USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 725 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 25 GLN : amide:sc= 0.126 K(o=0.64,f=-3.6!) USER MOD Set 1.2: A 85 TYR OH : rot 168:sc= 0.518 USER MOD Single : A 5 LYS NZ :NH3+ 175:sc= -0.0313 (180deg=-0.0428) USER MOD Single : A 7 ASN : amide:sc= -3.08! C(o=-3.1!,f=-4.2!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 84:sc= 1.28 USER MOD Single : A 16 LYS NZ :NH3+ -137:sc= -0.045 (180deg=-0.266) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.309 X(o=0.31,f=0) USER MOD Single : A 24 GLN :FLIP amide:sc= -0.225 F(o=-0.76,f=-0.23) USER MOD Single : A 28 ASN : amide:sc= -0.752 K(o=-0.75,f=-9.3!) USER MOD Single : A 33 SER OG : rot 180:sc= -0.0952 USER MOD Single : A 37 MET CE :methyl 148:sc= -0.255 (180deg=-1.13) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -140:sc= -3.22! (180deg=-4.11!) USER MOD Single : A 46 ASN : amide:sc=-7.1e-05 X(o=-7.1e-05,f=0.086) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0359 X(o=-0.036,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 165:sc= -0.0255 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.075) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0.0085) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0648 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0271) USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 -10.132 -12.384 -9.825 1.00 0.00 N ATOM 31 CA LEU A 3 -9.981 -12.104 -8.403 1.00 0.00 C ATOM 32 C LEU A 3 -11.005 -12.884 -7.583 1.00 0.00 C ATOM 33 O LEU A 3 -12.186 -12.542 -7.560 1.00 0.00 O ATOM 34 CB LEU A 3 -10.134 -10.606 -8.137 1.00 0.00 C ATOM 35 CG LEU A 3 -8.847 -9.790 -8.273 1.00 0.00 C ATOM 36 CD1 LEU A 3 -9.164 -8.351 -8.650 1.00 0.00 C ATOM 37 CD2 LEU A 3 -8.046 -9.840 -6.981 1.00 0.00 C ATOM 0 HA LEU A 3 -8.982 -12.420 -8.101 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -10.876 -10.204 -8.827 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.528 -10.470 -7.130 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.244 -10.228 -9.069 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.236 -7.786 -8.742 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -9.696 -8.333 -9.601 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.787 -7.901 -7.877 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.134 -9.254 -7.096 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.642 -9.428 -6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.787 -10.874 -6.753 1.00 0.00 H new ATOM 49 N LEU A 4 -10.542 -13.934 -6.912 1.00 0.00 N ATOM 50 CA LEU A 4 -11.417 -14.763 -6.091 1.00 0.00 C ATOM 51 C LEU A 4 -11.929 -13.983 -4.884 1.00 0.00 C ATOM 52 O LEU A 4 -11.536 -12.838 -4.660 1.00 0.00 O ATOM 53 CB LEU A 4 -10.677 -16.018 -5.626 1.00 0.00 C ATOM 54 CG LEU A 4 -10.729 -17.197 -6.598 1.00 0.00 C ATOM 55 CD1 LEU A 4 -9.598 -17.103 -7.611 1.00 0.00 C ATOM 56 CD2 LEU A 4 -10.661 -18.515 -5.841 1.00 0.00 C ATOM 0 H LEU A 4 -9.566 -14.231 -6.921 1.00 0.00 H new ATOM 0 HA LEU A 4 -12.272 -15.059 -6.699 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.633 -15.760 -5.447 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -11.096 -16.335 -4.671 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.676 -17.159 -7.136 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.651 -17.950 -8.295 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.691 -16.175 -8.175 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.641 -17.116 -7.090 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.699 -19.343 -6.548 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.730 -18.563 -5.276 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.505 -18.585 -5.155 1.00 0.00 H new ATOM 68 N LYS A 5 -12.806 -14.611 -4.109 1.00 0.00 N ATOM 69 CA LYS A 5 -13.371 -13.977 -2.924 1.00 0.00 C ATOM 70 C LYS A 5 -12.321 -13.837 -1.827 1.00 0.00 C ATOM 71 O LYS A 5 -12.170 -12.771 -1.230 1.00 0.00 O ATOM 72 CB LYS A 5 -14.561 -14.786 -2.406 1.00 0.00 C ATOM 73 CG LYS A 5 -15.383 -14.055 -1.357 1.00 0.00 C ATOM 74 CD LYS A 5 -16.838 -14.497 -1.381 1.00 0.00 C ATOM 75 CE LYS A 5 -17.705 -13.519 -2.159 1.00 0.00 C ATOM 76 NZ LYS A 5 -17.307 -13.442 -3.591 1.00 0.00 N ATOM 0 H LYS A 5 -13.141 -15.559 -4.280 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.712 -12.980 -3.204 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.206 -15.045 -3.245 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.197 -15.722 -1.983 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.962 -14.240 -0.369 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -15.325 -12.981 -1.532 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.911 -15.487 -1.831 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.210 -14.582 -0.360 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.749 -13.824 -2.088 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -17.631 -12.530 -1.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.974 -12.831 -4.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.348 -13.046 -3.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -17.321 -14.395 -4.007 1.00 0.00 H new ATOM 90 N ALA A 6 -11.596 -14.921 -1.567 1.00 0.00 N ATOM 91 CA ALA A 6 -10.559 -14.919 -0.543 1.00 0.00 C ATOM 92 C ALA A 6 -9.346 -14.110 -0.990 1.00 0.00 C ATOM 93 O ALA A 6 -8.778 -13.343 -0.213 1.00 0.00 O ATOM 94 CB ALA A 6 -10.151 -16.344 -0.204 1.00 0.00 C ATOM 0 H ALA A 6 -11.708 -15.811 -2.052 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.966 -14.447 0.351 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.376 -16.328 0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.017 -16.892 0.167 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.767 -16.835 -1.098 1.00 0.00 H new ATOM 100 N ASN A 7 -8.953 -14.289 -2.247 1.00 0.00 N ATOM 101 CA ASN A 7 -7.807 -13.576 -2.798 1.00 0.00 C ATOM 102 C ASN A 7 -8.025 -12.067 -2.743 1.00 0.00 C ATOM 103 O ASN A 7 -7.155 -11.320 -2.296 1.00 0.00 O ATOM 104 CB ASN A 7 -7.554 -14.014 -4.242 1.00 0.00 C ATOM 105 CG ASN A 7 -6.597 -15.187 -4.330 1.00 0.00 C ATOM 106 OD1 ASN A 7 -5.724 -15.227 -5.198 1.00 0.00 O ATOM 107 ND2 ASN A 7 -6.756 -16.150 -3.430 1.00 0.00 N ATOM 0 H ASN A 7 -9.411 -14.922 -2.903 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.934 -13.820 -2.192 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -8.501 -14.285 -4.708 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.149 -13.175 -4.808 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.141 -16.964 -3.440 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.493 -16.076 -2.728 1.00 0.00 H new ATOM 114 N LYS A 8 -9.192 -11.625 -3.201 1.00 0.00 N ATOM 115 CA LYS A 8 -9.524 -10.205 -3.205 1.00 0.00 C ATOM 116 C LYS A 8 -9.767 -9.700 -1.786 1.00 0.00 C ATOM 117 O LYS A 8 -9.498 -8.540 -1.476 1.00 0.00 O ATOM 118 CB LYS A 8 -10.762 -9.952 -4.068 1.00 0.00 C ATOM 119 CG LYS A 8 -11.105 -8.479 -4.219 1.00 0.00 C ATOM 120 CD LYS A 8 -12.604 -8.269 -4.357 1.00 0.00 C ATOM 121 CE LYS A 8 -12.922 -7.167 -5.355 1.00 0.00 C ATOM 122 NZ LYS A 8 -14.177 -7.443 -6.107 1.00 0.00 N ATOM 0 H LYS A 8 -9.924 -12.230 -3.574 1.00 0.00 H new ATOM 0 HA LYS A 8 -8.679 -9.660 -3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.600 -10.382 -5.056 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.614 -10.472 -3.629 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -10.737 -7.928 -3.354 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.597 -8.074 -5.094 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.075 -9.198 -4.677 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.028 -8.015 -3.385 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.016 -6.217 -4.829 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.094 -7.063 -6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -14.358 -6.668 -6.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.079 -8.337 -6.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.972 -7.517 -5.440 1.00 0.00 H new ATOM 136 N ASP A 9 -10.277 -10.578 -0.930 1.00 0.00 N ATOM 137 CA ASP A 9 -10.557 -10.220 0.456 1.00 0.00 C ATOM 138 C ASP A 9 -9.269 -9.894 1.205 1.00 0.00 C ATOM 139 O ASP A 9 -9.264 -9.076 2.124 1.00 0.00 O ATOM 140 CB ASP A 9 -11.295 -11.361 1.160 1.00 0.00 C ATOM 141 CG ASP A 9 -12.800 -11.245 1.025 1.00 0.00 C ATOM 142 OD1 ASP A 9 -13.315 -10.108 1.059 1.00 0.00 O ATOM 143 OD2 ASP A 9 -13.465 -12.294 0.883 1.00 0.00 O ATOM 0 H ASP A 9 -10.505 -11.543 -1.171 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.190 -9.333 0.455 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -10.968 -12.314 0.743 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -11.027 -11.366 2.217 1.00 0.00 H new ATOM 148 N LEU A 10 -8.178 -10.540 0.806 1.00 0.00 N ATOM 149 CA LEU A 10 -6.885 -10.320 1.437 1.00 0.00 C ATOM 150 C LEU A 10 -6.345 -8.933 1.103 1.00 0.00 C ATOM 151 O LEU A 10 -5.892 -8.203 1.985 1.00 0.00 O ATOM 152 CB LEU A 10 -5.893 -11.395 0.987 1.00 0.00 C ATOM 153 CG LEU A 10 -5.492 -12.399 2.069 1.00 0.00 C ATOM 154 CD1 LEU A 10 -4.464 -13.382 1.530 1.00 0.00 C ATOM 155 CD2 LEU A 10 -4.950 -11.675 3.292 1.00 0.00 C ATOM 0 H LEU A 10 -8.166 -11.221 0.047 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.015 -10.384 2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.327 -11.941 0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.993 -10.905 0.616 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.379 -12.959 2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.191 -14.089 2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.887 -13.924 0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.576 -12.839 1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.670 -12.404 4.052 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.075 -11.090 3.010 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.717 -11.011 3.692 1.00 0.00 H new ATOM 167 N ILE A 11 -6.398 -8.576 -0.176 1.00 0.00 N ATOM 168 CA ILE A 11 -5.915 -7.277 -0.627 1.00 0.00 C ATOM 169 C ILE A 11 -6.838 -6.156 -0.160 1.00 0.00 C ATOM 170 O ILE A 11 -6.385 -5.053 0.148 1.00 0.00 O ATOM 171 CB ILE A 11 -5.795 -7.222 -2.162 1.00 0.00 C ATOM 172 CG1 ILE A 11 -5.013 -8.431 -2.679 1.00 0.00 C ATOM 173 CG2 ILE A 11 -5.125 -5.927 -2.596 1.00 0.00 C ATOM 174 CD1 ILE A 11 -4.854 -8.451 -4.184 1.00 0.00 C ATOM 0 H ILE A 11 -6.771 -9.168 -0.918 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.927 -7.138 -0.189 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.797 -7.251 -2.590 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.026 -8.439 -2.218 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.520 -9.343 -2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.048 -5.904 -3.683 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.719 -5.078 -2.256 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.128 -5.870 -2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.290 -9.336 -4.479 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.837 -8.475 -4.653 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.320 -7.557 -4.505 1.00 0.00 H new ATOM 186 N SER A 12 -8.135 -6.443 -0.112 1.00 0.00 N ATOM 187 CA SER A 12 -9.122 -5.459 0.317 