USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 618 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 46 SER OG : rot 130:sc= 0.109 USER MOD Set 1.2: A 74 GLN : amide:sc= -0.444 K(o=-0.34,f=-1.1) USER MOD Set 2.1: A 43 SER OG : rot -67:sc= 0.0869 USER MOD Set 2.2: A 45 SER OG : rot 180:sc= -0.342 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 144:sc= -0.713 (180deg=-2.14!) USER MOD Single : A 8 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0431) USER MOD Single : A 9 CYS SG : rot 180:sc= -0.557 USER MOD Single : A 14 THR OG1 : rot 73:sc= 1.2 USER MOD Single : A 17 CYS SG : rot 81:sc= 0.289 USER MOD Single : A 18 LYS NZ :NH3+ -163:sc= 1.25 (180deg=1.05) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.0444 X(o=-0.044,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc=-0.00869 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= -1.28 K(o=-1.3,f=-6!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.605 X(o=-0.6,f=-1.1) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.29 USER MOD Single : A 61 LYS NZ :NH3+ -172:sc= 0.199 (180deg=0.172) USER MOD Single : A 64 LYS NZ :NH3+ -171:sc=-0.00432 (180deg=-0.0948) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 102:sc= 0.868 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 -1.159 -0.742 -2.350 1.00 0.00 N ATOM 19 CA ARG A 2 -2.045 -0.814 -3.505 1.00 0.00 C ATOM 20 C ARG A 2 -1.558 0.105 -4.622 1.00 0.00 C ATOM 21 O ARG A 2 -1.514 -0.288 -5.787 1.00 0.00 O ATOM 22 CB ARG A 2 -3.472 -0.436 -3.105 1.00 0.00 C ATOM 23 CG ARG A 2 -4.507 -0.747 -4.174 1.00 0.00 C ATOM 24 CD ARG A 2 -5.846 -0.099 -3.857 1.00 0.00 C ATOM 25 NE ARG A 2 -6.410 -0.592 -2.604 1.00 0.00 N ATOM 26 CZ ARG A 2 -7.493 -0.077 -2.033 1.00 0.00 C ATOM 27 NH1 ARG A 2 -8.126 0.940 -2.600 1.00 0.00 N ATOM 28 NH2 ARG A 2 -7.946 -0.581 -0.892 1.00 0.00 N ATOM 0 HA ARG A 2 -2.038 -1.840 -3.873 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.736 -0.966 -2.190 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.506 0.629 -2.877 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.150 -0.394 -5.141 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.634 -1.826 -4.256 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.720 0.982 -3.797 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -6.545 -0.294 -4.671 1.00 0.00 H new ATOM 0 HE ARG A 2 -5.947 -1.375 -2.142 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.782 1.330 -3.478 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -8.957 1.333 -2.159 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.462 -1.364 -0.453 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -8.778 -0.185 -0.454 1.00 0.00 H new ATOM 42 N GLU A 3 -1.194 1.330 -4.256 1.00 0.00 N ATOM 43 CA GLU A 3 -0.712 2.305 -5.227 1.00 0.00 C ATOM 44 C GLU A 3 0.444 1.734 -6.043 1.00 0.00 C ATOM 45 O GLU A 3 0.476 1.862 -7.267 1.00 0.00 O ATOM 46 CB GLU A 3 -0.266 3.586 -4.519 1.00 0.00 C ATOM 47 CG GLU A 3 -1.397 4.571 -4.275 1.00 0.00 C ATOM 48 CD GLU A 3 -2.554 3.954 -3.514 1.00 0.00 C ATOM 49 OE1 GLU A 3 -3.362 3.237 -4.141 1.00 0.00 O ATOM 50 OE2 GLU A 3 -2.652 4.187 -2.291 1.00 0.00 O ATOM 0 H GLU A 3 -1.224 1.670 -3.295 1.00 0.00 H new ATOM 0 HA GLU A 3 -1.532 2.540 -5.905 1.00 0.00 H new ATOM 0 HB2 GLU A 3 0.189 3.324 -3.564 1.00 0.00 H new ATOM 0 HB3 GLU A 3 0.505 4.072 -5.117 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -1.015 5.426 -3.717 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -1.757 4.949 -5.232 1.00 0.00 H new ATOM 57 N GLU A 4 1.392 1.104 -5.356 1.00 0.00 N ATOM 58 CA GLU A 4 2.550 0.515 -6.017 1.00 0.00 C ATOM 59 C GLU A 4 2.117 -0.488 -7.083 1.00 0.00 C ATOM 60 O GLU A 4 2.636 -0.487 -8.199 1.00 0.00 O ATOM 61 CB GLU A 4 3.455 -0.173 -4.993 1.00 0.00 C ATOM 62 CG GLU A 4 4.442 0.769 -4.323 1.00 0.00 C ATOM 63 CD GLU A 4 5.539 1.230 -5.264 1.00 0.00 C ATOM 64 OE1 GLU A 4 6.284 0.367 -5.774 1.00 0.00 O ATOM 65 OE2 GLU A 4 5.652 2.453 -5.490 1.00 0.00 O ATOM 0 H GLU A 4 1.381 0.989 -4.343 1.00 0.00 H new ATOM 0 HA GLU A 4 3.106 1.318 -6.502 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.835 -0.640 -4.228 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.007 -0.972 -5.487 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.907 1.638 -3.941 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.891 0.269 -3.465 1.00 0.00 H new ATOM 72 N MET A 5 1.163 -1.343 -6.730 1.00 0.00 N ATOM 73 CA MET A 5 0.659 -2.351 -7.655 1.00 0.00 C ATOM 74 C MET A 5 0.017 -1.697 -8.874 1.00 0.00 C ATOM 75 O MET A 5 0.070 -2.234 -9.980 1.00 0.00 O ATOM 76 CB MET A 5 -0.355 -3.257 -6.954 1.00 0.00 C ATOM 77 CG MET A 5 0.205 -3.962 -5.729 1.00 0.00 C ATOM 78 SD MET A 5 1.006 -5.526 -6.134 1.00 0.00 S ATOM 79 CE MET A 5 2.593 -5.310 -5.332 1.00 0.00 C ATOM 0 H MET A 5 0.723 -1.358 -5.810 1.00 0.00 H new ATOM 0 HA MET A 5 1.503 -2.954 -7.990 1.00 0.00 H new ATOM 0 HB2 MET A 5 -1.218 -2.661 -6.657 1.00 0.00 H new ATOM 0 HB3 MET A 5 -0.712 -4.005 -7.662 1.00 0.00 H new ATOM 0 HG2 MET A 5 0.923 -3.308 -5.235 1.00 0.00 H new ATOM 0 HG3 MET A 5 -0.602 -4.144 -5.019 1.00 0.00 H new ATOM 0 HE1 MET A 5 3.205 -6.197 -5.492 1.00 0.00 H new ATOM 0 HE2 MET A 5 3.098 -4.440 -5.752 1.00 0.00 H new ATOM 0 HE3 MET A 5 2.443 -5.161 -4.263 1.00 0.00 H new ATOM 89 N VAL A 6 -0.591 -0.533 -8.665 1.00 0.00 N ATOM 90 CA VAL A 6 -1.244 0.194 -9.747 1.00 0.00 C ATOM 91 C VAL A 6 -0.221 0.734 -10.741 1.00 0.00 C ATOM 92 O VAL A 6 -0.423 0.669 -11.953 1.00 0.00 O ATOM 93 CB VAL A 6 -2.087 1.365 -9.207 1.00 0.00 C ATOM 94 CG1 VAL A 6 -2.752 2.116 -10.351 1.00 0.00 C ATOM 95 CG2 VAL A 6 -3.124 0.862 -8.215 1.00 0.00 C ATOM 0 H VAL A 6 -0.645 -0.074 -7.756 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.901 -0.513 -10.254 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.425 2.057 -8.686 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.343 2.940 -9.951 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.988 2.510 -11.021 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.402 1.437 -10.903 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.710 1.703 -7.844 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.784 0.149 -8.709 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.622 0.373 -7.380 1.00 0.00 H new ATOM 105 N LYS A 7 0.879 1.266 -10.219 1.00 0.00 N ATOM 106 CA LYS A 7 1.936 1.816 -11.059 1.00 0.00 C ATOM 107 C LYS A 7 2.592 0.722 -11.895 1.00 0.00 C ATOM 108 O LYS A 7 2.813 0.890 -13.094 1.00 0.00 O ATOM 109 CB LYS A 7 2.989 2.515 -10.197 1.00 0.00 C ATOM 110 CG LYS A 7 2.408 3.534 -9.232 1.00 0.00 C ATOM 111 CD LYS A 7 1.383 4.425 -9.914 1.00 0.00 C ATOM 112 CE LYS A 7 1.997 5.197 -11.072 1.00 0.00 C ATOM 113 NZ LYS A 7 1.280 4.941 -12.351 1.00 0.00 N ATOM 0 H LYS A 7 1.062 1.328 -9.217 1.00 0.00 H new ATOM 0 HA LYS A 7 1.487 2.544 -11.734 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.539 1.764 -9.631 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.707 3.013 -10.848 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.942 3.018 -8.393 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.210 4.148 -8.823 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.556 3.816 -10.279 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.968 5.125 -9.189 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.974 6.264 -10.850 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.045 4.917 -11.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.259 5.813 -12.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.773 4.195 -12.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.307 4.636 -12.148 1.00 0.00 H new ATOM 127 N LYS A 8 2.899 -0.401 -11.254 1.00 0.00 N ATOM 128 CA LYS A 8 3.527 -1.525 -11.938 1.00 0.00 C ATOM 129 C LYS A 8 2.595 -2.108 -12.995 1.00 0.00 C ATOM 130 O LYS A 8 3.005 -2.354 -14.130 1.00 0.00 O ATOM 131 CB LYS A 8 3.915 -2.610 -10.930 1.00 0.00 C ATOM 132 CG LYS A 8 5.122 -3.430 -11.353 1.00 0.00 C ATOM 133 CD LYS A 8 4.740 -4.508 -12.354 1.00 0.00 C ATOM 134 CE LYS A 8 5.864 -5.515 -12.544 1.00 0.00 C ATOM 135 NZ LYS A 8 5.978 -6.444 -11.386 1.00 0.00 N ATOM 0 H LYS A 8 2.723 -0.557 -10.261 1.00 0.00 H new ATOM 0 HA LYS A 8 4.426 -1.160 -12.434 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.123 -2.142 -9.968 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.066 -3.278 -10.783 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.873 -2.774 -11.792 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.576 -3.891 -10.476 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.843 -5.023 -12.011 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.497 -4.047 -13.312 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.688 -6.089 -13.454 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.807 -4.985 -12.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.648 -7.205 -11.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.320 -5.922 -10.