USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 662 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 14 LYS NZ :NH3+ -164:sc= 0.689 (180deg=-0.0344) USER MOD Set 1.2: A 82 THR OG1 : rot -114:sc= 1.49 USER MOD Set 2.1: A 74 GLN : amide:sc= -2.47! C(o=-1.2!,f=-2.7!) USER MOD Set 2.2: A 78 THR OG1 : rot 72:sc= 1.22 USER MOD Single : A 15 ASN : amide:sc= -0.227 K(o=-0.23,f=-1.7) USER MOD Single : A 17 ASN : amide:sc= -0.151 K(o=-0.15,f=-3.2!) USER MOD Single : A 18 SER OG : rot 62:sc= 0.0397 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.247 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.26) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0.00745 USER MOD Single : A 33 HIS : no HD1:sc= -1.84 K(o=-1.8,f=0.12) USER MOD Single : A 37 TYR OH : rot 180:sc= 0.158 USER MOD Single : A 39 LYS NZ :NH3+ -172:sc= -0.0162 (180deg=-0.108) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= -0.0101 X(o=-0.01,f=-0.01) USER MOD Single : A 55 LYS NZ :NH3+ -173:sc= -0.0107 (180deg=-0.0862) USER MOD Single : A 63 ASN : amide:sc= -0.271 X(o=-0.27,f=-0.29) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.194 USER MOD Single : A 72 HIS : no HD1:sc= -2.36 K(o=-2.4,f=-1.4) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 58:sc= 0.0544 USER MOD Single : A 81 ASN : amide:sc=-0.00794 X(o=-0.0079,f=-0.014) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 92 LYS NZ :NH3+ -158:sc= 1.32 (180deg=1.14) USER MOD ----------------------------------------------------------------- ATOM 60 N GLY A 5 -6.746 -9.136 -9.622 1.00 25.40 N ATOM 61 CA GLY A 5 -5.327 -9.453 -9.661 1.00 54.24 C ATOM 62 C GLY A 5 -4.628 -8.495 -10.587 1.00 33.23 C ATOM 63 O GLY A 5 -3.466 -8.713 -10.952 1.00 74.54 O ATOM 0 HA2 GLY A 5 -4.900 -9.386 -8.660 1.00 54.24 H new ATOM 0 HA3 GLY A 5 -5.181 -10.478 -10.002 1.00 54.24 H new ATOM 67 N ASP A 6 -5.326 -7.412 -10.996 1.00 3.13 N ATOM 68 CA ASP A 6 -4.751 -6.454 -11.928 1.00 52.22 C ATOM 69 C ASP A 6 -3.869 -5.546 -11.134 1.00 25.32 C ATOM 70 O ASP A 6 -4.173 -5.222 -9.975 1.00 32.25 O ATOM 71 CB ASP A 6 -5.801 -5.575 -12.657 1.00 53.22 C ATOM 72 CG ASP A 6 -5.191 -4.880 -13.878 1.00 24.21 C ATOM 73 OD1 ASP A 6 -4.010 -5.156 -14.240 1.00 44.23 O ATOM 74 OD2 ASP A 6 -5.905 -4.078 -14.506 1.00 61.41 O ATOM 0 H ASP A 6 -6.275 -7.193 -10.692 1.00 3.13 H new ATOM 0 HA ASP A 6 -4.223 -7.019 -12.697 1.00 52.22 H new ATOM 0 HB2 ASP A 6 -6.642 -6.193 -12.970 1.00 53.22 H new ATOM 0 HB3 ASP A 6 -6.194 -4.827 -11.968 1.00 53.22 H new ATOM 79 N ILE A 7 -2.754 -5.155 -11.741 1.00 23.34 N ATOM 80 CA ILE A 7 -1.794 -4.317 -11.133 1.00 61.30 C ATOM 81 C ILE A 7 -2.079 -2.938 -11.634 1.00 14.41 C ATOM 82 O ILE A 7 -2.270 -2.742 -12.839 1.00 71.43 O ATOM 83 CB ILE A 7 -0.392 -4.692 -11.584 1.00 71.34 C ATOM 84 CG1 ILE A 7 -0.189 -6.226 -11.585 1.00 32.40 C ATOM 85 CG2 ILE A 7 0.643 -3.870 -10.797 1.00 51.14 C ATOM 86 CD1 ILE A 7 -0.250 -6.829 -10.235 1.00 54.32 C ATOM 0 H ILE A 7 -2.511 -5.433 -12.692 1.00 23.34 H new ATOM 0 HA ILE A 7 -1.847 -4.401 -10.048 1.00 61.30 H new ATOM 0 HB ILE A 7 -0.239 -4.420 -12.628 1.00 71.34 H new ATOM 0 HG12 ILE A 7 -0.951 -6.685 -12.214 1.00 32.40 H new ATOM 0 HG13 ILE A 7 0.777 -6.457 -12.034 1.00 32.40 H new ATOM 0 HG21 ILE A 7 1.647 -4.141 -11.123 1.00 51.14 H new ATOM 0 HG22 ILE A 7 0.478 -2.808 -10.978 1.00 51.14 H new ATOM 0 HG23 ILE A 7 0.539 -4.077 -9.732 1.00 51.14 H new ATOM 0 HD11 ILE A 7 -0.100 -7.906 -10.310 1.00 54.32 H new ATOM 0 HD12 ILE A 7 0.530 -6.397 -9.608 1.00 54.32 H new ATOM 0 HD13 ILE A 7 -1.225 -6.629 -9.791 1.00 54.32 H new ATOM 98 N PHE A 8 -2.125 -1.946 -10.742 1.00 54.41 N ATOM 99 CA PHE A 8 -2.315 -0.600 -11.205 1.00 43.44 C ATOM 100 C PHE A 8 -1.530 0.318 -10.353 1.00 54.21 C ATOM 101 O PHE A 8 -1.176 -0.006 -9.224 1.00 53.13 O ATOM 102 CB PHE A 8 -3.801 -0.096 -11.339 1.00 41.34 C ATOM 103 CG PHE A 8 -4.620 -0.338 -10.088 1.00 22.40 C ATOM 104 CD1 PHE A 8 -4.921 -1.654 -9.650 1.00 54.30 C ATOM 105 CD2 PHE A 8 -5.178 0.754 -9.377 1.00 64.21 C ATOM 106 CE1 PHE A 8 -5.727 -1.865 -8.525 1.00 73.33 C ATOM 107 CE2 PHE A 8 -6.006 0.533 -8.258 1.00 4.33 C ATOM 108 CZ PHE A 8 -6.273 -0.776 -7.833 1.00 2.31 C ATOM 0 H PHE A 8 -2.035 -2.057 -9.732 1.00 54.41 H new ATOM 0 HA PHE A 8 -1.960 -0.605 -12.236 1.00 43.44 H new ATOM 0 HB2 PHE A 8 -3.799 0.970 -11.565 1.00 41.34 H new ATOM 0 HB3 PHE A 8 -4.276 -0.600 -12.181 1.00 41.34 H new ATOM 0 HD1 PHE A 8 -4.524 -2.501 -10.190 1.00 54.30 H new ATOM 0 HD2 PHE A 8 -4.967 1.764 -9.695 1.00 64.21 H new ATOM 0 HE1 PHE A 8 -5.929 -2.871 -8.189 1.00 73.33 H new ATOM 0 HE2 PHE A 8 -6.434 1.371 -7.729 1.00 4.33 H new ATOM 0 HZ PHE A 8 -6.901 -0.945 -6.971 1.00 2.31 H new ATOM 118 N GLU A 9 -1.207 1.495 -10.929 1.00 42.44 N ATOM 119 CA GLU A 9 -0.434 2.492 -10.249 1.00 73.24 C ATOM 120 C GLU A 9 -1.402 3.518 -9.830 1.00 14.03 C ATOM 121 O GLU A 9 -2.331 3.858 -10.589 1.00 21.01 O ATOM 122 CB GLU A 9 0.573 3.239 -11.186 1.00 33.42 C ATOM 123 CG GLU A 9 1.580 2.332 -11.915 1.00 74.21 C ATOM 124 CD GLU A 9 2.423 3.196 -12.839 1.00 71.05 C ATOM 125 OE1 GLU A 9 2.958 4.224 -12.368 1.00 63.32 O ATOM 126 OE2 GLU A 9 2.547 2.855 -14.048 1.00 34.41 O ATOM 0 H GLU A 9 -1.485 1.756 -11.875 1.00 42.44 H new ATOM 0 HA GLU A 9 0.127 2.007 -9.450 1.00 73.24 H new ATOM 0 HB2 GLU A 9 0.006 3.799 -11.930 1.00 33.42 H new ATOM 0 HB3 GLU A 9 1.126 3.967 -10.593 1.00 33.42 H new ATOM 0 HG2 GLU A 9 2.215 1.815 -11.195 1.00 74.21 H new ATOM 0 HG3 GLU A 9 1.056 1.566 -12.486 1.00 74.21 H new ATOM 133 N VAL A 10 -1.206 4.071 -8.638 1.00 10.21 N ATOM 134 CA VAL A 10 -1.993 5.169 -8.209 1.00 33.23 C ATOM 135 C VAL A 10 -1.051 6.064 -7.492 1.00 71.34 C ATOM 136 O VAL A 10 -0.071 5.607 -6.878 1.00 61.32 O ATOM 137 CB VAL A 10 -3.182 4.808 -7.313 1.00 2.32 C ATOM 138 CG1 VAL A 10 -4.116 3.894 -8.134 1.00 53.12 C ATOM 139 CG2 VAL A 10 -2.666 4.155 -6.003 1.00 13.03 C ATOM 0 H VAL A 10 -0.503 3.760 -7.968 1.00 10.21 H new ATOM 0 HA VAL A 10 -2.463 5.631 -9.077 1.00 33.23 H new ATOM 0 HB VAL A 10 -3.750 5.686 -7.005 1.00 2.32 H new ATOM 0 HG11 VAL A 10 -4.977 3.615 -7.527 1.00 53.12 H new ATOM 0 HG12 VAL A 10 -4.455 4.425 -9.023 1.00 53.12 H new ATOM 0 HG13 VAL A 10 -3.576 2.995 -8.432 1.00 53.12 H new ATOM 0 HG21 VAL A 10 -3.513 3.899 -5.366 1.00 13.03 H new ATOM 0 HG22 VAL A 10 -2.106 3.251 -6.243 1.00 13.03 H new ATOM 0 HG23 VAL A 10 -2.017 4.856 -5.478 1.00 13.03 H new ATOM 149 N GLU A 11 -1.293 7.357 -7.607 1.00 62.33 N ATOM 150 CA GLU A 11 -0.512 8.314 -6.906 1.00 55.20 C ATOM 151 C GLU A 11 -1.417 8.875 -5.866 1.00 24.14 C ATOM 152 O GLU A 11 -2.553 9.263 -6.160 1.00 53.13 O ATOM 153 CB GLU A 11 0.067 9.426 -7.799 1.00 50.24 C ATOM 154 CG GLU A 11 -0.947 10.134 -8.704 1.00 62.33 C ATOM 155 CD GLU A 11 -0.179 11.157 -9.495 1.00 10.33 C ATOM 156 OE1 GLU A 11 0.485 12.008 -8.861 1.00 40.20 O ATOM 157 OE2 GLU A 11 -0.213 11.104 -10.739 1.00 11.13 O ATOM 0 H GLU A 11 -2.033 7.753 -8.187 1.00 62.33 H new ATOM 0 HA GLU A 11 0.370 7.834 -6.483 1.00 55.20 H new ATOM 0 HB2 GLU A 11 0.542 10.171 -7.161 1.00 50.24 H new ATOM 0 HB3 GLU A 11 0.850 8.996 -8.424 1.00 50.24 H new ATOM 0 HG2 GLU A 11 -1.438 9.421 -9.367 1.00 62.33 H new ATOM 0 HG3 GLU A 11 -1.729 10.610 -8.112 1.00 62.33 H new ATOM 164 N LEU A 12 -0.970 8.838 -4.614 1.00 21.54 N ATOM 165 CA LEU A 12 -1.806 9.260 -3.533 1.00 64.40 C ATOM 166 C LEU A 12 -0.994 10.102 -2.674 1.00 74.44 C ATOM 167 O LEU A 12 0.177 9.821 -2.425 1.00 24.12 O ATOM 168 CB LEU A 12 -2.352 8.099 -2.676 1.00 51.01 C ATOM 169 CG LEU A 12 -3.467 7.341 -3.361 1.00 41.42 C ATOM 170 CD1 LEU A 12 -3.792 6.108 -2.589 1.00 61.20 C ATOM 171 CD2 LEU A 12 -4.711 8.213 -3.604 1.00 11.13 C ATOM 0 H LEU A 12 -0.040 8.521 -4.341 1.00 21.54 H new ATOM 0 HA LEU A 12 -2.669 9.770 -3.961 1.00 64.40 H new ATOM 0 HB2 LEU A 12 -1.539 7.411 -2.444 1.00 51.01 H new ATOM 0 HB3 LEU A 12 -2.716 8.493 -1.727 1.00 51.01 H new ATOM 0 HG LEU A 12 -3.115 7.048 -4.350 1.00 41.42 H new ATOM 0 HD11 LEU A 12 -4.596 5.567 -3.088 1.00 61.20 H new ATOM 0 HD12 LEU A 12 -2.909 5.472 -2.530 1.00 61.20 H new ATOM 0 HD13 LEU A 12 -4.109 6.382 -1.583 1.00 61.20 H new ATOM 0 HD21 LEU A 12 -5.480 7.620 -4.098 1.00 11.13 H new ATOM 0 HD22 LEU A 12 -5.091 8.578 -2.650 1.00 11.13 H new ATOM 0 HD23 LEU A 12 -4.444 9.060 -4.236 1.00 11.13 H new ATOM 183 N ALA A 13 -1.607 11.179 -2.193 1.00 70.13 N ATOM 184 CA ALA A 13 -0.944 12.051 -1.290 1.00 12.03 C ATOM 185 C ALA A 13 -1.135 11.449 0.047 1.00 44.21 C ATOM 186 O ALA A 13 -2.086 10.729 0.281 1.00 71.25 O ATOM 187 CB ALA A 13 -1.514 13.486 -1.250 1.00 1.23 C ATOM 0 H ALA A 13 -2.562 11.450 -2.426 1.00 70.13 H new ATOM 0 HA ALA A 13 0.094 12.150 -1.606 1.00 12.03 H new ATOM 0 HB1 ALA A 13 -0.948 14.082 -0.534 1.00 1.23 H new ATOM 0 HB2 ALA A 13 -1.436 13.936 -2.240 1.00 1.23 H new ATOM 0 HB3 ALA A 13 -2.561 13.453 -0.948 1.00 1.23 H new ATOM 193 N LYS A 14 -0.218 11.707 0.943 1.00 23.41 N ATOM 194 CA LYS A 14 -0.400 11.307 2.321 1.00 44.54 C ATOM 195 C LYS A 14 -1.358 12.292 2.950 1.00 22.32 C ATOM 196 O LYS A 14 -2.126 11.929 3.820 1.00 62.45 O ATOM 197 CB LYS A 14 0.922 11.280 3.097 1.00 35.22 C ATOM 198 CG LYS A 14 1.833 10.141 2.603 1.00 1.45 C ATOM 199 CD LYS A 14 3.257 10.172 3.161 1.00 2.42 C ATOM 200 CE LYS A 14 4.101 11.319 2.581 