USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 588 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 61 LYS NZ :NH3+ 139:sc= 0.376 (180deg=-0.168) USER MOD Set 1.2: A 66 TYR OH : rot 50:sc= -0.354 USER MOD Set 2.1: A 13 LYS NZ :NH3+ -153:sc= 0.394 (180deg=-0.00576) USER MOD Set 2.2: A 17 SER OG : rot 180:sc= 0.378 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.421 USER MOD Single : A 18 GLN : amide:sc= -0.993 X(o=-0.99,f=-1.2) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -118:sc= -0.358 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -6.5! C(o=-6.5!,f=-22!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -0.859 F(o=-2.2,f=-0.86) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= -0.136 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -1.54 K(o=-1.5,f=-9.2!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.451 X(o=-0.45,f=-0.38) USER MOD Single : A 58 GLN : amide:sc= -1.19 K(o=-1.2,f=-5.3!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.035 K(o=-0.035,f=-1.3!) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc=-0.00526 X(o=-0.0053,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 7.390 -13.133 -7.387 1.00 0.00 N ATOM 60 CA GLY A 7 6.770 -11.825 -7.260 1.00 0.00 C ATOM 61 C GLY A 7 7.410 -11.021 -6.127 1.00 0.00 C ATOM 62 O GLY A 7 8.231 -11.546 -5.376 1.00 0.00 O ATOM 0 HA2 GLY A 7 6.869 -11.279 -8.198 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.703 -11.942 -7.070 1.00 0.00 H new ATOM 66 N LEU A 8 7.009 -9.761 -6.038 1.00 0.00 N ATOM 67 CA LEU A 8 7.534 -8.880 -5.008 1.00 0.00 C ATOM 68 C LEU A 8 6.553 -8.833 -3.835 1.00 0.00 C ATOM 69 O LEU A 8 5.340 -8.794 -4.037 1.00 0.00 O ATOM 70 CB LEU A 8 7.858 -7.505 -5.595 1.00 0.00 C ATOM 71 CG LEU A 8 8.369 -6.457 -4.604 1.00 0.00 C ATOM 72 CD1 LEU A 8 9.708 -5.876 -5.062 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.321 -5.367 -4.370 1.00 0.00 C ATOM 0 H LEU A 8 6.327 -9.329 -6.662 1.00 0.00 H new ATOM 0 HA LEU A 8 8.477 -9.266 -4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.607 -7.633 -6.377 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.960 -7.116 -6.074 1.00 0.00 H new ATOM 0 HG LEU A 8 8.542 -6.948 -3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.049 -5.134 -4.340 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.445 -6.675 -5.136 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.585 -5.404 -6.037 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.709 -4.635 -3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.093 -4.873 -5.314 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.413 -5.816 -3.967 1.00 0.00 H new ATOM 85 N GLU A 9 7.114 -8.838 -2.635 1.00 0.00 N ATOM 86 CA GLU A 9 6.304 -8.797 -1.430 1.00 0.00 C ATOM 87 C GLU A 9 6.139 -7.353 -0.951 1.00 0.00 C ATOM 88 O GLU A 9 7.057 -6.544 -1.078 1.00 0.00 O ATOM 89 CB GLU A 9 6.909 -9.673 -0.331 1.00 0.00 C ATOM 90 CG GLU A 9 5.945 -9.819 0.847 1.00 0.00 C ATOM 91 CD GLU A 9 6.704 -10.106 2.145 1.00 0.00 C ATOM 92 OE1 GLU A 9 7.926 -9.841 2.158 1.00 0.00 O ATOM 93 OE2 GLU A 9 6.046 -10.584 3.093 1.00 0.00 O ATOM 0 H GLU A 9 8.120 -8.870 -2.471 1.00 0.00 H new ATOM 0 HA GLU A 9 5.318 -9.197 -1.665 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.147 -10.657 -0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.846 -9.235 0.013 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.360 -8.906 0.958 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.241 -10.627 0.647 1.00 0.00 H new ATOM 100 N VAL A 10 4.962 -7.073 -0.411 1.00 0.00 N ATOM 101 CA VAL A 10 4.664 -5.741 0.087 1.00 0.00 C ATOM 102 C VAL A 10 3.756 -5.851 1.313 1.00 0.00 C ATOM 103 O VAL A 10 2.737 -6.540 1.276 1.00 0.00 O ATOM 104 CB VAL A 10 4.061 -4.887 -1.029 1.00 0.00 C ATOM 105 CG1 VAL A 10 3.754 -3.473 -0.533 1.00 0.00 C ATOM 106 CG2 VAL A 10 4.982 -4.852 -2.251 1.00 0.00 C ATOM 0 H VAL A 10 4.203 -7.746 -0.307 1.00 0.00 H new ATOM 0 HA VAL A 10 5.578 -5.239 0.403 1.00 0.00 H new ATOM 0 HB VAL A 10 3.120 -5.347 -1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.326 -2.887 -1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.043 -3.523 0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.674 -3.000 -0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.530 -4.238 -3.030 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.946 -4.428 -1.968 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.127 -5.865 -2.626 1.00 0.00 H new ATOM 116 N LEU A 11 4.156 -5.161 2.371 1.00 0.00 N ATOM 117 CA LEU A 11 3.391 -5.172 3.606 1.00 0.00 C ATOM 118 C LEU A 11 2.684 -3.826 3.775 1.00 0.00 C ATOM 119 O LEU A 11 3.013 -2.858 3.092 1.00 0.00 O ATOM 120 CB LEU A 11 4.286 -5.550 4.788 1.00 0.00 C ATOM 121 CG LEU A 11 4.801 -6.991 4.806 1.00 0.00 C ATOM 122 CD1 LEU A 11 5.810 -7.226 3.680 1.00 0.00 C ATOM 123 CD2 LEU A 11 5.378 -7.350 6.177 1.00 0.00 C ATOM 0 H LEU A 11 5.001 -4.590 2.398 1.00 0.00 H new ATOM 0 HA LEU A 11 2.615 -5.937 3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.144 -4.878 4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.732 -5.372 5.709 1.00 0.00 H new ATOM 0 HG LEU A 11 3.958 -7.658 4.627 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.161 -8.257 3.715 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.333 -7.037 2.718 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.657 -6.551 3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.737 -8.379 6.163 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.206 -6.680 6.410 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.603 -7.247 6.936 1.00 0.00 H new ATOM 135 N VAL A 12 1.726 -3.807 4.691 1.00 0.00 N ATOM 136 CA VAL A 12 0.970 -2.596 4.958 1.00 0.00 C ATOM 137 C VAL A 12 0.524 -2.591 6.422 1.00 0.00 C ATOM 138 O VAL A 12 -0.251 -3.449 6.841 1.00 0.00 O ATOM 139 CB VAL A 12 -0.198 -2.480 3.977 1.00 0.00 C ATOM 140 CG1 VAL A 12 -1.205 -1.428 4.445 1.00 0.00 C ATOM 141 CG2 VAL A 12 0.302 -2.170 2.564 1.00 0.00 C ATOM 0 H VAL A 12 1.457 -4.611 5.257 1.00 0.00 H new ATOM 0 HA VAL A 12 1.594 -1.715 4.805 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.708 -3.443 3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.025 -1.366 3.730 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.597 -1.709 5.423 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.712 -0.459 4.517 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.548 -2.093 1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.848 -1.227 2.570 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.962 -2.970 2.228 1.00 0.00 H new ATOM 151 N LYS A 13 1.033 -1.615 7.159 1.00 0.00 N ATOM 152 CA LYS A 13 0.696 -1.487 8.567 1.00 0.00 C ATOM 153 C LYS A 13 -0.302 -0.342 8.746 1.00 0.00 C ATOM 154 O LYS A 13 0.039 0.822 8.541 1.00 0.00 O ATOM 155 CB LYS A 13 1.965 -1.335 9.409 1.00 0.00 C ATOM 156 CG LYS A 13 1.624 -1.205 10.895 1.00 0.00 C ATOM 157 CD LYS A 13 2.886 -0.983 11.730 1.00 0.00 C ATOM 158 CE LYS A 13 2.582 -1.098 13.225 1.00 0.00 C ATOM 159 NZ LYS A 13 2.670 -2.509 13.665 1.00 0.00 N ATOM 0 H LYS A 13 1.676 -0.905 6.808 1.00 0.00 H new ATOM 0 HA LYS A 13 0.209 -2.393 8.927 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.613 -2.197 9.255 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.520 -0.456 9.081 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.935 -0.373 11.042 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.113 -2.106 11.235 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.644 -1.716 11.452 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.300 0.002 11.514 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.285 -0.489 13.793 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.585 -0.708 13.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.054 -2.654 14.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.365 -3.134 12.