USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 969 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 13 THR OG1 : rot -63:sc= 0.827 USER MOD Set 1.2: A 147 SER OG : rot -163:sc= -2.48 USER MOD Set 2.1: A 144 SER OG : rot 122:sc= -0.409 USER MOD Set 2.2: A 145 GLN : amide:sc= -12.2! C(o=-13!,f=-14!) USER MOD Set 3.1: A 27 THR OG1 : rot 65:sc= 0.00708! USER MOD Set 3.2: A 28 SER OG : rot 100:sc= -5.08! USER MOD Single : A 12 HIS :FLIP no HE2:sc= -8.01! C(o=-9.9!,f=-8!) USER MOD Single : A 14 SER OG : rot -19:sc= -0.269 USER MOD Single : A 18 SER OG : rot 38:sc= 1.27 USER MOD Single : A 23 SER OG : rot 180:sc= -0.183 USER MOD Single : A 25 TYR OH : rot 180:sc= -1.59 USER MOD Single : A 37 MET CE :methyl -157:sc= -3.17! (180deg=-4.14!) USER MOD Single : A 45 GLN : amide:sc= -13.5! C(o=-14!,f=-23!) USER MOD Single : A 47 ASN :FLIP amide:sc= -12.8! C(o=-17!,f=-13!) USER MOD Single : A 55 TYR OH : rot 15:sc= -1.9 USER MOD Single : A 56 ASN :FLIP amide:sc= -0.161 F(o=-1.9!,f=-0.16) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot -60:sc= -1.97! USER MOD Single : A 69 SER OG : rot -65:sc= 0.984 USER MOD Single : A 71 THR OG1 : rot 19:sc= -10.4! USER MOD Single : A 73 SER OG : rot 180:sc= -0.149 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl -151:sc= -1.53 (180deg=-3.19!) USER MOD Single : A 93 THR OG1 : rot 133:sc= -0.529! USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.474! USER MOD Single : A 108 THR OG1 : rot -82:sc= 0.0796 USER MOD Single : A 111 TYR OH : rot 165:sc= -1.61 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -63:sc= -5.69! USER MOD Single : A 116 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0941 USER MOD Single : A 128 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-2.5!) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 TYR OH : rot 26:sc= -2.76! USER MOD Single : A 149 THR OG1 : rot 115:sc= 0.167! USER MOD Single : A 150 THR OG1 : rot 79:sc= 0.303 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 7 -11.321 -10.126 -11.169 1.00 2.11 N ATOM 82 CA VAL A 7 -12.116 -9.044 -11.812 1.00 2.12 C ATOM 83 C VAL A 7 -11.293 -7.754 -11.843 1.00 2.11 C ATOM 84 O VAL A 7 -11.528 -6.837 -11.082 1.00 2.83 O ATOM 85 CB VAL A 7 -13.399 -8.809 -11.012 1.00 2.16 C ATOM 86 CG1 VAL A 7 -14.238 -7.729 -11.697 1.00 2.17 C ATOM 87 CG2 VAL A 7 -14.201 -10.110 -10.945 1.00 2.42 C ATOM 0 HA VAL A 7 -12.370 -9.338 -12.830 1.00 2.12 H new ATOM 0 HB VAL A 7 -13.144 -8.485 -10.003 1.00 2.16 H new ATOM 0 HG11 VAL A 7 -15.152 -7.562 -11.127 1.00 2.17 H new ATOM 0 HG12 VAL A 7 -13.667 -6.802 -11.747 1.00 2.17 H new ATOM 0 HG13 VAL A 7 -14.494 -8.052 -12.706 1.00 2.17 H new ATOM 0 HG21 VAL A 7 -15.116 -9.945 -10.375 1.00 2.42 H new ATOM 0 HG22 VAL A 7 -14.456 -10.433 -11.954 1.00 2.42 H new ATOM 0 HG23 VAL A 7 -13.604 -10.881 -10.457 1.00 2.42 H new ATOM 97 N GLU A 8 -10.330 -7.675 -12.720 1.00 1.96 N ATOM 98 CA GLU A 8 -9.494 -6.444 -12.800 1.00 2.32 C ATOM 99 C GLU A 8 -10.366 -5.218 -12.523 1.00 2.30 C ATOM 100 O GLU A 8 -11.096 -4.758 -13.377 1.00 2.59 O ATOM 101 CB GLU A 8 -8.886 -6.332 -14.200 1.00 3.06 C ATOM 102 CG GLU A 8 -7.476 -5.745 -14.099 1.00 3.55 C ATOM 103 CD GLU A 8 -6.464 -6.878 -13.919 1.00 4.20 C ATOM 104 OE1 GLU A 8 -6.364 -7.389 -12.815 1.00 4.42 O ATOM 105 OE2 GLU A 8 -5.804 -7.217 -14.888 1.00 4.75 O ATOM 0 H GLU A 8 -10.086 -8.409 -13.384 1.00 1.96 H new ATOM 0 HA GLU A 8 -8.695 -6.497 -12.060 1.00 2.32 H new ATOM 0 HB2 GLU A 8 -8.850 -7.314 -14.672 1.00 3.06 H new ATOM 0 HB3 GLU A 8 -9.511 -5.699 -14.830 1.00 3.06 H new ATOM 0 HG2 GLU A 8 -7.243 -5.174 -14.998 1.00 3.55 H new ATOM 0 HG3 GLU A 8 -7.418 -5.054 -13.258 1.00 3.55 H new ATOM 112 N LEU A 9 -10.296 -4.686 -11.332 1.00 2.76 N ATOM 113 CA LEU A 9 -11.123 -3.494 -11.000 1.00 3.48 C ATOM 114 C LEU A 9 -10.245 -2.241 -11.002 1.00 3.43 C ATOM 115 O LEU A 9 -10.655 -1.185 -10.563 1.00 4.12 O ATOM 116 CB LEU A 9 -11.742 -3.680 -9.614 1.00 3.72 C ATOM 117 CG LEU A 9 -13.102 -4.367 -9.749 1.00 4.22 C ATOM 118 CD1 LEU A 9 -13.620 -4.753 -8.362 1.00 4.95 C ATOM 119 CD2 LEU A 9 -14.093 -3.407 -10.412 1.00 3.49 C ATOM 0 H LEU A 9 -9.702 -5.026 -10.576 1.00 2.76 H new ATOM 0 HA LEU A 9 -11.913 -3.381 -11.743 1.00 3.48 H new ATOM 0 HB2 LEU A 9 -11.081 -4.278 -8.987 1.00 3.72 H new ATOM 0 HB3 LEU A 9 -11.858 -2.714 -9.124 1.00 3.72 H new ATOM 0 HG LEU A 9 -12.997 -5.263 -10.360 1.00 4.22 H new ATOM 0 HD11 LEU A 9 -14.589 -5.242 -8.459 1.00 4.95 H new ATOM 0 HD12 LEU A 9 -12.915 -5.435 -7.887 1.00 4.95 H new ATOM 0 HD13 LEU A 9 -13.726 -3.857 -7.751 1.00 4.95 H new ATOM 0 HD21 LEU A 9 -15.063 -3.895 -10.509 1.00 3.49 H new ATOM 0 HD22 LEU A 9 -14.197 -2.511 -9.800 1.00 3.49 H new ATOM 0 HD23 LEU A 9 -13.726 -3.130 -11.400 1.00 3.49 H new ATOM 131 N LEU A 10 -9.041 -2.345 -11.494 1.00 2.81 N ATOM 132 CA LEU A 10 -8.146 -1.155 -11.521 1.00 2.72 C ATOM 133 C LEU A 10 -7.885 -0.777 -12.985 1.00 2.86 C ATOM 134 O LEU A 10 -7.274 -1.531 -13.716 1.00 2.83 O ATOM 135 CB LEU A 10 -6.819 -1.507 -10.846 1.00 2.41 C ATOM 136 CG LEU A 10 -6.263 -0.279 -10.126 1.00 2.12 C ATOM 137 CD1 LEU A 10 -6.766 -0.260 -8.682 1.00 1.99 C ATOM 138 CD2 LEU A 10 -4.736 -0.345 -10.128 1.00 2.07 C ATOM 0 H LEU A 10 -8.639 -3.201 -11.878 1.00 2.81 H new ATOM 0 HA LEU A 10 -8.611 -0.322 -10.994 1.00 2.72 H new ATOM 0 HB2 LEU A 10 -6.966 -2.321 -10.136 1.00 2.41 H new ATOM 0 HB3 LEU A 10 -6.104 -1.859 -11.590 1.00 2.41 H new ATOM 0 HG LEU A 10 -6.595 0.625 -10.637 1.00 2.12 H new ATOM 0 HD11 LEU A 10 -6.369 0.616 -8.170 1.00 1.99 H new ATOM 0 HD12 LEU A 10 -7.855 -0.221 -8.677 1.00 1.99 H new ATOM 0 HD13 LEU A 10 -6.433 -1.162 -8.169 1.00 1.99 H new ATOM 0 HD21 LEU A 10 -4.333 0.529 -9.616 1.00 2.07 H new ATOM 0 HD22 LEU A 10 -4.410 -1.249 -9.614 1.00 2.07 H new ATOM 0 HD23 LEU A 10 -4.374 -0.362 -11.156 1.00 2.07 H new ATOM 150 N PRO A 11 -8.357 0.363 -13.421 1.00 3.10 N ATOM 151 CA PRO A 11 -8.180 0.822 -14.832 1.00 3.32 C ATOM 152 C PRO A 11 -6.732 0.729 -15.333 1.00 2.96 C ATOM 153 O PRO A 11 -6.370 1.362 -16.305 1.00 3.09 O ATOM 154 CB PRO A 11 -8.630 2.284 -14.805 1.00 3.83 C ATOM 155 CG PRO A 11 -9.550 2.401 -13.636 1.00 3.73 C ATOM 156 CD PRO A 11 -9.118 1.341 -12.623 1.00 3.29 C ATOM 0 HA PRO A 11 -8.750 0.191 -15.514 1.00 3.32 H new ATOM 0 HB2 PRO A 11 -7.777 2.954 -14.701 1.00 3.83 H new ATOM 0 HB3 PRO A 11 -9.137 2.555 -15.731 1.00 3.83 H new ATOM 0 HG2 PRO A 11 -9.494 3.398 -13.199 1.00 3.73 H new ATOM 0 HG3 PRO A 11 -10.584 2.244 -13.942 1.00 3.73 H new ATOM 0 HD2 PRO A 11 -8.504 1.773 -11.833 1.00 3.29 H new ATOM 0 HD3 PRO A 11 -9.979 0.877 -12.141 1.00 3.29 H new ATOM 164 N HIS A 12 -5.901 -0.056 -14.702 1.00 2.52 N ATOM 165 CA HIS A 12 -4.493 -0.170 -15.183 1.00 2.16 C ATOM 166 C HIS A 12 -3.769 -1.303 -14.451 1.00 1.83 C ATOM 167 O HIS A 12 -3.880 -1.453 -13.250 1.00 1.69 O ATOM 168 CB HIS A 12 -3.751 1.143 -14.934 1.00 2.13 C ATOM 169 CG HIS A 12 -2.358 1.031 -15.488 1.00 1.93 C ATOM 170 ND1 HIS A 12 -1.139 0.847 -14.880 1.00 1.98 N flip ATOM 171 CD2 HIS A 12 -2.095 1.093 -16.848 1.00 1.81 C flip ATOM 172 CE1 HIS A 12 -0.138 0.796 -15.846 1.00 1.94 C flip ATOM 173 NE2 HIS A 12 -0.769 0.948 -17.013 1.00 1.82 N flip ATOM 0 H HIS A 12 -6.132 -0.618 -13.883 1.00 2.52 H new ATOM 0 HA HIS A 12 -4.509 -0.387 -16.251 1.00 2.16 H new ATOM 0 HB2 HIS A 12 -4.279 1.970 -15.409 1.00 2.13 H new ATOM 0 HB3 HIS A 12 -3.715 1.359 -13.866 1.00 2.13 H new ATOM 0 HD1 HIS A 12 -0.991 0.761 -13.875 1.00 1.98 H new ATOM 0 HD2 HIS A 12 -2.824 1.233 -17.633 1.00 1.81 H new ATOM 0 HE1 HIS A 12 0.922 0.662 -15.686 1.00 1.94 H new ATOM 181 N THR A 13 -3.015 -2.092 -15.169 1.00 1.82 N ATOM 182 CA THR A 13 -2.267 -3.209 -14.524 1.00 1.56 C ATOM 183 C THR A 13 -1.297 -3.823 -15.539 1.00 1.39 C ATOM 184 O THR A 13 -1.465 -4.946 -15.968 1.00 1.58 O ATOM 185 CB THR A 13 -3.253 -4.276 -14.041 1.00 1.72 C ATOM 186 OG1 THR A 13 -2.702 -5.567 -14.261 1.00 1.59 O ATOM 187 CG2 THR A 13 -4.570 -4.143 -14.806 1.00 1.97 C ATOM 0 H THR A 13 -2.885 -2.010 -16.177 1.00 1.82 H new ATOM 0 HA THR A 13 -1.706 -2.828 -13.671 1.00 1.56 H new ATOM 0 HB THR A 13 -3.440 -4.139 -12.976 1.00 1.72 H new ATOM 0 HG1 THR A 13 -2.571 -5.707 -15.222 1.00 1.59 H new ATOM 0 HG21 THR A 13 -5.270 -4.904 -14.460 1.00 1.97 H new ATOM 0 HG22 THR A 13 -4.994 -3.154 -14.632 1.00 1.97 H new ATOM 0 HG23 THR A 13 -4.387 -4.276 -15.872 1.00 1.97 H new ATOM 195 N SER A 14 -0.285 -3.097 -15.930 1.00 1.20 N ATOM 196 CA SER A 14 0.683 -3.654 -16.919 1.00 1.07 C ATOM 197 C SER A 14 1.899 -2.732 -17.041 1.00 1.04 C ATOM 198 O SER A 14 1.946 -1.862 -17.888 1.00 1.10 O ATOM 199 CB SER A 14 0.001 -3.776 -18.282 1.00 1.14 C ATOM 200 OG SER A 14 -1.141 -4.614 -18.161 1.00 1.96 O ATOM 0 H SER A 14 -0.087 -2.149 -15.610 1.00 1.20 H new ATOM 0 HA SER A 14 1.013 -4.636 -16.581 1.00 1.07 H new ATOM 0 HB2 SER A 14 -0.293 -2.791 -18.644 1.00 1.14 H new ATOM 0 HB3 SER A 14 0.695 -4.190 -19.013 1.00 1.14 H new ATOM 0 HG SER A 14 -1.067 -5.152 -17.345 1.00 1.96 H new ATOM 206 N PHE A 15 2.889 -2.922 -16.212 1.00 1.01 N ATOM 207 CA PHE A 15 4.106 -2.064 -16.294 1.00 1.00 C ATOM 208 C PHE A 15 5.113 -2.715 -17.244 1.00 1.00 C ATOM 209 O PHE A 15 6.299 -2.745 -16.983 1.00 0.98 O ATOM 210 CB PHE A 15 4.736 -1.930 -14.906 1.00 0.98 C ATOM 211 CG PHE A 15 4.005 -0.877 -14.108 1.00 0.88 C ATOM 212 CD1 PHE A 15 2.623 -0.983 -13.910 1.00 1.74 C ATOM 213 CD2 PHE A 15 4.711 0.202 -13.563 1.00 1.11 C ATOM 214 CE1 PHE A 15 1.947 -0.008 -13.165 1.00 1.76 C ATOM 215 CE2 PHE A 15 4.034 1.176 -12.820 1.00 1.14 C ATOM 216 CZ PHE A 15 2.653 1.070 -12.620 1.00 0.95 C ATOM 0 H PHE A 15 2.908 -3.634 -15.482 1.00 1.01 H new ATOM 0 HA PHE A 15 3.831 -1.076 -16.663 1.00 1.00 H new ATOM 0 HB2 PHE A 15 4.695 -2.887 -14.385 1.00 0.98 H new ATOM 0 HB3 PHE A 15 5.788 -1.662 -14.999 1.00 0.98 H new ATOM 0 HD1 PHE A 15 2.079 -1.815 -14.331 1.00 1.74 H new ATOM 0 HD2 PHE A 15 5.777 0.283 -13.716 1.00 1.11 H new ATOM 0 HE1 PHE A 15 0.881 -0.088 -13.011 1.00 1.76 H new ATOM 0 HE2 PHE A 15 4.578 2.010 -12.401 1.00 1.14 H new ATOM 0 HZ PHE A 15 2.132 1.821 -12.045 1.00 0.95 H new ATOM 226 N ALA A 16 4.647 -3.245 -18.343 1.00 1.06 N ATOM 227 CA ALA A 16 5.572 -3.903 -19.308 1.00 1.09 C ATOM 228 C ALA A 16 6.721 -2.956 -19.659 1.00 1.10 C ATOM 229 O ALA A 16 7.748 -2.942 -19.011 1.00 1.18 O ATOM 230 CB ALA A 16 4.806 -4.267 -20.581 1.00 1.14 C ATOM 0 H ALA A 16 3.664 -3.250 -18.614 1.00 1.06 H new ATOM 0 HA ALA A 16 5.979 -4.806 -18.853 1.00 1.09 H new ATOM 0 HB1 ALA A 16 5.482 -4.748 -21.287 1.00 1.14 H new ATOM 0 HB2 ALA A 16 3.993 -4.950 -20.334 1.00 1.14 H new ATOM 0 HB3 ALA A 16 4.396 -3.362 -21.030 1.00 1.14 H new ATOM 236 N GLU A 17 6.560 -2.169 -20.688 1.00 1.15 N ATOM 237 CA GLU A 17 7.645 -1.231 -21.087 1.00 1.19 C ATOM 238 C GLU A 17 7.221 0.207 -20.783 1.00 1.29 C ATOM 239 O GLU A 17 7.482 1.116 -21.545 1.00 1.41 O ATOM 240 CB GLU A 17 7.907 -1.377 -22.586 1.00 1.32 C ATOM 241 CG GLU A 17 8.984 -2.440 -22.815 1.00 1.41 C ATOM 242 CD GLU A 17 9.160 -2.674 -24.317 1.00 1.67 C ATOM 243 OE1 GLU A 17 8.795 -1.795 -25.080 1.00 1.96 O ATOM 244 OE2 GLU A 17 9.655 -3.729 -24.678 1.00 2.13 O ATOM 0 H GLU A 17 5.723 -2.136 -21.269 1.00 1.15 H new ATOM 0 HA GLU A 17 8.552 -1.464 -20.529 1.00 1.19 H new ATOM 0 HB2 GLU A 17 6.988 -1.658 -23.101 1.00 1.32 H new ATOM 0 HB3 GLU A 17 8.228 -0.423 -23.004 1.00 1.32 H new ATOM 0 HG2 GLU A 17 9.927 -2.118 -22.373 1.00 1.41 H new ATOM 0 HG3 GLU A 17 8.702 -3.370 -22.322 1.00 1.41 H new ATOM 251 N SER A 18 6.569 0.420 -19.674 1.00 1.41 N ATOM 252 CA SER A 18 6.133 1.800 -19.322 1.00 1.64 C ATOM 253 C SER A 18 5.412 1.780 -17.974 1.00 1.51 C ATOM 254 O SER A 18 4.775 0.810 -17.613 1.00 1.30 O ATOM 255 CB SER A 18 5.182 2.323 -20.399 1.00 2.02 C ATOM 256 OG SER A 18 5.916 3.101 -21.336 1.00 2.26 O ATOM 0 H SER A 18 6.319 -0.301 -18.997 1.00 1.41 H new ATOM 0 HA SER A 18 7.005 2.451 -19.258 1.00 1.64 H new ATOM 0 HB2 SER A 18 4.693 1.490 -20.904 1.00 2.02 H new ATOM 0 HB3 SER A 18 4.396 2.926 -19.945 1.00 2.02 H new ATOM 0 HG SER A 18 6.791 2.687 -21.491 1.00 2.26 H new ATOM 262 N LEU A 19 5.507 2.844 -17.226 1.00 1.67 N ATOM 263 CA LEU A 19 4.826 2.886 -15.901 1.00 1.59 C ATOM 264 C LEU A 19 3.321 3.057 -16.108 1.00 1.72 C ATOM 265 O LEU A 19 2.539 2.925 -15.188 1.00 2.45 O ATOM 266 CB LEU A 19 5.366 4.064 -15.087 1.00 1.61 C ATOM 267 CG LEU A 19 4.740 5.365 -15.595 1.00 1.71 C ATOM 268 CD1 LEU A 19 3.585 5.769 -14.678 1.00 2.60 C ATOM 269 CD2 LEU A 19 5.798 6.471 -15.597 1.00 1.37 C ATOM 0 H LEU A 19 6.026 3.686 -17.474 1.00 1.67 H new ATOM 0 HA LEU A 19 5.016 1.956 -15.365 1.00 1.59 H new ATOM 0 HB2 LEU A 19 5.136 3.926 -14.031 1.00 1.61 H new ATOM 0 HB3 LEU A 19 6.452 4.112 -15.173 1.00 1.61 H new ATOM 0 HG LEU A 19 4.365 5.216 -16.607 1.00 1.71 H new ATOM 0 HD11 LEU A 19 3.140 6.696 -15.040 1.00 2.60 H new ATOM 0 HD12 LEU A 19 2.831 4.982 -14.674 1.00 2.60 H new ATOM 0 HD13 LEU A 19 3.960 5.918 -13.665 1.00 2.60 H new ATOM 0 HD21 LEU A 19 5.354 7.399 -15.959 1.00 1.37 H new ATOM 0 HD22 LEU A 19 6.172 6.619 -14.584 1.00 1.37 H new ATOM 0 HD23 LEU A 19 6.622 6.185 -16.250 1.00 1.37 H new ATOM 281 N GLY A 20 2.908 3.352 -17.311 1.00 1.44 N ATOM 282 CA GLY A 20 1.452 3.534 -17.574 1.00 1.58 C ATOM 283 C GLY A 20 1.000 4.883 -17.012 1.00 1.59 C ATOM 284 O GLY A 20 1.748 5.841 -17.002 1.00 1.62 O ATOM 0 H GLY A 20 3.515 3.475 -18.122 1.00 1.44 H new ATOM 0 HA2 GLY A 20 1.256 3.490 -18.645 1.00 1.58 H new ATOM 0 HA3 GLY A 20 0.884 2.726 -17.112 1.00 1.58 H new ATOM 288 N PRO A 21 -0.216 4.957 -16.544 1.00 1.60 N ATOM 289 CA PRO A 21 -0.785 6.204 -15.968 1.00 1.60 C ATOM 290 C PRO A 21 -0.359 6.412 -14.512 1.00 1.43 C ATOM 291 O PRO A 21 -0.354 7.518 -14.010 1.00 1.67 O ATOM 292 CB PRO A 21 -2.293 5.981 -16.062 1.00 1.68 C ATOM 293 CG PRO A 21 -2.483 4.500 -16.004 1.00 1.70 C ATOM 294 CD PRO A 21 -1.190 3.854 -16.513 1.00 1.63 C ATOM 0 HA PRO A 21 -0.442 7.095 -16.495 1.00 1.60 H new ATOM 0 HB2 PRO A 21 -2.814 6.476 -15.243 1.00 1.68 H new ATOM 0 HB3 PRO A 21 -2.693 6.392 -16.989 1.00 1.68 H new ATOM 0 HG2 PRO A 21 -2.697 4.180 -14.984 1.00 1.70 H new ATOM 0 HG3 PRO A 21 -3.331 4.197 -16.618 1.00 1.70 H new ATOM 