1.00 23.42 C ATOM 201 NZ LYS A 14 5.521 11.175 2.958 1.00 61.10 N ATOM 0 H LYS A 14 0.659 12.190 0.749 1.00 23.41 H new ATOM 0 HA LYS A 14 -0.795 10.292 2.355 1.00 44.54 H new ATOM 0 HB2 LYS A 14 1.434 12.235 2.982 1.00 35.22 H new ATOM 0 HB3 LYS A 14 0.720 11.153 4.161 1.00 35.22 H new ATOM 0 HG2 LYS A 14 1.375 9.188 2.867 1.00 1.45 H new ATOM 0 HG3 LYS A 14 1.883 10.180 1.515 1.00 1.45 H new ATOM 0 HD2 LYS A 14 3.215 10.271 4.246 1.00 2.42 H new ATOM 0 HD3 LYS A 14 3.747 9.222 2.946 1.00 2.42 H new ATOM 0 HE2 LYS A 14 4.009 11.330 1.495 1.00 23.42 H new ATOM 0 HE3 LYS A 14 3.720 12.274 2.943 1.00 23.42 H new ATOM 0 HZ1 LYS A 14 6.016 12.075 2.797 1.00 61.10 H new ATOM 0 HZ2 LYS A 14 5.589 10.918 3.963 1.00 61.10 H new ATOM 0 HZ3 LYS A 14 5.960 10.430 2.380 1.00 61.10 H new ATOM 215 N ASN A 15 -1.352 13.542 2.422 1.00 20.24 N ATOM 216 CA ASN A 15 -2.253 14.623 2.838 1.00 73.41 C ATOM 217 C ASN A 15 -1.693 15.243 4.087 1.00 35.54 C ATOM 218 O ASN A 15 -1.749 14.660 5.177 1.00 31.05 O ATOM 219 CB ASN A 15 -3.757 14.238 3.038 1.00 72.13 C ATOM 220 CG ASN A 15 -4.589 15.516 3.243 1.00 73.44 C ATOM 221 OD1 ASN A 15 -4.426 16.230 4.229 1.00 35.22 O ATOM 222 ND2 ASN A 15 -5.502 15.810 2.303 1.00 73.43 N ATOM 0 H ASN A 15 -0.706 13.822 1.683 1.00 20.24 H new ATOM 0 HA ASN A 15 -2.285 15.326 2.005 1.00 73.41 H new ATOM 0 HB2 ASN A 15 -4.122 13.689 2.170 1.00 72.13 H new ATOM 0 HB3 ASN A 15 -3.864 13.579 3.900 1.00 72.13 H new ATOM 0 HD21 ASN A 15 -6.081 16.644 2.398 1.00 73.43 H new ATOM 0 HD22 ASN A 15 -5.616 15.199 1.494 1.00 73.43 H new ATOM 229 N ASP A 16 -1.096 16.461 3.928 1.00 41.42 N ATOM 230 CA ASP A 16 -0.392 17.175 5.016 1.00 22.51 C ATOM 231 C ASP A 16 0.692 16.267 5.516 1.00 43.02 C ATOM 232 O ASP A 16 0.926 16.149 6.722 1.00 52.34 O ATOM 233 CB ASP A 16 -1.288 17.647 6.204 1.00 5.01 C ATOM 234 CG ASP A 16 -2.248 18.732 5.727 1.00 43.13 C ATOM 235 OD1 ASP A 16 -2.188 19.133 4.530 1.00 3.24 O ATOM 236 OD2 ASP A 16 -3.066 19.209 6.545 1.00 62.42 O ATOM 0 H ASP A 16 -1.094 16.966 3.042 1.00 41.42 H new ATOM 0 HA ASP A 16 -0.006 18.102 4.592 1.00 22.51 H new ATOM 0 HB2 ASP A 16 -1.849 16.803 6.606 1.00 5.01 H new ATOM 0 HB3 ASP A 16 -0.665 18.030 7.012 1.00 5.01 H new ATOM 241 N ASN A 17 1.363 15.610 4.525 1.00 20.30 N ATOM 242 CA ASN A 17 2.405 14.558 4.679 1.00 64.21 C ATOM 243 C ASN A 17 2.112 13.490 5.735 1.00 22.33 C ATOM 244 O ASN A 17 2.935 12.606 5.931 1.00 65.01 O ATOM 245 CB ASN A 17 3.848 15.090 4.872 1.00 41.44 C ATOM 246 CG ASN A 17 4.327 15.646 3.535 1.00 43.20 C ATOM 247 OD1 ASN A 17 4.556 14.890 2.595 1.00 22.11 O ATOM 248 ND2 ASN A 17 4.472 16.980 3.431 1.00 55.22 N ATOM 0 H ASN A 17 1.178 15.814 3.543 1.00 20.30 H new ATOM 0 HA ASN A 17 2.351 14.075 3.703 1.00 64.21 H new ATOM 0 HB2 ASN A 17 3.869 15.866 5.637 1.00 41.44 H new ATOM 0 HB3 ASN A 17 4.507 14.291 5.211 1.00 41.44 H new ATOM 0 HD21 ASN A 17 4.781 17.392 2.551 1.00 55.22 H new ATOM 0 HD22 ASN A 17 4.273 17.579 4.232 1.00 55.22 H new ATOM 255 N SER A 18 0.969 13.512 6.413 1.00 44.25 N ATOM 256 CA SER A 18 0.724 12.552 7.440 1.00 31.44 C ATOM 257 C SER A 18 -0.148 11.504 6.863 1.00 15.15 C ATOM 258 O SER A 18 -1.303 11.750 6.555 1.00 25.02 O ATOM 259 CB SER A 18 -0.022 13.152 8.648 1.00 14.32 C ATOM 260 OG SER A 18 0.781 14.160 9.271 1.00 63.12 O ATOM 0 H SER A 18 0.216 14.183 6.260 1.00 44.25 H new ATOM 0 HA SER A 18 1.686 12.174 7.787 1.00 31.44 H new ATOM 0 HB2 SER A 18 -0.970 13.581 8.323 1.00 14.32 H new ATOM 0 HB3 SER A 18 -0.256 12.367 9.367 1.00 14.32 H new ATOM 0 HG SER A 18 0.948 14.886 8.634 1.00 63.12 H new ATOM 266 N LEU A 19 0.380 10.278 6.754 1.00 2.51 N ATOM 267 CA LEU A 19 -0.446 9.155 6.421 1.00 40.51 C ATOM 268 C LEU A 19 -0.922 8.631 7.737 1.00 44.54 C ATOM 269 O LEU A 19 -0.683 9.251 8.781 1.00 4.13 O ATOM 270 CB LEU A 19 0.273 8.019 5.614 1.00 70.32 C ATOM 271 CG LEU A 19 1.464 7.284 6.318 1.00 52.10 C ATOM 272 CD1 LEU A 19 1.944 6.076 5.492 1.00 72.44 C ATOM 273 CD2 LEU A 19 2.642 8.198 6.713 1.00 21.24 C ATOM 0 H LEU A 19 1.367 10.059 6.893 1.00 2.51 H new ATOM 0 HA LEU A 19 -1.244 9.480 5.754 1.00 40.51 H new ATOM 0 HB2 LEU A 19 -0.473 7.272 5.345 1.00 70.32 H new ATOM 0 HB3 LEU A 19 0.644 8.449 4.683 1.00 70.32 H new ATOM 0 HG LEU A 19 1.056 6.925 7.263 1.00 52.10 H new ATOM 0 HD11 LEU A 19 2.771 5.588 6.008 1.00 72.44 H new ATOM 0 HD12 LEU A 19 1.124 5.369 5.371 1.00 72.44 H new ATOM 0 HD13 LEU A 19 2.278 6.415 4.511 1.00 72.44 H new ATOM 0 HD21 LEU A 19 3.419 7.603 7.193 1.00 21.24 H new ATOM 0 HD22 LEU A 19 3.049 8.673 5.820 1.00 21.24 H new ATOM 0 HD23 LEU A 19 2.292 8.964 7.405 1.00 21.24 H new ATOM 285 N GLY A 20 -1.598 7.508 7.754 1.00 33.50 N ATOM 286 CA GLY A 20 -2.091 6.996 8.992 1.00 45.24 C ATOM 287 C GLY A 20 -2.908 5.835 8.609 1.00 40.40 C ATOM 288 O GLY A 20 -3.992 5.622 9.127 1.00 24.34 O ATOM 0 H GLY A 20 -1.813 6.943 6.932 1.00 33.50 H new ATOM 0 HA2 GLY A 20 -1.276 6.707 9.655 1.00 45.24 H new ATOM 0 HA3 GLY A 20 -2.684 7.741 9.522 1.00 45.24 H new ATOM 292 N ILE A 21 -2.396 5.059 7.635 1.00 13.11 N ATOM 293 CA ILE A 21 -3.113 3.926 7.113 1.00 0.10 C ATOM 294 C ILE A 21 -2.515 2.756 7.860 1.00 32.21 C ATOM 295 O ILE A 21 -1.543 2.935 8.589 1.00 11.55 O ATOM 296 CB ILE A 21 -2.914 3.767 5.587 1.00 54.14 C ATOM 297 CG1 ILE A 21 -2.870 5.170 4.909 1.00 75.34 C ATOM 298 CG2 ILE A 21 -4.047 2.878 5.003 1.00 53.11 C ATOM 299 CD1 ILE A 21 -2.757 5.114 3.385 1.00 2.01 C ATOM 0 H ILE A 21 -1.484 5.213 7.206 1.00 13.11 H new ATOM 0 HA ILE A 21 -4.190 4.020 7.249 1.00 0.10 H new ATOM 0 HB ILE A 21 -1.963 3.273 5.386 1.00 54.14 H new ATOM 0 HG12 ILE A 21 -3.771 5.722 5.177 1.00 75.34 H new ATOM 0 HG13 ILE A 21 -2.023 5.729 5.307 1.00 75.34 H new ATOM 0 HG21 ILE A 21 -3.905 2.767 3.928 1.00 53.11 H new ATOM 0 HG22 ILE A 21 -4.019 1.896 5.476 1.00 53.11 H new ATOM 0 HG23 ILE A 21 -5.012 3.346 5.195 1.00 53.11 H new ATOM 0 HD11 ILE A 21 -2.732 6.127 2.985 1.00 2.01 H new ATOM 0 HD12 ILE A 21 -1.842 4.591 3.107 1.00 2.01 H new ATOM 0 HD13 ILE A 21 -3.617 4.583 2.976 1.00 2.01 H new ATOM 311 N CYS A 22 -3.044 1.545 7.698 1.00 71.12 N ATOM 312 CA CYS A 22 -2.470 0.446 8.444 1.00 44.25 C ATOM 313 C CYS A 22 -2.435 -0.683 7.485 1.00 44.02 C ATOM 314 O CYS A 22 -3.049 -0.648 6.423 1.00 52.23 O ATOM 315 CB CYS A 22 -3.373 0.046 9.686 1.00 32.04 C ATOM 316 SG CYS A 22 -2.840 -1.464 10.604 1.00 53.22 S ATOM 0 H CYS A 22 -3.828 1.313 7.088 1.00 71.12 H new ATOM 0 HA CYS A 22 -1.489 0.711 8.840 1.00 44.25 H new ATOM 0 HB2 CYS A 22 -3.394 0.884 10.382 1.00 32.04 H new ATOM 0 HB3 CYS A 22 -4.395 -0.104 9.337 1.00 32.04 H new ATOM 0 HG CYS A 22 -3.656 -1.681 11.593 1.00 53.22 H new ATOM 321 N VAL A 23 -1.530 -1.612 7.771 1.00 70.44 N ATOM 322 CA VAL A 23 -1.160 -2.617 6.859 1.00 23.22 C ATOM 323 C VAL A 23 -0.883 -3.819 7.709 1.00 65.44 C ATOM 324 O VAL A 23 -0.914 -3.733 8.935 1.00 4.34 O ATOM 325 CB VAL A 23 0.091 -2.260 6.029 1.00 1.41 C ATOM 326 CG1 VAL A 23 -0.311 -1.222 4.955 1.00 23.53 C ATOM 327 CG2 VAL A 23 1.226 -1.743 6.964 1.00 70.44 C ATOM 0 H VAL A 23 -1.041 -1.664 8.665 1.00 70.44 H new ATOM 0 HA VAL A 23 -1.952 -2.772 6.126 1.00 23.22 H new ATOM 0 HB VAL A 23 0.483 -3.142 5.522 1.00 1.41 H new ATOM 0 HG11 VAL A 23 0.563 -0.958 4.359 1.00 23.53 H new ATOM 0 HG12 VAL A 23 -1.078 -1.647 4.307 1.00 23.53 H new ATOM 0 HG13 VAL A 23 -0.702 -0.328 5.441 1.00 23.53 H new ATOM 0 HG21 VAL A 23 2.104 -1.494 6.368 1.00 70.44 H new ATOM 0 HG22 VAL A 23 0.884 -0.854 7.494 1.00 70.44 H new ATOM 0 HG23 VAL A 23 1.485 -2.518 7.685 1.00 70.44 H new ATOM 337 N THR A 24 -0.642 -4.959 7.077 1.00 73.04 N ATOM 338 CA THR A 24 -0.415 -6.163 7.820 1.00 11.13 C ATOM 339 C THR A 24 0.248 -7.125 6.878 1.00 4.34 C ATOM 340 O THR A 24 0.271 -6.891 5.665 1.00 23.22 O ATOM 341 CB THR A 24 -1.715 -6.753 8.417 1.00 44.52 C ATOM 342 OG1 THR A 24 -1.462 -7.869 9.275 1.00 20.04 O ATOM 343 CG2 THR A 24 -2.715 -7.131 7.289 1.00 71.14 C ATOM 0 H THR A 24 -0.601 -5.063 6.063 1.00 73.04 H new ATOM 0 HA THR A 24 0.217 -5.956 8.683 1.00 11.13 H new ATOM 0 HB THR A 24 -2.166 -5.977 9.035 1.00 44.52 H new ATOM 0 HG1 THR A 24 -2.310 -8.208 9.630 1.00 20.04 H new ATOM 0 HG21 THR A 24 -3.622 -7.544 7.730 1.00 71.14 H new ATOM 0 HG22 THR A 24 -2.965 -6.241 6.711 1.00 71.14 H new ATOM 0 HG23 THR A 24 -2.260 -7.873 6.633 1.00 71.14 H new ATOM 351 N GLY A 25 0.804 -8.238 7.417 1.00 25.41 N ATOM 352 CA GLY A 25 1.452 -9.237 6.601 1.00 53.43 C ATOM 353 C GLY A 25 2.851 -8.808 6.350 1.00 64.24 C ATOM 354 O GLY A 25 3.429 -8.042 7.125 1.00 75.22 O ATOM 0 H GLY A 25 0.805 -8.446 8.416 1.00 25.41 H new ATOM 0 HA2 GLY A 25 1.437 -10.204 7.104 1.00 53.43 H new ATOM 0 HA3 GLY A 25 0.919 -9.360 5.658 1.00 53.43 H new ATOM 358 N GLY A 26 3.425 -9.285 5.221 1.00 22.44 N ATOM 359 CA GLY A 26 4.714 -8.822 4.801 1.00 65.50 C ATOM 360 C GLY A 26 5.579 -9.988 4.546 1.00 33.10 C ATOM 361 O GLY A 26 5.765 -10.402 3.401 1.00 53.31 O ATOM 0 H GLY A 26 3.000 -9.982 4.609 1.00 22.44 H new ATOM 0 HA2 GLY A 26 4.622 -8.216 3.899 1.00 65.50 H new ATOM 0 HA3 GLY A 26 5.155 -8.186 5.569 1.00 65.50 H new ATOM 365 N VAL A 27 6.166 -10.526 5.633 1.00 42.50 N ATOM 366 CA VAL A 27 7.283 -11.464 5.563 1.00 51.51 C ATOM 367 C VAL A 27 6.839 -12.861 5.114 1.00 14.22 C ATOM 368 O VAL A 27 7.562 -13.828 5.303 