM 313 N GLU A 18 -4.239 -11.171 -5.987 1.00 0.00 N ATOM 314 CA GLU A 18 -5.055 -12.374 -5.829 1.00 0.00 C ATOM 315 C GLU A 18 -4.296 -13.487 -5.100 1.00 0.00 C ATOM 316 O GLU A 18 -4.828 -14.580 -4.905 1.00 0.00 O ATOM 317 CB GLU A 18 -5.528 -12.882 -7.194 1.00 0.00 C ATOM 318 CG GLU A 18 -6.873 -13.588 -7.148 1.00 0.00 C ATOM 319 CD GLU A 18 -6.976 -14.714 -8.158 1.00 0.00 C ATOM 320 OE1 GLU A 18 -5.940 -15.351 -8.443 1.00 0.00 O ATOM 321 OE2 GLU A 18 -8.090 -14.958 -8.664 1.00 0.00 O ATOM 0 H GLU A 18 -4.522 -10.391 -5.394 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.918 -12.101 -5.222 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.592 -12.040 -7.883 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.781 -13.567 -7.596 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.035 -13.987 -6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.666 -12.864 -7.335 1.00 0.00 H new ATOM 328 N ASN A 19 -3.058 -13.210 -4.697 1.00 0.00 N ATOM 329 CA ASN A 19 -2.247 -14.198 -3.995 1.00 0.00 C ATOM 330 C ASN A 19 -2.304 -13.977 -2.487 1.00 0.00 C ATOM 331 O ASN A 19 -2.515 -12.857 -2.021 1.00 0.00 O ATOM 332 CB ASN A 19 -0.797 -14.135 -4.479 1.00 0.00 C ATOM 333 CG ASN A 19 -0.562 -14.983 -5.712 1.00 0.00 C ATOM 334 OD1 ASN A 19 -1.077 -16.095 -5.822 1.00 0.00 O ATOM 335 ND2 ASN A 19 0.221 -14.460 -6.650 1.00 0.00 N ATOM 0 H ASN A 19 -2.597 -12.312 -4.845 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.652 -15.186 -4.214 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.535 -13.100 -4.698 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.135 -14.469 -3.680 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.416 -14.985 -7.503 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.627 -13.534 -6.517 1.00 0.00 H new ATOM 342 N ASP A 20 -2.113 -15.050 -1.728 1.00 0.00 N ATOM 343 CA ASP A 20 -2.139 -14.971 -0.272 1.00 0.00 C ATOM 344 C ASP A 20 -0.794 -14.505 0.271 1.00 0.00 C ATOM 345 O ASP A 20 -0.732 -13.741 1.235 1.00 0.00 O ATOM 346 CB ASP A 20 -2.502 -16.331 0.329 1.00 0.00 C ATOM 347 CG ASP A 20 -3.468 -16.210 1.491 1.00 0.00 C ATOM 348 OD1 ASP A 20 -3.269 -15.315 2.338 1.00 0.00 O ATOM 349 OD2 ASP A 20 -4.425 -17.010 1.553 1.00 0.00 O ATOM 0 H ASP A 20 -1.938 -15.985 -2.097 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.898 -14.242 0.013 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.944 -16.960 -0.443 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.594 -16.831 0.666 1.00 0.00 H new ATOM 354 N ALA A 21 0.281 -14.966 -0.357 1.00 0.00 N ATOM 355 CA ALA A 21 1.628 -14.595 0.060 1.00 0.00 C ATOM 356 C ALA A 21 1.888 -13.115 -0.188 1.00 0.00 C ATOM 357 O ALA A 21 2.411 -12.410 0.675 1.00 0.00 O ATOM 358 CB ALA A 21 2.660 -15.445 -0.668 1.00 0.00 C ATOM 0 H ALA A 21 0.246 -15.598 -1.157 1.00 0.00 H new ATOM 0 HA ALA A 21 1.715 -14.779 1.131 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.661 -15.157 -0.347 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.493 -16.497 -0.437 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.566 -15.291 -1.743 1.00 0.00 H new ATOM 364 N GLU A 22 1.516 -12.653 -1.374 1.00 0.00 N ATOM 365 CA GLU A 22 1.703 -11.255 -1.744 1.00 0.00 C ATOM 366 C GLU A 22 0.852 -10.345 -0.863 1.00 0.00 C ATOM 367 O GLU A 22 1.259 -9.233 -0.525 1.00 0.00 O ATOM 368 CB GLU A 22 1.344 -11.041 -3.215 1.00 0.00 C ATOM 369 CG GLU A 22 2.457 -11.427 -4.176 1.00 0.00 C ATOM 370 CD GLU A 22 2.899 -12.866 -4.008 1.00 0.00 C ATOM 371 OE1 GLU A 22 3.806 -13.117 -3.186 1.00 0.00 O ATOM 372 OE2 GLU A 22 2.339 -13.744 -4.697 1.00 0.00 O ATOM 0 H GLU A 22 1.082 -13.226 -2.098 1.00 0.00 H new ATOM 0 HA GLU A 22 2.753 -11.001 -1.595 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.453 -11.623 -3.451 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.090 -9.992 -3.369 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.117 -11.272 -5.200 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.311 -10.768 -4.020 1.00 0.00 H new ATOM 379 N LYS A 23 -0.330 -10.826 -0.495 1.00 0.00 N ATOM 380 CA LYS A 23 -1.238 -10.058 0.349 1.00 0.00 C ATOM 381 C LYS A 23 -0.691 -9.944 1.767 1.00 0.00 C ATOM 382 O LYS A 23 -0.810 -8.898 2.406 1.00 0.00 O ATOM 383 CB LYS A 23 -2.624 -10.710 0.369 1.00 0.00 C ATOM 384 CG LYS A 23 -3.694 -9.882 -0.324 1.00 0.00 C ATOM 385 CD LYS A 23 -3.860 -10.294 -1.779 1.00 0.00 C ATOM 386 CE LYS A 23 -4.906 -11.385 -1.931 1.00 0.00 C ATOM 387 NZ LYS A 23 -6.238 -10.953 -1.423 1.00 0.00 N ATOM 0 H LYS A 23 -0.682 -11.744 -0.768 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.326 -9.055 -0.068 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.564 -11.687 -0.111 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.921 -10.881 1.404 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.643 -10.000 0.199 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.430 -8.826 -0.271 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.148 -9.427 -2.374 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.905 -10.646 -2.170 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.991 -11.663 -2.982 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.583 -12.275 -1.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.987 -11.411 -1.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.333 -11.225 -0.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.325 -9.920 -1.510 1.00 0.00 H new ATOM 401 N ASP A 24 -0.087 -11.022 2.254 1.00 0.00 N ATOM 402 CA ASP A 24 0.482 -11.036 3.595 1.00 0.00 C ATOM 403 C ASP A 24 1.681 -10.099 3.677 1.00 0.00 C ATOM 404 O ASP A 24 1.927 -9.477 4.711 1.00 0.00 O ATOM 405 CB ASP A 24 0.900 -12.456 3.983 1.00 0.00 C ATOM 406 CG ASP A 24 -0.193 -13.199 4.726 1.00 0.00 C ATOM 407 OD1 ASP A 24 -0.313 -13.006 5.954 1.00 0.00 O ATOM 408 OD2 ASP A 24 -0.930 -13.974 4.079 1.00 0.00 O ATOM 0 H ASP A 24 0.021 -11.897 1.740 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.280 -10.690 4.293 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.166 -13.012 3.084 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.793 -12.411 4.606 1.00 0.00 H new ATOM 413 N TYR A 25 2.419 -9.998 2.577 1.00 0.00 N ATOM 414 CA TYR A 25 3.591 -9.134 2.519 1.00 0.00 C ATOM 415 C TYR A 25 3.185 -7.666 2.611 1.00 0.00 C ATOM 416 O TYR A 25 3.704 -6.919 3.441 1.00 0.00 O ATOM 417 CB TYR A 25 4.368 -9.380 1.224 1.00 0.00 C ATOM 418 CG TYR A 25 5.849 -9.600 1.439 1.00 0.00 C ATOM 419 CD1 TYR A 25 6.324 -10.796 1.961 1.00 0.00 C ATOM 420 CD2 TYR A 25 6.771 -8.610 1.121 1.00 0.00 C ATOM 421 CE1 TYR A 25 7.678 -11.000 2.158 1.00 0.00 C ATOM 422 CE2 TYR A 25 8.124 -8.805 1.315 1.00 0.00 C ATOM 423 CZ TYR A 25 8.572 -10.002 1.834 1.00 0.00 C ATOM 424 OH TYR A 25 9.920 -10.201 2.028 1.00 0.00 O ATOM 0 H TYR A 25 2.226 -10.504 1.713 1.00 0.00 H new ATOM 0 HA TYR A 25 4.231 -9.371 3.369 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.949 -10.250 0.719 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.229 -8.528 0.559 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.626 -11.579 2.217 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.423 -7.672 0.715 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.033 -11.936 2.563 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.827 -8.025 1.062 1.00 0.00 H new ATOM 0 HH TYR A 25 10.412 -9.401 1.748 1.00 0.00 H new ATOM 434 N LEU A 26 2.250 -7.261 1.755 1.00 0.00 N ATOM 435 CA LEU A 26 1.776 -5.882 1.744 1.00 0.00 C ATOM 436 C LEU A 26 1.118 -5.527 3.075 1.00 0.00 C ATOM 437 O LEU A 26 1.179 -4.382 3.523 1.00 0.00 O ATOM 438 CB LEU A 26 0.796 -5.664 0.584 1.00 0.00 C ATOM 439 CG LEU A 26 -0.657 -6.061 0.862 1.00 0.00 C ATOM 440 CD1 LEU A 26 -1.441 -4.871 1.395 1.00 0.00 C ATOM 441 CD2 LEU A 26 -1.309 -6.609 -0.399 1.00 0.00 C ATOM 0 H LEU A 26 1.808 -7.866 1.063 1.00 0.00 H new ATOM 0 HA LEU A 26 2.634 -5.224 1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.819 -4.610 0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.150 -6.229 -0.278 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.663 -6.844 1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.471 -5.171 1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.986 -4.521 2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.428 -4.068 0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.341 -6.886 -0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.293 -5.847 -1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.761 -7.487 -0.740 1.00 0.00 H new ATOM 453 N TYR A 27 0.492 -6.517 3.703 1.00 0.00 N ATOM 454 CA TYR A 27 -0.172 -6.309 4.985 1.00 0.00 C ATOM 455 C TYR A 27 0.854 -6.045 6.082 1.00 0.00 C ATOM 456 O TYR A 27 0.622 -5.240 6.984 1.00 0.00 O ATOM 457 CB TYR A 27 -1.029 -7.525 5.346 1.00 0.00 C ATOM 458 CG TYR A 27 -2.476 -7.184 5.622 1.00 0.00 C ATOM 459 CD1 TYR A 27 -3.389 -7.055 4.583 1.00 0.00 C ATOM 460 CD2 TYR A 27 -2.930 -6.993 6.921 1.00 0.00 C ATOM 461 CE1 TYR A 27 -4.712 -6.743 4.830 1.00 0.00 C ATOM 462 CE2 TYR A 27 -4.252 -6.682 7.177 1.00 0.00 C ATOM 463 CZ TYR A 27 -5.138 -6.557 6.129 1.00 0.00 C ATOM 464 OH TYR A 27 -6.455 -6.247 6.379 1.00 0.00 O ATOM 0 H TYR A 27 0.431 -7.470 3.346 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.820 -5.437 4.898 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.983 -8.246 4.530 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.605 -8.010 6.225 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -3.059 -7.201 3.565 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.238 -7.089 7.745 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.409 -6.645 4.011 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.589 -6.538 8.193 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.591 -6.150 7.345 1.00 0.00 H new ATOM 474 N ASP A 28 1.990 -6.728 5.994 1.00 0.00 N ATOM 475 CA ASP A 28 3.056 -6.568 6.974 1.00 0.00 C ATOM 476 C ASP A 28 3.686 -5.183 6.862 1.00 0.00 C ATOM 477 O ASP A 28 4.026 -4.562 7.870 1.00 0.00 O ATOM 478 CB ASP A 28 4.124 -7.646 6.778 1.00 0.00 C ATOM 479 CG ASP A 28 4.575 -8.257 8.091 1.00 0.00 C ATOM 480 OD1 ASP A 28 4.888 -7.489 9.026 1.00 0.00 O ATOM 481 OD2 ASP A 28 4.619 -9.501 8.183 1.00 0.00 O ATOM 0 H ASP A 28 2.196 -7.398 5.253 1.00 0.00 H new ATOM 0 HA ASP A 28 2.624 -6.674 7.969 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.731 -8.430 6.131 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.984 -7.213 6.267 1.00 0.00 H new ATOM 486 N VAL A 29 3.832 -4.704 5.632 1.00 0.00 N ATOM 487 CA VAL A 29 4.417 -3.391 5.387 1.00 0.00 C ATOM 488 C VAL A 29 3.556 -2.289 5.997 1.00 0.00 C ATOM 489 O VAL A 29 4.046 -1.460 6.764 1.00 0.00 O ATOM 490 CB VAL A 29 4.585 -3.121 3.880 1.00 0.00 C ATOM 491 CG1 VAL A 29 5.377 -1.843 3.653 1.00 0.00 C ATOM 492 CG2 VAL A 29 5.256 -4.304 3.198 1.00 0.00 C ATOM 0 H VAL A 29 3.553 -5.205 4.789 1.00 0.00 H new ATOM 0 HA VAL A 29 5.400 -3.388 5.858 1.00 0.00 H new ATOM 0 HB VAL A 29 3.597 -2.991 3.439 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.486 -1.668 2.583 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.850 -1.003 4.106 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.363 -1.941 4.107 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.367 -4.096 2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.239 -4.469 3.640 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.644 -5.196 3.331 1.00 0.00 H new ATOM 502 N LEU A 30 2.272 -2.289 5.652 1.00 0.00 N ATOM 503 CA LEU A 30 1.343 -1.291 6.168 1.00 0.00 C ATOM 504 C LEU A 30 1.259 -1.369 7.689 1.00 0.00 C ATOM 505 O LEU A 30 1.315 -0.351 8.378 1.00 0.00 O ATOM 506 CB LEU A 30 -0.045 -1.488 5.557 1.00 0.00 C ATOM 507 CG LEU A 30 -0.278 -0.766 4.229 1.00 0.00 C ATOM 508 CD1 LEU A 30 -1.368 -1.458 3.428 1.00 0.00 C ATOM 509 CD2 LEU A 30 -0.638 0.692 4.474 1.00 0.00 C ATOM 0 H LEU A 30 1.852 -2.969 5.018 1.00 0.00 H new ATOM 0 HA LEU A 30 1.714 -0.305 5.890 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.211 -2.555 5.407 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.792 -1.147 6.274 1.00 0.00 H new ATOM 0 HG LEU A 30 0.645 -0.801 3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.519 -0.929 2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.071 -2.487 3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.297 -1.455 3.999 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.801 1.192 3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.548 0.747 5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.176 1.183 5.007 1.00 0.00 H new ATOM 521 N ARG A 31 1.127 -2.588 8.207 1.00 0.00 N ATOM 522 CA ARG A 31 1.039 -2.802 9.647 1.00 0.00 C ATOM 523 C ARG A 31 2.257 -2.218 10.353 1.00 0.00 C ATOM 524 O ARG A 31 2.150 -1.674 11.453 1.00 0.00 O ATOM 525 CB ARG A 31 0.921 -4.295 9.959 1.00 0.00 C ATOM 526 CG ARG A 31 0.544 -4.587 11.403 1.00 0.00 C ATOM 527 CD ARG A 31 1.659 -5.313 12.142 1.00 0.00 C ATOM 528 NE ARG A 31 1.302 -6.695 12.451 1.00 0.00 N ATOM 529 CZ ARG A 31 2.125 -7.559 13.042 1.00 0.00 C ATOM 530 NH1 ARG A 31 3.352 -7.189 13.386 1.00 0.00 N ATOM 531 NH2 ARG A 31 1.719 -8.798 13.288 1.00 0.00 N ATOM 0 H ARG A 31 1.079 -3.441 7.650 1.00 0.00 H new ATOM 0 HA ARG A 31 0.147 -2.293 10.012 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.173 -4.737 9.300 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.871 -4.781 9.735 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.317 -3.652 11.916 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.362 -5.192 11.427 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.564 -5.300 11.535 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.887 -4.782 13.066 1.00 0.00 H new ATOM 0 HE ARG A 31 0.368 -7.017 12.199 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.669 -6.238 13.198 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.978 -7.856 13.838 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.777 -9.088 13.024 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.349 -9.461 13.741 1.00 0.00 H new ATOM 545 N MET A 32 3.412 -2.328 9.709 1.00 0.00 N ATOM 546 CA MET A 32 4.652 -1.805 10.268 1.00 0.00 C ATOM 547 C MET A 32 4.747 -0.300 10.044 1.00 0.00 C ATOM 548 O MET A 32 5.311 0.427 10.862 1.00 0.00 O ATOM 549 CB MET A 32 5.858 -2.505 9.638 1.00 0.00 C ATOM 550 CG MET A 32 6.078 -3.918 10.155 1.00 0.00 C ATOM 551 SD MET A 32 7.667 -4.603 9.645 1.00 0.00 S ATOM 552 CE MET A 32 8.798 -3.527 10.526 1.00 0.00 C ATOM 0 H MET A 32 3.516 -2.775 8.798 1.00 0.00 H new ATOM 0 HA MET A 32 4.652 -1.999 11.341 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.724 -2.539 8.557 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.753 -1.913 9.830 1.00 0.00 H new ATOM 0 HG2 MET A 32 6.020 -3.916 11.243 1.00 0.00 H new ATOM 0 HG3 MET A 32 5.276 -4.562 9.794 1.00 0.00 H new ATOM 0 HE1 MET A 32 9.754 -4.033 10.657 1.00 0.00 H new ATOM 0 HE2 MET A 32 8.948 -2.611 9.955 1.00 0.00 H new ATOM 0 HE3 MET A 32 8.380 -3.282 11.502 1.00 0.00 H new ATOM 562 N TYR A 33 4.184 0.161 8.931 1.00 0.00 N ATOM 563 CA TYR A 33 4.197 1.577 8.595 1.00 0.00 C ATOM 564 C TYR A 33 3.446 2.387 9.648 1.00 0.00 C ATOM 565 O TYR A 33 3.775 3.543 9.910 1.00 0.00 O ATOM 566 CB TYR A 33 3.571 1.801 7.217 1.00 0.00 C ATOM 567 CG TYR A 33 3.485 3.255 6.810 1.00 0.00 C ATOM 568 CD1 TYR A 33 4.634 3.993 6.550 1.00 0.00 C ATOM 569 CD2 TYR A 33 2.256 3.891 6.686 1.00 0.00 C ATOM 570 CE1 TYR A 33 4.559 5.322 6.178 1.00 0.00 C ATOM 571 CE2 TYR A 33 2.173 5.219 6.315 1.00 0.00 C ATOM 572 CZ TYR A 33 3.327 5.930 6.062 1.00 0.00 C ATOM 573 OH TYR A 33 3.248 7.252 5.690 1.00 0.00 O ATOM 0 H TYR A 33 3.712 -0.429 8.246 1.00 0.00 H new ATOM 0 HA TYR A 33 5.233 1.914 8.572 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.154 