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.046 -6.855 -11.177 1.00 0.00 H new ATOM 149 N CYS A 9 1.341 -2.327 -12.616 1.00 0.00 N ATOM 150 CA CYS A 9 0.351 -2.881 -13.532 1.00 0.00 C ATOM 151 C CYS A 9 0.146 -1.962 -14.732 1.00 0.00 C ATOM 152 O CYS A 9 0.019 -2.424 -15.867 1.00 0.00 O ATOM 153 CB CYS A 9 -0.979 -3.098 -12.808 1.00 0.00 C ATOM 154 SG CYS A 9 -2.102 -4.235 -13.653 1.00 0.00 S ATOM 0 H CYS A 9 0.986 -2.129 -11.681 1.00 0.00 H new ATOM 0 HA CYS A 9 0.722 -3.841 -13.891 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.778 -3.480 -11.807 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.476 -2.136 -12.688 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.197 -4.355 -12.963 1.00 0.00 H new ATOM 160 N LEU A 10 0.113 -0.659 -14.474 1.00 0.00 N ATOM 161 CA LEU A 10 -0.078 0.326 -15.533 1.00 0.00 C ATOM 162 C LEU A 10 1.111 0.335 -16.489 1.00 0.00 C ATOM 163 O LEU A 10 0.941 0.360 -17.707 1.00 0.00 O ATOM 164 CB LEU A 10 -0.275 1.718 -14.932 1.00 0.00 C ATOM 165 CG LEU A 10 -1.709 2.089 -14.553 1.00 0.00 C ATOM 166 CD1 LEU A 10 -1.752 3.468 -13.912 1.00 0.00 C ATOM 167 CD2 LEU A 10 -2.614 2.038 -15.775 1.00 0.00 C ATOM 0 H LEU A 10 0.216 -0.260 -13.541 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.970 0.051 -16.095 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.347 1.798 -14.041 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.093 2.455 -15.645 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.072 1.362 -13.827 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.781 3.715 -13.649 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.137 3.470 -13.012 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.370 4.208 -14.615 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.631 2.305 -15.486 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.253 2.742 -16.525 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.608 1.030 -16.191 1.00 0.00 H new ATOM 179 N GLY A 11 2.316 0.314 -15.927 1.00 0.00 N ATOM 180 CA GLY A 11 3.515 0.318 -16.744 1.00 0.00 C ATOM 181 C GLY A 11 3.621 -0.910 -17.626 1.00 0.00 C ATOM 182 O GLY A 11 3.974 -0.810 -18.800 1.00 0.00 O ATOM 0 H GLY A 11 2.483 0.294 -14.921 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.522 1.211 -17.368 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.391 0.374 -16.098 1.00 0.00 H new ATOM 186 N GLU A 12 3.315 -2.073 -17.058 1.00 0.00 N ATOM 187 CA GLU A 12 3.380 -3.325 -17.801 1.00 0.00 C ATOM 188 C GLU A 12 2.221 -3.434 -18.787 1.00 0.00 C ATOM 189 O GLU A 12 2.393 -3.891 -19.918 1.00 0.00 O ATOM 190 CB GLU A 12 3.360 -4.516 -16.840 1.00 0.00 C ATOM 191 CG GLU A 12 4.739 -4.936 -16.361 1.00 0.00 C ATOM 192 CD GLU A 12 5.555 -5.607 -17.449 1.00 0.00 C ATOM 193 OE1 GLU A 12 6.202 -4.887 -18.237 1.00 0.00 O ATOM 194 OE2 GLU A 12 5.546 -6.855 -17.511 1.00 0.00 O ATOM 0 H GLU A 12 3.020 -2.173 -16.087 1.00 0.00 H new ATOM 0 HA GLU A 12 4.314 -3.336 -18.363 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.746 -4.264 -15.976 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.883 -5.362 -17.334 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.276 -4.060 -15.998 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.634 -5.618 -15.517 1.00 0.00 H new ATOM 201 N LEU A 13 1.040 -3.011 -18.351 1.00 0.00 N ATOM 202 CA LEU A 13 -0.150 -3.060 -19.194 1.00 0.00 C ATOM 203 C LEU A 13 0.032 -2.204 -20.443 1.00 0.00 C ATOM 204 O LEU A 13 -0.348 -2.604 -21.545 1.00 0.00 O ATOM 205 CB LEU A 13 -1.375 -2.585 -18.411 1.00 0.00 C ATOM 206 CG LEU A 13 -2.049 -3.630 -17.520 1.00 0.00 C ATOM 207 CD1 LEU A 13 -3.163 -2.996 -16.703 1.00 0.00 C ATOM 208 CD2 LEU A 13 -2.588 -4.779 -18.360 1.00 0.00 C ATOM 0 H LEU A 13 0.880 -2.630 -17.418 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.303 -4.094 -19.503 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.078 -1.742 -17.787 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.113 -2.212 -19.121 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.303 -4.028 -16.832 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.631 -3.754 -16.075 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.749 -2.208 -16.073 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.909 -2.570 -17.374 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.064 -5.513 -17.710 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.319 -4.397 -19.073 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.767 -5.251 -18.900 1.00 0.00 H new ATOM 220 N THR A 14 0.618 -1.024 -20.266 1.00 0.00 N ATOM 221 CA THR A 14 0.852 -0.112 -21.378 1.00 0.00 C ATOM 222 C THR A 14 1.722 -0.761 -22.448 1.00 0.00 C ATOM 223 O THR A 14 1.449 -0.638 -23.641 1.00 0.00 O ATOM 224 CB THR A 14 1.526 1.190 -20.904 1.00 0.00 C ATOM 225 OG1 THR A 14 0.712 1.832 -19.916 1.00 0.00 O ATOM 226 CG2 THR A 14 1.755 2.137 -22.073 1.00 0.00 C ATOM 0 H THR A 14 0.939 -0.678 -19.362 1.00 0.00 H new ATOM 0 HA THR A 14 -0.123 0.126 -21.802 1.00 0.00 H new ATOM 0 HB THR A 14 2.492 0.935 -20.468 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.758 1.328 -19.077 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.232 3.049 -21.714 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.399 1.657 -22.810 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.799 2.384 -22.534 1.00 0.00 H new ATOM 234 N GLU A 15 2.771 -1.452 -22.012 1.00 0.00 N ATOM 235 CA GLU A 15 3.681 -2.121 -22.935 1.00 0.00 C ATOM 236 C GLU A 15 2.991 -3.293 -23.625 1.00 0.00 C ATOM 237 O GLU A 15 3.151 -3.501 -24.828 1.00 0.00 O ATOM 238 CB GLU A 15 4.925 -2.612 -22.192 1.00 0.00 C ATOM 239 CG GLU A 15 6.034 -1.576 -22.109 1.00 0.00 C ATOM 240 CD GLU A 15 6.858 -1.501 -23.379 1.00 0.00 C ATOM 241 OE1 GLU A 15 7.247 -2.567 -23.899 1.00 0.00 O ATOM 242 OE2 GLU A 15 7.114 -0.374 -23.854 1.00 0.00 O ATOM 0 H GLU A 15 3.011 -1.563 -21.027 1.00 0.00 H new ATOM 0 HA GLU A 15 3.982 -1.401 -23.696 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.641 -2.909 -21.183 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.308 -3.502 -22.691 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.598 -0.598 -21.905 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.687 -1.815 -21.270 1.00 0.00 H new ATOM 249 N VAL A 16 2.224 -4.058 -22.855 1.00 0.00 N ATOM 250 CA VAL A 16 1.509 -5.210 -23.392 1.00 0.00 C ATOM 251 C VAL A 16 0.459 -4.780 -24.410 1.00 0.00 C ATOM 252 O VAL A 16 0.363 -5.351 -25.497 1.00 0.00 O ATOM 253 CB VAL A 16 0.823 -6.016 -22.273 1.00 0.00 C ATOM 254 CG1 VAL A 16 0.058 -7.195 -22.856 1.00 0.00 C ATOM 255 CG2 VAL A 16 1.846 -6.487 -21.251 1.00 0.00 C ATOM 0 H VAL A 16 2.082 -3.901 -21.857 1.00 0.00 H new ATOM 0 HA VAL A 16 2.250 -5.841 -23.883 1.00 0.00 H new ATOM 0 HB VAL A 16 0.110 -5.366 -21.766 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.420 -7.753 -22.051 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.703 -6.830 -23.546 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.748 -7.848 -23.390 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.343 -7.055 -20.468 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.585 -7.121 -21.741 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.344 -5.623 -20.810 1.00 0.00 H new ATOM 265 N CYS A 17 -0.325 -3.770 -24.052 1.00 0.00 N ATOM 266 CA CYS A 17 -1.369 -3.262 -24.935 1.00 0.00 C ATOM 267 C CYS A 17 -0.765 -2.627 -26.183 1.00 0.00 C ATOM 268 O CYS A 17 -1.271 -2.805 -27.291 1.00 0.00 O ATOM 269 CB CYS A 17 -2.237 -2.241 -24.198 1.00 0.00 C ATOM 270 SG CYS A 17 -3.163 -2.928 -22.805 1.00 0.00 S ATOM 0 H CYS A 17 -0.258 -3.286 -23.156 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.991 -4.103 -25.242 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.601 -1.434 -23.835 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.939 -1.800 -24.905 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.385 -3.016 -21.767 1.00 0.00 H new ATOM 276 N LYS A 18 0.321 -1.883 -25.996 1.00 0.00 N ATOM 277 CA LYS A 18 0.995 -1.220 -27.105 1.00 0.00 C ATOM 278 C LYS A 18 1.583 -2.242 -28.074 1.00 0.00 C ATOM 279 O LYS A 18 1.412 -2.130 -29.287 1.00 0.00 O ATOM 280 CB LYS A 18 2.102 -0.303 -26.581 1.00 0.00 C ATOM 281 CG LYS A 18 1.590 1.017 -26.033 1.00 0.00 C ATOM 282 CD LYS A 18 2.678 1.773 -25.289 1.00 0.00 C ATOM 283 CE LYS A 18 2.305 3.234 -25.088 1.00 0.00 C ATOM 284 NZ LYS A 18 2.699 4.072 -26.254 1.00 0.00 N ATOM 0 H LYS A 18 0.753 -1.725 -25.086 1.00 0.00 H new ATOM 0 HA LYS A 18 0.258 -0.621 -27.639 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.652 -0.823 -25.797 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.808 -0.103 -27.387 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.215 1.631 -26.852 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.751 0.832 -25.362 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.851 1.304 -24.320 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.613 1.708 -25.846 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.230 3.316 -24.929 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.790 3.612 -24.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.699 5.074 -25.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.652 3.800 -26.