1.00 24.13 O ATOM 369 CB VAL A 27 8.075 -11.568 6.860 1.00 12.21 C ATOM 370 CG1 VAL A 27 9.566 -11.581 6.478 1.00 50.23 C ATOM 371 CG2 VAL A 27 7.684 -10.400 7.797 1.00 2.32 C ATOM 0 H VAL A 27 5.870 -10.315 6.586 1.00 42.50 H new ATOM 0 HA VAL A 27 7.948 -11.044 4.808 1.00 51.51 H new ATOM 0 HB VAL A 27 7.855 -12.481 7.414 1.00 12.21 H new ATOM 0 HG11 VAL A 27 10.172 -11.655 7.381 1.00 50.23 H new ATOM 0 HG12 VAL A 27 9.769 -12.436 5.834 1.00 50.23 H new ATOM 0 HG13 VAL A 27 9.814 -10.661 5.949 1.00 50.23 H new ATOM 0 HG21 VAL A 27 8.250 -10.473 8.726 1.00 2.32 H new ATOM 0 HG22 VAL A 27 7.908 -9.451 7.309 1.00 2.32 H new ATOM 0 HG23 VAL A 27 6.618 -10.451 8.017 1.00 2.32 H new ATOM 381 N ASN A 28 5.633 -12.954 4.537 1.00 23.13 N ATOM 382 CA ASN A 28 5.029 -14.205 4.036 1.00 72.55 C ATOM 383 C ASN A 28 4.330 -14.884 5.180 1.00 73.13 C ATOM 384 O ASN A 28 3.755 -15.959 5.025 1.00 11.14 O ATOM 385 CB ASN A 28 6.011 -15.207 3.325 1.00 52.50 C ATOM 386 CG ASN A 28 5.196 -16.236 2.542 1.00 4.03 C ATOM 387 OD1 ASN A 28 5.148 -17.419 2.902 1.00 14.51 O ATOM 388 ND2 ASN A 28 4.544 -15.789 1.453 1.00 62.33 N ATOM 0 H ASN A 28 5.031 -12.142 4.400 1.00 23.13 H new ATOM 0 HA ASN A 28 4.337 -13.911 3.247 1.00 72.55 H new ATOM 0 HB2 ASN A 28 6.679 -14.667 2.654 1.00 52.50 H new ATOM 0 HB3 ASN A 28 6.638 -15.707 4.064 1.00 52.50 H new ATOM 0 HD21 ASN A 28 3.986 -16.433 0.893 1.00 62.33 H new ATOM 0 HD22 ASN A 28 4.608 -14.806 1.188 1.00 62.33 H new ATOM 395 N THR A 29 4.299 -14.183 6.335 1.00 30.35 N ATOM 396 CA THR A 29 3.403 -14.448 7.458 1.00 74.41 C ATOM 397 C THR A 29 1.927 -14.591 6.984 1.00 31.23 C ATOM 398 O THR A 29 1.658 -14.699 5.813 1.00 51.34 O ATOM 399 CB THR A 29 3.527 -13.363 8.528 1.00 32.33 C ATOM 400 OG1 THR A 29 3.368 -12.053 7.940 1.00 74.41 O ATOM 401 CG2 THR A 29 4.944 -13.471 9.142 1.00 10.15 C ATOM 0 H THR A 29 4.922 -13.393 6.506 1.00 30.35 H new ATOM 0 HA THR A 29 3.704 -15.397 7.901 1.00 74.41 H new ATOM 0 HB THR A 29 2.755 -13.499 9.285 1.00 32.33 H new ATOM 0 HG1 THR A 29 3.448 -11.369 8.638 1.00 74.41 H new ATOM 0 HG21 THR A 29 5.066 -12.709 9.911 1.00 10.15 H new ATOM 0 HG22 THR A 29 5.074 -14.458 9.585 1.00 10.15 H new ATOM 0 HG23 THR A 29 5.691 -13.322 8.362 1.00 10.15 H new ATOM 409 N SER A 30 0.975 -14.647 7.963 1.00 52.24 N ATOM 410 CA SER A 30 -0.460 -15.005 7.778 1.00 32.23 C ATOM 411 C SER A 30 -1.057 -14.642 6.412 1.00 34.13 C ATOM 412 O SER A 30 -1.822 -15.424 5.849 1.00 55.04 O ATOM 413 CB SER A 30 -1.346 -14.393 8.877 1.00 74.51 C ATOM 414 OG SER A 30 -0.787 -14.684 10.168 1.00 61.40 O ATOM 0 H SER A 30 1.197 -14.436 8.936 1.00 52.24 H new ATOM 0 HA SER A 30 -0.457 -16.093 7.843 1.00 32.23 H new ATOM 0 HB2 SER A 30 -1.422 -13.315 8.738 1.00 74.51 H new ATOM 0 HB3 SER A 30 -2.357 -14.795 8.809 1.00 74.51 H new ATOM 0 HG SER A 30 -1.353 -14.291 10.865 1.00 61.40 H new ATOM 420 N VAL A 31 -0.730 -13.455 5.881 1.00 31.05 N ATOM 421 CA VAL A 31 -1.270 -13.006 4.612 1.00 10.15 C ATOM 422 C VAL A 31 -0.945 -14.020 3.487 1.00 54.44 C ATOM 423 O VAL A 31 0.212 -14.343 3.203 1.00 53.44 O ATOM 424 CB VAL A 31 -0.790 -11.633 4.224 1.00 44.03 C ATOM 425 CG1 VAL A 31 -1.463 -10.614 5.175 1.00 30.21 C ATOM 426 CG2 VAL A 31 0.763 -11.593 4.278 1.00 44.41 C ATOM 0 H VAL A 31 -0.090 -12.794 6.321 1.00 31.05 H new ATOM 0 HA VAL A 31 -2.350 -12.944 4.743 1.00 10.15 H new ATOM 0 HB VAL A 31 -1.067 -11.376 3.202 1.00 44.03 H new ATOM 0 HG11 VAL A 31 -1.135 -9.606 4.920 1.00 30.21 H new ATOM 0 HG12 VAL A 31 -2.546 -10.680 5.072 1.00 30.21 H new ATOM 0 HG13 VAL A 31 -1.182 -10.837 6.204 1.00 30.21 H new ATOM 0 HG21 VAL A 31 1.111 -10.599 3.997 1.00 44.41 H new ATOM 0 HG22 VAL A 31 1.098 -11.822 5.290 1.00 44.41 H new ATOM 0 HG23 VAL A 31 1.170 -12.329 3.585 1.00 44.41 H new ATOM 436 N ARG A 32 -2.025 -14.551 2.874 1.00 3.43 N ATOM 437 CA ARG A 32 -1.958 -15.596 1.847 1.00 33.03 C ATOM 438 C ARG A 32 -0.955 -15.257 0.763 1.00 1.45 C ATOM 439 O ARG A 32 0.023 -15.973 0.575 1.00 70.14 O ATOM 440 CB ARG A 32 -3.323 -15.875 1.174 1.00 60.22 C ATOM 441 CG ARG A 32 -4.368 -16.432 2.158 1.00 32.41 C ATOM 442 CD ARG A 32 -5.752 -16.666 1.532 1.00 42.22 C ATOM 443 NE ARG A 32 -5.599 -17.613 0.362 1.00 21.25 N ATOM 444 CZ ARG A 32 -6.706 -18.146 -0.274 1.00 55.04 C ATOM 445 NH1 ARG A 32 -7.975 -17.792 0.128 1.00 71.32 N ATOM 446 NH2 ARG A 32 -6.530 -19.022 -1.305 1.00 23.51 N ATOM 0 H ARG A 32 -2.978 -14.257 3.087 1.00 3.43 H new ATOM 0 HA ARG A 32 -1.643 -16.492 2.381 1.00 33.03 H new ATOM 0 HB2 ARG A 32 -3.701 -14.953 0.733 1.00 60.22 H new ATOM 0 HB3 ARG A 32 -3.183 -16.585 0.359 1.00 60.22 H new ATOM 0 HG2 ARG A 32 -4.002 -17.373 2.567 1.00 32.41 H new ATOM 0 HG3 ARG A 32 -4.471 -15.740 2.994 1.00 32.41 H new ATOM 0 HD2 ARG A 32 -6.435 -17.085 2.271 1.00 42.22 H new ATOM 0 HD3 ARG A 32 -6.182 -15.721 1.200 1.00 42.22 H new ATOM 0 HE ARG A 32 -4.665 -17.862 0.037 1.00 21.25 H new ATOM 0 HH11 ARG A 32 -8.101 -17.134 0.897 1.00 71.32 H new ATOM 0 HH12 ARG A 32 -8.788 -18.187 -0.344 1.00 71.32 H new ATOM 0 HH21 ARG A 32 -5.588 -19.279 -1.601 1.00 23.51 H new ATOM 0 HH22 ARG A 32 -7.340 -19.420 -1.780 1.00 23.51 H new ATOM 460 N HIS A 33 -1.202 -14.173 -0.002 1.00 71.43 N ATOM 461 CA HIS A 33 -0.421 -13.936 -1.219 1.00 0.20 C ATOM 462 C HIS A 33 0.975 -13.460 -0.859 1.00 42.13 C ATOM 463 O HIS A 33 1.890 -13.591 -1.652 1.00 51.12 O ATOM 464 CB HIS A 33 -1.077 -12.925 -2.178 1.00 62.55 C ATOM 465 CG HIS A 33 -0.575 -12.967 -3.599 1.00 65.10 C ATOM 466 ND1 HIS A 33 -1.255 -12.349 -4.609 1.00 24.12 N ATOM 467 CD2 HIS A 33 0.520 -13.541 -4.148 1.00 22.04 C ATOM 468 CE1 HIS A 33 -0.602 -12.540 -5.743 1.00 73.24 C ATOM 469 NE2 HIS A 33 0.489 -13.258 -5.484 1.00 2.33 N ATOM 0 H HIS A 33 -1.915 -13.471 0.198 1.00 71.43 H new ATOM 0 HA HIS A 33 -0.374 -14.890 -1.744 1.00 0.20 H new ATOM 0 HB2 HIS A 33 -2.153 -13.101 -2.185 1.00 62.55 H new ATOM 0 HB3 HIS A 33 -0.920 -11.921 -1.784 1.00 62.55 H new ATOM 0 HD2 HIS A 33 1.275 -14.114 -3.629 1.00 22.04 H new ATOM 0 HE1 HIS A 33 -0.903 -12.176 -6.714 1.00 73.24 H new ATOM 0 HE2 HIS A 33 1.186 -13.549 -6.170 1.00 2.33 H new ATOM 478 N GLY A 34 1.185 -12.937 0.376 1.00 52.02 N ATOM 479 CA GLY A 34 2.545 -12.665 0.832 1.00 41.34 C ATOM 480 C GLY A 34 2.952 -11.281 0.417 1.00 53.11 C ATOM 481 O GLY A 34 3.923 -11.098 -0.297 1.00 51.13 O ATOM 0 H GLY A 34 0.449 -12.707 1.043 1.00 52.02 H new ATOM 0 HA2 GLY A 34 2.601 -12.761 1.916 1.00 41.34 H new ATOM 0 HA3 GLY A 34 3.233 -13.398 0.411 1.00 41.34 H new ATOM 485 N GLY A 35 2.226 -10.272 0.874 1.00 51.13 N ATOM 486 CA GLY A 35 2.562 -8.899 0.578 1.00 55.12 C ATOM 487 C GLY A 35 1.969 -8.161 1.697 1.00 73.13 C ATOM 488 O GLY A 35 1.394 -8.788 2.576 1.00 20.20 O ATOM 0 H GLY A 35 1.395 -10.386 1.455 1.00 51.13 H new ATOM 0 HA2 GLY A 35 3.641 -8.751 0.524 1.00 55.12 H new ATOM 0 HA3 GLY A 35 2.148 -8.580 -0.379 1.00 55.12 H new ATOM 492 N ILE A 36 2.081 -6.811 1.717 1.00 35.12 N ATOM 493 CA ILE A 36 1.449 -6.074 2.719 1.00 40.43 C ATOM 494 C ILE A 36 0.078 -5.906 2.224 1.00 65.45 C ATOM 495 O ILE A 36 -0.135 -5.632 1.039 1.00 52.51 O ATOM 496 CB ILE A 36 2.111 -4.724 2.995 1.00 70.01 C ATOM 497 CG1 ILE A 36 2.567 -4.684 4.416 1.00 64.41 C ATOM 498 CG2 ILE A 36 1.191 -3.523 2.654 1.00 74.10 C ATOM 499 CD1 ILE A 36 3.516 -5.773 4.783 1.00 14.40 C ATOM 0 H ILE A 36 2.607 -6.260 1.039 1.00 35.12 H new ATOM 0 HA ILE A 36 1.502 -6.589 3.678 1.00 40.43 H new ATOM 0 HB ILE A 36 2.973 -4.626 2.335 1.00 70.01 H new ATOM 0 HG12 ILE A 36 3.044 -3.722 4.606 1.00 64.41 H new ATOM 0 HG13 ILE A 36 1.695 -4.742 5.068 1.00 64.41 H new ATOM 0 HG21 ILE A 36 1.714 -2.591 2.870 1.00 74.10 H new ATOM 0 HG22 ILE A 36 0.928 -3.555 1.597 1.00 74.10 H new ATOM 0 HG23 ILE A 36 0.283 -3.578 3.255 1.00 74.10 H new ATOM 0 HD11 ILE A 36 3.798 -5.672 5.831 1.00 14.40 H new ATOM 0 HD12 ILE A 36 3.038 -6.740 4.628 1.00 14.40 H new ATOM 0 HD13 ILE A 36 4.407 -5.705 4.159 1.00 14.40 H new ATOM 511 N TYR A 37 -0.877 -6.139 3.071 1.00 45.01 N ATOM 512 CA TYR A 37 -2.260 -5.971 2.674 1.00 73.24 C ATOM 513 C TYR A 37 -2.693 -4.743 3.342 1.00 74.22 C ATOM 514 O TYR A 37 -2.194 -4.414 4.423 1.00 51.33 O ATOM 515 CB TYR A 37 -3.217 -7.091 3.175 1.00 1.01 C ATOM 516 CG TYR A 37 -3.121 -8.285 2.265 1.00 71.02 C ATOM 517 CD1 TYR A 37 -1.899 -8.974 2.070 1.00 45.32 C ATOM 518 CD2 TYR A 37 -4.272 -8.755 1.598 1.00 61.41 C ATOM 519 CE1 TYR A 37 -1.841 -10.100 1.228 1.00 63.53 C ATOM 520 CE2 TYR A 37 -4.209 -9.875 0.760 1.00 51.20 C ATOM 521 CZ TYR A 37 -3.003 -10.557 0.590 1.00 63.33 C ATOM 522 OH TYR A 37 -2.954 -11.709 -0.201 1.00 64.32 O ATOM 0 H TYR A 37 -0.737 -6.443 4.034 1.00 45.01 H new ATOM 0 HA TYR A 37 -2.305 -5.974 1.585 1.00 73.24 H new ATOM 0 HB2 TYR A 37 -2.956 -7.377 4.194 1.00 1.01 H new ATOM 0 HB3 TYR A 37 -4.242 -6.722 3.200 1.00 1.01 H new ATOM 0 HD1 TYR A 37 -1.005 -8.633 2.571 1.00 45.32 H new ATOM 0 HD2 TYR A 37 -5.214 -8.244 1.736 1.00 61.41 H new ATOM 0 HE1 TYR A 37 -0.903 -10.612 1.073 1.00 63.53 H new ATOM 0 HE2 TYR A 37 -5.096 -10.212 0.244 1.00 51.20 H new ATOM 0 HH TYR A 37 -3.843 -11.890 -0.570 1.00 64.32 H new ATOM 532 N VAL A 38 -3.648 -4.021 2.737 1.00 60.31 N ATOM 533 CA VAL A 38 -4.183 -2.867 3.376 1.00 13.32 C ATOM 534 C VAL A 38 -5.195 -3.372 4.379 1.00 5.41 C ATOM 535 O VAL