1.260 6.472 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.569 1.373 7.210 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.601 3.520 6.640 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.350 3.337 6.883 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.461 5.882 5.979 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.209 5.698 6.224 1.00 0.00 H new ATOM 0 HH TYR A 33 3.009 7.797 6.468 1.00 0.00 H new ATOM 583 N HIS A 34 2.435 1.769 10.249 1.00 0.00 N ATOM 584 CA HIS A 34 1.637 2.430 11.275 1.00 0.00 C ATOM 585 C HIS A 34 2.430 2.579 12.570 1.00 0.00 C ATOM 586 O HIS A 34 2.425 3.640 13.194 1.00 0.00 O ATOM 587 CB HIS A 34 0.353 1.639 11.539 1.00 0.00 C ATOM 588 CG HIS A 34 -0.793 2.051 10.668 1.00 0.00 C ATOM 589 ND1 HIS A 34 -2.096 2.105 11.115 1.00 0.00 N ATOM 590 CD2 HIS A 34 -0.828 2.429 9.369 1.00 0.00 C ATOM 591 CE1 HIS A 34 -2.882 2.499 10.129 1.00 0.00 C ATOM 592 NE2 HIS A 34 -2.137 2.702 9.058 1.00 0.00 N ATOM 0 H HIS A 34 2.149 0.812 10.043 1.00 0.00 H new ATOM 0 HA HIS A 34 1.377 3.425 10.913 1.00 0.00 H new ATOM 0 HB2 HIS A 34 0.552 0.578 11.387 1.00 0.00 H new ATOM 0 HB3 HIS A 34 0.068 1.763 12.584 1.00 0.00 H new ATOM 0 HD2 HIS A 34 0.017 2.502 8.701 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.952 2.632 10.189 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -2.478 3.011 8.148 1.00 0.00 H new ATOM 601 N GLN A 35 3.110 1.509 12.968 1.00 0.00 N ATOM 602 CA GLN A 35 3.909 1.519 14.188 1.00 0.00 C ATOM 603 C GLN A 35 5.198 2.307 13.990 1.00 0.00 C ATOM 604 O GLN A 35 5.604 3.084 14.855 1.00 0.00 O ATOM 605 CB GLN A 35 4.234 0.089 14.623 1.00 0.00 C ATOM 606 CG GLN A 35 3.152 -0.546 15.482 1.00 0.00 C ATOM 607 CD GLN A 35 3.549 -0.646 16.942 1.00 0.00 C ATOM 608 OE1 GLN A 35 4.646 -1.102 17.269 1.00 0.00 O ATOM 609 NE2 GLN A 35 2.658 -0.220 17.828 1.00 0.00 N ATOM 0 H GLN A 35 3.124 0.623 12.463 1.00 0.00 H new ATOM 0 HA GLN A 35 3.324 2.005 14.969 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.389 -0.525 13.736 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.172 0.091 15.178 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.236 0.039 15.398 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.929 -1.543 15.101 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.762 0.150 17.512 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.869 -0.263 18.825 1.00 0.00 H new ATOM 618 N THR A 36 5.838 2.100 12.846 1.00 0.00 N ATOM 619 CA THR A 36 7.084 2.787 12.529 1.00 0.00 C ATOM 620 C THR A 36 6.820 4.225 12.094 1.00 0.00 C ATOM 621 O THR A 36 7.500 5.152 12.534 1.00 0.00 O ATOM 622 CB THR A 36 7.837 2.040 11.426 1.00 0.00 C ATOM 623 OG1 THR A 36 7.104 2.063 10.215 1.00 0.00 O ATOM 624 CG2 THR A 36 8.115 0.591 11.767 1.00 0.00 C ATOM 0 H THR A 36 5.514 1.460 12.121 1.00 0.00 H new ATOM 0 HA THR A 36 7.696 2.806 13.430 1.00 0.00 H new ATOM 0 HB THR A 36 8.789 2.561 11.322 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.236 1.629 10.350 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.651 0.120 10.943 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.722 0.540 12.671 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.173 0.069 11.933 1.00 0.00 H new ATOM 632 N MET A 37 5.827 4.401 11.229 1.00 0.00 N ATOM 633 CA MET A 37 5.470 5.726 10.732 1.00 0.00 C ATOM 634 C MET A 37 6.635 6.353 9.972 1.00 0.00 C ATOM 635 O MET A 37 7.113 7.433 10.327 1.00 0.00 O ATOM 636 CB MET A 37 5.049 6.631 11.892 1.00 0.00 C ATOM 637 CG MET A 37 3.586 6.485 12.276 1.00 0.00 C ATOM 638 SD MET A 37 2.545 7.767 11.552 1.00 0.00 S ATOM 639 CE MET A 37 0.917 7.184 12.014 1.00 0.00 C ATOM 0 H MET A 37 5.255 3.643 10.857 1.00 0.00 H new ATOM 0 HA MET A 37 4.631 5.618 10.045 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.668 6.407 12.760 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.243 7.669 11.621 1.00 0.00 H new ATOM 0 HG2 MET A 37 3.226 5.507 11.956 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.494 6.519 13.362 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.163 7.874 11.636 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.750 6.195 11.587 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.846 7.127 13.100 1.00 0.00 H new ATOM 649 N ASP A 38 7.086 5.673 8.925 1.00 0.00 N ATOM 650 CA ASP A 38 8.194 6.163 8.113 1.00 0.00 C ATOM 651 C ASP A 38 7.954 5.875 6.634 1.00 0.00 C ATOM 652 O ASP A 38 8.071 4.733 6.187 1.00 0.00 O ATOM 653 CB ASP A 38 9.507 5.520 8.563 1.00 0.00 C ATOM 654 CG ASP A 38 10.721 6.308 8.107 1.00 0.00 C ATOM 655 OD1 ASP A 38 10.953 7.409 8.650 1.00 0.00 O ATOM 656 OD2 ASP A 38 11.440 5.824 7.206 1.00 0.00 O ATOM 0 H ASP A 38 6.701 4.780 8.618 1.00 0.00 H new ATOM 0 HA ASP A 38 8.261 7.242 8.248 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.516 5.440 9.650 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.566 4.506 8.168 1.00 0.00 H new ATOM 661 N VAL A 39 7.618 6.917 5.880 1.00 0.00 N ATOM 662 CA VAL A 39 7.361 6.775 4.453 1.00 0.00 C ATOM 663 C VAL A 39 8.592 6.248 3.722 1.00 0.00 C ATOM 664 O VAL A 39 8.477 5.563 2.707 1.00 0.00 O ATOM 665 CB VAL A 39 6.942 8.116 3.821 1.00 0.00 C ATOM 666 CG1 VAL A 39 6.477 7.910 2.388 1.00 0.00 C ATOM 667 CG2 VAL A 39 5.855 8.782 4.652 1.00 0.00 C ATOM 0 H VAL A 39 7.518 7.868 6.234 1.00 0.00 H new ATOM 0 HA VAL A 39 6.544 6.060 4.350 1.00 0.00 H new ATOM 0 HB VAL A 39 7.810 8.775 3.805 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.185 8.869 1.959 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.289 7.481 1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.623 7.232 2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.572 9.728 4.190 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.984 8.128 4.703 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.229 8.968 5.659 1.00 0.00 H new ATOM 677 N ALA A 40 9.769 6.573 4.246 1.00 0.00 N ATOM 678 CA ALA A 40 11.022 6.134 3.643 1.00 0.00 C ATOM 679 C ALA A 40 11.102 4.611 3.588 1.00 0.00 C ATOM 680 O ALA A 40 11.355 4.031 2.531 1.00 0.00 O ATOM 681 CB ALA A 40 12.204 6.697 4.417 1.00 0.00 C ATOM 0 H ALA A 40 9.881 7.139 5.087 1.00 0.00 H new ATOM 0 HA ALA A 40 11.056 6.511 2.621 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.133 6.362 3.957 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.164 7.786 4.401 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.163 6.347 5.449 1.00 0.00 H new ATOM 687 N VAL A 41 10.887 3.971 4.732 1.00 0.00 N ATOM 688 CA VAL A 41 10.936 2.516 4.815 1.00 0.00 C ATOM 689 C VAL A 41 9.803 1.880 4.017 1.00 0.00 C ATOM 690 O VAL A 41 9.975 0.827 3.403 1.00 0.00 O ATOM 691 CB VAL A 41 10.853 2.032 6.274 1.00 0.00 C ATOM 692 CG1 VAL A 41 11.106 0.535 6.357 1.00 0.00 C ATOM 693 CG2 VAL A 41 11.839 2.795 7.145 1.00 0.00 C ATOM 0 H VAL A 41 10.677 4.437 5.615 1.00 0.00 H new ATOM 0 HA VAL A 41 11.893 2.209 4.392 1.00 0.00 H new ATOM 0 HB VAL A 41 9.847 2.227 6.645 1.00 0.00 H new ATOM 0 HG11 VAL A 41 11.043 0.212 7.396 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.357 0.006 5.767 1.00 0.00 H new ATOM 0 HG13 VAL A 41 12.099 0.312 5.967 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.767 2.440 8.173 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.852 2.633 6.776 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.606 3.859 7.111 1.00 0.00 H new ATOM 703 N LEU A 42 8.643 2.528 4.032 1.00 0.00 N ATOM 704 CA LEU A 42 7.476 2.028 3.313 1.00 0.00 C ATOM 705 C LEU A 42 7.774 1.878 1.824 1.00 0.00 C ATOM 706 O LEU A 42 7.377 0.897 1.198 1.00 0.00 O ATOM 707 CB LEU A 42 6.287 2.970 3.514 1.00 0.00 C ATOM 708 CG LEU A 42 4.948 2.443 2.995 1.00 0.00 C ATOM 709 CD1 LEU A 42 4.339 1.466 3.990 1.00 0.00 C ATOM 710 CD2 LEU A 42 3.994 3.595 2.723 1.00 0.00 C ATOM 0 H LEU A 42 8.485 3.401 4.535 1.00 0.00 H new ATOM 0 HA LEU A 42 7.227 1.046 