0 HD2 PRO A 21 -0.860 3.052 -15.853 1.00 1.63 H new ATOM 0 HD3 PRO A 21 -1.327 3.417 -17.502 1.00 1.63 H new ATOM 302 N TRP A 22 0.004 5.358 -13.832 1.00 1.30 N ATOM 303 CA TRP A 22 0.434 5.503 -12.413 1.00 1.15 C ATOM 304 C TRP A 22 1.405 6.683 -12.307 1.00 1.24 C ATOM 305 O TRP A 22 1.737 7.311 -13.293 1.00 1.48 O ATOM 306 CB TRP A 22 1.132 4.219 -11.953 1.00 1.19 C ATOM 307 CG TRP A 22 0.110 3.151 -11.716 1.00 1.24 C ATOM 308 CD1 TRP A 22 -0.968 2.923 -12.500 1.00 1.40 C ATOM 309 CD2 TRP A 22 0.052 2.164 -10.642 1.00 1.50 C ATOM 310 NE1 TRP A 22 -1.687 1.864 -11.976 1.00 1.52 N ATOM 311 CE2 TRP A 22 -1.101 1.361 -10.832 1.00 1.59 C ATOM 312 CE3 TRP A 22 0.872 1.889 -9.533 1.00 1.94 C ATOM 313 CZ2 TRP A 22 -1.424 0.325 -9.953 1.00 1.97 C ATOM 314 CZ3 TRP A 22 0.549 0.847 -8.648 1.00 2.42 C ATOM 315 CH2 TRP A 22 -0.598 0.066 -8.856 1.00 2.39 C ATOM 0 H TRP A 22 0.021 4.406 -14.197 1.00 1.30 H new ATOM 0 HA TRP A 22 -0.435 5.682 -11.780 1.00 1.15 H new ATOM 0 HB2 TRP A 22 1.847 3.891 -12.707 1.00 1.19 H new ATOM 0 HB3 TRP A 22 1.696 4.407 -11.039 1.00 1.19 H new ATOM 0 HD1 TRP A 22 -1.226 3.478 -13.390 1.00 1.40 H new ATOM 0 HE1 TRP A 22 -2.547 1.499 -12.386 1.00 1.52 H new ATOM 0 HE3 TRP A 22 1.757 2.484 -9.360 1.00 1.94 H new ATOM 0 HZ2 TRP A 22 -2.308 -0.273 -10.120 1.00 1.97 H new ATOM 0 HZ3 TRP A 22 1.188 0.646 -7.801 1.00 2.42 H new ATOM 0 HH2 TRP A 22 -0.842 -0.732 -8.171 1.00 2.39 H new ATOM 326 N SER A 23 1.865 6.990 -11.127 1.00 1.20 N ATOM 327 CA SER A 23 2.814 8.130 -10.976 1.00 1.36 C ATOM 328 C SER A 23 4.176 7.589 -10.540 1.00 1.28 C ATOM 329 O SER A 23 4.291 6.460 -10.112 1.00 1.33 O ATOM 330 CB SER A 23 2.289 9.099 -9.916 1.00 1.45 C ATOM 331 OG SER A 23 0.869 9.052 -9.901 1.00 1.64 O ATOM 0 H SER A 23 1.627 6.504 -10.263 1.00 1.20 H new ATOM 0 HA SER A 23 2.910 8.655 -11.926 1.00 1.36 H new ATOM 0 HB2 SER A 23 2.684 8.833 -8.936 1.00 1.45 H new ATOM 0 HB3 SER A 23 2.629 10.112 -10.132 1.00 1.45 H new ATOM 0 HG SER A 23 0.528 9.671 -9.221 1.00 1.64 H new ATOM 337 N LEU A 24 5.209 8.378 -10.645 1.00 1.31 N ATOM 338 CA LEU A 24 6.553 7.888 -10.232 1.00 1.25 C ATOM 339 C LEU A 24 7.453 9.075 -9.887 1.00 1.30 C ATOM 340 O LEU A 24 7.534 10.042 -10.619 1.00 1.47 O ATOM 341 CB LEU A 24 7.178 7.087 -11.377 1.00 1.40 C ATOM 342 CG LEU A 24 7.101 5.593 -11.053 1.00 1.44 C ATOM 343 CD1 LEU A 24 7.414 4.778 -12.309 1.00 2.02 C ATOM 344 CD2 LEU A 24 8.118 5.254 -9.959 1.00 2.05 C ATOM 0 H LEU A 24 5.181 9.335 -10.997 1.00 1.31 H new ATOM 0 HA LEU A 24 6.450 7.249 -9.355 1.00 1.25 H new ATOM 0 HB2 LEU A 24 6.654 7.296 -12.310 1.00 1.40 H new ATOM 0 HB3 LEU A 24 8.216 7.386 -11.521 1.00 1.40 H new ATOM 0 HG LEU A 24 6.097 5.351 -10.705 1.00 1.44 H new ATOM 0 HD11 LEU A 24 7.359 3.715 -12.076 1.00 2.02 H new ATOM 0 HD12 LEU A 24 6.690 5.017 -13.088 1.00 2.02 H new ATOM 0 HD13 LEU A 24 8.417 5.021 -12.660 1.00 2.02 H new ATOM 0 HD21 LEU A 24 8.063 4.190 -9.728 1.00 2.05 H new ATOM 0 HD22 LEU A 24 9.122 5.499 -10.307 1.00 2.05 H new ATOM 0 HD23 LEU A 24 7.894 5.832 -9.062 1.00 2.05 H new ATOM 356 N TYR A 25 8.130 9.009 -8.773 1.00 1.23 N ATOM 357 CA TYR A 25 9.026 10.129 -8.374 1.00 1.38 C ATOM 358 C TYR A 25 9.529 9.894 -6.949 1.00 1.34 C ATOM 359 O TYR A 25 9.377 8.822 -6.396 1.00 1.42 O ATOM 360 CB TYR A 25 8.254 11.448 -8.430 1.00 1.72 C ATOM 361 CG TYR A 25 6.784 11.191 -8.188 1.00 1.09 C ATOM 362 CD1 TYR A 25 6.383 10.166 -7.321 1.00 1.62 C ATOM 363 CD2 TYR A 25 5.823 11.982 -8.827 1.00 1.22 C ATOM 364 CE1 TYR A 25 5.021 9.933 -7.096 1.00 1.57 C ATOM 365 CE2 TYR A 25 4.461 11.748 -8.603 1.00 1.27 C ATOM 366 CZ TYR A 25 4.059 10.724 -7.738 1.00 1.08 C ATOM 367 OH TYR A 25 2.718 10.494 -7.515 1.00 1.63 O ATOM 0 H TYR A 25 8.100 8.225 -8.121 1.00 1.23 H new ATOM 0 HA TYR A 25 9.874 10.176 -9.058 1.00 1.38 H new ATOM 0 HB2 TYR A 25 8.640 12.138 -7.680 1.00 1.72 H new ATOM 0 HB3 TYR A 25 8.395 11.922 -9.402 1.00 1.72 H new ATOM 0 HD1 TYR A 25 7.124 9.556 -6.826 1.00 1.62 H new ATOM 0 HD2 TYR A 25 6.132 12.774 -9.493 1.00 1.22 H new ATOM 0 HE1 TYR A 25 4.712 9.143 -6.427 1.00 1.57 H new ATOM 0 HE2 TYR A 25 3.720 12.358 -9.098 1.00 1.27 H new ATOM 0 HH TYR A 25 2.186 11.131 -8.036 1.00 1.63 H new ATOM 377 N GLY A 26 10.124 10.887 -6.346 1.00 1.33 N ATOM 378 CA GLY A 26 10.631 10.717 -4.955 1.00 1.32 C ATOM 379 C GLY A 26 11.894 9.855 -4.967 1.00 1.25 C ATOM 380 O GLY A 26 12.765 10.005 -4.135 1.00 1.70 O ATOM 0 H GLY A 26 10.281 11.808 -6.756 1.00 1.33 H new ATOM 0 HA2 GLY A 26 10.848 11.691 -4.516 1.00 1.32 H new ATOM 0 HA3 GLY A 26 9.867 10.250 -4.334 1.00 1.32 H new ATOM 384 N THR A 27 12.002 8.951 -5.904 1.00 0.93 N ATOM 385 CA THR A 27 13.213 8.086 -5.960 1.00 0.90 C ATOM 386 C THR A 27 14.055 8.468 -7.176 1.00 0.92 C ATOM 387 O THR A 27 14.187 9.626 -7.520 1.00 0.97 O ATOM 388 CB THR A 27 12.787 6.616 -6.079 1.00 0.88 C ATOM 389 OG1 THR A 27 13.827 5.849 -6.666 1.00 0.73 O ATOM 390 CG2 THR A 27 11.524 6.512 -6.937 1.00 0.95 C ATOM 0 H THR A 27 11.307 8.776 -6.629 1.00 0.93 H new ATOM 0 HA THR A 27 13.799 8.224 -5.051 1.00 0.90 H new ATOM 0 HB THR A 27 12.581 6.228 -5.082 1.00 0.88 H new ATOM 0 HG1 THR A 27 14.605 5.844 -6.071 1.00 0.73 H new ATOM 0 HG21 THR A 27 11.225 5.467 -7.019 1.00 0.95 H new ATOM 0 HG22 THR A 27 10.721 7.084 -6.473 1.00 0.95 H new ATOM 0 HG23 THR A 27 11.726 6.911 -7.931 1.00 0.95 H new ATOM 398 N SER A 28 14.616 7.494 -7.828 1.00 1.12 N ATOM 399 CA SER A 28 15.447 7.775 -9.032 1.00 1.40 C ATOM 400 C SER A 28 14.558 7.731 -10.274 1.00 1.29 C ATOM 401 O SER A 28 13.349 7.801 -10.182 1.00 0.98 O ATOM 402 CB SER A 28 16.546 6.718 -9.152 1.00 1.80 C ATOM 403 OG SER A 28 15.978 5.429 -8.970 1.00 1.73 O ATOM 0 H SER A 28 14.536 6.508 -7.579 1.00 1.12 H new ATOM 0 HA SER A 28 15.904 8.761 -8.942 1.00 1.40 H new ATOM 0 HB2 SER A 28 17.024 6.783 -10.129 1.00 1.80 H new ATOM 0 HB3 SER A 28 17.321 6.896 -8.406 1.00 1.80 H new ATOM 0 HG SER A 28 15.836 5.008 -9.843 1.00 1.73 H new ATOM 409 N GLU A 29 15.142 7.610 -11.434 1.00 1.62 N ATOM 410 CA GLU A 29 14.325 7.552 -12.678 1.00 1.60 C ATOM 411 C GLU A 29 13.986 6.089 -12.989 1.00 1.23 C ATOM 412 O GLU A 29 14.855 5.312 -13.330 1.00 1.37 O ATOM 413 CB GLU A 29 15.128 8.144 -13.839 1.00 2.07 C ATOM 414 CG GLU A 29 15.511 9.589 -13.511 1.00 1.86 C ATOM 415 CD GLU A 29 15.873 10.326 -14.801 1.00 1.99 C ATOM 416 OE1 GLU A 29 16.379 9.684 -15.706 1.00 2.35 O ATOM 417 OE2 GLU A 29 15.638 11.523 -14.862 1.00 2.40 O ATOM 0 H GLU A 29 16.150 7.549 -11.574 1.00 1.62 H new ATOM 0 HA GLU A 29 13.406 8.122 -12.542 1.00 1.60 H new ATOM 0 HB2 GLU A 29 16.025 7.550 -14.015 1.00 2.07 H new ATOM 0 HB3 GLU A 29 14.539 8.112 -14.756 1.00 2.07 H new ATOM 0 HG2 GLU A 29 14.682 10.092 -13.013 1.00 1.86 H new ATOM 0 HG3 GLU A 29 16.355 9.605 -12.821 1.00 1.86 H new ATOM 424 N PRO A 30 12.738 5.709 -12.875 1.00 0.95 N ATOM 425 CA PRO A 30 12.306 4.309 -13.152 1.00 0.81 C ATOM 426 C PRO A 30 12.828 3.810 -14.501 1.00 0.80 C ATOM 427 O PRO A 30 12.864 4.542 -15.471 1.00 0.86 O ATOM 428 CB PRO A 30 10.778 4.388 -13.169 1.00 0.94 C ATOM 429 CG PRO A 30 10.429 5.593 -12.360 1.00 1.13 C ATOM 430 CD PRO A 30 11.606 6.561 -12.475 1.00 1.10 C ATOM 0 HA PRO A 30 12.692 3.611 -12.409 1.00 0.81 H new ATOM 0 HB2 PRO A 30 10.402 4.478 -14.188 1.00 0.94 H new ATOM 0 HB3 PRO A 30 10.334 3.488 -12.743 1.00 0.94 H new ATOM 0 HG2 PRO A 30 9.513 6.054 -12.729 1.00 1.13 H new ATOM 0 HG3 PRO A 30 10.253 5.322 -11.319 1.00 1.13 H new ATOM 0 HD2 PRO A 30 11.412 7.338 -13.215 1.00 1.10 H new ATOM 0 HD3 PRO A 30 11.802 7.064 -11.528 1.00 1.10 H new ATOM 438 N VAL A 31 13.236 2.573 -14.576 1.00 0.80 N ATOM 439 CA VAL A 31 13.757 2.045 -15.868 1.00 0.82 C ATOM 440 C VAL A 31 13.092 0.705 -16.189 1.00 0.78 C ATOM 441 O VAL A 31 13.320 -0.285 -15.524 1.00 0.84 O ATOM 442 CB VAL A 31 15.270 1.848 -15.764 1.00 0.92 C ATOM 443 CG1 VAL A 31 15.908 2.047 -17.141 1.00 0.99 C ATOM 444 CG2 VAL A 31 15.851 2.869 -14.783 1.00 1.05 C ATOM 0 H VAL A 31 13.231 1.908 -13.803 1.00 0.80 H new ATOM 0 HA VAL A 31 13.533 2.757 -16.662 1.00 0.82 H new ATOM 0 HB VAL A 31 15.480 0.839 -15.408 1.00 0.92 H new ATOM 0 HG11 VAL A 31 16.986 1.906 -17.066 1.00 0.99 H new ATOM 0 HG12 VAL A 31 15.495 1.321 -17.842 1.00 0.99 H new ATOM 0 HG13 VAL A 31 15.697 3.055 -17.497 1.00 0.99 H new ATOM 0 HG21 VAL A 31 16.929 2.729 -14.708 1.00 1.05 H new ATOM 0 HG22 VAL A 31 15.640 3.877 -15.139 1.00 1.05 H new ATOM 0 HG23 VAL A 31 15.398 2.729 -13.801 1.00 1.05 H new ATOM 454 N PHE A 32 12.277 0.666 -17.210 1.00 0.74 N ATOM 455 CA PHE A 32 11.603 -0.611 -17.585 1.00 0.77 C ATOM 456 C PHE A 32 12.478 -1.372 -18.582 1.00 0.87 C ATOM 457 O PHE A 32 12.889 -0.841 -19.594 1.00 1.19 O ATOM 458 CB PHE A 32 10.244 -0.308 -18.220 1.00 0.78 C ATOM 459 CG PHE A 32 10.294 1.033 -18.916 1.00 0.93 C ATOM 460 CD1 PHE A 32 10.888 1.146 -20.179 1.00 1.50 C ATOM 461 CD2 PHE A 32 9.742 2.161 -18.298 1.00 1.63 C ATOM 462 CE1 PHE A 32 10.931 2.389 -20.823 1.00 1.78 C ATOM 463 CE2 PHE A 32 9.785 3.403 -18.941 1.00 1.82 C ATOM 464 CZ PHE A 32 10.379 3.518 -20.204 1.00 1.56 C ATOM 0 H PHE A 32 12.049 1.465 -17.801 1.00 0.74 H new ATOM 0 HA PHE A 32 11.454 -1.220 -16.693 1.00 0.77 H new ATOM 0 HB2 PHE A 32 9.983 -1.089 -18.934 1.00 0.78 H new ATOM 0 HB3 PHE A 32 9.467 -0.303 -17.455 1.00 0.78 H new ATOM 0 HD1 PHE A 32 11.313 0.275 -20.656 1.00 1.50 H new ATOM 0 HD2 PHE A 32 9.283 2.073 -17.325 1.00 1.63 H new ATOM 0 HE1 PHE A 32 11.390 2.477 -21.797 1.00 1.78 H new ATOM 0 HE2 PHE A 32 9.360 4.273 -18.463 1.00 1.82 H new ATOM 0 HZ PHE A 32 10.412 4.477 -20.701 1.00 1.56 H new ATOM 474 N ALA A 33 12.770 -2.613 -18.304 1.00 0.77 N ATOM 475 CA ALA A 33 13.620 -3.405 -19.236 1.00 0.84 C ATOM 476 C ALA A 33 12.848 -4.636 -19.715 1.00 0.67 C ATOM 477 O ALA A 33 11.902 -4.531 -20.471 1.00 0.92 O ATOM 478 CB ALA A 33 14.894 -3.847 -18.513 1.00 1.17 C ATOM 0 H ALA A 33 12.457 -3.112 -17.472 1.00 0.77 H new ATOM 0 HA ALA A 33 13.886 -2.790 -20.096 1.00 0.84 H new ATOM 0 HB1 ALA A 33 15.517 -4.427 -19.194 1.00 1.17 H new ATOM 0 HB2 ALA A 33 15.445 -2.969 -18.177 1.00 1.17 H new ATOM 0 HB3 ALA A 33 14.629 -4.461 -17.652 1.00 1.17 H new ATOM 484 N ASP A 34 13.243 -5.804 -19.285 1.00 0.77 N ATOM 485 CA ASP A 34 12.531 -7.038 -19.719 1.00 0.85 C ATOM 486 C ASP A 34 11.067 -6.967 -19.280 1.00 0.84 C ATOM 487 O ASP A 34 10.608 -7.764 -18.486 1.00 0.99 O ATOM 488 CB ASP A 34 13.195 -8.261 -19.084 1.00 1.13 C ATOM 489 CG ASP A 34 13.544 -7.954 -17.626 1.00 1.54 C ATOM 490 OD1 ASP A 34 13.861 -6.811 -17.341 1.00 1.78 O ATOM 491 OD2 ASP A 34 13.488 -8.868 -16.820 1.00 2.21 O ATOM 0 H ASP A 34 14.028 -5.956 -18.652 1.00 0.77 H new ATOM 0 HA ASP A 34 12.580 -7.120 -20.805 1.00 0.85 H new ATOM 0 HB2 ASP A 34 12.525 -9.119 -19.136 1.00 1.13 H new ATOM 0 HB3 ASP A 34 14.096 -8.526 -19.637 1.00 1.13 H new ATOM 496 N GLY A 35 10.329 -6.021 -19.793 1.00 0.84 N ATOM 497 CA GLY A 35 8.895 -5.901 -19.406 1.00 1.02 C ATOM 498 C GLY A 35 8.791 -5.444 -17.950 1.00 0.90 C ATOM 499 O GLY A 35 7.760 -4.979 -17.508 1.00 1.19 O ATOM 0 H GLY A 35 10.657 -5.326 -20.463 1.00 0.84 H new ATOM 0 HA2 GLY A 35 8.391 -5.188 -20.058 1.00 1.02 H new ATOM 0 HA3 GLY A 35 8.392 -6.860 -19.533 1.00 1.02 H new ATOM 503 N ARG A 36 9.851 -5.572 -17.199 1.00 0.66 N ATOM 504 CA ARG A 36 9.806 -5.144 -15.772 1.00 0.63 C ATOM 505 C ARG A 36 10.582 -3.840 -15.600 1.00 0.62 C ATOM 506 O ARG A 36 11.271 -3.390 -16.493 1.00 0.68 O ATOM 507 CB ARG A 36 10.447 -6.215 -14.888 1.00 0.70 C ATOM 508 CG ARG A 36 11.684 -6.786 -15.585 1.00 1.16 C ATOM 509 CD ARG A 36 12.790 -7.016 -14.554 1.00 1.40 C ATOM 510 NE ARG A 36 13.646 -5.799 -14.466 1.00 2.02 N ATOM 511 CZ ARG A 36 14.461 -5.646 -13.458 1.00 2.19 C ATOM 512 NH1 ARG A 36 14.528 -6.559 -12.529 1.00 2.28 N ATOM 513 NH2 ARG A 36 15.211 -4.581 -13.381 1.00 2.91 N ATOM 0 H ARG A 36 10.744 -5.953 -17.511 1.00 0.66 H new ATOM 0 HA ARG A 36 8.765 -4.999 -15.482 1.00 0.63 H new ATOM 0 HB2 ARG A 36 10.725 -5.787 -13.925 1.00 0.70 H new ATOM 0 HB3 ARG A 36 9.730 -7.012 -14.687 1.00 0.70 H new ATOM 0 HG2 ARG A 36 11.434 -7.724 -16.082 1.00 1.16 H new ATOM 0 HG3 ARG A 36 12.029 -6.099 -16.357 1.00 1.16 H new ATOM 0 HD2 ARG A 36 12.354 -7.238 -13.580 1.00 1.40 H new ATOM 0 HD3 ARG A 36 13.393 -7.878 -14.838 1.00 1.40 H new ATOM 0 HE ARG A 36 13.595 -5.086 -15.193 1.00 2.02 H new ATOM 0 HH11 ARG A 36 13.943 -7.393 -12.590 1.00 2.28 H new ATOM 0 HH12 ARG A 36 15.165 -6.439 -11.741 1.00 2.28 H new ATOM 0 HH21 ARG A 36 15.160 -3.868 -14.109 1.00 2.91 H new ATOM 0 HH22 ARG A 36 15.848 -4.462 -12.593 1.00 2.91 H new ATOM 527 N MET A 37 10.482 -3.237 -14.447 1.00 0.63 N ATOM 528 CA MET A 37 11.219 -1.968 -14.200 1.00 0.67 C ATOM 529 C MET A 37 11.598 -1.890 -12.723 1.00 0.68 C ATOM 530 O MET A 37 11.104 -2.644 -11.908 1.00 0.67 O ATOM 531 CB MET A 37 10.334 -0.776 -14.573 1.00 0.71 C ATOM 532 CG MET A 37 9.467 -0.383 -13.375 1.00 0.75 C ATOM 533 SD MET A 37 8.236 0.838 -13.894 1.00 0.88 S ATOM 534 CE MET A 37 7.750 1.389 -12.240 1.00 0.93 C ATOM 0 H MET A 37 9.920 -3.570 -13.664 1.00 0.63 H new ATOM 0 HA MET A 37 12.122 -1.943 -14.810 1.00 0.67 H new ATOM 0 HB2 MET A 37 10.953 0.067 -14.878 1.00 0.71 H new ATOM 0 HB3 MET A 37 9.702 -1.032 -15.423 1.00 0.71 H new ATOM 0 HG2 MET A 37 8.971 -1.264 -12.967 1.00 0.75 H new ATOM 0 HG3 MET A 37 10.090 0.028 -12.581 1.00 0.75 H new ATOM 0 HE1 MET A 37 6.751 1.824 -12.280 1.00 0.93 H new ATOM 0 HE2 MET A 37 7.748 0.538 -11.559 1.00 0.93 H new ATOM 0 HE3 MET A 37 8.457 2.138 -11.883 1.00 0.93 H new ATOM 544 N CYS A 38 12.477 -0.995 -12.367 1.00 0.73 N ATOM 545 CA CYS A 38 12.879 -0.898 -10.937 1.00 0.78 C ATOM 546 C CYS A 38 13.188 0.552 -10.564 1.00 0.89 C ATOM 547 O CYS A 38 13.626 1.341 -11.380 1.00 0.88 O ATOM 548 CB CYS A 38 14.124 -1.757 -10.704 1.00 0.79 C ATOM 549 SG CYS A 38 13.823 -2.894 -9.328 1.00 1.06 S ATOM 0 H CYS A 38 12.930 -0.333 -12.997 1.00 0.73 H new ATOM 0 HA CYS A 38 12.057 -1.253 -10.315 1.00 0.78 H new ATOM 0 HB2 CYS A 38 14.366 -2.318 -11.607 1.00 0.79 H new ATOM 0 HB3 CYS A 38 14.982 -1.121 -10.484 1.00 0.79 H new ATOM 554 N VAL A 39 12.979 0.895 -9.323 1.00 1.04 N ATOM 555 CA VAL A 39 13.274 2.280 -8.862 1.00 1.18 C