1.00 0.00 C ATOM 188 C SER A 12 -8.798 -4.934 1.713 1.00 0.00 C ATOM 189 O SER A 12 -8.933 -3.741 1.985 1.00 0.00 O ATOM 190 CB SER A 12 -10.524 -6.070 0.303 1.00 0.00 C ATOM 191 OG SER A 12 -10.911 -6.425 -1.014 1.00 0.00 O ATOM 0 H SER A 12 -8.527 -7.350 -0.365 1.00 0.00 H new ATOM 0 HA SER A 12 -9.090 -4.624 -0.382 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.546 -6.952 0.943 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.239 -5.358 0.716 1.00 0.00 H new ATOM 0 HG SER A 12 -10.550 -7.309 -1.234 1.00 0.00 H new ATOM 197 N ALA A 13 -8.367 -5.833 2.592 1.00 0.00 N ATOM 198 CA ALA A 13 -8.020 -5.458 3.957 1.00 0.00 C ATOM 199 C ALA A 13 -6.893 -4.432 3.970 1.00 0.00 C ATOM 200 O ALA A 13 -6.986 -3.400 4.635 1.00 0.00 O ATOM 201 CB ALA A 13 -7.626 -6.690 4.760 1.00 0.00 C ATOM 0 H ALA A 13 -8.250 -6.825 2.383 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.897 -5.004 4.419 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.369 -6.394 5.777 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.461 -7.390 4.785 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.765 -7.169 4.293 1.00 0.00 H new ATOM 207 N GLY A 14 -5.830 -4.723 3.229 1.00 0.00 N ATOM 208 CA GLY A 14 -4.700 -3.815 3.166 1.00 0.00 C ATOM 209 C GLY A 14 -5.035 -2.523 2.444 1.00 0.00 C ATOM 210 O GLY A 14 -4.524 -1.460 2.793 1.00 0.00 O ATOM 0 H GLY A 14 -5.730 -5.571 2.671 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.365 -3.586 4.178 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.870 -4.307 2.659 1.00 0.00 H new ATOM 214 N LEU A 15 -5.895 -2.619 1.434 1.00 0.00 N ATOM 215 CA LEU A 15 -6.296 -1.451 0.659 1.00 0.00 C ATOM 216 C LEU A 15 -6.999 -0.423 1.542 1.00 0.00 C ATOM 217 O LEU A 15 -6.665 0.762 1.517 1.00 0.00 O ATOM 218 CB LEU A 15 -7.216 -1.871 -0.492 1.00 0.00 C ATOM 219 CG LEU A 15 -6.737 -1.461 -1.885 1.00 0.00 C ATOM 220 CD1 LEU A 15 -7.734 -1.903 -2.944 1.00 0.00 C ATOM 221 CD2 LEU A 15 -6.518 0.044 -1.951 1.00 0.00 C ATOM 0 H LEU A 15 -6.327 -3.493 1.134 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.397 -0.991 0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.331 -2.955 -0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.204 -1.442 -0.323 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.786 -1.956 -2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.376 -1.602 -3.929 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.842 -2.987 -2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.700 -1.437 -2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.177 0.319 -2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.454 0.558 -1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.765 0.335 -1.218 1.00 0.00 H new ATOM 233 N LYS A 16 -7.975 -0.882 2.317 1.00 0.00 N ATOM 234 CA LYS A 16 -8.725 0.000 3.205 1.00 0.00 C ATOM 235 C LYS A 16 -7.832 0.546 4.315 1.00 0.00 C ATOM 236 O LYS A 16 -7.834 1.745 4.593 1.00 0.00 O ATOM 237 CB LYS A 16 -9.918 -0.743 3.811 1.00 0.00 C ATOM 238 CG LYS A 16 -9.530 -1.989 4.589 1.00 0.00 C ATOM 239 CD LYS A 16 -10.755 -2.728 5.103 1.00 0.00 C ATOM 240 CE LYS A 16 -11.032 -2.400 6.561 1.00 0.00 C ATOM 241 NZ LYS A 16 -9.999 -2.975 7.465 1.00 0.00 N ATOM 0 H LYS A 16 -8.266 -1.859 2.349 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.092 0.840 2.615 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.459 -0.066 4.472 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.604 -1.023 3.012 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.946 -2.651 3.950 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.892 -1.711 5.428 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.622 -2.462 4.498 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.606 -3.802 4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.065 -1.318 6.690 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.013 -2.785 6.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.460 -3.391 8.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.467 -3.712 6.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.346 -2.224 7.768 1.00 0.00 H new ATOM 255 N GLU A 17 -7.070 -0.341 4.947 1.00 0.00 N ATOM 256 CA GLU A 17 -6.173 0.054 6.028 1.00 0.00 C ATOM 257 C GLU A 17 -5.149 1.074 5.542 1.00 0.00 C ATOM 258 O GLU A 17 -4.699 1.928 6.305 1.00 0.00 O ATOM 259 CB GLU A 17 -5.458 -1.172 6.599 1.00 0.00 C ATOM 260 CG GLU A 17 -6.217 -1.846 7.731 1.00 0.00 C ATOM 261 CD GLU A 17 -5.702 -1.444 9.099 1.00 0.00 C ATOM 262 OE1 GLU A 17 -4.470 -1.315 9.254 1.00 0.00 O ATOM 263 OE2 GLU A 17 -6.531 -1.258 10.014 1.00 0.00 O ATOM 0 H GLU A 17 -7.055 -1.337 4.730 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.772 0.515 6.813 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.298 -1.895 5.799 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.474 -0.873 6.960 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.274 -1.592 7.656 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.140 -2.928 7.621 1.00 0.00 H new ATOM 270 N PHE A 18 -4.784 0.982 4.265 1.00 0.00 N ATOM 271 CA PHE A 18 -3.813 1.902 3.684 1.00 0.00 C ATOM 272 C PHE A 18 -4.297 3.343 3.811 1.00 0.00 C ATOM 273 O PHE A 18 -3.571 4.212 4.294 1.00 0.00 O ATOM 274 CB PHE A 18 -3.567 1.560 2.213 1.00 0.00 C ATOM 275 CG PHE A 18 -2.188 1.919 1.737 1.00 0.00 C ATOM 276 CD1 PHE A 18 -1.112 1.089 2.006 1.00 0.00 C ATOM 277 CD2 PHE A 18 -1.970 3.084 1.021 1.00 0.00 C ATOM 278 CE1 PHE A 18 0.158 1.416 1.570 1.00 0.00 C ATOM 279 CE2 PHE A 18 -0.701 3.417 0.583 1.00 0.00 C ATOM 280 CZ PHE A 18 0.364 2.581 0.858 1.00 0.00 C ATOM 0 H PHE A 18 -5.145 0.282 3.616 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.876 1.799 4.231 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.727 0.492 2.065 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.302 2.081 1.599 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.267 0.177 2.562 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.800 3.740 0.802 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.989 0.761 1.786 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.543 4.329 0.027 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.356 2.838 0.517 1.00 0.00 H new ATOM 290 N SER A 19 -5.531 3.586 3.382 1.00 0.00 N ATOM 291 CA SER A 19 -6.117 4.918 3.460 1.00 0.00 C ATOM 292 C SER A 19 -6.390 5.295 4.912 1.00 0.00 C ATOM 293 O SER A 19 -6.300 6.462 5.292 1.00 0.00 O ATOM 294 CB SER A 19 -7.414 4.978 2.651 1.00 0.00 C ATOM 295 OG SER A 19 -7.561 6.236 2.015 1.00 0.00 O ATOM 0 H SER A 19 -6.144 2.878 2.977 1.00 0.00 H new ATOM 0 HA SER A 19 -5.407 5.631 3.040 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.416 4.186 1.902 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.265 4.798 3.308 1.00 0.00 H new ATOM 0 HG SER A 19 -8.397 6.248 1.503 1.00 0.00 H new ATOM 301 N VAL A 20 -6.718 4.290 5.718 1.00 0.00 N ATOM 302 CA VAL A 20 -7.002 4.498 7.132 1.00 0.00 C ATOM 303 C VAL A 20 -5.775 5.041 7.859 1.00 0.00 C ATOM 304 O VAL A 20 -5.889 5.906 8.727 1.00 0.00 O ATOM 305 CB VAL A 20 -7.454 3.184 7.803 1.00 0.00 C ATOM 306 CG1 VAL A 20 -7.788 3.408 9.271 1.00 0.00 C ATOM 307 CG2 VAL A 20 -8.645 2.591 7.064 1.00 0.00 C ATOM 0 H VAL A 20 -6.794 3.320 5.413 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.809 5.228 7.200 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.628 2.475 7.752 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.104 2.466 9.720 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.906 3.781 9.792 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.594 4.137 9.354 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.951 1.665 7.551 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.473 3.300 7.080 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.366 2.383 6.031 1.00 0.00 H new ATOM 317 N LEU A 21 -4.603 4.529 7.497 1.00 0.00 N ATOM 318 CA LEU A 21 -3.355 4.963 8.113 1.00 0.00 C ATOM 319 C LEU A 21 -3.008 6.388 7.693 1.00 0.00 C ATOM 320 O LEU A 21 -2.473 7.166 8.483 1.00 0.00 O ATOM 321 CB LEU A 21 -2.217 4.015 7.731 1.00 0.00 C ATOM 322 CG LEU A 21 -0.843 4.395 8.287 1.00 0.00 C ATOM 323 CD1 LEU A 21 -0.619 3.743 9.643 1.00 0.00 C ATOM 324 CD2 LEU A 21 0.255 3.996 7.313 1.00 0.00 C ATOM 0 H LEU A 21 -4.492 3.813 6.780 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.487 4.944 9.195 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.468 3.013 8.078 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.152 3.969 6.644 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.810 5.477 8.416 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.363 4.024 10.024 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.388 4.078 10.339 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.671 2.659 9.539 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.225 4.274 7.725 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.224 2.918 7.152 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.103 4.509 6.364 1.00 0.00 H new ATOM 336 N LEU A 22 -3.318 6.723 6.445 1.00 0.00 N ATOM 337 CA LEU A 22 -3.039 8.054 5.918 1.00 0.00 C ATOM 338 C LEU A 22 -3.890 9.109 6.621 1.00 0.00 C ATOM 339 O LEU A 22 -3.490 10.267 6.734 1.00 0.00 O ATOM 340 CB LEU A 22 -3.300 8.094 4.412 1.00 0.00 C ATOM 341 CG LEU A 22 -2.383 7.203 3.572 1.00 0.00 C ATOM 342 CD1 LEU A 22 -2.738 7.311 2.098 1.00 0.00 C ATOM 343 CD2 LEU A 22 -0.925 7.575 3.800 1.00 0.00 C ATOM 0 H LEU A 22 -3.763 6.091 5.779 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.989 8.277 6.105 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.334 7.800 4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.196 9.123 4.068 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.527 6.169 3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.075 6.670 1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.771 6.996 1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.623 8.344 1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.286 6.931 3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.766 8.615 3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.677 7.445 4.853 1.00 0.00 H new ATOM 355 N ASN A 23 -5.064 8.700 7.092 1.00 0.00 N ATOM 356 CA ASN A 23 -5.970 9.610 7.782 1.00 0.00 C ATOM 357 C ASN A 23 -5.303 10.214 9.014 1.00 0.00 C ATOM 358 O ASN A 23 -5.616 11.336 9.414 1.00 0.00 O ATOM 359 CB ASN A 23 -7.250 8.878 8.189 1.00 0.00 C ATOM 360 CG ASN A 23 -8.477 9.761 8.091 1.00 0.00 C ATOM 361 OD1 ASN A 23 -9.456 9.414 7.430 1.00 0.00 O ATOM 362 ND2 ASN A 23 -8.433 10.913 8.749 1.00 0.00 N ATOM 0 H ASN A 23 -5.410 7.744 7.008 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.224 10.418 7.096 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.383 8.004 7.552 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.148 8.515 9.212 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.230 11.549 8.718 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.602 11.163 9.285 1.00 0.00 H new ATOM 369 N GLN A 24 -4.382 9.464 9.611 1.00 0.00 N ATOM 370 CA GLN A 24 -3.671 9.927 10.797 1.00 0.00 C ATOM 371 C GLN A 24 -2.861 11.182 10.491 1.00 0.00 C ATOM 372 O GLN A 24 -2.665 12.034 11.358 1.00 0.00 O ATOM 373 CB GLN A 24 -2.749 8.827 11.326 1.00 0.00 C ATOM 