3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.188 3.183 4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.505 3.916 3.018 1.00 0.00 H new ATOM 0 HG LEU A 42 5.123 1.914 2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.387 1.101 3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.018 0.626 4.137 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.176 1.971 4.942 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.046 3.203 2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.823 4.151 3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.428 4.258 1.975 1.00 0.00 H new ATOM 722 N VAL A 43 8.475 2.858 1.263 1.00 0.00 N ATOM 723 CA VAL A 43 8.825 2.834 -0.153 1.00 0.00 C ATOM 724 C VAL A 43 9.675 1.613 -0.490 1.00 0.00 C ATOM 725 O VAL A 43 9.448 0.946 -1.497 1.00 0.00 O ATOM 726 CB VAL A 43 9.588 4.108 -0.565 1.00 0.00 C ATOM 727 CG1 VAL A 43 9.799 4.141 -2.072 1.00 0.00 C ATOM 728 CG2 VAL A 43 8.846 5.351 -0.095 1.00 0.00 C ATOM 0 H VAL A 43 8.812 3.678 1.767 1.00 0.00 H new ATOM 0 HA VAL A 43 7.889 2.785 -0.709 1.00 0.00 H new ATOM 0 HB VAL A 43 10.567 4.094 -0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.339 5.048 -2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.377 3.269 -2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.832 4.130 -2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.400 6.241 -0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.853 5.373 -0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.753 5.330 0.991 1.00 0.00 H new ATOM 738 N GLY A 44 10.657 1.329 0.361 1.00 0.00 N ATOM 739 CA GLY A 44 11.526 0.189 0.134 1.00 0.00 C ATOM 740 C GLY A 44 10.765 -1.122 0.084 1.00 0.00 C ATOM 741 O GLY A 44 10.838 -1.854 -0.902 1.00 0.00 O ATOM 0 H GLY A 44 10.866 1.867 1.202 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.065 0.328 -0.803 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.272 0.142 0.927 1.00 0.00 H new ATOM 745 N ASP A 45 10.032 -1.419 1.152 1.00 0.00 N ATOM 746 CA ASP A 45 9.255 -2.650 1.229 1.00 0.00 C ATOM 747 C ASP A 45 8.180 -2.682 0.147 1.00 0.00 C ATOM 748 O ASP A 45 7.971 -3.707 -0.505 1.00 0.00 O ATOM 749 CB ASP A 45 8.608 -2.785 2.608 1.00 0.00 C ATOM 750 CG ASP A 45 9.632 -2.812 3.727 1.00 0.00 C ATOM 751 OD1 ASP A 45 10.100 -1.726 4.129 1.00 0.00 O ATOM 752 OD2 ASP A 45 9.964 -3.918 4.201 1.00 0.00 O ATOM 0 H ASP A 45 9.960 -0.823 1.977 1.00 0.00 H new ATOM 0 HA ASP A 45 9.933 -3.488 1.070 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.922 -1.953 2.767 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.015 -3.699 2.640 1.00 0.00 H new ATOM 757 N LEU A 46 7.500 -1.555 -0.037 1.00 0.00 N ATOM 758 CA LEU A 46 6.445 -1.452 -1.040 1.00 0.00 C ATOM 759 C LEU A 46 6.960 -1.844 -2.420 1.00 0.00 C ATOM 760 O LEU A 46 6.227 -2.412 -3.227 1.00 0.00 O ATOM 761 CB LEU A 46 5.883 -0.030 -1.077 1.00 0.00 C ATOM 762 CG LEU A 46 4.785 0.263 -0.053 1.00 0.00 C ATOM 763 CD1 LEU A 46 4.240 1.670 -0.244 1.00 0.00 C ATOM 764 CD2 LEU A 46 3.667 -0.762 -0.165 1.00 0.00 C ATOM 0 H LEU A 46 7.660 -0.700 0.495 1.00 0.00 H new ATOM 0 HA LEU A 46 5.649 -2.143 -0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.702 0.672 -0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.488 0.162 -2.075 1.00 0.00 H new ATOM 0 HG LEU A 46 5.217 0.194 0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.460 1.861 0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.046 2.393 -0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.823 1.766 -1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.894 -0.539 0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.237 -0.724 -1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.067 -1.759 0.020 1.00 0.00 H new ATOM 776 N LYS A 47 8.224 -1.536 -2.687 1.00 0.00 N ATOM 777 CA LYS A 47 8.831 -1.859 -3.971 1.00 0.00 C ATOM 778 C LYS A 47 9.110 -3.356 -4.081 1.00 0.00 C ATOM 779 O LYS A 47 8.742 -3.997 -5.065 1.00 0.00 O ATOM 780 CB LYS A 47 10.129 -1.066 -4.158 1.00 0.00 C ATOM 781 CG LYS A 47 10.071 -0.065 -5.301 1.00 0.00 C ATOM 782 CD LYS A 47 9.635 1.309 -4.817 1.00 0.00 C ATOM 783 CE LYS A 47 10.390 2.416 -5.531 1.00 0.00 C ATOM 784 NZ LYS A 47 11.523 2.935 -4.713 1.00 0.00 N ATOM 0 H LYS A 47 8.847 -1.064 -2.032 1.00 0.00 H new ATOM 0 HA LYS A 47 8.129 -1.583 -4.758 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.358 -0.536 -3.233 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.948 -1.763 -4.337 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.051 0.008 -5.772 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.377 -0.421 -6.063 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.565 1.432 -4.983 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.802 1.387 -3.743 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.770 2.041 -6.481 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.705 3.232 -5.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.263 3.855 -4.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.735 2.264 -3.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.363 3.049 -5.316 1.00 0.00 H new ATOM 798 N LEU A 48 9.765 -3.906 -3.061 1.00 0.00 N ATOM 799 CA LEU A 48 10.097 -5.329 -3.041 1.00 0.00 C ATOM 800 C LEU A 48 8.874 -6.188 -3.355 1.00 0.00 C ATOM 801 O LEU A 48 8.980 -7.212 -4.029 1.00 0.00 O ATOM 802 CB LEU A 48 10.670 -5.722 -1.678 1.00 0.00 C ATOM 803 CG LEU A 48 11.883 -4.907 -1.224 1.00 0.00 C ATOM 804 CD1 LEU A 48 11.948 -4.849 0.295 1.00 0.00 C ATOM 805 CD2 LEU A 48 13.163 -5.501 -1.793 1.00 0.00 C ATOM 0 H LEU A 48 10.076 -3.389 -2.239 1.00 0.00 H new ATOM 0 HA LEU A 48 10.847 -5.506 -3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.884 -5.623 -0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.950 -6.775 -1.709 1.00 0.00 H new ATOM 0 HG LEU A 48 11.778 -3.890 -1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.817 -4.266 0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.043 -4.380 0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.031 -5.860 0.694 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.017 -4.910 -1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.274 -6.528 -1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.116 -5.491 -2.882 1.00 0.00 H new ATOM 817 N VAL A 49 7.715 -5.768 -2.858 1.00 0.00 N ATOM 818 CA VAL A 49 6.478 -6.507 -3.084 1.00 0.00 C ATOM 819 C VAL A 49 5.747 -5.998 -4.325 1.00 0.00 C ATOM 820 O VAL A 49 5.276 -6.785 -5.148 1.00 0.00 O ATOM 821 CB VAL A 49 5.547 -6.434 -1.851 1.00 0.00 C ATOM 822 CG1 VAL A 49 4.631 -5.218 -1.900 1.00 0.00 C ATOM 823 CG2 VAL A 49 4.739 -7.714 -1.719 1.00 0.00 C ATOM 0 H VAL A 49 7.607 -4.923 -2.298 1.00 0.00 H new ATOM 0 HA VAL A 49 6.751 -7.549 -3.248 1.00 0.00 H new ATOM 0 HB VAL A 49 6.178 -6.326 -0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.995 -5.206 -1.015 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.233 -4.310 -1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.009 -5.267 -2.794 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.089 -7.646 -0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.132 -7.855 -2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.415 -8.561 -1.602 1.00 0.00 H new ATOM 833 N ILE A 50 5.655 -4.679 -4.451 1.00 0.00 N ATOM 834 CA ILE A 50 4.980 -4.063 -5.592 1.00 0.00 C ATOM 835 C ILE A 50 5.949 -3.793 -6.743 1.00 0.00 C ATOM 836 O ILE A 50 5.710 -2.917 -7.574 1.00 0.00 O ATOM 837 CB ILE A 50 4.291 -2.739 -5.199 1.00 0.00 C ATOM 838 CG1 ILE A 50 3.477 -2.920 -3.915 1.00 0.00 C ATOM 839 CG2 ILE A 50 3.402 -2.245 -6.334 1.00 0.00 C ATOM 840 CD1 ILE A 50 2.677 -1.694 -3.524 1.00 0.00 C ATOM 0 H ILE A 50 6.038 -4.014 -3.779 1.00 0.00 H new ATOM 0 HA ILE A 50 4.224 -4.777 -5.920 1.00 0.00 H new ATOM 0 HB ILE A 50 5.060 -1.989 -5.014 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.796 -3.762 -4.042 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.153 -3.177 -3.100 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.923 -1.311 -6.041 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.008 -2.079 -7.225 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.638 -2.992 -6.549 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.126 -1.897 -2.605 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.353 -0.854 -3.364 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.975 -1.448 -4.321 1.00 0.00 H new ATOM 852 N ASN A 51 7.043 -4.550 -6.793 1.00 0.00 N ATOM 853 CA ASN A 51 8.039 -4.384 -7.846 1.00 0.00 C ATOM 854 C ASN A 51 7.435 -4.674 -9.218 1.00 0.00 C ATOM 855 O ASN A 51 7.626 -3.911 -10.165 1.00 0.00 O ATOM 856 CB ASN A 51 9.235 -5.306 -7.601 1.00 0.00 C ATOM 857 CG ASN A 51 8.815 -6.722 -7.258 1.00 0.00 C ATOM 858 OD1 ASN A 51 7.627 -7.041 -7.238 1.00 0.00 O ATOM 859 ND2 ASN A 51 9.792 -7.580 -6.986 1.00 0.00 N ATOM 0 H ASN A 51 7.261 -5.283 -6.118 1.00 0.00 H new ATOM 0 HA ASN A 51 8.378 -3.348 -7.827 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.865 -5.323 -8.490 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.840 -4.903 -6.789 1.00 0.00 H new ATOM 0 HD21 ASN A 51 9.570 -8.547 -6.749 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.764 -7.272 -7.015 1.00 0.00 H new ATOM 866 N GLU A 52 6.706 -5.784 -9.313 1.00 0.00 N ATOM 867 CA GLU A 52 6.069 -6.189 -10.560 1.00 0.00 C ATOM 868 C GLU A 52 5.396 -5.004 -11.253 1.00 0.00 C ATOM 869 O GLU A 52 4.490 -4.383 -10.700 1.00 0.00 O ATOM 870 CB GLU A 52 5.036 -7.285 -10.291 1.00 0.00 C ATOM 871 CG GLU A 52 5.637 -8.677 -10.187 1.00 0.00 C ATOM 872 CD GLU A 52 5.863 -9.317 -11.544 1.00 0.00 C ATOM 873 OE1 GLU A 52 6.623 -8.742 -12.353 1.00 0.00 O ATOM 874 OE2 GLU A 52 5.279 -10.390 -11.799 1.00 0.00 O ATOM 0 H GLU A 52 6.542 -6.422 -8.534 1.00 0.00 H new ATOM 0 HA GLU A 52 6.845 -6.574 -11.221 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.509 -7.056 -9.365 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.295 -7.277 -11.090 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.586 -8.620 -9.653 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.976 -9.311 -9.596 1.00 0.00 H new ATOM 881 N PRO A 53 5.838 -4.675 -12.480 1.00 0.00 N ATOM 882 CA PRO A 53 5.282 -3.562 -13.255 1.00 0.00 C ATOM 883 C PRO A 53 3.758 -3.505 -13.189 1.00 0.00 C ATOM 884 O PRO A 53 3.179 -2.468 -12.865 1.00 0.00 O ATOM 885 CB PRO A 53 5.746 -3.871 -14.675 1.00 0.00 C ATOM 886 CG PRO A 53 7.036 -4.600 -14.499 1.00 0.00 C ATOM 887 CD PRO A 53 6.919 -5.366 -13.205 1.00 0.00 C ATOM 0 HA PRO A 53 5.612 -2.594 -12.879 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.016 -4.481 -15.207 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.882 -2.958 -15.255 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.218 -5.275 -15.335 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.874 -3.904 -14.464 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.675 -6.414 -13.382 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.853 -5.346 -12.643 1.00 0.00 H new ATOM 895 N SER A 54 3.112 -4.627 -13.493 1.00 0.00 N ATOM 896 CA SER A 54 1.656 -4.701 -13.462 1.00 0.00 C ATOM 897 C SER A 54 1.130 -4.507 -12.041 1.00 0.00 C ATOM 898 O SER A 54 -0.031 -4.149 -11.842 1.00 0.00 O ATOM 899 CB SER A 54 1.181 -6.046 -14.014 1.00 0.00 C ATOM 900 OG SER A 54 1.731 -7.124 -13.277 1.00 0.00 O ATOM 0 H SER A 54 3.573 -5.496 -13.763 1.00 0.00 H new ATOM 0 HA SER A 54 1.264 -3.900 -14.088 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.093 -6.094 -13.976 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.468 -6.134 -15.062 1.00 0.00 H new ATOM 0 HG SER A 54 1.410 -7.972 -13.649 1.00 0.00 H new ATOM 906 N ARG A 55 1.993 -4.748 -11.058 1.00 0.00 N ATOM 907 CA ARG A 55 1.621 -4.601 -9.655 1.00 0.00 C ATOM 908 C ARG A 55 1.877 -3.176 -9.160 1.00 0.00 C ATOM 909 O ARG A 55 1.375 -2.778 -8.109 1.00 0.00 O ATOM 910 CB ARG A 55 2.406 -5.596 -8.798 1.00 0.00 C ATOM 911 CG ARG A 55 1.655 -6.061 -7.561 1.00 0.00 C ATOM 912 CD ARG A 55 2.598 -6.657 -6.527 1.00 0.00 C ATOM 913 NE ARG A 55 2.256 -6.230 -5.170 1.00 0.00 N ATOM 914 CZ ARG A 55 2.340 -7.012 -4.097 1.00 0.00 C ATOM 915 NH1 ARG A 55 2.775 -8.263 -4.202 1.00 0.00 N ATOM 916 NH2 ARG A 55 1.994 -6.540 -2.907 1.00 0.00 N ATOM 0 H ARG A 55 2.957 -5.047 -11.208 1.00 0.00 H new ATOM 0 HA ARG A 55 0.554 -4.807 -9.566 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.660 -6.464 -9.406 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.345 -5.136 -8.491 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.118 -5.220 -7.123 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.909 -6.803 -7.845 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.561 -7.745 -6.586 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.622 -6.360 -6.754 1.00 0.00 H new ATOM 0 HE ARG A 55 1.933 -5.272 -5.038 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.049 -8.633 -5.112 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.835 -8.853 -3.372 1.00 0.00 H new ATOM 0 HH21 ARG A 55 1.664 -5.579 -2.816 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.058 -7.138 -2.083 1.00 0.00 H new ATOM 930 N LEU A 56 2.664 -2.415 -9.919 1.00 0.00 N ATOM 931 CA LEU A 56 2.988 -1.039 -9.553 1.00 0.00 C ATOM 932 C LEU A 56 1.729 -0.221 -9.256 1.00 0.00 C ATOM 933 O LEU A 56 1.670 0.492 -8.255 1.00 0.00 O ATOM 934 CB LEU A 56 3.796 -0.371 -10.666 1.00 0.00 C ATOM 935 CG LEU A 56 5.282 -0.733 -10.696 1.00 0.00 C ATOM 936 CD1 LEU A 56 5.932 -0.218 -11.970 1.00 0.00 C ATOM 937 CD2 LEU A 56 5.990 -0.177 -9.468 1.00 0.00 C ATOM 0 H LEU A 56 3.089 -2.729 -10.791 1.00 0.00 H new ATOM 0 HA LEU A 56 3.587 -1.073 -8.643 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.353 -0.638 -11.626 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.703 0.710 -10.562 1.00 0.00 H new ATOM 0 HG LEU A 56 5.373 -1.819 -10.682 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.989 -0.485 -11.973 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.442 -0.665 -12.835 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.832 0.866 -12.017 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.046 -0.444 -9.505 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.890 0.908 -9.451 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.541 -0.597 -8.568 1.00 0.00 H new ATOM 949 N PRO A 57 0.699 -0.309 -10.121 1.00 0.00 N ATOM 950 CA PRO A 57 -0.552 0.434 -9.935 1.00 0.00 C ATOM 951 C PRO A 57 -1.075 0.368 -8.500 1.00 0.00 C ATOM 952 O PRO A 57 -1.798 1.257 -8.054 1.00 0.00 O ATOM 953 CB PRO A 57 -1.516 -0.270 -10.888 1.00 0.00 C ATOM 954 CG PRO A 57 -0.648 -0.775 -11.986 1.00 0.00 C ATOM 955 CD PRO A 57 0.671 -1.129 -11.350 1.00 0.00 C ATOM 0 HA PRO A 57 -0.425 1.498 -10.133 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.042 -1.085 -10.391 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.274 0.416 -11.265 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.095 -1.646 -12.466 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.517 -0.017 -12.758 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.733 -2.193 -11.123 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.508 -0.894 -12.007 1.00 0.00 H new ATOM 963 N LEU A 58 -0.708 -0.691 -7.784 1.00 0.00 N ATOM 964 CA LEU A 58 -1.143 -0.872 -6.402 1.00 0.00 C ATOM 965 C LEU A 58 -0.822 0.358 -5.555 1.00 0.00 C ATOM 966 O LEU A 58 -1.554 0.688 -4.622 1.00 0.00 O ATOM 967 CB LEU A 58 -0.479 -2.107 -5.793 1.00 0.00 C ATOM 968 CG LEU A 58 -1.243 -2.750 -4.635 1.00 0.00 C ATOM 969 CD1 LEU A 58 -1.328 -1.793 -3.456 1.00 0.00 C ATOM 970 CD2 LEU A 58 -2.634 -3.170 -5.083 1.00 0.00 C ATOM 0 H LEU A 58 -0.110 -1.438 -8.138 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.224 -1.011 -6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.345 -2.852 -6.577 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.515 -1.830 -5.443 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.701 -3.640 -4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.875 -2.267 -2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.323 -1.540 -3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.847 -0.885 -3.761 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.164 -3.626 -4.246 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.185 -2.295 -5.428 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.552 -3.891 -5.896 1.00 0.00 H new ATOM 982 N PHE A 59 0.274 1.035 -5.887 1.00 0.00 N ATOM 983 CA PHE A 59 0.692 2.231 -5.156 1.00 0.00 C ATOM 984 C PHE A 59 -0.464 3.219 -5.016 1.00 0.00 C ATOM 985 O PHE A 59 -0.575 3.929 -4.012 1.00 0.00 O ATOM 986 CB PHE A 59 1.865 2.906 -5.871 1.00 0.00 C ATOM 987 CG PHE A 59 3.211 2.407 -5.427 1.00 0.00 C ATOM 988 CD1 PHE A 59 3.700 1.194 -5.885 1.00 0.00 C ATOM 989 CD2 PHE A 59 3.988 3.153 -4.555 1.00 0.00 C ATOM 990 CE1 PHE A 59 4.939 0.734 -5.481 1.00 0.00 C ATOM 991 CE2 PHE A 59 5.228 2.698 -4.149 1.00 0.00 C ATOM 992 CZ PHE A 59 5.704 1.487 -4.612 1.00 0.00 C ATOM 0 H PHE A 59 0.890 0.777 -6.658 1.00 0.00 H new ATOM 0 HA PHE A 59 1.007 1.923 -4.159 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.765 2.747 -6.945 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.812 3.981 -5.702 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.106 0.601 -6.565 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.620 4.100 -4.189 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.309 -0.213 -5.844 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.825 3.289 -3.470 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.673 1.130 -4.295 1.00 0.00 H new ATOM 1002 N ASP A 60 -1.322 3.261 -6.031 1.00 0.00 N ATOM 1003 CA ASP A 60 -2.470 4.159 -6.031 1.00 0.00 C ATOM 1004 C ASP A 60 -3.309 3.979 -4.772 1.00 0.00 C ATOM 1005 O ASP A 60 -3.649 4.948 -4.100 1.00 0.00 O ATOM 1006 CB ASP A 60 -3.332 3.919 -7.271 1.00 0.00 C ATOM 1007 CG ASP A 60 -3.988 5.190 -7.775 1.00 0.00 C ATOM 1008 OD1 ASP A 60 -4.714 5.834 -6.990 1.00 0.00 O ATOM 1009 OD2 ASP A 60 -3.776 5.538 -8.956 1.00 0.00 O ATOM 0 H ASP A 60 -1.243 2.681 -6.866 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.095 5.182 -6.049 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.715 3.494 -8.062 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.102 3.184 -7.038 1.00 0.00 H new ATOM 1014 N ALA A 61 -3.640 2.733 -4.467 1.00 0.00 N ATOM 1015 CA ALA A 61 -4.442 2.414 -3.289 1.00 0.00 C ATOM 1016 C ALA A 61 -3.651 2.605 -1.995 1.00 0.00 C ATOM 1017 O ALA A 61 -4.232 2.699 -0.914 1.00 0.00 O ATOM 1018 CB ALA A 61 -4.965 0.989 -3.381 1.00 0.00 C ATOM 0 H ALA A 61 -3.365 1.921 -5.020 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.284 3.106 -3.265 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.561 0.763 -2.497 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.583 0.885 -4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.125 0.296 -3.439 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.327 2.654 -2.107 1.00 0.00 N ATOM 1025 CA ILE A 62 -1.470 2.823 -0.937 1.00 0.00 C ATOM 1026 C ILE A 62 -1.505 4.257 -0.409 1.00 0.00 C ATOM 1027 O ILE A 62 -1.512 4.478 0.801 1.00 0.00 O ATOM 1028 CB ILE A 62 -0.010 2.438 -1.252 1.00 0.00 C ATOM 1029 CG1 ILE A 62 0.056 1.009 -1.799 1.00 0.00 C ATOM 1030 CG2 ILE A 62 0.862 2.575 -0.010 1.00 0.00 C ATOM 1031 CD1 ILE A 62 -0.263 -0.052 -0.767 1.00 0.00 C ATOM 0 H ILE A 62 -1.825 2.579 -2.992 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.862 2.156 -0.169 1.00 0.00 H new ATOM 0 HB ILE A 62 0.370 3.120 -2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.641 0.915 -2.631 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.054 0.827 -2.198 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.888 2.299 -0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.837 3.607 0.340 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.485 1.917 0.773 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.196 -1.038 -1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.450 0.014 0.055 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.272 0.103 -0.386 1.00 0.00 H new ATOM 1043 N ARG A 63 -1.515 5.228 -1.318 1.00 0.00 N ATOM 1044 CA ARG A 63 -1.532 6.637 -0.925 1.00 0.00 C ATOM 1045 C ARG A 63 -2.739 6.961 -0.036 1.00 0.00 C ATOM 1046 O ARG A 63 -2.580 7.524 1.047 1.00 0.00 O ATOM 1047 CB ARG A 63 -1.526 7.545 -2.159 1.00 0.00 C ATOM 1048 CG ARG A 63 -0.608 7.062 -3.271 1.00 0.00 C ATOM 1049 CD ARG A 63 -0.301 8.173 -4.262 1.00 0.00 C ATOM 1050 NE ARG A 63 1.055 8.070 -4.796 1.00 0.00 N ATOM 1051 CZ ARG A 63 1.430 7.162 -5.696 1.00 0.00 C ATOM 1052 NH1 ARG A 63 0.556 6.277 -6.161 1.00 0.00 N ATOM 1053 NH2 ARG A 63 2.683 7.140 -6.132 1.00 0.00 N ATOM 0 H ARG A 63 -1.512 5.069 -2.325 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.628 6.824 -0.346 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.542 7.622 -2.547 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.222 8.548 -1.859 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.322 6.690 -2.841 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.075 6.227 -3.793 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.018 8.135 -5.082 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.426 9.139 -3.774 1.00 0.00 H new ATOM 0 HE ARG A 63 1.755 8.732 -4.460 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.408 6.290 -5.829 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.849 5.584 -6.850 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.358 7.818 -5.778 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.971 6.445 -6.821 1.00 0.00 H new ATOM 1067 N PRO A 64 -3.962 6.616 -0.481 1.00 0.00 N ATOM 1068 CA PRO A 64 -5.190 6.877 0.278 1.00 0.00 C ATOM 1069 C PRO A 64 -5.043 6.599 1.772 1.00 0.00 C ATOM 1070 O PRO A 64 -5.354 7.450 2.605 1.00 0.00 O ATOM 1071 CB PRO A 64 -6.186 5.904 -0.347 1.00 0.00 C ATOM 1072 CG PRO A 64 -5.748 5.784 -1.765 1.00 0.00 C ATOM 1073 CD PRO A 64 -4.250 5.947 -1.764 1.00 0.00 C ATOM 0 HA PRO A 64 -5.485 7.925 0.224 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.167 4.938 0.158 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.206 6.281 -0.277 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.033 4.817 -2.179 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.221 6.547 -2.383 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.744 4.984 -1.834 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.914 6.546 -2.610 1.00 0.00 H new ATOM 1081 N LEU A 65 -4.574 5.401 2.105 1.00 0.00 N ATOM 1082 CA LEU A 65 -4.394 5.011 3.500 1.00 0.00 C ATOM 1083 C LEU A 65 -3.348 5.882 4.189 1.00 0.00 C ATOM 1084 O LEU A 65 -3.345 6.009 5.413 1.00 0.00 O ATOM 1085 CB LEU A 65 -3.986 3.539 3.588 1.00 0.00 C ATOM 1086 CG LEU A 65 -5.065 2.541 3.158 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -4.731 1.943 1.798 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -5.226 1.445 4.200 1.00 0.00 C ATOM 0 H LEU A 65 -4.312 4.684 1.429 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.345 5.153 4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.102 3.385 2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.697 3.318 4.616 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.011 3.075 3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.509 1.236 1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.671 2.739 1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.774 1.425 1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.997 0.746 3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.281 0.914 4.319 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.515 