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.022 3.927 -27.030 1.00 0.00 H new ATOM 298 N SER A 19 2.274 -3.238 -27.528 1.00 0.00 N ATOM 299 CA SER A 19 2.889 -4.278 -28.345 1.00 0.00 C ATOM 300 C SER A 19 1.830 -5.062 -29.114 1.00 0.00 C ATOM 301 O SER A 19 1.976 -5.318 -30.310 1.00 0.00 O ATOM 302 CB SER A 19 3.706 -5.228 -27.467 1.00 0.00 C ATOM 303 OG SER A 19 4.752 -5.833 -28.207 1.00 0.00 O ATOM 0 H SER A 19 2.422 -3.347 -26.525 1.00 0.00 H new ATOM 0 HA SER A 19 3.553 -3.797 -29.064 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.124 -4.679 -26.623 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.054 -5.999 -27.055 1.00 0.00 H new ATOM 0 HG SER A 19 5.260 -6.434 -27.623 1.00 0.00 H new ATOM 309 N LEU A 20 0.763 -5.442 -28.419 1.00 0.00 N ATOM 310 CA LEU A 20 -0.322 -6.197 -29.034 1.00 0.00 C ATOM 311 C LEU A 20 -0.989 -5.388 -30.142 1.00 0.00 C ATOM 312 O LEU A 20 -1.266 -5.906 -31.223 1.00 0.00 O ATOM 313 CB LEU A 20 -1.358 -6.591 -27.980 1.00 0.00 C ATOM 314 CG LEU A 20 -1.044 -7.847 -27.166 1.00 0.00 C ATOM 315 CD1 LEU A 20 -2.004 -7.978 -25.994 1.00 0.00 C ATOM 316 CD2 LEU A 20 -1.107 -9.084 -28.050 1.00 0.00 C ATOM 0 H LEU A 20 0.627 -5.239 -27.429 1.00 0.00 H new ATOM 0 HA LEU A 20 0.101 -7.100 -29.473 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.480 -5.756 -27.290 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.317 -6.736 -28.478 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.032 -7.757 -26.771 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.765 -8.877 -25.427 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.910 -7.105 -25.347 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.026 -8.045 -26.367 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.881 -9.969 -27.455 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.107 -9.178 -28.474 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.378 -8.993 -28.856 1.00 0.00 H new ATOM 328 N GLY A 21 -1.242 -4.112 -29.865 1.00 0.00 N ATOM 329 CA GLY A 21 -1.873 -3.251 -30.849 1.00 0.00 C ATOM 330 C GLY A 21 -0.952 -2.923 -32.007 1.00 0.00 C ATOM 331 O GLY A 21 -1.411 -2.656 -33.118 1.00 0.00 O ATOM 0 H GLY A 21 -1.022 -3.660 -28.978 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.771 -3.737 -31.230 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.190 -2.326 -30.368 1.00 0.00 H new ATOM 335 N LYS A 22 0.351 -2.942 -31.749 1.00 0.00 N ATOM 336 CA LYS A 22 1.339 -2.644 -32.779 1.00 0.00 C ATOM 337 C LYS A 22 1.455 -3.796 -33.772 1.00 0.00 C ATOM 338 O LYS A 22 1.457 -3.585 -34.985 1.00 0.00 O ATOM 339 CB LYS A 22 2.703 -2.367 -32.141 1.00 0.00 C ATOM 340 CG LYS A 22 2.913 -0.912 -31.761 1.00 0.00 C ATOM 341 CD LYS A 22 4.380 -0.522 -31.836 1.00 0.00 C ATOM 342 CE LYS A 22 4.548 0.960 -32.134 1.00 0.00 C ATOM 343 NZ LYS A 22 5.851 1.249 -32.793 1.00 0.00 N ATOM 0 H LYS A 22 0.748 -3.161 -30.835 1.00 0.00 H new ATOM 0 HA LYS A 22 1.009 -1.756 -33.318 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.810 -2.985 -31.250 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.487 -2.669 -32.835 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.331 -0.274 -32.426 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.542 -0.742 -30.751 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.870 -0.762 -30.893 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.874 -1.108 -32.611 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.734 1.296 -32.776 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.477 1.527 -31.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.927 2.269 -32.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.629 0.952 -32.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.909 0.728 -33.691 1.00 0.00 H new ATOM 357 N VAL A 23 1.550 -5.014 -33.249 1.00 0.00 N ATOM 358 CA VAL A 23 1.663 -6.200 -34.090 1.00 0.00 C ATOM 359 C VAL A 23 0.366 -6.463 -34.847 1.00 0.00 C ATOM 360 O VAL A 23 0.384 -6.842 -36.018 1.00 0.00 O ATOM 361 CB VAL A 23 2.020 -7.446 -33.258 1.00 0.00 C ATOM 362 CG1 VAL A 23 3.401 -7.297 -32.638 1.00 0.00 C ATOM 363 CG2 VAL A 23 0.969 -7.689 -32.185 1.00 0.00 C ATOM 0 H VAL A 23 1.551 -5.206 -32.247 1.00 0.00 H new ATOM 0 HA VAL A 23 2.464 -6.007 -34.804 1.00 0.00 H new ATOM 0 HB VAL A 23 2.037 -8.311 -33.921 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.636 -8.187 -32.054 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.143 -7.175 -33.427 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.416 -6.422 -31.988 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.237 -8.573 -31.607 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.918 -6.824 -31.523 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.002 -7.844 -32.655 1.00 0.00 H new ATOM 373 N PHE A 24 -0.759 -6.258 -34.170 1.00 0.00 N ATOM 374 CA PHE A 24 -2.067 -6.473 -34.779 1.00 0.00 C ATOM 375 C PHE A 24 -2.317 -5.469 -35.900 1.00 0.00 C ATOM 376 O PHE A 24 -3.190 -5.668 -36.744 1.00 0.00 O ATOM 377 CB PHE A 24 -3.169 -6.362 -33.724 1.00 0.00 C ATOM 378 CG PHE A 24 -3.585 -7.685 -33.149 1.00 0.00 C ATOM 379 CD1 PHE A 24 -4.010 -8.712 -33.977 1.00 0.00 C ATOM 380 CD2 PHE A 24 -3.552 -7.903 -31.781 1.00 0.00 C ATOM 381 CE1 PHE A 24 -4.394 -9.931 -33.451 1.00 0.00 C ATOM 382 CE2 PHE A 24 -3.936 -9.120 -31.249 1.00 0.00 C ATOM 383 CZ PHE A 24 -4.356 -10.136 -32.086 1.00 0.00 C ATOM 0 H PHE A 24 -0.792 -5.944 -33.200 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.081 -7.476 -35.204 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.824 -5.717 -32.916 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.039 -5.879 -34.169 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.041 -8.558 -35.045 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.222 -7.113 -31.123 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.724 -10.723 -34.107 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.908 -9.276 -30.181 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.654 -11.089 -31.673 1.00 0.00 H new ATOM 393 N GLY A 25 -1.543 -4.387 -35.901 1.00 0.00 N ATOM 394 CA GLY A 25 -1.696 -3.367 -36.921 1.00 0.00 C ATOM 395 C GLY A 25 -2.813 -2.392 -36.604 1.00 0.00 C ATOM 396 O GLY A 25 -3.651 -2.099 -37.456 1.00 0.00 O ATOM 0 H GLY A 25 -0.813 -4.200 -35.213 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.759 -2.820 -37.026 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.896 -3.844 -37.880 1.00 0.00 H new ATOM 400 N VAL A 26 -2.825 -1.889 -35.374 1.00 0.00 N ATOM 401 CA VAL A 26 -3.848 -0.942 -34.945 1.00 0.00 C ATOM 402 C VAL A 26 -3.283 0.062 -33.946 1.00 0.00 C ATOM 403 O VAL A 26 -2.090 0.046 -33.641 1.00 0.00 O ATOM 404 CB VAL A 26 -5.050 -1.664 -34.308 1.00 0.00 C ATOM 405 CG1 VAL A 26 -5.749 -2.544 -35.332 1.00 0.00 C ATOM 406 CG2 VAL A 26 -4.602 -2.483 -33.106 1.00 0.00 C ATOM 0 H VAL A 26 -2.138 -2.121 -34.657 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.184 -0.413 -35.837 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.762 -0.914 -33.964 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.595 -3.046 -34.863 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.104 -1.929 -36.159 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.049 -3.289 -35.709 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.463 -2.987 -32.668 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.870 -3.226 -33.424 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.151 -1.824 -32.364 1.00 0.00 H new ATOM 416 N HIS A 27 -4.148 0.934 -33.439 1.00 0.00 N ATOM 417 CA HIS A 27 -3.736 1.946 -32.473 1.00 0.00 C ATOM 418 C HIS A 27 -4.011 1.479 -31.047 1.00 0.00 C ATOM 419 O HIS A 27 -4.736 0.507 -30.830 1.00 0.00 O ATOM 420 CB HIS A 27 -4.464 3.264 -32.740 1.00 0.00 C ATOM 421 CG HIS A 27 -3.864 4.064 -33.854 1.00 0.00 C ATOM 422 ND1 HIS A 27 -4.602 4.558 -34.909 1.00 0.00 N ATOM 423 CD2 HIS A 27 -2.587 4.458 -34.074 1.00 0.00 C ATOM 424 CE1 HIS A 27 -3.806 5.220 -35.730 1.00 0.00 C ATOM 425 NE2 HIS A 27 -2.578 5.174 -35.246 1.00 0.00 N ATOM 0 H HIS A 27 -5.139 0.960 -33.681 1.00 0.00 H new ATOM 0 HA HIS A 27 -2.663 2.104 -32.585 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.507 3.052 -32.976 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.459 3.863 -31.830 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -1.735 4.248 -33.445 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.108 5.714 -36.641 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -1.756 5.601 -35.673 1.00 0.00 H new ATOM 433 N TYR A 28 -3.428 2.176 -30.078 1.00 0.00 N ATOM 434 CA TYR A 28 -3.608 1.831 -28.673 1.00 0.00 C ATOM 435 C TYR A 28 -5.038 2.114 -28.221 1.00 0.00 C ATOM 436 O TYR A 28 -5.645 1.315 -27.508 1.00 0.00 O ATOM 437 CB TYR A 28 -2.623 2.613 -27.803 1.00 0.00 C ATOM 438 CG TYR A 28 -1.213 2.630 -28.351 1.00 0.00 C ATOM 439 CD1 TYR A 28 -0.640 1.482 -28.883 1.00 0.00 C ATOM 440 CD2 TYR A 28 -0.454 3.794 -28.335 1.00 0.00 C ATOM 441 CE1 TYR A 28 0.647 1.492 -29.384 1.00 0.00 C ATOM 442 CE2 TYR A 28 0.833 3.814 -28.835 1.00 0.00 C ATOM 443 CZ TYR A 28 1.380 2.661 -29.358 1.00 0.00 C ATOM 444 OH TYR A 28 2.663 2.676 -29.855 1.00 0.00 O ATOM 0 H TYR A 28 -2.826 2.984 -30.240 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.414 0.764 -28.560 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.977 3.639 -27.701 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.610 2.179 -26.803 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.211 0.565 -28.905 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.878 4.698 -27.924 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.077 0.590 -29.794 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.408 4.728 -28.817 1.00 0.00 H new ATOM 0 HH TYR A 28 3.039 3.576 -29.763 1.00 0.00 H new ATOM 454 N PHE A 29 -5.569 3.256 -28.643 1.00 0.00 N ATOM 455 CA PHE A 29 -6.928 3.646 -28.283 1.00 0.00 C ATOM 456 C PHE A 29 -7.952 2.757 -28.981 1.00 0.00 C ATOM 457 O PHE A 29 -9.128 2.746 -28.620 1.00 0.00 O ATOM 458 CB PHE A 29 -7.174 5.111 -28.648 1.00 0.00 C ATOM 459 CG PHE A 29 -8.571 5.576 -28.352 1.00 0.00 C ATOM 460 CD1 PHE A 29 -9.177 5.267 -27.145 1.00 0.00 C ATOM 461 CD2 PHE A 29 -9.279 6.322 -29.282 1.00 0.00 C ATOM 462 CE1 PHE A 29 -10.463 5.694 -26.870 1.00 0.00 C ATOM 463 CE2 PHE A 29 -10.564 6.752 -29.011 1.00 0.00 C ATOM 464 CZ PHE A 29 -11.157 6.436 -27.804 1.00 0.00 C ATOM 0 H PHE A 29 -5.080 3.928 -29.234 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.041 3.523 -27.206 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.468 5.737 -28.102 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.970 5.252 -29.709 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.639 4.686 -26.411 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.821 6.570 -30.228 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -10.924 5.447 -25.925 