374 CG GLN A 24 -3.419 7.901 12.327 1.00 0.00 C ATOM 375 CD GLN A 24 -3.886 6.602 11.698 1.00 0.00 C ATOM 376 OE1 GLN A 24 -2.979 5.641 11.582 1.00 0.00 O flip ATOM 377 NE2 GLN A 24 -5.051 6.466 11.321 1.00 0.00 N flip ATOM 0 H GLN A 24 -4.111 8.534 9.293 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.410 10.171 11.561 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.383 8.237 10.486 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.880 9.288 11.795 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.721 7.679 13.135 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.272 8.411 12.774 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.715 7.232 11.430 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.351 5.587 10.900 1.00 0.00 H new ATOM 386 N GLN A 25 -2.392 11.290 9.251 1.00 0.00 N ATOM 387 CA GLN A 25 -1.604 12.443 8.830 1.00 0.00 C ATOM 388 C GLN A 25 -2.401 13.733 8.982 1.00 0.00 C ATOM 389 O GLN A 25 -3.603 13.768 8.718 1.00 0.00 O ATOM 390 CB GLN A 25 -1.153 12.276 7.378 1.00 0.00 C ATOM 391 CG GLN A 25 -0.050 11.246 7.198 1.00 0.00 C ATOM 392 CD GLN A 25 1.293 11.738 7.704 1.00 0.00 C ATOM 393 OE1 GLN A 25 1.719 12.848 7.390 1.00 0.00 O ATOM 394 NE2 GLN A 25 1.967 10.908 8.492 1.00 0.00 N ATOM 0 H GLN A 25 -2.544 10.594 8.521 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.725 12.504 9.472 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.011 11.987 6.771 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.805 13.238 7.001 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.321 10.332 7.727 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.035 10.990 6.142 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.575 9.996 8.726 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.877 11.183 8.863 1.00 0.00 H new ATOM 403 N VAL A 26 -1.725 14.794 9.411 1.00 0.00 N ATOM 404 CA VAL A 26 -2.370 16.088 9.599 1.00 0.00 C ATOM 405 C VAL A 26 -1.894 17.097 8.559 1.00 0.00 C ATOM 406 O VAL A 26 -2.637 17.995 8.165 1.00 0.00 O ATOM 407 CB VAL A 26 -2.099 16.652 11.006 1.00 0.00 C ATOM 408 CG1 VAL A 26 -2.938 17.896 11.255 1.00 0.00 C ATOM 409 CG2 VAL A 26 -2.370 15.596 12.066 1.00 0.00 C ATOM 0 H VAL A 26 -0.730 14.783 9.635 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.441 15.926 9.481 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.048 16.934 11.067 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.732 18.280 12.254 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.688 18.657 10.516 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.995 17.644 11.174 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.173 16.013 13.054 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.411 15.280 12.007 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.720 14.737 11.899 1.00 0.00 H new ATOM 419 N PHE A 27 -0.649 16.941 8.118 1.00 0.00 N ATOM 420 CA PHE A 27 -0.074 17.840 7.123 1.00 0.00 C ATOM 421 C PHE A 27 -0.031 19.272 7.644 1.00 0.00 C ATOM 422 O PHE A 27 -0.992 20.027 7.492 1.00 0.00 O ATOM 423 CB PHE A 27 -0.879 17.781 5.824 1.00 0.00 C ATOM 424 CG PHE A 27 -1.193 16.383 5.374 1.00 0.00 C ATOM 425 CD1 PHE A 27 -2.346 15.745 5.802 1.00 0.00 C ATOM 426 CD2 PHE A 27 -0.333 15.706 4.523 1.00 0.00 C ATOM 427 CE1 PHE A 27 -2.637 14.459 5.390 1.00 0.00 C ATOM 428 CE2 PHE A 27 -0.619 14.419 4.108 1.00 0.00 C ATOM 429 CZ PHE A 27 -1.772 13.795 4.541 1.00 0.00 C ATOM 0 H PHE A 27 -0.020 16.202 8.433 1.00 0.00 H new ATOM 0 HA PHE A 27 0.947 17.514 6.924 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.812 18.328 5.959 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -0.322 18.290 5.038 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.025 16.259 6.466 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.570 16.189 4.181 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.539 13.973 5.731 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.059 13.902 3.445 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.998 12.790 4.217 1.00 0.00 H new ATOM 439 N ASN A 28 1.089 19.641 8.257 1.00 0.00 N ATOM 440 CA ASN A 28 1.255 20.985 8.801 1.00 0.00 C ATOM 441 C ASN A 28 2.667 21.189 9.340 1.00 0.00 C ATOM 442 O ASN A 28 3.251 22.263 9.187 1.00 0.00 O ATOM 443 CB ASN A 28 0.232 21.239 9.911 1.00 0.00 C ATOM 444 CG ASN A 28 0.195 20.116 10.929 1.00 0.00 C ATOM 445 OD1 ASN A 28 0.964 19.159 10.843 1.00 0.00 O ATOM 446 ND2 ASN A 28 -0.704 20.228 11.900 1.00 0.00 N ATOM 0 H ASN A 28 1.894 19.029 8.390 1.00 0.00 H new ATOM 0 HA ASN A 28 1.090 21.697 7.992 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.471 22.175 10.415 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.757 21.359 9.469 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.777 19.503 12.614 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.322 21.039 11.932 1.00 0.00 H new ATOM 453 N ASP A 29 3.211 20.156 9.974 1.00 0.00 N ATOM 454 CA ASP A 29 4.556 20.227 10.539 1.00 0.00 C ATOM 455 C ASP A 29 5.429 19.101 10.049 1.00 0.00 C ATOM 456 O ASP A 29 6.126 18.461 10.837 1.00 0.00 O ATOM 457 CB ASP A 29 4.495 20.227 12.067 1.00 0.00 C ATOM 458 CG ASP A 29 5.747 20.808 12.695 1.00 0.00 C ATOM 459 OD1 ASP A 29 6.791 20.847 12.011 1.00 0.00 O ATOM 460 OD2 ASP A 29 5.683 21.225 13.871 1.00 0.00 O ATOM 0 H ASP A 29 2.743 19.260 10.110 1.00 0.00 H new ATOM 0 HA ASP A 29 5.004 21.162 10.202 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.628 20.801 12.393 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.353 19.206 12.422 1.00 0.00 H new ATOM 465 N PRO A 30 5.455 18.861 8.732 1.00 0.00 N ATOM 466 CA PRO A 30 6.309 17.836 8.197 1.00 0.00 C ATOM 467 C PRO A 30 7.727 18.361 8.070 1.00 0.00 C ATOM 468 O PRO A 30 7.988 19.340 7.371 1.00 0.00 O ATOM 469 CB PRO A 30 5.704 17.570 6.821 1.00 0.00 C ATOM 470 CG PRO A 30 5.129 18.883 6.410 1.00 0.00 C ATOM 471 CD PRO A 30 4.712 19.583 7.681 1.00 0.00 C ATOM 0 HA PRO A 30 6.366 16.941 8.817 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.460 17.228 6.114 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.937 16.797 6.867 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.864 19.475 5.864 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.276 18.743 5.746 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.972 20.641 7.660 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.635 19.523 7.838 1.00 0.00 H new ATOM 479 N LEU A 31 8.628 17.696 8.753 1.00 0.00 N ATOM 480 CA LEU A 31 10.039 18.066 8.744 1.00 0.00 C ATOM 481 C LEU A 31 10.818 17.218 7.743 1.00 0.00 C ATOM 482 O LEU A 31 11.811 17.669 7.173 1.00 0.00 O ATOM 483 CB LEU A 31 10.639 17.906 10.142 1.00 0.00 C ATOM 484 CG LEU A 31 10.566 19.155 11.024 1.00 0.00 C ATOM 485 CD1 LEU A 31 11.476 20.245 10.480 1.00 0.00 C ATOM 486 CD2 LEU A 31 9.133 19.654 11.122 1.00 0.00 C ATOM 0 H LEU A 31 8.413 16.884 9.332 1.00 0.00 H new ATOM 0 HA LEU A 31 10.113 19.111 8.442 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.125 17.090 10.650 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.684 17.611 10.041 1.00 0.00 H new ATOM 0 HG LEU A 31 10.907 18.891 12.025 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.412 21.125 11.119 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.505 19.885 10.461 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.165 20.507 9.469 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.099 20.542 11.753 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.765 19.902 10.126 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.506 18.876 11.557 1.00 0.00 H new ATOM 498 N VAL A 32 10.361 15.987 7.534 1.00 0.00 N ATOM 499 CA VAL A 32 11.016 15.077 6.603 1.00 0.00 C ATOM 500 C VAL A 32 10.858 15.558 5.164 1.00 0.00 C ATOM 501 O VAL A 32 9.770 15.955 4.748 1.00 0.00 O ATOM 502 CB VAL A 32 10.451 13.649 6.721 1.00 0.00 C ATOM 503 CG1 VAL A 32 11.251 12.683 5.859 1.00 0.00 C ATOM 504 CG2 VAL A 32 10.440 13.194 8.173 1.00 0.00 C ATOM 0 H VAL A 32 9.540 15.598 7.997 1.00 0.00 H new ATOM 0 HA VAL A 32 12.074 15.063 6.865 1.00 0.00 H new ATOM 0 HB VAL A 32 9.423 13.657 6.360 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.836 11.680 5.956 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.200 12.998 4.817 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.291 12.679 6.186 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.037 12.183 8.234 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.457 13.204 8.565 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.818 13.869 8.761 1.00 0.00 H new ATOM 514 N SER A 33 11.951 15.519 4.409 1.00 0.00 N ATOM 515 CA SER A 33 11.935 15.950 3.017 1.00 0.00 C ATOM 516 C SER A 33 11.074 15.021 2.168 1.00 0.00 C ATOM 517 O SER A 33 10.719 13.923 2.597 1.00 0.00 O ATOM 518 CB SER A 33 13.359 15.996 2.458 1.00 0.00 C ATOM 519 OG SER A 33 13.374 16.522 1.142 1.00 0.00 O ATOM 0 H SER A 33 12.859 15.193 4.739 1.00 0.00 H new ATOM 0 HA SER A 33 11.504 16.951 2.979 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.987 16.608 3.105 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.785 14.993 2.457 1.00 0.00 H new ATOM 0 HG SER A 33 14.295 16.542 0.808 1.00 0.00 H new ATOM 525 N GLU A 34 10.740 15.469 0.963 1.00 0.00 N ATOM 526 CA GLU A 34 9.919 14.677 0.053 1.00 0.00 C ATOM 527 C GLU A 34 10.683 13.456 -0.448 1.00 0.00 C ATOM 528 O GLU A 34 10.094 12.409 -0.715 1.00 0.00 O ATOM 529 CB GLU A 34 9.465 15.531 -1.133 1.00 0.00 C ATOM 530 CG GLU A 34 10.615 16.161 -1.903 1.00 0.00 C ATOM 531 CD GLU A 34 10.878 17.595 -1.484 1.00 0.00 C ATOM 532 OE1 GLU A 34 9.904 18.315 -1.182 1.00 0.00 O ATOM 533 OE2 GLU A 34 12.061 17.998 -1.460 1.00 0.00 O ATOM 0 H GLU A 34 11.025 16.376 0.593 1.00 0.00 H new ATOM 0 HA GLU A 34 9.042 14.334 0.602 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.879 14.912 -1.813 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.805 16.320 -0.771 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.518 15.570 -1.750 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.393 16.132 -2.970 1.00 0.00 H new ATOM 540 N GLU A 35 11.999 13.598 -0.572 1.00 0.00 N ATOM 541 CA GLU A 35 12.844 12.506 -1.040 1.00 0.00 C ATOM 542 C GLU A 35 12.776 11.317 -0.088 1.00 0.00 C ATOM 543 O GLU A 35 12.562 10.181 -0.511 1.00 0.00 O ATOM 544 CB GLU A 35 14.292 12.978 -1.181 1.00 0.00 C ATOM 545 CG GLU A 35 14.613 13.559 -2.548 1.00 0.00 C ATOM 546 CD GLU A 35 16.103 13.633 -2.816 1.00 0.00 C ATOM 547 OE1 GLU A 35 16.861 12.886 -2.161 1.00 0.00 O ATOM 548 OE2 GLU A 35 16.513 14.436 -3.680 1.00 0.00 O ATOM 0 H GLU A 35 12.503 14.458 -0.355 1.00 0.00 H new ATOM 0 HA GLU A 35 12.475 12.188 -2.015 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.496 13.730 -0.419 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.959 12.138 -0.987 1.00 0.00 H new ATOM 0 HG2 GLU A 35 14.139 12.950 -3.318 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.184 14.558 -2.624 1.00 0.00 H new ATOM 555 N ASP A 36 12.957 11.586 1.201 1.00 0.00 N ATOM 556 CA ASP A 36 12.915 10.538 2.215 1.00 0.00 C ATOM 557 C ASP A 36 11.520 9.940 2.326 1.00 0.00 C ATOM 558 O ASP A 36 11.354 8.786 2.722 1.00 0.00 O ATOM 559 CB ASP A 36 13.362 11.086 3.571 1.00 0.00 C ATOM 560 CG ASP A 36 14.182 10.084 4.358 1.00 