USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 510 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 10 THR OG1 : rot 180:sc= 0.0194 USER MOD Set 1.2: A 11 CYS SG : rot 180:sc= 0 USER MOD Set 1.3: A 14 CYS SG : rot -116:sc= 0.565 USER MOD Set 1.4: A 60 TYR OH : rot 157:sc= 0.261 USER MOD Single : A 3 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0102) USER MOD Single : A 5 LYS NZ :NH3+ 165:sc= -0.0351 (180deg=-0.262) USER MOD Single : A 9 MET CE :methyl -155:sc= -0.358 (180deg=-1.65) USER MOD Single : A 12 ASN : amide:sc= 0.0392 K(o=0.039,f=-2.1!) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 MET CE :methyl -160:sc= -0.0711 (180deg=-0.514) USER MOD Single : A 19 THR OG1 : rot 72:sc= 1.28 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 154:sc= 1.25 (180deg=1.04) USER MOD Single : A 45 THR OG1 : rot -81:sc= 0.028 USER MOD Single : A 49 LYS NZ :NH3+ 141:sc= 0.361 (180deg=0.0118) USER MOD Single : A 53 GLN : amide:sc= -0.0025 X(o=-0.0025,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0855) USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 2 -7.777 -3.484 5.212 1.00 0.00 N ATOM 19 CA LEU A 2 -7.241 -4.401 4.203 1.00 0.00 C ATOM 20 C LEU A 2 -5.752 -4.588 4.431 1.00 0.00 C ATOM 21 O LEU A 2 -5.089 -3.666 4.907 1.00 0.00 O ATOM 22 CB LEU A 2 -7.460 -3.856 2.790 1.00 0.00 C ATOM 23 CG LEU A 2 -8.906 -4.008 2.286 1.00 0.00 C ATOM 24 CD1 LEU A 2 -9.480 -2.634 1.950 1.00 0.00 C ATOM 25 CD2 LEU A 2 -8.948 -4.887 1.035 1.00 0.00 C ATOM 0 HA LEU A 2 -7.764 -5.353 4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.187 -2.801 2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.789 -4.372 2.103 1.00 0.00 H new ATOM 0 HG LEU A 2 -9.499 -4.477 3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -10.504 -2.745 1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -9.472 -2.008 2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.874 -2.166 1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -9.978 -4.984 0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.346 -4.431 0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.550 -5.874 1.270 1.00 0.00 H new ATOM 37 N LYS A 3 -5.244 -5.765 4.054 1.00 0.00 N ATOM 38 CA LYS A 3 -3.843 -6.152 4.177 1.00 0.00 C ATOM 39 C LYS A 3 -3.243 -6.311 2.796 1.00 0.00 C ATOM 40 O LYS A 3 -3.694 -7.166 2.022 1.00 0.00 O ATOM 41 CB LYS A 3 -3.688 -7.459 4.956 1.00 0.00 C ATOM 42 CG LYS A 3 -3.936 -7.301 6.457 1.00 0.00 C ATOM 43 CD LYS A 3 -5.417 -7.231 6.865 1.00 0.00 C ATOM 44 CE LYS A 3 -5.699 -7.997 8.164 1.00 0.00 C ATOM 45 NZ LYS A 3 -4.925 -7.489 9.310 1.00 0.00 N ATOM 0 H LYS A 3 -5.821 -6.498 3.641 1.00 0.00 H new ATOM 0 HA LYS A 3 -3.321 -5.369 4.727 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.383 -8.197 4.556 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.683 -7.850 4.800 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.470 -8.138 6.977 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.437 -6.395 6.800 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.708 -6.188 6.990 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.032 -7.640 6.064 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.763 -7.933 8.394 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.468 -9.052 8.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.206 -7.999 10.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -3.910 -7.636 9.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.112 -6.473 9.432 1.00 0.00 H new ATOM 59 N LEU A 4 -2.305 -5.441 2.456 1.00 0.00 N ATOM 60 CA LEU A 4 -1.620 -5.433 1.169 1.00 0.00 C ATOM 61 C LEU A 4 -0.169 -5.796 1.375 1.00 0.00 C ATOM 62 O LEU A 4 0.525 -5.126 2.142 1.00 0.00 O ATOM 63 CB LEU A 4 -1.637 -4.036 0.531 1.00 0.00 C ATOM 64 CG LEU A 4 -2.578 -3.856 -0.660 1.00 0.00 C ATOM 65 CD1 LEU A 4 -2.412 -2.439 -1.195 1.00 0.00 C ATOM 66 CD2 LEU A 4 -2.331 -4.839 -1.796 1.00 0.00 C ATOM 0 H LEU A 4 -1.989 -4.701 3.083 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.134 -6.144 0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.910 -3.311 1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.624 -3.793 0.209 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.588 -4.046 -0.298 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.076 -2.291 -2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.661 -1.723 -0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -1.380 -2.288 -1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.038 -4.647 -2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.314 -4.717 -2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -2.464 -5.857 -1.431 1.00 0.00 H new ATOM 78 N LYS A 5 0.266 -6.826 0.670 1.00 0.00 N ATOM 79 CA LYS A 5 1.631 -7.304 0.705 1.00 0.00 C ATOM 80 C LYS A 5 2.358 -6.544 -0.387 1.00 0.00 C ATOM 81 O LYS A 5 1.924 -6.613 -1.535 1.00 0.00 O ATOM 82 CB LYS A 5 1.634 -8.812 0.444 1.00 0.00 C ATOM 83 CG LYS A 5 3.013 -9.407 0.721 1.00 0.00 C ATOM 84 CD LYS A 5 2.984 -10.938 0.652 1.00 0.00 C ATOM 85 CE LYS A 5 4.351 -11.547 0.971 1.00 0.00 C ATOM 86 NZ LYS A 5 4.806 -11.185 2.329 1.00 0.00 N ATOM 0 H LYS A 5 -0.335 -7.363 0.045 1.00 0.00 H new ATOM 0 HA LYS A 5 2.117 -7.142 1.667 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.890 -9.297 1.076 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.350 -9.007 -0.590 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.730 -9.022 -0.004 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.356 -9.092 1.706 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.243 -11.320 1.355 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.670 -11.251 -0.344 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.296 -12.632 0.883 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.082 -11.204 0.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.594 -11.804 2.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.125 -10.195 2.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.020 -11.300 3.001 1.00 0.00 H new ATOM 100 N VAL A 6 3.418 -5.816 -0.059 1.00 0.00 N ATOM 101 CA VAL A 6 4.207 -5.042 -1.017 1.00 0.00 C ATOM 102 C VAL A 6 5.643 -5.566 -1.092 1.00 0.00 C ATOM 103 O VAL A 6 6.191 -6.055 -0.103 1.00 0.00 O ATOM 104 CB VAL A 6 4.257 -3.553 -0.601 1.00 0.00 C ATOM 105 CG1 VAL A 6 4.696 -2.646 -1.764 1.00 0.00 C ATOM 106 CG2 VAL A 6 2.935 -3.010 -0.052 1.00 0.00 C ATOM 0 H VAL A 6 3.762 -5.744 0.898 1.00 0.00 H new ATOM 0 HA VAL A 6 3.727 -5.143 -1.990 1.00 0.00 H new ATOM 0 HB VAL A 6 4.993 -3.531 0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.718 -1.609 -1.429 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.691 -2.940 -2.099 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.991 -2.746 -2.589 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.056 -1.960 0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.160 -3.103 -0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.647 -3.579 0.832 1.00 0.00 H new ATOM 116 N GLU A 7 6.285 -5.399 -2.245 1.00 0.00 N ATOM 117 CA GLU A 7 7.663 -5.769 -2.520 1.00 0.00 C ATOM 118 C GLU A 7 8.286 -4.580 -3.258 1.00 0.00 C ATOM 119 O GLU A 7 7.628 -3.890 -4.047 1.00 0.00 O ATOM 120 CB GLU A 7 7.776 -7.053 -3.357 1.00 0.00 C ATOM 121 CG GLU A 7 7.455 -8.346 -2.596 1.00 0.00 C ATOM 122 CD GLU A 7 8.438 -8.715 -1.478 1.00 0.00 C ATOM 123 OE1 GLU A 7 9.660 -8.447 -1.568 1.00 0.00 O ATOM 124 OE2 GLU A 7 8.001 -9.339 -0.481 1.00 0.00 O ATOM 0 H GLU A 7 5.829 -4.978 -3.055 1.00 0.00 H new ATOM 0 HA GLU A 7 8.184 -5.987 -1.588 