USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=35 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 71 THR OG1 : rot 153:sc= -8.36! USER MOD Set 1.2: A 144 SER OG : rot -89:sc= -1.34 USER MOD Set 2.1: A 114 THR OG1 : rot 180:sc= 0.036 USER MOD Set 2.2: A 116 ASN :FLIP amide:sc= -1.49 F(o=-4.4!,f=-1.5) USER MOD Set 3.1: A 45 GLN : amide:sc= -2.26! C(o=-11!,f=-22!) USER MOD Set 3.2: A 47 ASN :FLIP amide:sc= -8.91! C(o=-18!,f=-11!) USER MOD Single : A 12 HIS : no HD1:sc= -1.97! X(o=-2!,f=-2.1) USER MOD Single : A 13 THR OG1 : rot -71:sc= -0.521! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot -130:sc= -1.34! USER MOD Single : A 27 THR OG1 : rot -91:sc= -7.78! USER MOD Single : A 28 SER OG : rot 100:sc= -0.521 USER MOD Single : A 37 MET CE :methyl -142:sc= -0.348 (180deg=-2.09!) USER MOD Single : A 55 TYR OH : rot -2:sc= -2.38! USER MOD Single : A 56 ASN : amide:sc= -2.84 X(o=-2.8,f=-3!) USER MOD Single : A 65 SER OG : rot 180:sc= -1.42 USER MOD Single : A 66 TYR OH : rot 129:sc= 0.572 USER MOD Single : A 69 SER OG : rot 141:sc= -2.93! USER MOD Single : A 73 SER OG : rot 180:sc= -0.14 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.854 USER MOD Single : A 78 MET CE :methyl -164:sc= -1.81 (180deg=-3.06!) USER MOD Single : A 93 THR OG1 : rot 133:sc= -0.362! USER MOD Single : A 97 GLN :FLIP amide:sc= -1.26 F(o=-3.4!,f=-1.3) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 126:sc= -1.58! USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0872 USER MOD Single : A 111 TYR OH : rot -15:sc= -1.71! USER MOD Single : A 115 SER OG : rot -48:sc= -11.1! USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0127 USER MOD Single : A 128 GLN :FLIP amide:sc= -3.66! C(o=-8.4!,f=-3.7!) USER MOD Single : A 132 HIS : no HD1:sc= -5.41! C(o=-5.4!,f=-6.3!) USER MOD Single : A 135 LYS NZ :NH3+ -169:sc= -0.801 (180deg=-0.953) USER MOD Single : A 139 TYR OH : rot -165:sc= -4.52! USER MOD Single : A 145 GLN :FLIP amide:sc= -0.0392 F(o=-1.8!,f=-0.039) USER MOD Single : A 147 SER OG : rot -64:sc= 0.0182 USER MOD Single : A 149 THR OG1 : rot -128:sc= -1.66! USER MOD Single : A 150 THR OG1 : rot 98:sc= -1.53! USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 7 -12.986 -8.784 -10.613 1.00 2.11 N ATOM 82 CA VAL