A 38 -6.309 -3.778 4.030 1.00 13.14 O ATOM 536 CB VAL A 38 -4.849 -1.917 2.405 1.00 14.10 C ATOM 537 CG1 VAL A 38 -5.389 -0.703 3.180 1.00 23.44 C ATOM 538 CG2 VAL A 38 -3.802 -1.533 1.330 1.00 41.20 C ATOM 0 H VAL A 38 -4.044 -4.232 1.821 1.00 60.31 H new ATOM 0 HA VAL A 38 -3.378 -2.300 3.844 1.00 13.32 H new ATOM 0 HB VAL A 38 -5.702 -2.373 1.902 1.00 14.10 H new ATOM 0 HG11 VAL A 38 -5.871 -0.014 2.487 1.00 23.44 H new ATOM 0 HG12 VAL A 38 -6.115 -1.038 3.921 1.00 23.44 H new ATOM 0 HG13 VAL A 38 -4.565 -0.196 3.682 1.00 23.44 H new ATOM 0 HG21 VAL A 38 -4.252 -0.847 0.613 1.00 41.20 H new ATOM 0 HG22 VAL A 38 -2.950 -1.050 1.808 1.00 41.20 H new ATOM 0 HG23 VAL A 38 -3.466 -2.431 0.812 1.00 41.20 H new ATOM 548 N LYS A 39 -4.764 -3.377 5.650 1.00 60.13 N ATOM 549 CA LYS A 39 -5.551 -3.914 6.737 1.00 22.14 C ATOM 550 C LYS A 39 -6.708 -2.993 7.029 1.00 74.32 C ATOM 551 O LYS A 39 -7.792 -3.446 7.374 1.00 44.32 O ATOM 552 CB LYS A 39 -4.725 -4.055 8.045 1.00 64.10 C ATOM 553 CG LYS A 39 -5.372 -4.984 9.085 1.00 10.34 C ATOM 554 CD LYS A 39 -4.684 -4.936 10.461 1.00 20.44 C ATOM 555 CE LYS A 39 -5.261 -5.945 11.474 1.00 75.21 C ATOM 556 NZ LYS A 39 -6.716 -5.750 11.639 1.00 10.52 N ATOM 0 H LYS A 39 -3.859 -3.006 5.938 1.00 60.13 H new ATOM 0 HA LYS A 39 -5.892 -4.900 6.423 1.00 22.14 H new ATOM 0 HB2 LYS A 39 -3.733 -4.434 7.799 1.00 64.10 H new ATOM 0 HB3 LYS A 39 -4.589 -3.068 8.487 1.00 64.10 H new ATOM 0 HG2 LYS A 39 -6.421 -4.711 9.202 1.00 10.34 H new ATOM 0 HG3 LYS A 39 -5.349 -6.008 8.711 1.00 10.34 H new ATOM 0 HD2 LYS A 39 -3.619 -5.131 10.333 1.00 20.44 H new ATOM 0 HD3 LYS A 39 -4.777 -3.930 10.870 1.00 20.44 H new ATOM 0 HE2 LYS A 39 -5.062 -6.962 11.135 1.00 75.21 H new ATOM 0 HE3 LYS A 39 -4.762 -5.827 12.436 1.00 75.21 H new ATOM 0 HZ1 LYS A 39 -7.059 -6.344 12.420 1.00 10.52 H new ATOM 0 HZ2 LYS A 39 -6.910 -4.751 11.853 1.00 10.52 H new ATOM 0 HZ3 LYS A 39 -7.204 -6.017 10.760 1.00 10.52 H new ATOM 570 N ALA A 40 -6.509 -1.686 6.893 1.00 34.15 N ATOM 571 CA ALA A 40 -7.560 -0.769 7.239 1.00 44.33 C ATOM 572 C ALA A 40 -7.298 0.448 6.469 1.00 51.21 C ATOM 573 O ALA A 40 -6.146 0.807 6.264 1.00 34.02 O ATOM 574 CB ALA A 40 -7.581 -0.372 8.729 1.00 51.21 C ATOM 0 H ALA A 40 -5.648 -1.257 6.553 1.00 34.15 H new ATOM 0 HA ALA A 40 -8.515 -1.249 7.027 1.00 44.33 H new ATOM 0 HB1 ALA A 40 -8.402 0.322 8.909 1.00 51.21 H new ATOM 0 HB2 ALA A 40 -7.718 -1.263 9.341 1.00 51.21 H new ATOM 0 HB3 ALA A 40 -6.638 0.107 8.991 1.00 51.21 H new ATOM 580 N VAL A 41 -8.366 1.119 6.009 1.00 4.13 N ATOM 581 CA VAL A 41 -8.222 2.367 5.338 1.00 22.03 C ATOM 582 C VAL A 41 -8.939 3.325 6.231 1.00 34.05 C ATOM 583 O VAL A 41 -10.090 3.074 6.601 1.00 13.53 O ATOM 584 CB VAL A 41 -8.909 2.387 3.966 1.00 61.22 C ATOM 585 CG1 VAL A 41 -8.636 3.739 3.271 1.00 63.13 C ATOM 586 CG2 VAL A 41 -8.395 1.193 3.149 1.00 24.23 C ATOM 0 H VAL A 41 -9.329 0.796 6.103 1.00 4.13 H new ATOM 0 HA VAL A 41 -7.171 2.593 5.159 1.00 22.03 H new ATOM 0 HB VAL A 41 -9.990 2.292 4.065 1.00 61.22 H new ATOM 0 HG11 VAL A 41 -9.124 3.752 2.297 1.00 63.13 H new ATOM 0 HG12 VAL A 41 -9.029 4.550 3.885 1.00 63.13 H new ATOM 0 HG13 VAL A 41 -7.562 3.871 3.140 1.00 63.13 H new ATOM 0 HG21 VAL A 41 -8.872 1.190 2.169 1.00 24.23 H new ATOM 0 HG22 VAL A 41 -7.315 1.274 3.026 1.00 24.23 H new ATOM 0 HG23 VAL A 41 -8.632 0.266 3.671 1.00 24.23 H new ATOM 596 N ILE A 42 -8.288 4.429 6.623 1.00 41.41 N ATOM 597 CA ILE A 42 -8.956 5.427 7.432 1.00 72.11 C ATOM 598 C ILE A 42 -9.786 6.258 6.483 1.00 4.13 C ATOM 599 O ILE A 42 -9.427 6.424 5.313 1.00 42.55 O ATOM 600 CB ILE A 42 -8.023 6.322 8.274 1.00 31.13 C ATOM 601 CG1 ILE A 42 -7.212 7.358 7.436 1.00 75.30 C ATOM 602 CG2 ILE A 42 -7.138 5.396 9.125 1.00 25.12 C ATOM 603 CD1 ILE A 42 -6.326 6.737 6.376 1.00 74.53 C ATOM 0 H ILE A 42 -7.317 4.641 6.392 1.00 41.41 H new ATOM 0 HA ILE A 42 -9.558 4.912 8.180 1.00 72.11 H new ATOM 0 HB ILE A 42 -8.625 6.958 8.924 1.00 31.13 H new ATOM 0 HG12 ILE A 42 -7.908 8.045 6.955 1.00 75.30 H new ATOM 0 HG13 ILE A 42 -6.593 7.950 8.110 1.00 75.30 H new ATOM 0 HG21 ILE A 42 -6.464 5.997 9.735 1.00 25.12 H new ATOM 0 HG22 ILE A 42 -7.767 4.786 9.773 1.00 25.12 H new ATOM 0 HG23 ILE A 42 -6.555 4.748 8.471 1.00 25.12 H new ATOM 0 HD11 ILE A 42 -5.797 7.523 5.838 1.00 74.53 H new ATOM 0 HD12 ILE A 42 -5.604 6.072 6.849 1.00 74.53 H new ATOM 0 HD13 ILE A 42 -6.939 6.168 5.677 1.00 74.53 H new ATOM 615 N PRO A 43 -10.940 6.747 6.948 1.00 73.41 N ATOM 616 CA PRO A 43 -11.818 7.529 6.116 1.00 44.43 C ATOM 617 C PRO A 43 -11.206 8.866 6.021 1.00 24.44 C ATOM 618 O PRO A 43 -10.257 9.137 6.766 1.00 52.01 O ATOM 619 CB PRO A 43 -13.089 7.652 6.934 1.00 44.32 C ATOM 620 CG PRO A 43 -12.556 7.709 8.358 1.00 23.31 C ATOM 621 CD PRO A 43 -11.437 6.640 8.328 1.00 52.35 C ATOM 0 HA PRO A 43 -11.994 7.110 5.125 1.00 44.43 H new ATOM 0 HB2 PRO A 43 -13.654 8.548 6.675 1.00 44.32 H new ATOM 0 HB3 PRO A 43 -13.754 6.801 6.783 1.00 44.32 H new ATOM 0 HG2 PRO A 43 -12.170 8.697 8.609 1.00 23.31 H new ATOM 0 HG3 PRO A 43 -13.327 7.472 9.092 1.00 23.31 H new ATOM 0 HD2 PRO A 43 -10.656 6.848 9.059 1.00 52.35 H new ATOM 0 HD3 PRO A 43 -11.820 5.643 8.546 1.00 52.35 H new ATOM 629 N GLN A 44 -11.762 9.731 5.175 1.00 31.31 N ATOM 630 CA GLN A 44 -11.437 11.136 5.174 1.00 1.24 C ATOM 631 C GLN A 44 -10.022 11.373 4.654 1.00 34.02 C ATOM 632 O GLN A 44 -9.626 12.504 4.386 1.00 20.21 O ATOM 633 CB GLN A 44 -11.612 11.788 6.580 1.00 14.32 C ATOM 634 CG GLN A 44 -11.977 13.279 6.518 1.00 0.14 C ATOM 635 CD GLN A 44 -11.816 13.863 7.914 1.00 33.34 C ATOM 636 OE1 GLN A 44 -12.593 13.561 8.824 1.00 41.13 O ATOM 637 NE2 GLN A 44 -10.781 14.699 8.102 1.00 64.55 N ATOM 0 H GLN A 44 -12.452 9.465 4.472 1.00 31.31 H new ATOM 0 HA GLN A 44 -12.145 11.618 4.500 1.00 1.24 H new ATOM 0 HB2 GLN A 44 -12.389 11.253 7.126 1.00 14.32 H new ATOM 0 HB3 GLN A 44 -10.687 11.671 7.145 1.00 14.32 H new ATOM 0 HG2 GLN A 44 -11.332 13.800 5.811 1.00 0.14 H new ATOM 0 HG3 GLN A 44 -13.001 13.406 6.168 1.00 0.14 H new ATOM 0 HE21 GLN A 44 -10.160 14.925 7.325 1.00 64.55 H new ATOM 0 HE22 GLN A 44 -10.616 15.108 9.022 1.00 64.55 H new ATOM 646 N GLY A 45 -9.248 10.308 4.523 1.00 54.22 N ATOM 647 CA GLY A 45 -7.860 10.398 4.157 1.00 54.01 C ATOM 648 C GLY A 45 -7.790 10.307 2.688 1.00 71.13 C ATOM 649 O GLY A 45 -8.796 10.150 2.030 1.00 52.35 O ATOM 0 H GLY A 45 -9.576 9.353 4.671 1.00 54.22 H new ATOM 0 HA2 GLY A 45 -7.430 11.337 4.505 1.00 54.01 H new ATOM 0 HA3 GLY A 45 -7.287 9.595 4.620 1.00 54.01 H new ATOM 653 N ALA A 46 -6.575 10.394 2.146 1.00 64.52 N ATOM 654 CA ALA A 46 -6.375 10.437 0.707 1.00 65.41 C ATOM 655 C ALA A 46 -6.768 9.108 0.140 1.00 74.12 C ATOM 656 O ALA A 46 -7.504 9.034 -0.819 1.00 44.24 O ATOM 657 CB ALA A 46 -4.920 10.701 0.323 1.00 42.12 C ATOM 0 H ALA A 46 -5.713 10.436 2.690 1.00 64.52 H new ATOM 0 HA ALA A 46 -6.980 11.253 0.312 1.00 65.41 H new ATOM 0 HB1 ALA A 46 -4.828 10.723 -0.763 1.00 42.12 H new ATOM 0 HB2 ALA A 46 -4.604 11.660 0.733 1.00 42.12 H new ATOM 0 HB3 ALA A 46 -4.288 9.909 0.725 1.00 42.12 H new ATOM 663 N ALA A 47 -6.275 8.023 0.775 1.00 42.11 N ATOM 664 CA ALA A 47 -6.536 6.663 0.304 1.00 61.21 C ATOM 665 C ALA A 47 -8.028 6.440 0.130 1.00 33.23 C ATOM 666 O ALA A 47 -8.467 6.019 -0.936 1.00 51.40 O ATOM 667 CB ALA A 47 -6.024 5.610 1.309 1.00 43.25 C ATOM 0 H ALA A 47 -5.696 8.072 1.613 1.00 42.11 H new ATOM 0 HA ALA A 47 -6.013 6.552 -0.646 1.00 61.21 H new ATOM 0 HB1 ALA A 47 -6.234 4.611 0.928 1.00 43.25 H new ATOM 0 HB2 ALA A 47 -4.949 5.728 1.444 1.00 43.25 H new ATOM 0 HB3 ALA A 47 -6.527 5.746 2.266 1.00 43.25 H new ATOM 673 N GLU A 48 -8.830 6.767 1.155 1.00 24.30 N ATOM 674 CA GLU A 48 -10.277 6.620 1.067 1.00 0.45 C ATOM 675 C GLU A 48 -10.837 7.638 0.084 1.00 31.41 C ATOM 676 O GLU A 48 -11.579 7.290 -0.825 1.00 52.33 O ATOM 677 CB GLU A 48 -10.955 6.867 2.438 1.00 11.30 C ATOM 678 CG GLU A 48 -12.484 6.776 2.420 1.00 62.33 C ATOM 679 CD GLU A 48 -12.898 5.352 2.152 1.00 13.22 C ATOM 680 OE1 GLU A 48 -12.517 4.462 2.938 1.00 44.14 O ATOM 681 OE2 GLU A 48 -13.639 5.120 1.175 1.00 51.03 O ATOM 0 H GLU A 48 -8.496 7.132 2.047 1.00 24.30 H new ATOM 0 HA GLU A 48 -10.483 5.601 0.739 1.00 0.45 H new ATOM 0 HB2 GLU A 48 -10.570 6.142 3.155 1.00 11.30 H new ATOM 0 HB3 GLU A 48 -10.667 7.855 2.798 1.00 11.30 H new ATOM 0 HG2 GLU A 48 -12.890 7.111 3.374 1.00 62.33 H new ATOM 0 HG3 GLU A 48 -12.889 7.435 1.652 1.00 62.33 H new ATOM 688 N SER A 49 -10.518 8.925 0.296 1.00 65.23 N ATOM 689 CA SER A 49 -11.158 10.033 -0.410 1.00 62.12 C ATOM 690 C SER A 49 -10.911 9.924 -1.915 1.00 20.31 C ATOM 691 O SER A 49 -11.781 10.267 -2.713 1.00 52.15 O ATOM 692 CB SER A 49 -10.650 11.424 0.108 1.00 70.13 C ATOM 693 OG SER A 49 -11.481 12.510 -0.330 1.00 60.34 O ATOM 0 H SER A 49 -9.807 9.221 0.964 1.00 65.23 H new ATOM 0 HA SER A 49 -12.228 9.967 -0.212 1.00 62.12 H new ATOM 0 HB2 SER A 49 -10.617 11.412 1.197 1.00 70.13 H new ATOM 0 HB3 SER A 49 -9.630 11.588 -0.240 1.00 70.13 H new ATOM 0 HG SER A 49 -11.126 13.355 0.018 1.00 60.34 H new ATOM 699 N ASP A 50 -9.727 9.433 -2.333 1.00 21.22 N ATOM 700 CA ASP A 50 -9.430 9.359 -3.767 1.00 20.24 C ATOM 701 C ASP A 50 -9.901 8.000 -4.250 1.00 51.00 C ATOM 702 O