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.103 -6.974 -4.211 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.789 -7.123 -3.754 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.458 -8.255 -2.164 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.419 -9.168 -3.311 1.00 0.00 H new ATOM 131 N GLY A 8 9.565 -4.330 -2.998 1.00 0.00 N ATOM 132 CA GLY A 8 10.374 -3.261 -3.558 1.00 0.00 C ATOM 133 C GLY A 8 10.611 -2.134 -2.551 1.00 0.00 C ATOM 134 O GLY A 8 11.469 -1.284 -2.799 1.00 0.00 O ATOM 0 H GLY A 8 10.096 -4.909 -2.347 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.333 -3.664 -3.883 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.881 -2.859 -4.443 1.00 0.00 H new ATOM 138 N MET A 9 9.879 -2.098 -1.426 1.00 0.00 N ATOM 139 CA MET A 9 10.041 -1.066 -0.404 1.00 0.00 C ATOM 140 C MET A 9 11.318 -1.294 0.413 1.00 0.00 C ATOM 141 O MET A 9 11.263 -1.712 1.567 1.00 0.00 O ATOM 142 CB MET A 9 8.823 -0.996 0.526 1.00 0.00 C ATOM 143 CG MET A 9 7.518 -0.657 -0.194 1.00 0.00 C ATOM 144 SD MET A 9 6.149 -0.246 0.923 1.00 0.00 S ATOM 145 CE MET A 9 6.212 -1.619 2.110 1.00 0.00 C ATOM 0 H MET A 9 9.160 -2.786 -1.205 1.00 0.00 H new ATOM 0 HA MET A 9 10.126 -0.111 -0.923 1.00 0.00 H new ATOM 0 HB2 MET A 9 8.709 -1.954 1.034 1.00 0.00 H new ATOM 0 HB3 MET A 9 9.008 -0.247 1.296 1.00 0.00 H new ATOM 0 HG2 MET A 9 7.692 0.184 -0.865 1.00 0.00 H new ATOM 0 HG3 MET A 9 7.226 -1.504 -0.815 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.228 -1.759 2.556 1.00 0.00 H new ATOM 0 HE2 MET A 9 6.510 -2.532 1.595 1.00 0.00 H new ATOM 0 HE3 MET A 9 6.936 -1.391 2.892 1.00 0.00 H new ATOM 155 N THR A 10 12.475 -0.990 -0.161 1.00 0.00 N ATOM 156 CA THR A 10 13.754 -1.155 0.503 1.00 0.00 C ATOM 157 C THR A 10 14.052 0.010 1.457 1.00 0.00 C ATOM 158 O THR A 10 14.624 -0.202 2.530 1.00 0.00 O ATOM 159 CB THR A 10 14.834 -1.272 -0.580 1.00 0.00 C ATOM 160 OG1 THR A 10 14.758 -0.186 -1.486 1.00 0.00 O ATOM 161 CG2 THR A 10 14.716 -2.568 -1.392 1.00 0.00 C ATOM 0 H THR A 10 12.549 -0.619 -1.108 1.00 0.00 H new ATOM 0 HA THR A 10 13.735 -2.056 1.116 1.00 0.00 H new ATOM 0 HB THR A 10 15.787 -1.270 -0.051 1.00 0.00 H new ATOM 0 HG1 THR A 10 15.456 -0.279 -2.167 1.00 0.00 H new ATOM 0 HG21 THR A 10 15.504 -2.599 -2.144 1.00 0.00 H new ATOM 0 HG22 THR A 10 14.816 -3.425 -0.726 1.00 0.00 H new ATOM 0 HG23 THR A 10 13.744 -2.602 -1.884 1.00 0.00 H new ATOM 169 N CYS A 11 13.609 1.228 1.109 1.00 0.00 N ATOM 170 CA CYS A 11 13.824 2.453 1.874 1.00 0.00 C ATOM 171 C CYS A 11 12.524 3.096 2.357 1.00 0.00 C ATOM 172 O CYS A 11 11.455 2.881 1.783 1.00 0.00 O ATOM 173 CB CYS A 11 14.540 3.460 0.959 1.00 0.00 C ATOM 174 SG CYS A 11 16.132 2.804 0.393 1.00 0.00 S ATOM 0 H CYS A 11 13.073 1.386 0.256 1.00 0.00 H new ATOM 0 HA CYS A 11 14.409 2.193 2.756 1.00 0.00 H new ATOM 0 HB2 CYS A 11 13.910 3.688 0.099 1.00 0.00 H new ATOM 0 HB3 CYS A 11 14.698 4.396 1.495 1.00 0.00 H new ATOM 0 HG CYS A 11 16.711 3.675 -0.379 1.00 0.00 H new ATOM 180 N ASN A 12 12.616 3.978 3.362 1.00 0.00 N ATOM 181 CA ASN A 12 11.459 4.694 3.919 1.00 0.00 C ATOM 182 C ASN A 12 10.865 5.610 2.843 1.00 0.00 C ATOM 183 O ASN A 12 9.679 5.945 2.888 1.00 0.00 O ATOM 184 CB ASN A 12 11.811 5.516 5.174 1.00 0.00 C ATOM 185 CG ASN A 12 12.460 4.694 6.284 1.00 0.00 C ATOM 186 OD1 ASN A 12 13.531 4.122 6.097 1.00 0.00 O ATOM 187 ND2 ASN A 12 11.837 4.605 7.444 1.00 0.00 N ATOM 0 H ASN A 12 13.499 4.216 3.814 1.00 0.00 H new ATOM 0 HA ASN A 12 10.729 3.946 4.229 1.00 0.00 H new ATOM 0 HB2 ASN A 12 12.485 6.324 4.891 1.00 0.00 H new ATOM 0 HB3 ASN A 12 10.903 5.979 5.560 1.00 0.00 H new ATOM 0 HD21 ASN A 12 12.244 4.055 8.201 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.948 5.086 7.584 1.00 0.00 H new ATOM 194 N HIS A 13 11.683 6.013 1.862 1.00 0.00 N ATOM 195 CA HIS A 13 11.270 6.844 0.739 1.00 0.00 C ATOM 196 C HIS A 13 10.253 6.063 -0.106 1.00 0.00 C ATOM 197 O HIS A 13 9.347 6.661 -0.685 1.00 0.00 O ATOM 198 CB HIS A 13 12.500 7.245 -0.084 1.00 0.00 C ATOM 199 CG HIS A 13 13.284 8.348 0.578 1.00 0.00 C ATOM 200 ND1 HIS A 13 12.922 9.676 0.608 1.00 0.00 N ATOM 201 CD2 HIS A 13 14.457 8.220 1.267 1.00 0.00 C ATOM 202 CE1 HIS A 13 13.845 10.336 1.323 1.00 0.00 C ATOM 203 NE2 HIS A 13 14.792 9.487 1.759 1.00 0.00 N ATOM 0 H HIS A 13 12.671 5.761 1.832 1.00 0.00 H new ATOM 0 HA HIS A 13 10.796 7.759 1.093 1.00 0.00 H new ATOM 0 HB2 HIS A 13 13.143 6.376 -0.223 1.00 0.00 H new ATOM 0 HB3 HIS A 13 12.183 7.569 -1.075 1.00 0.00 H new ATOM 0 HD2 HIS A 13 15.021 7.310 1.406 1.00 0.00 H new ATOM 0 HE1 HIS A 13 13.830 11.398 1.520 1.00 0.00 H new ATOM 0 HE2 HIS A 13 15.599 9.721 2.337 1.00 0.00 H new ATOM 211 N CYS A 14 10.379 4.733 -0.181 1.00 0.00 N ATOM 212 CA CYS A 14 9.453 3.897 -0.923 1.00 0.00 C ATOM 213 C CYS A 14 8.146 3.837 -0.133 1.00 0.00 C ATOM 214 O CYS A 14 7.082 4.096 -0.677 1.00 0.00 O ATOM 215 CB CYS A 14 9.996 2.473 -1.083 1.00 0.00 C ATOM 216 SG CYS A 14 11.736 2.439 -1.594 1.00 0.00 S ATOM 0 H CYS A 14 11.130 4.214 0.275 1.00 0.00 H new ATOM 0 HA CYS A 14 9.305 4.319 -1.917 1.00 0.00 H new ATOM 0 HB2 CYS A 14 9.889 1.940 -0.138 1.00 0.00 H new ATOM 0 HB3 CYS A 14 9.395 1.940 -1.820 1.00 0.00 H new ATOM 0 HG CYS A 14 11.831 1.900 -2.773 1.00 0.00 H new ATOM 222 N VAL A 15 8.237 3.536 1.167 1.00 0.00 N ATOM 223 CA VAL A 15 7.100 3.420 2.077 1.00 0.00 C ATOM 224 C VAL A 15 6.218 4.663 2.002 1.00 0.00 C ATOM 225 O VAL A 15 5.004 4.528 1.855 1.00 0.00 O ATOM 226 CB VAL A 15 7.610 3.140 3.506 1.00 0.00 C ATOM 227 CG1 VAL A 15 6.514 3.122 4.580 1.00 0.00 C ATOM 228 CG2 VAL A 15 8.314 1.782 3.544 1.00 0.00 C ATOM 0 H VAL A 15 9.132 3.362 1.625 1.00 0.00 H new ATOM 0 HA VAL A 15 6.474 2.580 1.777 1.00 0.00 H new ATOM 0 HB VAL A 15 8.283 3.966 3.738 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.961 2.918 5.553 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.014 4.090 4.606 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.787 2.345 4.345 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.673 1.587 4.554 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.613 1.000 3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.158 1.790 2.854 1.00 0.00 H new ATOM 238 N MET A 16 6.794 5.865 2.086 1.00 0.00 N ATOM 239 CA MET A 16 5.999 7.088 2.028 1.00 0.00 C ATOM 240 C MET A 16 5.293 7.254 0.678 1.00 0.00 C ATOM 241 O MET A 16 4.165 7.752 0.640 1.00 0.00 O ATOM 242 CB MET A 16 6.853 8.311 2.374 1.00 0.00 C ATOM 243 CG MET A 16 7.964 8.604 1.353 1.00 0.00 C ATOM 244 SD MET A 16 8.840 10.174 1.535 1.00 0.00 S ATOM 245 CE MET A 16 7.469 11.293 1.148 1.00 0.00 C ATOM 0 H MET A 16 7.797 6.014 2.193 1.00 0.00 H new ATOM 0 HA MET A 16 5.215 7.003 2.780 1.00 0.00 H new ATOM 0 HB2 MET A 16 6.205 9.184 2.452 1.00 0.00 H new ATOM 0 HB3 MET A 16 7.305 8.161 3.355 1.00 0.00 H new ATOM 0 HG2 MET A 16 8.696 7.798 1.406 1.00 0.00 H new ATOM 0 HG3 MET A 16 7.526 8.572 0.355 1.00 0.00 H new ATOM 0 HE1 MET A 16 7.865 12.267 0.859 1.00 0.00 H new ATOM 0 HE2 MET A 16 6.884 10.881 0.326 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.832 11.406 2.026 1.00 0.00 H new ATOM 255 N ALA A 17 5.940 6.858 -0.425 1.00 0.00 N ATOM 256 CA ALA A 17 5.353 6.963 -1.748 1.00 0.00 C ATOM 257 C ALA A 17 4.176 5.993 -1.813 1.00 0.00 C ATOM 258 O ALA A 17 3.066 6.428 -2.099 1.00 0.00 O ATOM 259 CB ALA A 17 6.401 6.720 -2.837 1.00 0.00 C ATOM 0 H ALA A 17 6.879 6.459 -0.416 1.00 0.00 H new ATOM 0 HA ALA A 17 4.983 7.972 -1.932 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.933 