ATOM 556 C VAL A 39 14.377 2.208 -7.804 1.00 1.37 C ATOM 557 O VAL A 39 14.482 1.241 -7.073 1.00 1.26 O ATOM 558 CB VAL A 39 12.018 2.904 -8.248 1.00 1.18 C ATOM 559 CG1 VAL A 39 11.226 3.630 -9.337 1.00 1.26 C ATOM 560 CG2 VAL A 39 11.149 1.804 -7.635 1.00 1.26 C ATOM 0 H VAL A 39 12.614 0.270 -8.604 1.00 1.04 H new ATOM 0 HA VAL A 39 13.594 2.893 -9.705 1.00 1.18 H new ATOM 0 HB VAL A 39 12.307 3.614 -7.473 1.00 1.18 H new ATOM 0 HG11 VAL A 39 10.331 4.075 -8.901 1.00 1.26 H new ATOM 0 HG12 VAL A 39 11.844 4.414 -9.775 1.00 1.26 H new ATOM 0 HG13 VAL A 39 10.937 2.920 -10.112 1.00 1.26 H new ATOM 0 HG21 VAL A 39 10.255 2.248 -7.198 1.00 1.26 H new ATOM 0 HG22 VAL A 39 10.860 1.094 -8.410 1.00 1.26 H new ATOM 0 HG23 VAL A 39 11.712 1.285 -6.860 1.00 1.26 H new ATOM 570 N ASP A 40 15.202 3.215 -7.719 1.00 1.71 N ATOM 571 CA ASP A 40 16.299 3.191 -6.712 1.00 1.97 C ATOM 572 C ASP A 40 15.773 3.670 -5.357 1.00 1.61 C ATOM 573 O ASP A 40 15.552 4.845 -5.146 1.00 2.31 O ATOM 574 CB ASP A 40 17.431 4.112 -7.172 1.00 3.21 C ATOM 575 CG ASP A 40 17.787 3.797 -8.626 1.00 4.09 C ATOM 576 OD1 ASP A 40 17.008 3.115 -9.272 1.00 4.79 O ATOM 577 OD2 ASP A 40 18.832 4.242 -9.068 1.00 4.39 O ATOM 0 H ASP A 40 15.164 4.051 -8.302 1.00 1.71 H new ATOM 0 HA ASP A 40 16.672 2.172 -6.612 1.00 1.97 H new ATOM 0 HB2 ASP A 40 17.126 5.154 -7.079 1.00 3.21 H new ATOM 0 HB3 ASP A 40 18.305 3.977 -6.535 1.00 3.21 H new ATOM 582 N LEU A 41 15.586 2.768 -4.432 1.00 1.25 N ATOM 583 CA LEU A 41 15.089 3.169 -3.085 1.00 1.86 C ATOM 584 C LEU A 41 16.197 2.927 -2.055 1.00 1.67 C ATOM 585 O LEU A 41 16.177 1.952 -1.330 1.00 1.20 O ATOM 586 CB LEU A 41 13.863 2.330 -2.704 1.00 2.45 C ATOM 587 CG LEU A 41 12.736 2.521 -3.725 1.00 2.88 C ATOM 588 CD1 LEU A 41 12.641 3.991 -4.135 1.00 2.65 C ATOM 589 CD2 LEU A 41 13.009 1.661 -4.961 1.00 3.54 C ATOM 0 H LEU A 41 15.756 1.769 -4.551 1.00 1.25 H new ATOM 0 HA LEU A 41 14.811 4.223 -3.104 1.00 1.86 H new ATOM 0 HB2 LEU A 41 14.139 1.277 -2.653 1.00 2.45 H new ATOM 0 HB3 LEU A 41 13.514 2.617 -1.712 1.00 2.45 H new ATOM 0 HG LEU A 41 11.793 2.217 -3.271 1.00 2.88 H new ATOM 0 HD11 LEU A 41 11.837 4.115 -4.861 1.00 2.65 H new ATOM 0 HD12 LEU A 41 12.434 4.601 -3.256 1.00 2.65 H new ATOM 0 HD13 LEU A 41 13.584 4.306 -4.581 1.00 2.65 H new ATOM 0 HD21 LEU A 41 12.206 1.799 -5.685 1.00 3.54 H new ATOM 0 HD22 LEU A 41 13.957 1.959 -5.409 1.00 3.54 H new ATOM 0 HD23 LEU A 41 13.059 0.612 -4.670 1.00 3.54 H new ATOM 601 N PRO A 42 17.161 3.808 -1.995 1.00 2.30 N ATOM 602 CA PRO A 42 18.303 3.691 -1.044 1.00 2.32 C ATOM 603 C PRO A 42 17.918 4.094 0.382 1.00 1.85 C ATOM 604 O PRO A 42 16.760 4.103 0.745 1.00 2.18 O ATOM 605 CB PRO A 42 19.339 4.662 -1.610 1.00 3.11 C ATOM 606 CG PRO A 42 18.549 5.699 -2.337 1.00 3.74 C ATOM 607 CD PRO A 42 17.270 5.017 -2.829 1.00 3.24 C ATOM 0 HA PRO A 42 18.660 2.664 -0.963 1.00 2.32 H new ATOM 0 HB2 PRO A 42 19.936 5.108 -0.815 1.00 3.11 H new ATOM 0 HB3 PRO A 42 20.031 4.152 -2.281 1.00 3.11 H new ATOM 0 HG2 PRO A 42 18.313 6.536 -1.680 1.00 3.74 H new ATOM 0 HG3 PRO A 42 19.119 6.102 -3.174 1.00 3.74 H new ATOM 0 HD2 PRO A 42 16.401 5.664 -2.707 1.00 3.24 H new ATOM 0 HD3 PRO A 42 17.335 4.766 -3.888 1.00 3.24 H new ATOM 615 N GLY A 43 18.886 4.426 1.193 1.00 1.69 N ATOM 616 CA GLY A 43 18.579 4.827 2.595 1.00 1.65 C ATOM 617 C GLY A 43 18.886 6.314 2.780 1.00 1.62 C ATOM 618 O GLY A 43 19.741 6.690 3.557 1.00 2.03 O ATOM 0 H GLY A 43 19.875 4.437 0.945 1.00 1.69 H new ATOM 0 HA2 GLY A 43 17.531 4.631 2.819 1.00 1.65 H new ATOM 0 HA3 GLY A 43 19.171 4.233 3.292 1.00 1.65 H new ATOM 622 N GLY A 44 18.193 7.164 2.072 1.00 1.61 N ATOM 623 CA GLY A 44 18.446 8.627 2.209 1.00 2.13 C ATOM 624 C GLY A 44 17.154 9.396 1.927 1.00 2.06 C ATOM 625 O GLY A 44 17.170 10.469 1.357 1.00 2.41 O ATOM 0 H GLY A 44 17.464 6.909 1.406 1.00 1.61 H new ATOM 0 HA2 GLY A 44 18.804 8.853 3.213 1.00 2.13 H new ATOM 0 HA3 GLY A 44 19.226 8.939 1.515 1.00 2.13 H new ATOM 629 N GLN A 45 16.034 8.856 2.324 1.00 1.86 N ATOM 630 CA GLN A 45 14.742 9.555 2.079 1.00 1.96 C ATOM 631 C GLN A 45 14.298 10.273 3.356 1.00 1.90 C ATOM 632 O GLN A 45 13.968 9.651 4.345 1.00 1.92 O ATOM 633 CB GLN A 45 13.681 8.530 1.675 1.00 2.10 C ATOM 634 CG GLN A 45 13.680 8.366 0.154 1.00 2.29 C ATOM 635 CD GLN A 45 12.626 9.291 -0.459 1.00 2.34 C ATOM 636 OE1 GLN A 45 11.460 9.205 -0.129 1.00 2.96 O ATOM 637 NE2 GLN A 45 12.990 10.179 -1.343 1.00 2.07 N ATOM 0 H GLN A 45 15.959 7.961 2.807 1.00 1.86 H new ATOM 0 HA GLN A 45 14.868 10.285 1.279 1.00 1.96 H new ATOM 0 HB2 GLN A 45 13.885 7.572 2.154 1.00 2.10 H new ATOM 0 HB3 GLN A 45 12.698 8.855 2.017 1.00 2.10 H new ATOM 0 HG2 GLN A 45 14.665 8.603 -0.248 1.00 2.29 H new ATOM 0 HG3 GLN A 45 13.468 7.330 -0.110 1.00 2.29 H new ATOM 0 HE21 GLN A 45 13.969 10.251 -1.620 1.00 2.07 H new ATOM 0 HE22 GLN A 45 12.296 10.801 -1.757 1.00 2.07 H new ATOM 646 N GLY A 46 14.289 11.577 3.342 1.00 2.04 N ATOM 647 CA GLY A 46 13.866 12.332 4.555 1.00 2.08 C ATOM 648 C GLY A 46 12.478 11.863 4.992 1.00 2.01 C ATOM 649 O GLY A 46 12.010 12.190 6.065 1.00 2.08 O ATOM 0 H GLY A 46 14.556 12.153 2.543 1.00 2.04 H new ATOM 0 HA2 GLY A 46 14.584 12.177 5.361 1.00 2.08 H new ATOM 0 HA3 GLY A 46 13.850 13.401 4.343 1.00 2.08 H new ATOM 653 N ASN A 47 11.814 11.096 4.170 1.00 2.09 N ATOM 654 CA ASN A 47 10.457 10.606 4.539 1.00 2.14 C ATOM 655 C ASN A 47 10.052 9.470 3.597 1.00 1.80 C ATOM 656 O ASN A 47 10.549 9.359 2.495 1.00 1.63 O ATOM 657 CB ASN A 47 9.450 11.752 4.418 1.00 2.60 C ATOM 658 CG ASN A 47 9.907 12.721 3.328 1.00 2.84 C ATOM 659 OD1 ASN A 47 10.959 13.466 3.532 1.00 2.65 O flip ATOM 660 ND2 ASN A 47 9.300 12.803 2.277 1.00 3.61 N flip ATOM 0 H ASN A 47 12.154 10.788 3.259 1.00 2.09 H new ATOM 0 HA ASN A 47 10.469 10.240 5.566 1.00 2.14 H new ATOM 0 HB2 ASN A 47 8.462 11.358 4.178 1.00 2.60 H new ATOM 0 HB3 ASN A 47 9.362 12.275 5.370 1.00 2.60 H new ATOM 0 HD21 ASN A 47 8.478 12.221 2.116 1.00 3.61 H new ATOM 0 HD22 ASN A 47 9.613 13.453 1.556 1.00 3.61 H new ATOM 667 N PRO A 48 9.152 8.633 4.038 1.00 1.85 N ATOM 668 CA PRO A 48 8.662 7.478 3.232 1.00 1.74 C ATOM 669 C PRO A 48 7.752 7.919 2.082 1.00 1.36 C ATOM 670 O PRO A 48 7.655 7.258 1.068 1.00 1.19 O ATOM 671 CB PRO A 48 7.876 6.636 4.241 1.00 2.19 C ATOM 672 CG PRO A 48 7.453 7.588 5.311 1.00 2.36 C ATOM 673 CD PRO A 48 8.505 8.698 5.357 1.00 2.21 C ATOM 0 HA PRO A 48 9.483 6.938 2.760 1.00 1.74 H new ATOM 0 HB2 PRO A 48 7.013 6.165 3.771 1.00 2.19 H new ATOM 0 HB3 PRO A 48 8.493 5.836 4.649 1.00 2.19 H new ATOM 0 HG2 PRO A 48 6.467 7.999 5.095 1.00 2.36 H new ATOM 0 HG3 PRO A 48 7.383 7.081 6.274 1.00 2.36 H new ATOM 0 HD2 PRO A 48 8.049 9.673 5.530 1.00 2.21 H new ATOM 0 HD3 PRO A 48 9.222 8.535 6.161 1.00 2.21 H new ATOM 681 N TRP A 49 7.087 9.032 2.233 1.00 1.49 N ATOM 682 CA TRP A 49 6.186 9.513 1.148 1.00 1.39 C ATOM 683 C TRP A 49 7.005 10.281 0.109 1.00 1.17 C ATOM 684 O TRP A 49 6.544 11.247 -0.468 1.00 1.45 O ATOM 685 CB TRP A 49 5.120 10.435 1.742 1.00 1.79 C ATOM 686 CG TRP A 49 5.766 11.410 2.673 1.00 1.85 C ATOM 687 CD1 TRP A 49 6.661 12.357 2.309 1.00 1.69 C ATOM 688 CD2 TRP A 49 5.586 11.549 4.113 1.00 2.46 C ATOM 689 NE1 TRP A 49 7.041 13.069 3.432 1.00 1.97 N ATOM 690 CE2 TRP A 49 6.407 12.609 4.568 1.00 2.36 C ATOM 691 CE3 TRP A 49 4.800 10.867 5.058 1.00 3.27 C ATOM 692 CZ2 TRP A 49 6.445 12.978 5.915 1.00 2.90 C ATOM 693 CZ3 TRP A 49 4.836 11.235 6.412 1.00 3.87 C ATOM 694 CH2 TRP A 49 5.655 12.288 6.840 1.00 3.62 C ATOM 0 H TRP A 49 7.129 9.628 3.060 1.00 1.49 H new ATOM 0 HA TRP A 49 5.703 8.660 0.671 1.00 1.39 H new ATOM 0 HB2 TRP A 49 4.599 10.967 0.946 1.00 1.79 H new ATOM 0 HB3 TRP A 49 4.372 9.848 2.275 1.00 1.79 H new ATOM 0 HD1 TRP A 49 7.020 12.529 1.305 1.00 1.69 H new ATOM 0 HE1 TRP A 49 7.709 13.840 3.422 1.00 1.97 H new ATOM 0 HE3 TRP A 49 4.164 10.054 4.740 1.00 3.27 H new ATOM 0 HZ2 TRP A 49 7.079 13.790 6.239 1.00 2.90 H new ATOM 0 HZ3 TRP A 49 4.228 10.703 7.129 1.00 3.87 H new ATOM 0 HH2 TRP A 49 5.676 12.567 7.883 1.00 3.62 H new ATOM 705 N ASP A 50 8.216 9.863 -0.134 1.00 1.07 N ATOM 706 CA ASP A 50 9.063 10.571 -1.135 1.00 1.36 C ATOM 707 C ASP A 50 9.789 9.544 -2.006 1.00 1.21 C ATOM 708 O ASP A 50 10.974 9.650 -2.250 1.00 1.27 O ATOM 709 CB ASP A 50 10.090 11.442 -0.410 1.00 1.73 C ATOM 710 CG ASP A 50 9.503 12.835 -0.175 1.00 2.02 C ATOM 711 OD1 ASP A 50 8.344 13.031 -0.502 1.00 2.14 O ATOM 712 OD2 ASP A 50 10.223 13.683 0.327 1.00 2.38 O ATOM 0 H ASP A 50 8.656 9.061 0.317 1.00 1.07 H new ATOM 0 HA ASP A 50 8.433 11.200 -1.764 1.00 1.36 H new ATOM 0 HB2 ASP A 50 10.363 10.985 0.541 1.00 1.73 H new ATOM 0 HB3 ASP A 50 11.003 11.515 -1.002 1.00 1.73 H new ATOM 717 N ALA A 51 9.087 8.551 -2.480 1.00 1.09 N ATOM 718 CA ALA A 51 9.737 7.519 -3.336 1.00 1.02 C ATOM 719 C ALA A 51 8.750 6.381 -3.600 1.00 0.89 C ATOM 720 O ALA A 51 8.236 5.766 -2.687 1.00 0.87 O ATOM 721 CB ALA A 51 10.972 6.968 -2.621 1.00 1.11 C ATOM 0 H ALA A 51 8.091 8.410 -2.311 1.00 1.09 H new ATOM 0 HA ALA A 51 10.036 7.968 -4.283 1.00 1.02 H new ATOM 0 HB1 ALA A 51 11.448 6.213 -3.247 1.00 1.11 H new ATOM 0 HB2 ALA A 51 11.675 7.779 -2.432 1.00 1.11 H new ATOM 0 HB3 ALA A 51 10.674 6.519 -1.674 1.00 1.11 H new ATOM 727 N GLY A 52 8.480 6.094 -4.845 1.00 0.86 N ATOM 728 CA GLY A 52 7.526 4.995 -5.165 1.00 0.86 C ATOM 729 C GLY A 52 6.589 5.442 -6.289 1.00 0.87 C ATOM 730 O GLY A 52 6.854 6.402 -6.984 1.00 0.94 O ATOM 0 H GLY A 52 8.878 6.573 -5.653 1.00 0.86 H new ATOM 0 HA2 GLY A 52 8.072 4.101 -5.467 1.00 0.86 H new ATOM 0 HA3 GLY A 52 6.948 4.731 -4.279 1.00 0.86 H new ATOM 734 N LEU A 53 5.494 4.756 -6.472 1.00 0.83 N ATOM 735 CA LEU A 53 4.547 5.147 -7.548 1.00 0.84 C ATOM 736 C LEU A 53 3.190 5.487 -6.931 1.00 0.79 C ATOM 737 O LEU A 53 3.038 5.543 -5.727 1.00 0.78 O ATOM 738 CB LEU A 53 4.375 3.992 -8.538 1.00 0.85 C ATOM 739 CG LEU A 53 5.516 2.985 -8.374 1.00 0.90 C ATOM 740 CD1 LEU A 53 5.152 1.963 -7.296 1.00 0.90 C ATOM 741 CD2 LEU A 53 5.745 2.259 -9.701 1.00 0.96 C ATOM 0 H LEU A 53 5.217 3.943 -5.922 1.00 0.83 H new ATOM 0 HA LEU A 53 4.943 6.016 -8.074 1.00 0.84 H new ATOM 0 HB2 LEU A 53 3.417 3.499 -8.371 1.00 0.85 H new ATOM 0 HB3 LEU A 53 4.362 4.376 -9.558 1.00 0.85 H new ATOM 0 HG LEU A 53 6.423 3.513 -8.080 1.00 0.90 H new ATOM 0 HD11 LEU A 53 5.967 1.248 -7.182 1.00 0.90 H new ATOM 0 HD12 LEU A 53 4.985 2.477 -6.349 1.00 0.90 H new ATOM 0 HD13 LEU A 53 4.244 1.435 -7.587 1.00 0.90 H new ATOM 0 HD21 LEU A 53 6.557 1.541 -9.587 1.00 0.96 H new ATOM 0 HD22 LEU A 53 4.835 1.734 -9.990 1.00 0.96 H new ATOM 0 HD23 LEU A 53 6.007 2.984 -10.472 1.00 0.96 H new ATOM 753 N VAL A 54 2.201 5.710 -7.752 1.00 0.79 N ATOM 754 CA VAL A 54 0.842 6.045 -7.233 1.00 0.78 C ATOM 755 C VAL A 54 -0.185 5.814 -8.344 1.00 0.80 C ATOM 756 O VAL A 54 0.165 5.636 -9.494 1.00 0.90 O ATOM 757 CB VAL A 54 0.790 7.515 -6.804 1.00 0.89 C ATOM 758 CG1 VAL A 54 -0.621 7.858 -6.319 1.00 0.92 C ATOM 759 CG2 VAL A 54 1.783 7.766 -5.667 1.00 0.92 C ATOM 0 H VAL A 54 2.276 5.674 -8.769 1.00 0.79 H new ATOM 0 HA VAL A 54 0.620 5.413 -6.374 1.00 0.78 H new ATOM 0 HB VAL A 54 1.051 8.140 -7.658 1.00 0.89 H new ATOM 0 HG11 VAL A 54 -0.657 8.904 -6.014 1.00 0.92 H new ATOM 0 HG12 VAL A 54 -1.334 7.691 -7.126 1.00 0.92 H new ATOM 0 HG13 VAL A 54 -0.878 7.224 -5.471 1.00 0.92 H new ATOM 0 HG21 VAL A 54 1.738 8.814 -5.369 1.00 0.92 H new ATOM 0 HG22 VAL A 54 1.528 7.136 -4.815 1.00 0.92 H new ATOM 0 HG23 VAL A 54 2.791 7.528 -6.005 1.00 0.92 H new ATOM 769 N TYR A 55 -1.449 5.820 -8.014 1.00 0.78 N ATOM 770 CA TYR A 55 -2.489 5.601 -9.061 1.00 0.82 C ATOM 771 C TYR A 55 -3.880 5.749 -8.439 1.00 0.81 C ATOM 772 O TYR A 55 -4.024 5.890 -7.241 1.00 1.06 O ATOM 773 CB TYR A 55 -2.319 4.193 -9.641 1.00 0.83 C ATOM 774 CG TYR A 55 -3.215 3.980 -10.843 1.00 0.97 C ATOM 775 CD1 TYR A 55 -3.241 4.908 -11.896 1.00 1.59 C ATOM 776 CD2 TYR A 55 -4.014 2.830 -10.911 1.00 1.54 C ATOM 777 CE1 TYR A 55 -4.065 4.684 -13.006 1.00 1.70 C ATOM 778 CE2 TYR A 55 -4.837 2.609 -12.022 1.00 1.71 C ATOM 779 CZ TYR A 55 -4.860 3.535 -13.069 1.00 1.37 C ATOM 780 OH TYR A 55 -5.669 3.317 -14.165 1.00 1.61 O ATOM 0 H TYR A 55 -1.805 5.966 -7.069 1.00 0.78 H new ATOM 0 HA TYR A 55 -2.379 6.338 -9.857 1.00 0.82 H new ATOM 0 HB2 TYR A 55 -1.279 4.039 -9.929 1.00 0.83 H new ATOM 0 HB3 TYR A 55 -2.551 3.452 -8.876 1.00 0.83 H new ATOM 0 HD1 TYR A 55 -2.626 5.794 -11.850 1.00 1.59 H new ATOM 0 HD2 TYR A 55 -3.995 2.112 -10.104 1.00 1.54 H new ATOM 0 HE1 TYR A 55 -4.087 5.400 -13.815 1.00 1.70 H new ATOM 0 HE2 TYR A 55 -5.454 1.724 -12.070 1.00 1.71 H new ATOM 0 HH TYR A 55 -5.399 3.913 -14.894 1.00 1.61 H new ATOM 790 N ASN A 56 -4.906 5.728 -9.246 1.00 0.93 N ATOM 791 CA ASN A 56 -6.283 5.875 -8.709 1.00 1.01 C ATOM 792 C ASN A 56 -7.093 4.614 -9.019 1.00 1.28 C ATOM 793 O ASN A 56 -6.549 3.584 -9.365 1.00 2.04 O ATOM 794 CB ASN A 56 -6.950 7.085 -9.363 1.00 1.81 C ATOM 795 CG ASN A 56 -6.682 8.335 -8.524 1.00 2.22 C ATOM 796 OD1 ASN A 56 -5.646 8.364 -7.731 1.00 2.78 O flip ATOM 797 ND2 ASN A 56 -7.424 9.295 -8.589 1.00 2.47 N flip ATOM 0 H ASN A 56 -4.846 5.615 -10.258 1.00 0.93 H new ATOM 0 HA ASN A 56 -6.241 6.018 -7.629 1.00 1.01 H new ATOM 0 HB2 ASN A 56 -6.565 7.223 -10.373 1.00 1.81 H new ATOM 0 HB3 ASN A 56 -8.023 6.917 -9.451 1.00 1.81 H new ATOM 0 HD21 ASN A 56 -8.234 9.273 -9.209 1.00 2.47 H new ATOM 0 HD22 ASN A 56 -7.237 10.123 -8.024 1.00 2.47 H new ATOM 804 N GLY A 57 -8.391 4.687 -8.898 1.00 1.18 N ATOM 805 CA GLY A 57 -9.234 3.494 -9.187 1.00 1.77 C ATOM 806 C GLY A 57 -9.213 2.550 -7.984 1.00 1.64 C ATOM 807 O GLY A 57 -8.723 1.440 -8.062 1.00 2.48 O ATOM 0 H GLY A 57 -8.903 5.521 -8.612 1.00 1.18 H new ATOM 0 HA2 GLY A 57 -10.257 3.802 -9.403 1.00 1.77 H new ATOM 0 HA3 GLY A 57 -8.863 2.979 -10.073 1.00 1.77 H new ATOM 811 N VAL A 58 -9.740 2.979 -6.870 1.00 1.34 N ATOM 812 CA VAL A 58 -9.749 2.104 -5.664 1.00 1.99 C ATOM 813 C VAL A 58 -10.940 2.474 -4.776 1.00 1.78 C ATOM 814 O VAL A 58 -10.798 3.174 -3.793 1.00 1.95 O ATOM 815 CB VAL A 58 -8.445 2.299 -4.887 1.00 2.93 C ATOM 816 CG1 VAL A 58 -7.695 0.968 -4.800 1.00 3.79 C ATOM 817 CG2 