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.653 -2.732 13.923 1.00 0.00 H new ATOM 173 N THR A 14 -1.516 -0.712 9.128 1.00 0.00 N ATOM 174 CA THR A 14 -2.566 0.270 9.338 1.00 0.00 C ATOM 175 C THR A 14 -2.422 0.919 10.715 1.00 0.00 C ATOM 176 O THR A 14 -1.595 0.497 11.521 1.00 0.00 O ATOM 177 CB THR A 14 -3.913 -0.427 9.132 1.00 0.00 C ATOM 178 OG1 THR A 14 -3.892 -1.504 10.066 1.00 0.00 O ATOM 179 CG2 THR A 14 -4.013 -1.117 7.770 1.00 0.00 C ATOM 0 H THR A 14 -1.796 -1.678 9.297 1.00 0.00 H new ATOM 0 HA THR A 14 -2.493 1.087 8.620 1.00 0.00 H new ATOM 0 HB THR A 14 -4.718 0.302 9.229 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.729 -2.009 10.002 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.988 -1.596 7.675 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.893 -0.378 6.978 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.229 -1.870 7.685 1.00 0.00 H new ATOM 187 N LEU A 15 -3.240 1.936 10.943 1.00 0.00 N ATOM 188 CA LEU A 15 -3.215 2.648 12.210 1.00 0.00 C ATOM 189 C LEU A 15 -3.928 1.812 13.275 1.00 0.00 C ATOM 190 O LEU A 15 -4.886 2.274 13.892 1.00 0.00 O ATOM 191 CB LEU A 15 -3.791 4.056 12.045 1.00 0.00 C ATOM 192 CG LEU A 15 -3.548 4.726 10.691 1.00 0.00 C ATOM 193 CD1 LEU A 15 -2.207 4.290 10.097 1.00 0.00 C ATOM 194 CD2 LEU A 15 -4.712 4.466 9.733 1.00 0.00 C ATOM 0 H LEU A 15 -3.924 2.284 10.272 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.188 2.787 12.549 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.866 4.010 12.217 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.371 4.693 12.824 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.496 5.803 10.847 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.059 4.780 9.135 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.401 4.570 10.775 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.205 3.209 9.957 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.513 4.953 8.778 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.822 3.393 9.577 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.631 4.866 10.160 1.00 0.00 H new ATOM 206 N ASP A 16 -3.432 0.597 13.457 1.00 0.00 N ATOM 207 CA ASP A 16 -4.010 -0.307 14.437 1.00 0.00 C ATOM 208 C ASP A 16 -3.150 -1.569 14.529 1.00 0.00 C ATOM 209 O ASP A 16 -3.671 -2.667 14.724 1.00 0.00 O ATOM 210 CB ASP A 16 -5.424 -0.727 14.032 1.00 0.00 C ATOM 211 CG ASP A 16 -6.406 -0.896 15.193 1.00 0.00 C ATOM 212 OD1 ASP A 16 -5.943 -1.329 16.270 1.00 0.00 O ATOM 213 OD2 ASP A 16 -7.598 -0.587 14.977 1.00 0.00 O ATOM 0 H ASP A 16 -2.637 0.218 12.943 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.049 0.213 15.394 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.824 0.017 13.343 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.365 -1.669 13.486 1.00 0.00 H new ATOM 218 N SER A 17 -1.848 -1.372 14.384 1.00 0.00 N ATOM 219 CA SER A 17 -0.911 -2.480 14.448 1.00 0.00 C ATOM 220 C SER A 17 -1.499 -3.704 13.744 1.00 0.00 C ATOM 221 O SER A 17 -1.933 -4.652 14.397 1.00 0.00 O ATOM 222 CB SER A 17 -0.559 -2.821 15.898 1.00 0.00 C ATOM 223 OG SER A 17 0.821 -3.142 16.051 1.00 0.00 O ATOM 0 H SER A 17 -1.420 -0.461 14.222 1.00 0.00 H new ATOM 0 HA SER A 17 0.006 -2.182 13.940 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.808 -1.976 16.540 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.166 -3.663 16.230 1.00 0.00 H new ATOM 0 HG SER A 17 1.006 -3.352 16.990 1.00 0.00 H new ATOM 229 N GLN A 18 -1.495 -3.645 12.420 1.00 0.00 N ATOM 230 CA GLN A 18 -2.023 -4.736 11.620 1.00 0.00 C ATOM 231 C GLN A 18 -1.303 -4.803 10.271 1.00 0.00 C ATOM 232 O GLN A 18 -1.749 -4.202 9.295 1.00 0.00 O ATOM 233 CB GLN A 18 -3.534 -4.595 11.428 1.00 0.00 C ATOM 234 CG GLN A 18 -4.290 -5.038 12.682 1.00 0.00 C ATOM 235 CD GLN A 18 -5.499 -5.901 12.316 1.00 0.00 C ATOM 236 OE1 GLN A 18 -5.377 -7.000 11.801 1.00 0.00 O ATOM 237 NE2 GLN A 18 -6.671 -5.344 12.611 1.00 0.00 N ATOM 0 H GLN A 18 -1.134 -2.858 11.881 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.843 -5.670 12.153 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.780 -3.558 11.198 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.853 -5.195 10.576 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.622 -5.600 13.335 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.620 -4.162 13.241 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.702 -4.420 13.042 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.538 -5.841 12.406 1.00 0.00 H new ATOM 246 N THR A 19 -0.200 -5.538 10.261 1.00 0.00 N ATOM 247 CA THR A 19 0.586 -5.690 9.048 1.00 0.00 C ATOM 248 C THR A 19 0.032 -6.832 8.194 1.00 0.00 C ATOM 249 O THR A 19 -0.331 -7.884 8.717 1.00 0.00 O ATOM 250 CB THR A 19 2.047 -5.890 9.455 1.00 0.00 C ATOM 251 OG1 THR A 19 2.369 -4.710 10.185 1.00 0.00 O ATOM 252 CG2 THR A 19 2.998 -5.857 8.256 1.00 0.00 C ATOM 0 H THR A 19 0.168 -6.034 11.073 1.00 0.00 H new ATOM 0 HA THR A 19 0.526 -4.799 8.423 1.00 0.00 H new ATOM 0 HB THR A 19 2.152 -6.842 9.976 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.300 -4.757 10.488 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.022 -6.004 8.600 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.732 -6.651 7.559 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.918 -4.892 7.755 1.00 0.00 H new ATOM 260 N ARG A 20 -0.017 -6.584 6.893 1.00 0.00 N ATOM 261 CA ARG A 20 -0.521 -7.578 5.960 1.00 0.00 C ATOM 262 C ARG A 20 0.427 -7.715 4.767 1.00 0.00 C ATOM 263 O ARG A 20 0.636 -6.758 4.023 1.00 0.00 O ATOM 264 CB ARG A 20 -1.915 -7.202 5.455 1.00 0.00 C ATOM 265 CG ARG A 20 -2.978 -7.478 6.521 1.00 0.00 C ATOM 266 CD ARG A 20 -4.147 -6.499 6.396 1.00 0.00 C ATOM 267 NE ARG A 20 -4.699 -6.196 7.735 1.00 0.00 N ATOM 268 CZ ARG A 20 -5.684 -5.315 7.960 1.00 0.00 C ATOM 269 NH1 ARG A 20 -6.230 -4.646 6.936 1.00 0.00 N ATOM 270 NH2 ARG A 20 -6.122 -5.105 9.208 1.00 0.00 N ATOM 0 H ARG A 20 0.284 -5.709 6.463 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.583 -8.529 6.490 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.934 -6.147 5.182 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.144 -7.769 4.553 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.343 -8.500 6.420 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.534 -7.395 7.513 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.812 -5.580 5.915 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.924 -6.926 5.762 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.305 -6.688 8.537 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.896 -4.807 5.986 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.980 -3.976 7.107 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.706 -5.615 9.987 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.871 -4.435 9.379 1.00 0.00 H new ATOM 284 N THR A 21 0.975 -8.913 4.622 1.00 0.00 N ATOM 285 CA THR A 21 1.895 -9.187 3.531 1.00 0.00 C ATOM 286 C THR A 21 1.128 -9.380 2.222 1.00 0.00 C ATOM 287 O THR A 21 0.087 -10.035 2.198 1.00 0.00 O ATOM 288 CB THR A 21 2.743 -10.399 3.923 1.00 0.00 C ATOM 289 OG1 THR A 21 3.815 -9.843 4.679 1.00 0.00 O ATOM 290 CG2 THR A 21 3.432 -11.045 2.719 1.00 0.00 C ATOM 0 H THR A 21 0.800 -9.704 5.241 1.00 0.00 H new ATOM 0 HA THR A 21 2.565 -8.345 3.357 1.00 0.00 H new ATOM 0 HB THR A 21 2.113 -11.137 4.420 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.665 -10.034 4.230 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.021 -11.900 3.052 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.679 -11.379 2.005 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.088 -10.317 2.241 1.00 0.00 H new ATOM 298 N PHE A 22 1.673 -8.797 1.163 1.00 0.00 N ATOM 299 CA PHE A 22 1.053 -8.896 -0.147 1.00 0.00 C ATOM 300 C PHE A 22 2.088 -9.246 -1.218 1.00 0.00 C ATOM 301 O PHE A 22 3.228 -8.790 -1.157 1.00 0.00 O ATOM 302 CB PHE A 22 0.453 -7.524 -0.463 1.00 0.00 C ATOM 303 CG PHE A 22 -0.739 -7.148 0.419 1.00 0.00 C ATOM 304 CD1 PHE A 22 -1.876 -7.893 0.379 1.00 0.00 C ATOM 305 CD2 PHE A 22 -0.663 -6.069 1.243 1.00 0.00 C ATOM 306 CE1 PHE A 22 -2.983 -7.545 1.197 1.00 0.00 C ATOM 307 CE2 PHE A 22 -1.769 -5.720 2.061 1.00 0.00 C ATOM 308 CZ PHE A 22 -2.906 -6.465 2.021 1.00 0.00 C ATOM 0 H PHE A 22 2.537 -8.255 1.186 1.00 0.00 H new ATOM 0 HA PHE A 22 0.295 -9.680 -0.142 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.228 -6.766 -0.351 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.139 -7.508 -1.507 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.937 -8.750 -0.275 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.240 -5.477 1.275 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.886 -8.137 1.165 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.708 -4.863 2.715 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.748 -6.199 2.643 1.00 0.00 H new ATOM 318 N ILE A 23 1.652 -10.052 -2.175 1.00 0.00 N ATOM 319 CA ILE A 23 2.527 -10.469 -3.258 1.00 0.00 C ATOM 320 C ILE A 23 1.982 -9.931 -4.583 1.00 0.00 C ATOM 321 O ILE A 23 1.006 -10.456 -5.116 1.00 0.00 O ATOM 322 CB ILE A 23 2.715 -11.987 -3.242 1.00 0.00 C ATOM 323 CG1 ILE A 23 3.369 -12.444 -1.937 1.00 0.00 C ATOM 324 CG2 ILE A 23 3.497 -12.456 -4.470 1.00 0.00 C ATOM 325 CD1 ILE A 23 4.881 -12.217 -1.973 1.00 0.00 C ATOM 0 H ILE A 23 0.705 -10.427 -2.223 1.00 0.00 H new ATOM 0 HA ILE A 23 3.523 -10.047 -3.127 1.00 0.00 H new ATOM 0 HB ILE A 23 1.731 -12.454 -3.290 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.936 -11.899 -1.098 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.160 -13.501 -1.772 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.616 -13.539 -4.434 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.954 -12.181 -5.374 