6.805 -3.818 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.196 7.461 -2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.821 5.721 -2.721 1.00 0.00 H new ATOM 265 N VAL A 18 4.378 4.726 -1.438 1.00 0.00 N ATOM 266 CA VAL A 18 3.348 3.691 -1.428 1.00 0.00 C ATOM 267 C VAL A 18 2.184 4.161 -0.543 1.00 0.00 C ATOM 268 O VAL A 18 1.019 3.975 -0.889 1.00 0.00 O ATOM 269 CB VAL A 18 3.984 2.352 -0.986 1.00 0.00 C ATOM 270 CG1 VAL A 18 2.952 1.248 -0.723 1.00 0.00 C ATOM 271 CG2 VAL A 18 4.962 1.840 -2.058 1.00 0.00 C ATOM 0 H VAL A 18 5.288 4.386 -1.125 1.00 0.00 H new ATOM 0 HA VAL A 18 2.932 3.518 -2.420 1.00 0.00 H new ATOM 0 HB VAL A 18 4.501 2.567 -0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.465 0.336 -0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.273 1.566 0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.384 1.057 -1.633 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.400 0.897 -1.730 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.427 1.685 -2.995 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.753 2.574 -2.209 1.00 0.00 H new ATOM 281 N THR A 19 2.476 4.808 0.588 1.00 0.00 N ATOM 282 CA THR A 19 1.474 5.329 1.505 1.00 0.00 C ATOM 283 C THR A 19 0.612 6.357 0.765 1.00 0.00 C ATOM 284 O THR A 19 -0.606 6.192 0.666 1.00 0.00 O ATOM 285 CB THR A 19 2.168 5.937 2.736 1.00 0.00 C ATOM 286 OG1 THR A 19 2.923 4.952 3.411 1.00 0.00 O ATOM 287 CG2 THR A 19 1.175 6.542 3.723 1.00 0.00 C ATOM 0 H THR A 19 3.433 4.985 0.892 1.00 0.00 H new ATOM 0 HA THR A 19 0.822 4.530 1.858 1.00 0.00 H new ATOM 0 HB THR A 19 2.816 6.731 2.365 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.715 4.725 2.880 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.715 6.958 4.574 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.609 7.333 3.231 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.490 5.768 4.071 1.00 0.00 H new ATOM 295 N LYS A 20 1.217 7.428 0.237 1.00 0.00 N ATOM 296 CA LYS A 20 0.464 8.457 -0.478 1.00 0.00 C ATOM 297 C LYS A 20 -0.239 7.896 -1.704 1.00 0.00 C ATOM 298 O LYS A 20 -1.366 8.313 -1.966 1.00 0.00 O ATOM 299 CB LYS A 20 1.376 9.627 -0.860 1.00 0.00 C ATOM 300 CG LYS A 20 1.635 10.533 0.354 1.00 0.00 C ATOM 301 CD LYS A 20 2.635 11.654 0.048 1.00 0.00 C ATOM 302 CE LYS A 20 2.274 12.505 -1.179 1.00 0.00 C ATOM 303 NZ LYS A 20 1.014 13.262 -1.024 1.00 0.00 N ATOM 0 H LYS A 20 2.221 7.601 0.293 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.308 8.825 0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.322 9.246 -1.244 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.916 10.206 -1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.693 10.971 0.684 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.012 9.930 1.180 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.710 12.306 0.918 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.620 11.214 -0.107 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.086 13.204 -1.377 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.193 11.855 -2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.832 13.813 -1.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.228 12.600 -0.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.094 13.907 -0.212 1.00 0.00 H new ATOM 317 N ALA A 21 0.377 6.942 -2.398 1.00 0.00 N ATOM 318 CA ALA A 21 -0.168 6.308 -3.578 1.00 0.00 C ATOM 319 C ALA A 21 -1.441 5.553 -3.219 1.00 0.00 C ATOM 320 O ALA A 21 -2.432 5.648 -3.935 1.00 0.00 O ATOM 321 CB ALA A 21 0.864 5.374 -4.212 1.00 0.00 C ATOM 0 H ALA A 21 1.297 6.584 -2.140 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.416 7.076 -4.311 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.435 4.906 -5.098 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.747 5.946 -4.495 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.146 4.603 -3.495 1.00 0.00 H new ATOM 327 N LEU A 22 -1.448 4.812 -2.106 1.00 0.00 N ATOM 328 CA LEU A 22 -2.633 4.065 -1.694 1.00 0.00 C ATOM 329 C LEU A 22 -3.733 5.057 -1.360 1.00 0.00 C ATOM 330 O LEU A 22 -4.909 4.829 -1.629 1.00 0.00 O ATOM 331 CB LEU A 22 -2.303 3.147 -0.507 1.00 0.00 C ATOM 332 CG LEU A 22 -1.582 1.875 -0.981 1.00 0.00 C ATOM 333 CD1 LEU A 22 -0.874 1.166 0.175 1.00 0.00 C ATOM 334 CD2 LEU A 22 -2.591 0.904 -1.592 1.00 0.00 C ATOM 0 H LEU A 22 -0.649 4.716 -1.479 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.977 3.419 -2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.676 3.681 0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.221 2.876 0.015 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.840 2.177 -1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.375 0.271 -0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.136 1.836 0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.606 0.885 0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.074 0.004 -1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.338 0.637 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.082 1.377 -2.442 1.00 0.00 H new ATOM 346 N LYS A 23 -3.345 6.212 -0.826 1.00 0.00 N ATOM 347 CA LYS A 23 -4.263 7.275 -0.477 1.00 0.00 C ATOM 348 C LYS A 23 -4.800 8.029 -1.707 1.00 0.00 C ATOM 349 O LYS A 23 -5.405 9.086 -1.547 1.00 0.00 O ATOM 350 CB LYS A 23 -3.641 8.186 0.586 1.00 0.00 C ATOM 351 CG LYS A 23 -3.403 7.420 1.898 1.00 0.00 C ATOM 352 CD LYS A 23 -2.730 8.187 3.044 1.00 0.00 C ATOM 353 CE LYS A 23 -2.046 9.502 2.645 1.00 0.00 C ATOM 354 NZ LYS A 23 -2.038 10.486 3.742 1.00 0.00 N ATOM 0 H LYS A 23 -2.370 6.432 -0.624 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.151 6.826 -0.032 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.696 8.587 0.219 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.298 9.036 0.771 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.366 7.054 2.255 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.793 6.545 1.673 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.481 8.404 3.803 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.987 7.537 3.507 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.021 9.296 2.337 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.558 9.928 1.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.566 11.356 3.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.016 10.704 4.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.526 10.093 4.557 1.00 0.00 H new ATOM 368 N LYS A 24 -4.513 7.595 -2.942 1.00 0.00 N ATOM 369 CA LYS A 24 -5.032 8.235 -4.160 1.00 0.00 C ATOM 370 C LYS A 24 -6.360 7.567 -4.549 1.00 0.00 C ATOM 371 O LYS A 24 -7.073 8.092 -5.407 1.00 0.00 O ATOM 372 CB LYS A 24 -4.060 8.051 -5.341 1.00 0.00 C ATOM 373 CG LYS A 24 -2.705 8.747 -5.178 1.00 0.00 C ATOM 374 CD LYS A 24 -1.665 8.272 -6.202 1.00 0.00 C ATOM 375 CE LYS A 24 -1.964 8.620 -7.662 1.00 0.00 C ATOM 376 NZ LYS A 24 -0.823 8.240 -8.523 1.00 0.00 N ATOM 0 H LYS A 24 -3.914 6.790 -3.125 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.160 9.298 -3.954 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.889 6.985 -5.488 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.537 8.425 -6.247 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.841 9.824 -5.278 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.327 8.565 -4.172 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.699 8.700 -5.936 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.568 7.190 -6.118 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.865 8.101 -7.990 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.160 9.688 -7.