VAL A 58 -7.570 3.326 -5.610 1.00 2.88 C ATOM 0 H VAL A 58 -10.165 3.898 -6.743 1.00 1.34 H new ATOM 0 HA VAL A 58 -9.836 1.061 -5.968 1.00 1.99 H new ATOM 0 HB VAL A 58 -8.673 2.654 -3.882 1.00 2.93 H new ATOM 0 HG11 VAL A 58 -6.767 1.109 -4.246 1.00 3.79 H new ATOM 0 HG12 VAL A 58 -8.316 0.234 -4.287 1.00 3.79 H new ATOM 0 HG13 VAL A 58 -7.468 0.612 -5.805 1.00 3.79 H new ATOM 0 HG21 VAL A 58 -6.641 3.466 -5.057 1.00 2.88 H new ATOM 0 HG22 VAL A 58 -7.344 2.969 -6.615 1.00 2.88 H new ATOM 0 HG23 VAL A 58 -8.101 4.276 -5.673 1.00 2.88 H new ATOM 827 N PRO A 59 -12.107 2.003 -5.124 1.00 1.85 N ATOM 828 CA PRO A 59 -13.351 2.282 -4.353 1.00 1.84 C ATOM 829 C PRO A 59 -13.448 1.426 -3.088 1.00 1.90 C ATOM 830 O PRO A 59 -13.457 0.212 -3.147 1.00 2.05 O ATOM 831 CB PRO A 59 -14.468 1.923 -5.331 1.00 2.07 C ATOM 832 CG PRO A 59 -13.880 0.903 -6.252 1.00 2.39 C ATOM 833 CD PRO A 59 -12.370 1.152 -6.295 1.00 2.40 C ATOM 0 HA PRO A 59 -13.393 3.314 -4.005 1.00 1.84 H new ATOM 0 HB2 PRO A 59 -15.336 1.524 -4.806 1.00 2.07 H new ATOM 0 HB3 PRO A 59 -14.805 2.801 -5.882 1.00 2.07 H new ATOM 0 HG2 PRO A 59 -14.094 -0.105 -5.897 1.00 2.39 H new ATOM 0 HG3 PRO A 59 -14.313 0.989 -7.249 1.00 2.39 H new ATOM 0 HD2 PRO A 59 -11.811 0.218 -6.241 1.00 2.40 H new ATOM 0 HD3 PRO A 59 -12.075 1.647 -7.220 1.00 2.40 H new ATOM 841 N VAL A 60 -13.519 2.048 -1.943 1.00 2.10 N ATOM 842 CA VAL A 60 -13.613 1.268 -0.677 1.00 2.46 C ATOM 843 C VAL A 60 -15.042 1.340 -0.134 1.00 2.53 C ATOM 844 O VAL A 60 -15.547 2.400 0.172 1.00 2.50 O ATOM 845 CB VAL A 60 -12.645 1.851 0.354 1.00 2.79 C ATOM 846 CG1 VAL A 60 -11.879 0.716 1.038 1.00 3.08 C ATOM 847 CG2 VAL A 60 -11.654 2.782 -0.346 1.00 2.93 C ATOM 0 H VAL A 60 -13.516 3.062 -1.830 1.00 2.10 H new ATOM 0 HA VAL A 60 -13.353 0.228 -0.873 1.00 2.46 H new ATOM 0 HB VAL A 60 -13.207 2.411 1.101 1.00 2.79 H new ATOM 0 HG11 VAL A 60 -11.190 1.133 1.772 1.00 3.08 H new ATOM 0 HG12 VAL A 60 -12.583 0.051 1.538 1.00 3.08 H new ATOM 0 HG13 VAL A 60 -11.318 0.154 0.291 1.00 3.08 H new ATOM 0 HG21 VAL A 60 -10.964 3.198 0.388 1.00 2.93 H new ATOM 0 HG22 VAL A 60 -11.093 2.221 -1.094 1.00 2.93 H new ATOM 0 HG23 VAL A 60 -12.197 3.592 -0.833 1.00 2.93 H new ATOM 857 N GLY A 61 -15.694 0.216 -0.012 1.00 2.83 N ATOM 858 CA GLY A 61 -17.089 0.216 0.513 1.00 3.05 C ATOM 859 C GLY A 61 -17.200 -0.795 1.656 1.00 2.72 C ATOM 860 O GLY A 61 -17.394 -1.973 1.437 1.00 2.61 O ATOM 0 H GLY A 61 -15.321 -0.702 -0.253 1.00 2.83 H new ATOM 0 HA2 GLY A 61 -17.357 1.212 0.866 1.00 3.05 H new ATOM 0 HA3 GLY A 61 -17.789 -0.039 -0.283 1.00 3.05 H new ATOM 864 N GLU A 62 -17.075 -0.342 2.874 1.00 3.03 N ATOM 865 CA GLU A 62 -17.169 -1.276 4.032 1.00 2.96 C ATOM 866 C GLU A 62 -18.196 -2.367 3.722 1.00 2.29 C ATOM 867 O GLU A 62 -19.194 -2.128 3.071 1.00 2.02 O ATOM 868 CB GLU A 62 -17.612 -0.500 5.274 1.00 4.03 C ATOM 869 CG GLU A 62 -19.018 0.064 5.052 1.00 4.32 C ATOM 870 CD GLU A 62 -19.024 0.943 3.800 1.00 5.32 C ATOM 871 OE1 GLU A 62 -19.217 0.405 2.723 1.00 6.05 O ATOM 872 OE2 GLU A 62 -18.836 2.140 3.941 1.00 5.54 O ATOM 0 H GLU A 62 -16.912 0.635 3.117 1.00 3.03 H new ATOM 0 HA GLU A 62 -16.196 -1.732 4.214 1.00 2.96 H new ATOM 0 HB2 GLU A 62 -17.605 -1.154 6.146 1.00 4.03 H new ATOM 0 HB3 GLU A 62 -16.912 0.310 5.478 1.00 4.03 H new ATOM 0 HG2 GLU A 62 -19.734 -0.750 4.941 1.00 4.32 H new ATOM 0 HG3 GLU A 62 -19.329 0.646 5.919 1.00 4.32 H new ATOM 879 N GLY A 63 -17.962 -3.565 4.182 1.00 2.54 N ATOM 880 CA GLY A 63 -18.928 -4.668 3.912 1.00 2.46 C ATOM 881 C GLY A 63 -18.331 -5.630 2.883 1.00 2.21 C ATOM 882 O GLY A 63 -18.525 -6.828 2.954 1.00 2.29 O ATOM 0 H GLY A 63 -17.145 -3.828 4.733 1.00 2.54 H new ATOM 0 HA2 GLY A 63 -19.154 -5.201 4.835 1.00 2.46 H new ATOM 0 HA3 GLY A 63 -19.868 -4.260 3.541 1.00 2.46 H new ATOM 886 N GLU A 64 -17.606 -5.118 1.927 1.00 2.23 N ATOM 887 CA GLU A 64 -16.998 -6.003 0.897 1.00 2.27 C ATOM 888 C GLU A 64 -15.529 -6.248 1.247 1.00 2.19 C ATOM 889 O GLU A 64 -15.022 -5.734 2.225 1.00 2.81 O ATOM 890 CB GLU A 64 -17.091 -5.327 -0.472 1.00 2.70 C ATOM 891 CG GLU A 64 -18.401 -5.729 -1.153 1.00 3.18 C ATOM 892 CD GLU A 64 -18.606 -4.880 -2.408 1.00 3.59 C ATOM 893 OE1 GLU A 64 -17.621 -4.395 -2.940 1.00 4.03 O ATOM 894 OE2 GLU A 64 -19.746 -4.728 -2.817 1.00 3.92 O ATOM 0 H GLU A 64 -17.409 -4.123 1.815 1.00 2.23 H new ATOM 0 HA GLU A 64 -17.530 -6.954 0.869 1.00 2.27 H new ATOM 0 HB2 GLU A 64 -17.046 -4.244 -0.358 1.00 2.70 H new ATOM 0 HB3 GLU A 64 -16.243 -5.618 -1.091 1.00 2.70 H new ATOM 0 HG2 GLU A 64 -18.376 -6.786 -1.417 1.00 3.18 H new ATOM 0 HG3 GLU A 64 -19.237 -5.591 -0.467 1.00 3.18 H new ATOM 901 N SER A 65 -14.840 -7.031 0.463 1.00 1.71 N ATOM 902 CA SER A 65 -13.408 -7.303 0.764 1.00 1.83 C ATOM 903 C SER A 65 -12.568 -7.132 -0.503 1.00 1.49 C ATOM 904 O SER A 65 -12.772 -7.810 -1.491 1.00 1.87 O ATOM 905 CB SER A 65 -13.256 -8.733 1.284 1.00 2.37 C ATOM 906 OG SER A 65 -13.961 -8.864 2.510 1.00 2.91 O ATOM 0 H SER A 65 -15.206 -7.492 -0.370 1.00 1.71 H new ATOM 0 HA SER A 65 -13.064 -6.600 1.522 1.00 1.83 H new ATOM 0 HB2 SER A 65 -13.643 -9.442 0.551 1.00 2.37 H new ATOM 0 HB3 SER A 65 -12.202 -8.969 1.430 1.00 2.37 H new ATOM 0 HG SER A 65 -13.867 -9.780 2.845 1.00 2.91 H new ATOM 912 N TYR A 66 -11.624 -6.231 -0.482 1.00 1.14 N ATOM 913 CA TYR A 66 -10.772 -6.014 -1.679 1.00 1.22 C ATOM 914 C TYR A 66 -9.498 -6.853 -1.556 1.00 1.63 C ATOM 915 O TYR A 66 -9.145 -7.312 -0.486 1.00 2.01 O ATOM 916 CB TYR A 66 -10.399 -4.537 -1.762 1.00 1.29 C ATOM 917 CG TYR A 66 -11.654 -3.697 -1.697 1.00 1.20 C ATOM 918 CD1 TYR A 66 -12.361 -3.406 -2.869 1.00 1.79 C ATOM 919 CD2 TYR A 66 -12.110 -3.213 -0.466 1.00 1.47 C ATOM 920 CE1 TYR A 66 -13.524 -2.630 -2.811 1.00 1.98 C ATOM 921 CE2 TYR A 66 -13.274 -2.436 -0.407 1.00 1.86 C ATOM 922 CZ TYR A 66 -13.980 -2.145 -1.580 1.00 1.87 C ATOM 923 OH TYR A 66 -15.128 -1.380 -1.522 1.00 2.38 O ATOM 0 H TYR A 66 -11.408 -5.635 0.317 1.00 1.14 H new ATOM 0 HA TYR A 66 -11.315 -6.309 -2.577 1.00 1.22 H new ATOM 0 HB2 TYR A 66 -9.729 -4.273 -0.944 1.00 1.29 H new ATOM 0 HB3 TYR A 66 -9.863 -4.338 -2.690 1.00 1.29 H new ATOM 0 HD1 TYR A 66 -12.009 -3.781 -3.819 1.00 1.79 H new ATOM 0 HD2 TYR A 66 -11.565 -3.438 0.439 1.00 1.47 H new ATOM 0 HE1 TYR A 66 -14.069 -2.405 -3.716 1.00 1.98 H new ATOM 0 HE2 TYR A 66 -13.626 -2.062 0.543 1.00 1.86 H new ATOM 0 HH TYR A 66 -15.013 -0.575 -2.069 1.00 2.38 H new ATOM 933 N VAL A 67 -8.808 -7.052 -2.647 1.00 1.69 N ATOM 934 CA VAL A 67 -7.557 -7.863 -2.609 1.00 2.07 C ATOM 935 C VAL A 67 -6.562 -7.319 -3.638 1.00 2.20 C ATOM 936 O VAL A 67 -6.742 -7.476 -4.829 1.00 2.22 O ATOM 937 CB VAL A 67 -7.886 -9.318 -2.952 1.00 2.37 C ATOM 938 CG1 VAL A 67 -6.853 -10.251 -2.314 1.00 2.61 C ATOM 939 CG2 VAL A 67 -9.280 -9.666 -2.426 1.00 2.54 C ATOM 0 H VAL A 67 -9.058 -6.686 -3.566 1.00 1.69 H new ATOM 0 HA VAL A 67 -7.120 -7.807 -1.612 1.00 2.07 H new ATOM 0 HB VAL A 67 -7.862 -9.443 -4.035 1.00 2.37 H new ATOM 0 HG11 VAL A 67 -7.094 -11.285 -2.562 1.00 2.61 H new ATOM 0 HG12 VAL A 67 -5.860 -10.008 -2.693 1.00 2.61 H new ATOM 0 HG13 VAL A 67 -6.869 -10.125 -1.231 1.00 2.61 H new ATOM 0 HG21 VAL A 67 -9.513 -10.702 -2.671 1.00 2.54 H new ATOM 0 HG22 VAL A 67 -9.304 -9.535 -1.344 1.00 2.54 H new ATOM 0 HG23 VAL A 67 -10.017 -9.009 -2.888 1.00 2.54 H new ATOM 949 N LEU A 68 -5.509 -6.688 -3.193 1.00 2.36 N ATOM 950 CA LEU A 68 -4.506 -6.147 -4.154 1.00 2.59 C ATOM 951 C LEU A 68 -3.360 -7.150 -4.304 1.00 2.17 C ATOM 952 O LEU A 68 -2.981 -7.817 -3.363 1.00 2.07 O ATOM 953 CB LEU A 68 -3.961 -4.814 -3.629 1.00 3.01 C ATOM 954 CG LEU A 68 -2.998 -4.202 -4.649 1.00 3.40 C ATOM 955 CD1 LEU A 68 -2.836 -2.710 -4.364 1.00 3.46 C ATOM 956 CD2 LEU A 68 -1.631 -4.888 -4.557 1.00 3.61 C ATOM 0 H LEU A 68 -5.300 -6.524 -2.208 1.00 2.36 H new ATOM 0 HA LEU A 68 -4.977 -5.985 -5.124 1.00 2.59 H new ATOM 0 HB2 LEU A 68 -4.784 -4.126 -3.436 1.00 3.01 H new ATOM 0 HB3 LEU A 68 -3.447 -4.970 -2.680 1.00 3.01 H new ATOM 0 HG LEU A 68 -3.403 -4.344 -5.651 1.00 3.40 H new ATOM 0 HD11 LEU A 68 -2.150 -2.273 -5.090 1.00 3.46 H new ATOM 0 HD12 LEU A 68 -3.806 -2.218 -4.439 1.00 3.46 H new ATOM 0 HD13 LEU A 68 -2.436 -2.573 -3.359 1.00 3.46 H new ATOM 0 HD21 LEU A 68 -0.952 -4.446 -5.286 1.00 3.61 H new ATOM 0 HD22 LEU A 68 -1.224 -4.754 -3.555 1.00 3.61 H new ATOM 0 HD23 LEU A 68 -1.743 -5.952 -4.764 1.00 3.61 H new ATOM 968 N SER A 69 -2.804 -7.260 -5.481 1.00 1.98 N ATOM 969 CA SER A 69 -1.680 -8.219 -5.694 1.00 1.66 C ATOM 970 C SER A 69 -0.622 -7.557 -6.579 1.00 1.53 C ATOM 971 O SER A 69 -0.806 -7.412 -7.770 1.00 1.60 O ATOM 972 CB SER A 69 -2.207 -9.479 -6.382 1.00 1.82 C ATOM 973 OG SER A 69 -1.422 -9.746 -7.536 1.00 2.27 O ATOM 0 H SER A 69 -3.080 -6.727 -6.306 1.00 1.98 H new ATOM 0 HA SER A 69 -1.240 -8.491 -4.735 1.00 1.66 H new ATOM 0 HB2 SER A 69 -2.167 -10.326 -5.697 1.00 1.82 H new ATOM 0 HB3 SER A 69 -3.252 -9.345 -6.662 1.00 1.82 H new ATOM 0 HG SER A 69 -1.540 -9.022 -8.186 1.00 2.27 H new ATOM 979 N PHE A 70 0.479 -7.139 -6.011 1.00 1.38 N ATOM 980 CA PHE A 70 1.520 -6.477 -6.848 1.00 1.30 C ATOM 981 C PHE A 70 2.568 -7.488 -7.316 1.00 1.23 C ATOM 982 O PHE A 70 2.948 -8.389 -6.595 1.00 1.40 O ATOM 983 CB PHE A 70 2.194 -5.338 -6.076 1.00 1.34 C ATOM 984 CG PHE A 70 2.576 -5.780 -4.684 1.00 1.31 C ATOM 985 CD1 PHE A 70 1.586 -5.975 -3.714 1.00 1.96 C ATOM 986 CD2 PHE A 70 3.924 -5.971 -4.360 1.00 1.23 C ATOM 987 CE1 PHE A 70 1.947 -6.365 -2.419 1.00 2.01 C ATOM 988 CE2 PHE A 70 4.283 -6.358 -3.064 1.00 1.35 C ATOM 989 CZ PHE A 70 3.295 -6.554 -2.093 1.00 1.48 C ATOM 0 H PHE A 70 0.700 -7.226 -5.019 1.00 1.38 H new ATOM 0 HA PHE A 70 1.027 -6.059 -7.726 1.00 1.30 H new ATOM 0 HB2 PHE A 70 3.083 -5.006 -6.613 1.00 1.34 H new ATOM 0 HB3 PHE A 70 1.519 -4.484 -6.018 1.00 1.34 H new ATOM 0 HD1 PHE A 70 0.546 -5.825 -3.964 1.00 1.96 H new ATOM 0 HD2 PHE A 70 4.687 -5.820 -5.110 1.00 1.23 H new ATOM 0 HE1 PHE A 70 1.184 -6.520 -1.670 1.00 2.01 H new ATOM 0 HE2 PHE A 70 5.323 -6.505 -2.813 1.00 1.35 H new ATOM 0 HZ PHE A 70 3.572 -6.851 -1.092 1.00 1.48 H new ATOM 999 N THR A 71 3.052 -7.325 -8.518 1.00 1.13 N ATOM 1000 CA THR A 71 4.092 -8.249 -9.048 1.00 1.16 C ATOM 1001 C THR A 71 5.462 -7.600 -8.857 1.00 1.11 C ATOM 1002 O THR A 71 5.881 -6.784 -9.654 1.00 1.39 O ATOM 1003 CB THR A 71 3.854 -8.481 -10.542 1.00 1.26 C ATOM 1004 OG1 THR A 71 3.251 -7.324 -11.103 1.00 1.15 O ATOM 1005 CG2 THR A 71 2.935 -9.685 -10.748 1.00 1.80 C ATOM 0 H THR A 71 2.768 -6.585 -9.159 1.00 1.13 H new ATOM 0 HA THR A 71 4.047 -9.202 -8.520 1.00 1.16 H new ATOM 0 HB THR A 71 4.808 -8.677 -11.031 1.00 1.26 H new ATOM 0 HG1 THR A 71 3.397 -6.558 -10.509 1.00 1.15 H new ATOM 0 HG21 THR A 71 2.773 -9.841 -11.815 1.00 1.80 H new ATOM 0 HG22 THR A 71 3.397 -10.573 -10.318 1.00 1.80 H new ATOM 0 HG23 THR A 71 1.979 -9.501 -10.259 1.00 1.80 H new ATOM 1013 N ALA A 72 6.164 -7.934 -7.809 1.00 0.96 N ATOM 1014 CA ALA A 72 7.495 -7.300 -7.602 1.00 0.87 C ATOM 1015 C ALA A 72 8.314 -8.079 -6.575 1.00 0.81 C ATOM 1016 O ALA A 72 7.868 -9.059 -6.012 1.00 0.85 O ATOM 1017 CB ALA A 72 7.296 -5.869 -7.098 1.00 0.81 C ATOM 0 H ALA A 72 5.879 -8.607 -7.098 1.00 0.96 H new ATOM 0 HA ALA A 72 8.031 -7.299 -8.551 1.00 0.87 H new ATOM 0 HB1 ALA A 72 8.267 -5.399 -6.944 1.00 0.81 H new ATOM 0 HB2 ALA A 72 6.730 -5.299 -7.835 1.00 0.81 H new ATOM 0 HB3 ALA A 72 6.749 -5.888 -6.155 1.00 0.81 H new ATOM 1023 N SER A 73 9.516 -7.634 -6.329 1.00 0.75 N ATOM 1024 CA SER A 73 10.389 -8.322 -5.338 1.00 0.72 C ATOM 1025 C SER A 73 11.333 -7.296 -4.706 1.00 0.64 C ATOM 1026 O SER A 73 11.652 -6.285 -5.301 1.00 0.84 O ATOM 1027 CB SER A 73 11.206 -9.406 -6.041 1.00 0.82 C ATOM 1028 OG SER A 73 11.442 -9.016 -7.387 1.00 0.93 O ATOM 0 H SER A 73 9.933 -6.817 -6.776 1.00 0.75 H new ATOM 0 HA SER A 73 9.775 -8.782 -4.564 1.00 0.72 H new ATOM 0 HB2 SER A 73 12.153 -9.558 -5.523 1.00 0.82 H new ATOM 0 HB3 SER A 73 10.672 -10.356 -6.014 1.00 0.82 H new ATOM 0 HG SER A 73 11.967 -9.708 -7.841 1.00 0.93 H new ATOM 1034 N ALA A 74 11.783 -7.546 -3.506 1.00 0.66 N ATOM 1035 CA ALA A 74 12.704 -6.583 -2.840 1.00 0.59 C ATOM 1036 C ALA A 74 14.152 -7.025 -3.058 1.00 0.61 C ATOM 1037 O ALA A 74 14.470 -8.195 -2.988 1.00 0.67 O ATOM 1038 CB ALA A 74 12.403 -6.547 -1.341 1.00 0.59 C ATOM 0 H ALA A 74 11.552 -8.375 -2.959 1.00 0.66 H new ATOM 0 HA ALA A 74 12.561 -5.590 -3.265 1.00 0.59 H new ATOM 0 HB1 ALA A 74 13.076 -5.843 -0.852 1.00 0.59 H new ATOM 0 HB2 ALA A 74 11.371 -6.232 -1.185 1.00 0.59 H new ATOM 0 HB3 ALA A 74 12.547 -7.541 -0.917 1.00 0.59 H new ATOM 1044 N THR A 75 15.034 -6.100 -3.326 1.00 0.62 N ATOM 1045 CA THR A 75 16.456 -6.465 -3.553 1.00 0.72 C ATOM 1046 C THR A 75 17.370 -5.460 -2.835 1.00 0.72 C ATOM 1047 O THR A 75 17.409 -4.301 -3.198 1.00 0.74 O ATOM 1048 CB THR A 75 16.737 -6.412 -5.053 1.00 0.85 C ATOM 1049 OG1 THR A 75 15.882 -5.450 -5.656 1.00 0.86 O ATOM 1050 CG2 THR A 75 16.480 -7.785 -5.676 1.00 0.97 C ATOM 0 H THR A 75 14.827 -5.104 -3.397 1.00 0.62 H new ATOM 0 HA THR A 75 16.647 -7.466 -3.165 1.00 0.72 H new ATOM 0 HB THR A 75 17.778 -6.133 -5.217 1.00 0.85 H new ATOM 0 HG1 THR A 75 16.060 -5.412 -6.619 1.00 0.86 H new ATOM 0 HG21 THR A 75 16.682 -7.742 -6.746 1.00 0.97 H new ATOM 0 HG22 THR A 75 17.134 -8.523 -5.212 1.00 0.97 H new ATOM 0 HG23 THR A 75 15.440 -8.069 -5.514 1.00 0.97 H new ATOM 1058 N PRO A 76 18.111 -5.880 -1.834 1.00 0.77 N ATOM 1059 CA PRO A 76 18.117 -7.290 -1.328 1.00 0.83 C ATOM 1060 C PRO A 76 16.760 -7.690 -0.734 1.00 0.73 C ATOM 1061 O PRO A 76 15.723 -7.276 -1.210 1.00 0.68 O ATOM 1062 CB PRO A 76 19.217 -7.280 -0.253 1.00 0.97 C ATOM 1063 CG PRO A 76 19.370 -5.855 0.155 1.00 1.02 C ATOM 1064 CD PRO A 76 19.039 -5.024 -1.078 1.00 0.85 C ATOM 0 HA PRO A 76 18.300 -8.017 -2.119 1.00 0.83 H new ATOM 0 HB2 PRO A 76 18.939 -7.903 0.597 1.00 0.97 H new ATOM 0 HB3 PRO A 76 20.153 -7.677 -0.647 1.00 0.97 H new ATOM 0 HG2 PRO A 76 18.700 -5.612 0.980 1.00 1.02 H new ATOM 0 HG3 PRO A 76 20.385 -5.655 0.499 1.00 1.02 H new ATOM 0 HD2 PRO A 76 18.579 -4.073 -0.809 1.00 0.85 H new ATOM 0 HD3 PRO A 76 19.933 -4.793 -1.657 1.00 