1.888 5.153 1.00 0.00 H new ATOM 1100 N ILE A 66 -2.460 6.477 3.401 1.00 0.00 N ATOM 1101 CA ILE A 66 -1.410 7.329 3.944 1.00 0.00 C ATOM 1102 C ILE A 66 -1.968 8.695 4.359 1.00 0.00 C ATOM 1103 O ILE A 66 -2.858 9.236 3.702 1.00 0.00 O ATOM 1104 CB ILE A 66 -0.255 7.508 2.923 1.00 0.00 C ATOM 1105 CG1 ILE A 66 1.094 7.233 3.592 1.00 0.00 C ATOM 1106 CG2 ILE A 66 -0.268 8.899 2.296 1.00 0.00 C ATOM 1107 CD1 ILE A 66 1.734 5.935 3.148 1.00 0.00 C ATOM 0 H ILE A 66 -2.446 6.385 2.385 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.012 6.836 4.831 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.406 6.785 2.121 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.773 8.057 3.374 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.957 7.210 4.673 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.555 8.986 1.587 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.213 9.055 1.776 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.155 9.651 3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.686 5.805 3.662 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.074 5.102 3.390 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.903 5.962 2.072 1.00 0.00 H new ATOM 1119 N PRO A 67 -1.447 9.270 5.459 1.00 0.00 N ATOM 1120 CA PRO A 67 -1.894 10.577 5.958 1.00 0.00 C ATOM 1121 C PRO A 67 -1.916 11.642 4.866 1.00 0.00 C ATOM 1122 O PRO A 67 -1.238 11.515 3.846 1.00 0.00 O ATOM 1123 CB PRO A 67 -0.853 10.920 7.025 1.00 0.00 C ATOM 1124 CG PRO A 67 -0.366 9.599 7.505 1.00 0.00 C ATOM 1125 CD PRO A 67 -0.380 8.696 6.303 1.00 0.00 C ATOM 0 HA PRO A 67 -2.916 10.543 6.335 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.040 11.516 6.610 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.292 11.500 7.836 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.638 9.680 7.921 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.008 9.209 8.295 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.582 8.694 5.790 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.596 7.664 6.578 1.00 0.00 H new ATOM 1133 N LEU A 68 -2.709 12.690 5.084 1.00 0.00 N ATOM 1134 CA LEU A 68 -2.826 13.779 4.109 1.00 0.00 C ATOM 1135 C LEU A 68 -1.448 14.279 3.681 1.00 0.00 C ATOM 1136 O LEU A 68 -1.054 14.126 2.526 1.00 0.00 O ATOM 1137 CB LEU A 68 -3.652 14.957 4.661 1.00 0.00 C ATOM 1138 CG LEU A 68 -4.313 14.747 6.029 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -3.280 14.832 7.141 1.00 0.00 C ATOM 1140 CD2 LEU A 68 -5.415 15.772 6.248 1.00 0.00 C ATOM 0 H LEU A 68 -3.278 12.810 5.922 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.347 13.372 3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.001 15.829 4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.432 15.195 3.938 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.756 13.751 6.048 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.768 14.680 8.104 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.522 14.062 6.993 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.808 15.814 7.124 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.874 15.610 7.223 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.991 16.776 6.209 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.170 15.666 5.469 1.00 0.00 H new ATOM 1152 N LYS A 69 -0.715 14.871 4.620 1.00 0.00 N ATOM 1153 CA LYS A 69 0.618 15.386 4.331 1.00 0.00 C ATOM 1154 C LYS A 69 1.524 14.272 3.814 1.00 0.00 C ATOM 1155 O LYS A 69 2.407 14.503 2.986 1.00 0.00 O ATOM 1156 CB LYS A 69 1.228 16.015 5.585 1.00 0.00 C ATOM 1157 CG LYS A 69 1.260 15.078 6.782 1.00 0.00 C ATOM 1158 CD LYS A 69 0.783 15.772 8.049 1.00 0.00 C ATOM 1159 CE LYS A 69 0.958 14.884 9.269 1.00 0.00 C ATOM 1160 NZ LYS A 69 -0.052 15.180 10.322 1.00 0.00 N ATOM 0 H LYS A 69 -1.021 15.005 5.584 1.00 0.00 H new ATOM 0 HA LYS A 69 0.529 16.150 3.559 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.244 16.340 5.361 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.659 16.907 5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.631 14.211 6.583 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.275 14.709 6.929 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.340 16.699 8.189 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.267 16.044 7.943 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.876 13.839 8.972 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.959 15.022 9.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.102 14.553 11.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.042 16.170 10.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.007 15.024 9.941 1.00 0.00 H new ATOM 1174 N HIS A 70 1.291 13.061 4.308 1.00 0.00 N ATOM 1175 CA HIS A 70 2.079 11.907 3.900 1.00 0.00 C ATOM 1176 C HIS A 70 1.891 11.615 2.415 1.00 0.00 C ATOM 1177 O HIS A 70 2.796 11.110 1.757 1.00 0.00 O ATOM 1178 CB HIS A 70 1.698 10.682 4.730 1.00 0.00 C ATOM 1179 CG HIS A 70 2.300 10.686 6.101 1.00 0.00 C ATOM 1180 ND1 HIS A 70 2.669 9.535 6.765 1.00 0.00 N ATOM 1181 CD2 HIS A 70 2.601 11.710 6.932 1.00 0.00 C ATOM 1182 CE1 HIS A 70 3.168 9.853 7.946 1.00 0.00 C ATOM 1183 NE2 HIS A 70 3.140 11.166 8.072 1.00 0.00 N ATOM 0 H HIS A 70 0.563 12.854 4.991 1.00 0.00 H new ATOM 0 HA HIS A 70 3.130 12.138 4.073 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.613 10.634 4.817 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.016 9.782 4.204 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.446 12.761 6.735 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.537 9.156 8.684 1.00 0.00 H new ATOM 0 HE2 HIS A 70 3.465 11.691 8.884 1.00 0.00 H new ATOM 1192 N GLN A 71 0.712 11.941 1.891 1.00 0.00 N ATOM 1193 CA GLN A 71 0.421 11.716 0.479 1.00 0.00 C ATOM 1194 C GLN A 71 1.387 12.504 -0.394 1.00 0.00 C ATOM 1195 O GLN A 71 2.002 11.961 -1.312 1.00 0.00 O ATOM 1196 CB GLN A 71 -1.020 12.111 0.154 1.00 0.00 C ATOM 1197 CG GLN A 71 -2.052 11.104 0.637 1.00 0.00 C ATOM 1198 CD GLN A 71 -3.431 11.356 0.056 1.00 0.00 C ATOM 1199 OE1 GLN A 71 -4.142 10.420 -0.311 1.00 0.00 O ATOM 1200 NE2 GLN A 71 -3.815 12.623 -0.032 1.00 0.00 N ATOM 0 H GLN A 71 -0.053 12.360 2.420 1.00 0.00 H new ATOM 0 HA GLN A 71 0.545 10.653 0.272 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.232 13.081 0.605 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.120 12.232 -0.925 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.727 10.099 0.368 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.108 11.140 1.725 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.194 13.367 0.284 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.732 12.853 -0.416 1.00 0.00 H new ATOM 1209 N VAL A 72 1.520 13.790 -0.092 1.00 0.00 N ATOM 1210 CA VAL A 72 2.418 14.660 -0.839 1.00 0.00 C ATOM 1211 C VAL A 72 3.850 14.147 -0.759 1.00 0.00 C ATOM 1212 O VAL A 72 4.523 13.993 -1.778 1.00 0.00 O ATOM 1213 CB VAL A 72 2.372 16.106 -0.310 1.00 0.00 C ATOM 1214 CG1 VAL A 72 3.175 17.031 -1.214 1.00 0.00 C ATOM 1215 CG2 VAL A 72 0.933 16.584 -0.191 1.00 0.00 C ATOM 0 H VAL A 72 1.017 14.253 0.665 1.00 0.00 H new ATOM 0 HA VAL A 72 2.083 14.655 -1.876 1.00 0.00 H new ATOM 0 HB VAL A 72 2.821 16.125 0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.131 18.048 -0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.213 16.699 -1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.757 17.009 -2.220 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.919 17.607 0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.456 16.550 -1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.391 15.937 0.499 1.00 0.00 H new ATOM 1225 N GLU A 73 4.307 13.875 0.460 1.00 0.00 N ATOM 1226 CA GLU A 73 5.659 13.368 0.665 1.00 0.00 C ATOM 1227 C GLU A 73 5.810 11.989 0.038 1.00 0.00 C ATOM 1228 O GLU A 73 6.882 11.635 -0.452 1.00 0.00 O ATOM 1229 