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.479 -11.983 -4.479 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.321 -12.550 -1.033 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.314 -12.783 -2.798 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.086 -11.156 -2.114 1.00 0.00 H new ATOM 337 N VAL A 24 2.637 -8.890 -5.076 1.00 0.00 N ATOM 338 CA VAL A 24 2.231 -8.275 -6.328 1.00 0.00 C ATOM 339 C VAL A 24 3.441 -8.175 -7.259 1.00 0.00 C ATOM 340 O VAL A 24 4.582 -8.293 -6.814 1.00 0.00 O ATOM 341 CB VAL A 24 1.573 -6.921 -6.057 1.00 0.00 C ATOM 342 CG1 VAL A 24 0.285 -7.089 -5.248 1.00 0.00 C ATOM 343 CG2 VAL A 24 2.543 -5.971 -5.352 1.00 0.00 C ATOM 0 H VAL A 24 3.446 -8.457 -4.631 1.00 0.00 H new ATOM 0 HA VAL A 24 1.484 -8.890 -6.830 1.00 0.00 H new ATOM 0 HB VAL A 24 1.310 -6.479 -7.018 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.163 -6.111 -5.069 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.415 -7.712 -5.804 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.514 -7.563 -4.294 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.050 -5.016 -5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.852 -6.406 -4.401 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.420 -5.814 -5.981 1.00 0.00 H new ATOM 353 N GLY A 25 3.152 -7.959 -8.533 1.00 0.00 N ATOM 354 CA GLY A 25 4.202 -7.842 -9.530 1.00 0.00 C ATOM 355 C GLY A 25 5.014 -6.562 -9.324 1.00 0.00 C ATOM 356 O GLY A 25 4.461 -5.464 -9.326 1.00 0.00 O ATOM 0 H GLY A 25 2.205 -7.862 -8.898 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.861 -8.708 -9.472 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.763 -7.842 -10.528 1.00 0.00 H new ATOM 360 N ALA A 26 6.315 -6.747 -9.149 1.00 0.00 N ATOM 361 CA ALA A 26 7.209 -5.620 -8.941 1.00 0.00 C ATOM 362 C ALA A 26 6.860 -4.508 -9.932 1.00 0.00 C ATOM 363 O ALA A 26 6.919 -3.328 -9.592 1.00 0.00 O ATOM 364 CB ALA A 26 8.660 -6.088 -9.077 1.00 0.00 C ATOM 0 H ALA A 26 6.771 -7.659 -9.147 1.00 0.00 H new ATOM 0 HA ALA A 26 7.089 -5.215 -7.936 1.00 0.00 H new ATOM 0 HB1 ALA A 26 9.331 -5.243 -8.921 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.866 -6.857 -8.332 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.818 -6.498 -10.075 1.00 0.00 H new ATOM 370 N GLN A 27 6.505 -4.924 -11.139 1.00 0.00 N ATOM 371 CA GLN A 27 6.147 -3.978 -12.182 1.00 0.00 C ATOM 372 C GLN A 27 4.948 -3.134 -11.743 1.00 0.00 C ATOM 373 O GLN A 27 4.924 -1.924 -11.962 1.00 0.00 O ATOM 374 CB GLN A 27 5.857 -4.698 -13.500 1.00 0.00 C ATOM 375 CG GLN A 27 7.154 -5.151 -14.174 1.00 0.00 C ATOM 376 CD GLN A 27 6.884 -6.262 -15.192 1.00 0.00 C ATOM 377 OE1 GLN A 27 6.555 -6.019 -16.341 1.00 0.00 O ATOM 378 NE2 GLN A 27 7.041 -7.490 -14.706 1.00 0.00 N ATOM 0 H GLN A 27 6.458 -5.904 -11.418 1.00 0.00 H new ATOM 0 HA GLN A 27 6.994 -3.313 -12.349 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.219 -5.562 -13.314 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.308 -4.034 -14.168 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.625 -4.303 -14.672 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.855 -5.507 -13.419 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.318 -7.622 -13.733 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.884 -8.300 -15.306 1.00 0.00 H new ATOM 387 N MET A 28 3.984 -3.805 -11.132 1.00 0.00 N ATOM 388 CA MET A 28 2.786 -3.132 -10.661 1.00 0.00 C ATOM 389 C MET A 28 3.116 -1.741 -10.117 1.00 0.00 C ATOM 390 O MET A 28 4.183 -1.533 -9.541 1.00 0.00 O ATOM 391 CB MET A 28 2.129 -3.968 -9.560 1.00 0.00 C ATOM 392 CG MET A 28 0.840 -3.309 -9.067 1.00 0.00 C ATOM 393 SD MET A 28 0.100 -4.301 -7.781 1.00 0.00 S ATOM 394 CE MET A 28 -0.835 -5.451 -8.776 1.00 0.00 C ATOM 0 H MET A 28 4.008 -4.809 -10.952 1.00 0.00 H new ATOM 0 HA MET A 28 2.101 -3.020 -11.502 1.00 0.00 H new ATOM 0 HB2 MET A 28 1.910 -4.966 -9.939 1.00 0.00 H new ATOM 0 HB3 MET A 28 2.822 -4.088 -8.727 1.00 0.00 H new ATOM 0 HG2 MET A 28 1.055 -2.310 -8.689 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.141 -3.193 -9.896 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.363 -6.149 -8.126 1.00 0.00 H new ATOM 0 HE2 MET A 28 -1.556 -4.904 -9.384 1.00 0.00 H new ATOM 0 HE3 MET A 28 -0.157 -6.004 -9.427 1.00 0.00 H new ATOM 404 N ASN A 29 2.182 -0.823 -10.319 1.00 0.00 N ATOM 405 CA ASN A 29 2.361 0.542 -9.856 1.00 0.00 C ATOM 406 C ASN A 29 1.664 0.713 -8.505 1.00 0.00 C ATOM 407 O ASN A 29 0.864 -0.130 -8.104 1.00 0.00 O ATOM 408 CB ASN A 29 1.743 1.541 -10.836 1.00 0.00 C ATOM 409 CG ASN A 29 0.390 1.042 -11.349 1.00 0.00 C ATOM 410 OD1 ASN A 29 0.192 -0.133 -11.610 1.00 0.00 O ATOM 411 ND2 ASN A 29 -0.526 1.998 -11.477 1.00 0.00 N ATOM 0 H ASN A 29 1.298 -0.998 -10.797 1.00 0.00 H new ATOM 0 HA ASN A 29 3.431 0.733 -9.773 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.616 2.506 -10.345 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.419 1.697 -11.676 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.461 1.767 -11.812 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.293 2.962 -11.240 1.00 0.00 H new ATOM 418 N VAL A 30 1.994 1.811 -7.840 1.00 0.00 N ATOM 419 CA VAL A 30 1.411 2.103 -6.542 1.00 0.00 C ATOM 420 C VAL A 30 -0.115 2.056 -6.651 1.00 0.00 C ATOM 421 O VAL A 30 -0.780 1.422 -5.832 1.00 0.00 O ATOM 422 CB VAL A 30 1.931 3.446 -6.024 1.00 0.00 C ATOM 423 CG1 VAL A 30 1.035 3.988 -4.909 1.00 0.00 C ATOM 424 CG2 VAL A 30 3.382 3.327 -5.553 1.00 0.00 C ATOM 0 H VAL A 30 2.658 2.509 -8.176 1.00 0.00 H new ATOM 0 HA VAL A 30 1.709 1.350 -5.812 1.00 0.00 H new ATOM 0 HB VAL A 30 1.904 4.157 -6.850 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.427 4.943 -4.559 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.024 4.129 -5.291 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.015 3.279 -4.081 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.727 4.295 -5.190 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.444 2.594 -4.748 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.009 3.007 -6.385 1.00 0.00 H new ATOM 434 N LYS A 31 -0.625 2.734 -7.668 1.00 0.00 N ATOM 435 CA LYS A 31 -2.059 2.776 -7.895 1.00 0.00 C ATOM 436 C LYS A 31 -2.612 1.350 -7.909 1.00 0.00 C ATOM 437 O LYS A 31 -3.361 0.961 -7.014 1.00 0.00 O ATOM 438 CB LYS A 31 -2.378 3.572 -9.163 1.00 0.00 C ATOM 439 CG LYS A 31 -3.853 3.429 -9.544 1.00 0.00 C ATOM 440 CD LYS A 31 -4.359 4.684 -10.259 1.00 0.00 C ATOM 441 CE LYS A 31 -4.607 5.819 -9.264 1.00 0.00 C ATOM 442 NZ LYS A 31 -5.958 6.391 -9.457 1.00 0.00 N ATOM 0 H LYS A 31 -0.071 3.259 -8.344 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.557 3.303 -7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.140 4.624 -9.006 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.751 3.222 -9.983 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.983 2.561 -10.190 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.448 3.252 -8.648 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.629 5.002 -11.004 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.281 4.456 -10.793 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.506 5.446 -8.245 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.854 6.596 -9.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.110 7.160 -8.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.042 6.765 -10.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.673 5.650 -9.309 1.00 0.00 H new ATOM 456 N GLU A 32 -2.221 0.608 -8.936 1.00 0.00 N ATOM 457 CA GLU A 32 -2.668 -0.767 -9.078 1.00 0.00 C ATOM 458 C GLU A 32 -2.689 -1.462 -7.716 1.00 0.00 C ATOM 459 O GLU A 32 -3.720 -1.990 -7.300 1.00 0.00 O ATOM 460 CB GLU A 32 -1.788 -1.530 -10.070 1.00 0.00 C ATOM 461 CG GLU A 32 -2.247 -1.289 -11.509 1.00 0.00 C ATOM 462 CD GLU A 32 -1.599 -2.291 -12.466 1.00 0.00 C ATOM 463 OE1 GLU A 32 -0.369 -2.477 -12.346 1.00 0.00 O ATOM 464 OE2 GLU A 32 -2.348 -2.849 -13.297 1.00 0.00 O ATOM 0 H GLU A 32 -1.600 0.934 -9.677 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.683 -0.759 -9.475 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.751 -1.215 -9.958 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.823 -2.596 -9.847 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.332 -1.374 -11.568 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.990 -0.274 -11.811 1.00 0.00 H new ATOM 471 N PHE A 33 -1.539 -1.441 -7.058 1.00 0.00 N ATOM 472 CA PHE A 33 -1.412 -2.063 -5.751 1.00 0.00 C ATOM 473 C PHE A 33 -2.581 -1.675 -4.844 1.00 0.00 C ATOM 474 O PHE A 33 -3.194 -2.535 -4.213 1.00 0.00 O ATOM 475 CB PHE A 33 -0.111 -1.547 -5.135 1.00 0.00 C ATOM 476 CG PHE A 33 0.294 -2.263 -3.845 1.00 0.00 C ATOM 477 CD1 PHE A 33 0.668 -3.570 -3.882 1.00 0.00 C ATOM 478 CD2 PHE A 33 0.280 -1.593 -2.662 1.00 0.00 C ATOM 479 CE1 