0.85 H new ATOM 1072 N ASP A 77 16.745 -8.484 0.301 1.00 0.81 N ATOM 1073 CA ASP A 77 15.444 -8.893 0.904 1.00 0.76 C ATOM 1074 C ASP A 77 15.042 -7.889 1.986 1.00 0.72 C ATOM 1075 O ASP A 77 15.880 -7.278 2.619 1.00 0.78 O ATOM 1076 CB ASP A 77 15.585 -10.283 1.527 1.00 0.91 C ATOM 1077 CG ASP A 77 16.633 -11.086 0.755 1.00 1.09 C ATOM 1078 OD1 ASP A 77 17.747 -10.604 0.631 1.00 1.30 O ATOM 1079 OD2 ASP A 77 16.304 -12.170 0.302 1.00 1.75 O ATOM 0 H ASP A 77 17.575 -8.867 0.755 1.00 0.81 H new ATOM 0 HA ASP A 77 14.678 -8.917 0.129 1.00 0.76 H new ATOM 0 HB2 ASP A 77 15.877 -10.196 2.574 1.00 0.91 H new ATOM 0 HB3 ASP A 77 14.626 -10.801 1.506 1.00 0.91 H new ATOM 1084 N MET A 78 13.765 -7.719 2.203 1.00 0.75 N ATOM 1085 CA MET A 78 13.300 -6.759 3.245 1.00 0.87 C ATOM 1086 C MET A 78 11.846 -6.371 2.964 1.00 0.89 C ATOM 1087 O MET A 78 11.374 -6.468 1.848 1.00 0.93 O ATOM 1088 CB MET A 78 14.175 -5.503 3.216 1.00 1.01 C ATOM 1089 CG MET A 78 15.183 -5.542 4.369 1.00 1.19 C ATOM 1090 SD MET A 78 16.720 -4.737 3.851 1.00 1.83 S ATOM 1091 CE MET A 78 16.243 -3.044 4.276 1.00 2.16 C ATOM 0 H MET A 78 13.022 -8.206 1.702 1.00 0.75 H new ATOM 0 HA MET A 78 13.372 -7.227 4.227 1.00 0.87 H new ATOM 0 HB2 MET A 78 14.701 -5.438 2.264 1.00 1.01 H new ATOM 0 HB3 MET A 78 13.551 -4.613 3.297 1.00 1.01 H new ATOM 0 HG2 MET A 78 14.772 -5.037 5.243 1.00 1.19 H new ATOM 0 HG3 MET A 78 15.380 -6.574 4.660 1.00 1.19 H new ATOM 0 HE1 MET A 78 16.759 -2.345 3.618 1.00 2.16 H new ATOM 0 HE2 MET A 78 15.166 -2.928 4.156 1.00 2.16 H new ATOM 0 HE3 MET A 78 16.517 -2.838 5.311 1.00 2.16 H new ATOM 1101 N PRO A 79 11.143 -5.933 3.973 1.00 0.96 N ATOM 1102 CA PRO A 79 9.716 -5.517 3.847 1.00 1.04 C ATOM 1103 C PRO A 79 9.565 -4.134 3.206 1.00 1.13 C ATOM 1104 O PRO A 79 10.401 -3.268 3.372 1.00 1.28 O ATOM 1105 CB PRO A 79 9.224 -5.487 5.293 1.00 1.12 C ATOM 1106 CG PRO A 79 10.438 -5.200 6.113 1.00 1.38 C ATOM 1107 CD PRO A 79 11.632 -5.786 5.355 1.00 1.11 C ATOM 0 HA PRO A 79 9.153 -6.193 3.204 1.00 1.04 H new ATOM 0 HB2 PRO A 79 8.463 -4.720 5.434 1.00 1.12 H new ATOM 0 HB3 PRO A 79 8.774 -6.439 5.576 1.00 1.12 H new ATOM 0 HG2 PRO A 79 10.561 -4.127 6.259 1.00 1.38 H new ATOM 0 HG3 PRO A 79 10.351 -5.648 7.103 1.00 1.38 H new ATOM 0 HD2 PRO A 79 12.498 -5.126 5.403 1.00 1.11 H new ATOM 0 HD3 PRO A 79 11.938 -6.745 5.774 1.00 1.11 H new ATOM 1115 N VAL A 80 8.503 -3.920 2.478 1.00 1.13 N ATOM 1116 CA VAL A 80 8.297 -2.592 1.833 1.00 1.31 C ATOM 1117 C VAL A 80 7.117 -1.883 2.499 1.00 1.45 C ATOM 1118 O VAL A 80 6.590 -2.336 3.497 1.00 1.98 O ATOM 1119 CB VAL A 80 8.012 -2.784 0.339 1.00 1.56 C ATOM 1120 CG1 VAL A 80 8.699 -4.059 -0.154 1.00 2.01 C ATOM 1121 CG2 VAL A 80 6.503 -2.905 0.110 1.00 1.79 C ATOM 0 H VAL A 80 7.770 -4.607 2.302 1.00 1.13 H new ATOM 0 HA VAL A 80 9.196 -1.986 1.950 1.00 1.31 H new ATOM 0 HB VAL A 80 8.395 -1.924 -0.210 1.00 1.56 H new ATOM 0 HG11 VAL A 80 8.496 -4.194 -1.216 1.00 2.01 H new ATOM 0 HG12 VAL A 80 9.775 -3.976 0.002 1.00 2.01 H new ATOM 0 HG13 VAL A 80 8.317 -4.916 0.401 1.00 2.01 H new ATOM 0 HG21 VAL A 80 6.306 -3.041 -0.953 1.00 1.79 H new ATOM 0 HG22 VAL A 80 6.119 -3.762 0.663 1.00 1.79 H new ATOM 0 HG23 VAL A 80 6.008 -1.998 0.457 1.00 1.79 H new ATOM 1131 N ARG A 81 6.694 -0.774 1.957 1.00 1.48 N ATOM 1132 CA ARG A 81 5.546 -0.040 2.559 1.00 1.84 C ATOM 1133 C ARG A 81 4.436 0.117 1.518 1.00 2.04 C ATOM 1134 O ARG A 81 4.692 0.323 0.348 1.00 2.57 O ATOM 1135 CB ARG A 81 6.010 1.343 3.023 1.00 2.24 C ATOM 1136 CG ARG A 81 5.542 1.583 4.459 1.00 2.95 C ATOM 1137 CD ARG A 81 6.131 2.897 4.976 1.00 4.04 C ATOM 1138 NE ARG A 81 5.118 3.600 5.813 1.00 4.81 N ATOM 1139 CZ ARG A 81 5.484 4.579 6.595 1.00 5.14 C ATOM 1140 NH1 ARG A 81 6.736 4.943 6.644 1.00 4.94 N ATOM 1141 NH2 ARG A 81 4.597 5.194 7.330 1.00 6.01 N ATOM 0 H ARG A 81 7.094 -0.345 1.123 1.00 1.48 H new ATOM 0 HA ARG A 81 5.166 -0.601 3.413 1.00 1.84 H new ATOM 0 HB2 ARG A 81 7.096 1.411 2.967 1.00 2.24 H new ATOM 0 HB3 ARG A 81 5.608 2.113 2.365 1.00 2.24 H new ATOM 0 HG2 ARG A 81 4.453 1.621 4.496 1.00 2.95 H new ATOM 0 HG3 ARG A 81 5.854 0.756 5.097 1.00 2.95 H new ATOM 0 HD2 ARG A 81 7.029 2.700 5.562 1.00 4.04 H new ATOM 0 HD3 ARG A 81 6.429 3.529 4.139 1.00 4.04 H new ATOM 0 HE ARG A 81 4.139 3.316 5.775 1.00 4.81 H new ATOM 0 HH11 ARG A 81 7.430 4.462 6.071 1.00 4.94 H new ATOM 0 HH12 ARG A 81 7.021 5.708 7.255 1.00 4.94 H new ATOM 0 HH21 ARG A 81 3.618 4.909 7.293 1.00 6.01 H new ATOM 0 HH22 ARG A 81 4.883 5.959 7.941 1.00 6.01 H new ATOM 1155 N VAL A 82 3.203 0.019 1.934 1.00 2.00 N ATOM 1156 CA VAL A 82 2.077 0.161 0.972 1.00 2.41 C ATOM 1157 C VAL A 82 0.887 0.813 1.676 1.00 1.99 C ATOM 1158 O VAL A 82 0.688 0.645 2.862 1.00 1.85 O ATOM 1159 CB VAL A 82 1.672 -1.220 0.457 1.00 3.05 C ATOM 1160 CG1 VAL A 82 1.690 -2.222 1.614 1.00 3.76 C ATOM 1161 CG2 VAL A 82 0.263 -1.153 -0.134 1.00 3.57 C ATOM 0 H VAL A 82 2.928 -0.154 2.901 1.00 2.00 H new ATOM 0 HA VAL A 82 2.389 0.784 0.134 1.00 2.41 H new ATOM 0 HB VAL A 82 2.375 -1.539 -0.313 1.00 3.05 H new ATOM 0 HG11 VAL A 82 1.401 -3.207 1.247 1.00 3.76 H new ATOM 0 HG12 VAL A 82 2.694 -2.272 2.036 1.00 3.76 H new ATOM 0 HG13 VAL A 82 0.988 -1.902 2.384 1.00 3.76 H new ATOM 0 HG21 VAL A 82 -0.025 -2.138 -0.501 1.00 3.57 H new ATOM 0 HG22 VAL A 82 -0.439 -0.833 0.636 1.00 3.57 H new ATOM 0 HG23 VAL A 82 0.248 -0.440 -0.958 1.00 3.57 H new ATOM 1171 N LEU A 83 0.092 1.556 0.957 1.00 2.02 N ATOM 1172 CA LEU A 83 -1.084 2.213 1.593 1.00 1.82 C ATOM 1173 C LEU A 83 -2.196 2.396 0.558 1.00 1.64 C ATOM 1174 O LEU A 83 -1.944 2.529 -0.623 1.00 1.78 O ATOM 1175 CB LEU A 83 -0.669 3.579 2.144 1.00 2.29 C ATOM 1176 CG LEU A 83 -0.090 4.434 1.016 1.00 1.71 C ATOM 1177 CD1 LEU A 83 -0.602 5.870 1.148 1.00 1.99 C ATOM 1178 CD2 LEU A 83 1.438 4.429 1.107 1.00 1.42 C ATOM 0 H LEU A 83 0.205 1.736 -0.041 1.00 2.02 H new ATOM 0 HA LEU A 83 -1.450 1.587 2.407 1.00 1.82 H new ATOM 0 HB2 LEU A 83 -1.529 4.080 2.588 1.00 2.29 H new ATOM 0 HB3 LEU A 83 0.070 3.454 2.935 1.00 2.29 H new ATOM 0 HG LEU A 83 -0.400 4.025 0.055 1.00 1.71 H new ATOM 0 HD11 LEU A 83 -0.189 6.479 0.344 1.00 1.99 H new ATOM 0 HD12 LEU A 83 -1.690 5.876 1.085 1.00 1.99 H new ATOM 0 HD13 LEU A 83 -0.292 6.280 2.109 1.00 1.99 H new ATOM 0 HD21 LEU A 83 1.852 5.038 0.304 1.00 1.42 H new ATOM 0 HD22 LEU A 83 1.747 4.839 2.069 1.00 1.42 H new ATOM 0 HD23 LEU A 83 1.805 3.407 1.013 1.00 1.42 H new ATOM 1190 N VAL A 84 -3.425 2.406 0.996 1.00 1.54 N ATOM 1191 CA VAL A 84 -4.557 2.581 0.042 1.00 1.53 C ATOM 1192 C VAL A 84 -5.723 3.265 0.759 1.00 1.46 C ATOM 1193 O VAL A 84 -5.725 3.403 1.965 1.00 1.51 O ATOM 1194 CB VAL A 84 -5.020 1.217 -0.471 1.00 1.58 C ATOM 1195 CG1 VAL A 84 -5.467 1.343 -1.928 1.00 1.89 C ATOM 1196 CG2 VAL A 84 -3.866 0.214 -0.379 1.00 1.84 C ATOM 0 H VAL A 84 -3.695 2.300 1.974 1.00 1.54 H new ATOM 0 HA VAL A 84 -4.225 3.192 -0.798 1.00 1.53 H new ATOM 0 HB VAL A 84 -5.854 0.868 0.138 1.00 1.58 H new ATOM 0 HG11 VAL A 84 -5.797 0.370 -2.293 1.00 1.89 H new ATOM 0 HG12 VAL A 84 -6.290 2.054 -1.996 1.00 1.89 H new ATOM 0 HG13 VAL A 84 -4.633 1.695 -2.535 1.00 1.89 H new ATOM 0 HG21 VAL A 84 -4.198 -0.757 -0.745 1.00 1.84 H new ATOM 0 HG22 VAL A 84 -3.031 0.564 -0.985 1.00 1.84 H new ATOM 0 HG23 VAL A 84 -3.547 0.121 0.659 1.00 1.84 H new ATOM 1206 N GLY A 85 -6.714 3.690 0.027 1.00 1.45 N ATOM 1207 CA GLY A 85 -7.879 4.361 0.668 1.00 1.49 C ATOM 1208 C GLY A 85 -8.390 5.480 -0.239 1.00 1.17 C ATOM 1209 O GLY A 85 -8.187 5.463 -1.437 1.00 1.15 O ATOM 0 H GLY A 85 -6.768 3.602 -0.988 1.00 1.45 H new ATOM 0 HA2 GLY A 85 -8.673 3.637 0.851 1.00 1.49 H new ATOM 0 HA3 GLY A 85 -7.589 4.768 1.637 1.00 1.49 H new ATOM 1213 N GLU A 86 -9.051 6.454 0.322 1.00 1.14 N ATOM 1214 CA GLU A 86 -9.573 7.577 -0.506 1.00 1.19 C ATOM 1215 C GLU A 86 -8.523 8.687 -0.581 1.00 1.21 C ATOM 1216 O GLU A 86 -7.414 8.538 -0.107 1.00 1.63 O ATOM 1217 CB GLU A 86 -10.856 8.125 0.122 1.00 1.44 C ATOM 1218 CG GLU A 86 -10.809 7.930 1.639 1.00 1.42 C ATOM 1219 CD GLU A 86 -11.005 6.450 1.973 1.00 1.91 C ATOM 1220 OE1 GLU A 86 -11.183 5.674 1.048 1.00 2.03 O ATOM 1221 OE2 GLU A 86 -10.973 6.117 3.146 1.00 2.54 O ATOM 0 H GLU A 86 -9.253 6.521 1.320 1.00 1.14 H new ATOM 0 HA GLU A 86 -9.790 7.215 -1.511 1.00 1.19 H new ATOM 0 HB2 GLU A 86 -10.966 9.183 -0.116 1.00 1.44 H new ATOM 0 HB3 GLU A 86 -11.724 7.613 -0.294 1.00 1.44 H new ATOM 0 HG2 GLU A 86 -9.853 8.278 2.031 1.00 1.42 H new ATOM 0 HG3 GLU A 86 -11.586 8.527 2.117 1.00 1.42 H new ATOM 1228 N GLY A 87 -8.862 9.799 -1.172 1.00 1.18 N ATOM 1229 CA GLY A 87 -7.883 10.918 -1.276 1.00 1.38 C ATOM 1230 C GLY A 87 -8.629 12.252 -1.256 1.00 1.20 C ATOM 1231 O GLY A 87 -8.251 13.195 -1.923 1.00 1.26 O ATOM 0 H GLY A 87 -9.775 9.982 -1.588 1.00 1.18 H new ATOM 0 HA2 GLY A 87 -7.174 10.873 -0.449 1.00 1.38 H new ATOM 0 HA3 GLY A 87 -7.306 10.826 -2.196 1.00 1.38 H new ATOM 1280 N ARG A 92 -9.580 10.393 5.522 1.00 2.28 N ATOM 1281 CA ARG A 92 -8.592 9.418 6.064 1.00 2.12 C ATOM 1282 C ARG A 92 -8.650 8.122 5.250 1.00 1.84 C ATOM 1283 O ARG A 92 -9.495 7.952 4.394 1.00 2.05 O ATOM 1284 CB ARG A 92 -8.925 9.114 7.526 1.00 2.02 C ATOM 1285 CG ARG A 92 -9.774 10.252 8.104 1.00 2.72 C ATOM 1286 CD ARG A 92 -11.244 10.058 7.721 1.00 3.19 C ATOM 1287 NE ARG A 92 -12.090 9.971 8.952 1.00 4.00 N ATOM 1288 CZ ARG A 92 -11.745 9.216 9.962 1.00 4.78 C ATOM 1289 NH1 ARG A 92 -10.688 8.455 9.890 1.00 4.91 N ATOM 1290 NH2 ARG A 92 -12.477 9.206 11.042 1.00 5.74 N ATOM 0 HA ARG A 92 -7.591 9.844 5.998 1.00 2.12 H new ATOM 0 HB2 ARG A 92 -9.465 8.170 7.598 1.00 2.02 H new ATOM 0 HB3 ARG A 92 -8.007 9.001 8.103 1.00 2.02 H new ATOM 0 HG2 ARG A 92 -9.673 10.277 9.189 1.00 2.72 H new ATOM 0 HG3 ARG A 92 -9.416 11.211 7.729 1.00 2.72 H new ATOM 0 HD2 ARG A 92 -11.578 10.888 7.099 1.00 3.19 H new ATOM 0 HD3 ARG A 92 -11.356 9.150 7.128 1.00 3.19 H new ATOM 0 HE ARG A 92 -12.953 10.512 9.004 1.00 4.00 H new ATOM 0 HH11 ARG A 92 -10.123 8.446 9.041 1.00 4.91 H new ATOM 0 HH12 ARG A 92 -10.426 7.869 10.683 1.00 4.91 H new ATOM 0 HH21 ARG A 92 -13.315 9.786 11.096 1.00 5.74 H new ATOM 0 HH22 ARG A 92 -12.212 8.618 11.832 1.00 5.74 H new ATOM 1304 N THR A 93 -7.756 7.208 5.512 1.00 1.67 N ATOM 1305 CA THR A 93 -7.759 5.923 4.756 1.00 1.74 C ATOM 1306 C THR A 93 -7.887 4.749 5.723 1.00 1.95 C ATOM 1307 O THR A 93 -7.862 4.910 6.927 1.00 2.27 O ATOM 1308 CB THR A 93 -6.451 5.779 3.976 1.00 1.70 C ATOM 1309 OG1 THR A 93 -6.113 4.403 3.890 1.00 2.15 O ATOM 1310 CG2 THR A 93 -5.333 6.529 4.702 1.00 1.74 C ATOM 0 H THR A 93 -7.024 7.295 6.217 1.00 1.67 H new ATOM 0 HA THR A 93 -8.604 5.925 4.067 1.00 1.74 H new ATOM 0 HB THR A 93 -6.574 6.195 2.976 1.00 1.70 H new ATOM 0 HG1 THR A 93 -5.875 4.182 2.965 1.00 2.15 H new ATOM 0 HG21 THR A 93 -4.403 6.424 4.144 1.00 1.74 H new ATOM 0 HG22 THR A 93 -5.593 7.585 4.779 1.00 1.74 H new ATOM 0 HG23 THR A 93 -5.205 6.113 5.701 1.00 1.74 H new ATOM 1318 N ALA A 94 -8.016 3.563 5.196 1.00 2.15 N ATOM 1319 CA ALA A 94 -8.136 2.365 6.070 1.00 2.71 C ATOM 1320 C ALA A 94 -7.082 1.336 5.657 1.00 2.70 C ATOM 1321 O ALA A 94 -6.760 0.432 6.403 1.00 3.18 O ATOM 1322 CB ALA A 94 -9.532 1.757 5.915 1.00 3.28 C ATOM 0 H ALA A 94 -8.043 3.372 4.194 1.00 2.15 H new ATOM 0 HA ALA A 94 -7.981 2.652 7.110 1.00 2.71 H new ATOM 0 HB1 ALA A 94 -9.620 0.879 6.555 1.00 3.28 H new ATOM 0 HB2 ALA A 94 -10.283 2.493 6.203 1.00 3.28 H new ATOM 0 HB3 ALA A 94 -9.689 1.465 4.876 1.00 3.28 H new ATOM 1328 N PHE A 95 -6.539 1.463 4.475 1.00 2.24 N ATOM 1329 CA PHE A 95 -5.508 0.487 4.024 1.00 2.32 C ATOM 1330 C PHE A 95 -4.121 0.996 4.419 1.00 1.89 C ATOM 1331 O PHE A 95 -3.180 0.913 3.654 1.00 2.04 O ATOM 1332 CB PHE A 95 -5.579 0.351 2.504 1.00 2.74 C ATOM 1333 CG PHE A 95 -5.176 -1.046 2.092 1.00 2.97 C ATOM 1334 CD1 PHE A 95 -4.160 -1.720 2.782 1.00 3.34 C ATOM 1335 CD2 PHE A 95 -5.820 -1.666 1.014 1.00 3.27 C ATOM 1336 CE1 PHE A 95 -3.791 -3.013 2.394 1.00 3.65 C ATOM 1337 CE2 PHE A 95 -5.450 -2.959 0.627 1.00 3.55 C ATOM 1338 CZ PHE A 95 -4.436 -3.633 1.317 1.00 3.60 C ATOM 0 H PHE A 95 -6.765 2.198 3.805 1.00 2.24 H new ATOM 0 HA PHE A 95 -5.689 -0.481 4.491 1.00 2.32 H new ATOM 0 HB2 PHE A 95 -6.591 0.564 2.158 1.00 2.74 H new ATOM 0 HB3 PHE A 95 -4.921 1.082 2.034 1.00 2.74 H new ATOM 0 HD1 PHE A 95 -3.662 -1.242 3.613 1.00 3.34 H new ATOM 0 HD2 PHE A 95 -6.602 -1.146 0.481 1.00 3.27 H new ATOM 0 HE1 PHE A 95 -3.008 -3.533 2.926 1.00 3.65 H new ATOM 0 HE2 PHE A 95 -5.947 -3.437 -0.204 1.00 3.55 H new ATOM 0 HZ PHE A 95 -4.151 -4.631 1.019 1.00 3.60 H new ATOM 1348 N GLU A 96 -3.982 1.527 5.602 1.00 1.92 N ATOM 1349 CA GLU A 96 -2.650 2.042 6.028 1.00 2.11 C ATOM 1350 C GLU A 96 -1.798 0.886 6.558 1.00 1.99 C ATOM 1351 O GLU A 96 -1.691 0.677 7.750 1.00 2.04 O ATOM 1352 CB GLU A 96 -2.836 3.087 7.129 1.00 2.46 C ATOM 1353 CG GLU A 96 -1.566 3.931 7.252 1.00 3.05 C ATOM 1354 CD GLU A 96 -1.684 4.861 8.460 1.00 3.87 C ATOM 1355 OE1 GLU A 96 -2.578 4.645 9.264 1.00 4.04 O ATOM 1356 OE2 GLU A 96 -0.881 5.773 8.564 1.00 4.60 O ATOM 0 H GLU A 96 -4.729 1.627 6.289 1.00 1.92 H new ATOM 0 HA GLU A 96 -2.148 2.498 5.175 1.00 2.11 H new ATOM 0 HB2 GLU A 96 -3.689 3.726 6.899 1.00 2.46 H new ATOM 0 HB3 GLU A 96 -3.053 2.596 8.078 1.00 2.46 H new ATOM 0 HG2 GLU A 96 -0.696 3.284 7.362 1.00 3.05 H new ATOM 0 HG3 GLU A 96 -1.416 4.515 6.344 1.00 3.05 H new ATOM 1363 N GLN A 97 -1.187 0.135 5.682 1.00 2.12 N ATOM 1364 CA GLN A 97 -0.341 -1.003 6.134 1.00 2.35 C ATOM 1365 C GLN A 97 1.046 -0.879 5.496 1.00 2.76 C ATOM 1366 O GLN A 97 1.197 -0.968 4.293 1.00 3.44 O ATOM 1367 CB GLN A 97 -1.006 -2.321 5.715 1.00 2.59 C ATOM 1368 CG GLN A 97 0.043 -3.302 5.187 1.00 2.67 C ATOM 1369 CD GLN A 97 -0.552 -4.711 5.139 1.00 2.83 C ATOM 1370 OE1 GLN A 97 -1.614 -4.916 4.586 1.00 2.75 O ATOM 1371 NE2 GLN A 97 0.093 -5.699 5.698 1.00 3.46 N ATOM 0 H GLN A 97 -1.238 0.262 4.671 1.00 2.12 H new ATOM 0 HA GLN A 97 -0.236 -0.988 7.219 1.00 2.35 H new ATOM 0 HB2 GLN A 97 -1.528 -2.759 6.566 1.00 2.59 H new ATOM 0 HB3 GLN A 97 -1.755 -2.130 4.946 1.00 2.59 H new ATOM 0 HG2 GLN A 97 0.370 -3.000 4.192 1.00 2.67 H new ATOM 0 HG3 GLN