A 7 -13.431 -7.382 -10.856 1.00 2.12 C ATOM 83 C VAL A 7 -12.207 -6.493 -11.080 1.00 2.11 C ATOM 84 O VAL A 7 -11.732 -5.833 -10.177 1.00 2.83 O ATOM 85 CB VAL A 7 -14.211 -6.878 -9.641 1.00 2.16 C ATOM 86 CG1 VAL A 7 -15.111 -5.713 -10.059 1.00 2.17 C ATOM 87 CG2 VAL A 7 -15.074 -8.012 -9.082 1.00 2.42 C ATOM 0 HA VAL A 7 -14.071 -7.350 -11.738 1.00 2.12 H new ATOM 0 HB VAL A 7 -13.512 -6.541 -8.876 1.00 2.16 H new ATOM 0 HG11 VAL A 7 -15.667 -5.354 -9.193 1.00 2.17 H new ATOM 0 HG12 VAL A 7 -14.498 -4.905 -10.458 1.00 2.17 H new ATOM 0 HG13 VAL A 7 -15.810 -6.050 -10.825 1.00 2.17 H new ATOM 0 HG21 VAL A 7 -15.630 -7.653 -8.216 1.00 2.42 H new ATOM 0 HG22 VAL A 7 -15.773 -8.349 -9.848 1.00 2.42 H new ATOM 0 HG23 VAL A 7 -14.435 -8.843 -8.784 1.00 2.42 H new ATOM 97 N GLU A 8 -11.691 -6.470 -12.279 1.00 1.96 N ATOM 98 CA GLU A 8 -10.497 -5.624 -12.560 1.00 2.32 C ATOM 99 C GLU A 8 -10.948 -4.204 -12.911 1.00 2.30 C ATOM 100 O GLU A 8 -11.086 -3.853 -14.066 1.00 2.59 O ATOM 101 CB GLU A 8 -9.717 -6.218 -13.736 1.00 3.06 C ATOM 102 CG GLU A 8 -8.227 -6.257 -13.392 1.00 3.55 C ATOM 103 CD GLU A 8 -7.960 -7.391 -12.401 1.00 4.20 C ATOM 104 OE1 GLU A 8 -8.481 -8.473 -12.615 1.00 4.75 O ATOM 105 OE2 GLU A 8 -7.241 -7.157 -11.443 1.00 4.42 O ATOM 0 H GLU A 8 -12.045 -7.000 -13.075 1.00 1.96 H new ATOM 0 HA GLU A 8 -9.857 -5.593 -11.678 1.00 2.32 H new ATOM 0 HB2 GLU A 8 -10.077 -7.223 -13.954 1.00 3.06 H new ATOM 0 HB3 GLU A 8 -9.879 -5.620 -14.633 1.00 3.06 H new ATOM 0 HG2 GLU A 8 -7.638 -6.405 -14.297 1.00 3.55 H new ATOM 0 HG3 GLU A 8 -7.917 -5.304 -12.962 1.00 3.55 H new ATOM 112 N LEU A 9 -11.176 -3.383 -11.923 1.00 2.76 N ATOM 113 CA LEU A 9 -11.615 -1.987 -12.200 1.00 3.48 C ATOM 114 C LEU A 9 -10.477 -1.225 -12.881 1.00 3.43 C ATOM 115 O LEU A 9 -10.693 -0.235 -13.553 1.00 4.12 O ATOM 116 CB LEU A 9 -11.977 -1.297 -10.884 1.00 3.72 C ATOM 117 CG LEU A 9 -13.458 -1.520 -10.579 1.00 4.22 C ATOM 118 CD1 LEU A 9 -13.658 -1.644 -9.068 1.00 4.95 C ATOM 119 CD2 LEU A 9 -14.270 -0.333 -11.105 1.00 3.49 C ATOM 0 H LEU A 9 -11.077 -3.619 -10.936 1.00 2.76 H new ATOM 0 HA LEU A 9 -12.487 -2.000 -12.854 1.00 3.48 H new ATOM 0 HB2 LEU A 9 -11.365 -1.693 -10.074 1.00 3.72 H new ATOM 0 HB3 LEU A 9 -11.766 -0.230 -10.951 1.00 