0.00 C ATOM 561 OD1 ASP A 36 13.632 9.025 4.726 1.00 0.00 O ATOM 562 OD2 ASP A 36 15.376 10.357 4.605 1.00 0.00 O ATOM 0 H ASP A 36 13.134 12.521 1.568 1.00 0.00 H new ATOM 0 HA ASP A 36 13.602 9.749 1.910 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.949 11.991 3.418 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.485 11.370 4.152 1.00 0.00 H new ATOM 567 N MET A 37 10.525 10.735 1.975 1.00 0.00 N ATOM 568 CA MET A 37 9.135 10.299 2.030 1.00 0.00 C ATOM 569 C MET A 37 8.876 9.178 1.029 1.00 0.00 C ATOM 570 O MET A 37 8.027 8.315 1.254 1.00 0.00 O ATOM 571 CB MET A 37 8.199 11.476 1.749 1.00 0.00 C ATOM 572 CG MET A 37 6.914 11.437 2.560 1.00 0.00 C ATOM 573 SD MET A 37 6.982 12.493 4.020 1.00 0.00 S ATOM 574 CE MET A 37 7.179 14.105 3.265 1.00 0.00 C ATOM 0 H MET A 37 10.652 11.692 1.646 1.00 0.00 H new ATOM 0 HA MET A 37 8.939 9.918 3.032 1.00 0.00 H new ATOM 0 HB2 MET A 37 8.725 12.407 1.961 1.00 0.00 H new ATOM 0 HB3 MET A 37 7.949 11.486 0.688 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.081 11.749 1.929 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.714 10.411 2.868 1.00 0.00 H new ATOM 0 HE1 MET A 37 6.693 14.859 3.884 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.240 14.338 3.176 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.724 14.101 2.274 1.00 0.00 H new ATOM 584 N VAL A 38 9.612 9.197 -0.077 1.00 0.00 N ATOM 585 CA VAL A 38 9.462 8.182 -1.113 1.00 0.00 C ATOM 586 C VAL A 38 9.869 6.805 -0.598 1.00 0.00 C ATOM 587 O VAL A 38 9.115 5.839 -0.717 1.00 0.00 O ATOM 588 CB VAL A 38 10.303 8.520 -2.359 1.00 0.00 C ATOM 589 CG1 VAL A 38 9.980 7.565 -3.498 1.00 0.00 C ATOM 590 CG2 VAL A 38 10.073 9.964 -2.782 1.00 0.00 C ATOM 0 H VAL A 38 10.319 9.904 -0.279 1.00 0.00 H new ATOM 0 HA VAL A 38 8.408 8.167 -1.389 1.00 0.00 H new ATOM 0 HB VAL A 38 11.357 8.402 -2.106 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.584 7.820 -4.369 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.201 6.543 -3.190 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.923 7.647 -3.753 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.675 10.185 -3.663 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.019 10.111 -3.016 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.361 10.631 -1.970 1.00 0.00 H new ATOM 600 N THR A 39 11.067 6.723 -0.028 1.00 0.00 N ATOM 601 CA THR A 39 11.574 5.464 0.504 1.00 0.00 C ATOM 602 C THR A 39 10.657 4.925 1.597 1.00 0.00 C ATOM 603 O THR A 39 10.419 3.720 1.684 1.00 0.00 O ATOM 604 CB THR A 39 12.988 5.651 1.055 1.00 0.00 C ATOM 605 OG1 THR A 39 13.449 4.462 1.672 1.00 0.00 O ATOM 606 CG2 THR A 39 13.092 6.765 2.074 1.00 0.00 C ATOM 0 H THR A 39 11.704 7.513 0.077 1.00 0.00 H new ATOM 0 HA THR A 39 11.602 4.740 -0.311 1.00 0.00 H new ATOM 0 HB THR A 39 13.600 5.911 0.191 1.00 0.00 H new ATOM 0 HG1 THR A 39 14.356 4.602 2.016 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.121 6.843 2.424 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.792 7.707 1.615 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.438 6.548 2.918 1.00 0.00 H new ATOM 614 N VAL A 40 10.147 5.825 2.431 1.00 0.00 N ATOM 615 CA VAL A 40 9.256 5.439 3.519 1.00 0.00 C ATOM 616 C VAL A 40 8.002 4.754 2.984 1.00 0.00 C ATOM 617 O VAL A 40 7.577 3.723 3.503 1.00 0.00 O ATOM 618 CB VAL A 40 8.840 6.658 4.365 1.00 0.00 C ATOM 619 CG1 VAL A 40 8.042 6.217 5.583 1.00 0.00 C ATOM 620 CG2 VAL A 40 10.063 7.463 4.782 1.00 0.00 C ATOM 0 H VAL A 40 10.335 6.826 2.374 1.00 0.00 H new ATOM 0 HA VAL A 40 9.809 4.742 4.149 1.00 0.00 H new ATOM 0 HB VAL A 40 8.203 7.299 3.755 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.757 7.092 6.168 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.145 5.690 5.259 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.651 5.553 6.196 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.749 8.320 5.378 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.729 6.834 5.373 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.589 7.813 3.893 1.00 0.00 H new ATOM 630 N VAL A 41 7.415 5.336 1.942 1.00 0.00 N ATOM 631 CA VAL A 41 6.211 4.780 1.336 1.00 0.00 C ATOM 632 C VAL A 41 6.489 3.416 0.715 1.00 0.00 C ATOM 633 O VAL A 41 5.648 2.518 0.762 1.00 0.00 O ATOM 634 CB VAL A 41 5.641 5.719 0.255 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.304 5.200 -0.254 1.00 0.00 C ATOM 636 CG2 VAL A 41 5.500 7.135 0.795 1.00 0.00 C ATOM 0 H VAL A 41 7.754 6.191 1.501 1.00 0.00 H new ATOM 0 HA VAL A 41 5.476 4.670 2.134 1.00 0.00 H new ATOM 0 HB VAL A 41 6.339 5.742 -0.582 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.918 5.876 -1.016 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.439 4.208 -0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.597 5.144 0.573 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.096 7.783 0.017 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.825 7.132 1.651 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.477 7.505 1.104 1.00 0.00 H new ATOM 646 N GLU A 42 7.673 3.267 0.131 1.00 0.00 N ATOM 647 CA GLU A 42 8.063 2.012 -0.500 1.00 0.00 C ATOM 648 C GLU A 42 8.331 0.936 0.547 1.00 0.00 C ATOM 649 O GLU A 42 7.974 -0.228 0.361 1.00 0.00 O ATOM 650 CB GLU A 42 9.307 2.217 -1.367 1.00 0.00 C ATOM 651 CG GLU A 42 9.062 3.095 -2.584 1.00 0.00 C ATOM 652 CD GLU A 42 9.778 2.589 -3.820 1.00 0.00 C ATOM 653 OE1 GLU A 42 11.027 2.565 -3.816 1.00 0.00 O ATOM 654 OE2 GLU A 42 9.091 2.217 -4.795 1.00 0.00 O ATOM 0 H GLU A 42 8.380 4.001 0.082 1.00 0.00 H new ATOM 0 HA GLU A 42 7.239 1.681 -1.132 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.094 2.664 -0.759 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.673 1.245 -1.698 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.991 3.144 -2.783 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.392 4.111 -2.367 1.00 0.00 H new ATOM 661 N ASP A 43 8.960 1.332 1.648 1.00 0.00 N ATOM 662 CA ASP A 43 9.275 0.401 2.725 1.00 0.00 C ATOM 663 C ASP A 43 8.022 0.040 3.517 1.00 0.00 C ATOM 664 O ASP A 43 7.895 -1.076 4.019 1.00 0.00 O ATOM 665 CB ASP A 43 10.326 1.006 3.659 1.00 0.00 C ATOM 666 CG ASP A 43 11.161 -0.053 4.352 1.00 0.00 C ATOM 667 OD1 ASP A 43 11.981 -0.704 3.669 1.00 0.00 O ATOM 668 OD2 ASP A 43 10.997 -0.231 5.577 1.00 0.00 O ATOM 0 H ASP A 43 9.262 2.291 1.818 1.00 0.00 H new ATOM 0 HA ASP A 43 9.675 -0.509 2.279 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.980 1.664 3.087 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.830 1.622 4.409 1.00 0.00 H new ATOM 673 N TRP A 44 7.102 0.992 3.623 1.00 0.00 N ATOM 674 CA TRP A 44 5.858 0.774 4.353 1.00 0.00 C ATOM 675 C TRP A 44 5.064 -0.377 3.743 1.00 0.00 C ATOM 676 O TRP A 44 4.557 -1.242 4.458 1.00 0.00 O ATOM 677 CB TRP A 44 5.012 2.050 4.354 1.00 0.00 C ATOM 678 CG TRP A 44 5.210 2.896 5.575 1.00 0.00 C ATOM 679 CD1 TRP A 44 6.235 2.816 6.475 1.00 0.00 C ATOM 680 CD2 TRP A 44 4.358 3.954 6.032 1.00 0.00 C ATOM 681 NE1 TRP A 44 6.072 3.757 7.461 1.00 0.00 N ATOM 682 CE2 TRP A 44 4.927 4.469 7.212 1.00 0.00 C ATOM 683 CE3 TRP A 44 3.169 4.516 5.556 1.00 0.00 C ATOM 684 CZ2 TRP A 44 4.348 5.518 7.922 1.00 0.00 C ATOM 685 CZ3 TRP A 44 2.596 5.556 6.262 1.00 0.00 C ATOM 686 CH2 TRP A 44 3.185 6.049 7.434 1.00 0.00 C ATOM 0 H TRP A 44 7.194 1.922 3.213 1.00 0.00 H new ATOM 0 HA TRP A 44 6.110 0.513 5.381 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.256 2.639 3.470 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.959 1.779 4.276 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.054 2.114 6.419 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.701 3.903 8.251 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.707 4.144 4.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.801 5.899 8.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.677 5.997 5.904 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.712 6.864 7.962 1.00 0.00 H new ATOM 697 N MET A 45 4.961 -0.381 2.418 1.00 0.00 N ATOM 698 CA MET A 45 4.230 -1.426 1.712 1.00 0.00 C ATOM 699 C MET A 45 4.965 -2.760 1.801 1.00 0.00 C ATOM 700 O MET A 45 4.343 -3.819 1.872 1.00 0.00 O ATOM 701 CB MET A 45 4.029 -1.036 0.247 1.00 0.00 C ATOM 702 CG MET A 45 5.322 -0.680 -0.470 1.00 0.00 C ATOM 703 SD MET A 45 5.176 -0.793 -2.263 1.00 0.00 S ATOM 704 CE MET A 45 3.761 0.266 -2.556 1.00 0.00 C ATOM 0 H MET A 45 5.375 0.328 1.812 1.00 0.00 H new ATOM 0 HA MET A 45 3.255 -1.538 2.187 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.548 -1.861 -0.277 1.00 0.00 H new ATOM 0 HB3 MET A 45 3.349 -0.186 0.196 1.00 0.00 H new ATOM 0 HG2 MET A 45 5.617 0.333 -0.197 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.116 -1.346 -0.131 1.00 0.00 H new ATOM 0 HE1 MET A 45 3.126 -0.179 -3.322 1.00 0.00 H new ATOM 0 HE2 MET A 45 3.192 0.377 -1.633 1.00 0.00 H new ATOM 0 HE3 MET A 45 4.103 1.245 -2.891 1.00 0.00 H new ATOM 714 N ASN A 46 6.293 -2.698 1.796 1.00 0.00 N ATOM 715 CA ASN A 46 7.114 -3.900 1.876 1.00 0.00 C ATOM 716 C ASN A 46 6.820 -4.677 3.154 1.00 0.00 C ATOM 717 O ASN A 46 6.893 -5.906 3.176 1.00 0.00 O ATOM 718 CB ASN A 46 8.598 -3.533 1.819 1.00 0.00 C ATOM 719 CG ASN A 46 9.413 -4.536 1.025 1.00 0.00 C ATOM 720 OD1 ASN A 46 9.410 -5.731 1.324 1.00 0.00 O ATOM 721 ND2 ASN A 46 10.115 -4.055 0.006 1.00 0.00 N ATOM 0 H ASN A 46 6.823 -1.828 1.737 1.00 0.00 H new ATOM 0 HA ASN A 46 6.869 -4.534 1.023 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.708 -2.545 1.372 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.993 -3.470 2.833 1.00 0.00 H new ATOM 0 HD21 ASN A 46 10.681 -4.683 -0.565 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.088 -3.058 -0.206 1.00 0.00 H new ATOM 728 N PHE A 47 6.487 -3.953 4.218 1.00 0.00 N ATOM 729 CA PHE A 47 6.181 -4.576 5.500 1.00 0.00 C ATOM 730 C PHE A 47 4.823 -5.269 5.460 1.00 0.00 C ATOM 731 O PHE A 47 4.662 -6.372 5.982 1.00 0.00 O ATOM 732 CB PHE A 47 6.200 -3.529 6.616 1.00 0.00 C ATOM 733 CG PHE A 47 6.485 -4.106 7.975 1.00 0.00 C ATOM 734 CD1 PHE A 47 7.790 -4.303 8.397 1.00 0.00 C ATOM 735 CD2 PHE A 47 5.448 -4.449 8.827 1.00 0.00 C ATOM 736 CE1 PHE A 47 8.055 -4.833 9.646 1.00 0.00 C ATOM 737 CE2 PHE A 47 5.706 -4.979 10.076 1.00 0.00 C ATOM 738 CZ PHE A 47 7.012 -5.171 10.486 1.00 0.00 C ATOM 0 H PHE A 47 6.422 -2.935 4.217 1.00 0.00 H new ATOM 0 HA PHE A 47 6.945 -5.327 5.702 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.954 -2.776 6.384 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.237 -3.019 6.641 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.609 -4.040 7.743 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.426 -4.300 8.511 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.076 -4.983 9.964 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.889 -5.243 10.731 1.00 0.00 H new ATOM 0 HZ PHE A 47 7.217 -5.585 11.462 1.00 0.00 H new ATOM 748 N TYR A 48 3.849 -4.614 4.836 1.00 0.00 N ATOM 749 CA TYR A 48 2.504 -5.168 4.727 1.00 0.00 C ATOM 750 C TYR A 48 2.490 -6.385 3.806 1.00 0.00 C ATOM 751 O TYR A 48 1.845 -7.390 4.100 1.00 0.00 O ATOM 752 CB TYR A 48 1.533 -4.107 4.204 1.00 0.00 C ATOM 753 CG TYR A 48 1.692 -2.757 4.868 1.00 0.00 C ATOM 754 CD1 TYR A 48 1.901 -2.657 