CB GLU A 73 5.989 13.309 2.157 1.00 0.00 C ATOM 1230 CG GLU A 73 7.417 12.874 2.448 1.00 0.00 C ATOM 1231 CD GLU A 73 8.429 13.964 2.154 1.00 0.00 C ATOM 1232 OE1 GLU A 73 8.395 15.007 2.842 1.00 0.00 O ATOM 1233 OE2 GLU A 73 9.256 13.774 1.238 1.00 0.00 O ATOM 0 H GLU A 73 3.765 13.996 1.315 1.00 0.00 H new ATOM 0 HA GLU A 73 6.358 14.050 0.181 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.821 14.292 2.597 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.301 12.619 2.646 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.498 12.581 3.495 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.653 11.993 1.851 1.00 0.00 H new ATOM 1240 N TYR A 74 4.725 11.221 0.036 1.00 0.00 N ATOM 1241 CA TYR A 74 4.742 9.891 -0.556 1.00 0.00 C ATOM 1242 C TYR A 74 5.126 9.996 -2.024 1.00 0.00 C ATOM 1243 O TYR A 74 5.893 9.184 -2.542 1.00 0.00 O ATOM 1244 CB TYR A 74 3.373 9.222 -0.413 1.00 0.00 C ATOM 1245 CG TYR A 74 3.360 7.769 -0.831 1.00 0.00 C ATOM 1246 CD1 TYR A 74 3.708 6.766 0.065 1.00 0.00 C ATOM 1247 CD2 TYR A 74 2.995 7.400 -2.119 1.00 0.00 C ATOM 1248 CE1 TYR A 74 3.695 5.437 -0.311 1.00 0.00 C ATOM 1249 CE2 TYR A 74 2.979 6.072 -2.503 1.00 0.00 C ATOM 1250 CZ TYR A 74 3.330 5.095 -1.595 1.00 0.00 C ATOM 1251 OH TYR A 74 3.316 3.772 -1.972 1.00 0.00 O ATOM 0 H TYR A 74 3.828 11.496 0.436 1.00 0.00 H new ATOM 0 HA TYR A 74 5.477 9.278 -0.033 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.049 9.295 0.625 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.646 9.770 -1.013 1.00 0.00 H new ATOM 0 HD1 TYR A 74 3.994 7.030 1.073 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.719 8.163 -2.832 1.00 0.00 H new ATOM 0 HE1 TYR A 74 3.970 4.670 0.398 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.693 5.801 -3.509 1.00 0.00 H new ATOM 0 HH TYR A 74 3.977 3.627 -2.681 1.00 0.00 H new ATOM 1261 N ASP A 75 4.595 11.021 -2.681 1.00 0.00 N ATOM 1262 CA ASP A 75 4.887 11.266 -4.084 1.00 0.00 C ATOM 1263 C ASP A 75 6.309 11.791 -4.244 1.00 0.00 C ATOM 1264 O ASP A 75 6.971 11.523 -5.247 1.00 0.00 O ATOM 1265 CB ASP A 75 3.889 12.267 -4.668 1.00 0.00 C ATOM 1266 CG ASP A 75 2.578 11.615 -5.063 1.00 0.00 C ATOM 1267 OD1 ASP A 75 2.468 11.151 -6.218 1.00 0.00 O ATOM 1268 OD2 ASP A 75 1.660 11.568 -4.217 1.00 0.00 O ATOM 0 H ASP A 75 3.958 11.697 -2.260 1.00 0.00 H new ATOM 0 HA ASP A 75 4.797 10.325 -4.626 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.695 13.051 -3.936 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.330 12.748 -5.541 1.00 0.00 H new ATOM 1273 N GLN A 76 6.776 12.540 -3.245 1.00 0.00 N ATOM 1274 CA GLN A 76 8.122 13.099 -3.278 1.00 0.00 C ATOM 1275 C GLN A 76 9.172 11.992 -3.244 1.00 0.00 C ATOM 1276 O GLN A 76 10.269 12.148 -3.780 1.00 0.00 O ATOM 1277 CB GLN A 76 8.330 14.052 -2.099 1.00 0.00 C ATOM 1278 CG GLN A 76 7.885 15.477 -2.384 1.00 0.00 C ATOM 1279 CD GLN A 76 7.445 16.212 -1.133 1.00 0.00 C ATOM 1280 OE1 GLN A 76 6.389 16.843 -1.109 1.00 0.00 O ATOM 1281 NE2 GLN A 76 8.256 16.132 -0.085 1.00 0.00 N ATOM 0 H GLN A 76 6.242 12.771 -2.407 1.00 0.00 H new ATOM 0 HA GLN A 76 8.235 13.654 -4.209 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.781 13.674 -1.236 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.386 14.057 -1.828 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.704 16.023 -2.852 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.063 15.461 -3.099 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.122 15.597 -0.150 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.013 16.605 0.785 1.00 0.00 H new ATOM 1290 N LEU A 77 8.830 10.877 -2.606 1.00 0.00 N ATOM 1291 CA LEU A 77 9.745 9.745 -2.501 1.00 0.00 C ATOM 1292 C LEU A 77 9.564 8.786 -3.673 1.00 0.00 C ATOM 1293 O LEU A 77 10.536 8.238 -4.194 1.00 0.00 O ATOM 1294 CB LEU A 77 9.522 9.003 -1.181 1.00 0.00 C ATOM 1295 CG LEU A 77 9.943 9.770 0.073 1.00 0.00 C ATOM 1296 CD1 LEU A 77 9.451 9.055 1.323 1.00 0.00 C ATOM 1297 CD2 LEU A 77 11.454 9.938 0.112 1.00 0.00 C ATOM 0 H LEU A 77 7.927 10.733 -2.154 1.00 0.00 H new ATOM 0 HA LEU A 77 10.764 10.131 -2.526 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.464 8.753 -1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.071 8.062 -1.214 1.00 0.00 H new ATOM 0 HG LEU A 77 9.489 10.760 0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.759 9.614 2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.363 8.986 1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.878 8.053 1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.736 10.486 1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.929 8.957 0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.781 10.492 -0.768 1.00 0.00 H new ATOM 1309 N THR A 78 8.317 8.589 -4.079 1.00 0.00 N ATOM 1310 CA THR A 78 8.006 7.694 -5.189 1.00 0.00 C ATOM 1311 C THR A 78 8.372 8.337 -6.525 1.00 0.00 C ATOM 1312 O THR A 78 8.409 9.562 -6.645 1.00 0.00 O ATOM 1313 CB THR A 78 6.522 7.327 -5.174 1.00 0.00 C ATOM 1314 OG1 THR A 78 5.721 8.469 -5.423 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.068 6.724 -3.863 1.00 0.00 C ATOM 0 H THR A 78 7.503 9.036 -3.657 1.00 0.00 H new ATOM 0 HA THR A 78 8.598 6.786 -5.070 1.00 0.00 H new ATOM 0 HB THR A 78 6.401 6.581 -5.959 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.309 8.392 -6.309 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.006 6.487 -3.920 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.633 5.813 -3.666 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.238 7.437 -3.056 1.00 0.00 H new ATOM 1323 N PRO A 79 8.650 7.515 -7.553 1.00 0.00 N ATOM 1324 CA PRO A 79 9.015 8.011 -8.885 1.00 0.00 C ATOM 1325 C PRO A 79 7.899 8.833 -9.523 1.00 0.00 C ATOM 1326 O PRO A 79 6.944 9.225 -8.854 1.00 0.00 O ATOM 1327 CB PRO A 79 9.268 6.732 -9.694 1.00 0.00 C ATOM 1328 CG PRO A 79 8.562 5.653 -8.946 1.00 0.00 C ATOM 1329 CD PRO A 79 8.630 6.044 -7.498 1.00 0.00 C ATOM 0 HA PRO A 79 9.875 8.679 -8.845 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.882 6.825 -10.709 1.00 0.00 H new ATOM 0 HB3 PRO A 79 10.334 6.522 -9.776 1.00 0.00 H new ATOM 0 HG2 PRO A 79 7.528 5.560 -9.277 1.00 0.00 H new ATOM 0 HG3 PRO A 79 9.038 4.687 -9.112 1.00 0.00 H new ATOM 0 HD2 PRO A 79 7.771 5.673 -6.939 1.00 0.00 H new ATOM 0 HD3 PRO A 79 9.522 5.646 -7.014 1.00 0.00 H new ATOM 1337 N ARG A 80 8.029 9.089 -10.819 1.00 0.00 N ATOM 1338 CA ARG A 80 7.033 9.865 -11.550 1.00 0.00 C ATOM 1339 C ARG A 80 7.098 9.573 -13.045 1.00 0.00 C ATOM 1340 O ARG A 80 6.070 9.410 -13.701 1.00 0.00 O ATOM 1341 CB ARG A 80 7.242 11.361 -11.303 1.00 0.00 C ATOM 1342 CG ARG A 80 5.957 12.171 -11.353 1.00 0.00 C ATOM 1343 CD ARG A 80 5.776 12.844 -12.704 1.00 0.00 C ATOM 1344 NE ARG A 80 6.565 14.069 -12.815 1.00 0.00 N ATOM 1345 CZ ARG A 80 6.336 15.019 -13.719 1.00 0.00 C ATOM 1346 NH1 ARG A 80 5.344 14.890 -14.592 1.00 0.00 N ATOM 1347 NH2 ARG A 80 7.101 16.102 -13.751 1.00 0.00 N ATOM 0 H ARG A 80 8.815 8.771 -11.386 1.00 0.00 H new ATOM 0 HA ARG A 80 6.047 9.575 -11.186 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.710 11.498 -10.328 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.936 11.750 -12.048 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.107 11.519 -11.153 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.971 12.927 -10.568 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.066 12.153 -13.495 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.722 13.077 -12.855 1.00 0.00 H new ATOM 0 HE ARG A 80 7.336 14.204 -12.161 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.752 14.059 -14.572 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.174 15.621 -15.282 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.865 16.207 -13.083 1.00 0.00 H new ATOM 0 HH22 ARG A 80 6.926 16.830 -14.444 1.00 0.00 H new TER 1361 ARG A 80