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.038 8.481 -9.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.028 8.754 -8.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.655 7.217 -8.445 1.00 0.00 H new ATOM 390 N VAL A 25 -6.675 6.420 -3.947 1.00 0.00 N ATOM 391 CA VAL A 25 -7.865 5.629 -4.204 1.00 0.00 C ATOM 392 C VAL A 25 -9.126 6.250 -3.601 1.00 0.00 C ATOM 393 O VAL A 25 -9.122 6.594 -2.421 1.00 0.00 O ATOM 394 CB VAL A 25 -7.600 4.211 -3.669 1.00 0.00 C ATOM 395 CG1 VAL A 25 -8.789 3.286 -3.906 1.00 0.00 C ATOM 396 CG2 VAL A 25 -6.371 3.588 -4.345 1.00 0.00 C ATOM 0 H VAL A 25 -6.076 6.003 -3.235 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.060 5.595 -5.276 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.428 4.314 -2.598 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.562 2.294 -3.514 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.667 3.685 -3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.989 3.217 -4.975 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.206 2.586 -3.948 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.538 3.530 -5.421 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.495 4.205 -4.147 1.00 0.00 H new ATOM 406 N PRO A 26 -10.229 6.360 -4.362 1.00 0.00 N ATOM 407 CA PRO A 26 -11.463 6.929 -3.853 1.00 0.00 C ATOM 408 C PRO A 26 -12.095 6.010 -2.798 1.00 0.00 C ATOM 409 O PRO A 26 -12.581 4.923 -3.112 1.00 0.00 O ATOM 410 CB PRO A 26 -12.357 7.134 -5.076 1.00 0.00 C ATOM 411 CG PRO A 26 -11.876 6.079 -6.069 1.00 0.00 C ATOM 412 CD PRO A 26 -10.382 5.999 -5.769 1.00 0.00 C ATOM 0 HA PRO A 26 -11.301 7.877 -3.340 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -13.410 6.998 -4.828 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.253 8.140 -5.482 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.373 5.121 -5.915 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.067 6.375 -7.100 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.000 4.995 -5.957 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.820 6.679 -6.409 1.00 0.00 H new ATOM 420 N GLY A 27 -12.053 6.441 -1.540 1.00 0.00 N ATOM 421 CA GLY A 27 -12.617 5.750 -0.379 1.00 0.00 C ATOM 422 C GLY A 27 -11.633 5.518 0.766 1.00 0.00 C ATOM 423 O GLY A 27 -12.032 5.057 1.838 1.00 0.00 O ATOM 0 H GLY A 27 -11.605 7.322 -1.288 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.461 6.329 -0.003 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.011 4.786 -0.703 1.00 0.00 H new ATOM 427 N VAL A 28 -10.347 5.803 0.577 1.00 0.00 N ATOM 428 CA VAL A 28 -9.330 5.614 1.603 1.00 0.00 C ATOM 429 C VAL A 28 -9.315 6.760 2.625 1.00 0.00 C ATOM 430 O VAL A 28 -9.350 7.946 2.282 1.00 0.00 O ATOM 431 CB VAL A 28 -7.983 5.430 0.889 1.00 0.00 C ATOM 432 CG1 VAL A 28 -7.573 6.695 0.134 1.00 0.00 C ATOM 433 CG2 VAL A 28 -6.876 4.965 1.843 1.00 0.00 C ATOM 0 H VAL A 28 -9.981 6.174 -0.300 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.552 4.726 2.195 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.122 4.635 0.156 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.615 6.530 -0.360 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.330 6.934 -0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.481 7.524 0.836 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.944 4.850 1.290 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.741 5.705 2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.155 4.009 2.286 1.00 0.00 H new ATOM 443 N GLU A 29 -9.213 6.401 3.905 1.00 0.00 N ATOM 444 CA GLU A 29 -9.152 7.358 4.998 1.00 0.00 C ATOM 445 C GLU A 29 -7.686 7.556 5.363 1.00 0.00 C ATOM 446 O GLU A 29 -7.161 8.666 5.234 1.00 0.00 O ATOM 447 CB GLU A 29 -9.972 6.894 6.206 1.00 0.00 C ATOM 448 CG GLU A 29 -11.467 7.106 5.944 1.00 0.00 C ATOM 449 CD GLU A 29 -12.298 7.089 7.227 1.00 0.00 C ATOM 450 OE1 GLU A 29 -11.931 7.791 8.197 1.00 0.00 O ATOM 451 OE2 GLU A 29 -13.360 6.422 7.214 1.00 0.00 O ATOM 0 H GLU A 29 -9.170 5.428 4.210 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.591 8.305 4.683 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.776 5.840 6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.669 7.448 7.095 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.611 8.059 5.435 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.828 6.328 5.272 1.00 0.00 H new ATOM 458 N LYS A 30 -7.025 6.476 5.790 1.00 0.00 N ATOM 459 CA LYS A 30 -5.621 6.455 6.186 1.00 0.00 C ATOM 460 C LYS A 30 -5.050 5.097 5.778 1.00 0.00 C ATOM 461 O LYS A 30 -5.803 4.189 5.406 1.00 0.00 O ATOM 462 CB LYS A 30 -5.523 6.705 7.710 1.00 0.00 C ATOM 463 CG LYS A 30 -4.101 7.045 8.195 1.00 0.00 C ATOM 464 CD LYS A 30 -3.980 7.083 9.721 1.00 0.00 C ATOM 465 CE LYS A 30 -4.593 8.333 10.349 1.00 0.00 C ATOM 466 NZ LYS A 30 -4.441 8.311 11.816 1.00 0.00 N ATOM 0 H LYS A 30 -7.472 5.563 5.871 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.043 7.238 5.695 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.193 7.522 7.978 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.874 5.818 8.237 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.403 6.308 7.799 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.807 8.013 7.789 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.466 6.201 10.138 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.927 7.027 9.996 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.112 9.223 9.942 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.650 8.395 10.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.865 9.170 12.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.920 7.473 12.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.431 8.275 12.060 1.00 0.00 H new ATOM 480 N VAL A 31 -3.729 4.965 5.779 1.00 0.00 N ATOM 481 CA VAL A 31 -3.004 3.755 5.441 1.00 0.00 C ATOM 482 C VAL A 31 -1.770 3.748 6.336 1.00 0.00 C ATOM 483 O VAL A 31 -1.173 4.803 6.556 1.00 0.00 O ATOM 484 CB VAL A 31 -2.567 3.762 3.961 1.00 0.00 C ATOM 485 CG1 VAL A 31 -1.932 2.442 3.523 1.00 0.00 C ATOM 486 CG2 VAL A 31 -3.703 4.070 2.978 1.00 0.00 C ATOM 0 H VAL A 31 -3.109 5.736 6.027 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.630 2.875 5.588 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.833 4.567 3.923 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.645 2.507 2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.048 2.245 4.129 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.650 1.632 3.653 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.316 4.057 1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.485 3.318 3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.116 5.055 3.196 1.00 0.00 H new ATOM 496 N GLU A 32 -1.357 2.576 6.802 1.00 0.00 N ATOM 497 CA GLU A 32 -0.185 2.410 7.636 1.00 0.00 C ATOM 498 C GLU A 32 0.692 1.386 6.938 1.00 0.00 C ATOM 499 O GLU A 32 0.381 0.195 6.946 1.00 0.00 O ATOM 500 CB GLU A 32 -0.570 2.015 9.062 1.00 0.00 C ATOM 501 CG GLU A 32 0.655 2.089 9.975 1.00 0.00 C ATOM 502 CD GLU A 32 0.247 1.971 11.436 1.00 0.00 C ATOM 503 OE1 GLU A 32 -0.276 2.966 11.994 1.00 0.00 O ATOM 504 OE2 GLU A 32 0.415 0.875 12.016 1.00 0.00 O ATOM 0 H GLU A 32 -1.841 1.700 6.604 1.00 0.00 H new ATOM 0 HA GLU A 32 0.366 3.343 7.754 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.351 2.678 9.433 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.979 1.005 9.070 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.352 1.290 9.722 