6.239 1.00 0.00 C ATOM 755 CD2 TYR A 48 1.635 -1.585 4.126 1.00 0.00 C ATOM 756 CE1 TYR A 48 2.047 -1.425 6.848 1.00 0.00 C ATOM 757 CE2 TYR A 48 1.780 -0.350 4.728 1.00 0.00 C ATOM 758 CZ TYR A 48 1.985 -0.275 6.089 1.00 0.00 C ATOM 759 OH TYR A 48 2.131 0.952 6.693 1.00 0.00 O ATOM 0 H TYR A 48 3.966 -3.700 4.399 1.00 0.00 H new ATOM 0 HA TYR A 48 2.186 -5.483 5.721 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.678 -3.993 3.130 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.512 -4.457 4.353 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.950 -3.555 6.837 1.00 0.00 H new ATOM 0 HD2 TYR A 48 1.474 -1.640 3.059 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.209 -1.363 7.914 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.733 0.552 4.135 1.00 0.00 H new ATOM 0 HH TYR A 48 2.063 1.659 6.018 1.00 0.00 H new ATOM 769 N ILE A 49 3.208 -6.286 2.692 1.00 0.00 N ATOM 770 CA ILE A 49 3.279 -7.378 1.729 1.00 0.00 C ATOM 771 C ILE A 49 3.969 -8.597 2.334 1.00 0.00 C ATOM 772 O ILE A 49 3.631 -9.736 2.017 1.00 0.00 O ATOM 773 CB ILE A 49 4.031 -6.955 0.452 1.00 0.00 C ATOM 774 CG1 ILE A 49 3.446 -5.656 -0.105 1.00 0.00 C ATOM 775 CG2 ILE A 49 3.968 -8.060 -0.593 1.00 0.00 C ATOM 776 CD1 ILE A 49 4.485 -4.738 -0.712 1.00 0.00 C ATOM 0 H ILE A 49 3.749 -5.461 2.434 1.00 0.00 H new ATOM 0 HA ILE A 49 2.253 -7.637 1.466 1.00 0.00 H new ATOM 0 HB ILE A 49 5.077 -6.782 0.707 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.700 -5.898 -0.862 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.928 -5.127 0.695 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.504 -7.745 -1.488 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.428 -8.964 -0.194 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.927 -8.263 -0.846 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.000 -3.837 -1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.218 -4.466 0.047 1.00 0.00 H new ATOM 0 HD13 ILE A 49 4.986 -5.249 -1.534 1.00 0.00 H new ATOM 788 N ASN A 50 4.939 -8.347 3.209 1.00 0.00 N ATOM 789 CA ASN A 50 5.676 -9.423 3.859 1.00 0.00 C ATOM 790 C ASN A 50 4.796 -10.152 4.869 1.00 0.00 C ATOM 791 O ASN A 50 4.946 -11.356 5.084 1.00 0.00 O ATOM 792 CB ASN A 50 6.919 -8.869 4.556 1.00 0.00 C ATOM 793 CG ASN A 50 8.100 -9.817 4.473 1.00 0.00 C ATOM 794 OD1 ASN A 50 8.552 -10.354 5.485 1.00 0.00 O ATOM 795 ND2 ASN A 50 8.606 -10.028 3.264 1.00 0.00 N ATOM 0 H ASN A 50 5.232 -7.409 3.483 1.00 0.00 H new ATOM 0 HA ASN A 50 5.984 -10.134 3.092 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.190 -7.915 4.104 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.688 -8.672 5.603 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.401 -10.656 3.146 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.200 -9.562 2.453 1.00 0.00 H new ATOM 802 N TYR A 51 3.877 -9.417 5.485 1.00 0.00 N ATOM 803 CA TYR A 51 2.972 -9.993 6.473 1.00 0.00 C ATOM 804 C TYR A 51 1.892 -10.833 5.798 1.00 0.00 C ATOM 805 O TYR A 51 1.642 -11.973 6.190 1.00 0.00 O ATOM 806 CB TYR A 51 2.325 -8.888 7.310 1.00 0.00 C ATOM 807 CG TYR A 51 2.161 -9.252 8.768 1.00 0.00 C ATOM 808 CD1 TYR A 51 1.042 -9.947 9.209 1.00 0.00 C ATOM 809 CD2 TYR A 51 3.124 -8.897 9.705 1.00 0.00 C ATOM 810 CE1 TYR A 51 0.888 -10.281 10.542 1.00 0.00 C ATOM 811 CE2 TYR A 51 2.978 -9.228 11.039 1.00 0.00 C ATOM 812 CZ TYR A 51 1.859 -9.919 11.451 1.00 0.00 C ATOM 813 OH TYR A 51 1.709 -10.250 12.779 1.00 0.00 O ATOM 0 H TYR A 51 3.739 -8.420 5.318 1.00 0.00 H new ATOM 0 HA TYR A 51 3.555 -10.641 7.128 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.931 -7.985 7.235 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.347 -8.651 6.891 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.280 -10.231 8.499 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.001 -8.354 9.386 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.012 -10.822 10.869 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.737 -8.947 11.754 1.00 0.00 H new ATOM 0 HH TYR A 51 2.481 -9.923 13.287 1.00 0.00 H new ATOM 823 N TYR A 52 1.256 -10.264 4.779 1.00 0.00 N ATOM 824 CA TYR A 52 0.203 -10.961 4.049 1.00 0.00 C ATOM 825 C TYR A 52 0.739 -12.237 3.409 1.00 0.00 C ATOM 826 O TYR A 52 0.126 -13.299 3.511 1.00 0.00 O ATOM 827 CB TYR A 52 -0.392 -10.048 2.976 1.00 0.00 C ATOM 828 CG TYR A 52 -1.413 -9.069 3.510 1.00 0.00 C ATOM 829 CD1 TYR A 52 -2.598 -9.514 4.083 1.00 0.00 C ATOM 830 CD2 TYR A 52 -1.192 -7.699 3.443 1.00 0.00 C ATOM 831 CE1 TYR A 52 -3.533 -8.622 4.572 1.00 0.00 C ATOM 832 CE2 TYR A 52 -2.121 -6.801 3.931 1.00 0.00 C ATOM 833 CZ TYR A 52 -3.290 -7.267 4.494 1.00 0.00 C ATOM 834 OH TYR A 52 -4.218 -6.376 4.981 1.00 0.00 O ATOM 0 H TYR A 52 1.451 -9.322 4.440 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.579 -11.233 4.758 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.414 -9.493 2.496 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.859 -10.663 2.206 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.791 -10.575 4.147 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.278 -7.330 3.002 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.450 -8.984 5.013 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.933 -5.739 3.872 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.806 -5.492 5.073 1.00 0.00 H new ATOM 844 N ARG A 53 1.888 -12.125 2.749 1.00 0.00 N ATOM 845 CA ARG A 53 2.508 -13.270 2.093 1.00 0.00 C ATOM 846 C ARG A 53 2.760 -14.402 3.088 1.00 0.00 C ATOM 847 O ARG A 53 2.858 -15.567 2.703 1.00 0.00 O ATOM 848 CB ARG A 53 3.824 -12.855 1.433 1.00 0.00 C ATOM 849 CG ARG A 53 4.165 -13.666 0.193 1.00 0.00 C ATOM 850 CD ARG A 53 5.638 -13.548 -0.162 1.00 0.00 C ATOM 851 NE ARG A 53 5.873 -13.733 -1.592 1.00 0.00 N ATOM 852 CZ ARG A 53 7.065 -14.007 -2.118 1.00 0.00 C ATOM 853 NH1 ARG A 53 8.131 -14.129 -1.338 1.00 0.00 N ATOM 854 NH2 ARG A 53 7.191 -14.160 -3.430 1.00 0.00 N ATOM 0 H ARG A 53 2.408 -11.253 2.655 1.00 0.00 H new ATOM 0 HA ARG A 53 1.822 -13.631 1.327 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.769 -11.800 1.163 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.632 -12.957 2.157 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.913 -14.713 0.361 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.559 -13.323 -0.645 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.007 -12.568 0.142 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.206 -14.291 0.398 1.00 0.00 H new ATOM 0 HE ARG A 53 5.077 -13.647 -2.224 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.040 -14.013 -0.329 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.041 -14.339 -1.748 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.375 -14.068 -4.035 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.104 -14.370 -3.834 1.00 0.00 H new ATOM 868 N GLN A 54 2.862 -14.052 4.366 1.00 0.00 N ATOM 869 CA GLN A 54 3.100 -15.042 5.411 1.00 0.00 C ATOM 870 C GLN A 54 1.785 -15.611 5.945 1.00 0.00 C ATOM 871 O GLN A 54 1.778 -16.362 6.922 1.00 0.00 O ATOM 872 CB GLN A 54 3.900 -14.421 6.557 1.00 0.00 C ATOM 873 CG GLN A 54 5.404 -14.451 6.335 1.00 0.00 C ATOM 874 CD GLN A 54 6.182 -14.590 7.629 1.00 0.00 C ATOM 875 OE1 GLN A 54 6.367 -15.695 8.140 1.00 0.00 O ATOM 876 NE2 GLN A 54 6.642 -13.466 8.166 1.00 0.00 N ATOM 0 H GLN A 54 2.784 -13.092 4.703 1.00 0.00 H new ATOM 0 HA GLN A 54 3.673 -15.859 4.973 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.582 -13.387 6.693 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.667 -14.951 7.481 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.653 -15.281 5.674 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.711 -13.537 5.827 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.465 -12.572 7.708 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.172 -13.497 9.037 1.00 0.00 H new ATOM 885 N GLN A 55 0.675 -15.253 5.303 1.00 0.00 N ATOM 886 CA GLN A 55 -0.637 -15.733 5.721 1.00 0.00 C ATOM 887 C GLN A 55 -1.554 -15.919 4.515 1.00 0.00 C ATOM 888 O GLN A 55 -2.724 -15.537 4.546 1.00 0.00 O ATOM 889 CB GLN A 55 -1.269 -14.755 6.713 1.00 0.00 C ATOM 890 CG GLN A 55 -2.303 -15.396 7.624 1.00 0.00 C ATOM 891 CD GLN A 55 -1.777 -15.636 9.026 1.00 0.00 C ATOM 892 OE1 GLN A 55 -1.890 -16.737 9.563 1.00 0.00 O ATOM 893 NE2 GLN A 55 -1.198 -14.602 9.626 1.00 0.00 N ATOM 0 H GLN A 55 0.659 -14.633 4.493 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.507 -16.699 6.209 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.483 -14.312 7.325 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.739 -13.942 6.160 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.183 -14.756 7.675 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.623 -16.344 7.193 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.126 -13.707 9.143 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.825 -14.703 10.570 1.00 0.00 H new ATOM 902 N VAL A 56 -1.013 -16.508 3.454 1.00 0.00 N ATOM 903 CA VAL A 56 -1.780 -16.745 2.235 1.00 0.00 C ATOM 904 C VAL A 56 -2.340 -18.163 2.209 1.00 0.00 C ATOM 905 O VAL A 56 -2.044 -18.972 3.087 1.00 0.00 O ATOM 906 CB VAL A 56 -0.931 -16.518 0.962 1.00 0.00 C ATOM 907 CG1 VAL A 56 -1.755 -15.826 -0.114 1.00 0.00 C ATOM 908 CG2 VAL A 56 0.324 -15.713 1.274 1.00 0.00 C ATOM 0 H VAL A 56 -0.046 -16.830 3.413 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.599 -16.026 2.241 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.620 -17.494 0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.141 -15.675 -1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.615 -16.446 -0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.101 -14.861 0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.901 -15.569 0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.042 -14.742 1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.929 -16.251 2.004 1.00 0.00 H new ATOM 918 N THR A 57 -3.142 -18.459 1.190 1.00 0.00 N ATOM 919 CA THR A 57 -3.738 -19.772 1.036 1.00 0.00 C ATOM 920 C THR A 57 -4.316 -19.930 -0.362 1.00 0.00 C ATOM 921 O THR A 57 -4.837 -18.980 -0.947 1.00 0.00 O ATOM 922 CB THR A 57 -4.836 -20.005 2.072 1.00 0.00 C ATOM 923 OG1 THR A 57 -5.626 -18.841 2.238 1.00 0.00 O ATOM 924 CG2 THR A 57 -4.307 -20.401 3.433 1.00 0.00 C ATOM 0 H THR A 57 -3.392 -17.797 0.455 1.00 0.00 H new ATOM 0 HA THR A 57 -2.953 -20.513 1.190 1.00 0.00 H new ATOM 0 HB THR A 57 -5.428 -20.831 1.679 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.324 -19.012 2.904 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.141 -20.550 4.118 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.738 -21.327 3.347 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.660 -19.612 3.816 1.00 0.00 H new ATOM 932 N GLY A 58 -4.213 -21.135 -0.886 1.00 0.00 N ATOM 933 CA GLY A 58 -4.717 -21.421 -2.213 1.00 0.00 C ATOM 934 C GLY A 58 -3.729 -22.210 -3.041 1.00 0.00 C ATOM 935 O GLY A 58 -3.218 -23.242 -2.605 1.00 0.00 O ATOM 0 H GLY A 58 -3.785 -21.931 -0.413 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.649 -21.980 -2.133 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.949 -20.485 -2.721 1.00 0.00 H new ATOM 939 N GLU A 59 -3.460 -21.714 -4.235 1.00 0.00 N