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -11.104 7.335 -29.742 1.00 0.00 H new ATOM 0 HZ PHE A 29 -12.162 6.769 -27.592 1.00 0.00 H new ATOM 474 N ASN A 30 -7.496 2.012 -29.982 1.00 0.00 N ATOM 475 CA ASN A 30 -8.372 1.120 -30.733 1.00 0.00 C ATOM 476 C ASN A 30 -8.620 -0.173 -29.962 1.00 0.00 C ATOM 477 O ASN A 30 -9.568 -0.906 -30.248 1.00 0.00 O ATOM 478 CB ASN A 30 -7.762 0.803 -32.100 1.00 0.00 C ATOM 479 CG ASN A 30 -8.807 0.380 -33.115 1.00 0.00 C ATOM 480 OD1 ASN A 30 -8.982 -0.808 -33.383 1.00 0.00 O ATOM 481 ND2 ASN A 30 -9.507 1.355 -33.684 1.00 0.00 N ATOM 0 H ASN A 30 -6.524 2.008 -30.292 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.327 1.626 -30.878 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -7.233 1.681 -32.471 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.024 0.009 -31.990 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.224 1.132 -34.374 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.327 2.327 -33.431 1.00 0.00 H new ATOM 488 N ILE A 31 -7.763 -0.447 -28.984 1.00 0.00 N ATOM 489 CA ILE A 31 -7.890 -1.650 -28.172 1.00 0.00 C ATOM 490 C ILE A 31 -8.239 -1.305 -26.728 1.00 0.00 C ATOM 491 O ILE A 31 -9.074 -1.962 -26.106 1.00 0.00 O ATOM 492 CB ILE A 31 -6.594 -2.482 -28.190 1.00 0.00 C ATOM 493 CG1 ILE A 31 -5.379 -1.576 -27.976 1.00 0.00 C ATOM 494 CG2 ILE A 31 -6.470 -3.242 -29.502 1.00 0.00 C ATOM 495 CD1 ILE A 31 -4.060 -2.317 -28.012 1.00 0.00 C ATOM 0 H ILE A 31 -6.973 0.148 -28.735 1.00 0.00 H new ATOM 0 HA ILE A 31 -8.697 -2.240 -28.607 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.633 -3.206 -27.376 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.373 -0.802 -28.744 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.477 -1.071 -27.015 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.549 -3.825 -29.499 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.323 -3.911 -29.617 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.449 -2.535 -30.331 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.243 -1.613 -27.853 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.046 -3.073 -27.227 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.940 -2.800 -28.982 1.00 0.00 H new ATOM 507 N PHE A 32 -7.596 -0.268 -26.202 1.00 0.00 N ATOM 508 CA PHE A 32 -7.839 0.167 -24.831 1.00 0.00 C ATOM 509 C PHE A 32 -7.609 1.669 -24.688 1.00 0.00 C ATOM 510 O PHE A 32 -6.739 2.239 -25.344 1.00 0.00 O ATOM 511 CB PHE A 32 -6.929 -0.594 -23.864 1.00 0.00 C ATOM 512 CG PHE A 32 -7.416 -1.980 -23.549 1.00 0.00 C ATOM 513 CD1 PHE A 32 -8.682 -2.181 -23.024 1.00 0.00 C ATOM 514 CD2 PHE A 32 -6.606 -3.081 -23.777 1.00 0.00 C ATOM 515 CE1 PHE A 32 -9.133 -3.455 -22.733 1.00 0.00 C ATOM 516 CE2 PHE A 32 -7.052 -4.357 -23.489 1.00 0.00 C ATOM 517 CZ PHE A 32 -8.316 -4.544 -22.964 1.00 0.00 C ATOM 0 H PHE A 32 -6.903 0.287 -26.704 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.879 -0.048 -24.587 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.929 -0.657 -24.292 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.843 -0.028 -22.936 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.324 -1.332 -22.840 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.616 -2.940 -24.184 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.123 -3.598 -22.326 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.413 -5.207 -23.674 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.665 -5.540 -22.735 1.00 0.00 H new ATOM 527 N ASN A 33 -8.397 2.302 -23.826 1.00 0.00 N ATOM 528 CA ASN A 33 -8.282 3.738 -23.596 1.00 0.00 C ATOM 529 C ASN A 33 -7.692 4.023 -22.219 1.00 0.00 C ATOM 530 O ASN A 33 -7.631 3.140 -21.362 1.00 0.00 O ATOM 531 CB ASN A 33 -9.651 4.408 -23.726 1.00 0.00 C ATOM 532 CG ASN A 33 -9.545 5.912 -23.888 1.00 0.00 C ATOM 533 OD1 ASN A 33 -8.477 6.441 -24.196 1.00 0.00 O ATOM 534 ND2 ASN A 33 -10.656 6.609 -23.680 1.00 0.00 N ATOM 0 H ASN A 33 -9.123 1.844 -23.275 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.611 4.149 -24.351 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -10.178 3.989 -24.583 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.249 4.182 -22.843 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.646 7.625 -23.774 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.519 6.129 -23.426 1.00 0.00 H new ATOM 541 N THR A 34 -7.259 5.262 -22.011 1.00 0.00 N ATOM 542 CA THR A 34 -6.673 5.665 -20.738 1.00 0.00 C ATOM 543 C THR A 34 -7.587 5.300 -19.574 1.00 0.00 C ATOM 544 O THR A 34 -7.141 4.736 -18.575 1.00 0.00 O ATOM 545 CB THR A 34 -6.394 7.179 -20.702 1.00 0.00 C ATOM 546 OG1 THR A 34 -5.686 7.575 -21.883 1.00 0.00 O ATOM 547 CG2 THR A 34 -5.582 7.550 -19.470 1.00 0.00 C ATOM 0 H THR A 34 -7.303 6.005 -22.708 1.00 0.00 H new ATOM 0 HA THR A 34 -5.730 5.128 -20.639 1.00 0.00 H new ATOM 0 HB THR A 34 -7.350 7.702 -20.659 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.514 8.539 -21.853 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.397 8.624 -19.466 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.136 7.274 -18.573 1.00 0.00 H new ATOM 0 HG23 THR A 34 -4.631 7.018 -19.488 1.00 0.00 H new ATOM 555 N VAL A 35 -8.869 5.625 -19.709 1.00 0.00 N ATOM 556 CA VAL A 35 -9.846 5.330 -18.668 1.00 0.00 C ATOM 557 C VAL A 35 -9.925 3.832 -18.397 1.00 0.00 C ATOM 558 O VAL A 35 -9.844 3.391 -17.250 1.00 0.00 O ATOM 559 CB VAL A 35 -11.246 5.847 -19.049 1.00 0.00 C ATOM 560 CG1 VAL A 35 -12.218 5.657 -17.895 1.00 0.00 C ATOM 561 CG2 VAL A 35 -11.179 7.308 -19.466 1.00 0.00 C ATOM 0 H VAL A 35 -9.255 6.093 -20.529 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.511 5.842 -17.766 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.610 5.267 -19.897 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.202 6.028 -18.183 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.288 4.597 -17.649 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.862 6.209 -17.025 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.177 7.657 -19.732 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.794 7.905 -18.639 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.518 7.411 -20.326 1.00 0.00 H new ATOM 571 N THR A 36 -10.084 3.051 -19.462 1.00 0.00 N ATOM 572 CA THR A 36 -10.175 1.602 -19.340 1.00 0.00 C ATOM 573 C THR A 36 -8.949 1.031 -18.637 1.00 0.00 C ATOM 574 O THR A 36 -9.069 0.244 -17.697 1.00 0.00 O ATOM 575 CB THR A 36 -10.321 0.930 -20.718 1.00 0.00 C ATOM 576 OG1 THR A 36 -11.513 1.391 -21.364 1.00 0.00 O ATOM 577 CG2 THR A 36 -10.366 -0.584 -20.581 1.00 0.00 C ATOM 0 H THR A 36 -10.152 3.399 -20.418 1.00 0.00 H new ATOM 0 HA THR A 36 -11.063 1.391 -18.745 1.00 0.00 H new ATOM 0 HB THR A 36 -9.454 1.198 -21.321 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.598 0.960 -22.240 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.469 -1.036 -21.568 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.445 -0.935 -20.116 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.216 -0.868 -19.961 1.00 0.00 H new ATOM 585 N LEU A 37 -7.769 1.433 -19.096 1.00 0.00 N ATOM 586 CA LEU A 37 -6.519 0.962 -18.510 1.00 0.00 C ATOM 587 C LEU A 37 -6.447 1.310 -17.027 1.00 0.00 C ATOM 588 O LEU A 37 -6.017 0.499 -16.207 1.00 0.00 O ATOM 589 CB LEU A 37 -5.325 1.571 -19.247 1.00 0.00 C ATOM 590 CG LEU A 37 -5.220 1.249 -20.738 1.00 0.00 C ATOM 591 CD1 LEU A 37 -4.339 2.267 -21.444 1.00 0.00 C ATOM 592 CD2 LEU A 37 -4.680 -0.159 -20.942 1.00 0.00 C ATOM 0 H LEU A 37 -7.652 2.084 -19.872 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.486 -0.123 -18.612 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.367 2.654 -19.132 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.411 1.234 -18.758 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.218 1.301 -21.172 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.276 2.021 -22.504 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.768 3.262 -21.327 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.340 2.249 -21.008 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.612 -0.371 -22.009 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.690 -0.238 -20.492 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.351 -0.878 -20.471 1.00 0.00 H new ATOM 604 N LYS A 38 -6.874 2.522 -16.688 1.00 0.00 N ATOM 605 CA LYS A 38 -6.862 2.979 -15.303 1.00 0.00 C ATOM 606 C LYS A 38 -7.767 2.109 -14.436 1.00 0.00 C ATOM 607 O LYS A 38 -7.413 1.755 -13.312 1.00 0.00 O ATOM 608 CB LYS A 38 -7.311 4.439 -15.222 1.00 0.00 C ATOM 609 CG LYS A 38 -6.961 5.111 -13.906 1.00 0.00 C ATOM 610 CD LYS A 38 -7.782 6.371 -13.687 1.00 0.00 C ATOM 611 CE LYS A 38 -7.303 7.509 -14.576 1.00 0.00 C ATOM 612 NZ LYS A 38 -7.641 8.841 -14.002 1.00 0.00 N ATOM 0 H LYS A 38 -7.233 3.206 -17.354 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.842 2.898 -14.929 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.853 4.997 -16.038 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.390 4.487 -15.369 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.134 4.416 -13.084 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.900 5.361 -13.895 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.832 6.163 -13.894 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.717 6.672 -12.641 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.224 7.435 -14.711 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.755 7.414 -15.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.298 9.590 -14.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.672 8.922 -13.