PHE A 33 1.043 -4.235 -2.684 1.00 0.00 C ATOM 480 CE2 PHE A 33 0.656 -2.258 -1.464 1.00 0.00 C ATOM 481 CZ PHE A 33 1.029 -3.565 -1.501 1.00 0.00 C ATOM 0 H PHE A 33 -0.686 -1.003 -7.406 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.411 -3.148 -5.854 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.692 -1.653 -5.865 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.216 -0.482 -4.930 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.680 -4.102 -4.822 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.017 -0.555 -2.633 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.339 -5.273 -2.713 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.646 -1.726 -0.524 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.314 -4.071 -0.591 1.00 0.00 H new ATOM 491 N LYS A 34 -2.856 -0.379 -4.807 1.00 0.00 N ATOM 492 CA LYS A 34 -3.940 0.133 -3.987 1.00 0.00 C ATOM 493 C LYS A 34 -5.226 -0.628 -4.317 1.00 0.00 C ATOM 494 O LYS A 34 -5.956 -1.039 -3.416 1.00 0.00 O ATOM 495 CB LYS A 34 -4.065 1.650 -4.150 1.00 0.00 C ATOM 496 CG LYS A 34 -2.855 2.367 -3.549 1.00 0.00 C ATOM 497 CD LYS A 34 -3.162 3.844 -3.297 1.00 0.00 C ATOM 498 CE LYS A 34 -1.876 4.671 -3.245 1.00 0.00 C ATOM 499 NZ LYS A 34 -2.118 6.039 -3.755 1.00 0.00 N ATOM 0 H LYS A 34 -2.346 0.332 -5.332 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.731 -0.035 -2.931 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.152 1.900 -5.207 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.977 1.998 -3.664 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.571 1.886 -2.613 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.004 2.279 -4.224 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.811 4.224 -4.086 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.705 3.951 -2.358 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.509 4.719 -2.220 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.101 4.187 -3.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.235 6.587 -3.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.447 5.989 -4.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.842 6.504 -3.171 1.00 0.00 H new ATOM 513 N GLU A 35 -5.464 -0.793 -5.610 1.00 0.00 N ATOM 514 CA GLU A 35 -6.649 -1.497 -6.069 1.00 0.00 C ATOM 515 C GLU A 35 -6.577 -2.973 -5.670 1.00 0.00 C ATOM 516 O GLU A 35 -7.602 -3.599 -5.408 1.00 0.00 O ATOM 517 CB GLU A 35 -6.825 -1.346 -7.581 1.00 0.00 C ATOM 518 CG GLU A 35 -7.009 0.123 -7.967 1.00 0.00 C ATOM 519 CD GLU A 35 -7.824 0.253 -9.256 1.00 0.00 C ATOM 520 OE1 GLU A 35 -7.577 -0.565 -10.168 1.00 0.00 O ATOM 521 OE2 GLU A 35 -8.675 1.167 -9.299 1.00 0.00 O ATOM 0 H GLU A 35 -4.856 -0.451 -6.354 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.521 -1.053 -5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.955 -1.755 -8.095 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.689 -1.923 -7.910 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.512 0.655 -7.159 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.034 0.593 -8.100 1.00 0.00 H new ATOM 528 N HIS A 36 -5.355 -3.485 -5.636 1.00 0.00 N ATOM 529 CA HIS A 36 -5.136 -4.875 -5.274 1.00 0.00 C ATOM 530 C HIS A 36 -5.484 -5.081 -3.798 1.00 0.00 C ATOM 531 O HIS A 36 -6.331 -5.910 -3.467 1.00 0.00 O ATOM 532 CB HIS A 36 -3.707 -5.306 -5.612 1.00 0.00 C ATOM 533 CG HIS A 36 -3.452 -6.783 -5.430 1.00 0.00 C ATOM 534 ND1 HIS A 36 -2.639 -7.446 -4.558 1.00 0.00 N flip ATOM 535 CD2 HIS A 36 -4.071 -7.751 -6.202 1.00 0.00 C flip ATOM 536 CE1 HIS A 36 -2.756 -8.749 -4.784 1.00 0.00 C flip ATOM 537 NE2 HIS A 36 -3.643 -8.940 -5.803 1.00 0.00 N flip ATOM 0 H HIS A 36 -4.507 -2.962 -5.853 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.795 -5.516 -5.860 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.492 -5.035 -6.646 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -3.012 -4.748 -4.985 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -4.782 -7.568 -6.994 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -2.235 -9.529 -4.249 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -3.927 -9.840 -6.190 1.00 0.00 H new ATOM 545 N ILE A 37 -4.813 -4.314 -2.952 1.00 0.00 N ATOM 546 CA ILE A 37 -5.041 -4.403 -1.520 1.00 0.00 C ATOM 547 C ILE A 37 -6.434 -3.861 -1.195 1.00 0.00 C ATOM 548 O ILE A 37 -7.090 -4.340 -0.271 1.00 0.00 O ATOM 549 CB ILE A 37 -3.915 -3.704 -0.754 1.00 0.00 C ATOM 550 CG1 ILE A 37 -3.906 -2.201 -1.043 1.00 0.00 C ATOM 551 CG2 ILE A 37 -2.563 -4.354 -1.053 1.00 0.00 C ATOM 552 CD1 ILE A 37 -2.790 -1.500 -0.267 1.00 0.00 C ATOM 0 H ILE A 37 -4.111 -3.628 -3.231 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.019 -5.443 -1.195 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.101 -3.825 0.313 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.771 -2.033 -2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.869 -1.769 -0.771 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.780 -3.838 -0.496 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.590 -5.402 -0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.354 -4.285 -2.121 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.806 -0.433 -0.491 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.941 -1.649 0.802 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.826 -1.917 -0.559 1.00 0.00 H new ATOM 564 N ALA A 38 -6.845 -2.870 -1.972 1.00 0.00 N ATOM 565 CA ALA A 38 -8.149 -2.258 -1.779 1.00 0.00 C ATOM 566 C ALA A 38 -9.179 -3.348 -1.477 1.00 0.00 C ATOM 567 O ALA A 38 -10.148 -3.109 -0.758 1.00 0.00 O ATOM 568 CB ALA A 38 -8.515 -1.435 -3.015 1.00 0.00 C ATOM 0 H ALA A 38 -6.298 -2.475 -2.737 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.131 -1.577 -0.928 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.493 -0.976 -2.870 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.768 -0.656 -3.168 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.545 -2.085 -3.889 1.00 0.00 H new ATOM 574 N ALA A 39 -8.935 -4.521 -2.042 1.00 0.00 N ATOM 575 CA ALA A 39 -9.829 -5.648 -1.842 1.00 0.00 C ATOM 576 C ALA A 39 -9.755 -6.101 -0.383 1.00 0.00 C ATOM 577 O ALA A 39 -10.775 -6.172 0.301 1.00 0.00 O ATOM 578 CB ALA A 39 -9.465 -6.769 -2.819 1.00 0.00 C ATOM 0 H ALA A 39 -8.131 -4.715 -2.638 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.860 -5.359 -2.046 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.136 -7.615 -2.669 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.562 -6.406 -3.842 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.437 -7.086 -2.643 1.00 0.00 H new ATOM 584 N SER A 40 -8.539 -6.394 0.052 1.00 0.00 N ATOM 585 CA SER A 40 -8.319 -6.838 1.418 1.00 0.00 C ATOM 586 C SER A 40 -8.636 -5.703 2.394 1.00 0.00 C ATOM 587 O SER A 40 -9.550 -5.818 3.208 1.00 0.00 O ATOM 588 CB SER A 40 -6.880 -7.321 1.615 1.00 0.00 C ATOM 589 OG SER A 40 -6.827 -8.585 2.271 1.00 0.00 O ATOM 0 H SER A 40 -7.695 -6.333 -0.518 1.00 0.00 H new ATOM 0 HA SER A 40 -8.986 -7.677 1.617 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.386 -7.394 0.646 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.327 -6.586 2.200 1.00 0.00 H new ATOM 0 HG SER A 40 -5.892 -8.860 2.377 1.00 0.00 H new ATOM 595 N VAL A 41 -7.862 -4.633 2.279 1.00 0.00 N ATOM 596 CA VAL A 41 -8.050 -3.479 3.141 1.00 0.00 C ATOM 597 C VAL A 41 -9.505 -3.014 3.055 1.00 0.00 C ATOM 598 O VAL A 41 -10.035 -2.442 4.007 1.00 0.00 O ATOM 599 CB VAL A 41 -7.049 -2.382 2.772 1.00 0.00 C ATOM 600 CG1 VAL A 41 -5.610 -2.874 2.939 1.00 0.00 C ATOM 601 CG2 VAL A 41 -7.293 -1.873 1.350 1.00 0.00 C ATOM 0 H VAL A 41 -7.104 -4.542 1.602 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.855 -3.743 4.180 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.199 -1.547 3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.919 -2.075 2.670 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.443 -3.165 3.976 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.442 -3.733 2.290 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.568 -1.094 1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.184 -2.697 0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.301 -1.465 1.278 1.00 0.00 H new ATOM 611 N SER A 42 -10.110 -3.277 1.906 1.00 0.00 N ATOM 612 CA SER A 42 -11.493 -2.892 1.683 1.00 0.00 C ATOM 613 C SER A 42 -11.599 -1.372 1.550 1.00 0.00 C ATOM 614 O SER A 42 -12.642 -0.791 1.844 1.00 0.00 O ATOM 615 CB SER A 42 -12.392 -3.390 2.817 1.00 0.00 C ATOM 616 OG SER A 42 -13.386 -4.298 2.350 1.00 0.00 O ATOM 0 H SER A 42 -9.668 -3.752 1.119 1.00 0.00 H new ATOM 0 HA SER A 42 -11.832 -3.355 0.756 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.781 -3.880 3.576 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.875 -2.539 3.297 1.00 0.00 H new ATOM 0 HG SER A 42 -13.938 -4.594 3.103 1.00 0.00 H new ATOM 622 N ILE A 43 -10.504 -0.771 1.108 1.00 0.00 N ATOM 623 CA ILE A 43 -10.461 0.671 0.933 1.00 0.00 C ATOM 624 C ILE A 43 -10.061 0.993 -0.508 1.00 0.00 C ATOM 625 O ILE A 43 -9.205 0.323 -1.084 1.00 0.00 O ATOM 626 CB ILE A 43 -9.549 1.311 1.982 1.00 0.00 C ATOM 627 CG1 ILE A 43 -9.986 0.924 3.397 1.00 0.00 C ATOM 628 CG2 ILE A 43 -9.482 2.828 1.797 1.00 0.00 C ATOM 629 CD1 ILE A 43 -8.836 1.097 4.391 1.00 0.00 C ATOM 0 H ILE A 43 -9.640 -1.256 0.866 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.448 1.104 1.095 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.540 0.925 1.840 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.831 1.541 3.702 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.327 -0.111 3.406 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.828 3.258 2.555 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.089 3.057 0.806 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -10.481 3.251 1.898 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.172 0.816 5.389 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.002 0.461 4.096 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.514 2.138 4.397 1.00 0.00 H new ATOM 641 N PRO A 44 -10.715 2.048 -1.064 1.00 0.00 N ATOM 642 CA PRO A 44 -10.437 2.467 -2.427 1.00 0.00 C ATOM 643 C PRO A 44 -9.101 3.209 -2.510 1.00 0.00 C ATOM 644 O PRO A 44 -8.741 3.951 -1.598 1.00 0.00 O ATOM 645 CB PRO A 44 -11.622 3.333 -2.823 1.00 0.00 C ATOM 646 CG PRO A 44 -12.289 3.746 -1.521 1.00 0.00 C ATOM 647 CD PRO A 44 -11.735 2.865 -0.413 1.00 0.00 C ATOM 0 HA PRO A 44 -10.329 1.626 -3.112 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.296 4.206 -3.389 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.314 2.781 -3.459 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.092 4.797 -1.308 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.371 3.633 -1.594 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.309 3.463 0.393 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -12.516 2.246 0.028 1.00 0.00 H new ATOM 655 N SER A 45 -8.403 2.982 -3.613 1.00 0.00 N ATOM 656 CA SER A 45 -7.115 3.620 -3.828 1.00 0.00 C ATOM 657 C SER A 45 -7.245 5.134 -3.653 1.00 0.00 C ATOM 658 O SER A 45 -6.401 5.764 -3.016 1.00 0.00 O ATOM 659 CB SER A 45 -6.562 3.291 -5.216 1.00 0.00 C ATOM 660 OG SER A 45 -7.166 4.086 -6.233 1.00 0.00 O ATOM 0 H SER A 45 -8.705 2.365 -4.367 1.00 0.00 H new ATOM 0 HA SER A 45 -6.415 3.234 -3.087 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.484 3.450 -5.224 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.730 2.236 -5.433 1.00 0.00 H new ATOM 0 HG SER A 45 -6.785 3.847 -7.104 1.00 0.00 H new ATOM 666 N GLU A 46 -8.308 5.675 -4.229 1.00 0.00 N ATOM 667 CA GLU A 46 -8.559 7.104 -4.145 1.00 0.00 C ATOM 668 C GLU A 46 -8.688 7.535 -2.682 1.00 0.00 C ATOM 669 O GLU A 46 -8.616 8.723 -2.373 1.00 0.00 O ATOM 670 CB GLU A 46 -9.807 7.489 -4.942 1.00 0.00 C ATOM 671 CG GLU A 46 -11.012 6.651 -4.512 1.00 0.00 C ATOM 672 CD GLU A 46 -12.309 7.217 -5.095 1.00 0.00 C ATOM 673 OE1 GLU A 46 -12.904 8.084 -4.419 1.00 0.00 O ATOM 674 OE2 GLU A 46 -12.676 6.770 -6.203 1.00 0.00 O ATOM 0 H GLU A 46 -9.006 5.150 -4.756 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.711 7.629 -4.585 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.024 8.547 -4.795 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.621 7.346 -6.007 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.880 5.621 -4.842 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.076 6.631 -3.424 1.00 0.00 H new ATOM 681 N LYS A 47 -8.876 6.545 -1.821 1.00 0.00 N ATOM 682 CA LYS A 47 -9.016 6.807 -0.399 1.00 0.00 C ATOM 683 C LYS A 47 -7.737 6.376 0.322 1.00 0.00 C ATOM 684 O LYS A 47 -7.440 6.865 1.412 1.00 0.00 O ATOM 685 CB LYS A 47 -10.282 6.144 0.146 1.00 0.00 C ATOM 686 CG LYS A 47 -11.518 6.996 -0.151 1.00 0.00 C ATOM 687 CD LYS A 47 -12.742 6.467 0.601 1.00 0.00 C ATOM 688 CE LYS A 47 -13.150 7.421 1.725 1.00 0.00 C ATOM 689 NZ LYS A 47 -14.604 7.325 1.984 1.00 0.00 N ATOM 0 H LYS A 47 -8.935 5.560 -2.081 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.141 7.875 -0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.401 5.157 -0.300 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.186 5.998 1.222 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.329 8.030 0.137 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.716 6.994 -1.223 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.573 6.341 -0.093 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.521 5.484 1.016 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.596 7.181 2.633 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.890 8.444 1.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.864 7.979 2.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.128 7.576 1.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.843 6.352 2.263 1.00 0.00 H new ATOM 703 N GLN A 48 -7.014 5.467 -0.314 1.00 0.00 N ATOM 704 CA GLN A 48 -5.774 4.965 0.253 1.00 0.00 C ATOM 705 C GLN A 48 -4.636 5.956 0.003 1.00 0.00 C ATOM 706 O GLN A 48 -4.724 6.794 -0.894 1.00 0.00 O ATOM 707 CB GLN A 48 -5.433 3.584 -0.311 1.00 0.00 C ATOM 708 CG GLN A 48 -6.438 2.533 0.165 1.00 0.00 C ATOM 709 CD GLN A 48 -5.962 1.122 -0.183 1.00 0.00 C ATOM 710 OE1 GLN A 48 -5.050 0.580 0.420 1.00 0.00 O ATOM 711 NE2 GLN A 48 -6.627 0.559 -1.188 1.00 0.00 N ATOM 0 H GLN A 48 -7.263 5.064 -1.217 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.906 4.859 1.330 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.431 3.623 -1.400 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.428 3.298 0.000 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.576 2.619 1.243 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.408 2.717 -0.296 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.380 1.068 -1.650 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.384 -0.382 -1.497 1.00 0.00 H new ATOM 720 N ARG A 49 -3.595 5.829 0.811 1.00 0.00 N ATOM 721 CA ARG A 49 -2.441 6.704 0.689 1.00 0.00 C ATOM 722 C ARG A 49 -1.208 6.046 1.312 1.00 0.00 C ATOM 723 O ARG A 49 -0.892 6.289 2.476 1.00 0.00 O ATOM 724 CB ARG A 49 -2.694 8.049 1.373 1.00 0.00 C ATOM 725 CG ARG A 49 -1.513 9.000 1.166 1.00 0.00 C ATOM 726 CD ARG A 49 -1.714 10.301 1.946 1.00 0.00 C ATOM 727 NE ARG A 49 -0.402 10.867 2.331 1.00 0.00 N ATOM 728 CZ ARG A 49 -0.229 12.112 2.796 1.00 0.00 C ATOM 729 NH1 ARG A 49 -1.283 12.927 2.937 1.00 0.00 N ATOM 730 NH2 ARG A 49 0.998 12.542 3.120 1.00 0.00 N ATOM 0 H ARG A 49 -3.526 5.133 1.554 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.267 6.877 -0.373 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.603 8.499 0.973 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.858 7.894 2.439 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.591 8.517 1.489 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.401 9.222 0.105 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.265 11.018 1.337 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.313 10.112 2.837 1.00 0.00 H new ATOM 0 HE ARG A 49 0.422 10.273 2.237 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.217 12.600 2.690 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.151 13.875 3.291 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.801 11.922 3.013 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.129 13.490 3.474 1.00 0.00 H new ATOM 744 N LEU A 50 -0.544 5.227 0.509 1.00 0.00 N ATOM 745 CA LEU A 50 0.647 4.533 0.967 1.00 0.00 C ATOM 746 C LEU A 50 1.733 5.558 1.301 1.00 0.00 C ATOM 747 O LEU A 50 2.090 6.385 0.463 1.00 0.00 O ATOM 748 CB LEU A 50 1.085 3.486 -0.059 1.00 0.00 C ATOM 749 CG LEU A 50 0.006 2.501 -0.515 1.00 0.00 C ATOM 750 CD1 LEU A 50 0.562 1.518 -1.547 1.00 0.00 C ATOM 751 CD2 LEU A 50 -0.622 1.783 0.682 1.00 0.00 C ATOM 0 H LEU A 50 -0.809 5.029 -0.456 1.00 0.00 H new ATOM 0 HA LEU A 50 0.437 3.980 1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.469 4.005 -0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.913 2.917 0.363 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.788 3.066 -1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.225 0.829 -1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.923 2.068 -2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.385 0.955 -1.107 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.385 1.089 0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.149 1.232 1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.077 2.516 1.348 1.00 0.00 H new ATOM 763 N ILE A 51 2.227 5.471 2.527 1.00 0.00 N ATOM 764 CA ILE A 51 3.265 6.380 2.982 1.00 0.00 C ATOM 765 C ILE A 51 4.415 5.573 3.589 1.00 0.00 C ATOM 766 O ILE A 51 4.199 