ASP A 50 -10.240 7.822 -5.422 1.00 55.13 O ATOM 703 CB ASP A 50 -7.935 9.556 -4.137 1.00 61.33 C ATOM 704 CG ASP A 50 -7.836 9.905 -5.630 1.00 21.01 C ATOM 705 OD1 ASP A 50 -8.487 10.890 -6.062 1.00 24.34 O ATOM 706 OD2 ASP A 50 -7.116 9.213 -6.370 1.00 73.22 O ATOM 0 H ASP A 50 -8.987 9.094 -1.718 1.00 21.22 H new ATOM 0 HA ASP A 50 -9.948 10.186 -4.252 1.00 20.24 H new ATOM 0 HB2 ASP A 50 -7.499 10.352 -3.534 1.00 61.33 H new ATOM 0 HB3 ASP A 50 -7.371 8.648 -3.923 1.00 61.33 H new ATOM 711 N GLY A 51 -10.003 7.021 -3.315 1.00 71.32 N ATOM 712 CA GLY A 51 -10.661 5.747 -3.600 1.00 72.22 C ATOM 713 C GLY A 51 -9.742 4.840 -4.348 1.00 11.41 C ATOM 714 O GLY A 51 -10.194 3.959 -5.068 1.00 4.25 O ATOM 0 H GLY A 51 -9.636 7.101 -2.367 1.00 71.32 H new ATOM 0 HA2 GLY A 51 -10.969 5.274 -2.668 1.00 72.22 H new ATOM 0 HA3 GLY A 51 -11.565 5.920 -4.184 1.00 72.22 H new ATOM 718 N ARG A 52 -8.415 5.031 -4.217 1.00 52.04 N ATOM 719 CA ARG A 52 -7.485 4.253 -5.011 1.00 62.21 C ATOM 720 C ARG A 52 -7.022 3.091 -4.187 1.00 43.45 C ATOM 721 O ARG A 52 -6.121 2.354 -4.587 1.00 73.33 O ATOM 722 CB ARG A 52 -6.247 5.080 -5.384 1.00 42.11 C ATOM 723 CG ARG A 52 -6.569 6.319 -6.217 1.00 4.11 C ATOM 724 CD ARG A 52 -6.987 6.022 -7.659 1.00 12.42 C ATOM 725 NE ARG A 52 -7.714 7.234 -8.182 1.00 53.05 N ATOM 726 CZ ARG A 52 -8.594 7.139 -9.250 1.00 72.43 C ATOM 727 NH1 ARG A 52 -8.747 5.963 -9.920 1.00 62.42 N ATOM 728 NH2 ARG A 52 -9.324 8.215 -9.639 1.00 20.34 N ATOM 0 H ARG A 52 -7.985 5.703 -3.582 1.00 52.04 H new ATOM 0 HA ARG A 52 -7.990 3.933 -5.922 1.00 62.21 H new ATOM 0 HB2 ARG A 52 -5.738 5.388 -4.471 1.00 42.11 H new ATOM 0 HB3 ARG A 52 -5.553 4.449 -5.939 1.00 42.11 H new ATOM 0 HG2 ARG A 52 -7.369 6.873 -5.727 1.00 4.11 H new ATOM 0 HG3 ARG A 52 -5.694 6.969 -6.232 1.00 4.11 H new ATOM 0 HD2 ARG A 52 -6.114 5.805 -8.274 1.00 12.42 H new ATOM 0 HD3 ARG A 52 -7.631 5.143 -7.698 1.00 12.42 H new ATOM 0 HE ARG A 52 -7.556 8.141 -7.743 1.00 53.05 H new ATOM 0 HH11 ARG A 52 -8.212 5.142 -9.638 1.00 62.42 H new ATOM 0 HH12 ARG A 52 -9.397 5.904 -10.704 1.00 62.42 H new ATOM 0 HH21 ARG A 52 -9.228 9.102 -9.145 1.00 20.34 H new ATOM 0 HH22 ARG A 52 -9.969 8.137 -10.425 1.00 20.34 H new ATOM 742 N ILE A 53 -7.614 2.916 -3.008 1.00 34.31 N ATOM 743 CA ILE A 53 -7.163 1.928 -2.087 1.00 72.14 C ATOM 744 C ILE A 53 -8.418 1.396 -1.478 1.00 22.10 C ATOM 745 O ILE A 53 -9.405 2.106 -1.347 1.00 61.53 O ATOM 746 CB ILE A 53 -6.220 2.503 -1.012 1.00 75.10 C ATOM 747 CG1 ILE A 53 -4.833 2.746 -1.631 1.00 45.25 C ATOM 748 CG2 ILE A 53 -6.122 1.566 0.202 1.00 30.34 C ATOM 749 CD1 ILE A 53 -3.893 3.559 -0.759 1.00 32.13 C ATOM 0 H ILE A 53 -8.413 3.461 -2.685 1.00 34.31 H new ATOM 0 HA ILE A 53 -6.572 1.158 -2.584 1.00 72.14 H new ATOM 0 HB ILE A 53 -6.626 3.450 -0.656 1.00 75.10 H new ATOM 0 HG12 ILE A 53 -4.370 1.783 -1.845 1.00 45.25 H new ATOM 0 HG13 ILE A 53 -4.959 3.258 -2.585 1.00 45.25 H new ATOM 0 HG21 ILE A 53 -5.450 1.999 0.943 1.00 30.34 H new ATOM 0 HG22 ILE A 53 -7.111 1.436 0.642 1.00 30.34 H new ATOM 0 HG23 ILE A 53 -5.736 0.598 -0.116 1.00 30.34 H new ATOM 0 HD11 ILE A 53 -2.938 3.683 -1.270 1.00 32.13 H new ATOM 0 HD12 ILE A 53 -4.331 4.538 -0.566 1.00 32.13 H new ATOM 0 HD13 ILE A 53 -3.733 3.040 0.186 1.00 32.13 H new ATOM 761 N HIS A 54 -8.400 0.106 -1.154 1.00 75.30 N ATOM 762 CA HIS A 54 -9.504 -0.537 -0.523 1.00 35.44 C ATOM 763 C HIS A 54 -8.877 -1.557 0.340 1.00 42.30 C ATOM 764 O HIS A 54 -7.741 -1.960 0.097 1.00 5.22 O ATOM 765 CB HIS A 54 -10.454 -1.257 -1.510 1.00 70.02 C ATOM 766 CG HIS A 54 -11.187 -0.290 -2.406 1.00 5.14 C ATOM 767 ND1 HIS A 54 -12.363 0.309 -2.043 1.00 72.13 N ATOM 768 CD2 HIS A 54 -10.850 0.195 -3.617 1.00 1.41 C ATOM 769 CE1 HIS A 54 -12.726 1.135 -3.019 1.00 13.34 C ATOM 770 NE2 HIS A 54 -11.822 1.074 -3.984 1.00 61.41 N ATOM 0 H HIS A 54 -7.606 -0.509 -1.331 1.00 75.30 H new ATOM 0 HA HIS A 54 -10.117 0.200 -0.004 1.00 35.44 H new ATOM 0 HB2 HIS A 54 -9.880 -1.952 -2.122 1.00 70.02 H new ATOM 0 HB3 HIS A 54 -11.177 -1.849 -0.949 1.00 70.02 H new ATOM 0 HD2 HIS A 54 -9.972 -0.065 -4.190 1.00 1.41 H new ATOM 0 HE1 HIS A 54 -13.611 1.753 -3.024 1.00 13.34 H new ATOM 0 HE2 HIS A 54 -11.849 1.599 -4.858 1.00 61.41 H new ATOM 779 N LYS A 55 -9.589 -1.986 1.400 1.00 5.20 N ATOM 780 CA LYS A 55 -9.069 -2.996 2.294 1.00 40.23 C ATOM 781 C LYS A 55 -8.978 -4.274 1.530 1.00 0.50 C ATOM 782 O LYS A 55 -9.802 -4.545 0.639 1.00 21.51 O ATOM 783 CB LYS A 55 -9.955 -3.268 3.527 1.00 61.20 C ATOM 784 CG LYS A 55 -10.145 -2.053 4.438 1.00 74.43 C ATOM 785 CD LYS A 55 -11.103 -2.320 5.615 1.00 62.13 C ATOM 786 CE LYS A 55 -12.530 -2.727 5.183 1.00 5.11 C ATOM 787 NZ LYS A 55 -13.122 -1.711 4.281 1.00 70.34 N ATOM 0 H LYS A 55 -10.518 -1.642 1.643 1.00 5.20 H new ATOM 0 HA LYS A 55 -8.110 -2.629 2.658 1.00 40.23 H new ATOM 0 HB2 LYS A 55 -10.933 -3.613 3.190 1.00 61.20 H new ATOM 0 HB3 LYS A 55 -9.514 -4.078 4.107 1.00 61.20 H new ATOM 0 HG2 LYS A 55 -9.175 -1.746 4.830 1.00 74.43 H new ATOM 0 HG3 LYS A 55 -10.528 -1.221 3.848 1.00 74.43 H new ATOM 0 HD2 LYS A 55 -10.684 -3.109 6.239 1.00 62.13 H new ATOM 0 HD3 LYS A 55 -11.163 -1.424 6.232 1.00 62.13 H new ATOM 0 HE2 LYS A 55 -12.500 -3.693 4.678 1.00 5.11 H new ATOM 0 HE3 LYS A 55 -13.160 -2.847 6.064 1.00 5.11 H new ATOM 0 HZ1 LYS A 55 -14.119 -1.946 4.100 1.00 70.34 H new ATOM 0 HZ2 LYS A 55 -13.063 -0.774 4.728 1.00 70.34 H new ATOM 0 HZ3 LYS A 55 -12.600 -1.700 3.381 1.00 70.34 H new ATOM 801 N GLY A 56 -7.976 -5.080 1.841 1.00 34.43 N ATOM 802 CA GLY A 56 -7.884 -6.386 1.242 1.00 31.12 C ATOM 803 C GLY A 56 -6.934 -6.309 0.105 1.00 72.13 C ATOM 804 O GLY A 56 -6.282 -7.296 -0.214 1.00 22.20 O ATOM 0 H GLY A 56 -7.228 -4.851 2.496 1.00 34.43 H new ATOM 0 HA2 GLY A 56 -7.542 -7.117 1.975 1.00 31.12 H new ATOM 0 HA3 GLY A 56 -8.864 -6.716 0.897 1.00 31.12 H new ATOM 808 N ASP A 57 -6.847 -5.124 -0.565 1.00 32.21 N ATOM 809 CA ASP A 57 -5.926 -4.954 -1.689 1.00 74.43 C ATOM 810 C ASP A 57 -4.526 -5.071 -1.160 1.00 51.45 C ATOM 811 O ASP A 57 -4.274 -4.859 0.040 1.00 3.34 O ATOM 812 CB ASP A 57 -6.072 -3.605 -2.468 1.00 52.32 C ATOM 813 CG ASP A 57 -7.383 -3.598 -3.278 1.00 11.44 C ATOM 814 OD1 ASP A 57 -8.065 -4.657 -3.377 1.00 64.40 O ATOM 815 OD2 ASP A 57 -7.739 -2.527 -3.835 1.00 21.54 O ATOM 0 H ASP A 57 -7.399 -4.297 -0.339 1.00 32.21 H new ATOM 0 HA ASP A 57 -6.170 -5.731 -2.413 1.00 74.43 H new ATOM 0 HB2 ASP A 57 -6.064 -2.770 -1.768 1.00 52.32 H new ATOM 0 HB3 ASP A 57 -5.222 -3.469 -3.137 1.00 52.32 H new ATOM 820 N ARG A 58 -3.599 -5.480 -2.040 1.00 20.21 N ATOM 821 CA ARG A 58 -2.267 -5.840 -1.627 1.00 53.43 C ATOM 822 C ARG A 58 -1.367 -4.804 -2.200 1.00 21.12 C ATOM 823 O ARG A 58 -1.552 -4.389 -3.334 1.00 32.21 O ATOM 824 CB ARG A 58 -1.837 -7.241 -2.174 1.00 75.31 C ATOM 825 CG ARG A 58 -0.468 -7.742 -1.678 1.00 41.24 C ATOM 826 CD ARG A 58 -0.198 -9.224 -2.026 1.00 1.02 C ATOM 827 NE ARG A 58 -0.129 -9.388 -3.526 1.00 15.32 N ATOM 828 CZ ARG A 58 1.043 -9.730 -4.207 1.00 45.23 C ATOM 829 NH1 ARG A 58 2.247 -9.838 -3.538 1.00 15.41 N ATOM 830 NH2 ARG A 58 0.996 -9.955 -5.550 1.00 72.22 N ATOM 0 H ARG A 58 -3.765 -5.564 -3.043 1.00 20.21 H new ATOM 0 HA ARG A 58 -2.219 -5.894 -0.539 1.00 53.43 H new ATOM 0 HB2 ARG A 58 -2.597 -7.971 -1.896 1.00 75.31 H new ATOM 0 HB3 ARG A 58 -1.819 -7.199 -3.263 1.00 75.31 H new ATOM 0 HG2 ARG A 58 0.317 -7.124 -2.114 1.00 41.24 H new ATOM 0 HG3 ARG A 58 -0.411 -7.613 -0.597 1.00 41.24 H new ATOM 0 HD2 ARG A 58 0.737 -9.550 -1.571 1.00 1.02 H new ATOM 0 HD3 ARG A 58 -0.988 -9.854 -1.617 1.00 1.02 H new ATOM 0 HE ARG A 58 -0.980 -9.242 -4.069 1.00 15.32 H new ATOM 0 HH11 ARG A 58 2.289 -9.667 -2.533 1.00 15.41 H new ATOM 0 HH12 ARG A 58 3.094 -10.088 -4.049 1.00 15.41 H new ATOM 0 HH21 ARG A 58 0.111 -9.873 -6.050 1.00 72.22 H new ATOM 0 HH22 ARG A 58 1.846 -10.205 -6.055 1.00 72.22 H new ATOM 844 N VAL A 59 -0.372 -4.347 -1.415 1.00 33.55 N ATOM 845 CA VAL A 59 0.578 -3.395 -1.912 1.00 63.24 C ATOM 846 C VAL A 59 1.705 -4.217 -2.457 1.00 64.34 C ATOM 847 O VAL A 59 2.217 -5.126 -1.786 1.00 61.34 O ATOM 848 CB VAL A 59 1.105 -2.417 -0.867 1.00 13.22 C ATOM 849 CG1 VAL A 59 2.014 -1.384 -1.565 1.00 51.34 C ATOM 850 CG2 VAL A 59 -0.119 -1.763 -0.175 1.00 24.31 C ATOM 0 H VAL A 59 -0.225 -4.632 -0.447 1.00 33.55 H new ATOM 0 HA VAL A 59 0.094 -2.760 -2.654 1.00 63.24 H new ATOM 0 HB VAL A 59 1.706 -2.913 -0.105 1.00 13.22 H new ATOM 0 HG11 VAL A 59 2.397 -0.679 -0.827 1.00 51.34 H new ATOM 0 HG12 VAL A 59 2.848 -1.898 -2.043 1.00 51.34 H new ATOM 0 HG13 VAL A 59 1.440 -0.845 -2.318 1.00 51.34 H new ATOM 0 HG21 VAL A 59 0.225 -1.056 0.580 1.00 24.31 H new ATOM 0 HG22 VAL A 59 -0.719 -1.237 -0.918 1.00 24.31 H new ATOM 0 HG23 VAL A 59 -0.724 -2.535 0.300 1.00 24.31 H new ATOM 860 N LEU A 60 2.060 -3.958 -3.714 1.00 13.31 N ATOM 861 CA LEU A 60 3.040 -4.758 -4.406 1.00 1.24 C ATOM 862 C LEU A 60 4.357 -4.130 -4.207 1.00 53.04 C ATOM 863 O LEU A 60 5.277 -4.757 -3.703 1.00 23.53 O ATOM 864 CB LEU A 60 2.792 -4.766 -5.915 1.00 21.41 C ATOM 865 CG LEU A 60 1.523 -5.501 -6.305 1.00 52.41 C ATOM 866 CD1 LEU A 60 0.966 -4.994 -7.615 1.00 55.14 C ATOM 867 CD2 LEU A 60 1.715 -7.016 -6.298 1.00 52.13 C ATOM 0 H LEU A 60 1.675 -3.193 -4.268 