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.189 8.943 -13.071 1.00 0.00 H new ATOM 626 N LYS A 39 -8.936 1.767 -14.967 1.00 0.00 N ATOM 627 CA LYS A 39 -9.892 0.937 -14.243 1.00 0.00 C ATOM 628 C LYS A 39 -9.316 -0.450 -13.978 1.00 0.00 C ATOM 629 O LYS A 39 -9.362 -0.948 -12.852 1.00 0.00 O ATOM 630 CB LYS A 39 -11.196 0.816 -15.035 1.00 0.00 C ATOM 631 CG LYS A 39 -12.062 2.062 -14.974 1.00 0.00 C ATOM 632 CD LYS A 39 -13.524 1.738 -15.233 1.00 0.00 C ATOM 633 CE LYS A 39 -14.446 2.742 -14.557 1.00 0.00 C ATOM 634 NZ LYS A 39 -15.746 2.869 -15.272 1.00 0.00 N ATOM 0 H LYS A 39 -9.244 2.052 -15.897 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.098 1.415 -13.285 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -10.960 0.598 -16.077 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -11.766 -0.031 -14.654 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -11.960 2.530 -13.995 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -11.713 2.785 -15.711 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.712 1.735 -16.307 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.746 0.735 -14.868 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.626 2.434 -13.527 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -13.957 3.715 -14.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.346 3.562 -14.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.576 3.188 -16.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.225 1.946 -15.288 1.00 0.00 H new ATOM 648 N LEU A 40 -8.772 -1.069 -15.020 1.00 0.00 N ATOM 649 CA LEU A 40 -8.184 -2.399 -14.899 1.00 0.00 C ATOM 650 C LEU A 40 -7.065 -2.408 -13.863 1.00 0.00 C ATOM 651 O LEU A 40 -7.129 -3.135 -12.872 1.00 0.00 O ATOM 652 CB LEU A 40 -7.645 -2.865 -16.253 1.00 0.00 C ATOM 653 CG LEU A 40 -8.648 -2.873 -17.408 1.00 0.00 C ATOM 654 CD1 LEU A 40 -7.923 -2.817 -18.744 1.00 0.00 C ATOM 655 CD2 LEU A 40 -9.537 -4.106 -17.333 1.00 0.00 C ATOM 0 H LEU A 40 -8.726 -0.671 -15.958 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.964 -3.085 -14.570 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.808 -2.223 -16.529 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.248 -3.873 -16.136 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.279 -1.988 -17.323 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.652 -2.824 -19.554 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.329 -1.905 -18.798 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.268 -3.683 -18.839 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.244 -4.095 -18.162 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.921 -5.003 -17.393 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.083 -4.104 -16.390 1.00 0.00 H new ATOM 667 N ALA A 41 -6.042 -1.593 -14.098 1.00 0.00 N ATOM 668 CA ALA A 41 -4.911 -1.503 -13.183 1.00 0.00 C ATOM 669 C ALA A 41 -5.375 -1.182 -11.766 1.00 0.00 C ATOM 670 O ALA A 41 -4.820 -1.689 -10.792 1.00 0.00 O ATOM 671 CB ALA A 41 -3.922 -0.454 -13.668 1.00 0.00 C ATOM 0 H ALA A 41 -5.973 -0.986 -14.914 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.414 -2.473 -13.163 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.082 -0.398 -12.975 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.558 -0.728 -14.658 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.416 0.516 -13.719 1.00 0.00 H new ATOM 677 N GLU A 42 -6.394 -0.335 -11.660 1.00 0.00 N ATOM 678 CA GLU A 42 -6.931 0.055 -10.361 1.00 0.00 C ATOM 679 C GLU A 42 -7.497 -1.154 -9.622 1.00 0.00 C ATOM 680 O GLU A 42 -7.244 -1.341 -8.432 1.00 0.00 O ATOM 681 CB GLU A 42 -8.018 1.118 -10.532 1.00 0.00 C ATOM 682 CG GLU A 42 -7.485 2.540 -10.523 1.00 0.00 C ATOM 683 CD GLU A 42 -7.558 3.182 -9.151 1.00 0.00 C ATOM 684 OE1 GLU A 42 -7.594 2.438 -8.149 1.00 0.00 O ATOM 685 OE2 GLU A 42 -7.579 4.429 -9.080 1.00 0.00 O ATOM 0 H GLU A 42 -6.864 0.094 -12.457 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.116 0.472 -9.769 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.542 0.941 -11.471 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.751 1.008 -9.732 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.450 2.538 -10.864 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.054 3.142 -11.232 1.00 0.00 H new ATOM 692 N SER A 43 -8.265 -1.971 -10.336 1.00 0.00 N ATOM 693 CA SER A 43 -8.871 -3.159 -9.747 1.00 0.00 C ATOM 694 C SER A 43 -7.815 -4.223 -9.461 1.00 0.00 C ATOM 695 O SER A 43 -7.747 -4.765 -8.357 1.00 0.00 O ATOM 696 CB SER A 43 -9.943 -3.726 -10.680 1.00 0.00 C ATOM 697 OG SER A 43 -10.804 -4.613 -9.988 1.00 0.00 O ATOM 0 H SER A 43 -8.482 -1.832 -11.323 1.00 0.00 H new ATOM 0 HA SER A 43 -9.335 -2.870 -8.804 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.525 -2.910 -11.109 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.468 -4.249 -11.510 1.00 0.00 H new ATOM 0 HG SER A 43 -10.305 -5.414 -9.724 1.00 0.00 H new ATOM 703 N LEU A 44 -6.994 -4.516 -10.463 1.00 0.00 N ATOM 704 CA LEU A 44 -5.940 -5.515 -10.320 1.00 0.00 C ATOM 705 C LEU A 44 -6.501 -6.825 -9.774 1.00 0.00 C ATOM 706 O LEU A 44 -6.347 -7.133 -8.593 1.00 0.00 O ATOM 707 CB LEU A 44 -4.838 -4.995 -9.396 1.00 0.00 C ATOM 708 CG LEU A 44 -3.646 -4.327 -10.083 1.00 0.00 C ATOM 709 CD1 LEU A 44 -3.021 -3.283 -9.171 1.00 0.00 C ATOM 710 CD2 LEU A 44 -2.614 -5.368 -10.491 1.00 0.00 C ATOM 0 H LEU A 44 -7.037 -4.077 -11.383 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.518 -5.705 -11.307 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.280 -4.279 -8.703 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.468 -5.829 -8.800 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.003 -3.826 -10.983 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.174 -2.818 -9.676 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.762 -2.521 -8.929 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.678 -3.760 -8.253 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.773 -4.875 -10.978 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.261 -5.897 -9.606 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.068 -6.079 -11.182 1.00 0.00 H new ATOM 722 N SER A 45 -7.151 -7.592 -10.644 1.00 0.00 N ATOM 723 CA SER A 45 -7.736 -8.868 -10.249 1.00 0.00 C ATOM 724 C SER A 45 -7.960 -9.762 -11.464 1.00 0.00 C ATOM 725 O SER A 45 -8.444 -9.309 -12.501 1.00 0.00 O ATOM 726 CB SER A 45 -9.060 -8.641 -9.517 1.00 0.00 C ATOM 727 OG SER A 45 -9.210 -7.282 -9.144 1.00 0.00 O ATOM 0 H SER A 45 -7.286 -7.352 -11.626 1.00 0.00 H new ATOM 0 HA SER A 45 -7.038 -9.367 -9.577 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.889 -8.939 -10.158 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.101 -9.272 -8.629 1.00 0.00 H new ATOM 0 HG SER A 45 -10.064 -7.163 -8.679 1.00 0.00 H new ATOM 733 N SER A 46 -7.605 -11.036 -11.327 1.00 0.00 N ATOM 734 CA SER A 46 -7.763 -11.995 -12.415 1.00 0.00 C ATOM 735 C SER A 46 -9.239 -12.220 -12.730 1.00 0.00 C ATOM 736 O SER A 46 -9.628 -12.316 -13.894 1.00 0.00 O ATOM 737 CB SER A 46 -7.099 -13.324 -12.051 1.00 0.00 C ATOM 738 OG SER A 46 -6.431 -13.237 -10.805 1.00 0.00 O ATOM 0 H SER A 46 -7.206 -11.428 -10.474 1.00 0.00 H new ATOM 0 HA SER A 46 -7.278 -11.586 -13.301 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.852 -14.111 -12.009 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.389 -13.604 -12.829 1.00 0.00 H new ATOM 0 HG SER A 46 -6.701 -13.988 -10.236 1.00 0.00 H new ATOM 744 N ASP A 47 -10.054 -12.302 -11.685 1.00 0.00 N ATOM 745 CA ASP A 47 -11.488 -12.515 -11.849 1.00 0.00 C ATOM 746 C ASP A 47 -12.052 -11.604 -12.935 1.00 0.00 C ATOM 747 O ASP A 47 -12.217 -10.399 -12.745 1.00 0.00 O ATOM 748 CB ASP A 47 -12.216 -12.265 -10.527 1.00 0.00 C ATOM 749 CG ASP A 47 -11.933 -13.341 -9.498 1.00 0.00 C ATOM 750 OD1 ASP A 47 -10.935 -14.073 -9.664 1.00 0.00 O ATOM 751 OD2 ASP A 47 -12.709 -13.451 -8.526 1.00 0.00 O ATOM 0 H ASP A 47 -9.747 -12.224 -10.715 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.645 -13.550 -12.151 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.915 -11.296 -10.128 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.289 -12.215 -10.710 1.00 0.00 H new ATOM 756 N PRO A 48 -12.353 -12.191 -14.102 1.00 0.00 N ATOM 757 CA PRO A 48 -12.903 -11.451 -15.242 1.00 0.00 C ATOM 758 C PRO A 48 -14.333 -10.984 -14.995 1.00 0.00 C ATOM 759 O PRO A 48 -14.893 -10.226 -15.786 1.00 0.00 O ATOM 760 CB PRO A 48 -12.863 -12.473 -16.381 1.00 0.00 C ATOM 761 CG PRO A 48 -12.911 -13.798 -15.703 1.00 0.00 C ATOM 762 CD PRO A 48 -12.182 -13.623 -14.400 1.00 0.00 C ATOM 0 HA PRO A 48 -12.339 -10.541 -15.447 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.707 -12.344 -17.058 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.957 -12.366 -16.977 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -13.941 -14.113 -15.535 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.438 -14.567 -16.314 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.606 -14.250 -13.615 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.129 -13.892 -14.489 1.00 0.00 H new ATOM 770 N GLU A 49 -14.919 -11.443 -13.893 1.00 0.00 N ATOM 771 CA GLU A 49 -16.285 -11.071 -13.544 1.00 0.00 C ATOM 772 C GLU A 49 -16.374 -9.588 -13.198 1.00 0.00 C ATOM 773 O GLU A 49 -17.237 -8.871 -13.705 1.00 0.00 O ATOM 774 CB GLU A 49 -16.779 -11.912 -12.364 1.00 0.00 C ATOM 775 CG GLU A 49 -16.840 -13.401 -12.661 1.00 0.00 C ATOM 776 CD GLU A 49 -17.530 -13.706 -13.976 1.00 0.00 C ATOM 777 OE1 GLU A 49 -18.776 -13.796 -13.985 1.00 0.00 O ATOM 778 OE2 GLU A 49 -16.825 -13.856 -14.996 1.00 0.00 O ATOM 0 H GLU A 49 -14.470 -12.072 -13.228 1.00 0.00 H new ATOM 0 HA GLU A 49 -16.919 -11.262 -14.409 