A 97 0.924 -3.290 5.829 1.00 2.67 H new ATOM 0 HE21 GLN A 97 0.985 -5.528 6.163 1.00 3.46 H new ATOM 0 HE22 GLN A 97 -0.295 -6.642 5.670 1.00 3.46 H new ATOM 1380 N GLY A 98 2.061 -0.670 6.291 1.00 2.66 N ATOM 1381 CA GLY A 98 3.433 -0.536 5.725 1.00 3.12 C ATOM 1382 C GLY A 98 4.251 -1.789 6.046 1.00 2.94 C ATOM 1383 O GLY A 98 5.465 -1.764 6.047 1.00 3.67 O ATOM 0 H GLY A 98 1.999 -0.587 7.306 1.00 2.66 H new ATOM 0 HA2 GLY A 98 3.379 -0.393 4.646 1.00 3.12 H new ATOM 0 HA3 GLY A 98 3.923 0.345 6.139 1.00 3.12 H new ATOM 1387 N SER A 99 3.597 -2.885 6.318 1.00 2.31 N ATOM 1388 CA SER A 99 4.341 -4.134 6.638 1.00 2.54 C ATOM 1389 C SER A 99 4.176 -5.136 5.492 1.00 2.05 C ATOM 1390 O SER A 99 3.252 -5.926 5.475 1.00 1.87 O ATOM 1391 CB SER A 99 3.780 -4.737 7.926 1.00 3.04 C ATOM 1392 OG SER A 99 4.497 -4.219 9.038 1.00 3.79 O ATOM 0 H SER A 99 2.581 -2.969 6.332 1.00 2.31 H new ATOM 0 HA SER A 99 5.399 -3.906 6.769 1.00 2.54 H new ATOM 0 HB2 SER A 99 2.720 -4.501 8.020 1.00 3.04 H new ATOM 0 HB3 SER A 99 3.863 -5.823 7.899 1.00 3.04 H new ATOM 0 HG SER A 99 4.139 -4.602 9.866 1.00 3.79 H new ATOM 1398 N ALA A 100 5.064 -5.113 4.535 1.00 1.96 N ATOM 1399 CA ALA A 100 4.950 -6.067 3.396 1.00 1.63 C ATOM 1400 C ALA A 100 6.279 -6.805 3.210 1.00 1.41 C ATOM 1401 O ALA A 100 7.123 -6.398 2.436 1.00 1.39 O ATOM 1402 CB ALA A 100 4.608 -5.296 2.118 1.00 1.76 C ATOM 0 H ALA A 100 5.860 -4.477 4.493 1.00 1.96 H new ATOM 0 HA ALA A 100 4.162 -6.790 3.606 1.00 1.63 H new ATOM 0 HB1 ALA A 100 4.524 -5.993 1.284 1.00 1.76 H new ATOM 0 HB2 ALA A 100 3.661 -4.774 2.251 1.00 1.76 H new ATOM 0 HB3 ALA A 100 5.395 -4.572 1.908 1.00 1.76 H new ATOM 1408 N PRO A 101 6.455 -7.886 3.919 1.00 1.67 N ATOM 1409 CA PRO A 101 7.696 -8.712 3.846 1.00 1.70 C ATOM 1410 C PRO A 101 7.966 -9.236 2.432 1.00 1.06 C ATOM 1411 O PRO A 101 7.177 -9.972 1.872 1.00 1.45 O ATOM 1412 CB PRO A 101 7.428 -9.882 4.800 1.00 2.69 C ATOM 1413 CG PRO A 101 6.304 -9.445 5.680 1.00 2.97 C ATOM 1414 CD PRO A 101 5.484 -8.439 4.874 1.00 2.35 C ATOM 0 HA PRO A 101 8.576 -8.127 4.113 1.00 1.70 H new ATOM 0 HB2 PRO A 101 7.163 -10.783 4.247 1.00 2.69 H new ATOM 0 HB3 PRO A 101 8.315 -10.117 5.388 1.00 2.69 H new ATOM 0 HG2 PRO A 101 5.691 -10.296 5.976 1.00 2.97 H new ATOM 0 HG3 PRO A 101 6.683 -8.991 6.596 1.00 2.97 H new ATOM 0 HD2 PRO A 101 4.649 -8.920 4.364 1.00 2.35 H new ATOM 0 HD3 PRO A 101 5.063 -7.662 5.512 1.00 2.35 H new ATOM 1422 N LEU A 102 9.076 -8.868 1.853 1.00 0.99 N ATOM 1423 CA LEU A 102 9.397 -9.350 0.480 1.00 1.10 C ATOM 1424 C LEU A 102 10.720 -10.119 0.509 1.00 0.93 C ATOM 1425 O LEU A 102 11.447 -10.084 1.481 1.00 1.33 O ATOM 1426 CB LEU A 102 9.523 -8.157 -0.471 1.00 2.00 C ATOM 1427 CG LEU A 102 8.160 -7.850 -1.095 1.00 2.39 C ATOM 1428 CD1 LEU A 102 8.279 -6.625 -2.002 1.00 3.06 C ATOM 1429 CD2 LEU A 102 7.697 -9.051 -1.925 1.00 2.31 C ATOM 0 H LEU A 102 9.775 -8.254 2.272 1.00 0.99 H new ATOM 0 HA LEU A 102 8.599 -10.005 0.132 1.00 1.10 H new ATOM 0 HB2 LEU A 102 9.891 -7.285 0.070 1.00 2.00 H new ATOM 0 HB3 LEU A 102 10.250 -8.377 -1.252 1.00 2.00 H new ATOM 0 HG LEU A 102 7.436 -7.651 -0.305 1.00 2.39 H new ATOM 0 HD11 LEU A 102 7.308 -6.406 -2.447 1.00 3.06 H new ATOM 0 HD12 LEU A 102 8.611 -5.769 -1.415 1.00 3.06 H new ATOM 0 HD13 LEU A 102 9.003 -6.826 -2.792 1.00 3.06 H new ATOM 0 HD21 LEU A 102 6.726 -8.833 -2.370 1.00 2.31 H new ATOM 0 HD22 LEU A 102 8.422 -9.249 -2.715 1.00 2.31 H new ATOM 0 HD23 LEU A 102 7.613 -9.927 -1.282 1.00 2.31 H new ATOM 1441 N THR A 103 11.038 -10.815 -0.549 1.00 1.21 N ATOM 1442 CA THR A 103 12.313 -11.585 -0.579 1.00 1.09 C ATOM 1443 C THR A 103 13.156 -11.134 -1.774 1.00 1.38 C ATOM 1444 O THR A 103 12.783 -10.240 -2.507 1.00 1.81 O ATOM 1445 CB THR A 103 12.004 -13.079 -0.707 1.00 1.79 C ATOM 1446 OG1 THR A 103 13.142 -13.752 -1.227 1.00 2.04 O ATOM 1447 CG2 THR A 103 10.816 -13.277 -1.651 1.00 2.34 C ATOM 0 H THR A 103 10.470 -10.883 -1.393 1.00 1.21 H new ATOM 0 HA THR A 103 12.866 -11.406 0.343 1.00 1.09 H new ATOM 0 HB THR A 103 11.757 -13.485 0.274 1.00 1.79 H new ATOM 0 HG1 THR A 103 12.947 -14.709 -1.308 1.00 2.04 H new ATOM 0 HG21 THR A 103 10.597 -14.341 -1.742 1.00 2.34 H new ATOM 0 HG22 THR A 103 9.944 -12.759 -1.252 1.00 2.34 H new ATOM 0 HG23 THR A 103 11.060 -12.872 -2.633 1.00 2.34 H new ATOM 1455 N GLY A 104 14.291 -11.745 -1.974 1.00 1.62 N ATOM 1456 CA GLY A 104 15.159 -11.352 -3.121 1.00 2.17 C ATOM 1457 C GLY A 104 14.816 -12.211 -4.339 1.00 1.60 C ATOM 1458 O GLY A 104 15.652 -12.912 -4.873 1.00 1.83 O ATOM 0 H GLY A 104 14.656 -12.500 -1.393 1.00 1.62 H new ATOM 0 HA2 GLY A 104 15.015 -10.297 -3.355 1.00 2.17 H new ATOM 0 HA3 GLY A 104 16.209 -11.480 -2.857 1.00 2.17 H new ATOM 1462 N GLU A 105 13.590 -12.161 -4.784 1.00 1.22 N ATOM 1463 CA GLU A 105 13.193 -12.974 -5.967 1.00 1.09 C ATOM 1464 C GLU A 105 11.776 -12.577 -6.399 1.00 1.06 C ATOM 1465 O GLU A 105 10.878 -12.497 -5.583 1.00 1.08 O ATOM 1466 CB GLU A 105 13.221 -14.459 -5.590 1.00 1.40 C ATOM 1467 CG GLU A 105 12.195 -15.228 -6.426 1.00 1.95 C ATOM 1468 CD GLU A 105 12.379 -16.731 -6.202 1.00 2.43 C ATOM 1469 OE1 GLU A 105 13.471 -17.216 -6.445 1.00 3.02 O ATOM 1470 OE2 GLU A 105 11.424 -17.370 -5.792 1.00 2.75 O ATOM 0 H GLU A 105 12.847 -11.592 -4.379 1.00 1.22 H new ATOM 0 HA GLU A 105 13.886 -12.796 -6.789 1.00 1.09 H new ATOM 0 HB2 GLU A 105 14.218 -14.867 -5.757 1.00 1.40 H new ATOM 0 HB3 GLU A 105 13.001 -14.578 -4.529 1.00 1.40 H new ATOM 0 HG2 GLU A 105 11.185 -14.929 -6.147 1.00 1.95 H new ATOM 0 HG3 GLU A 105 12.318 -14.989 -7.482 1.00 1.95 H new ATOM 1477 N PRO A 106 11.571 -12.331 -7.668 1.00 1.08 N ATOM 1478 CA PRO A 106 10.238 -11.938 -8.201 1.00 1.12 C ATOM 1479 C PRO A 106 9.102 -12.741 -7.562 1.00 1.24 C ATOM 1480 O PRO A 106 9.081 -13.955 -7.611 1.00 1.42 O ATOM 1481 CB PRO A 106 10.347 -12.254 -9.692 1.00 1.26 C ATOM 1482 CG PRO A 106 11.797 -12.110 -10.021 1.00 1.20 C ATOM 1483 CD PRO A 106 12.582 -12.399 -8.736 1.00 1.13 C ATOM 0 HA PRO A 106 10.002 -10.895 -7.991 1.00 1.12 H new ATOM 0 HB2 PRO A 106 9.993 -13.262 -9.907 1.00 1.26 H new ATOM 0 HB3 PRO A 106 9.740 -11.570 -10.284 1.00 1.26 H new ATOM 0 HG2 PRO A 106 12.083 -12.804 -10.811 1.00 1.20 H new ATOM 0 HG3 PRO A 106 12.011 -11.105 -10.386 1.00 1.20 H new ATOM 0 HD2 PRO A 106 13.057 -13.379 -8.772 1.00 1.13 H new ATOM 0 HD3 PRO A 106 13.374 -11.667 -8.581 1.00 1.13 H new ATOM 1491 N ALA A 107 8.157 -12.072 -6.957 1.00 1.17 N ATOM 1492 CA ALA A 107 7.027 -12.800 -6.314 1.00 1.31 C ATOM 1493 C ALA A 107 5.880 -11.826 -6.040 1.00 1.24 C ATOM 1494 O ALA A 107 6.092 -10.665 -5.746 1.00 1.04 O ATOM 1495 CB ALA A 107 7.501 -13.412 -4.994 1.00 1.37 C ATOM 0 H ALA A 107 8.119 -11.056 -6.881 1.00 1.17 H new ATOM 0 HA ALA A 107 6.680 -13.591 -6.979 1.00 1.31 H new ATOM 0 HB1 ALA A 107 6.675 -13.945 -4.523 1.00 1.37 H new ATOM 0 HB2 ALA A 107 8.318 -14.107 -5.188 1.00 1.37 H new ATOM 0 HB3 ALA A 107 7.848 -12.620 -4.330 1.00 1.37 H new ATOM 1501 N THR A 108 4.664 -12.290 -6.137 1.00 1.45 N ATOM 1502 CA THR A 108 3.501 -11.394 -5.883 1.00 1.43 C ATOM 1503 C THR A 108 3.103 -11.449 -4.410 1.00 1.38 C ATOM 1504 O THR A 108 3.250 -12.460 -3.751 1.00 1.47 O ATOM 1505 CB THR A 108 2.310 -11.843 -6.731 1.00 1.60 C ATOM 1506 OG1 THR A 108 2.400 -13.240 -6.968 1.00 1.72 O ATOM 1507 CG2 THR A 108 2.321 -11.097 -8.062 1.00 1.66 C ATOM 0 H THR A 108 4.426 -13.251 -6.381 1.00 1.45 H new ATOM 0 HA THR A 108 3.784 -10.375 -6.146 1.00 1.43 H new ATOM 0 HB THR A 108 1.383 -11.623 -6.202 1.00 1.60 H new ATOM 0 HG1 THR A 108 3.010 -13.406 -7.717 1.00 1.72 H new ATOM 0 HG21 THR A 108 1.472 -11.418 -8.666 1.00 1.66 H new ATOM 0 HG22 THR A 108 2.252 -10.025 -7.879 1.00 1.66 H new ATOM 0 HG23 THR A 108 3.247 -11.315 -8.594 1.00 1.66 H new ATOM 1515 N ARG A 109 2.566 -10.377 -3.900 1.00 1.33 N ATOM 1516 CA ARG A 109 2.117 -10.370 -2.483 1.00 1.32 C ATOM 1517 C ARG A 109 0.660 -9.919 -2.469 1.00 1.37 C ATOM 1518 O ARG A 109 0.222 -9.205 -3.349 1.00 1.49 O ATOM 1519 CB ARG A 109 2.968 -9.406 -1.658 1.00 1.27 C ATOM 1520 CG ARG A 109 3.690 -10.178 -0.553 1.00 1.97 C ATOM 1521 CD ARG A 109 2.669 -10.947 0.287 1.00 2.63 C ATOM 1522 NE ARG A 109 2.987 -10.780 1.732 1.00 3.48 N ATOM 1523 CZ ARG A 109 2.099 -11.091 2.637 1.00 3.74 C ATOM 1524 NH1 ARG A 109 0.932 -11.548 2.275 1.00 3.39 N ATOM 1525 NH2 ARG A 109 2.378 -10.943 3.903 1.00 4.70 N ATOM 0 H ARG A 109 2.419 -9.504 -4.406 1.00 1.33 H new ATOM 0 HA ARG A 109 2.221 -11.364 -2.047 1.00 1.32 H new ATOM 0 HB2 ARG A 109 3.693 -8.905 -2.299 1.00 1.27 H new ATOM 0 HB3 ARG A 109 2.338 -8.630 -1.222 1.00 1.27 H new ATOM 0 HG2 ARG A 109 4.411 -10.869 -0.990 1.00 1.97 H new ATOM 0 HG3 ARG A 109 4.251 -9.489 0.079 1.00 1.97 H new ATOM 0 HD2 ARG A 109 1.663 -10.581 0.081 1.00 2.63 H new ATOM 0 HD3 ARG A 109 2.685 -12.004 0.020 1.00 2.63 H new ATOM 0 HE ARG A 109 3.899 -10.422 2.015 1.00 3.48 H new ATOM 0 HH11 ARG A 109 0.714 -11.662 1.285 1.00 3.39 H new ATOM 0 HH12 ARG A 109 0.238 -11.791 2.982 1.00 3.39 H new ATOM 0 HH21 ARG A 109 3.290 -10.584 4.186 1.00 4.70 H new ATOM 0 HH22 ARG A 109 1.684 -11.186 4.610 1.00 4.70 H new ATOM 1539 N GLU A 110 -0.097 -10.336 -1.497 1.00 1.37 N ATOM 1540 CA GLU A 110 -1.531 -9.938 -1.466 1.00 1.51 C ATOM 1541 C GLU A 110 -1.877 -9.268 -0.137 1.00 1.50 C ATOM 1542 O GLU A 110 -1.213 -9.452 0.864 1.00 1.45 O ATOM 1543 CB GLU A 110 -2.405 -11.181 -1.646 1.00 1.79 C ATOM 1544 CG GLU A 110 -1.869 -12.016 -2.812 1.00 2.12 C ATOM 1545 CD GLU A 110 -0.690 -12.865 -2.333 1.00 2.63 C ATOM 1546 OE1 GLU A 110 -0.670 -13.209 -1.163 1.00 3.28 O ATOM 1547 OE2 GLU A 110 0.174 -13.155 -3.143 1.00 2.69 O ATOM 0 H GLU A 110 0.210 -10.931 -0.727 1.00 1.37 H new ATOM 0 HA GLU A 110 -1.714 -9.230 -2.274 1.00 1.51 H new ATOM 0 HB2 GLU A 110 -2.407 -11.773 -0.731 1.00 1.79 H new ATOM 0 HB3 GLU A 110 -3.437 -10.888 -1.838 1.00 1.79 H new ATOM 0 HG2 GLU A 110 -2.657 -12.658 -3.206 1.00 2.12 H new ATOM 0 HG3 GLU A 110 -1.554 -11.363 -3.626 1.00 2.12 H new ATOM 1554 N TYR A 111 -2.930 -8.498 -0.131 1.00 1.66 N ATOM 1555 CA TYR A 111 -3.358 -7.809 1.116 1.00 1.81 C ATOM 1556 C TYR A 111 -4.824 -7.400 0.965 1.00 2.14 C ATOM 1557 O TYR A 111 -5.147 -6.451 0.278 1.00 2.42 O ATOM 1558 CB TYR A 111 -2.496 -6.566 1.343 1.00 1.87 C ATOM 1559 CG TYR A 111 -1.073 -6.980 1.637 1.00 1.94 C ATOM 1560 CD1 TYR A 111 -0.795 -7.833 2.713 1.00 2.76 C ATOM 1561 CD2 TYR A 111 -0.031 -6.509 0.831 1.00 1.82 C ATOM 1562 CE1 TYR A 111 0.525 -8.214 2.981 1.00 2.96 C ATOM 1563 CE2 TYR A 111 1.289 -6.889 1.099 1.00 2.00 C ATOM 1564 CZ TYR A 111 1.566 -7.743 2.173 1.00 2.36 C ATOM 1565 OH TYR A 111 2.867 -8.120 2.436 1.00 2.67 O ATOM 0 H TYR A 111 -3.517 -8.316 -0.945 1.00 1.66 H new ATOM 0 HA TYR A 111 -3.242 -8.477 1.970 1.00 1.81 H new ATOM 0 HB2 TYR A 111 -2.524 -5.926 0.461 1.00 1.87 H new ATOM 0 HB3 TYR A 111 -2.894 -5.982 2.173 1.00 1.87 H new ATOM 0 HD1 TYR A 111 -1.599 -8.197 3.336 1.00 2.76 H new ATOM 0 HD2 TYR A 111 -0.245 -5.852 0.001 1.00 1.82 H new ATOM 0 HE1 TYR A 111 0.740 -8.871 3.811 1.00 2.96 H new ATOM 0 HE2 TYR A 111 2.093 -6.524 0.478 1.00 2.00 H new ATOM 0 HH TYR A 111 3.431 -7.912 1.662 1.00 2.67 H new ATOM 1575 N ALA A 112 -5.716 -8.120 1.586 1.00 2.33 N ATOM 1576 CA ALA A 112 -7.160 -7.783 1.464 1.00 2.71 C ATOM 1577 C ALA A 112 -7.703 -7.329 2.819 1.00 2.50 C ATOM 1578 O ALA A 112 -7.053 -7.458 3.837 1.00 2.65 O ATOM 1579 CB ALA A 112 -7.931 -9.019 0.999 1.00 3.41 C ATOM 0 H ALA A 112 -5.507 -8.928 2.173 1.00 2.33 H new ATOM 0 HA ALA A 112 -7.281 -6.978 0.739 1.00 2.71 H new ATOM 0 HB1 ALA A 112 -8.989 -8.775 0.909 1.00 3.41 H new ATOM 0 HB2 ALA A 112 -7.549 -9.343 0.031 1.00 3.41 H new ATOM 0 HB3 ALA A 112 -7.804 -9.822 1.726 1.00 3.41 H new ATOM 1585 N PHE A 113 -8.896 -6.801 2.839 1.00 2.28 N ATOM 1586 CA PHE A 113 -9.484 -6.344 4.129 1.00 2.20 C ATOM 1587 C PHE A 113 -10.901 -5.825 3.898 1.00 1.67 C ATOM 1588 O PHE A 113 -11.444 -5.925 2.816 1.00 1.59 O ATOM 1589 CB PHE A 113 -8.633 -5.219 4.721 1.00 2.57 C ATOM 1590 CG PHE A 113 -8.711 -4.003 3.829 1.00 2.45 C ATOM 1591 CD1 PHE A 113 -8.211 -4.058 2.522 1.00 2.38 C ATOM 1592 CD2 PHE A 113 -9.286 -2.819 4.309 1.00 2.65 C ATOM 1593 CE1 PHE A 113 -8.285 -2.930 1.697 1.00 2.44 C ATOM 1594 CE2 PHE A 113 -9.360 -1.692 3.483 1.00 2.77 C ATOM 1595 CZ PHE A 113 -8.860 -1.747 2.177 1.00 2.64 C ATOM 0 H PHE A 113 -9.488 -6.667 2.019 1.00 2.28 H new ATOM 0 HA PHE A 113 -9.509 -7.187 4.820 1.00 2.20 H new ATOM 0 HB2 PHE A 113 -8.985 -4.971 5.722 1.00 2.57 H new ATOM 0 HB3 PHE A 113 -7.598 -5.545 4.819 1.00 2.57 H new ATOM 0 HD1 PHE A 113 -7.768 -4.971 2.151 1.00 2.38 H new ATOM 0 HD2 PHE A 113 -9.672 -2.776 5.317 1.00 2.65 H new ATOM 0 HE1 PHE A 113 -7.898 -2.972 0.689 1.00 2.44 H new ATOM 0 HE2 PHE A 113 -9.803 -0.779 3.853 1.00 2.77 H new ATOM 0 HZ PHE A 113 -8.918 -0.877 1.540 1.00 2.64 H new ATOM 1605 N THR A 114 -11.501 -5.268 4.913 1.00 1.53 N ATOM 1606 CA THR A 114 -12.884 -4.737 4.770 1.00 1.47 C ATOM 1607 C THR A 114 -12.886 -3.236 5.068 1.00 1.85 C ATOM 1608 O THR A 114 -12.081 -2.746 5.834 1.00 2.23 O ATOM 1609 CB THR A 114 -13.799 -5.456 5.760 1.00 1.92 C ATOM 1610 OG1 THR A 114 -13.046 -5.845 6.900 1.00 2.12 O ATOM 1611 CG2 THR A 114 -14.402 -6.696 5.098 1.00 2.22 C ATOM 0 H THR A 114 -11.090 -5.158 5.840 1.00 1.53 H new ATOM 0 HA THR A 114 -13.240 -4.903 3.753 1.00 1.47 H new ATOM 0 HB THR A 114 -14.602 -4.785 6.064 1.00 1.92 H new ATOM 0 HG1 THR A 114 -13.631 -6.305 7.537 1.00 2.12 H new ATOM 0 HG21 THR A 114 -15.054 -7.206 5.807 1.00 2.22 H new ATOM 0 HG22 THR A 114 -14.980 -6.397 4.224 1.00 2.22 H new ATOM 0 HG23 THR A 114 -13.602 -7.370 4.791 1.00 2.22 H new ATOM 1619 N SER A 115 -13.785 -2.502 4.470 1.00 2.24 N ATOM 1620 CA SER A 115 -13.830 -1.036 4.724 1.00 2.93 C ATOM 1621 C SER A 115 -14.756 -0.742 5.905 1.00 3.67 C ATOM 1622 O SER A 115 -15.472 -1.604 6.375 1.00 4.11 O ATOM 1623 CB SER A 115 -14.341 -0.312 3.478 1.00 3.21 C ATOM 1624 OG SER A 115 -14.839 -1.266 2.548 1.00 4.06 O ATOM 0 H SER A 115 -14.487 -2.854 3.819 1.00 2.24 H new ATOM 0 HA SER A 115 -12.826 -0.684 4.960 1.00 2.93 H new ATOM 0 HB2 SER A 115 -15.127 0.392 3.750 1.00 3.21 H new