1.00 13.31 H new ATOM 0 HA LEU A 60 2.985 -5.775 -4.019 1.00 1.24 H new ATOM 0 HB2 LEU A 60 2.734 -3.738 -6.273 1.00 21.41 H new ATOM 0 HB3 LEU A 60 3.642 -5.231 -6.415 1.00 21.41 H new ATOM 0 HG LEU A 60 0.775 -5.284 -5.542 1.00 52.41 H new ATOM 0 HD11 LEU A 60 0.058 -5.544 -7.861 1.00 55.14 H new ATOM 0 HD12 LEU A 60 0.735 -3.933 -7.526 1.00 55.14 H new ATOM 0 HD13 LEU A 60 1.703 -5.139 -8.404 1.00 55.14 H new ATOM 0 HD21 LEU A 60 0.782 -7.502 -6.583 1.00 52.13 H new ATOM 0 HD22 LEU A 60 2.497 -7.287 -7.007 1.00 52.13 H new ATOM 0 HD23 LEU A 60 2.003 -7.342 -5.299 1.00 52.13 H new ATOM 879 N ALA A 61 4.491 -2.868 -4.629 1.00 3.02 N ATOM 880 CA ALA A 61 5.733 -2.186 -4.521 1.00 51.21 C ATOM 881 C ALA A 61 5.399 -0.830 -4.055 1.00 31.24 C ATOM 882 O ALA A 61 4.335 -0.312 -4.381 1.00 12.12 O ATOM 883 CB ALA A 61 6.463 -2.043 -5.877 1.00 32.00 C ATOM 0 H ALA A 61 3.739 -2.319 -5.045 1.00 3.02 H new ATOM 0 HA ALA A 61 6.391 -2.744 -3.855 1.00 51.21 H new ATOM 0 HB1 ALA A 61 7.405 -1.514 -5.729 1.00 32.00 H new ATOM 0 HB2 ALA A 61 6.663 -3.032 -6.289 1.00 32.00 H new ATOM 0 HB3 ALA A 61 5.836 -1.482 -6.570 1.00 32.00 H new ATOM 889 N VAL A 62 6.302 -0.215 -3.285 1.00 52.21 N ATOM 890 CA VAL A 62 6.093 1.121 -2.818 1.00 2.31 C ATOM 891 C VAL A 62 7.253 1.886 -3.337 1.00 21.11 C ATOM 892 O VAL A 62 8.396 1.495 -3.146 1.00 13.45 O ATOM 893 CB VAL A 62 6.065 1.267 -1.304 1.00 31.44 C ATOM 894 CG1 VAL A 62 5.884 2.762 -0.939 1.00 20.45 C ATOM 895 CG2 VAL A 62 4.936 0.387 -0.753 1.00 44.42 C ATOM 0 H VAL A 62 7.179 -0.638 -2.982 1.00 52.21 H new ATOM 0 HA VAL A 62 5.117 1.466 -3.160 1.00 2.31 H new ATOM 0 HB VAL A 62 7.001 0.936 -0.855 1.00 31.44 H new ATOM 0 HG11 VAL A 62 5.863 2.872 0.145 1.00 20.45 H new ATOM 0 HG12 VAL A 62 6.714 3.339 -1.346 1.00 20.45 H new ATOM 0 HG13 VAL A 62 4.947 3.128 -1.359 1.00 20.45 H new ATOM 0 HG21 VAL A 62 4.900 0.479 0.333 1.00 44.42 H new ATOM 0 HG22 VAL A 62 3.984 0.709 -1.176 1.00 44.42 H new ATOM 0 HG23 VAL A 62 5.120 -0.653 -1.024 1.00 44.42 H new ATOM 905 N ASN A 63 6.957 2.995 -4.033 1.00 53.11 N ATOM 906 CA ASN A 63 7.975 3.886 -4.597 1.00 33.52 C ATOM 907 C ASN A 63 8.876 3.078 -5.536 1.00 21.30 C ATOM 908 O ASN A 63 10.031 3.409 -5.753 1.00 71.30 O ATOM 909 CB ASN A 63 8.844 4.575 -3.487 1.00 0.21 C ATOM 910 CG ASN A 63 9.640 5.745 -4.080 1.00 3.33 C ATOM 911 OD1 ASN A 63 9.059 6.723 -4.579 1.00 21.31 O ATOM 912 ND2 ASN A 63 10.983 5.671 -4.011 1.00 54.12 N ATOM 0 H ASN A 63 6.001 3.297 -4.219 1.00 53.11 H new ATOM 0 HA ASN A 63 7.465 4.680 -5.143 1.00 33.52 H new ATOM 0 HB2 ASN A 63 8.201 4.935 -2.684 1.00 0.21 H new ATOM 0 HB3 ASN A 63 9.527 3.848 -3.047 1.00 0.21 H new ATOM 0 HD21 ASN A 63 11.555 6.433 -4.375 1.00 54.12 H new ATOM 0 HD22 ASN A 63 11.428 4.853 -3.595 1.00 54.12 H new ATOM 919 N GLY A 64 8.309 2.018 -6.159 1.00 64.31 N ATOM 920 CA GLY A 64 9.011 1.268 -7.176 1.00 24.34 C ATOM 921 C GLY A 64 9.617 0.064 -6.553 1.00 45.32 C ATOM 922 O GLY A 64 9.967 -0.880 -7.245 1.00 1.40 O ATOM 0 H GLY A 64 7.368 1.679 -5.961 1.00 64.31 H new ATOM 0 HA2 GLY A 64 8.324 0.976 -7.971 1.00 24.34 H new ATOM 0 HA3 GLY A 64 9.784 1.885 -7.634 1.00 24.34 H new ATOM 926 N VAL A 65 9.791 0.076 -5.229 1.00 52.00 N ATOM 927 CA VAL A 65 10.538 -0.910 -4.572 1.00 72.14 C ATOM 928 C VAL A 65 9.608 -2.051 -4.198 1.00 53.23 C ATOM 929 O VAL A 65 8.607 -1.840 -3.515 1.00 11.33 O ATOM 930 CB VAL A 65 11.142 -0.339 -3.314 1.00 11.03 C ATOM 931 CG1 VAL A 65 11.999 -1.391 -2.692 1.00 25.14 C ATOM 932 CG2 VAL A 65 11.931 0.944 -3.683 1.00 60.13 C ATOM 0 H VAL A 65 9.401 0.788 -4.612 1.00 52.00 H new ATOM 0 HA VAL A 65 11.335 -1.264 -5.226 1.00 72.14 H new ATOM 0 HB VAL A 65 10.383 -0.054 -2.585 1.00 11.03 H new ATOM 0 HG11 VAL A 65 12.448 -1.001 -1.778 1.00 25.14 H new ATOM 0 HG12 VAL A 65 11.390 -2.263 -2.454 1.00 25.14 H new ATOM 0 HG13 VAL A 65 12.786 -1.678 -3.389 1.00 25.14 H new ATOM 0 HG21 VAL A 65 12.375 1.370 -2.783 1.00 60.13 H new ATOM 0 HG22 VAL A 65 12.719 0.695 -4.393 1.00 60.13 H new ATOM 0 HG23 VAL A 65 11.254 1.671 -4.133 1.00 60.13 H new ATOM 942 N SER A 66 9.950 -3.287 -4.672 1.00 53.44 N ATOM 943 CA SER A 66 9.178 -4.505 -4.381 1.00 14.03 C ATOM 944 C SER A 66 8.987 -4.651 -2.880 1.00 52.30 C ATOM 945 O SER A 66 9.947 -4.633 -2.106 1.00 72.12 O ATOM 946 CB SER A 66 9.831 -5.797 -4.918 1.00 44.15 C ATOM 947 OG SER A 66 10.048 -5.678 -6.332 1.00 22.11 O ATOM 0 H SER A 66 10.766 -3.451 -5.262 1.00 53.44 H new ATOM 0 HA SER A 66 8.224 -4.383 -4.894 1.00 14.03 H new ATOM 0 HB2 SER A 66 10.778 -5.976 -4.409 1.00 44.15 H new ATOM 0 HB3 SER A 66 9.190 -6.654 -4.710 1.00 44.15 H new ATOM 0 HG SER A 66 10.464 -6.499 -6.669 1.00 22.11 H new ATOM 953 N LEU A 67 7.714 -4.730 -2.459 1.00 14.21 N ATOM 954 CA LEU A 67 7.364 -4.693 -1.066 1.00 2.21 C ATOM 955 C LEU A 67 7.081 -6.097 -0.640 1.00 2.33 C ATOM 956 O LEU A 67 7.099 -6.420 0.520 1.00 1.23 O ATOM 957 CB LEU A 67 6.053 -3.886 -0.878 1.00 11.03 C ATOM 958 CG LEU A 67 5.953 -3.062 0.391 1.00 44.51 C ATOM 959 CD1 LEU A 67 5.717 -3.906 1.639 1.00 73.14 C ATOM 960 CD2 LEU A 67 7.105 -2.059 0.532 1.00 31.23 C ATOM 0 H LEU A 67 6.916 -4.821 -3.087 1.00 14.21 H new ATOM 0 HA LEU A 67 8.171 -4.239 -0.491 1.00 2.21 H new ATOM 0 HB2 LEU A 67 5.936 -3.218 -1.731 1.00 11.03 H new ATOM 0 HB3 LEU A 67 5.215 -4.583 -0.902 1.00 11.03 H new ATOM 0 HG LEU A 67 5.051 -2.458 0.291 1.00 44.51 H new ATOM 0 HD11 LEU A 67 5.655 -3.256 2.512 1.00 73.14 H new ATOM 0 HD12 LEU A 67 4.784 -4.460 1.533 1.00 73.14 H new ATOM 0 HD13 LEU A 67 6.543 -4.606 1.766 1.00 73.14 H new ATOM 0 HD21 LEU A 67 6.985 -1.495 1.457 1.00 31.23 H new ATOM 0 HD22 LEU A 67 8.054 -2.595 0.554 1.00 31.23 H new ATOM 0 HD23 LEU A 67 7.096 -1.373 -0.315 1.00 31.23 H new ATOM 972 N GLU A 68 6.756 -6.963 -1.595 1.00 14.34 N ATOM 973 CA GLU A 68 6.350 -8.311 -1.252 1.00 21.44 C ATOM 974 C GLU A 68 7.531 -9.055 -0.622 1.00 52.32 C ATOM 975 O GLU A 68 8.643 -9.031 -1.136 1.00 11.12 O ATOM 976 CB GLU A 68 5.765 -9.097 -2.448 1.00 1.33 C ATOM 977 CG GLU A 68 6.674 -9.163 -3.695 1.00 52.13 C ATOM 978 CD GLU A 68 5.892 -9.813 -4.825 1.00 64.02 C ATOM 979 OE1 GLU A 68 4.709 -10.202 -4.601 1.00 63.01 O ATOM 980 OE2 GLU A 68 6.442 -9.933 -5.942 1.00 21.14 O ATOM 0 H GLU A 68 6.767 -6.756 -2.594 1.00 14.34 H new ATOM 0 HA GLU A 68 5.538 -8.234 -0.529 1.00 21.44 H new ATOM 0 HB2 GLU A 68 5.546 -10.114 -2.123 1.00 1.33 H new ATOM 0 HB3 GLU A 68 4.816 -8.642 -2.733 1.00 1.33 H new ATOM 0 HG2 GLU A 68 6.996 -8.162 -3.983 1.00 52.13 H new ATOM 0 HG3 GLU A 68 7.575 -9.737 -3.478 1.00 52.13 H new ATOM 987 N GLY A 69 7.292 -9.677 0.567 1.00 70.03 N ATOM 988 CA GLY A 69 8.355 -10.354 1.310 1.00 23.12 C ATOM 989 C GLY A 69 8.975 -9.368 2.270 1.00 43.20 C ATOM 990 O GLY A 69 9.678 -9.761 3.213 1.00 65.41 O ATOM 0 H GLY A 69 6.376 -9.715 1.015 1.00 70.03 H new ATOM 0 HA2 GLY A 69 7.952 -11.208 1.853 1.00 23.12 H new ATOM 0 HA3 GLY A 69 9.109 -10.740 0.624 1.00 23.12 H new ATOM 994 N ALA A 70 8.745 -8.065 2.052 1.00 12.14 N ATOM 995 CA ALA A 70 9.274 -7.041 2.921 1.00 20.04 C ATOM 996 C ALA A 70 8.373 -6.993 4.121 1.00 72.44 C ATOM 997 O ALA A 70 7.246 -7.447 4.062 1.00 4.24 O ATOM 998 CB ALA A 70 9.329 -5.669 2.256 1.00 32.15 C ATOM 0 H ALA A 70 8.191 -7.709 1.273 1.00 12.14 H new ATOM 0 HA ALA A 70 10.303 -7.286 3.185 1.00 20.04 H new ATOM 0 HB1 ALA A 70 9.735 -4.941 2.958 1.00 32.15 H new ATOM 0 HB2 ALA A 70 9.967 -5.718 1.374 1.00 32.15 H new ATOM 0 HB3 ALA A 70 8.324 -5.367 1.961 1.00 32.15 H new ATOM 1004 N THR A 71 8.896 -6.534 5.262 1.00 3.32 N ATOM 1005 CA THR A 71 8.216 -6.734 6.506 1.00 41.14 C ATOM 1006 C THR A 71 7.145 -5.667 6.699 1.00 64.31 C ATOM 1007 O THR A 71 7.000 -4.745 5.892 1.00 55.43 O ATOM 1008 CB THR A 71 9.182 -6.743 7.696 1.00 61.42 C ATOM 1009 OG1 THR A 71 9.796 -5.441 7.880 1.00 3.35 O ATOM 1010 CG2 THR A 71 10.290 -7.770 7.392 1.00 60.11 C ATOM 0 H THR A 71 9.780 -6.029 5.331 1.00 3.32 H new ATOM 0 HA THR A 71 7.743 -7.715 6.466 1.00 41.14 H new ATOM 0 HB THR A 71 8.634 -6.996 8.603 1.00 61.42 H new ATOM 0 HG1 THR A 71 10.406 -5.472 8.646 1.00 3.35 H new ATOM 0 HG21 THR A 71 10.996 -7.800 8.222 1.00 60.11 H new ATOM 0 HG22 THR A 71 9.845 -8.756 7.258 1.00 60.11 H new ATOM 0 HG23 THR A 71 10.814 -7.481 6.481 1.00 60.11 H new ATOM 1018 N HIS A 72 6.379 -5.800 7.816 1.00 2.41 N ATOM 1019 CA HIS A 72 5.342 -4.853 8.175 1.00 70.33 C ATOM 1020 C HIS A 72 5.998 -3.531 8.415 1.00 32.25 C ATOM 1021 O HIS A 72 5.602 -2.547 7.848 1.00 32.04 O ATOM 1022 CB HIS A 72 4.559 -5.271 9.450 1.00 72.12 C ATOM 1023 CG HIS A 72 3.371 -4.383 9.778 1.00 43.41 C ATOM 1024 ND1 HIS A 72 2.197 -4.894 10.271 1.00 4.12 N ATOM 1025 CD2 HIS A 72 3.236 -3.036 9.745 1.00 34.40 C ATOM 1026 CE1 HIS A 72 1.367 -3.883 10.524 1.00 51.42 C ATOM 1027 NE2 HIS A 72 1.981 -2.744 10.206 1.00 54.32 N ATOM 0 H HIS A 72 6.480 -6.571 8.476 1.00 2.41 H new ATOM 0 HA HIS A 72 4.620 -4.811 7.360 1.00 70.33 H new ATOM 0 HB2 HIS A 72 4.208 -6.295 9.326 1.00 72.12 H new ATOM 0 HB3 HIS A 72 5.243 -5.269 10.298 1.00 72.12 H new ATOM 0 HD2 HIS A 72 3.980 -2.325 9.416 1.00 34.40 H new ATOM 0 HE1 HIS A 72 0.366 -3.972 10.920 1.00 51.42 H new ATOM 0 HE2 HIS A 72 1.582 -1.809 10.292 1.00 54.32 H new ATOM 1036 N LYS A 73 7.055 -3.504 9.269 1.00 33.11 N ATOM 1037 CA LYS A 