3.72 H new ATOM 0 HG LEU A 9 -13.794 -2.436 -11.064 1.00 4.22 H new ATOM 0 HD11 LEU A 9 -14.715 -1.803 -8.853 1.00 4.95 H new ATOM 0 HD12 LEU A 9 -13.080 -2.489 -8.693 1.00 4.95 H new ATOM 0 HD13 LEU A 9 -13.322 -0.729 -8.580 1.00 4.95 H new ATOM 0 HD21 LEU A 9 -15.327 -0.490 -10.888 1.00 3.49 H new ATOM 0 HD22 LEU A 9 -13.932 0.583 -10.619 1.00 3.49 H new ATOM 0 HD23 LEU A 9 -14.130 -0.245 -12.182 1.00 3.49 H new ATOM 131 N LEU A 10 -9.266 -1.681 -12.716 1.00 2.81 N ATOM 132 CA LEU A 10 -8.112 -0.987 -13.354 1.00 2.72 C ATOM 133 C LEU A 10 -7.320 -2.007 -14.176 1.00 2.86 C ATOM 134 O LEU A 10 -6.292 -2.498 -13.755 1.00 2.83 O ATOM 135 CB LEU A 10 -7.226 -0.382 -12.256 1.00 2.41 C ATOM 136 CG LEU A 10 -6.090 0.470 -12.844 1.00 2.12 C ATOM 137 CD1 LEU A 10 -4.923 -0.425 -13.260 1.00 1.99 C ATOM 138 CD2 LEU A 10 -6.577 1.259 -14.062 1.00 2.07 C ATOM 0 H LEU A 10 -9.025 -2.506 -12.166 1.00 2.81 H new ATOM 0 HA LEU A 10 -8.458 -0.189 -14.010 1.00 2.72 H new ATOM 0 HB2 LEU A 10 -7.836 0.233 -11.594 1.00 2.41 H new ATOM 0 HB3 LEU A 10 -6.803 -1.182 -11.648 1.00 2.41 H new ATOM 0 HG LEU A 10 -5.761 1.170 -12.076 1.00 2.12 H new ATOM 0 HD11 LEU A 10 -4.124 0.189 -13.675 1.00 1.99 H new ATOM 0 HD12 LEU A 10 -4.551 -0.965 -12.390 1.00 1.99 H new ATOM 0 HD13 LEU A 10 -5.261 -1.138 -14.012 1.00 1.99 H new ATOM 0 HD21 LEU A 10 -5.756 1.855 -14.462 1.00 2.07 H new ATOM 0 HD22 LEU A 10 -6.929 0.567 -14.827 1.00 2.07 H new ATOM 0 HD23 LEU A 10 -7.393 1.918 -13.766 1.00 2.07 H new ATOM 150 N PRO A 11 -7.819 -2.332 -15.337 1.00 3.10 N ATOM 151 CA PRO A 11 -7.177 -3.324 -16.250 1.00 3.32 C ATOM 152 C PRO A 11 -5.740 -2.947 -16.618 1.00 2.96 C ATOM 153 O PRO A 11 -5.321 -3.106 -17.747 1.00 3.09 O ATOM 154 CB PRO A 11 -8.062 -3.311 -17.501 1.00 3.83 C ATOM 155 CG PRO A 11 -9.365 -2.722 -17.073 1.00 3.73 C ATOM 156 CD PRO A 11 -9.059 -1.785 -15.906 1.00 3.29 C ATOM 0 HA PRO A 11 -7.104 -4.303 -15.776 1.00 3.32 H new ATOM 0 HB2 PRO A 11 -7.607 -2.719 -18.295 1.00 3.83 H new ATOM 0 HB3 PRO A 11 -8.199 -4.319 -17.893 1.00 3.83 H new ATOM 0 HG2 PRO A 11 -9.833 -2.178 -17.894 1.00 3.73 H new ATOM 0 HG3 PRO A 11 -10.062 -3.503 -16.770 1.00 3.73 H new ATOM 0 HD2 PRO A 11 -8.926 -0.757 -16.242 1.00 3.29 H new ATOM 0 HD3 PRO A 11 -9.867 -1.779 -15.174 1.00 3.29 H new ATOM 164 N HIS A 12 -4.977 -2.454 -15.681 1.00 2.52 N ATOM 165 CA HIS A 12 -3.568 -2.082 -16.001 1.00 2.16 C ATOM 166 C HIS A 12 -2.644 -2.571 -14.884 1.00 1.83 C ATOM 167 O HIS A 12 -2.447 -1.903 -13.889 1.00 1.69 O ATOM 168 CB HIS A 12 -3.446 -0.562 -16.134 1.00 2.13 C ATOM 169 CG HIS A 12 -2.363 -0.231 -17.123 1.00 1.93 C ATOM 170 ND1 HIS A 12 -2.359 -0.732 -18.414 1.00 1.98 N ATOM 171 CD2 HIS A 12 -1.238 0.551 -17.021 1.00 1.81 C ATOM 172 CE1 HIS A 12 -1.267 -0.252 -19.034 1.00 1.94 C ATOM 173 NE2 HIS A 12 -0.547 0.536 -18.231 1.00 1.82 N ATOM 0 H HIS A 12 -5.264 -2.293 -14.716 1.00 2.52 H new ATOM 0 HA HIS A 12 -3.281 -2.548 -16.944 1.00 2.16 H new ATOM 0 HB2 HIS A 12 -4.395 -0.138 -16.462 1.00 2.13 H new ATOM 0 HB3 HIS A 12 -3.216 -0.119 -15.165 1.00 2.13 H new ATOM 0 HD2 HIS A 12 -0.935 1.094 -16.138 1.00 1.81 H new ATOM 0 HE1 HIS A 12 -1.004 -0.476 -20.057 1.00 1.94 H new ATOM 0 HE2 HIS A 12 0.321 1.022 -18.455 1.00 1.82 H new ATOM 181 N THR A 13 -2.075 -3.734 -15.044 1.00 1.82 N ATOM 182 CA THR A 13 -1.162 -4.269 -13.996 1.00 1.56 C ATOM 183 C THR A 13 0.030 -4.954 -14.665 1.00 1.39 C ATOM 184 O THR A 13 0.345 -6.093 -14.381 1.00 1.58 O ATOM 185 CB THR A 13 -1.916 -5.285 -13.134 1.00 1.72 C ATOM 186 OG1 THR A 13 -0.983 -6.092 -12.431 1.00 1.59 O ATOM 187 CG2 THR A 13 -2.788 -6.168 -14.028 1.00 1.97 C ATOM 0 H THR A 13 -2.203 -4.337 -15.856 1.00 1.82 H new ATOM 0 HA THR A 13 -0.808 -3.452 -13.368 1.00 1.56 H new ATOM 0 HB THR A 13 -2.550 -4.758 -12.421 1.00 1.72 H new ATOM 0 HG1 THR A 13 -0.538 -6.699 -13.058 1.00 1.59 H new ATOM 0 HG21 THR A 13 -3.324 -6.891 -13.413 1.00 1.97 H new ATOM 0 HG22 THR A 13 -3.504 -5.547 -14.566 1.00 1.97 H new ATOM 0 HG23 THR A 13 -2.158 -6.697 -14.743 1.00 1.97 H new ATOM 195 N SER A 14 0.697 -4.271 -15.555 1.00 1.20 N ATOM 196 CA SER A 14 1.866 -4.885 -16.242 1.00 1.07 C ATOM 197 C SER A 14 2.915 -3.810 -16.534 1.00 1.04 C ATOM 198 O SER A 14 3.115 -3.418 -17.667 1.00 1.10 O ATOM 199 CB SER A 14 1.408 -5.520 -17.556 1.00 1.14 C ATOM 200 OG SER A 14 0.150 -4.975 -17.927 1.00 1.96 O ATOM 0 H SER A 14 0.482 -3.314 -15.835 1.00 1.20 H new ATOM 0 HA SER A 14 2.302 -5.650 -15.599 1.00 1.07 H new ATOM 0 HB2 SER A 14 2.143 -5.334 -18.339 1.00 1.14 H new ATOM 0 