4.754 4.481 1.00 0.00 O ATOM 767 CB ILE A 51 2.681 7.428 3.932 1.00 0.00 C ATOM 768 CG1 ILE A 51 1.481 8.135 3.297 1.00 0.00 C ATOM 769 CG2 ILE A 51 3.755 8.418 4.384 1.00 0.00 C ATOM 770 CD1 ILE A 51 0.430 8.486 4.352 1.00 0.00 C ATOM 0 H ILE A 51 1.928 4.785 3.220 1.00 0.00 H new ATOM 0 HA ILE A 51 3.676 6.939 2.141 1.00 0.00 H new ATOM 0 HB ILE A 51 2.319 6.916 4.824 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.814 9.043 2.794 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.037 7.493 2.536 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.313 9.152 5.058 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.550 7.881 4.902 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.169 8.928 3.514 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.412 8.987 3.874 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.082 7.574 4.836 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.870 9.147 5.098 1.00 0.00 H new ATOM 782 N TYR A 52 5.610 5.833 3.081 1.00 0.00 N ATOM 783 CA TYR A 52 6.794 5.141 3.562 1.00 0.00 C ATOM 784 C TYR A 52 7.755 6.112 4.250 1.00 0.00 C ATOM 785 O TYR A 52 8.211 7.078 3.639 1.00 0.00 O ATOM 786 CB TYR A 52 7.476 4.560 2.322 1.00 0.00 C ATOM 787 CG TYR A 52 8.822 3.891 2.607 1.00 0.00 C ATOM 788 CD1 TYR A 52 8.870 2.554 2.944 1.00 0.00 C ATOM 789 CD2 TYR A 52 9.988 4.626 2.528 1.00 0.00 C ATOM 790 CE1 TYR A 52 10.137 1.924 3.213 1.00 0.00 C ATOM 791 CE2 TYR A 52 11.255 3.996 2.797 1.00 0.00 C ATOM 792 CZ TYR A 52 11.267 2.677 3.126 1.00 0.00 C ATOM 793 OH TYR A 52 12.464 2.082 3.380 1.00 0.00 O ATOM 0 H TYR A 52 5.784 6.513 2.341 1.00 0.00 H new ATOM 0 HA TYR A 52 6.522 4.374 4.287 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.810 3.830 1.862 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.625 5.358 1.595 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.957 1.980 3.006 1.00 0.00 H new ATOM 0 HD2 TYR A 52 9.950 5.673 2.265 1.00 0.00 H new ATOM 0 HE1 TYR A 52 10.189 0.878 3.478 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.175 4.559 2.739 1.00 0.00 H new ATOM 0 HH TYR A 52 13.184 2.739 3.279 1.00 0.00 H new ATOM 803 N GLN A 53 8.036 5.823 5.512 1.00 0.00 N ATOM 804 CA GLN A 53 8.935 6.659 6.290 1.00 0.00 C ATOM 805 C GLN A 53 8.285 8.014 6.575 1.00 0.00 C ATOM 806 O GLN A 53 8.030 8.354 7.729 1.00 0.00 O ATOM 807 CB GLN A 53 10.277 6.833 5.576 1.00 0.00 C ATOM 808 CG GLN A 53 11.361 5.973 6.229 1.00 0.00 C ATOM 809 CD GLN A 53 11.555 6.358 7.697 1.00 0.00 C ATOM 810 OE1 GLN A 53 11.986 7.450 8.028 1.00 0.00 O ATOM 811 NE2 GLN A 53 11.213 5.402 8.556 1.00 0.00 N ATOM 0 H GLN A 53 7.657 5.021 6.016 1.00 0.00 H new ATOM 0 HA GLN A 53 9.129 6.164 7.241 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.173 6.558 4.526 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.574 7.881 5.603 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.087 4.920 6.158 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.301 6.095 5.690 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.859 4.510 8.211 1.00 0.00 H new ATOM 0 HE22 GLN A 53 11.305 5.561 9.559 1.00 0.00 H new ATOM 820 N GLY A 54 8.037 8.753 5.503 1.00 0.00 N ATOM 821 CA GLY A 54 7.422 10.064 5.624 1.00 0.00 C ATOM 822 C GLY A 54 7.197 10.693 4.248 1.00 0.00 C ATOM 823 O GLY A 54 7.302 11.909 4.092 1.00 0.00 O ATOM 0 H GLY A 54 8.251 8.469 4.547 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.470 9.976 6.148 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.058 10.714 6.225 1.00 0.00 H new ATOM 827 N ARG A 55 6.893 9.836 3.284 1.00 0.00 N ATOM 828 CA ARG A 55 6.652 10.293 1.925 1.00 0.00 C ATOM 829 C ARG A 55 5.452 9.560 1.324 1.00 0.00 C ATOM 830 O ARG A 55 5.363 8.335 1.404 1.00 0.00 O ATOM 831 CB ARG A 55 7.879 10.061 1.041 1.00 0.00 C ATOM 832 CG ARG A 55 8.148 8.566 0.858 1.00 0.00 C ATOM 833 CD ARG A 55 9.648 8.290 0.734 1.00 0.00 C ATOM 834 NE ARG A 55 9.960 7.794 -0.625 1.00 0.00 N ATOM 835 CZ ARG A 55 11.202 7.555 -1.070 1.00 0.00 C ATOM 836 NH1 ARG A 55 12.253 7.764 -0.266 1.00 0.00 N ATOM 837 NH2 ARG A 55 11.391 7.106 -2.318 1.00 0.00 N ATOM 0 H ARG A 55 6.808 8.828 3.417 1.00 0.00 H new ATOM 0 HA ARG A 55 6.445 11.362 1.966 1.00 0.00 H new ATOM 0 HB2 ARG A 55 7.724 10.528 0.068 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.750 10.539 1.489 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.742 8.013 1.705 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.634 8.207 -0.033 1.00 0.00 H new ATOM 0 HD2 ARG A 55 10.212 9.201 0.936 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.954 7.554 1.478 1.00 0.00 H new ATOM 0 HE ARG A 55 9.182 7.623 -1.262 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.108 8.105 0.684 1.00 0.00 H new ATOM 0 HH12 ARG A 55 13.198 7.582 -0.604 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.590 6.946 -2.929 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.336 6.924 -2.657 1.00 0.00 H new ATOM 851 N VAL A 56 4.557 10.339 0.733 1.00 0.00 N ATOM 852 CA VAL A 56 3.366 9.779 0.118 1.00 0.00 C ATOM 853 C VAL A 56 3.745 9.122 -1.211 1.00 0.00 C ATOM 854 O VAL A 56 4.055 9.811 -2.181 1.00 0.00 O ATOM 855 CB VAL A 56 2.297 10.863 -0.033 1.00 0.00 C ATOM 856 CG1 VAL A 56 2.736 11.929 -1.039 1.00 0.00 C ATOM 857 CG2 VAL A 56 0.951 10.253 -0.433 1.00 0.00 C ATOM 0 H VAL A 56 4.633 11.354 0.667 1.00 0.00 H new ATOM 0 HA VAL A 56 2.936 9.004 0.752 1.00 0.00 H new ATOM 0 HB VAL A 56 2.171 11.347 0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.958 12.688 -1.128 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.660 12.395 -0.696 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.903 11.465 -2.011 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.208 11.045 -0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.056 9.731 -1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.629 9.549 0.334 1.00 0.00 H new ATOM 867 N LEU A 57 3.706 7.798 -1.212 1.00 0.00 N ATOM 868 CA LEU A 57 4.041 7.040 -2.406 1.00 0.00 C ATOM 869 C LEU A 57 3.152 7.501 -3.563 1.00 0.00 C ATOM 870 O LEU A 57 1.927 7.480 -3.456 1.00 0.00 O ATOM 871 CB LEU A 57 3.958 5.538 -2.128 1.00 0.00 C ATOM 872 CG LEU A 57 4.763 5.033 -0.929 1.00 0.00 C ATOM 873 CD1 LEU A 57 4.141 3.762 -0.347 1.00 0.00 C ATOM 874 CD2 LEU A 57 6.234 4.833 -1.300 1.00 0.00 C ATOM 0 H LEU A 57 3.448 7.230 -0.405 1.00 0.00 H new ATOM 0 HA LEU A 57 5.073 7.230 -2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.912 5.274 -1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.295 5.005 -3.017 1.00 0.00 H new ATOM 0 HG LEU A 57 4.728 5.795 -0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.733 3.424 0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.123 3.972 -0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.124 2.983 -1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.783 4.474 -0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.310 4.101 -2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.658 5.781 -1.631 1.00 0.00 H new ATOM 886 N GLN A 58 3.804 7.907 -4.643 1.00 0.00 N ATOM 887 CA GLN A 58 3.088 8.372 -5.818 1.00 0.00 C ATOM 888 C GLN A 58 2.368 7.205 -6.498 1.00 0.00 C ATOM 889 O GLN A 58 2.889 6.092 -6.543 1.00 0.00 O ATOM 890 CB GLN A 58 4.034 9.075 -6.794 1.00 0.00 C ATOM 891 CG GLN A 58 3.998 10.592 -6.595 1.00 0.00 C ATOM 892 CD GLN A 58 4.197 10.957 -5.123 1.00 0.00 C ATOM 893 OE1 GLN A 58 3.272 10.962 -4.327 1.00 0.00 O ATOM 894 NE2 GLN A 58 5.452 11.261 -4.806 1.00 0.00 N ATOM 0 H GLN A 58 4.820 7.923 -4.728 1.00 0.00 H new ATOM 0 HA GLN A 58 2.341 9.099 -5.500 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.050 8.709 -6.648 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.752 8.832 -7.818 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.776 11.060 -7.198 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.044 10.986 -6.945 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.179 11.237 -5.521 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.688 11.518 -3.848 1.00 0.00 H new ATOM 903 N ASP A 59 1.182 7.500 -7.010 1.00 0.00 N ATOM 904 CA ASP A 59 0.386 6.490 -7.685 1.00 0.00 C ATOM 905 C ASP A 59 1.133 6.006 -8.930 1.00 0.00 C ATOM 906 O ASP A 59 1.378 4.811 -9.085 1.00 0.00 O ATOM 907 CB ASP A 59 -0.961 7.059 -8.133 1.00 0.00 C ATOM 908 CG ASP A 59 -0.929 8.521 -8.582 1.00 0.00 C ATOM 909 OD1 ASP A 59 0.158 8.956 -9.021 1.00 0.00 O ATOM 910 OD2 ASP A 59 -1.991 9.171 -8.477 1.00 0.00 O ATOM 0 H ASP A 59 0.753 8.425 -6.971 1.00 0.00 H new ATOM 0 HA ASP A 59 0.217 5.671 -6.986 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.340 6.451 -8.954 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.670 6.963 -7.311 1.00 0.00 H new ATOM 915 N ASP A 60 1.473 6.959 -9.784 1.00 0.00 N ATOM 916 CA ASP A 60 2.186 6.645 -11.010 1.00 0.00 C ATOM 917 C ASP