ATOM 0 HB3 SER A 115 -13.537 0.268 3.025 1.00 3.21 H new ATOM 0 HG SER A 115 -14.109 -1.852 2.258 1.00 4.06 H new ATOM 1630 N ASN A 116 -14.749 0.470 6.388 1.00 3.92 N ATOM 1631 CA ASN A 116 -15.630 0.823 7.535 1.00 4.70 C ATOM 1632 C ASN A 116 -16.497 2.025 7.155 1.00 4.40 C ATOM 1633 O ASN A 116 -17.527 2.275 7.750 1.00 4.82 O ATOM 1634 CB ASN A 116 -14.769 1.178 8.750 1.00 5.27 C ATOM 1635 CG ASN A 116 -14.148 -0.097 9.325 1.00 6.19 C ATOM 1636 OD1 ASN A 116 -13.111 -0.540 8.872 1.00 6.51 O ATOM 1637 ND2 ASN A 116 -14.742 -0.708 10.313 1.00 6.86 N ATOM 0 H ASN A 116 -14.170 1.232 6.036 1.00 3.92 H new ATOM 0 HA ASN A 116 -16.269 -0.026 7.780 1.00 4.70 H new ATOM 0 HB2 ASN A 116 -13.986 1.879 8.462 1.00 5.27 H new ATOM 0 HB3 ASN A 116 -15.377 1.673 9.508 1.00 5.27 H new ATOM 0 HD21 ASN A 116 -14.336 -1.558 10.705 1.00 6.86 H new ATOM 0 HD22 ASN A 116 -15.612 -0.336 10.693 1.00 6.86 H new ATOM 1644 N LEU A 117 -16.087 2.769 6.165 1.00 3.81 N ATOM 1645 CA LEU A 117 -16.884 3.954 5.740 1.00 3.59 C ATOM 1646 C LEU A 117 -17.126 3.886 4.230 1.00 3.13 C ATOM 1647 O LEU A 117 -16.561 3.061 3.539 1.00 3.28 O ATOM 1648 CB LEU A 117 -16.117 5.233 6.078 1.00 3.83 C ATOM 1649 CG LEU A 117 -16.963 6.451 5.705 1.00 4.66 C ATOM 1650 CD1 LEU A 117 -16.707 7.577 6.708 1.00 5.12 C ATOM 1651 CD2 LEU A 117 -16.581 6.927 4.301 1.00 4.76 C ATOM 0 H LEU A 117 -15.233 2.607 5.631 1.00 3.81 H new ATOM 0 HA LEU A 117 -17.840 3.958 6.263 1.00 3.59 H new ATOM 0 HB2 LEU A 117 -15.878 5.255 7.141 1.00 3.83 H new ATOM 0 HB3 LEU A 117 -15.171 5.255 5.538 1.00 3.83 H new ATOM 0 HG LEU A 117 -18.018 6.178 5.724 1.00 4.66 H new ATOM 0 HD11 LEU A 117 -17.310 8.445 6.442 1.00 5.12 H new ATOM 0 HD12 LEU A 117 -16.977 7.241 7.709 1.00 5.12 H new ATOM 0 HD13 LEU A 117 -15.652 7.849 6.689 1.00 5.12 H new ATOM 0 HD21 LEU A 117 -17.184 7.795 4.035 1.00 4.76 H new ATOM 0 HD22 LEU A 117 -15.526 7.199 4.284 1.00 4.76 H new ATOM 0 HD23 LEU A 117 -16.761 6.126 3.584 1.00 4.76 H new ATOM 1663 N THR A 118 -17.960 4.744 3.711 1.00 3.12 N ATOM 1664 CA THR A 118 -18.235 4.723 2.248 1.00 3.08 C ATOM 1665 C THR A 118 -17.240 5.635 1.527 1.00 3.13 C ATOM 1666 O THR A 118 -17.317 6.844 1.611 1.00 3.70 O ATOM 1667 CB THR A 118 -19.659 5.218 1.991 1.00 3.62 C ATOM 1668 OG1 THR A 118 -20.025 6.147 3.002 1.00 4.06 O ATOM 1669 CG2 THR A 118 -20.626 4.032 2.011 1.00 4.04 C ATOM 0 H THR A 118 -18.463 5.459 4.237 1.00 3.12 H new ATOM 0 HA THR A 118 -18.130 3.705 1.873 1.00 3.08 H new ATOM 0 HB THR A 118 -19.705 5.704 1.016 1.00 3.62 H new ATOM 0 HG1 THR A 118 -20.937 6.467 2.838 1.00 4.06 H new ATOM 0 HG21 THR A 118 -21.640 4.386 1.828 1.00 4.04 H new ATOM 0 HG22 THR A 118 -20.345 3.320 1.235 1.00 4.04 H new ATOM 0 HG23 THR A 118 -20.583 3.544 2.985 1.00 4.04 H new ATOM 1677 N PHE A 119 -16.306 5.063 0.816 1.00 2.76 N ATOM 1678 CA PHE A 119 -15.309 5.897 0.087 1.00 3.07 C ATOM 1679 C PHE A 119 -15.447 5.659 -1.418 1.00 2.72 C ATOM 1680 O PHE A 119 -14.647 4.971 -2.020 1.00 2.65 O ATOM 1681 CB PHE A 119 -13.897 5.509 0.532 1.00 3.53 C ATOM 1682 CG PHE A 119 -13.659 5.981 1.947 1.00 4.12 C ATOM 1683 CD1 PHE A 119 -13.761 7.343 2.259 1.00 4.69 C ATOM 1684 CD2 PHE A 119 -13.333 5.057 2.946 1.00 4.47 C ATOM 1685 CE1 PHE A 119 -13.537 7.779 3.571 1.00 5.33 C ATOM 1686 CE2 PHE A 119 -13.108 5.493 4.257 1.00 5.10 C ATOM 1687 CZ PHE A 119 -13.211 6.853 4.570 1.00 5.44 C ATOM 0 H PHE A 119 -16.191 4.055 0.709 1.00 2.76 H new ATOM 0 HA PHE A 119 -15.487 6.949 0.308 1.00 3.07 H new ATOM 0 HB2 PHE A 119 -13.772 4.428 0.474 1.00 3.53 H new ATOM 0 HB3 PHE A 119 -13.160 5.952 -0.138 1.00 3.53 H new ATOM 0 HD1 PHE A 119 -14.012 8.056 1.488 1.00 4.69 H new ATOM 0 HD2 PHE A 119 -13.255 4.007 2.705 1.00 4.47 H new ATOM 0 HE1 PHE A 119 -13.616 8.829 3.812 1.00 5.33 H new ATOM 0 HE2 PHE A 119 -12.855 4.779 5.027 1.00 5.10 H new ATOM 0 HZ PHE A 119 -13.039 7.189 5.582 1.00 5.44 H new ATOM 1697 N PRO A 120 -16.460 6.224 -2.018 1.00 2.96 N ATOM 1698 CA PRO A 120 -16.716 6.074 -3.478 1.00 2.86 C ATOM 1699 C PRO A 120 -15.778 6.941 -4.324 1.00 3.02 C ATOM 1700 O PRO A 120 -15.159 7.862 -3.831 1.00 3.70 O ATOM 1701 CB PRO A 120 -18.164 6.541 -3.637 1.00 3.40 C ATOM 1702 CG PRO A 120 -18.401 7.490 -2.509 1.00 4.04 C ATOM 1703 CD PRO A 120 -17.474 7.068 -1.366 1.00 3.80 C ATOM 0 HA PRO A 120 -16.545 5.053 -3.818 1.00 2.86 H new ATOM 0 HB2 PRO A 120 -18.316 7.029 -4.600 1.00 3.40 H new ATOM 0 HB3 PRO A 120 -18.855 5.699 -3.594 1.00 3.40 H new ATOM 0 HG2 PRO A 120 -18.192 8.515 -2.817 1.00 4.04 H new ATOM 0 HG3 PRO A 120 -19.443 7.459 -2.192 1.00 4.04 H new ATOM 0 HD2 PRO A 120 -17.021 7.932 -0.881 1.00 3.80 H new ATOM 0 HD3 PRO A 120 -18.015 6.518 -0.596 1.00 3.80 H new ATOM 1711 N PRO A 121 -15.680 6.646 -5.593 1.00 2.87 N ATOM 1712 CA PRO A 121 -14.810 7.405 -6.534 1.00 3.45 C ATOM 1713 C PRO A 121 -15.466 8.709 -6.995 1.00 3.18 C ATOM 1714 O PRO A 121 -14.831 9.567 -7.576 1.00 3.79 O ATOM 1715 CB PRO A 121 -14.650 6.449 -7.715 1.00 3.90 C ATOM 1716 CG PRO A 121 -15.894 5.623 -7.721 1.00 3.47 C ATOM 1717 CD PRO A 121 -16.391 5.551 -6.275 1.00 2.74 C ATOM 0 HA PRO A 121 -13.867 7.700 -6.074 1.00 3.45 H new ATOM 0 HB2 PRO A 121 -14.536 6.995 -8.651 1.00 3.90 H new ATOM 0 HB3 PRO A 121 -13.764 5.825 -7.599 1.00 3.90 H new ATOM 0 HG2 PRO A 121 -16.650 6.069 -8.367 1.00 3.47 H new ATOM 0 HG3 PRO A 121 -15.692 4.625 -8.109 1.00 3.47 H new ATOM 0 HD2 PRO A 121 -17.472 5.682 -6.218 1.00 2.74 H new ATOM 0 HD3 PRO A 121 -16.163 4.586 -5.823 1.00 2.74 H new ATOM 1725 N ASP A 122 -16.736 8.861 -6.744 1.00 2.63 N ATOM 1726 CA ASP A 122 -17.435 10.105 -7.172 1.00 2.65 C ATOM 1727 C ASP A 122 -17.780 10.946 -5.941 1.00 2.94 C ATOM 1728 O ASP A 122 -18.349 10.460 -4.983 1.00 3.74 O ATOM 1729 CB ASP A 122 -18.722 9.736 -7.914 1.00 2.79 C ATOM 1730 CG ASP A 122 -19.726 9.135 -6.928 1.00 3.42 C ATOM 1731 OD1 ASP A 122 -20.353 9.898 -6.212 1.00 4.14 O ATOM 1732 OD2 ASP A 122 -19.849 7.922 -6.906 1.00 3.56 O ATOM 0 H ASP A 122 -17.320 8.178 -6.261 1.00 2.63 H new ATOM 0 HA ASP A 122 -16.785 10.678 -7.833 1.00 2.65 H new ATOM 0 HB2 ASP A 122 -19.147 10.621 -8.388 1.00 2.79 H new ATOM 0 HB3 ASP A 122 -18.504 9.022 -8.708 1.00 2.79 H new ATOM 1737 N GLY A 123 -17.435 12.205 -5.959 1.00 2.81 N ATOM 1738 CA GLY A 123 -17.739 13.078 -4.790 1.00 3.57 C ATOM 1739 C GLY A 123 -16.457 13.770 -4.325 1.00 3.16 C ATOM 1740 O GLY A 123 -16.327 14.975 -4.401 1.00 3.47 O ATOM 0 H GLY A 123 -16.956 12.666 -6.732 1.00 2.81 H new ATOM 0 HA2 GLY A 123 -18.488 13.821 -5.063 1.00 3.57 H new ATOM 0 HA3 GLY A 123 -18.160 12.484 -3.978 1.00 3.57 H new ATOM 1744 N ASP A 124 -15.507 13.015 -3.844 1.00 2.78 N ATOM 1745 CA ASP A 124 -14.233 13.630 -3.374 1.00 2.58 C ATOM 1746 C ASP A 124 -13.232 12.527 -3.028 1.00 2.15 C ATOM 1747 O ASP A 124 -12.609 12.546 -1.985 1.00 2.31 O ATOM 1748 CB ASP A 124 -14.509 14.477 -2.131 1.00 3.01 C ATOM 1749 CG ASP A 124 -13.802 15.827 -2.264 1.00 3.26 C ATOM 1750 OD1 ASP A 124 -12.584 15.845 -2.195 1.00 3.51 O ATOM 1751 OD2 ASP A 124 -14.491 16.820 -2.432 1.00 3.59 O ATOM 0 H ASP A 124 -15.558 12.000 -3.756 1.00 2.78 H new ATOM 0 HA ASP A 124 -13.819 14.261 -4.161 1.00 2.58 H new ATOM 0 HB2 ASP A 124 -15.582 14.627 -2.011 1.00 3.01 H new ATOM 0 HB3 ASP A 124 -14.158 13.958 -1.239 1.00 3.01 H new ATOM 1756 N ALA A 125 -13.071 11.564 -3.894 1.00 1.83 N ATOM 1757 CA ALA A 125 -12.109 10.461 -3.610 1.00 1.67 C ATOM 1758 C ALA A 125 -12.110 9.466 -4.775 1.00 1.39 C ATOM 1759 O ALA A 125 -12.387 8.297 -4.599 1.00 1.38 O ATOM 1760 CB ALA A 125 -12.527 9.742 -2.326 1.00 2.08 C ATOM 0 H ALA A 125 -13.563 11.493 -4.785 1.00 1.83 H new ATOM 0 HA ALA A 125 -11.108 10.874 -3.488 1.00 1.67 H new ATOM 0 HB1 ALA A 125 -11.825 8.935 -2.116 1.00 2.08 H new ATOM 0 HB2 ALA A 125 -12.526 10.449 -1.496 1.00 2.08 H new ATOM 0 HB3 ALA A 125 -13.528 9.329 -2.450 1.00 2.08 H new ATOM 1766 N PRO A 126 -11.798 9.931 -5.955 1.00 1.26 N ATOM 1767 CA PRO A 126 -11.753 9.081 -7.180 1.00 1.14 C ATOM 1768 C PRO A 126 -10.968 7.788 -6.954 1.00 1.05 C ATOM 1769 O PRO A 126 -10.862 6.950 -7.826 1.00 1.36 O ATOM 1770 CB PRO A 126 -11.047 9.952 -8.225 1.00 1.27 C ATOM 1771 CG PRO A 126 -10.587 11.187 -7.515 1.00 1.31 C ATOM 1772 CD PRO A 126 -11.445 11.321 -6.260 1.00 1.39 C ATOM 0 HA PRO A 126 -12.753 8.771 -7.484 1.00 1.14 H new ATOM 0 HB2 PRO A 126 -10.203 9.421 -8.665 1.00 1.27 H new ATOM 0 HB3 PRO A 126 -11.725 10.204 -9.041 1.00 1.27 H new ATOM 0 HG2 PRO A 126 -9.531 11.113 -7.255 1.00 1.31 H new ATOM 0 HG3 PRO A 126 -10.697 12.063 -8.154 1.00 1.31 H new ATOM 0 HD2 PRO A 126 -10.895 11.787 -5.442 1.00 1.39 H new ATOM 0 HD3 PRO A 126 -12.329 11.933 -6.439 1.00 1.39 H new ATOM 1780 N GLY A 127 -10.413 7.627 -5.786 1.00 1.02 N ATOM 1781 CA GLY A 127 -9.627 6.396 -5.492 1.00 1.03 C ATOM 1782 C GLY A 127 -8.206 6.789 -5.086 1.00 1.09 C ATOM 1783 O GLY A 127 -7.686 7.799 -5.517 1.00 1.19 O ATOM 0 H GLY A 127 -10.470 8.297 -5.019 1.00 1.02 H new ATOM 0 HA2 GLY A 127 -10.103 5.829 -4.692 1.00 1.03 H new ATOM 0 HA3 GLY A 127 -9.601 5.749 -6.369 1.00 1.03 H new ATOM 1787 N GLN A 128 -7.571 6.004 -4.259 1.00 1.12 N ATOM 1788 CA GLN A 128 -6.186 6.345 -3.830 1.00 1.26 C ATOM 1789 C GLN A 128 -5.381 5.062 -3.604 1.00 1.11 C ATOM 1790 O GLN A 128 -5.809 4.161 -2.911 1.00 1.11 O ATOM 1791 CB GLN A 128 -6.241 7.151 -2.529 1.00 1.53 C ATOM 1792 CG GLN A 128 -5.570 8.512 -2.738 1.00 1.64 C ATOM 1793 CD GLN A 128 -4.049 8.338 -2.722 1.00 1.87 C ATOM 1794 OE1 GLN A 128 -3.417 8.329 -3.758 1.00 2.01 O ATOM 1795 NE2 GLN A 128 -3.434 8.201 -1.579 1.00 1.99 N ATOM 0 H GLN A 128 -7.950 5.144 -3.863 1.00 1.12 H new ATOM 0 HA GLN A 128 -5.704 6.937 -4.607 1.00 1.26 H new ATOM 0 HB2 GLN A 128 -7.277 7.289 -2.218 1.00 1.53 H new ATOM 0 HB3 GLN A 128 -5.739 6.606 -1.730 1.00 1.53 H new ATOM 0 HG2 GLN A 128 -5.887 8.944 -3.687 1.00 1.64 H new ATOM 0 HG3 GLN A 128 -5.876 9.205 -1.954 1.00 1.64 H new ATOM 0 HE21 GLN A 128 -3.967 8.209 -0.709 1.00 1.99 H new ATOM 0 HE22 GLN A 128 -2.421 8.086 -1.556 1.00 1.99 H new ATOM 1804 N VAL A 129 -4.214 4.981 -4.182 1.00 1.03 N ATOM 1805 CA VAL A 129 -3.365 3.770 -4.006 1.00 0.91 C ATOM 1806 C VAL A 129 -1.903 4.180 -4.179 1.00 0.88 C ATOM 1807 O VAL A 129 -1.391 4.254 -5.278 1.00 1.00 O ATOM 1808 CB VAL A 129 -3.744 2.722 -5.053 1.00 0.94 C ATOM 1809 CG1 VAL A 129 -3.948 3.396 -6.411 1.00 1.28 C ATOM 1810 CG2 VAL A 129 -2.626 1.683 -5.161 1.00 0.89 C ATOM 0 H VAL A 129 -3.810 5.708 -4.773 1.00 1.03 H new ATOM 0 HA VAL A 129 -3.515 3.342 -3.015 1.00 0.91 H new ATOM 0 HB VAL A 129 -4.670 2.232 -4.753 1.00 0.94 H new ATOM 0 HG11 VAL A 129 -4.218 2.645 -7.153 1.00 1.28 H new ATOM 0 HG12 VAL A 129 -4.747 4.134 -6.335 1.00 1.28 H new ATOM 0 HG13 VAL A 129 -3.025 3.890 -6.714 1.00 1.28 H new ATOM 0 HG21 VAL A 129 -2.895 0.935 -5.907 1.00 0.89 H new ATOM 0 HG22 VAL A 129 -1.700 2.175 -5.458 1.00 0.89 H new ATOM 0 HG23 VAL A 129 -2.486 1.198 -4.195 1.00 0.89 H new ATOM 1820 N ALA A 130 -1.235 4.476 -3.100 1.00 0.78 N ATOM 1821 CA ALA A 130 0.183 4.913 -3.201 1.00 0.85 C ATOM 1822 C ALA A 130 1.126 3.772 -2.813 1.00 0.75 C ATOM 1823 O ALA A 130 0.915 3.075 -1.841 1.00 0.73 O ATOM 1824 CB ALA A 130 0.399 6.097 -2.261 1.00 0.98 C ATOM 0 H ALA A 130 -1.610 4.434 -2.153 1.00 0.78 H new ATOM 0 HA ALA A 130 0.398 5.203 -4.230 1.00 0.85 H new ATOM 0 HB1 ALA A 130 1.436 6.428 -2.325 1.00 0.98 H new ATOM 0 HB2 ALA A 130 -0.262 6.915 -2.548 1.00 0.98 H new ATOM 0 HB3 ALA A 130 0.177 5.794 -1.238 1.00 0.98 H new ATOM 1830 N PHE A 131 2.173 3.591 -3.570 1.00 0.75 N ATOM 1831 CA PHE A 131 3.154 2.512 -3.264 1.00 0.70 C ATOM 1832 C PHE A 131 4.421 3.146 -2.686 1.00 0.77 C ATOM 1833 O PHE A 131 5.284 3.597 -3.411 1.00 0.99 O ATOM 1834 CB PHE A 131 3.508 1.772 -4.555 1.00 0.70 C ATOM 1835 CG PHE A 131 2.572 0.604 -4.764 1.00 0.84 C ATOM 1836 CD1 PHE A 131 1.262 0.650 -4.271 1.00 1.49 C ATOM 1837 CD2 PHE A 131 3.018 -0.527 -5.458 1.00 1.29 C ATOM 1838 CE1 PHE A 131 0.400 -0.435 -4.472 1.00 1.73 C ATOM 1839 CE2 PHE A 131 2.157 -1.611 -5.659 1.00 1.54 C ATOM 1840 CZ PHE A 131 0.847 -1.566 -5.166 1.00 1.48 C ATOM 0 H PHE A 131 2.393 4.150 -4.395 1.00 0.75 H new ATOM 0 HA PHE A 131 2.725 1.812 -2.546 1.00 0.70 H new ATOM 0 HB2 PHE A 131 3.444 2.454 -5.403 1.00 0.70 H new ATOM 0 HB3 PHE A 131 4.538 1.418 -4.508 1.00 0.70 H new ATOM 0 HD1 PHE A 131 0.917 1.522 -3.736 1.00 1.49 H new ATOM 0 HD2 PHE A 131 4.028 -0.563 -5.839 1.00 1.29 H new ATOM 0 HE1 PHE A 131 -0.610 -0.399 -4.092 1.00 1.73 H new ATOM 0 HE2 PHE A 131 2.503 -2.483 -6.195 1.00 1.54 H new ATOM 0 HZ PHE A 131 0.182 -2.403 -5.321 1.00 1.48 H new ATOM 1850 N HIS A 132 4.539 3.192 -1.386 1.00 0.82 N ATOM 1851 CA HIS A 132 5.750 3.808 -0.771 1.00 0.96 C ATOM 1852 C HIS A 132 6.729 2.712 -0.345 1.00 1.03 C ATOM 1853 O HIS A 132 6.369 1.774 0.338 1.00 1.41 O ATOM 1854 CB HIS A 132 5.337 4.626 0.455 1.00 1.41 C ATOM 1855 CG HIS A 132 4.579 5.847 0.012 1.00 1.36 C ATOM 1856 ND1 HIS A 132 3.692 6.508 0.846 1.00 1.70 N ATOM 1857 CD2 HIS A 132 4.565 6.540 -1.174 1.00 1.88 C ATOM 1858 CE1 HIS A 132 3.185 7.548 0.160 1.00 1.96 C ATOM 1859 NE2 HIS A 132 3.684 7.614 -1.078 1.00 2.32 N ATOM 0 H HIS A 132 3.851 2.831 -0.725 1.00 0.82 H new ATOM 0 HA HIS A 132 6.233 4.458 -1.500 1.00 0.96 H new ATOM 0 HB2 HIS A 132 4.718 4.021 1.117 1.00 1.41 H new ATOM 0 HB3 HIS A 132 6.219 4.919 1.024 1.00 1.41 H new ATOM 0 HD2 HIS A 132 5.148 6.290 -2.048 1.00 1.88 H new ATOM 0 HE1 HIS A 132 2.463 8.244 0.561 1.00 1.96 H new ATOM 0 HE2 HIS A 132 3.466 8.303 -1.798 1.00 2.32 H new ATOM 1867 N LEU A 133 7.968 2.826 -0.739 1.00 1.00 N ATOM 1868 CA LEU A 133 8.971 1.793 -0.354 1.00 1.39 C ATOM 1869 C LEU A 133 10.230 2.480 0.184 1.00 1.62 C ATOM 1870 O LEU A 133 10.947 1.931 0.998 1.00 2.04 O ATOM 1871 CB LEU A 133 9.336 0.949 -1.578 1.00 1.58 C ATOM 1872 CG LEU A 133 8.245 1.083 -2.641 1.00 1.41 C ATOM 1873 CD1 LEU A 133 8.511 2.325 -3.493 1.00 1.52 C ATOM 1874 CD2 LEU A 133 8.249 -0.157 -3.537 1.00 2.11 C ATOM 0 H LEU A 133 8.329 3.590 -1.311 1.00 1.00 H new ATOM 0 HA LEU A 133 8.548 1.149 0.417 1.00 1.39 H new ATOM 0 HB2 LEU A 133 10.294 1.274 -1.983 1.00 1.58 H new ATOM 0 HB3 LEU A 133 9.450 -0.096 -1.290 1.00 1.58 H new ATOM 0 HG