HB3 SER A 14 1.330 -6.601 -17.443 1.00 1.14 H new ATOM 0 HG SER A 14 -0.146 -5.379 -18.770 1.00 1.96 H new ATOM 206 N PHE A 15 3.588 -3.333 -15.523 1.00 1.01 N ATOM 207 CA PHE A 15 4.626 -2.287 -15.747 1.00 1.00 C ATOM 208 C PHE A 15 5.737 -2.866 -16.626 1.00 1.00 C ATOM 209 O PHE A 15 6.908 -2.643 -16.391 1.00 0.98 O ATOM 210 CB PHE A 15 5.215 -1.858 -14.401 1.00 0.98 C ATOM 211 CG PHE A 15 4.307 -0.849 -13.735 1.00 0.88 C ATOM 212 CD1 PHE A 15 2.944 -0.803 -14.056 1.00 1.11 C ATOM 213 CD2 PHE A 15 4.832 0.041 -12.791 1.00 1.74 C ATOM 214 CE1 PHE A 15 2.109 0.132 -13.433 1.00 1.14 C ATOM 215 CE2 PHE A 15 3.997 0.976 -12.168 1.00 1.76 C ATOM 216 CZ PHE A 15 2.635 1.021 -12.488 1.00 0.95 C ATOM 0 H PHE A 15 3.464 -3.622 -14.553 1.00 1.01 H new ATOM 0 HA PHE A 15 4.178 -1.423 -16.239 1.00 1.00 H new ATOM 0 HB2 PHE A 15 5.340 -2.728 -13.756 1.00 0.98 H new ATOM 0 HB3 PHE A 15 6.205 -1.426 -14.549 1.00 0.98 H new ATOM 0 HD1 PHE A 15 2.537 -1.489 -14.784 1.00 1.11 H new ATOM 0 HD2 PHE A 15 5.883 0.006 -12.543 1.00 1.74 H new ATOM 0 HE1 PHE A 15 1.059 0.168 -13.681 1.00 1.14 H new ATOM 0 HE2 PHE A 15 4.404 1.663 -11.440 1.00 1.76 H new ATOM 0 HZ PHE A 15 1.990 1.741 -12.006 1.00 0.95 H new ATOM 226 N ALA A 16 5.377 -3.615 -17.631 1.00 1.06 N ATOM 227 CA ALA A 16 6.410 -4.219 -18.520 1.00 1.09 C ATOM 228 C ALA A 16 6.720 -3.270 -19.681 1.00 1.10 C ATOM 229 O ALA A 16 7.854 -3.135 -20.095 1.00 1.18 O ATOM 230 CB ALA A 16 5.886 -5.546 -19.074 1.00 1.14 C ATOM 0 H ALA A 16 4.412 -3.835 -17.876 1.00 1.06 H new ATOM 0 HA ALA A 16 7.321 -4.392 -17.947 1.00 1.09 H new ATOM 0 HB1 ALA A 16 6.639 -5.991 -19.725 1.00 1.14 H new ATOM 0 HB2 ALA A 16 5.672 -6.226 -18.249 1.00 1.14 H new ATOM 0 HB3 ALA A 16 4.974 -5.368 -19.643 1.00 1.14 H new ATOM 236 N GLU A 17 5.724 -2.619 -20.217 1.00 1.15 N ATOM 237 CA GLU A 17 5.971 -1.691 -21.355 1.00 1.19 C ATOM 238 C GLU A 17 5.779 -0.245 -20.897 1.00 1.29 C ATOM 239 O GLU A 17 6.723 0.440 -20.560 1.00 1.41 O ATOM 240 CB GLU A 17 4.984 -2.005 -22.480 1.00 1.32 C ATOM 241 CG GLU A 17 5.596 -3.042 -23.423 1.00 1.41 C ATOM 242 CD GLU A 17 4.486 -3.705 -24.242 1.00 1.67 C ATOM 243 OE1 GLU A 17 4.153 -3.176 -25.289 1.00 1.96 O ATOM 244 OE2 GLU A 17 3.989 -4.731 -23.808 1.00 2.13 O ATOM 0 H GLU A 17 