A 60 3.412 5.793 -10.678 1.00 0.00 C ATOM 918 O ASP A 60 3.734 4.852 -11.403 1.00 0.00 O ATOM 919 CB ASP A 60 2.671 7.918 -11.707 1.00 0.00 C ATOM 920 CG ASP A 60 2.349 8.001 -13.201 1.00 0.00 C ATOM 921 OD1 ASP A 60 1.660 7.077 -13.684 1.00 0.00 O ATOM 922 OD2 ASP A 60 2.799 8.986 -13.825 1.00 0.00 O ATOM 0 H ASP A 60 1.268 7.949 -9.651 1.00 0.00 H new ATOM 0 HA ASP A 60 1.502 6.110 -11.669 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.228 8.779 -11.207 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.751 7.996 -11.579 1.00 0.00 H new ATOM 927 N LYS A 61 4.063 6.151 -9.581 1.00 0.00 N ATOM 928 CA LYS A 61 5.247 5.431 -9.144 1.00 0.00 C ATOM 929 C LYS A 61 4.887 3.962 -8.910 1.00 0.00 C ATOM 930 O LYS A 61 3.710 3.608 -8.859 1.00 0.00 O ATOM 931 CB LYS A 61 5.869 6.113 -7.924 1.00 0.00 C ATOM 932 CG LYS A 61 7.024 7.027 -8.337 1.00 0.00 C ATOM 933 CD LYS A 61 8.375 6.357 -8.075 1.00 0.00 C ATOM 934 CE LYS A 61 9.429 7.389 -7.670 1.00 0.00 C ATOM 935 NZ LYS A 61 9.156 7.902 -6.309 1.00 0.00 N ATOM 0 H LYS A 61 3.793 6.931 -8.981 1.00 0.00 H new ATOM 0 HA LYS A 61 6.014 5.453 -9.918 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.110 6.694 -7.401 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.230 5.358 -7.225 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.936 7.275 -9.395 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.966 7.965 -7.784 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.269 5.612 -7.287 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.703 5.829 -8.970 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.420 6.937 -7.703 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.431 8.214 -8.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.050 7.991 -5.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.699 8.834 -6.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.526 7.242 -5.809 1.00 0.00 H new ATOM 949 N LYS A 62 5.923 3.147 -8.774 1.00 0.00 N ATOM 950 CA LYS A 62 5.731 1.724 -8.547 1.00 0.00 C ATOM 951 C LYS A 62 6.377 1.333 -7.217 1.00 0.00 C ATOM 952 O LYS A 62 7.277 2.019 -6.734 1.00 0.00 O ATOM 953 CB LYS A 62 6.243 0.917 -9.742 1.00 0.00 C ATOM 954 CG LYS A 62 5.853 1.584 -11.062 1.00 0.00 C ATOM 955 CD LYS A 62 6.563 0.919 -12.243 1.00 0.00 C ATOM 956 CE LYS A 62 5.605 0.723 -13.420 1.00 0.00 C ATOM 957 NZ LYS A 62 6.358 0.424 -14.658 1.00 0.00 N ATOM 0 H LYS A 62 6.898 3.445 -8.817 1.00 0.00 H new ATOM 0 HA LYS A 62 4.669 1.490 -8.466 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.327 0.823 -9.684 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.834 -0.093 -9.706 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.774 1.522 -11.200 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.109 2.643 -11.028 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.408 1.532 -12.556 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.966 -0.045 -11.933 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.914 -0.091 -13.202 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.004 1.622 -13.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.692 0.294 -15.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.000 1.214 -14.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.912 -0.446 -14.526 1.00 0.00 H new ATOM 971 N LEU A 63 5.894 0.231 -6.663 1.00 0.00 N ATOM 972 CA LEU A 63 6.414 -0.261 -5.398 1.00 0.00 C ATOM 973 C LEU A 63 7.923 -0.481 -5.523 1.00 0.00 C ATOM 974 O LEU A 63 8.704 0.116 -4.784 1.00 0.00 O ATOM 975 CB LEU A 63 5.646 -1.506 -4.950 1.00 0.00 C ATOM 976 CG LEU A 63 4.154 -1.532 -5.291 1.00 0.00 C ATOM 977 CD1 LEU A 63 3.566 -0.119 -5.288 1.00 0.00 C ATOM 978 CD2 LEU A 63 3.907 -2.253 -6.617 1.00 0.00 C ATOM 0 H LEU A 63 5.148 -0.336 -7.067 1.00 0.00 H new ATOM 0 HA LEU A 63 6.263 0.478 -4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.117 -2.380 -5.400 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.754 -1.606 -3.870 1.00 0.00 H new ATOM 0 HG LEU A 63 3.636 -2.098 -4.516 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.505 -0.166 -5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.691 0.325 -4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.083 0.492 -6.028 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.839 -2.257 -6.835 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.439 -1.737 -7.416 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.267 -3.279 -6.546 1.00 0.00 H new ATOM 990 N GLN A 64 8.287 -1.341 -6.463 1.00 0.00 N ATOM 991 CA GLN A 64 9.689 -1.647 -6.694 1.00 0.00 C ATOM 992 C GLN A 64 10.526 -0.367 -6.656 1.00 0.00 C ATOM 993 O GLN A 64 11.495 -0.277 -5.905 1.00 0.00 O ATOM 994 CB GLN A 64 9.877 -2.386 -8.021 1.00 0.00 C ATOM 995 CG GLN A 64 11.300 -2.933 -8.147 1.00 0.00 C ATOM 996 CD GLN A 64 11.595 -3.369 -9.583 1.00 0.00 C ATOM 997 OE1 GLN A 64 11.024 -2.871 -10.540 1.00 0.00 O ATOM 998 NE2 GLN A 64 12.515 -4.325 -9.681 1.00 0.00 N ATOM 0 H GLN A 64 7.636 -1.835 -7.073 1.00 0.00 H new ATOM 0 HA GLN A 64 10.033 -2.306 -5.897 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.161 -3.205 -8.090 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.669 -1.710 -8.850 1.00 0.00 H new ATOM 0 HG2 GLN A 64 12.015 -2.170 -7.841 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.429 -3.779 -7.472 1.00 0.00 H new ATOM 0 HE21 GLN A 64 12.954 -4.698 -8.839 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.781 -4.685 -10.598 1.00 0.00 H new ATOM 1007 N GLU A 65 10.120 0.592 -7.476 1.00 0.00 N ATOM 1008 CA GLU A 65 10.820 1.863 -7.545 1.00 0.00 C ATOM 1009 C GLU A 65 11.241 2.314 -6.145 1.00 0.00 C ATOM 1010 O GLU A 65 12.400 2.664 -5.924 1.00 0.00 O ATOM 1011 CB GLU A 65 9.959 2.927 -8.228 1.00 0.00 C ATOM 1012 CG GLU A 65 10.472 3.224 -9.639 1.00 0.00 C ATOM 1013 CD GLU A 65 9.344 3.743 -10.534 1.00 0.00 C ATOM 1014 OE1 GLU A 65 8.369 2.982 -10.717 1.00 0.00 O ATOM 1015 OE2 GLU A 65 9.482 4.888 -11.015 1.00 0.00 O ATOM 0 H GLU A 65 9.315 0.514 -8.098 1.00 0.00 H new ATOM 0 HA GLU A 65 11.718 1.728 -8.147 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.925 2.586 -8.277 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.966 3.841 -7.635 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.272 3.963 -9.591 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.899 2.320 -10.073 1.00 0.00 H new ATOM 1022 N TYR A 66 10.277 2.292 -5.236 1.00 0.00 N ATOM 1023 CA TYR A 66 10.534 2.694 -3.864 1.00 0.00 C ATOM 1024 C TYR A 66 11.381 1.649 -3.135 1.00 0.00 C ATOM 1025 O TYR A 66 12.178 1.990 -2.263 1.00 0.00 O ATOM 1026 CB TYR A 66 9.164 2.784 -3.188 1.00 0.00 C ATOM 1027 CG TYR A 66 8.379 4.050 -3.539 1.00 0.00 C ATOM 1028 CD1 TYR A 66 8.780 5.272 -3.037 1.00 0.00 C ATOM 1029 CD2 TYR A 66 7.271 3.970 -4.357 1.00 0.00 C ATOM 1030 CE1 TYR A 66 8.041 6.463 -3.368 1.00 0.00 C ATOM 1031 CE2 TYR A 66 6.532 5.161 -4.688 1.00 0.00 C ATOM 1032 CZ TYR A 66 6.954 6.349 -4.177 1.00 0.00 C ATOM 1033 OH TYR A 66 6.256 7.474 -4.489 1.00 0.00 O ATOM 0 H TYR A 66 9.317 2.002 -5.423 1.00 0.00 H new ATOM 0 HA TYR A 66 11.078 3.638 -3.836 1.00 0.00 H new ATOM 0 HB2 TYR A 66 8.573 1.913 -3.470 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.300 2.741 -2.107 1.00 0.00 H new ATOM 0 HD1 TYR A 66 9.647 5.335 -2.396 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.958 3.014 -4.749 1.00 0.00 H new ATOM 0 HE1 TYR A 66 8.343 7.425 -2.982 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.663 5.112 -5.327 1.00 0.00 H new ATOM 0 HH TYR A 66 6.875 8.167 -4.802 1.00 0.00 H new ATOM 1043 N ASN A 67 11.179 0.397 -3.519 1.00 0.00 N ATOM 1044 CA ASN A 67 11.914 -0.699 -2.913 1.00 0.00 C ATOM 1045 C ASN A 67 11.251 -1.081 -1.588 1.00 0.00 C ATOM 1046 O ASN A 67 11.928 -1.229 -0.571 1.00 0.00 O ATOM 1047 CB ASN A 67 13.361 -0.297 -2.620 1.00 0.00 C ATOM 1048 CG ASN A 67 14.277 -1.523 -2.598 1.00 0.00 C ATOM 1049 OD1 ASN A 67 14.523 -2.164 -3.607 1.00 0.00 O ATOM 1050 ND2 ASN A 67 14.766 -1.811 -1.396 1.00 0.00 N ATOM 0 H ASN A 67 10.517 0.118 -4.243 1.00 0.00 H new ATOM 0 HA ASN A 67 11.907 -1.536 -3.611 1.00 0.00 H new ATOM 0 HB2 ASN A 67 13.707 0.407 -3.377 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.412 0.217 -1.660 1.00 0.00 H new ATOM 0 HD21 ASN A 67 15.388 -2.611 -1.277 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.519 -1.232 -0.593 1.00 0.00 H new ATOM 1057 N VAL A 68 9.936 -1.229 -1.642 1.00 0.00 N ATOM 1058 CA VAL A 68 9.175 -1.591 -0.458 1.00 0.00 C ATOM 1059 C VAL A 68 9.069 -3.115 -0.371 1.00 0.00 C ATOM 1060 O VAL A 68 8.214 -3.641 0.340 1.00 0.00 O ATOM 1061 CB VAL A 68 7.811 -0.897 -0.481 1.00 0.00 C ATOM 1062 CG1 VAL A 68 7.966 0.611 -0.689 1.00 0.00 C ATOM 1063 CG2 VAL A 68 6.903 -1.508 -1.550 1.00 0.00 C ATOM 0 H VAL A 68 9.378 -1.105 -2.487 1.00 0.00 H new ATOM 0 HA VAL A 68 