LEU A 133 7.275 1.177 -2.153 1.00 1.41 H new ATOM 0 HD11 LEU A 133 7.733 2.420 -4.251 1.00 1.52 H new ATOM 0 HD12 LEU A 133 8.508 3.210 -2.857 1.00 1.52 H new ATOM 0 HD13 LEU A 133 9.482 2.231 -3.980 1.00 1.52 H new ATOM 0 HD21 LEU A 133 7.471 -0.061 -4.295 1.00 2.11 H new ATOM 0 HD22 LEU A 133 9.220 -0.251 -4.024 1.00 2.11 H new ATOM 0 HD23 LEU A 133 8.059 -1.044 -2.932 1.00 2.11 H new ATOM 1886 N GLY A 134 10.505 3.674 -0.265 1.00 1.46 N ATOM 1887 CA GLY A 134 11.718 4.393 0.220 1.00 1.77 C ATOM 1888 C GLY A 134 11.806 4.286 1.743 1.00 1.08 C ATOM 1889 O GLY A 134 10.806 4.291 2.434 1.00 0.83 O ATOM 0 H GLY A 134 9.942 4.183 -0.947 1.00 1.46 H new ATOM 0 HA2 GLY A 134 12.612 3.967 -0.236 1.00 1.77 H new ATOM 0 HA3 GLY A 134 11.676 5.440 -0.079 1.00 1.77 H new ATOM 1893 N LYS A 135 12.995 4.194 2.273 1.00 1.23 N ATOM 1894 CA LYS A 135 13.151 4.089 3.751 1.00 1.09 C ATOM 1895 C LYS A 135 14.598 4.390 4.138 1.00 1.32 C ATOM 1896 O LYS A 135 15.525 3.995 3.459 1.00 1.76 O ATOM 1897 CB LYS A 135 12.788 2.673 4.208 1.00 1.93 C ATOM 1898 CG LYS A 135 11.268 2.500 4.185 1.00 2.37 C ATOM 1899 CD LYS A 135 10.864 1.401 5.171 1.00 3.36 C ATOM 1900 CE LYS A 135 10.810 1.980 6.586 1.00 4.04 C ATOM 1901 NZ LYS A 135 9.441 2.504 6.855 1.00 5.06 N ATOM 0 H LYS A 135 13.867 4.187 1.744 1.00 1.23 H new ATOM 0 HA LYS A 135 12.488 4.808 4.233 1.00 1.09 H new ATOM 0 HB2 LYS A 135 13.258 1.938 3.555 1.00 1.93 H new ATOM 0 HB3 LYS A 135 13.169 2.496 5.214 1.00 1.93 H new ATOM 0 HG2 LYS A 135 10.781 3.438 4.450 1.00 2.37 H new ATOM 0 HG3 LYS A 135 10.936 2.241 3.180 1.00 2.37 H new ATOM 0 HD2 LYS A 135 9.892 0.991 4.897 1.00 3.36 H new ATOM 0 HD3 LYS A 135 11.579 0.580 5.130 1.00 3.36 H new ATOM 0 HE2 LYS A 135 11.067 1.212 7.315 1.00 4.04 H new ATOM 0 HE3 LYS A 135 11.544 2.779 6.692 1.00 4.04 H new ATOM 0 HZ1 LYS A 135 9.403 2.898 7.817 1.00 5.06 H new ATOM 0 HZ2 LYS A 135 9.213 3.249 6.166 1.00 5.06 H new ATOM 0 HZ3 LYS A 135 8.750 1.731 6.770 1.00 5.06 H new ATOM 1915 N ALA A 136 14.803 5.084 5.225 1.00 1.56 N ATOM 1916 CA ALA A 136 16.195 5.398 5.651 1.00 1.90 C ATOM 1917 C ALA A 136 17.072 4.175 5.390 1.00 2.22 C ATOM 1918 O ALA A 136 18.279 4.268 5.285 1.00 2.64 O ATOM 1919 CB ALA A 136 16.212 5.734 7.143 1.00 2.27 C ATOM 0 H ALA A 136 14.069 5.446 5.834 1.00 1.56 H new ATOM 0 HA ALA A 136 16.572 6.253 5.091 1.00 1.90 H new ATOM 0 HB1 ALA A 136 17.232 5.963 7.453 1.00 2.27 H new ATOM 0 HB2 ALA A 136 15.573 6.598 7.329 1.00 2.27 H new ATOM 0 HB3 ALA A 136 15.843 4.881 7.712 1.00 2.27 H new ATOM 1925 N GLY A 137 16.464 3.027 5.274 1.00 2.17 N ATOM 1926 CA GLY A 137 17.242 1.787 5.008 1.00 2.51 C ATOM 1927 C GLY A 137 16.587 1.028 3.852 1.00 1.81 C ATOM 1928 O GLY A 137 16.817 -0.150 3.661 1.00 2.11 O ATOM 0 H GLY A 137 15.456 2.895 5.353 1.00 2.17 H new ATOM 0 HA2 GLY A 137 18.274 2.036 4.759 1.00 2.51 H new ATOM 0 HA3 GLY A 137 17.271 1.162 5.900 1.00 2.51 H new ATOM 1932 N ALA A 138 15.764 1.695 3.086 1.00 1.23 N ATOM 1933 CA ALA A 138 15.085 1.018 1.945 1.00 1.37 C ATOM 1934 C ALA A 138 16.107 0.250 1.101 1.00 1.13 C ATOM 1935 O ALA A 138 17.227 0.023 1.513 1.00 1.41 O ATOM 1936 CB ALA A 138 14.396 2.067 1.071 1.00 2.32 C ATOM 0 H ALA A 138 15.533 2.682 3.203 1.00 1.23 H new ATOM 0 HA ALA A 138 14.348 0.317 2.336 1.00 1.37 H new ATOM 0 HB1 ALA A 138 13.898 1.575 0.235 1.00 2.32 H new ATOM 0 HB2 ALA A 138 13.659 2.608 1.665 1.00 2.32 H new ATOM 0 HB3 ALA A 138 15.139 2.767 0.689 1.00 2.32 H new ATOM 1942 N TYR A 139 15.724 -0.154 -0.080 1.00 0.82 N ATOM 1943 CA TYR A 139 16.660 -0.913 -0.956 1.00 0.75 C ATOM 1944 C TYR A 139 16.268 -0.702 -2.424 1.00 0.76 C ATOM 1945 O TYR A 139 16.410 0.379 -2.958 1.00 0.83 O ATOM 1946 CB TYR A 139 16.585 -2.398 -0.587 1.00 0.74 C ATOM 1947 CG TYR A 139 15.204 -2.717 -0.063 1.00 0.79 C ATOM 1948 CD1 TYR A 139 14.886 -2.435 1.271 1.00 1.42 C ATOM 1949 CD2 TYR A 139 14.242 -3.289 -0.905 1.00 1.41 C ATOM 1950 CE1 TYR A 139 13.608 -2.724 1.763 1.00 1.61 C ATOM 1951 CE2 TYR A 139 12.964 -3.577 -0.412 1.00 1.42 C ATOM 1952 CZ TYR A 139 12.647 -3.295 0.922 1.00 1.11 C ATOM 1953 OH TYR A 139 11.388 -3.579 1.409 1.00 1.32 O ATOM 0 H TYR A 139 14.799 0.010 -0.477 1.00 0.82 H new ATOM 0 HA TYR A 139 17.682 -0.560 -0.816 1.00 0.75 H new ATOM 0 HB2 TYR A 139 16.805 -3.012 -1.460 1.00 0.74 H new ATOM 0 HB3 TYR A 139 17.336 -2.635 0.167 1.00 0.74 H new ATOM 0 HD1 TYR A 139 15.627 -1.994 1.921 1.00 1.42 H new ATOM 0 HD2 TYR A 139 14.486 -3.508 -1.934 1.00 1.41 H new ATOM 0 HE1 TYR A 139 13.364 -2.506 2.792 1.00 1.61 H new ATOM 0 HE2 TYR A 139 12.222 -4.017 -1.061 1.00 1.42 H new ATOM 0 HH TYR A 139 11.184 -2.981 2.158 1.00 1.32 H new ATOM 1963 N GLU A 140 15.771 -1.715 -3.082 1.00 0.80 N ATOM 1964 CA GLU A 140 15.369 -1.555 -4.509 1.00 0.87 C ATOM 1965 C GLU A 140 13.999 -2.204 -4.717 1.00 0.77 C ATOM 1966 O GLU A 140 13.627 -3.119 -4.010 1.00 0.73 O ATOM 1967 CB GLU A 140 16.400 -2.235 -5.413 1.00 1.13 C ATOM 1968 CG GLU A 140 17.199 -1.170 -6.166 1.00 0.93 C ATOM 1969 CD GLU A 140 18.210 -1.850 -7.092 1.00 0.94 C ATOM 1970 OE1 GLU A 140 17.782 -2.581 -7.969 1.00 1.25 O ATOM 1971 OE2 GLU A 140 19.395 -1.628 -6.907 1.00 1.65 O ATOM 0 H GLU A 140 15.626 -2.647 -2.693 1.00 0.80 H new ATOM 0 HA GLU A 140 15.317 -0.495 -4.759 1.00 0.87 H new ATOM 0 HB2 GLU A 140 17.070 -2.854 -4.817 1.00 1.13 H new ATOM 0 HB3 GLU A 140 15.899 -2.897 -6.120 1.00 1.13 H new ATOM 0 HG2 GLU A 140 16.526 -0.538 -6.746 1.00 0.93 H new ATOM 0 HG3 GLU A 140 17.716 -0.521 -5.459 1.00 0.93 H new ATOM 1978 N PHE A 141 13.239 -1.740 -5.672 1.00 0.77 N ATOM 1979 CA PHE A 141 11.893 -2.345 -5.896 1.00 0.75 C ATOM 1980 C PHE A 141 11.669 -2.596 -7.388 1.00 0.72 C ATOM 1981 O PHE A 141 11.752 -1.695 -8.198 1.00 0.73 O ATOM 1982 CB PHE A 141 10.818 -1.390 -5.375 1.00 0.79 C ATOM 1983 CG PHE A 141 9.480 -2.090 -5.371 1.00 0.81 C ATOM 1984 CD1 PHE A 141 9.240 -3.135 -4.470 1.00 1.17 C ATOM 1985 CD2 PHE A 141 8.481 -1.696 -6.269 1.00 1.64 C ATOM 1986 CE1 PHE A 141 8.000 -3.784 -4.467 1.00 1.26 C ATOM 1987 CE2 PHE A 141 7.241 -2.346 -6.265 1.00 1.68 C ATOM 1988 CZ PHE A 141 7.000 -3.389 -5.365 1.00 1.00 C ATOM 0 H PHE A 141 13.487 -0.976 -6.301 1.00 0.77 H new ATOM 0 HA PHE A 141 11.835 -3.295 -5.364 1.00 0.75 H new ATOM 0 HB2 PHE A 141 11.069 -1.058 -4.368 1.00 0.79 H new ATOM 0 HB3 PHE A 141 10.773 -0.500 -6.002 1.00 0.79 H new ATOM 0 HD1 PHE A 141 10.011 -3.440 -3.778 1.00 1.17 H new ATOM 0 HD2 PHE A 141 8.667 -0.891 -6.965 1.00 1.64 H new ATOM 0 HE1 PHE A 141 7.814 -4.590 -3.772 1.00 1.26 H new ATOM 0 HE2 PHE A 141 6.470 -2.042 -6.957 1.00 1.68 H new ATOM 0 HZ PHE A 141 6.043 -3.890 -5.362 1.00 1.00 H new ATOM 1998 N CYS A 142 11.376 -3.816 -7.758 1.00 0.70 N ATOM 1999 CA CYS A 142 11.136 -4.127 -9.196 1.00 0.68 C ATOM 2000 C CYS A 142 9.667 -4.503 -9.397 1.00 0.68 C ATOM 2001 O CYS A 142 9.185 -5.464 -8.833 1.00 0.74 O ATOM 2002 CB CYS A 142 12.018 -5.306 -9.611 1.00 0.68 C ATOM 2003 SG CYS A 142 13.609 -4.693 -10.219 1.00 0.72 S ATOM 0 H CYS A 142 11.293 -4.611 -7.124 1.00 0.70 H new ATOM 0 HA CYS A 142 11.377 -3.254 -9.803 1.00 0.68 H new ATOM 0 HB2 CYS A 142 12.174 -5.972 -8.763 1.00 0.68 H new ATOM 0 HB3 CYS A 142 11.521 -5.889 -10.387 1.00 0.68 H new ATOM 2008 N ILE A 143 8.951 -3.755 -10.193 1.00 0.83 N ATOM 2009 CA ILE A 143 7.514 -4.072 -10.430 1.00 0.89 C ATOM 2010 C ILE A 143 7.236 -4.127 -11.928 1.00 0.92 C ATOM 2011 O ILE A 143 7.796 -3.390 -12.714 1.00 0.91 O ATOM 2012 CB ILE A 143 6.640 -3.002 -9.772 1.00 0.95 C ATOM 2013 CG1 ILE A 143 5.401 -2.723 -10.629 1.00 1.11 C ATOM 2014 CG2 ILE A 143 7.445 -1.711 -9.609 1.00 0.92 C ATOM 2015 CD1 ILE A 143 4.460 -1.783 -9.873 1.00 1.22 C ATOM 0 H ILE A 143 9.301 -2.936 -10.690 1.00 0.83 H new ATOM 0 HA ILE A 143 7.280 -5.043 -9.994 1.00 0.89 H new ATOM 0 HB ILE A 143 6.321 -3.364 -8.795 1.00 0.95 H new ATOM 0 HG12 ILE A 143 5.695 -2.275 -11.578 1.00 1.11 H new ATOM 0 HG13 ILE A 143 4.889 -3.657 -10.863 1.00 1.11 H new ATOM 0 HG21 ILE A 143 6.821 -0.950 -9.140 1.00 0.92 H new ATOM 0 HG22 ILE A 143 8.316 -1.902 -8.983 1.00 0.92 H new ATOM 0 HG23 ILE A 143 7.772 -1.360 -10.588 1.00 0.92 H new ATOM 0 HD11 ILE A 143 3.578 -1.584 -10.482 1.00 1.22 H new ATOM 0 HD12 ILE A 143 4.156 -2.249 -8.936 1.00 1.22 H new ATOM 0 HD13 ILE A 143 4.974 -0.845 -9.662 1.00 1.22 H new ATOM 2027 N SER A 144 6.359 -5.005 -12.312 1.00 1.00 N ATOM 2028 CA SER A 144 6.008 -5.143 -13.752 1.00 1.07 C ATOM 2029 C SER A 144 4.489 -5.253 -13.893 1.00 1.14 C ATOM 2030 O SER A 144 3.936 -5.017 -14.949 1.00 1.33 O ATOM 2031 CB SER A 144 6.666 -6.400 -14.320 1.00 1.17 C ATOM 2032 OG SER A 144 6.083 -7.548 -13.719 1.00 1.28 O ATOM 0 H SER A 144 5.864 -5.640 -11.686 1.00 1.00 H new ATOM 0 HA SER A 144 6.364 -4.270 -14.300 1.00 1.07 H new ATOM 0 HB2 SER A 144 6.535 -6.436 -15.402 1.00 1.17 H new ATOM 0 HB3 SER A 144 7.739 -6.381 -14.129 1.00 1.17 H new ATOM 0 HG SER A 144 5.705 -8.125 -14.415 1.00 1.28 H new ATOM 2038 N GLN A 145 3.808 -5.606 -12.836 1.00 1.08 N ATOM 2039 CA GLN A 145 2.322 -5.726 -12.917 1.00 1.29 C ATOM 2040 C GLN A 145 1.707 -5.379 -11.559 1.00 1.38 C ATOM 2041 O GLN A 145 2.380 -5.365 -10.548 1.00 1.99 O ATOM 2042 CB GLN A 145 1.927 -7.158 -13.298 1.00 1.40 C ATOM 2043 CG GLN A 145 3.145 -7.933 -13.810 1.00 1.94 C ATOM 2044 CD GLN A 145 3.540 -7.417 -15.194 1.00 2.35 C ATOM 2045 OE1 GLN A 145 4.627 -7.683 -15.667 1.00 2.30 O ATOM 2046 NE2 GLN A 145 2.697 -6.685 -15.871 1.00 3.30 N ATOM 0 H GLN A 145 4.213 -5.816 -11.924 1.00 1.08 H new ATOM 0 HA GLN A 145 1.953 -5.038 -13.678 1.00 1.29 H new ATOM 0 HB2 GLN A 145 1.503 -7.667 -12.433 1.00 1.40 H new ATOM 0 HB3 GLN A 145 1.154 -7.136 -14.066 1.00 1.40 H new ATOM 0 HG2 GLN A 145 3.979 -7.818 -13.117 1.00 1.94 H new ATOM 0 HG3 GLN A 145 2.916 -8.998 -13.860 1.00 1.94 H new ATOM 0 HE21 GLN A 145 1.784 -6.461 -15.475 1.00 3.30 H new ATOM 0 HE22 GLN A 145 2.951 -6.337 -16.796 1.00 3.30 H new ATOM 2055 N VAL A 146 0.430 -5.104 -11.528 1.00 1.54 N ATOM 2056 CA VAL A 146 -0.226 -4.763 -10.234 1.00 1.53 C ATOM 2057 C VAL A 146 -1.724 -4.554 -10.459 1.00 1.48 C ATOM 2058 O VAL A 146 -2.134 -3.737 -11.259 1.00 1.44 O ATOM 2059 CB VAL A 146 0.389 -3.481 -9.669 1.00 1.59 C ATOM 2060 CG1 VAL A 146 0.023 -2.300 -10.568 1.00 2.26 C ATOM 2061 CG2 VAL A 146 -0.153 -3.236 -8.259 1.00 2.16 C ATOM 0 H VAL A 146 -0.185 -5.101 -12.342 1.00 1.54 H new ATOM 0 HA VAL A 146 -0.076 -5.579 -9.527 1.00 1.53 H new ATOM 0 HB VAL A 146 1.473 -3.584 -9.630 1.00 1.59 H new ATOM 0 HG11 VAL A 146 0.461 -1.387 -10.165 1.00 2.26 H new ATOM 0 HG12 VAL A 146 0.408 -2.475 -11.573 1.00 2.26 H new ATOM 0 HG13 VAL A 146 -1.061 -2.195 -10.608 1.00 2.26 H new ATOM 0 HG21 VAL A 146 0.284 -2.323 -7.855 1.00 2.16 H new ATOM 0 HG22 VAL A 146 -1.237 -3.132 -8.299 1.00 2.16 H new ATOM 0 HG23 VAL A 146 0.108 -4.078 -7.618 1.00 2.16 H new ATOM 2071 N SER A 147 -2.547 -5.288 -9.759 1.00 1.63 N ATOM 2072 CA SER A 147 -4.018 -5.132 -9.933 1.00 1.76 C ATOM 2073 C SER A 147 -4.745 -5.818 -8.776 1.00 2.04 C ATOM 2074 O SER A 147 -4.256 -6.769 -8.199 1.00 2.17 O ATOM 2075 CB SER A 147 -4.445 -5.771 -11.255 1.00 2.02 C ATOM 2076 OG SER A 147 -3.288 -6.117 -12.004 1.00 2.76 O ATOM 0 H SER A 147 -2.263 -5.989 -9.074 1.00 1.63 H new ATOM 0 HA SER A 147 -4.272 -4.072 -9.943 1.00 1.76 H new ATOM 0 HB2 SER A 147 -5.048 -6.659 -11.065 1.00 2.02 H new ATOM 0 HB3 SER A 147 -5.067 -5.079 -11.823 1.00 2.02 H new ATOM 0 HG SER A 147 -3.538 -6.273 -12.939 1.00 2.76 H new ATOM 2082 N LEU A 148 -5.911 -5.344 -8.432 1.00 2.31 N ATOM 2083 CA LEU A 148 -6.671 -5.970 -7.313 1.00 2.65 C ATOM 2084 C LEU A 148 -7.971 -6.570 -7.849 1.00 2.54 C ATOM 2085 O LEU A 148 -8.317 -6.395 -9.001 1.00 3.02 O ATOM 2086 CB LEU A 148 -6.991 -4.912 -6.258 1.00 3.24 C ATOM 2087 CG LEU A 148 -8.135 -4.026 -6.751 1.00 3.51 C ATOM 2088 CD1 LEU A 148 -8.359 -2.894 -5.750 1.00 4.57 C ATOM 2089 CD2 LEU A 148 -7.773 -3.437 -8.115 1.00 3.26 C ATOM 0 H LEU A 148 -6.371 -4.550 -8.878 1.00 2.31 H new ATOM 0 HA LEU A 148 -6.068 -6.759 -6.863 1.00 2.65 H new ATOM 0 HB2 LEU A 148 -7.268 -5.392 -5.319 1.00 3.24 H new ATOM 0 HB3 LEU A 148 -6.108 -4.305 -6.057 1.00 3.24 H new ATOM 0 HG LEU A 148 -9.045 -4.619 -6.844 1.00 3.51 H new ATOM 0 HD11 LEU A 148 -9.174 -2.258 -6.096 1.00 4.57 H new ATOM 0 HD12 LEU A 148 -8.614 -3.314 -4.777 1.00 4.57 H new ATOM 0 HD13 LEU A 148 -7.449 -2.301 -5.662 1.00 4.57 H new ATOM 0 HD21 LEU A 148 -8.589 -2.805 -8.467 1.00 3.26 H new ATOM 0 HD22 LEU A 148 -6.865 -2.841 -8.024 1.00 3.26 H new ATOM 0 HD23 LEU A 148 -7.607 -4.245 -8.828 1.00 3.26 H new ATOM 2101 N THR A 149 -8.695 -7.278 -7.025 1.00 2.09 N ATOM 2102 CA THR A 149 -9.973 -7.887 -7.492 1.00 2.24 C ATOM 2103 C THR A 149 -10.882 -8.149 -6.290 1.00 1.93 C ATOM 2104 O THR A 149 -10.646 -7.662 -5.202 1.00 1.84 O ATOM 2105 CB THR A 149 -9.676 -9.209 -8.204 1.00 2.53 C ATOM 2106 OG1 THR A 149 -10.810 -10.060 -8.110 1.00 3.07 O ATOM 2107 CG2 THR A 149 -8.472 -9.887 -7.547 1.00 2.42 C ATOM 0 H THR A 149 -8.457 -7.461 -6.050 1.00 2.09 H new ATOM 0 HA THR A 149 -10.470 -7.205 -8.182 1.00 2.24 H new ATOM 0 HB THR A 149 -9.452 -9.014 -9.253 1.00 2.53 H new ATOM 0 HG1 THR A 149 -11.176 -10.218 -9.005 1.00 3.07 H new ATOM 0 HG21 THR A 149 -8.262 -10.828 -8.055 1.00 2.42 H new ATOM 0 HG22 THR A 149 -7.602 -9.234 -7.619 1.00 2.42 H new ATOM 0 HG23 THR A 149 -8.693 -10.083 -6.498 1.00 2.42 H new ATOM 2115 N THR A 150 -11.924 -8.912 -6.478 1.00 1.92 N ATOM 2116 CA THR A 150 -12.848 -9.204 -5.346 1.00 1.72 C ATOM 2117 C THR A 150 -13.747 -10.387 -5.713 1.00 1.75 C ATOM 2118 O THR A 150 -13.388 -11.227 -6.513 1.00 2.00 O ATOM 2119 CB THR A 150 -13.714 -7.974 -5.066 1.00 1.59 C ATOM 2120 OG1 THR A 150 -14.559 -8.235 -3.954 1.00 1.52 O ATOM 2121 CG2 THR A 150 -14.567 -7.655 -6.294 1.00 1.66 C ATOM 0 H THR A 150 -12.175 -9.346 -7.366 1.00 1.92 H new ATOM 0 HA THR A 150 -12.267 -9.451 -4.457 1.00 1.72 H new ATOM 0 HB THR A 150 -13.072 -7.122 -4.843 1.00 1.59 H new ATOM 0 HG1 THR A 150 -14.048 -8.135 -3.124 1.00 1.52 H new ATOM 0 HG21 THR A 150 -15.183 -6.779 -6.092 1.00 1.66 H new ATOM 0 HG22 THR A 150 -13.917 -7.453 -7.146 1.00 1.66 H new ATOM 0 HG23 THR A 150 -15.210 -8.505 -6.521 1.00 1.66 H new