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.178 3.032 9.814 1.00 0.00 H new ATOM 511 N VAL A 33 1.726 1.851 6.249 1.00 0.00 N ATOM 512 CA VAL A 33 2.675 1.018 5.525 1.00 0.00 C ATOM 513 C VAL A 33 3.916 0.902 6.405 1.00 0.00 C ATOM 514 O VAL A 33 4.344 1.899 6.996 1.00 0.00 O ATOM 515 CB VAL A 33 2.959 1.616 4.130 1.00 0.00 C ATOM 516 CG1 VAL A 33 3.727 0.633 3.245 1.00 0.00 C ATOM 517 CG2 VAL A 33 1.676 2.025 3.386 1.00 0.00 C ATOM 0 H VAL A 33 1.933 2.847 6.177 1.00 0.00 H new ATOM 0 HA VAL A 33 2.284 0.019 5.332 1.00 0.00 H new ATOM 0 HB VAL A 33 3.560 2.506 4.315 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.910 1.087 2.271 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.679 0.387 3.715 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.140 -0.277 3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.937 2.439 2.412 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.040 1.151 3.250 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.142 2.776 3.968 1.00 0.00 H new ATOM 527 N SER A 34 4.469 -0.303 6.501 1.00 0.00 N ATOM 528 CA SER A 34 5.642 -0.614 7.298 1.00 0.00 C ATOM 529 C SER A 34 6.747 -1.143 6.388 1.00 0.00 C ATOM 530 O SER A 34 6.502 -2.017 5.553 1.00 0.00 O ATOM 531 CB SER A 34 5.244 -1.647 8.348 1.00 0.00 C ATOM 532 OG SER A 34 4.327 -1.097 9.284 1.00 0.00 O ATOM 0 H SER A 34 4.097 -1.115 6.008 1.00 0.00 H new ATOM 0 HA SER A 34 6.021 0.276 7.801 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.795 -2.512 7.860 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.133 -2.001 8.870 1.00 0.00 H new ATOM 0 HG SER A 34 4.086 -1.779 9.945 1.00 0.00 H new ATOM 538 N LEU A 35 7.956 -0.609 6.565 1.00 0.00 N ATOM 539 CA LEU A 35 9.151 -0.945 5.806 1.00 0.00 C ATOM 540 C LEU A 35 9.507 -2.419 5.952 1.00 0.00 C ATOM 541 O LEU A 35 9.375 -3.187 5.006 1.00 0.00 O ATOM 542 CB LEU A 35 10.321 -0.042 6.256 1.00 0.00 C ATOM 543 CG LEU A 35 11.574 -0.213 5.377 1.00 0.00 C ATOM 544 CD1 LEU A 35 11.350 0.381 3.991 1.00 0.00 C ATOM 545 CD2 LEU A 35 12.770 0.504 6.005 1.00 0.00 C ATOM 0 H LEU A 35 8.132 0.102 7.275 1.00 0.00 H new ATOM 0 HA LEU A 35 8.954 -0.768 4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.002 1.000 6.229 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.574 -0.271 7.291 1.00 0.00 H new ATOM 0 HG LEU A 35 11.771 -1.282 5.297 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.249 0.248 3.389 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.513 -0.124 3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.128 1.444 4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 35 13.647 0.373 5.371 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.548 1.567 6.101 1.00 0.00 H new ATOM 0 HD23 LEU A 35 12.969 0.084 6.991 1.00 0.00 H new ATOM 557 N GLU A 36 9.932 -2.806 7.154 1.00 0.00 N ATOM 558 CA GLU A 36 10.350 -4.153 7.520 1.00 0.00 C ATOM 559 C GLU A 36 9.326 -5.217 7.134 1.00 0.00 C ATOM 560 O GLU A 36 9.662 -6.174 6.440 1.00 0.00 O ATOM 561 CB GLU A 36 10.638 -4.154 9.029 1.00 0.00 C ATOM 562 CG GLU A 36 10.793 -5.552 9.633 1.00 0.00 C ATOM 563 CD GLU A 36 11.270 -5.457 11.080 1.00 0.00 C ATOM 564 OE1 GLU A 36 12.496 -5.377 11.314 1.00 0.00 O ATOM 565 OE2 GLU A 36 10.422 -5.430 12.004 1.00 0.00 O ATOM 0 H GLU A 36 9.996 -2.154 7.936 1.00 0.00 H new ATOM 0 HA GLU A 36 11.248 -4.417 6.962 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.550 -3.586 9.215 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.829 -3.635 9.543 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.841 -6.081 9.591 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.505 -6.132 9.046 1.00 0.00 H new ATOM 572 N LYS A 37 8.078 -5.034 7.563 1.00 0.00 N ATOM 573 CA LYS A 37 7.007 -5.984 7.297 1.00 0.00 C ATOM 574 C LYS A 37 6.617 -6.045 5.823 1.00 0.00 C ATOM 575 O LYS A 37 6.063 -7.063 5.416 1.00 0.00 O ATOM 576 CB LYS A 37 5.787 -5.663 8.176 1.00 0.00 C ATOM 577 CG LYS A 37 5.935 -6.049 9.660 1.00 0.00 C ATOM 578 CD LYS A 37 6.829 -5.095 10.465 1.00 0.00 C ATOM 579 CE LYS A 37 6.880 -5.513 11.933 1.00 0.00 C ATOM 580 NZ LYS A 37 7.852 -4.701 12.689 1.00 0.00 N ATOM 0 H LYS A 37 7.784 -4.221 8.105 1.00 0.00 H new ATOM 0 HA LYS A 37 7.385 -6.974 7.552 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.583 -4.594 8.113 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.918 -6.178 7.767 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.946 -6.078 10.118 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.346 -7.057 9.724 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.836 -5.093 10.047 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.448 -4.077 10.385 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.891 -5.407 12.378 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.150 -6.567 12.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.577 -4.674 13.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.799 -5.122 12.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.867 -3.733 12.308 1.00 0.00 H new ATOM 594 N GLY A 38 6.902 -5.010 5.025 1.00 0.00 N ATOM 595 CA GLY A 38 6.546 -4.998 3.616 1.00 0.00 C ATOM 596 C GLY A 38 5.037 -5.169 3.461 1.00 0.00 C ATOM 597 O GLY A 38 4.585 -5.905 2.584 1.00 0.00 O ATOM 0 H GLY A 38 7.382 -4.167 5.341 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.863 -4.060 3.160 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.067 -5.800 3.093 1.00 0.00 H new ATOM 601 N GLU A 39 4.262 -4.532 4.338 1.00 0.00 N ATOM 602 CA GLU A 39 2.811 -4.597 4.358 1.00 0.00 C ATOM 603 C GLU A 39 2.242 -3.186 4.472 1.00 0.00 C ATOM 604 O GLU A 39 2.909 -2.272 4.971 1.00 0.00 O ATOM 605 CB GLU A 39 2.349 -5.437 5.563 1.00 0.00 C ATOM 606 CG GLU A 39 2.397 -6.956 5.338 1.00 0.00 C ATOM 607 CD GLU A 39 1.271 -7.504 4.450 1.00 0.00 C ATOM 608 OE1 GLU A 39 0.110 -7.040 4.574 1.00 0.00 O ATOM 609 OE2 GLU A 39 1.545 -8.484 3.729 1.00 0.00 O ATOM 0 H GLU A 39 4.644 -3.939 5.075 1.00 0.00 H new ATOM 0 HA GLU A 39 2.455 -5.060 3.437 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.973 -5.190 6.422 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.328 -5.152 5.818 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.356 -7.214 4.888 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.355 -7.455 6.306 1.00 0.00 H new ATOM 616 N ALA A 40 0.988 -3.041 4.049 1.00 0.00 N ATOM 617 CA ALA A 40 0.195 -1.828 4.054 1.00 0.00 C ATOM 618 C ALA A 40 -1.161 -2.176 4.661 1.00 0.00 C ATOM 619 O ALA A 40 -1.795 -3.148 4.245 1.00 0.00 O ATOM 620 CB ALA A 40 0.067 -1.279 2.632 1.00 0.00 C ATOM 0 H ALA A 40 0.467 -3.831 3.667 1.00 0.00 H new ATOM 0 HA ALA A 40 0.667 -1.045 4.648 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.531 -0.368 2.646 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.058 -1.057 2.237 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.418 -2.021 1.998 1.00 0.00 H new ATOM 626 N LEU A 41 -1.602 -1.389 5.645 1.00 0.00 N ATOM 627 CA LEU A 41 -2.863 -1.577 6.356 1.00 0.00 C ATOM 628 C LEU A 41 -3.749 -0.402 5.996 1.00 0.00 C ATOM 629 O LEU A 41 -3.515 0.710 6.471 1.00 0.00 O ATOM 630 CB LEU A 41 -2.635 -1.649 7.879 1.00 0.00 C ATOM 631 CG LEU A 41 -2.401 -3.053 8.456 1.00 0.00 C ATOM 632 CD1 LEU A 41 -3.688 -3.886 8.483 1.00 0.00 C ATOM 633 CD2 LEU A 41 -1.301 -3.826 7.730 1.00 0.00 C ATOM 0 H LEU A 41 -1.075 -0.581 5.976 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.331 -2.518 6.067 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.775 -1.027 8.128 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.500 -1.212 8.378 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.067 -2.887 9.480 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.475 -4.871 8.899 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.433 -3.385 9.101 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.072 -3.995 7.469 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.186 -4.809 8.186 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.570 -3.942 6.680 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.361 -3.279 7.805 1.00 0.00 H new ATOM 645 N VAL A 42 -4.704 -0.616 5.100 1.00 0.00 N ATOM 646 CA VAL A 42 -5.631 0.415 4.652 1.00 0.00 C ATOM 647 C VAL A 42 -6.742 0.496 5.699 1.00 0.00 C ATOM 648 O VAL A 42 -7.364 -0.522 6.010 1.00 0.00 O ATOM 649 CB VAL A 42 -6.135 0.088 3.235 1.00 0.00 C ATOM 650 CG1 VAL A 42 -6.938 1.257 2.657 1.00 0.00 C ATOM 651 CG2 VAL A 42 -4.957 -0.233 2.292 1.00 0.00 C ATOM 0 H VAL A 42 -4.858 -1.522 4.658 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.159 1.394 4.571 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.781 -0.787 3.312 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.283 1.001 1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.797 1.459 3.296 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.306 2.144 2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.339 -0.461 1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.290 0.628 2.237 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.408 -1.093 2.675 1.00 0.00 H new ATOM 661 N GLU A 43 -6.986 1.699 6.223 1.00 0.00 N ATOM 662 CA GLU A 43 -7.981 1.985 7.254 1.00 0.00 C ATOM 663 C GLU A 43 -9.317 2.491 6.700 1.00 0.00 C ATOM 664 O GLU A 43 -10.281 2.632 7.456 1.00 0.00 O ATOM 665 CB GLU A 43 -7.338 2.981 8.232 1.00 0.00 C ATOM 666 CG GLU A 43 -7.956 2.955 9.634 1.00 0.00 C ATOM 667 CD GLU A 43 -7.038 3.633 10.655 1.00 0.00 C ATOM 668 OE1 GLU A 43 -5.874 3.200 10.815 1.00 0.00 O ATOM 669 OE2 GLU A 43 -7.467 4.611 11.313 1.00 0.00 O ATOM 0 H GLU A 43 -6.475 2.531 5.928 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.250 1.060 7.763 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.273 2.763 8.310 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.429 3.987 7.823 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.922 3.459 9.618 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.140 1.923 9.934 1.00 0.00 H new ATOM 676 N GLY A 44 -9.364 2.813 5.404 1.00 0.00 N ATOM 677 CA GLY A 44 -10.567 3.286 4.729 1.00 0.00 C ATOM 678 C GLY A 44 -11.299 2.114 4.081 1.00 0.00 C ATOM 679 O GLY A 44 -10.890 0.963 4.235 1.00 0.00 O ATOM 0 H GLY A 44 -8.553 2.750 4.789 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.222 3.784 5.443 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.302 4.023 3.971 1.00 0.00 H new ATOM 683 N THR A 45 -12.341 2.411 3.310 1.00 0.00 N ATOM 684 CA THR A 45 -13.174 1.435 2.620 1.00 0.00 C ATOM 685 C THR A 45 -12.798 1.293 1.144 1.00 0.00 C ATOM 686 O THR A 45 -13.568 0.732 0.356 1.00 0.00 O ATOM 687 CB THR A 45 -14.646 1.810 2.833 1.00 0.00 C ATOM 688 OG1 THR A 45 -14.836 3.198 2.643 1.00 0.00 O ATOM 689 CG2 THR A 45 -15.080 1.433 4.249 1.00 0.00 C ATOM 0 H THR A 45 -12.638 3.373 3.144 1.00 0.00 H new ATOM 0 HA THR A 45 -13.003 0.446 3.044 1.00 0.00 H new ATOM 0 HB THR A 45 -15.248 1.264 2.106 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.576 3.678 3.457 1.00 0.00 H new ATOM 0 HG21 THR A 45 -16.126 1.702 4.393 1.00 0.00 H new ATOM 0 HG22 THR A 45 -14.959 0.359 4.393 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.465 1.968 4.973 1.00 0.00 H new ATOM 697 N ALA A 46 -11.627 1.815 0.752 1.00 0.00 N ATOM 698 CA ALA A 46 -11.140 1.738 -0.611 1.00 0.00 C ATOM 699 C ALA A 46 -11.177 0.285 -1.116 1.00 0.00 C ATOM 700 O ALA A 46 -11.040 -0.662 -0.335 1.00 0.00 O ATOM 701 CB ALA A 46 -9.732 2.323 -0.662 1.00 0.00 C ATOM 0 H ALA A 46 -10.995 2.304 1.386 1.00 0.00 H new ATOM 0 HA ALA A 46 -11.783 2.318 -1.272 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.353 2.271 -1.683 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.758 3.363 -0.337 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.077 1.753 -0.003 1.00 0.00 H new ATOM 707 N ASP A 47 -11.348 0.107 -2.423 1.00 0.00 N ATOM 708 CA ASP A 47 -11.438 -1.205 -3.045 1.00 0.00 C ATOM 709 C ASP A 47 -10.064 -1.840 -3.217 1.00 0.00 C ATOM 710 O ASP A 47 -9.128 -1.172 -3.672 1.00 0.00 O ATOM 711 CB ASP A 47 -12.109 -1.129 -4.418 1.00 0.00 C ATOM 712 CG ASP A 47 -13.622 -1.291 -4.354 1.00 0.00 C ATOM 713 OD1 ASP A 47 -14.250 -0.857 -3.358 1.00 0.00 O ATOM 714 OD2 ASP A 47 -14.184 -1.843 -5.326 1.00 0.00 O ATOM 0 H ASP A 47 -11.428 0.879 -3.084 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.041 -1.819 -2.376 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.872 -0.170 -4.879 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.694 -1.904 -5.062 1.00 0.00 H new ATOM 719 N PRO A 48 -9.944 -3.160 -2.990 1.00 0.00 N ATOM 720 CA PRO A 48 -8.677 -3.860 -3.111 1.00 0.00 C ATOM 721 C PRO A 48 -8.059 -3.750 -4.503 1.00 0.00 C ATOM 722 O PRO A 48 -6.858 -3.513 -4.631 1.00 0.00 O ATOM 723 CB PRO A 48 -8.964 -5.316 -2.721 1.00 0.00 C ATOM 724 CG PRO A 48 -10.482 -5.462 -2.767 1.00 0.00 C ATOM 725 CD PRO A 48 -10.973 -4.051 -2.477 1.00 0.00 C ATOM 0 HA PRO A 48 -7.931 -3.410 -2.456 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -8.483 -6.009 -3.411 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.579 -5.538 -1.726 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -10.824 -5.816 -3.740 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -10.841 -6.174 -2.024 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -11.931 -3.863 -2.962 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.123 -3.901 -1.408 1.00 0.00 H new ATOM 733 N LYS A 49 -8.894 -3.876 -5.536 1.00 0.00 N ATOM 734 CA LYS A 49 -8.500 -3.812 -6.937 1.00 0.00 C ATOM 735 C LYS A 49 -7.806 -2.499 -7.290 1.00 0.00 C ATOM 736 O LYS A 49 -6.903 -2.506 -8.119 1.00 0.00 O ATOM 737 CB LYS A 49 -9.737 -4.062 -7.820 1.00 0.00 C ATOM 738 CG LYS A 49 -10.718 -2.874 -7.870 1.00 0.00 C ATOM 739 CD LYS A 49 -12.166 -3.265 -8.174 1.00 0.00 C ATOM 740 CE LYS A 49 -12.782 -4.031 -6.999 1.00 0.00 C ATOM 741 NZ LYS A 49 -14.244 -4.165 -7.119 1.00 0.00 N ATOM 0 H LYS A 49 -9.895 -4.030 -5.412 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.762 -4.592 -7.124 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.408 -4.292 -8.833 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.264 -4.941 -7.449 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.688 -2.353 -6.913 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.378 -2.169 -8.628 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.754 -2.370 -8.378 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.200 -3.881 -9.073 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.333 -5.022 -6.940 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.542 -3.517 -6.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -14.534 -5.110 -6.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -14.708 -3.442 -6.