9.684 -1.249 0.443 1.00 0.00 H new ATOM 0 HB VAL A 68 7.339 -1.054 0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.982 1.080 -0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.558 1.031 0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.469 0.798 -1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.940 -0.997 -1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.368 -1.397 -2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.753 -2.567 -1.338 1.00 0.00 H new ATOM 1073 N GLY A 69 9.949 -3.780 -1.104 1.00 0.00 N ATOM 1074 CA GLY A 69 9.966 -5.233 -1.118 1.00 0.00 C ATOM 1075 C GLY A 69 10.243 -5.792 0.279 1.00 0.00 C ATOM 1076 O GLY A 69 11.329 -5.598 0.825 1.00 0.00 O ATOM 0 H GLY A 69 10.656 -3.340 -1.693 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.009 -5.608 -1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.729 -5.585 -1.812 1.00 0.00 H new ATOM 1080 N GLY A 70 9.244 -6.474 0.818 1.00 0.00 N ATOM 1081 CA GLY A 70 9.367 -7.063 2.141 1.00 0.00 C ATOM 1082 C GLY A 70 9.413 -5.980 3.220 1.00 0.00 C ATOM 1083 O GLY A 70 9.631 -6.277 4.394 1.00 0.00 O ATOM 0 H GLY A 70 8.345 -6.632 0.363 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.525 -7.730 2.326 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.271 -7.670 2.190 1.00 0.00 H new ATOM 1087 N LYS A 71 9.205 -4.746 2.785 1.00 0.00 N ATOM 1088 CA LYS A 71 9.220 -3.617 3.700 1.00 0.00 C ATOM 1089 C LYS A 71 7.813 -3.401 4.261 1.00 0.00 C ATOM 1090 O LYS A 71 6.846 -3.966 3.753 1.00 0.00 O ATOM 1091 CB LYS A 71 9.806 -2.380 3.015 1.00 0.00 C ATOM 1092 CG LYS A 71 11.273 -2.603 2.642 1.00 0.00 C ATOM 1093 CD LYS A 71 12.190 -2.317 3.832 1.00 0.00 C ATOM 1094 CE LYS A 71 13.655 -2.568 3.468 1.00 0.00 C ATOM 1095 NZ LYS A 71 14.550 -1.780 4.345 1.00 0.00 N ATOM 0 H LYS A 71 9.025 -4.503 1.811 1.00 0.00 H new ATOM 0 HA LYS A 71 9.873 -3.823 4.548 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.230 -2.149 2.119 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.722 -1.519 3.678 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.415 -3.631 2.308 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.542 -1.956 1.807 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.063 -1.283 4.153 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.907 -2.949 4.674 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.883 -3.629 3.565 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.828 -2.299 2.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.540 -1.962 4.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.343 -0.767 4.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.396 -2.056 5.336 1.00 0.00 H new ATOM 1109 N VAL A 72 7.744 -2.582 5.300 1.00 0.00 N ATOM 1110 CA VAL A 72 6.472 -2.285 5.935 1.00 0.00 C ATOM 1111 C VAL A 72 6.059 -0.852 5.594 1.00 0.00 C ATOM 1112 O VAL A 72 6.715 0.102 6.007 1.00 0.00 O ATOM 1113 CB VAL A 72 6.567 -2.537 7.441 1.00 0.00 C ATOM 1114 CG1 VAL A 72 5.392 -1.894 8.180 1.00 0.00 C ATOM 1115 CG2 VAL A 72 6.652 -4.035 7.742 1.00 0.00 C ATOM 0 H VAL A 72 8.549 -2.115 5.718 1.00 0.00 H new ATOM 0 HA VAL A 72 5.693 -2.947 5.557 1.00 0.00 H new ATOM 0 HB VAL A 72 7.484 -2.071 7.802 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.484 -2.088 9.249 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.397 -0.818 8.005 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.457 -2.317 7.814 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.719 -4.186 8.819 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.761 -4.534 7.360 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.537 -4.453 7.261 1.00 0.00 H new ATOM 1125 N ILE A 73 4.973 -0.746 4.842 1.00 0.00 N ATOM 1126 CA ILE A 73 4.465 0.555 4.440 1.00 0.00 C ATOM 1127 C ILE A 73 3.433 1.032 5.464 1.00 0.00 C ATOM 1128 O ILE A 73 3.033 0.276 6.347 1.00 0.00 O ATOM 1129 CB ILE A 73 3.931 0.502 3.007 1.00 0.00 C ATOM 1130 CG1 ILE A 73 4.823 -0.369 2.121 1.00 0.00 C ATOM 1131 CG2 ILE A 73 3.755 1.910 2.436 1.00 0.00 C ATOM 1132 CD1 ILE A 73 4.136 -0.682 0.790 1.00 0.00 C ATOM 0 H ILE A 73 4.431 -1.540 4.501 1.00 0.00 H new ATOM 0 HA ILE A 73 5.268 1.292 4.429 1.00 0.00 H new ATOM 0 HB ILE A 73 2.945 0.037 3.026 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.768 0.142 1.935 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.060 -1.298 2.639 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.374 1.844 1.417 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.049 2.467 3.052 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.716 2.424 2.432 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.792 -1.302 0.179 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.204 -1.215 0.978 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.922 0.248 0.263 1.00 0.00 H new ATOM 1144 N HIS A 74 3.031 2.286 5.311 1.00 0.00 N ATOM 1145 CA HIS A 74 2.053 2.873 6.211 1.00 0.00 C ATOM 1146 C HIS A 74 0.874 3.417 5.403 1.00 0.00 C ATOM 1147 O HIS A 74 0.932 4.531 4.885 1.00 0.00 O ATOM 1148 CB HIS A 74 2.703 3.936 7.100 1.00 0.00 C ATOM 1149 CG HIS A 74 3.592 3.371 8.182 1.00 0.00 C ATOM 1150 ND1 HIS A 74 3.095 2.833 9.356 1.00 0.00 N ATOM 1151 CD2 HIS A 74 4.950 3.267 8.255 1.00 0.00 C ATOM 1152 CE1 HIS A 74 4.117 2.426 10.095 1.00 0.00 C ATOM 1153 NE2 HIS A 74 5.266 2.696 9.411 1.00 0.00 N ATOM 0 H HIS A 74 3.365 2.911 4.577 1.00 0.00 H new ATOM 0 HA HIS A 74 1.666 2.107 6.883 1.00 0.00 H new ATOM 0 HB2 HIS A 74 3.291 4.608 6.475 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.920 4.536 7.564 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.650 3.594 7.500 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.052 1.962 11.068 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.212 2.493 9.734 1.00 0.00 H new ATOM 1161 N LEU A 75 -0.170 2.605 5.320 1.00 0.00 N ATOM 1162 CA LEU A 75 -1.362 2.990 4.584 1.00 0.00 C ATOM 1163 C LEU A 75 -2.325 3.716 5.525 1.00 0.00 C ATOM 1164 O LEU A 75 -2.410 3.386 6.707 1.00 0.00 O ATOM 1165 CB LEU A 75 -1.979 1.775 3.890 1.00 0.00 C ATOM 1166 CG LEU A 75 -3.450 1.906 3.489 1.00 0.00 C ATOM 1167 CD1 LEU A 75 -3.597 2.711 2.196 1.00 0.00 C ATOM 1168 CD2 LEU A 75 -4.116 0.532 3.388 1.00 0.00 C ATOM 0 H LEU A 75 -0.215 1.681 5.751 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.108 3.688 3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.397 1.559 2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.879 0.914 4.551 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.969 2.458 4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.652 2.789 1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.184 3.709 2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.059 2.209 1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.161 0.654 3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.602 -0.067 2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.061 0.029 4.353 1.00 0.00 H new ATOM 1180 N VAL A 76 -3.026 4.691 4.966 1.00 0.00 N ATOM 1181 CA VAL A 76 -3.980 5.466 5.740 1.00 0.00 C ATOM 1182 C VAL A 76 -5.299 5.562 4.970 1.00 0.00 C ATOM 1183 O VAL A 76 -5.303 5.571 3.740 1.00 0.00 O ATOM 1184 CB VAL A 76 -3.387 6.834 6.083 1.00 0.00 C ATOM 1185 CG1 VAL A 76 -2.112 6.686 6.916 1.00 0.00 C ATOM 1186 CG2 VAL A 76 -3.123 7.650 4.816 1.00 0.00 C ATOM 0 H VAL A 76 -2.952 4.962 3.985 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.193 4.972 6.688 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.118 7.375 6.684 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.711 7.673 7.146 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.342 6.163 7.844 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.373 6.117 6.352 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.702 8.618 5.088 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.420 7.114 4.178 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.059 7.800 4.278 1.00 0.00 H new ATOM 1196 N GLU A 77 -6.385 5.632 5.725 1.00 0.00 N ATOM 1197 CA GLU A 77 -7.706 5.727 5.128 1.00 0.00 C ATOM 1198 C GLU A 77 -8.375 7.045 5.525 1.00 0.00 C ATOM 1199 O GLU A 77 -8.507 7.345 6.711 1.00 0.00 O ATOM 1200 CB GLU A 77 -8.574 4.531 5.524 1.00 0.00 C ATOM 1201 CG GLU A 77 -9.913 4.556 4.785 1.00 0.00 C ATOM 1202 CD GLU A 77 -11.084 4.471 5.767 1.00 0.00 C ATOM 1203 OE1 GLU A 77 -10.972 3.663 6.714 1.00 0.00 O ATOM 1204 OE2 GLU A 77 -12.064 5.215 5.547 1.00 0.00 O ATOM 0 H GLU A 77 -6.377 5.625 6.745 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.595 5.711 4.044 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.047 3.604 5.298 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.748 4.544 6.600 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.992 5.471 4.198 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.961 3.723 4.084 1.00 0.00 H new