ATOM 940 CA GLU A 59 -2.521 -22.360 -5.144 1.00 0.00 C ATOM 941 C GLU A 59 -1.260 -21.516 -5.299 1.00 0.00 C ATOM 942 O GLU A 59 -1.292 -20.300 -5.109 1.00 0.00 O ATOM 943 CB GLU A 59 -3.175 -22.582 -6.511 1.00 0.00 C ATOM 944 CG GLU A 59 -4.589 -23.130 -6.428 1.00 0.00 C ATOM 945 CD GLU A 59 -4.890 -24.136 -7.522 1.00 0.00 C ATOM 946 OE1 GLU A 59 -4.145 -25.132 -7.634 1.00 0.00 O ATOM 947 OE2 GLU A 59 -5.872 -23.927 -8.266 1.00 0.00 O ATOM 0 H GLU A 59 -3.880 -20.860 -4.603 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.244 -23.327 -4.723 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.192 -21.637 -7.054 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.561 -23.271 -7.090 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.736 -23.601 -5.456 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.299 -22.305 -6.493 1.00 0.00 H new ATOM 954 N PRO A 60 -0.127 -22.147 -5.651 1.00 0.00 N ATOM 955 CA PRO A 60 1.144 -21.444 -5.832 1.00 0.00 C ATOM 956 C PRO A 60 1.006 -20.238 -6.754 1.00 0.00 C ATOM 957 O PRO A 60 1.503 -19.152 -6.453 1.00 0.00 O ATOM 958 CB PRO A 60 2.069 -22.501 -6.459 1.00 0.00 C ATOM 959 CG PRO A 60 1.182 -23.641 -6.839 1.00 0.00 C ATOM 960 CD PRO A 60 0.009 -23.586 -5.904 1.00 0.00 C ATOM 0 HA PRO A 60 1.523 -21.046 -4.891 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.587 -22.100 -7.331 1.00 0.00 H new ATOM 0 HB3 PRO A 60 2.835 -22.820 -5.752 1.00 0.00 H new ATOM 0 HG2 PRO A 60 0.858 -23.554 -7.876 1.00 0.00 H new ATOM 0 HG3 PRO A 60 1.708 -24.591 -6.748 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.890 -24.006 -6.355 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.195 -24.144 -4.986 1.00 0.00 H new ATOM 968 N GLN A 61 0.326 -20.435 -7.878 1.00 0.00 N ATOM 969 CA GLN A 61 0.117 -19.362 -8.843 1.00 0.00 C ATOM 970 C GLN A 61 -0.938 -18.378 -8.349 1.00 0.00 C ATOM 971 O GLN A 61 -0.892 -17.191 -8.671 1.00 0.00 O ATOM 972 CB GLN A 61 -0.299 -19.939 -10.198 1.00 0.00 C ATOM 973 CG GLN A 61 -1.616 -20.697 -10.158 1.00 0.00 C ATOM 974 CD GLN A 61 -1.846 -21.533 -11.401 1.00 0.00 C ATOM 975 OE1 GLN A 61 -1.187 -21.340 -12.424 1.00 0.00 O ATOM 976 NE2 GLN A 61 -2.783 -22.470 -11.320 1.00 0.00 N ATOM 0 H GLN A 61 -0.090 -21.328 -8.143 1.00 0.00 H new ATOM 0 HA GLN A 61 1.059 -18.825 -8.958 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.379 -19.127 -10.920 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.485 -20.607 -10.555 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.632 -21.344 -9.281 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.436 -19.988 -10.045 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.305 -22.596 -10.453 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -2.981 -23.064 -12.125 1.00 0.00 H new ATOM 985 N GLU A 62 -1.889 -18.878 -7.565 1.00 0.00 N ATOM 986 CA GLU A 62 -2.953 -18.036 -7.030 1.00 0.00 C ATOM 987 C GLU A 62 -2.391 -17.021 -6.043 1.00 0.00 C ATOM 988 O GLU A 62 -2.682 -15.828 -6.130 1.00 0.00 O ATOM 989 CB GLU A 62 -4.022 -18.897 -6.351 1.00 0.00 C ATOM 990 CG GLU A 62 -5.303 -19.026 -7.159 1.00 0.00 C ATOM 991 CD GLU A 62 -6.544 -18.998 -6.291 1.00 0.00 C ATOM 992 OE1 GLU A 62 -7.015 -17.888 -5.964 1.00 0.00 O ATOM 993 OE2 GLU A 62 -7.047 -20.086 -5.938 1.00 0.00 O ATOM 0 H GLU A 62 -1.944 -19.858 -7.287 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.411 -17.495 -7.858 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.615 -19.892 -6.170 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.258 -18.468 -5.377 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.354 -18.215 -7.885 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.280 -19.958 -7.724 1.00 0.00 H new ATOM 1000 N ARG A 63 -1.579 -17.500 -5.107 1.00 0.00 N ATOM 1001 CA ARG A 63 -0.973 -16.635 -4.109 1.00 0.00 C ATOM 1002 C ARG A 63 -0.093 -15.582 -4.774 1.00 0.00 C ATOM 1003 O ARG A 63 -0.014 -14.444 -4.315 1.00 0.00 O ATOM 1004 CB ARG A 63 -0.146 -17.467 -3.129 1.00 0.00 C ATOM 1005 CG ARG A 63 0.922 -18.316 -3.799 1.00 0.00 C ATOM 1006 CD ARG A 63 1.899 -18.886 -2.784 1.00 0.00 C ATOM 1007 NE ARG A 63 1.214 -19.472 -1.633 1.00 0.00 N ATOM 1008 CZ ARG A 63 1.818 -19.773 -0.486 1.00 0.00 C ATOM 1009 NH1 ARG A 63 3.117 -19.545 -0.332 1.00 0.00 N ATOM 1010 NH2 ARG A 63 1.122 -20.303 0.510 1.00 0.00 N ATOM 0 H ARG A 63 -1.327 -18.485 -5.021 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.767 -16.126 -3.563 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.330 -16.799 -2.411 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.814 -18.118 -2.565 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.449 -19.131 -4.348 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.464 -17.713 -4.528 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.517 -19.645 -3.263 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.570 -18.097 -2.444 1.00 0.00 H new ATOM 0 HE ARG A 63 0.215 -19.661 -1.714 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.657 -19.137 -1.095 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.575 -19.778 0.549 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.124 -20.480 0.397 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.585 -20.534 1.389 1.00 0.00 H new ATOM 1024 N ASP A 64 0.566 -15.972 -5.862 1.00 0.00 N ATOM 1025 CA ASP A 64 1.437 -15.063 -6.594 1.00 0.00 C ATOM 1026 C ASP A 64 0.622 -14.011 -7.339 1.00 0.00 C ATOM 1027 O ASP A 64 1.030 -12.854 -7.443 1.00 0.00 O ATOM 1028 CB ASP A 64 2.308 -15.842 -7.580 1.00 0.00 C ATOM 1029 CG ASP A 64 3.694 -15.243 -7.727 1.00 0.00 C ATOM 1030 OD1 ASP A 64 4.252 -14.782 -6.710 1.00 0.00 O ATOM 1031 OD2 ASP A 64 4.221 -15.234 -8.859 1.00 0.00 O ATOM 0 H ASP A 64 0.512 -16.912 -6.255 1.00 0.00 H new ATOM 0 HA ASP A 64 2.080 -14.556 -5.874 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.396 -16.876 -7.245 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.819 -15.863 -8.554 1.00 0.00 H new ATOM 1036 N LYS A 65 -0.531 -14.421 -7.859 1.00 0.00 N ATOM 1037 CA LYS A 65 -1.403 -13.516 -8.597 1.00 0.00 C ATOM 1038 C LYS A 65 -2.102 -12.539 -7.657 1.00 0.00 C ATOM 1039 O LYS A 65 -2.336 -11.383 -8.011 1.00 0.00 O ATOM 1040 CB LYS A 65 -2.441 -14.311 -9.391 1.00 0.00 C ATOM 1041 CG LYS A 65 -2.688 -13.765 -10.788 1.00 0.00 C ATOM 1042 CD LYS A 65 -3.952 -12.924 -10.844 1.00 0.00 C ATOM 1043 CE LYS A 65 -3.642 -11.442 -10.717 1.00 0.00 C ATOM 1044 NZ LYS A 65 -3.600 -10.767 -12.044 1.00 0.00 N ATOM 0 H LYS A 65 -0.883 -15.375 -7.782 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.786 -12.943 -9.289 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.112 -15.347 -9.468 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.382 -14.316 -8.840 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.835 -13.162 -11.100 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.769 -14.592 -11.494 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.472 -13.109 -11.784 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.626 -13.226 -10.043 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.397 -10.966 -10.091 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.684 -11.314 -10.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.386 -9.758 -11.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.863 -11.204 -12.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.522 -10.867 -12.514 1.00 0.00 H new ATOM 1058 N ALA A 66 -2.436 -13.010 -6.459 1.00 0.00 N ATOM 1059 CA ALA A 66 -3.110 -12.176 -5.473 1.00 0.00 C ATOM 1060 C ALA A 66 -2.151 -11.159 -4.865 1.00 0.00 C ATOM 1061 O ALA A 66 -2.522 -10.011 -4.618 1.00 0.00 O ATOM 1062 CB ALA A 66 -3.725 -13.042 -4.383 1.00 0.00 C ATOM 0 H ALA A 66 -2.251 -13.964 -6.149 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.905 -11.628 -5.979 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.226 -12.406 -3.653 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.449 -13.725 -4.826 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.941 -13.615 -3.888 1.00 0.00 H new ATOM 1068 N LEU A 67 -0.918 -11.589 -4.622 1.00 0.00 N ATOM 1069 CA LEU A 67 0.093 -10.717 -4.039 1.00 0.00 C ATOM 1070 C LEU A 67 0.629 -9.730 -5.071 1.00 0.00 C ATOM 1071 O LEU A 67 0.934 -8.582 -4.747 1.00 0.00 O ATOM 1072 CB LEU A 67 1.238 -11.550 -3.464 1.00 0.00 C ATOM 1073 CG LEU A 67 1.528 -11.313 -1.981 1.00 0.00 C ATOM 1074 CD1 LEU A 67 1.765 -9.835 -1.712 1.00 0.00 C ATOM 1075 CD2 LEU A 67 0.382 -11.838 -1.127 1.00 0.00 C ATOM 0 H LEU A 67 -0.595 -12.536 -4.820 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.374 -10.147 -3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.008 -12.606 -3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.143 -11.339 -4.034 1.00 0.00 H new ATOM 0 HG LEU A 67 2.434 -11.857 -1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.970 -9.686 -0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.617 -9.491 -2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.878 -9.267 -1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.603 -11.662 -0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.539 -11.321 -1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.261 -12.908 -1.299 1.00 0.00 H new ATOM 1087 N GLN A 68 0.741 -10.185 -6.315 1.00 0.00 N ATOM 1088 CA GLN A 68 1.241 -9.343 -7.395 1.00 0.00 C ATOM 1089 C GLN A 68 0.336 -8.135 -7.612 1.00 0.00 C ATOM 1090 O GLN A 68 0.802 -7.053 -7.968 1.00 0.00 O ATOM 1091 CB GLN A 68 1.351 -10.150 -8.690 1.00 0.00 C ATOM 1092 CG GLN A 68 2.685 -10.860 -8.854 1.00 0.00 C ATOM 1093 CD GLN A 68 2.817 -11.551 -10.197 1.00 0.00 C ATOM 1094 OE1 GLN A 68 2.329 -12.666 -10.386 1.00 0.00 O ATOM 1095 NE2 GLN A 68 3.479 -10.889 -11.140 1.00 0.00 N ATOM 0 H GLN A 68 0.492 -11.132 -6.600 1.00 0.00 H new ATOM 0 HA GLN A 68 2.231 -8.985 -7.111 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.550 -10.889 -8.717 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.198 -9.483 -9.538 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.493 -10.137 -8.740 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.801 -11.596 -8.058 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.867 -9.967 -10.939 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.599 -11.303 -12.065 1.00 0.00 H new ATOM 1104 N GLU A 69 -0.962 -8.327 -7.396 1.00 0.00 N ATOM 1105 CA GLU A 69 -1.931 -7.251 -7.570 1.00 0.00 C ATOM 1106 C GLU A 69 -1.854 -6.256 -6.423 1.00 0.00 C ATOM 1107 O GLU A 69 -2.119 -5.067 -6.600 1.00 0.00 O ATOM 1108 CB GLU A 69 -3.348 -7.815 -7.685 1.00 0.00 C ATOM 1109 CG GLU A 69 -4.411 -6.752 -7.906 1.00 0.00 C ATOM 1110 CD GLU A 69 -5.393 -7.125 -9.000 1.00 0.00 C ATOM 1111 OE1 GLU A 69 -6.130 -8.117 -8.822 1.00 0.00 O ATOM 1112 OE2 GLU A 69 -5.424 -6.425 -10.034 1.00 0.00 O ATOM 0 H GLU A 69 -1.366 -9.216 -7.101 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.686 -6.728 -8.494 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.381 -8.526 -8.510 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.584 -8.369 -6.777 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.955 -6.589 -6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.928 -5.809 -8.163 1.00 0.00 H new ATOM 1119 N LEU A 70 -1.472 -6.743 -5.250 1.00 0.00 N ATOM 1120 CA LEU