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.524 -4.038 -8.113 1.00 0.00 H new ATOM 755 N ALA A 50 -8.236 -1.386 -6.692 1.00 0.00 N ATOM 756 CA ALA A 50 -7.677 -0.067 -6.945 1.00 0.00 C ATOM 757 C ALA A 50 -6.453 0.205 -6.066 1.00 0.00 C ATOM 758 O ALA A 50 -5.546 0.944 -6.451 1.00 0.00 O ATOM 759 CB ALA A 50 -8.772 0.973 -6.685 1.00 0.00 C ATOM 0 H ALA A 50 -8.994 -1.381 -6.009 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.339 -0.010 -7.980 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.376 1.972 -6.868 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.615 0.789 -7.352 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.105 0.899 -5.650 1.00 0.00 H new ATOM 765 N LEU A 51 -6.436 -0.378 -4.871 1.00 0.00 N ATOM 766 CA LEU A 51 -5.361 -0.226 -3.901 1.00 0.00 C ATOM 767 C LEU A 51 -4.107 -0.900 -4.433 1.00 0.00 C ATOM 768 O LEU A 51 -3.074 -0.243 -4.529 1.00 0.00 O ATOM 769 CB LEU A 51 -5.786 -0.787 -2.538 1.00 0.00 C ATOM 770 CG LEU A 51 -6.792 0.103 -1.785 1.00 0.00 C ATOM 771 CD1 LEU A 51 -7.473 -0.739 -0.703 1.00 0.00 C ATOM 772 CD2 LEU A 51 -6.129 1.336 -1.148 1.00 0.00 C ATOM 0 H LEU A 51 -7.189 -0.984 -4.544 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.141 0.831 -3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.226 -1.774 -2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.899 -0.921 -1.918 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.521 0.475 -2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.189 -0.123 -0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.993 -1.577 -1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.722 -1.118 -0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.884 1.928 -0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.369 1.014 -0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.664 1.941 -1.926 1.00 0.00 H new ATOM 784 N VAL A 52 -4.187 -2.185 -4.789 1.00 0.00 N ATOM 785 CA VAL A 52 -3.043 -2.917 -5.317 1.00 0.00 C ATOM 786 C VAL A 52 -2.524 -2.203 -6.570 1.00 0.00 C ATOM 787 O VAL A 52 -1.323 -1.966 -6.698 1.00 0.00 O ATOM 788 CB VAL A 52 -3.432 -4.397 -5.520 1.00 0.00 C ATOM 789 CG1 VAL A 52 -4.370 -4.700 -6.690 1.00 0.00 C ATOM 790 CG2 VAL A 52 -2.189 -5.268 -5.645 1.00 0.00 C ATOM 0 H VAL A 52 -5.040 -2.739 -4.719 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.208 -2.928 -4.616 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.003 -4.634 -4.622 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.569 -5.771 -6.729 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.308 -4.161 -6.554 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.902 -4.384 -7.623 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.486 -6.307 -5.787 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.598 -4.939 -6.500 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.592 -5.182 -4.737 1.00 0.00 H new ATOM 800 N GLN A 53 -3.446 -1.774 -7.438 1.00 0.00 N ATOM 801 CA GLN A 53 -3.146 -1.076 -8.671 1.00 0.00 C ATOM 802 C GLN A 53 -2.313 0.168 -8.408 1.00 0.00 C ATOM 803 O GLN A 53 -1.250 0.319 -9.003 1.00 0.00 O ATOM 804 CB GLN A 53 -4.457 -0.722 -9.386 1.00 0.00 C ATOM 805 CG GLN A 53 -4.201 -0.099 -10.767 1.00 0.00 C ATOM 806 CD GLN A 53 -5.475 0.138 -11.573 1.00 0.00 C ATOM 807 OE1 GLN A 53 -5.540 -0.197 -12.751 1.00 0.00 O ATOM 808 NE2 GLN A 53 -6.490 0.758 -10.994 1.00 0.00 N ATOM 0 H GLN A 53 -4.446 -1.911 -7.289 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.555 -1.729 -9.314 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.064 -1.620 -9.499 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.029 -0.026 -8.773 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.680 0.850 -10.638 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.538 -0.752 -11.334 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.427 1.033 -10.014 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.335 0.961 -11.528 1.00 0.00 H new ATOM 817 N ALA A 54 -2.763 1.041 -7.502 1.00 0.00 N ATOM 818 CA ALA A 54 -2.060 2.274 -7.194 1.00 0.00 C ATOM 819 C ALA A 54 -0.602 2.063 -6.776 1.00 0.00 C ATOM 820 O ALA A 54 0.186 2.996 -6.933 1.00 0.00 O ATOM 821 CB ALA A 54 -2.824 3.043 -6.112 1.00 0.00 C ATOM 0 H ALA A 54 -3.621 0.907 -6.968 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.023 2.856 -8.115 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.296 3.968 -5.881 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.826 3.277 -6.471 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.895 2.432 -5.212 1.00 0.00 H new ATOM 827 N VAL A 55 -0.243 0.899 -6.228 1.00 0.00 N ATOM 828 CA VAL A 55 1.122 0.594 -5.813 1.00 0.00 C ATOM 829 C VAL A 55 1.906 0.104 -7.032 1.00 0.00 C ATOM 830 O VAL A 55 3.064 0.491 -7.202 1.00 0.00 O ATOM 831 CB VAL A 55 1.110 -0.428 -4.661 1.00 0.00 C ATOM 832 CG1 VAL A 55 2.526 -0.760 -4.178 1.00 0.00 C ATOM 833 CG2 VAL A 55 0.321 0.135 -3.474 1.00 0.00 C ATOM 0 H VAL A 55 -0.900 0.137 -6.060 1.00 0.00 H new ATOM 0 HA VAL A 55 1.618 1.486 -5.430 1.00 0.00 H new ATOM 0 HB VAL A 55 0.645 -1.337 -5.042 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.473 -1.484 -3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.102 -1.181 -5.002 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.012 0.149 -3.823 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.316 -0.593 -2.662 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.789 1.058 -3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.704 0.341 -3.783 1.00 0.00 H new ATOM 843 N GLU A 56 1.298 -0.724 -7.888 1.00 0.00 N ATOM 844 CA GLU A 56 1.973 -1.214 -9.082 1.00 0.00 C ATOM 845 C GLU A 56 2.290 -0.039 -10.010 1.00 0.00 C ATOM 846 O GLU A 56 3.375 0.000 -10.590 1.00 0.00 O ATOM 847 CB GLU A 56 1.160 -2.299 -9.797 1.00 0.00 C ATOM 848 CG GLU A 56 1.105 -3.614 -9.004 1.00 0.00 C ATOM 849 CD GLU A 56 0.735 -4.782 -9.921 1.00 0.00 C ATOM 850 OE1 GLU A 56 -0.348 -4.724 -10.551 1.00 0.00 O ATOM 851 OE2 GLU A 56 1.553 -5.725 -10.041 1.00 0.00 O ATOM 0 H GLU A 56 0.344 -1.065 -7.772 1.00 0.00 H new ATOM 0 HA GLU A 56 2.909 -1.685 -8.781 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.146 -1.937 -9.964 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.597 -2.488 -10.778 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.071 -3.804 -8.537 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.373 -3.530 -8.200 1.00 0.00 H new ATOM 858 N GLU A 57 1.399 0.957 -10.102 1.00 0.00 N ATOM 859 CA GLU A 57 1.604 2.134 -10.945 1.00 0.00 C ATOM 860 C GLU A 57 2.834 2.941 -10.492 1.00 0.00 C ATOM 861 O GLU A 57 3.388 3.710 -11.276 1.00 0.00 O ATOM 862 CB GLU A 57 0.336 3.011 -10.998 1.00 0.00 C ATOM 863 CG GLU A 57 -0.857 2.288 -11.652 1.00 0.00 C ATOM 864 CD GLU A 57 -1.840 3.224 -12.354 1.00 0.00 C ATOM 865 OE1 GLU A 57 -1.478 3.882 -13.355 1.00 0.00 O ATOM 866 OE2 GLU A 57 -3.035 3.285 -11.981 1.00 0.00 O ATOM 0 H GLU A 57 0.516 0.966 -9.592 1.00 0.00 H new ATOM 0 HA GLU A 57 1.802 1.785 -11.959 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.064 3.311 -9.986 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.553 3.923 -11.554 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.479 1.565 -12.375 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.391 1.724 -10.887 1.00 0.00 H new ATOM 873 N GLU A 58 3.308 2.777 -9.254 1.00 0.00 N ATOM 874 CA GLU A 58 4.473 3.484 -8.742 1.00 0.00 C ATOM 875 C GLU A 58 5.768 2.734 -9.089 1.00 0.00 C ATOM 876 O GLU A 58 6.855 3.254 -8.831 1.00 0.00 O ATOM 877 CB GLU A 58 4.362 3.609 -7.222 1.00 0.00 C ATOM 878 CG GLU A 58 3.205 4.462 -6.710 1.00 0.00 C ATOM 879 CD GLU A 58 3.474 5.948 -6.834 1.00 0.00 C ATOM 880 OE1 GLU A 58 4.287 6.439 -6.021 1.00 0.00 O ATOM 881 OE2 GLU A 58 2.845 6.621 -7.691 1.00 0.00 O ATOM 0 H GLU A 58 2.886 2.142 -8.576 1.00 0.00 H new ATOM 0 HA GLU A 58 4.506 4.471 -9.203 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.266 2.609 -6.800 