73 7.809 -2.276 9.549 1.00 50.44 C ATOM 1038 C LYS A 73 8.297 -1.628 8.262 1.00 53.32 C ATOM 1039 O LYS A 73 8.025 -0.456 8.022 1.00 62.41 O ATOM 1040 CB LYS A 73 9.061 -2.550 10.414 1.00 13.32 C ATOM 1041 CG LYS A 73 8.737 -3.047 11.829 1.00 25.44 C ATOM 1042 CD LYS A 73 9.965 -3.579 12.594 1.00 60.11 C ATOM 1043 CE LYS A 73 11.106 -2.560 12.766 1.00 13.34 C ATOM 1044 NZ LYS A 73 10.700 -1.438 13.627 1.00 43.32 N ATOM 0 H LYS A 73 7.396 -4.324 9.770 1.00 33.11 H new ATOM 0 HA LYS A 73 7.121 -1.620 10.082 1.00 50.44 H new ATOM 0 HB2 LYS A 73 9.683 -3.291 9.912 1.00 13.32 H new ATOM 0 HB3 LYS A 73 9.649 -1.635 10.486 1.00 13.32 H new ATOM 0 HG2 LYS A 73 8.291 -2.231 12.398 1.00 25.44 H new ATOM 0 HG3 LYS A 73 7.989 -3.837 11.765 1.00 25.44 H new ATOM 0 HD2 LYS A 73 9.644 -3.915 13.580 1.00 60.11 H new ATOM 0 HD3 LYS A 73 10.352 -4.453 12.070 1.00 60.11 H new ATOM 0 HE2 LYS A 73 11.976 -3.055 13.198 1.00 13.34 H new ATOM 0 HE3 LYS A 73 11.407 -2.181 11.790 1.00 13.34 H new ATOM 0 HZ1 LYS A 73 11.491 -0.770 13.722 1.00 43.32 H new ATOM 0 HZ2 LYS A 73 9.885 -0.951 13.202 1.00 43.32 H new ATOM 0 HZ3 LYS A 73 10.436 -1.799 14.566 1.00 43.32 H new ATOM 1058 N GLN A 74 9.066 -2.391 7.419 1.00 24.03 N ATOM 1059 CA GLN A 74 9.726 -1.800 6.279 1.00 51.12 C ATOM 1060 C GLN A 74 8.674 -1.196 5.343 1.00 31.21 C ATOM 1061 O GLN A 74 8.889 -0.137 4.752 1.00 42.12 O ATOM 1062 CB GLN A 74 10.614 -2.824 5.541 1.00 21.12 C ATOM 1063 CG GLN A 74 9.960 -3.525 4.442 1.00 0.03 C ATOM 1064 CD GLN A 74 10.267 -2.760 3.133 1.00 63.20 C ATOM 1065 OE1 GLN A 74 9.411 -2.120 2.566 1.00 54.11 O ATOM 1066 NE2 GLN A 74 11.524 -2.836 2.662 1.00 50.43 N ATOM 0 H GLN A 74 9.222 -3.393 7.531 1.00 24.03 H new ATOM 0 HA GLN A 74 10.389 -1.008 6.628 1.00 51.12 H new ATOM 0 HB2 GLN A 74 11.492 -2.308 5.152 1.00 21.12 H new ATOM 0 HB3 GLN A 74 10.970 -3.560 6.262 1.00 21.12 H new ATOM 0 HG2 GLN A 74 10.321 -4.551 4.377 1.00 0.03 H new ATOM 0 HG3 GLN A 74 8.884 -3.576 4.610 1.00 0.03 H new ATOM 0 HE21 GLN A 74 12.224 -3.384 3.163 1.00 50.43 H new ATOM 0 HE22 GLN A 74 11.778 -2.346 1.804 1.00 50.43 H new ATOM 1075 N ALA A 75 7.486 -1.881 5.247 1.00 2.13 N ATOM 1076 CA ALA A 75 6.359 -1.409 4.464 1.00 72.42 C ATOM 1077 C ALA A 75 6.052 0.008 4.831 1.00 64.12 C ATOM 1078 O ALA A 75 5.903 0.862 3.959 1.00 42.11 O ATOM 1079 CB ALA A 75 5.074 -2.214 4.697 1.00 21.14 C ATOM 0 H ALA A 75 7.314 -2.769 5.719 1.00 2.13 H new ATOM 0 HA ALA A 75 6.656 -1.518 3.421 1.00 72.42 H new ATOM 0 HB1 ALA A 75 4.273 -1.807 4.080 1.00 21.14 H new ATOM 0 HB2 ALA A 75 5.244 -3.257 4.429 1.00 21.14 H new ATOM 0 HB3 ALA A 75 4.791 -2.151 5.748 1.00 21.14 H new ATOM 1085 N VAL A 76 5.952 0.298 6.148 1.00 3.42 N ATOM 1086 CA VAL A 76 5.537 1.603 6.572 1.00 52.32 C ATOM 1087 C VAL A 76 6.680 2.570 6.325 1.00 34.40 C ATOM 1088 O VAL A 76 6.443 3.678 5.894 1.00 23.02 O ATOM 1089 CB VAL A 76 5.094 1.692 8.036 1.00 64.24 C ATOM 1090 CG1 VAL A 76 4.132 2.890 8.169 1.00 34.22 C ATOM 1091 CG2 VAL A 76 4.416 0.373 8.436 1.00 74.55 C ATOM 0 H VAL A 76 6.154 -0.357 6.903 1.00 3.42 H new ATOM 0 HA VAL A 76 4.652 1.856 5.988 1.00 52.32 H new ATOM 0 HB VAL A 76 5.943 1.845 8.702 1.00 64.24 H new ATOM 0 HG11 VAL A 76 3.800 2.977 9.204 1.00 34.22 H new ATOM 0 HG12 VAL A 76 4.647 3.805 7.875 1.00 34.22 H new ATOM 0 HG13 VAL A 76 3.268 2.736 7.523 1.00 34.22 H new ATOM 0 HG21 VAL A 76 4.098 0.429 9.477 1.00 74.55 H new ATOM 0 HG22 VAL A 76 3.548 0.203 7.800 1.00 74.55 H new ATOM 0 HG23 VAL A 76 5.121 -0.450 8.315 1.00 74.55 H new ATOM 1101 N CYS A 77 7.977 2.150 6.602 1.00 35.44 N ATOM 1102 CA CYS A 77 9.130 3.128 6.408 1.00 44.31 C ATOM 1103 C CYS A 77 9.036 3.635 4.951 1.00 51.53 C ATOM 1104 O CYS A 77 9.453 4.683 4.596 1.00 23.31 O ATOM 1105 CB CYS A 77 10.528 2.457 6.517 1.00 51.05 C ATOM 1106 SG CYS A 77 10.830 1.666 8.114 1.00 34.42 S ATOM 0 H CYS A 77 8.237 1.221 6.933 1.00 35.44 H new ATOM 0 HA CYS A 77 9.045 3.896 7.176 1.00 44.31 H new ATOM 0 HB2 CYS A 77 10.626 1.712 5.728 1.00 51.05 H new ATOM 0 HB3 CYS A 77 11.297 3.209 6.343 1.00 51.05 H new ATOM 0 HG CYS A 77 9.908 0.777 8.339 1.00 34.42 H new ATOM 1111 N THR A 78 8.715 2.681 4.048 1.00 13.22 N ATOM 1112 CA THR A 78 8.772 2.937 2.626 1.00 31.32 C ATOM 1113 C THR A 78 7.592 3.810 2.227 1.00 44.22 C ATOM 1114 O THR A 78 7.720 4.668 1.377 1.00 44.31 O ATOM 1115 CB THR A 78 8.791 1.651 1.813 1.00 21.24 C ATOM 1116 OG1 THR A 78 9.766 0.754 2.376 1.00 44.43 O ATOM 1117 CG2 THR A 78 9.213 1.984 0.365 1.00 51.45 C ATOM 0 H THR A 78 8.417 1.737 4.296 1.00 13.22 H new ATOM 0 HA THR A 78 9.705 3.458 2.409 1.00 31.32 H new ATOM 0 HB THR A 78 7.803 1.190 1.826 1.00 21.24 H new ATOM 0 HG1 THR A 78 9.434 0.404 3.229 1.00 44.43 H new ATOM 0 HG21 THR A 78 9.230 1.070 -0.228 1.00 51.45 H new ATOM 0 HG22 THR A 78 8.500 2.685 -0.070 1.00 51.45 H new ATOM 0 HG23 THR A 78 10.206 2.433 0.370 1.00 51.45 H new ATOM 1125 N LEU A 79 6.419 3.590 2.856 1.00 14.51 N ATOM 1126 CA LEU A 79 5.234 4.409 2.582 1.00 31.34 C ATOM 1127 C LEU A 79 5.441 5.790 3.166 1.00 60.41 C ATOM 1128 O LEU A 79 5.021 6.785 2.575 1.00 61.22 O ATOM 1129 CB LEU A 79 3.935 3.838 3.214 1.00 42.44 C ATOM 1130 CG LEU A 79 3.400 2.564 2.519 1.00 1.42 C ATOM 1131 CD1 LEU A 79 2.357 1.822 3.378 1.00 32.33 C ATOM 1132 CD2 LEU A 79 2.881 2.843 1.087 1.00 51.01 C ATOM 0 H LEU A 79 6.274 2.857 3.550 1.00 14.51 H new ATOM 0 HA LEU A 79 5.114 4.424 1.499 1.00 31.34 H new ATOM 0 HB2 LEU A 79 4.123 3.614 4.264 1.00 42.44 H new ATOM 0 HB3 LEU A 79 3.162 4.606 3.185 1.00 42.44 H new ATOM 0 HG LEU A 79 4.254 1.894 2.414 1.00 1.42 H new ATOM 0 HD11 LEU A 79 2.012 0.935 2.846 1.00 32.33 H new ATOM 0 HD12 LEU A 79 2.810 1.525 4.324 1.00 32.33 H new ATOM 0 HD13 LEU A 79 1.510 2.481 3.572 1.00 32.33 H new ATOM 0 HD21 LEU A 79 2.517 1.916 0.645 1.00 51.01 H new ATOM 0 HD22 LEU A 79 2.068 3.568 1.129 1.00 51.01 H new ATOM 0 HD23 LEU A 79 3.692 3.242 0.477 1.00 51.01 H new ATOM 1144 N ARG A 80 6.042 5.864 4.369 1.00 34.23 N ATOM 1145 CA ARG A 80 6.130 7.114 5.092 1.00 43.44 C ATOM 1146 C ARG A 80 7.240 7.959 4.519 1.00 11.24 C ATOM 1147 O ARG A 80 6.992 9.086 4.111 1.00 52.31 O ATOM 1148 CB ARG A 80 6.406 6.938 6.608 1.00 34.10 C ATOM 1149 CG ARG A 80 6.382 8.273 7.354 1.00 12.42 C ATOM 1150 CD ARG A 80 6.675 8.172 8.854 1.00 54.31 C ATOM 1151 NE ARG A 80 6.646 9.574 9.385 1.00 65.01 N ATOM 1152 CZ ARG A 80 5.465 10.237 9.611 1.00 35.53 C ATOM 1153 NH1 ARG A 80 4.276 9.551 9.640 1.00 74.43 N ATOM 1154 NH2 ARG A 80 5.494 11.581 9.800 1.00 71.24 N ATOM 0 H ARG A 80 6.467 5.068 4.845 1.00 34.23 H new ATOM 0 HA ARG A 80 5.156 7.590 4.980 1.00 43.44 H new ATOM 0 HB2 ARG A 80 5.660 6.270 7.037 1.00 34.10 H new ATOM 0 HB3 ARG A 80 7.377 6.463 6.747 1.00 34.10 H new ATOM 0 HG2 ARG A 80 7.113 8.941 6.899 1.00 12.42 H new ATOM 0 HG3 ARG A 80 5.403 8.732 7.219 1.00 12.42 H new ATOM 0 HD2 ARG A 80 5.931 7.552 9.354 1.00 54.31 H new ATOM 0 HD3 ARG A 80 7.646 7.710 9.030 1.00 54.31 H new ATOM 0 HE ARG A 80 7.527 10.048 9.584 1.00 65.01 H new ATOM 0 HH11 ARG A 80 4.266 8.542 9.493 1.00 74.43 H new ATOM 0 HH12 ARG A 80 3.403 10.051 9.809 1.00 74.43 H new ATOM 0 HH21 ARG A 80 6.383 12.081 9.773 1.00 71.24 H new ATOM 0 HH22 ARG A 80 4.627 12.091 9.969 1.00 71.24 H new ATOM 1168 N ASN A 81 8.511 7.433 4.563 1.00 31.12 N ATOM 1169 CA ASN A 81 9.739 8.184 4.140 1.00 73.33 C ATOM 1170 C ASN A 81 9.727 8.447 2.629 1.00 35.43 C ATOM 1171 O ASN A 81 10.601 8.004 1.885 1.00 71.45 O ATOM 1172 CB ASN A 81 11.055 7.426 4.505 1.00 45.34 C ATOM 1173 CG ASN A 81 12.246 8.382 4.398 1.00 74.05 C ATOM 1174 OD1 ASN A 81 12.358 9.348 5.164 1.00 43.00 O ATOM 1175 ND2 ASN A 81 13.163 8.120 3.455 1.00 31.45 N ATOM 0 H ASN A 81 8.707 6.487 4.890 1.00 31.12 H new ATOM 0 HA ASN A 81 9.720 9.128 4.684 1.00 73.33 H new ATOM 0 HB2 ASN A 81 10.987 7.026 5.517 1.00 45.34 H new ATOM 0 HB3 ASN A 81 11.196 6.578 3.835 1.00 45.34 H new ATOM 0 HD21 ASN A 81 13.979 8.724 3.355 1.00 31.45 H new ATOM 0 HD22 ASN A 81 13.045 7.317 2.838 1.00 31.45 H new ATOM 1182 N THR A 82 8.717 9.157 2.190 1.00 22.22 N ATOM 1183 CA THR A 82 8.520 9.504 0.827 1.00 3.34 C ATOM 1184 C THR A 82 8.333 10.992 0.778 1.00 51.00 C ATOM 1185 O THR A 82 8.436 11.686 1.808 1.00 13.24 O ATOM 1186 CB THR A 82 7.281 8.827 0.283 1.00 31.40 C ATOM 1187 OG1 THR A 82 6.204 8.963 1.235 1.00 55.02 O ATOM 1188 CG2 THR A 82 7.635 7.345 0.127 1.00 21.04 C ATOM 0 H THR A 82 7.988 9.517 2.806 1.00 22.22 H new ATOM 0 HA THR A 82 9.372 9.186 0.226 1.00 3.34 H new ATOM 0 HB THR A 82 6.967 9.267 -0.664 1.00 31.40 H new ATOM 0 HG1 THR A 82 5.962 8.080 1.584 1.00 55.02 H new ATOM 0 HG21 THR A 82 6.773 6.804 -0.264 1.00 21.04 H new ATOM 0 HG22 THR A 82 8.472 7.242 -0.563 1.00 21.04 H new ATOM 0 HG23 THR A 82 7.912 6.933 1.097 1.00 21.04 H new ATOM 1196 N GLY A 83 8.054 11.508 -0.427 1.00 25.15 N ATOM 1197 CA GLY A 83 7.861 12.912 -0.623 1.00 2.04 C ATOM 1198 C GLY A 83 6.408 13.192 -0.407 1.00 22.10 C ATOM 1199 O GLY A 83 5.753 12.533 0.390 1.00 65.25 O ATOM 0 H GLY A 83 7.961 10.950 -1.275 1.00 25.15 H new ATOM 0 HA2 GLY A 83 8.471 13.486 0.075 1.00 2.04 H new ATOM 0 HA3 GLY A 83 8.164 13.206 -1.628 1.00 2.04 H new ATOM 1203 N GLN A 84 5.890 14.217 -1.117 1.00 31.10 N ATOM 1204 CA GLN A 84 4.537 14.663 -0.913 1.00 34.31 C ATOM 1205 C GLN A 