A 70 -1.342 -5.890 -4.078 1.00 0.00 C ATOM 1121 C LEU A 70 -0.470 -4.681 -4.402 1.00 0.00 C ATOM 1122 O LEU A 70 -0.632 -3.609 -3.819 1.00 0.00 O ATOM 1123 CB LEU A 70 -0.741 -6.676 -2.910 1.00 0.00 C ATOM 1124 CG LEU A 70 -1.371 -6.391 -1.545 1.00 0.00 C ATOM 1125 CD1 LEU A 70 -1.030 -7.498 -0.560 1.00 0.00 C ATOM 1126 CD2 LEU A 70 -0.907 -5.041 -1.017 1.00 0.00 C ATOM 0 H LEU A 70 -1.247 -7.724 -5.086 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.334 -5.542 -3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.836 -7.741 -3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.325 -6.456 -2.854 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.454 -6.360 -1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.486 -7.279 0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.411 -8.448 -0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.052 -7.561 -0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.364 -4.854 -0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.178 -5.044 -0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.202 -4.257 -1.714 1.00 0.00 H new ATOM 1138 N ARG A 71 0.458 -4.868 -5.338 1.00 0.00 N ATOM 1139 CA ARG A 71 1.361 -3.798 -5.744 1.00 0.00 C ATOM 1140 C ARG A 71 0.610 -2.703 -6.496 1.00 0.00 C ATOM 1141 O ARG A 71 0.876 -1.516 -6.312 1.00 0.00 O ATOM 1142 CB ARG A 71 2.483 -4.357 -6.621 1.00 0.00 C ATOM 1143 CG ARG A 71 3.720 -4.766 -5.837 1.00 0.00 C ATOM 1144 CD ARG A 71 4.648 -3.584 -5.604 1.00 0.00 C ATOM 1145 NE ARG A 71 6.055 -3.965 -5.704 1.00 0.00 N ATOM 1146 CZ ARG A 71 7.046 -3.097 -5.895 1.00 0.00 C ATOM 1147 NH1 ARG A 71 6.789 -1.800 -6.005 1.00 0.00 N ATOM 1148 NH2 ARG A 71 8.297 -3.527 -5.974 1.00 0.00 N ATOM 0 H ARG A 71 0.603 -5.751 -5.828 1.00 0.00 H new ATOM 0 HA ARG A 71 1.793 -3.362 -4.844 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.108 -5.221 -7.169 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.763 -3.607 -7.361 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.421 -5.190 -4.878 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.253 -5.547 -6.378 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.431 -2.803 -6.333 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.456 -3.161 -4.618 1.00 0.00 H new ATOM 0 HE ARG A 71 6.292 -4.954 -5.623 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.828 -1.463 -5.943 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.552 -1.139 -6.151 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.500 -4.523 -5.888 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.057 -2.862 -6.120 1.00 0.00 H new ATOM 1162 N GLN A 72 -0.327 -3.112 -7.344 1.00 0.00 N ATOM 1163 CA GLN A 72 -1.116 -2.165 -8.126 1.00 0.00 C ATOM 1164 C GLN A 72 -1.904 -1.228 -7.218 1.00 0.00 C ATOM 1165 O GLN A 72 -1.886 -0.011 -7.400 1.00 0.00 O ATOM 1166 CB GLN A 72 -2.071 -2.913 -9.058 1.00 0.00 C ATOM 1167 CG GLN A 72 -1.397 -3.469 -10.302 1.00 0.00 C ATOM 1168 CD GLN A 72 -2.242 -3.299 -11.550 1.00 0.00 C ATOM 1169 OE1 GLN A 72 -3.357 -3.815 -11.632 1.00 0.00 O ATOM 1170 NE2 GLN A 72 -1.714 -2.573 -12.528 1.00 0.00 N ATOM 0 H GLN A 72 -0.559 -4.092 -7.508 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.428 -1.566 -8.724 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.534 -3.733 -8.509 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.873 -2.239 -9.360 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.439 -2.969 -10.446 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.185 -4.528 -10.153 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.786 -2.164 -12.416 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -2.236 -2.424 -13.391 1.00 0.00 H new ATOM 1179 N GLU A 73 -2.595 -1.803 -6.239 1.00 0.00 N ATOM 1180 CA GLU A 73 -3.390 -1.018 -5.303 1.00 0.00 C ATOM 1181 C GLU A 73 -2.515 -0.029 -4.540 1.00 0.00 C ATOM 1182 O GLU A 73 -2.838 1.155 -4.441 1.00 0.00 O ATOM 1183 CB GLU A 73 -4.116 -1.938 -4.320 1.00 0.00 C ATOM 1184 CG GLU A 73 -4.986 -2.985 -4.996 1.00 0.00 C ATOM 1185 CD GLU A 73 -6.284 -2.410 -5.527 1.00 0.00 C ATOM 1186 OE1 GLU A 73 -6.301 -1.213 -5.884 1.00 0.00 O ATOM 1187 OE2 GLU A 73 -7.284 -3.156 -5.586 1.00 0.00 O ATOM 0 H GLU A 73 -2.620 -2.809 -6.074 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.127 -0.456 -5.876 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.379 -2.440 -3.693 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.737 -1.333 -3.660 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.431 -3.438 -5.817 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.209 -3.781 -4.285 1.00 0.00 H new ATOM 1194 N LEU A 74 -1.406 -0.524 -3.999 1.00 0.00 N ATOM 1195 CA LEU A 74 -0.483 0.315 -3.243 1.00 0.00 C ATOM 1196 C LEU A 74 0.229 1.307 -4.159 1.00 0.00 C ATOM 1197 O LEU A 74 0.550 2.423 -3.750 1.00 0.00 O ATOM 1198 CB LEU A 74 0.545 -0.552 -2.514 1.00 0.00 C ATOM 1199 CG LEU A 74 -0.042 -1.537 -1.501 1.00 0.00 C ATOM 1200 CD1 LEU A 74 1.069 -2.286 -0.781 1.00 0.00 C ATOM 1201 CD2 LEU A 74 -0.932 -0.809 -0.504 1.00 0.00 C ATOM 0 H LEU A 74 -1.125 -1.502 -4.070 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.061 0.877 -2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.116 -1.112 -3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.248 0.101 -1.997 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.652 -2.263 -2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.633 -2.982 -0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.665 -2.839 -1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.706 -1.575 -0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.341 -1.525 0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.345 -0.061 0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.748 -0.319 -1.035 1.00 0.00 H new ATOM 1213 N ASN A 75 0.474 0.892 -5.398 1.00 0.00 N ATOM 1214 CA ASN A 75 1.150 1.745 -6.370 1.00 0.00 C ATOM 1215 C ASN A 75 0.382 3.045 -6.585 1.00 0.00 C ATOM 1216 O ASN A 75 0.953 4.133 -6.516 1.00 0.00 O ATOM 1217 CB ASN A 75 1.311 1.007 -7.701 1.00 0.00 C ATOM 1218 CG ASN A 75 2.079 1.822 -8.724 1.00 0.00 C ATOM 1219 OD1 ASN A 75 1.490 2.549 -9.524 1.00 0.00 O ATOM 1220 ND2 ASN A 75 3.401 1.703 -8.703 1.00 0.00 N ATOM 0 H ASN A 75 0.215 -0.029 -5.753 1.00 0.00 H new ATOM 0 HA ASN A 75 2.136 1.990 -5.976 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.828 0.063 -7.530 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.326 0.763 -8.100 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.971 2.226 -9.368 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.847 1.088 -8.022 1.00 0.00 H new ATOM 1227 N THR A 76 -0.915 2.925 -6.847 1.00 0.00 N ATOM 1228 CA THR A 76 -1.760 4.088 -7.074 1.00 0.00 C ATOM 1229 C THR A 76 -2.087 4.797 -5.769 1.00 0.00 C ATOM 1230 O THR A 76 -2.164 6.022 -5.727 1.00 0.00 O ATOM 1231 CB THR A 76 -3.054 3.699 -7.764 1.00 0.00 C ATOM 1232 OG1 THR A 76 -3.495 2.421 -7.337 1.00 0.00 O ATOM 1233 CG2 THR A 76 -2.952 3.682 -9.275 1.00 0.00 C ATOM 0 H THR A 76 -1.403 2.031 -6.907 1.00 0.00 H new ATOM 0 HA THR A 76 -1.199 4.766 -7.718 1.00 0.00 H new ATOM 0 HB THR A 76 -3.770 4.470 -7.480 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.331 2.194 -7.795 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.913 3.396 -9.701 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.678 4.675 -9.632 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.191 2.964 -9.580 1.00 0.00 H new ATOM 1241 N LEU A 77 -2.295 4.025 -4.706 1.00 0.00 N ATOM 1242 CA LEU A 77 -2.626 4.604 -3.408 1.00 0.00 C ATOM 1243 C LEU A 77 -1.630 5.704 -3.067 1.00 0.00 C ATOM 1244 O LEU A 77 -1.961 6.673 -2.383 1.00 0.00 O ATOM 1245 CB LEU A 77 -2.615 3.523 -2.323 1.00 0.00 C ATOM 1246 CG LEU A 77 -3.996 3.026 -1.892 1.00 0.00 C ATOM 1247 CD1 LEU A 77 -3.881 1.703 -1.150 1.00 0.00 C ATOM 1248 CD2 LEU A 77 -4.689 4.068 -1.025 1.00 0.00 C ATOM 0 H LEU A 77 -2.241 3.006 -4.717 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.627 5.032 -3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.036 2.673 -2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.096 3.913 -1.447 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.599 2.865 -2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.874 1.366 -0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.426 0.958 -1.803 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.261 1.836 -0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.670 3.699 -0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.088 4.260 -0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.806 4.993 -1.590 1.00 0.00 H new ATOM 1260 N ALA A 78 -0.414 5.554 -3.574 1.00 0.00 N ATOM 1261 CA ALA A 78 0.635 6.535 -3.363 1.00 0.00 C ATOM 1262 C ALA A 78 0.362 7.811 -4.162 1.00 0.00 C ATOM 1263 O ALA A 78 0.792 8.897 -3.772 1.00 0.00 O ATOM 1264 CB ALA A 78 1.988 5.952 -3.743 1.00 0.00 C ATOM 0 H ALA A 78 -0.131 4.754 -4.139 1.00 0.00 H new ATOM 0 HA ALA A 78 0.649 6.795 -2.304 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.765 6.699 -3.580 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.192 5.075 -3.128 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.978 5.663 -4.794 1.00 0.00 H new ATOM 1270 N ASN A 79 -0.341 7.675 -5.293 1.00 0.00 N ATOM 1271 CA ASN A 79 -0.643 8.826 -6.145 1.00 0.00 C ATOM 1272 C ASN A 79 -1.236 9.991 -5.346 1.00 0.00 C ATOM 1273 O ASN A 79 -0.718 11.107 -5.395 1.00 0.00 O ATOM 1274 CB ASN A 79 -1.608 8.421 -7.262 1.00 0.00 C ATOM 1275 CG ASN A 79 -1.277 9.090 -8.582 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -1.577 10.266 -8.787 1.00 0.00 O ATOM 1277 ND2 ASN A 79 -0.655 8.342 -9.484 1.00 0.00 N ATOM 0 H ASN A 79 -0.707 6.787 -5.635 1.00 0.00 H new ATOM 0 HA ASN A 79 0.298 9.163 -6.579 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.579 7.339 -7.389 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.626 8.681 -6.971 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.406 8.738 -10.391 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.426 7.371 -9.271 1.00 0.00 H new ATOM 1284 N PRO A 80 -2.329 9.755 -4.596 1.00 0.00 N ATOM 1285 CA PRO A 80 -2.971 10.804 -3.795 1.00 0.00 C ATOM 1286 C PRO A 80 -2.085 11.281 -2.649 1.00 0.00 C ATOM 1287 O PRO A 80 -2.185 12.427 -2.210 1.00 0.00 O ATOM 1288 CB PRO A 80 -4.229 10.122 -3.249 1.00 0.00 C ATOM 1289 CG PRO A 80 -3.919 8.667 -3.283 1.00 0.00 C ATOM 1290 CD PRO A 80 -3.025 8.464 -4.473 1.00 0.00 C ATOM 0 HA PRO A 80 -3.178 11.696 -4.387 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.451 10.455 -2.235 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -5.102 10.355 -3.859 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.424 8.352 -2.364 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.830 8.076 -3.374 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.325 7.643 -4.316 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.597 8.228 -5.370 1.00 0.00 H new ATOM 1298 N PHE A 81 -1.217 10.395 -2.169 1.00 0.00 N ATOM 1299 CA PHE A 81 -0.314 10.727 -1.074 1.00 0.00 C ATOM 1300 C PHE A 81 0.823 11.623 -1.557 1.00 0.00 C ATOM 1301 O PHE A 81 1.098 12.666 -0.963 1.00 0.00 O ATOM 1302 CB PHE A 81 0.257 9.451 -0.453 1.00 0.00 C ATOM 1303 CG PHE A 81 0.945 9.680 