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.294 4.028 -6.841 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.301 4.213 -7.266 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.013 4.218 -5.665 1.00 0.00 H new ATOM 888 N GLY A 59 5.692 1.539 -9.684 1.00 0.00 N ATOM 889 CA GLY A 59 6.850 0.723 -10.050 1.00 0.00 C ATOM 890 C GLY A 59 7.193 -0.331 -8.998 1.00 0.00 C ATOM 891 O GLY A 59 8.312 -0.850 -8.994 1.00 0.00 O ATOM 0 H GLY A 59 4.803 1.104 -9.929 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.653 0.229 -11.001 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.712 1.372 -10.201 1.00 0.00 H new ATOM 895 N TYR A 60 6.295 -0.576 -8.046 1.00 0.00 N ATOM 896 CA TYR A 60 6.465 -1.566 -6.990 1.00 0.00 C ATOM 897 C TYR A 60 5.562 -2.747 -7.338 1.00 0.00 C ATOM 898 O TYR A 60 4.933 -2.764 -8.395 1.00 0.00 O ATOM 899 CB TYR A 60 6.141 -0.938 -5.627 1.00 0.00 C ATOM 900 CG TYR A 60 7.106 0.168 -5.255 1.00 0.00 C ATOM 901 CD1 TYR A 60 6.889 1.466 -5.741 1.00 0.00 C ATOM 902 CD2 TYR A 60 8.257 -0.110 -4.500 1.00 0.00 C ATOM 903 CE1 TYR A 60 7.805 2.499 -5.487 1.00 0.00 C ATOM 904 CE2 TYR A 60 9.194 0.909 -4.249 1.00 0.00 C ATOM 905 CZ TYR A 60 8.973 2.217 -4.740 1.00 0.00 C ATOM 906 OH TYR A 60 9.897 3.187 -4.493 1.00 0.00 O ATOM 0 H TYR A 60 5.407 -0.078 -7.988 1.00 0.00 H new ATOM 0 HA TYR A 60 7.494 -1.918 -6.918 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.127 -0.540 -5.646 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.166 -1.711 -4.859 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.002 1.674 -6.321 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.423 -1.104 -4.113 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.620 3.497 -5.857 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.085 0.692 -3.679 1.00 0.00 H new ATOM 0 HH TYR A 60 10.420 2.946 -3.700 1.00 0.00 H new ATOM 916 N LYS A 61 5.519 -3.761 -6.482 1.00 0.00 N ATOM 917 CA LYS A 61 4.678 -4.928 -6.697 1.00 0.00 C ATOM 918 C LYS A 61 3.849 -5.088 -5.450 1.00 0.00 C ATOM 919 O LYS A 61 4.384 -4.918 -4.350 1.00 0.00 O ATOM 920 CB LYS A 61 5.519 -6.178 -6.945 1.00 0.00 C ATOM 921 CG LYS A 61 6.251 -6.124 -8.292 1.00 0.00 C ATOM 922 CD LYS A 61 6.893 -7.479 -8.613 1.00 0.00 C ATOM 923 CE LYS A 61 5.852 -8.577 -8.860 1.00 0.00 C ATOM 924 NZ LYS A 61 5.026 -8.322 -10.056 1.00 0.00 N ATOM 0 H LYS A 61 6.066 -3.796 -5.622 1.00 0.00 H new ATOM 0 HA LYS A 61 4.051 -4.795 -7.579 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.247 -6.290 -6.142 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.876 -7.058 -6.917 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.551 -5.851 -9.082 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.018 -5.350 -8.264 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.526 -7.378 -9.495 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.540 -7.775 -7.788 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.360 -9.535 -8.972 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.204 -8.660 -7.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.447 -9.161 -10.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.404 -7.507 -9.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.644 -8.118 -10.868 1.00 0.00 H new ATOM 938 N ALA A 62 2.564 -5.389 -5.606 1.00 0.00 N ATOM 939 CA ALA A 62 1.676 -5.580 -4.480 1.00 0.00 C ATOM 940 C ALA A 62 0.674 -6.690 -4.779 1.00 0.00 C ATOM 941 O ALA A 62 0.482 -7.043 -5.943 1.00 0.00 O ATOM 942 CB ALA A 62 0.982 -4.249 -4.157 1.00 0.00 C ATOM 0 H ALA A 62 2.117 -5.506 -6.515 1.00 0.00 H new ATOM 0 HA ALA A 62 2.244 -5.891 -3.603 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.311 -4.385 -3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.732 -3.498 -3.909 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.410 -3.918 -5.023 1.00 0.00 H new ATOM 948 N GLU A 63 0.034 -7.231 -3.742 1.00 0.00 N ATOM 949 CA GLU A 63 -0.979 -8.274 -3.832 1.00 0.00 C ATOM 950 C GLU A 63 -1.851 -8.197 -2.577 1.00 0.00 C ATOM 951 O GLU A 63 -1.372 -7.936 -1.469 1.00 0.00 O ATOM 952 CB GLU A 63 -0.381 -9.664 -4.093 1.00 0.00 C ATOM 953 CG GLU A 63 0.582 -10.218 -3.039 1.00 0.00 C ATOM 954 CD GLU A 63 1.331 -11.455 -3.552 1.00 0.00 C ATOM 955 OE1 GLU A 63 0.744 -12.282 -4.296 1.00 0.00 O ATOM 956 OE2 GLU A 63 2.537 -11.586 -3.250 1.00 0.00 O ATOM 0 H GLU A 63 0.217 -6.941 -2.781 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.610 -8.104 -4.704 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.203 -10.371 -4.205 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.144 -9.633 -5.048 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.300 -9.447 -2.760 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.026 -10.476 -2.138 1.00 0.00 H new ATOM 963 N VAL A 64 -3.159 -8.357 -2.761 1.00 0.00 N ATOM 964 CA VAL A 64 -4.155 -8.298 -1.700 1.00 0.00 C ATOM 965 C VAL A 64 -4.186 -9.654 -1.015 1.00 0.00 C ATOM 966 O VAL A 64 -4.520 -10.653 -1.649 1.00 0.00 O ATOM 967 CB VAL A 64 -5.529 -7.947 -2.312 1.00 0.00 C ATOM 968 CG1 VAL A 64 -6.651 -7.784 -1.268 1.00 0.00 C ATOM 969 CG2 VAL A 64 -5.431 -6.664 -3.156 1.00 0.00 C ATOM 0 H VAL A 64 -3.565 -8.536 -3.680 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.909 -7.530 -0.967 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.798 -8.797 -2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.585 -7.538 -1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.772 -8.716 -0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.391 -6.983 -0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -6.408 -6.432 -3.580 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.103 -5.838 -2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -4.712 -6.813 -3.962 1.00 0.00 H new ATOM 979 N LEU A 65 -3.890 -9.700 0.283 1.00 0.00 N ATOM 980 CA LEU A 65 -3.901 -10.945 1.052 1.00 0.00 C ATOM 981 C LEU A 65 -5.323 -11.341 1.492 1.00 0.00 C ATOM 982 O LEU A 65 -5.482 -12.021 2.508 1.00 0.00 O ATOM 983 CB LEU A 65 -2.939 -10.823 2.250 1.00 0.00 C ATOM 984 CG LEU A 65 -1.455 -10.680 1.869 1.00 0.00 C ATOM 985 CD1 LEU A 65 -0.633 -10.658 3.160 1.00 0.00 C ATOM 986 CD2 LEU A 65 -0.945 -11.823 0.982 1.00 0.00 C ATOM 0 H LEU A 65 -3.636 -8.878 0.831 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.551 -11.752 0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.232 -9.960 2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.055 -11.703 2.883 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.349 -9.759 1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.425 -10.557 2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.945 -9.815 3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.792 -11.586 3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.108 -11.661 0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.059 -12.771 1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.521 -11.850 0.057 1.00 0.00 H new ATOM 998 N ALA A 66 -6.369 -10.876 0.804 1.00 0.00 N ATOM 999 CA ALA A 66 -7.774 -11.153 1.082 1.00 0.00 C ATOM 1000 C ALA A 66 -8.407 -11.798 -0.137 1.00 0.00 C ATOM 1001 O ALA A 66 -7.926 -11.560 -1.268 1.00 0.00 O ATOM 1002 CB ALA A 66 -8.500 -9.858 1.465 1.00 0.00 C ATOM 0 H ALA A 66 -6.248 -10.265 -0.003 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.856 -11.842 1.923 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.548 -10.076 1.671 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.037 -9.431 2.354 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.432 -9.146 0.643 1.00 0.00 H new