84 3.582 13.583 -1.368 1.00 44.31 C ATOM 1206 O GLN A 84 2.731 13.135 -0.596 1.00 51.11 O ATOM 1207 CB GLN A 84 4.200 15.952 -1.703 1.00 32.12 C ATOM 1208 CG GLN A 84 2.798 16.489 -1.390 1.00 11.03 C ATOM 1209 CD GLN A 84 2.514 17.685 -2.289 1.00 50.25 C ATOM 1210 OE1 GLN A 84 2.682 17.608 -3.507 1.00 10.01 O ATOM 1211 NE2 GLN A 84 2.076 18.799 -1.702 1.00 43.35 N ATOM 0 H GLN A 84 6.404 14.736 -1.829 1.00 31.10 H new ATOM 0 HA GLN A 84 4.436 14.878 0.151 1.00 34.31 H new ATOM 0 HB2 GLN A 84 4.939 16.719 -1.471 1.00 32.12 H new ATOM 0 HB3 GLN A 84 4.277 15.749 -2.771 1.00 32.12 H new ATOM 0 HG2 GLN A 84 2.052 15.711 -1.551 1.00 11.03 H new ATOM 0 HG3 GLN A 84 2.732 16.781 -0.342 1.00 11.03 H new ATOM 0 HE21 GLN A 84 1.949 18.826 -0.690 1.00 43.35 H new ATOM 0 HE22 GLN A 84 1.868 19.624 -2.265 1.00 43.35 H new ATOM 1220 N VAL A 85 3.701 13.141 -2.631 1.00 71.41 N ATOM 1221 CA VAL A 85 2.799 12.157 -3.156 1.00 62.42 C ATOM 1222 C VAL A 85 3.588 10.895 -3.286 1.00 32.40 C ATOM 1223 O VAL A 85 4.796 10.929 -3.531 1.00 21.52 O ATOM 1224 CB VAL A 85 2.219 12.582 -4.499 1.00 64.12 C ATOM 1225 CG1 VAL A 85 1.393 11.450 -5.119 1.00 55.45 C ATOM 1226 CG2 VAL A 85 1.369 13.836 -4.236 1.00 62.25 C ATOM 0 H VAL A 85 4.414 13.459 -3.287 1.00 71.41 H new ATOM 0 HA VAL A 85 1.944 12.025 -2.493 1.00 62.42 H new ATOM 0 HB VAL A 85 3.007 12.806 -5.217 1.00 64.12 H new ATOM 0 HG11 VAL A 85 0.989 11.777 -6.077 1.00 55.45 H new ATOM 0 HG12 VAL A 85 2.028 10.578 -5.272 1.00 55.45 H new ATOM 0 HG13 VAL A 85 0.573 11.189 -4.450 1.00 55.45 H new ATOM 0 HG21 VAL A 85 0.930 14.181 -5.172 1.00 62.25 H new ATOM 0 HG22 VAL A 85 0.575 13.596 -3.529 1.00 62.25 H new ATOM 0 HG23 VAL A 85 1.999 14.622 -3.820 1.00 62.25 H new ATOM 1236 N VAL A 86 2.922 9.757 -3.046 1.00 60.20 N ATOM 1237 CA VAL A 86 3.582 8.504 -2.962 1.00 74.45 C ATOM 1238 C VAL A 86 2.994 7.650 -4.048 1.00 24.31 C ATOM 1239 O VAL A 86 1.802 7.760 -4.360 1.00 74.12 O ATOM 1240 CB VAL A 86 3.313 7.826 -1.622 1.00 23.12 C ATOM 1241 CG1 VAL A 86 4.230 6.585 -1.477 1.00 74.54 C ATOM 1242 CG2 VAL A 86 3.531 8.869 -0.505 1.00 32.05 C ATOM 0 H VAL A 86 1.912 9.709 -2.909 1.00 60.20 H new ATOM 0 HA VAL A 86 4.659 8.639 -3.062 1.00 74.45 H new ATOM 0 HB VAL A 86 2.287 7.466 -1.553 1.00 23.12 H new ATOM 0 HG11 VAL A 86 4.038 6.101 -0.520 1.00 74.54 H new ATOM 0 HG12 VAL A 86 4.024 5.884 -2.286 1.00 74.54 H new ATOM 0 HG13 VAL A 86 5.274 6.896 -1.523 1.00 74.54 H new ATOM 0 HG21 VAL A 86 3.344 8.408 0.465 1.00 32.05 H new ATOM 0 HG22 VAL A 86 4.558 9.233 -0.542 1.00 32.05 H new ATOM 0 HG23 VAL A 86 2.845 9.704 -0.648 1.00 32.05 H new ATOM 1252 N HIS A 87 3.824 6.773 -4.642 1.00 44.34 N ATOM 1253 CA HIS A 87 3.338 5.807 -5.592 1.00 23.15 C ATOM 1254 C HIS A 87 3.369 4.497 -4.893 1.00 25.35 C ATOM 1255 O HIS A 87 4.396 4.108 -4.325 1.00 44.52 O ATOM 1256 CB HIS A 87 4.219 5.637 -6.845 1.00 4.11 C ATOM 1257 CG HIS A 87 4.263 6.841 -7.723 1.00 45.13 C ATOM 1258 ND1 HIS A 87 4.989 7.956 -7.413 1.00 52.45 N ATOM 1259 CD2 HIS A 87 3.663 7.065 -8.900 1.00 61.04 C ATOM 1260 CE1 HIS A 87 4.827 8.842 -8.392 1.00 70.34 C ATOM 1261 NE2 HIS A 87 4.024 8.310 -9.307 1.00 3.53 N ATOM 0 H HIS A 87 4.828 6.729 -4.469 1.00 44.34 H new ATOM 0 HA HIS A 87 2.358 6.146 -5.927 1.00 23.15 H new ATOM 0 HB2 HIS A 87 5.234 5.391 -6.532 1.00 4.11 H new ATOM 0 HB3 HIS A 87 3.850 4.791 -7.424 1.00 4.11 H new ATOM 0 HD2 HIS A 87 3.013 6.382 -9.427 1.00 61.04 H new ATOM 0 HE1 HIS A 87 5.272 9.825 -8.436 1.00 70.34 H new ATOM 0 HE2 HIS A 87 3.727 8.762 -10.172 1.00 3.53 H new ATOM 1270 N LEU A 88 2.261 3.790 -4.928 1.00 34.23 N ATOM 1271 CA LEU A 88 2.221 2.467 -4.398 1.00 21.01 C ATOM 1272 C LEU A 88 1.394 1.678 -5.342 1.00 44.34 C ATOM 1273 O LEU A 88 0.295 2.071 -5.697 1.00 2.24 O ATOM 1274 CB LEU A 88 1.658 2.319 -2.935 1.00 44.32 C ATOM 1275 CG LEU A 88 0.648 3.410 -2.435 1.00 11.35 C ATOM 1276 CD1 LEU A 88 1.303 4.745 -2.027 1.00 12.33 C ATOM 1277 CD2 LEU A 88 -0.580 3.597 -3.323 1.00 63.13 C ATOM 0 H LEU A 88 1.380 4.120 -5.321 1.00 34.23 H new ATOM 0 HA LEU A 88 3.249 2.117 -4.306 1.00 21.01 H new ATOM 0 HB2 LEU A 88 1.169 1.348 -2.859 1.00 44.32 H new ATOM 0 HB3 LEU A 88 2.505 2.304 -2.249 1.00 44.32 H new ATOM 0 HG LEU A 88 0.263 2.984 -1.509 1.00 11.35 H new ATOM 0 HD11 LEU A 88 0.533 5.441 -1.694 1.00 12.33 H new ATOM 0 HD12 LEU A 88 2.010 4.571 -1.216 1.00 12.33 H new ATOM 0 HD13 LEU A 88 1.830 5.168 -2.882 1.00 12.33 H new ATOM 0 HD21 LEU A 88 -1.221 4.370 -2.899 1.00 63.13 H new ATOM 0 HD22 LEU A 88 -0.264 3.895 -4.323 1.00 63.13 H new ATOM 0 HD23 LEU A 88 -1.133 2.659 -3.382 1.00 63.13 H new ATOM 1289 N LEU A 89 1.947 0.565 -5.840 1.00 5.52 N ATOM 1290 CA LEU A 89 1.237 -0.283 -6.753 1.00 64.23 C ATOM 1291 C LEU A 89 0.326 -1.119 -5.941 1.00 62.52 C ATOM 1292 O LEU A 89 0.709 -1.615 -4.874 1.00 61.12 O ATOM 1293 CB LEU A 89 2.182 -1.281 -7.481 1.00 44.22 C ATOM 1294 CG LEU A 89 3.049 -0.688 -8.586 1.00 74.02 C ATOM 1295 CD1 LEU A 89 2.223 -0.285 -9.796 1.00 23.12 C ATOM 1296 CD2 LEU A 89 3.990 0.418 -8.100 1.00 33.21 C ATOM 0 H LEU A 89 2.889 0.246 -5.613 1.00 5.52 H new ATOM 0 HA LEU A 89 0.738 0.348 -7.488 1.00 64.23 H new ATOM 0 HB2 LEU A 89 2.836 -1.740 -6.739 1.00 44.22 H new ATOM 0 HB3 LEU A 89 1.576 -2.079 -7.910 1.00 44.22 H new ATOM 0 HG LEU A 89 3.714 -1.487 -8.914 1.00 74.02 H new ATOM 0 HD11 LEU A 89 2.878 0.133 -10.561 1.00 23.12 H new ATOM 0 HD12 LEU A 89 1.712 -1.161 -10.195 1.00 23.12 H new ATOM 0 HD13 LEU A 89 1.486 0.462 -9.501 1.00 23.12 H new ATOM 0 HD21 LEU A 89 4.575 0.793 -8.940 1.00 33.21 H new ATOM 0 HD22 LEU A 89 3.404 1.233 -7.674 1.00 33.21 H new ATOM 0 HD23 LEU A 89 4.661 0.017 -7.340 1.00 33.21 H new ATOM 1308 N LEU A 90 -0.895 -1.293 -6.439 1.00 62.14 N ATOM 1309 CA LEU A 90 -1.866 -2.080 -5.752 1.00 73.11 C ATOM 1310 C LEU A 90 -2.045 -3.280 -6.589 1.00 33.12 C ATOM 1311 O LEU A 90 -1.869 -3.223 -7.816 1.00 73.12 O ATOM 1312 CB LEU A 90 -3.293 -1.448 -5.622 1.00 1.41 C ATOM 1313 CG LEU A 90 -3.369 0.089 -5.457 1.00 53.40 C ATOM 1314 CD1 LEU A 90 -2.608 0.654 -4.260 1.00 10.55 C ATOM 1315 CD2 LEU A 90 -3.048 0.838 -6.742 1.00 72.10 C ATOM 0 H LEU A 90 -1.218 -0.891 -7.319 1.00 62.14 H new ATOM 0 HA LEU A 90 -1.497 -2.228 -4.737 1.00 73.11 H new ATOM 0 HB2 LEU A 90 -3.867 -1.722 -6.507 1.00 1.41 H new ATOM 0 HB3 LEU A 90 -3.789 -1.905 -4.766 1.00 1.41 H new ATOM 0 HG LEU A 90 -4.419 0.270 -5.226 1.00 53.40 H new ATOM 0 HD11 LEU A 90 -2.724 1.737 -4.234 1.00 10.55 H new ATOM 0 HD12 LEU A 90 -3.005 0.224 -3.340 1.00 10.55 H new ATOM 0 HD13 LEU A 90 -1.551 0.404 -4.350 1.00 10.55 H new ATOM 0 HD21 LEU A 90 -3.117 1.911 -6.565 1.00 72.10 H new ATOM 0 HD22 LEU A 90 -2.038 0.588 -7.066 1.00 72.10 H new ATOM 0 HD23 LEU A 90 -3.759 0.552 -7.517 1.00 72.10 H new ATOM 1327 N GLU A 91 -2.455 -4.366 -5.973 1.00 61.41 N ATOM 1328 CA GLU A 91 -2.946 -5.490 -6.673 1.00 64.04 C ATOM 1329 C GLU A 91 -4.305 -5.602 -6.117 1.00 55.43 C ATOM 1330 O GLU A 91 -4.474 -5.480 -4.895 1.00 62.03 O ATOM 1331 CB GLU A 91 -2.199 -6.797 -6.305 1.00 32.30 C ATOM 1332 CG GLU A 91 -2.717 -8.066 -7.004 1.00 60.14 C ATOM 1333 CD GLU A 91 -2.030 -9.242 -6.357 1.00 12.42 C ATOM 1334 OE1 GLU A 91 -2.218 -9.439 -5.145 1.00 70.14 O ATOM 1335 OE2 GLU A 91 -1.270 -9.958 -7.043 1.00 34.43 O ATOM 0 H GLU A 91 -2.449 -4.476 -4.959 1.00 61.41 H new ATOM 0 HA GLU A 91 -2.855 -5.370 -7.753 1.00 64.04 H new ATOM 0 HB2 GLU A 91 -1.143 -6.674 -6.546 1.00 32.30 H new ATOM 0 HB3 GLU A 91 -2.264 -6.943 -5.227 1.00 32.30 H new ATOM 0 HG2 GLU A 91 -3.799 -8.148 -6.901 1.00 60.14 H new ATOM 0 HG3 GLU A 91 -2.500 -8.033 -8.072 1.00 60.14 H new ATOM 1342 N LYS A 92 -5.333 -5.795 -6.971 1.00 25.41 N ATOM 1343 CA LYS A 92 -6.670 -5.989 -6.434 1.00 50.23 C ATOM 1344 C LYS A 92 -6.656 -7.225 -5.597 1.00 22.23 C ATOM 1345 O LYS A 92 -6.220 -8.284 -6.036 1.00 24.21 O ATOM 1346 CB LYS A 92 -7.804 -6.113 -7.483 1.00 43.30 C ATOM 1347 CG LYS A 92 -8.115 -4.794 -8.205 1.00 41.40 C ATOM 1348 CD LYS A 92 -8.467 -3.629 -7.245 1.00 71.33 C ATOM 1349 CE LYS A 92 -9.730 -3.867 -6.389 1.00 45.52 C ATOM 1350 NZ LYS A 92 -9.898 -2.776 -5.416 1.00 64.31 N ATOM 0 H LYS A 92 -5.258 -5.818 -7.988 1.00 25.41 H new ATOM 0 HA LYS A 92 -6.900 -5.086 -5.868 1.00 50.23 H new ATOM 0 HB2 LYS A 92 -7.525 -6.865 -8.221 1.00 43.30 H new ATOM 0 HB3 LYS A 92 -8.708 -6.470 -6.989 1.00 43.30 H new ATOM 0 HG2 LYS A 92 -7.254 -4.508 -8.809 1.00 41.40 H new ATOM 0 HG3 LYS A 92 -8.947 -4.952 -8.891 1.00 41.40 H new ATOM 0 HD2 LYS A 92 -7.621 -3.453 -6.581 1.00 71.33 H new ATOM 0 HD3 LYS A 92 -8.606 -2.721 -7.831 1.00 71.33 H new ATOM 0 HE2 LYS A 92 -10.608 -3.929 -7.032 1.00 45.52 H new ATOM 0 HE3 LYS A 92 -9.650 -4.820 -5.867 1.00 45.52 H new ATOM 0 HZ1 LYS A 92 -10.491 -3.103 -4.627 1.00 64.31 H new ATOM 0 HZ2 LYS A 92 -8.967 -2.488 -5.053 1.00 64.31 H new ATOM 0 HZ3 LYS A 92 -10.355 -1.965 -5.879 1.00 64.31 H new ATOM 1364 N GLY A 93 -7.144 -7.083 -4.355 1.00 13.31 N ATOM 1365 CA GLY A 93 -7.070 -8.143 -3.375 1.00 52.21 C ATOM 1366 C GLY A 93 -8.350 -8.865 -3.434 1.00 21.44 C ATOM 1367 O GLY A 93 -8.660 -9.689 -2.576 1.00 43.21 O ATOM 0 H GLY A 93 -7.595 -6.232 -4.018 1.00 13.31 H new ATOM 0 HA2 GLY A 93 -6.238 -8.813 -3.592 1.00 52.21 H new ATOM 0 HA3 GLY A 93 -6.901 -7.737 -2.378 1.00 52.21 H new