0.863 1.00 0.00 C ATOM 1304 CD1 PHE A 81 0.220 10.048 1.985 1.00 0.00 C ATOM 1305 CD2 PHE A 81 2.318 9.526 0.978 1.00 0.00 C ATOM 1306 CE1 PHE A 81 0.851 10.260 3.196 1.00 0.00 C ATOM 1307 CE2 PHE A 81 2.954 9.736 2.186 1.00 0.00 C ATOM 1308 CZ PHE A 81 2.219 10.103 3.297 1.00 0.00 C ATOM 0 H PHE A 81 -1.121 9.443 -2.521 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.883 11.269 -0.319 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -0.550 8.733 -0.311 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.964 9.002 -1.150 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.851 10.171 1.912 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.897 9.238 0.113 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.275 10.548 4.063 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.024 9.614 2.262 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.714 10.267 4.243 1.00 0.00 H new ATOM 1318 N LEU A 82 1.478 11.209 -2.636 1.00 0.00 N ATOM 1319 CA LEU A 82 2.585 11.975 -3.197 1.00 0.00 C ATOM 1320 C LEU A 82 2.080 13.245 -3.875 1.00 0.00 C ATOM 1321 O LEU A 82 2.668 14.317 -3.723 1.00 0.00 O ATOM 1322 CB LEU A 82 3.364 11.124 -4.202 1.00 0.00 C ATOM 1323 CG LEU A 82 4.338 10.121 -3.583 1.00 0.00 C ATOM 1324 CD1 LEU A 82 3.635 8.805 -3.289 1.00 0.00 C ATOM 1325 CD2 LEU A 82 5.528 9.898 -4.503 1.00 0.00 C ATOM 0 H LEU A 82 1.262 10.348 -3.139 1.00 0.00 H new ATOM 0 HA LEU A 82 3.248 12.259 -2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.652 10.580 -4.823 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.921 11.788 -4.863 1.00 0.00 H new ATOM 0 HG LEU A 82 4.703 10.532 -2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.344 8.104 -2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.816 8.978 -2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.241 8.388 -4.216 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.211 9.181 -4.047 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.180 9.509 -5.460 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.047 10.843 -4.662 1.00 0.00 H new ATOM 1337 N ALA A 83 0.987 13.118 -4.620 1.00 0.00 N ATOM 1338 CA ALA A 83 0.403 14.256 -5.320 1.00 0.00 C ATOM 1339 C ALA A 83 -0.041 15.335 -4.338 1.00 0.00 C ATOM 1340 O ALA A 83 0.063 16.528 -4.623 1.00 0.00 O ATOM 1341 CB ALA A 83 -0.770 13.803 -6.175 1.00 0.00 C ATOM 0 H ALA A 83 0.488 12.239 -4.754 1.00 0.00 H new ATOM 0 HA ALA A 83 1.167 14.684 -5.969 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.197 14.662 -6.692 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.426 13.073 -6.908 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.530 13.348 -5.539 1.00 0.00 H new ATOM 1347 N LYS A 84 -0.538 14.907 -3.182 1.00 0.00 N ATOM 1348 CA LYS A 84 -0.999 15.838 -2.158 1.00 0.00 C ATOM 1349 C LYS A 84 0.170 16.617 -1.564 1.00 0.00 C ATOM 1350 O LYS A 84 0.168 17.848 -1.556 1.00 0.00 O ATOM 1351 CB LYS A 84 -1.740 15.085 -1.052 1.00 0.00 C ATOM 1352 CG LYS A 84 -3.233 14.947 -1.305 1.00 0.00 C ATOM 1353 CD LYS A 84 -3.980 16.216 -0.931 1.00 0.00 C ATOM 1354 CE LYS A 84 -5.451 15.937 -0.660 1.00 0.00 C ATOM 1355 NZ LYS A 84 -6.301 16.243 -1.844 1.00 0.00 N ATOM 0 H LYS A 84 -0.632 13.923 -2.931 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.682 16.546 -2.627 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.305 14.091 -0.946 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.587 15.603 -0.105 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.405 14.718 -2.357 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.625 14.109 -0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.524 16.661 -0.047 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.889 16.944 -1.737 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.577 14.890 -0.383 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.783 16.534 0.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.296 16.040 -1.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.201 17.248 -2.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.001 15.655 -2.648 1.00 0.00 H new ATOM 1369 N TYR A 85 1.168 15.891 -1.067 1.00 0.00 N ATOM 1370 CA TYR A 85 2.343 16.515 -0.471 1.00 0.00 C ATOM 1371 C TYR A 85 3.059 17.406 -1.482 1.00 0.00 C ATOM 1372 O TYR A 85 3.528 18.492 -1.144 1.00 0.00 O ATOM 1373 CB TYR A 85 3.302 15.445 0.054 1.00 0.00 C ATOM 1374 CG TYR A 85 3.119 15.137 1.524 1.00 0.00 C ATOM 1375 CD1 TYR A 85 3.363 16.103 2.492 1.00 0.00 C ATOM 1376 CD2 TYR A 85 2.702 13.879 1.942 1.00 0.00 C ATOM 1377 CE1 TYR A 85 3.198 15.824 3.835 1.00 0.00 C ATOM 1378 CE2 TYR A 85 2.533 13.593 3.283 1.00 0.00 C ATOM 1379 CZ TYR A 85 2.782 14.568 4.225 1.00 0.00 C ATOM 1380 OH TYR A 85 2.615 14.287 5.562 1.00 0.00 O ATOM 0 H TYR A 85 1.185 14.871 -1.066 1.00 0.00 H new ATOM 0 HA TYR A 85 2.012 17.136 0.361 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.162 14.530 -0.521 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.327 15.773 -0.115 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.687 17.088 2.190 1.00 0.00 H new ATOM 0 HD2 TYR A 85 2.507 13.112 1.207 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.394 16.585 4.576 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.207 12.611 3.592 1.00 0.00 H new ATOM 0 HH TYR A 85 2.140 13.435 5.660 1.00 0.00 H new ATOM 1390 N ARG A 86 3.139 16.938 -2.723 1.00 0.00 N ATOM 1391 CA ARG A 86 3.797 17.692 -3.784 1.00 0.00 C ATOM 1392 C ARG A 86 3.111 19.037 -4.000 1.00 0.00 C ATOM 1393 O ARG A 86 3.772 20.063 -4.165 1.00 0.00 O ATOM 1394 CB ARG A 86 3.793 16.890 -5.086 1.00 0.00 C ATOM 1395 CG ARG A 86 5.011 15.996 -5.253 1.00 0.00 C ATOM 1396 CD ARG A 86 4.766 14.907 -6.284 1.00 0.00 C ATOM 1397 NE ARG A 86 5.984 14.553 -7.008 1.00 0.00 N ATOM 1398 CZ ARG A 86 7.022 13.931 -6.454 1.00 0.00 C ATOM 1399 NH1 ARG A 86 6.994 13.593 -5.171 1.00 0.00 N ATOM 1400 NH2 ARG A 86 8.091 13.646 -7.185 1.00 0.00 N ATOM 0 H ARG A 86 2.756 16.040 -3.019 1.00 0.00 H new ATOM 0 HA ARG A 86 4.828 17.874 -3.481 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.894 16.275 -5.122 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.741 17.580 -5.928 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.867 16.599 -5.556 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.264 15.541 -4.295 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.369 14.021 -5.788 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.008 15.242 -6.992 1.00 0.00 H new ATOM 0 HE ARG A 86 6.043 14.797 -7.997 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.174 13.810 -4.604 1.00 0.00 H new ATOM 0 HH12 ARG A 86 7.792 13.116 -4.752 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.118 13.903 -8.172 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.887 13.169 -6.761 1.00 0.00 H new ATOM 1414 N ASP A 87 1.782 19.026 -3.996 1.00 0.00 N ATOM 1415 CA ASP A 87 1.007 20.245 -4.191 1.00 0.00 C ATOM 1416 C ASP A 87 0.961 21.072 -2.911 1.00 0.00 C ATOM 1417 O ASP A 87 0.939 22.302 -2.954 1.00 0.00 O ATOM 1418 CB ASP A 87 -0.414 19.905 -4.642 1.00 0.00 C ATOM 1419 CG ASP A 87 -0.544 19.846 -6.152 1.00 0.00 C ATOM 1420 OD1 ASP A 87 -0.042 20.770 -6.827 1.00 0.00 O ATOM 1421 OD2 ASP A 87 -1.147 18.877 -6.660 1.00 0.00 O ATOM 0 H ASP A 87 1.220 18.186 -3.860 1.00 0.00 H new ATOM 0 HA ASP A 87 1.496 20.835 -4.966 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.707 18.945 -4.217 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.105 20.651 -4.250 1.00 0.00 H new ATOM 1426 N PHE A 88 0.946 20.389 -1.771 1.00 0.00 N ATOM 1427 CA PHE A 88 0.904 21.061 -0.477 1.00 0.00 C ATOM 1428 C PHE A 88 2.123 21.958 -0.290 1.00 0.00 C ATOM 1429 O PHE A 88 1.991 23.148 -0.002 1.00 0.00 O ATOM 1430 CB PHE A 88 0.835 20.031 0.653 1.00 0.00 C ATOM 1431 CG PHE A 88 0.029 20.490 1.833 1.00 0.00 C ATOM 1432 CD1 PHE A 88 0.474 21.533 2.631 1.00 0.00 C ATOM 1433 CD2 PHE A 88 -1.175 19.879 2.147 1.00 0.00 C ATOM 1434 CE1 PHE A 88 -0.265 21.957 3.718 1.00 0.00 C ATOM 1435 CE2 PHE A 88 -1.919 20.299 3.233 1.00 0.00 C ATOM 1436 CZ PHE A 88 -1.463 21.338 4.019 1.00 0.00 C ATOM 0 H PHE A 88 0.962 19.371 -1.717 1.00 0.00 H new ATOM 0 HA PHE A 88 0.010 21.684 -0.447 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.405 19.107 0.266 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.847 19.797 0.983 1.00 0.00 H new ATOM 0 HD1 PHE A 88 1.410 22.020 2.400 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.536 19.065 1.536 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.093 22.771 4.331 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -2.856 19.815 3.466 1.00 0.00 H new ATOM 0 HZ PHE A 88 -2.042 21.667 4.869 1.00 0.00 H new ATOM 1446 N LEU A 89 3.307 21.380 -0.455 1.00 0.00 N ATOM 1447 CA LEU A 89 4.551 22.128 -0.303 1.00 0.00 C ATOM 1448 C LEU A 89 5.474 21.898 -1.497 1.00 0.00 C ATOM 1449 O LEU A 89 5.614 22.762 -2.362 1.00 0.00 O ATOM 1450 CB LEU A 89 5.264 21.730 0.993 1.00 0.00 C ATOM 1451 CG LEU A 89 4.996 20.300 1.475 1.00 0.00 C ATOM 1452 CD1 LEU A 89 6.271 19.671 2.017 1.00 0.00 C ATOM 1453 CD2 LEU A 89 3.904 20.292 2.533 1.00 0.00 C ATOM 0 H LEU A 89 3.433 20.396 -0.694 1.00 0.00 H new ATOM 0 HA LEU A 89 4.301 23.188 -0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.338 21.852 0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.966 22.423 1.780 1.00 0.00 H new ATOM 0 HG LEU A 89 4.657 19.708 0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.061 18.656 2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.026 19.643 1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.641 20.263 2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.726 19.269 2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.216 20.900 3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.986 20.702 2.112 1.00 0.00 H new ATOM 1465 N LYS A 90 6.101 20.727 -1.537 1.00 0.00 N ATOM 1466 CA LYS A 90 7.010 20.384 -2.625 1.00 0.00 C ATOM 1467 C LYS A 90 7.315 18.890 -2.628 1.00 0.00 C ATOM 1468 O LYS A 90 7.604 18.348 -3.717 1.00 0.00 O ATOM 1469 CB LYS A 90 8.309 21.181 -2.503 1.00 0.00 C ATOM 1470 CG LYS A 90 9.156 21.162 -3.765 1.00 0.00 C ATOM 1471 CD LYS A 90 10.238 20.097 -3.693 1.00 0.00 C ATOM 1472 CE LYS A 90 10.818 19.798 -5.066 1.00 0.00 C ATOM 1473 NZ LYS A 90 11.451 21.000 -5.675 1.00 0.00 N ATOM 1474 OXT LYS A 90 7.265 18.273 -1.544 1.00 1.00 O ATOM 0 H LYS A 90 5.997 20.000 -0.829 1.00 0.00 H new ATOM 0 HA LYS A 90 6.523 20.639 -3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.069 22.214 -2.252 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.895 20.780 -1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.519 20.977 -4.630 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.615 22.140 -3.911 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.033 20.429 -3.026 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.823 19.184 -3.265 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.557 19.001 -4.982 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.028 19.432 -5.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.937 20.729 -6.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.719 21.707 -5.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.140 21.404 -5.009 1.00 0.00 H new