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -16.121 -11.747 -11.511 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -17.771 -11.567 -12.073 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.828 -13.805 -12.684 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -17.367 -13.908 -11.852 1.00 0.00 H new ATOM 785 N VAL A 50 -15.476 -9.134 -12.329 1.00 0.00 N ATOM 786 CA VAL A 50 -15.452 -7.736 -11.915 1.00 0.00 C ATOM 787 C VAL A 50 -15.040 -6.828 -13.068 1.00 0.00 C ATOM 788 O VAL A 50 -15.503 -5.691 -13.174 1.00 0.00 O ATOM 789 CB VAL A 50 -14.487 -7.517 -10.734 1.00 0.00 C ATOM 790 CG1 VAL A 50 -14.864 -8.412 -9.564 1.00 0.00 C ATOM 791 CG2 VAL A 50 -13.051 -7.768 -11.167 1.00 0.00 C ATOM 0 H VAL A 50 -14.756 -9.714 -11.898 1.00 0.00 H new ATOM 0 HA VAL A 50 -16.464 -7.482 -11.600 1.00 0.00 H new ATOM 0 HB VAL A 50 -14.568 -6.480 -10.408 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -14.172 -8.244 -8.739 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -15.878 -8.179 -9.240 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.813 -9.456 -9.873 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.383 -7.609 -10.321 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.952 -8.794 -11.520 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -12.788 -7.081 -11.971 1.00 0.00 H new ATOM 801 N LEU A 51 -14.167 -7.336 -13.931 1.00 0.00 N ATOM 802 CA LEU A 51 -13.692 -6.571 -15.079 1.00 0.00 C ATOM 803 C LEU A 51 -14.814 -6.353 -16.090 1.00 0.00 C ATOM 804 O LEU A 51 -14.899 -5.299 -16.721 1.00 0.00 O ATOM 805 CB LEU A 51 -12.521 -7.292 -15.748 1.00 0.00 C ATOM 806 CG LEU A 51 -11.482 -7.901 -14.806 1.00 0.00 C ATOM 807 CD1 LEU A 51 -10.435 -8.674 -15.594 1.00 0.00 C ATOM 808 CD2 LEU A 51 -10.825 -6.817 -13.963 1.00 0.00 C ATOM 0 H LEU A 51 -13.774 -8.274 -13.858 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.355 -5.598 -14.722 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.921 -8.087 -16.378 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.015 -6.587 -16.408 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.990 -8.596 -14.137 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.704 -9.100 -14.907 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.918 -9.475 -16.153 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.931 -8.001 -16.288 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.089 -7.269 -13.299 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.331 -6.097 -14.616 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.584 -6.307 -13.370 1.00 0.00 H new ATOM 820 N LEU A 52 -15.673 -7.355 -16.238 1.00 0.00 N ATOM 821 CA LEU A 52 -16.792 -7.273 -17.170 1.00 0.00 C ATOM 822 C LEU A 52 -17.693 -6.088 -16.836 1.00 0.00 C ATOM 823 O LEU A 52 -18.415 -5.585 -17.696 1.00 0.00 O ATOM 824 CB LEU A 52 -17.603 -8.569 -17.140 1.00 0.00 C ATOM 825 CG LEU A 52 -18.712 -8.691 -18.186 1.00 0.00 C ATOM 826 CD1 LEU A 52 -18.916 -10.146 -18.580 1.00 0.00 C ATOM 827 CD2 LEU A 52 -20.009 -8.093 -17.661 1.00 0.00 C ATOM 0 H LEU A 52 -15.616 -8.234 -15.724 1.00 0.00 H new ATOM 0 HA LEU A 52 -16.388 -7.128 -18.172 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -16.917 -9.406 -17.268 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -18.051 -8.671 -16.151 1.00 0.00 H new ATOM 0 HG LEU A 52 -18.411 -8.134 -19.073 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -19.709 -10.213 -19.325 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -17.991 -10.543 -18.998 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -19.195 -10.726 -17.700 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -20.787 -8.189 -18.419 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -20.315 -8.622 -16.758 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -19.856 -7.039 -17.429 1.00 0.00 H new ATOM 839 N GLN A 53 -17.642 -5.647 -15.583 1.00 0.00 N ATOM 840 CA GLN A 53 -18.453 -4.520 -15.137 1.00 0.00 C ATOM 841 C GLN A 53 -17.804 -3.196 -15.525 1.00 0.00 C ATOM 842 O GLN A 53 -18.340 -2.124 -15.239 1.00 0.00 O ATOM 843 CB GLN A 53 -18.655 -4.579 -13.622 1.00 0.00 C ATOM 844 CG GLN A 53 -17.629 -3.775 -12.840 1.00 0.00 C ATOM 845 CD GLN A 53 -17.369 -4.346 -11.460 1.00 0.00 C ATOM 846 OE1 GLN A 53 -18.217 -5.032 -10.889 1.00 0.00 O ATOM 847 NE2 GLN A 53 -16.190 -4.066 -10.915 1.00 0.00 N ATOM 0 H GLN A 53 -17.048 -6.052 -14.859 1.00 0.00 H new ATOM 0 HA GLN A 53 -19.424 -4.585 -15.628 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -19.652 -4.211 -13.382 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -18.613 -5.619 -13.298 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -16.694 -3.745 -13.399 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -17.976 -2.746 -12.744 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -15.516 -3.493 -11.423 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -15.959 -4.424 -9.988 1.00 0.00 H new ATOM 856 N ILE A 54 -16.649 -3.277 -16.176 1.00 0.00 N ATOM 857 CA ILE A 54 -15.928 -2.084 -16.603 1.00 0.00 C ATOM 858 C ILE A 54 -16.327 -1.677 -18.017 1.00 0.00 C ATOM 859 O ILE A 54 -16.211 -2.464 -18.957 1.00 0.00 O ATOM 860 CB ILE A 54 -14.404 -2.299 -16.554 1.00 0.00 C ATOM 861 CG1 ILE A 54 -13.971 -2.719 -15.147 1.00 0.00 C ATOM 862 CG2 ILE A 54 -13.676 -1.034 -16.983 1.00 0.00 C ATOM 863 CD1 ILE A 54 -12.498 -3.043 -15.040 1.00 0.00 C ATOM 0 H ILE A 54 -16.192 -4.156 -16.419 1.00 0.00 H new ATOM 0 HA ILE A 54 -16.197 -1.288 -15.909 1.00 0.00 H new ATOM 0 HB ILE A 54 -14.142 -3.098 -17.248 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.210 -1.918 -14.448 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.550 -3.591 -14.843 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.600 -1.202 -16.943 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.965 -0.775 -18.002 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.941 -0.217 -16.312 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.263 -3.333 -14.016 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.256 -3.865 -15.714 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.912 -2.166 -15.313 1.00 0.00 H new ATOM 875 N ASP A 55 -16.796 -0.443 -18.162 1.00 0.00 N ATOM 876 CA ASP A 55 -17.210 0.071 -19.463 1.00 0.00 C ATOM 877 C ASP A 55 -16.094 -0.091 -20.490 1.00 0.00 C ATOM 878 O ASP A 55 -14.962 0.334 -20.264 1.00 0.00 O ATOM 879 CB ASP A 55 -17.608 1.543 -19.350 1.00 0.00 C ATOM 880 CG ASP A 55 -18.607 1.956 -20.414 1.00 0.00 C ATOM 881 OD1 ASP A 55 -19.633 1.259 -20.567 1.00 0.00 O ATOM 882 OD2 ASP A 55 -18.364 2.975 -21.092 1.00 0.00 O ATOM 0 H ASP A 55 -16.899 0.221 -17.394 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.073 -0.505 -19.797 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -18.035 1.726 -18.364 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -16.716 2.165 -19.432 1.00 0.00 H new ATOM 887 N GLY A 56 -16.423 -0.709 -21.621 1.00 0.00 N ATOM 888 CA GLY A 56 -15.437 -0.917 -22.666 1.00 0.00 C ATOM 889 C GLY A 56 -14.649 -2.197 -22.473 1.00 0.00 C ATOM 890 O GLY A 56 -13.421 -2.198 -22.566 1.00 0.00 O ATOM 0 H GLY A 56 -17.354 -1.069 -21.832 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.938 -0.945 -23.634 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.750 -0.071 -22.687 1.00 0.00 H new ATOM 894 N VAL A 57 -15.355 -3.290 -22.202 1.00 0.00 N ATOM 895 CA VAL A 57 -14.713 -4.582 -21.994 1.00 0.00 C ATOM 896 C VAL A 57 -15.619 -5.724 -22.441 1.00 0.00 C ATOM 897 O VAL A 57 -16.554 -6.103 -21.735 1.00 0.00 O ATOM 898 CB VAL A 57 -14.335 -4.790 -20.516 1.00 0.00 C ATOM 899 CG1 VAL A 57 -13.694 -6.155 -20.315 1.00 0.00 C ATOM 900 CG2 VAL A 57 -13.408 -3.681 -20.042 1.00 0.00 C ATOM 0 H VAL A 57 -16.372 -3.306 -22.121 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.805 -4.585 -22.597 1.00 0.00 H new ATOM 0 HB VAL A 57 -15.245 -4.752 -19.918 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.434 -6.284 -19.264 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.396 -6.934 -20.613 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.792 -6.227 -20.923 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -13.151 -3.844 -18.995 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.499 -3.685 -20.644 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.909 -2.719 -20.147 1.00 0.00 H new ATOM 910 N THR A 58 -15.336 -6.270 -23.620 1.00 0.00 N ATOM 911 CA THR A 58 -16.126 -7.368 -24.163 1.00 0.00 C ATOM 912 C THR A 58 -15.418 -8.704 -23.965 1.00 0.00 C ATOM 913 O THR A 58 -14.251 -8.747 -23.577 1.00 0.00 O ATOM 914 CB THR A 58 -16.410 -7.168 -25.663 1.00 0.00 C ATOM 915 OG1 THR A 58 -15.220 -7.409 -26.423 1.00 0.00 O ATOM 916 CG2 THR A 58 -16.914 -5.759 -25.935 1.00 0.00 C ATOM 0 H THR A 58 -14.565 -5.969 -24.217 1.00 0.00 H new ATOM 0 HA THR A 58 -17.071 -7.376 -23.620 1.00 0.00 H new ATOM 0 HB THR A 58 -17.182 -7.877 -25.962 1.00 0.00 H new ATOM 0 HG1 THR A 58 -15.409 -7.282 -27.376 1.00 0.00 H new ATOM 0 HG21 THR A 58 -17.108 -5.641 -27.001 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.835 -5.588 -25.378 1.00 0.00 H new ATOM 0 HG23 THR A 58 -16.161 -5.036 -25.621 1.00 0.00 H new ATOM 924 N GLU A 59 -16.133 -9.792 -24.234 1.00 0.00 N ATOM 925 CA GLU A 59 -15.571 -11.130 -24.085 1.00 0.00 C ATOM 926 C GLU A 59 -14.403 -11.340 -25.044 1.00 0.00 C ATOM 927 O GLU A 59 -13.408 -11.976 -24.697 1.00 0.00 O ATOM 928 CB GLU A 59 -16.647 -12.189 -24.335 1.00 0.00 C ATOM 929 CG GLU A 59 -16.487 -13.433 -23.477 1.00 0.00 C ATOM 930 CD GLU A 59 -17.808 -13.940 -22.932 1.00 0.00 C ATOM 931 OE1 GLU A 59 -18.807 -13.916 -23.680 1.00 0.00 O ATOM 932 OE2 GLU A 59 -17.841 -14.361 -21.756 1.00 0.00 O ATOM 0 H GLU A 59 -17.101 -9.774 -24.556 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.202 -11.230 -23.064 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -17.627 -11.751 -24.146 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -16.624 -12.477 -25.386 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -16.016 -14.219 -24.068 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.816 -13.213 -22.647 1.00 0.00 H new ATOM 939 N ASP A 60 -14.532 -10.801 -26.252 1.00 0.00 N ATOM 940 CA ASP A 60 -13.488 -10.928 -27.262 1.00 0.00 C ATOM 941 C ASP A 60 -12.238 -10.156 -26.851 1.00 0.00 C ATOM 942 O ASP A 60 -11.119 -10.654 -26.974 1.00 0.00 O ATOM 943 CB ASP A 60 -13.993 -10.424 -28.614 1.00 0.00 C ATOM 944 CG ASP A 60 -15.219 -11.177 -29.092 1.00 0.00 C ATOM 945 OD1 ASP A 60 -15.087 -12.371 -29.433 1.00 0.00 O ATOM 946 OD2 ASP A 60 -16.311 -10.572 -29.124 1.00 0.00 O ATOM 0 H ASP A 60 -15.350 -10.272 -26.555 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.229 -11.983 -27.351 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.229 -9.363 -28.538 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.199 -10.521 -29.354 1.00 0.00 H new ATOM 951 N LYS A 61 -12.436 -8.936 -26.364 1.00 0.00 N ATOM 952 CA LYS A 61 -11.326 -8.093 -25.935 1.00 0.00 C ATOM 953 C LYS A 61 -10.536 -8.764 -24.816 1.00 0.00 C ATOM 954 O LYS A 61 -9.310 -8.870 -24.885 1.00 0.00 O ATOM 955 CB LYS A 61 -11.845 -6.733 -25.463 1.00 0.00 C ATOM 956 CG LYS A 61 -12.378 -5.862 -26.587 1.00 0.00 C ATOM 957 CD LYS A 61 -12.812 -4.498 -26.078 1.00 0.00 C ATOM 958 CE LYS A 61 -11.671 -3.493 -26.134 1.00 0.00 C ATOM 959 NZ LYS A 61 -11.524 -2.896 -27.490 1.00 0.00 N ATOM 0 H LYS A 61 -13.356 -8.508 -26.256 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.662 -7.946 -26.787 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.636 -6.890 -24.730 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.040 -6.203 -24.954 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.609 -5.739 -27.349 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.223 -6.359 -27.064 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.648 -4.135 -26.676 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.169 -4.588 -25.052 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.848 -2.701 -25.406 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.740 -3.984 -25.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.657 -2.322 -27.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.465 -3.655 -28.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.347 -2.294 -27.695 1.00 0.00 H new ATOM 973 N LEU A 62 -11.243 -9.216 -23.786 1.00 0.00 N ATOM 974 CA LEU A 62 -10.607 -9.878 -22.653 1.00 0.00 C ATOM 975 C LEU A 62 -10.049 -11.238 -23.059 1.00 0.00 C ATOM 976 O LEU A 62 -9.102 -11.737 -22.453 1.00 0.00 O ATOM 977 CB LEU A 62 -11.608 -10.046 -21.508 1.00 0.00 C ATOM 978 CG LEU A 62 -12.829 -10.916 -21.807 1.00 0.00 C ATOM 979 CD1 LEU A 62 -12.489 -12.389 -21.642 1.00 0.00 C ATOM 980 CD2 LEU A 62 -13.992 -10.532 -20.903 1.00 0.00 C ATOM 0 H LEU A 62 -12.257 -9.136 -23.712 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.780 -9.253 -22.316 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.083 -10.472 -20.653 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.956 -9.057 -21.208 1.00 0.00 H new ATOM 0 HG LEU A 62 -13.127 -10.746 -22.842 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -13.370 -12.992 -21.859 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.687 -12.657 -22.330 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -12.165 -12.575 -20.618 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -14.852 -11.162 -21.130 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -13.705 -10.672 -19.861 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.253 -9.487 -21.070 1.00 0.00 H new ATOM 992 N GLU A 63 -10.641 -11.830 -24.092 1.00 0.00 N ATOM 993 CA GLU A 63 -10.202 -13.132 -24.580 1.00 0.00 C ATOM 994 C GLU A 63 -8.880 -13.013 -25.334 1.00 0.00 C ATOM 995 O GLU A 63 -8.054 -13.925 -25.310 1.00 0.00 O ATOM 996 CB GLU A 63 -11.267 -13.747 -25.490 1.00 0.00 C ATOM 997 CG GLU A 63 -12.268 -14.620 -24.753 1.00 0.00 C ATOM 998 CD GLU A 63 -12.103 -16.093 -25.071 1.00 0.00 C ATOM 999 OE1 GLU A 63 -11.916 -16.425 -26.261 1.00 0.00 O ATOM 1000 OE2 GLU A 63 -12.162 -16.914 -24.132 1.00 0.00 O ATOM 0 H GLU A 63 -11.425 -11.429 -24.606 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.052 -13.782 -23.718 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.803 -12.947 -26.000 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.775 -14.343 -26.259 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.155 -14.469 -23.679 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.279 -14.307 -25.014 1.00 0.00 H new ATOM 1007 N LYS A 64 -8.688 -11.881 -26.003 1.00 0.00 N ATOM 1008 CA LYS A 64 -7.468 -11.639 -26.764 1.00 0.00 C ATOM 1009 C LYS A 64 -6.397 -10.999 -25.886 1.00 0.00 C ATOM 1010 O LYS A 64 -5.267 -11.481 -25.818 1.00 0.00 O ATOM 1011 CB LYS A 64 -7.762 -10.740 -27.966 1.00 0.00 C ATOM 1012 CG LYS A 64 -8.473 -11.455 -29.102 1.00 0.00 C ATOM 1013 CD LYS A 64 -9.085 -10.471 -30.085 1.00 0.00 C ATOM 1014 CE LYS A 64 -9.810 -11.189 -31.213 1.00 0.00 C ATOM 1015 NZ LYS A 64 -8.869 -11.951 -32.080 1.00 0.00 N ATOM 0 H LYS A 64 -9.362 -11.116 -26.034 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.095 -12.599 -27.120 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.373 -9.899 -27.639 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.824 -10.327 -28.338 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.767 -12.101 -29.624 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.254 -12.098 -28.696 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.782 -9.817 -29.561 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.303 -9.835 -30.500 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.550 -11.870 -30.793 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.353 -10.462 -31.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.375 -12.299 -32.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.091 -11.329 -32.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.484 -12.758 -31.549 1.00 0.00 H new ATOM 1029 N TYR A 65 -6.761 -9.911 -25.216 1.00 0.00 N ATOM 1030 CA TYR A 65 -5.831 -9.205 -24.343 1.00 0.00 C ATOM 1031 C TYR A 65 -6.029 -9.617 -22.888 1.00 0.00 C ATOM 1032 O TYR A 65 -5.078 -9.982 -22.199 1.00 0.00 O ATOM 1033 CB TYR A 65 -6.014 -7.693 -24.485 1.00 0.00 C ATOM 1034 CG TYR A 65 -6.685 -7.283 -25.777 1.00 0.00 C ATOM 1035 CD1 TYR A 65 -6.107 -7.577 -27.006 1.00 0.00 C ATOM 1036 CD2 TYR A 65 -7.895 -6.601 -25.769 1.00 0.00 C ATOM 1037 CE1 TYR A 65 -6.715 -7.205 -28.189 1.00 0.00 C ATOM 1038 CE2 TYR A 65 -8.511 -6.225 -26.947 1.00 0.00 C ATOM 1039 CZ TYR A 65 -7.918 -6.529 -28.154 1.00 0.00 C ATOM 1040 OH TYR A 65 -8.528 -6.155 -29.330 1.00 0.00 O ATOM 0 H TYR A 65 -7.693 -9.499 -25.261 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.818 -9.472 -24.643 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.606 -7.327 -23.646 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.039 -7.210 -24.423 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.166 -8.106 -27.037 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.362 -6.360 -24.826 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.252 -7.442 -29.136 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.452 -5.696 -26.923 1.00 0.00 H new ATOM 0 HH TYR A 65 -9.367 -5.689 -29.130 1.00 0.00 H new ATOM 1050 N GLY A 66 -7.275 -9.557 -22.426 1.00 0.00 N ATOM 1051 CA GLY A 66 -7.578 -9.928 -21.056 1.00 0.00 C ATOM 1052 C GLY A 66 -6.835 -11.174 -20.615 1.00 0.00 C ATOM 1053 O GLY A 66 -6.454 -11.298 -19.452 1.00 0.00 O ATOM 0 H GLY A 66 -8.080 -9.258 -22.977 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.321 -9.102 -20.394 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.651 -10.094 -20.956 1.00 0.00 H new ATOM 1057 N ALA A 67 -6.631 -12.099 -21.546 1.00 0.00 N ATOM 1058 CA ALA A 67 -5.930 -13.342 -21.247 1.00 0.00 C ATOM 1059 C ALA A 67 -4.621 -13.070 -20.513 1.00 0.00 C ATOM 1060 O ALA A 67 -4.394 -13.587 -19.420 1.00 0.00 O ATOM 1061 CB ALA A 67 -5.667 -14.121 -22.528 1.00 0.00 C ATOM 0 H ALA A 67 -6.941 -12.012 -22.514 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.565 -13.941 -20.594 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.143 -15.047 -22.290 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.615 -14.355 -23.013 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.054 -13.520 -23.200 1.00 0.00 H new ATOM 1067 N GLU A 68 -3.763 -12.257 -21.123 1.00 0.00 N ATOM 1068 CA GLU A 68 -2.476 -11.919 -20.526 1.00 0.00 C ATOM 1069 C GLU A 68 -2.666 -11.214 -19.186 1.00 0.00 C ATOM 1070 O GLU A 68 -1.898 -11.424 -18.247 1.00 0.00 O ATOM 1071 CB GLU A 68 -1.668 -11.030 -21.473 1.00 0.00 C ATOM 1072 CG GLU A 68 -1.571 -11.577 -22.887 1.00 0.00 C ATOM 1073 CD GLU A 68 -1.130 -13.027 -22.923 1.00 0.00 C ATOM 1074 OE1 GLU A 68 -0.294 -13.414 -22.080 1.00 0.00 O ATOM 1075 OE2 GLU A 68 -1.620 -13.774 -23.796 1.00 0.00 O ATOM 0 H GLU A 68 -3.936 -11.821 -22.029 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.929 -12.846 -20.354 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.124 -10.040 -21.506 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.663 -10.905 -21.071 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.541 -11.484 -23.376 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.867 -10.973 -23.459 1.00 0.00 H new ATOM 1082 N VAL A 69 -3.695 -10.376 -19.106 1.00 0.00 N ATOM 1083 CA VAL A 69 -3.987 -9.639 -17.882 1.00 0.00 C ATOM 1084 C VAL A 69 -4.300 -10.589 -16.731 1.00 0.00 C ATOM 1085 O VAL A 69 -3.823 -10.401 -15.611 1.00 0.00 O ATOM 1086 CB VAL A 69 -5.173 -8.677 -18.076 1.00 0.00 C ATOM 1087 CG1 VAL A 69 -5.291 -7.728 -16.892 1.00 0.00 C ATOM 1088 CG2 VAL A 69 -5.024 -7.903 -19.377 1.00 0.00 C ATOM 0 H VAL A 69 -4.340 -10.191 -19.874 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.096 -9.060 -17.640 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.089 -9.265 -18.132 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.135 -7.056 -17.047 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.448 -8.303 -15.979 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.375 -7.145 -16.800 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.871 -7.228 -19.498 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.100 -7.325 -19.353 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.994 -8.601 -20.214 1.00 0.00 H new ATOM 1098 N ILE A 70 -5.104 -11.608 -17.014 1.00 0.00 N ATOM 1099 CA ILE A 70 -5.480 -12.588 -16.002 1.00 0.00 C ATOM 1100 C ILE A 70 -4.293 -13.465 -15.619 1.00 0.00 C ATOM 1101 O ILE A 70 -4.122 -13.822 -14.453 1.00 0.00 O ATOM 1102 CB ILE A 70 -6.632 -13.486 -16.489 1.00 0.00 C ATOM 1103 CG1 ILE A 70 -7.870 -12.643 -16.797 1.00 0.00 C ATOM 1104 CG2 ILE A 70 -6.953 -14.547 -15.447 1.00 0.00 C ATOM 1105 CD1 ILE A 70 -9.072 -13.463 -17.211 1.00 0.00 C ATOM 0 H ILE A 70 -5.508 -11.777 -17.935 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.812 -12.028 -15.128 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.320 -13.987 -17.405 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.127 -12.055 -15.916 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -7.630 -11.937 -17.592 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.769 -15.174 -15.806 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.071 -15.164 -15.272 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.249 -14.064 -14.515 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.913 -12.800 -17.414 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.833 -14.031 -18.110 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.338 -14.150 -16.408 1.00 0.00 H new ATOM 1117 N SER A 71 -3.473 -13.808 -16.608 1.00 0.00 N ATOM 1118 CA SER A 71 -2.303 -14.645 -16.375 1.00 0.00 C ATOM 1119 C SER A 71 -1.354 -13.987 -15.378 1.00 0.00 C ATOM 1120 O SER A 71 -0.914 -14.615 -14.415 1.00 0.00 O ATOM 1121 CB SER A 71 -1.571 -14.913 -17.692 1.00 0.00 C ATOM 1122 OG SER A 71 -0.260 -15.396 -17.458 1.00 0.00 O ATOM 0 H SER A 71 -3.598 -13.519 -17.578 1.00 0.00 H new ATOM 0 HA SER A 71 -2.642 -15.592 -15.956 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.130 -15.640 -18.281 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.525 -13.996 -18.279 1.00 0.00 H new ATOM 0 HG SER A 71 0.186 -15.561 -18.315 1.00 0.00 H new ATOM 1128 N VAL A 72 -1.041 -12.717 -15.617 1.00 0.00 N ATOM 1129 CA VAL A 72 -0.146 -11.972 -14.741 1.00 0.00 C ATOM 1130 C VAL A 72 -0.787 -11.726 -13.380 1.00 0.00 C ATOM 1131 O VAL A 72 -0.125 -11.806 -12.345 1.00 0.00 O ATOM 1132 CB VAL A 72 0.250 -10.619 -15.362 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -0.987 -9.786 -15.660 1.00 0.00 C ATOM 1134 CG2 VAL A 72 1.200 -9.868 -14.440 1.00 0.00 C ATOM 0 H VAL A 72 -1.395 -12.183 -16.411 1.00 0.00 H new ATOM 0 HA VAL A 72 0.749 -12.580 -14.613 1.00 0.00 H new ATOM 0 HB VAL A 72 0.767 -10.808 -16.303 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.688 -8.834 -16.098 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.627 -10.323 -16.360 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.534 -9.604 -14.735 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.470 -8.914 -14.894 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.712 -9.689 -13.482 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.100 -10.462 -14.283 1.00 0.00 H new ATOM 1144 N LEU A 73 -2.081 -11.426 -13.388 1.00 0.00 N ATOM 1145 CA LEU A 73 -2.815 -11.168 -12.154 1.00 0.00 C ATOM 1146 C LEU A 73 -2.876 -12.420 -11.285 1.00 0.00 C ATOM 1147 O LEU A 73 -2.938 -12.333 -10.059 1.00 0.00 O ATOM 1148 CB LEU A 73 -4.231 -10.683 -12.470 1.00 0.00 C ATOM 1149 CG LEU A 73 -4.348 -9.255 -13.002 1.00 0.00 C ATOM 1150 CD1 LEU A 73 -5.682 -9.054 -13.704 1.00 0.00 C ATOM 1151 CD2 LEU A 73 -4.182 -8.249 -11.872 1.00 0.00 C ATOM 0 H LEU A 73 -2.644 -11.355 -14.236 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.287 -10.390 -11.602 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.670 -11.360 -13.203 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.831 -10.762 -11.564 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.551 -9.092 -13.727 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.747 -8.031 -14.076 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.762 -9.750 -14.539 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.494 -9.237 -13.001 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.268 -7.238 -12.270 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.957 -8.412 -11.123 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.202 -8.376 -11.413 1.00 0.00 H new ATOM 1163 N GLN A 74 -2.856 -13.582 -11.929 1.00 0.00 N ATOM 1164 CA GLN A 74 -2.907 -14.852 -11.214 1.00 0.00 C ATOM 1165 C GLN A 74 -1.515 -15.279 -10.762 1.00 0.00 C ATOM 1166 O GLN A 74 -1.353 -15.889 -9.704 1.00 0.00 O ATOM 1167 CB GLN A 74 -3.523 -15.936 -12.101 1.00 0.00 C ATOM 1168 CG GLN A 74 -4.965 -16.264 -11.749 1.00 0.00 C ATOM 1169 CD GLN A 74 -5.142 -16.622 -10.287 1.00 0.00 C ATOM 1170 OE1 GLN A 74 -4.191 -17.023 -9.615 1.00 0.00 O ATOM 1171 NE2 GLN A 74 -6.363 -16.480 -9.785 1.00 0.00 N ATOM 0 H GLN A 74 -2.805 -13.671 -12.944 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.530 -14.718 -10.330 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.476 -15.613 -13.141 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.923 -16.843 -12.022 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.597 -15.409 -11.989 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.306 -17.095 -12.366 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.122 -16.144 -10.378 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.542 -16.706 -8.807 1.00 0.00 H new ATOM 1180 N LYS A 75 -0.510 -14.955 -11.569 1.00 0.00 N ATOM 1181 CA LYS A 75 0.870 -15.304 -11.253 1.00 0.00 C ATOM 1182 C LYS A 75 1.351 -14.552 -10.016 1.00 0.00 C ATOM 1183 O LYS A 75 1.808 -15.160 -9.047 1.00 0.00 O ATOM 1184 CB LYS A 75 1.782 -14.990 -12.441 1.00 0.00 C ATOM 1185 CG LYS A 75 1.749 -16.048 -13.529 1.00 0.00 C ATOM 1186 CD LYS A 75 3.132 -16.296 -14.108 1.00 0.00 C ATOM 1187 CE LYS A 75 3.270 -15.693 -15.498 1.00 0.00 C ATOM 1188 NZ LYS A 75 3.657 -14.256 -15.444 1.00 0.00 N ATOM 0 H LYS A 75 -0.626 -14.451 -12.448 1.00 0.00 H new ATOM 0 HA LYS A 75 0.910 -16.373 -11.045 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.490 -14.031 -12.869 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.806 -14.880 -12.083 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.352 -16.978 -13.122 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.072 -15.733 -14.323 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.886 -15.868 -13.448 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.321 -17.368 -14.155 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.018 -16.249 -16.062 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.326 -15.795 -16.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.741 -13.882 -16.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.931 -13.720 -14.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.570 -14.161 -14.956 1.00 0.00 H new ATOM 1202 N TYR A 76 1.243 -13.229 -10.055 1.00 0.00 N ATOM 1203 CA TYR A 76 1.668 -12.394 -8.937 1.00 0.00 C ATOM 1204 C TYR A 76 0.785 -12.629 -7.715 1.00 0.00 C ATOM 1205 O TYR A 76 1.217 -12.440 -6.578 1.00 0.00 O ATOM 1206 CB TYR A 76 1.629 -10.917 -9.332 1.00 0.00 C ATOM 1207 CG TYR A 76 0.383 -10.199 -8.867 1.00 0.00 C ATOM 1208 CD1 TYR A 76 -0.845 -10.431 -9.473 1.00 0.00 C ATOM 1209 CD2 TYR A 76 0.434 -9.287 -7.819 1.00 0.00 C ATOM 1210 CE1 TYR A 76 -1.985 -9.776 -9.051 1.00 0.00 C ATOM 1211 CE2 TYR A 76 -0.702 -8.629 -7.389 1.00 0.00 C ATOM 1212 CZ TYR A 76 -1.909 -8.876 -8.009 1.00 0.00 C ATOM 1213 OH TYR A 76 -3.043 -8.223 -7.585 1.00 0.00 O ATOM 0 H TYR A 76 0.865 -12.711 -10.848 1.00 0.00 H new ATOM 0 HA TYR A 76 2.692 -12.668 -8.681 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.503 -10.415 -8.917 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.701 -10.838 -10.417 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.909 -11.136 -10.289 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.378 -9.090 -7.333 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.931 -9.968 -9.535 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.645 -7.925 -6.572 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.818 -7.625 -6.842 1.00 0.00 H new ATOM 1223 N SER A 77 -0.454 -13.043 -7.960 1.00 0.00 N ATOM 1224 CA SER A 77 -1.401 -13.301 -6.881 1.00 0.00 C ATOM 1225 C SER A 77 -0.912 -14.439 -5.990 1.00 0.00 C ATOM 1226 O SER A 77 -1.242 -14.499 -4.806 1.00 0.00 O ATOM 1227 CB SER A 77 -2.778 -13.642 -7.453 1.00 0.00 C ATOM 1228 OG SER A 77 -3.630 -12.509 -7.441 1.00 0.00 O ATOM 0 H SER A 77 -0.826 -13.207 -8.896 1.00 0.00 H new ATOM 0 HA SER A 77 -1.480 -12.397 -6.277 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.671 -14.009 -8.474 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.228 -14.446 -6.871 1.00 0.00 H new ATOM 0 HG SER A 77 -3.675 -12.124 -8.341 1.00 0.00 H new