4.752 -2.690 -19.916 1.00 1.15 H new ATOM 0 HA GLU A 17 6.993 -1.819 -21.713 1.00 1.19 H new ATOM 0 HB2 GLU A 17 4.050 -2.383 -22.064 1.00 1.32 H new ATOM 0 HB3 GLU A 17 4.742 -1.096 -23.030 1.00 1.32 H new ATOM 0 HG2 GLU A 17 6.317 -2.565 -24.087 1.00 1.41 H new ATOM 0 HG3 GLU A 17 6.139 -3.794 -22.851 1.00 1.41 H new ATOM 251 N SER A 18 4.562 0.229 -20.887 1.00 1.41 N ATOM 252 CA SER A 18 4.314 1.634 -20.456 1.00 1.64 C ATOM 253 C SER A 18 3.745 1.642 -19.037 1.00 1.51 C ATOM 254 O SER A 18 2.980 0.777 -18.658 1.00 1.30 O ATOM 255 CB SER A 18 3.316 2.290 -21.410 1.00 2.02 C ATOM 256 OG SER A 18 3.880 2.348 -22.713 1.00 2.26 O ATOM 0 H SER A 18 3.730 -0.296 -21.158 1.00 1.41 H new ATOM 0 HA SER A 18 5.252 2.189 -20.472 1.00 1.64 H new ATOM 0 HB2 SER A 18 2.386 1.722 -21.429 1.00 2.02 H new ATOM 0 HB3 SER A 18 3.069 3.293 -21.063 1.00 2.02 H new ATOM 0 HG SER A 18 3.242 2.767 -23.327 1.00 2.26 H new ATOM 262 N LEU A 19 4.109 2.616 -18.248 1.00 1.67 N ATOM 263 CA LEU A 19 3.587 2.682 -16.854 1.00 1.59 C ATOM 264 C LEU A 19 2.058 2.737 -16.884 1.00 1.72 C ATOM 265 O LEU A 19 1.386 1.921 -16.285 1.00 2.45 O ATOM 266 CB LEU A 19 4.130 3.935 -16.165 1.00 1.61 C ATOM 267 CG LEU A 19 5.505 3.632 -15.564 1.00 1.71 C ATOM 268 CD1 LEU A 19 6.357 4.902 -15.571 1.00 2.60 C ATOM 269 CD2 LEU A 19 5.334 3.141 -14.125 1.00 1.37 C ATOM 0 H LEU A 19 4.746 3.369 -18.509 1.00 1.67 H new ATOM 0 HA LEU A 19 3.908 1.798 -16.303 1.00 1.59 H new ATOM 0 HB2 LEU A 19 4.207 4.753 -16.882 1.00 1.61 H new ATOM 0 HB3 LEU A 19 3.443 4.260 -15.383 1.00 1.61 H new ATOM 0 HG LEU A 19 5.998 2.861 -16.156 1.00 1.71 H new ATOM 0 HD11 LEU A 19 7.336 4.686 -15.143 1.00 2.60 H new ATOM 0 HD12 LEU A 19 6.479 5.253 -16.596 1.00 2.60 H new ATOM 0 HD13 LEU A 19 5.865 5.674 -14.979 1.00 2.60 H new ATOM 0 HD21 LEU A 19 6.312 2.925 -13.696 1.00 1.37 H new ATOM 0 HD22 LEU A 19 4.841 3.912 -13.534 1.00 1.37 H new ATOM 0 HD23 LEU A 19 4.727 2.236 -14.119 1.00 1.37 H new ATOM 281 N GLY A 20 1.503 3.694 -17.578 1.00 1.44 N ATOM 282 CA GLY A 20 0.017 3.800 -17.646 1.00 1.58 C ATOM 283 C GLY A 20 -0.461 4.917 -16.716 1.00 1.59 C ATOM 284 O GLY A 20 0.310 5.754 -16.289 1.00 1.62 O ATOM 0 H GLY A 20 2.014 4.406 -18.100 1.00 1.44 H new ATOM 0 HA2 GLY A 20 -0.297 4.006 -18.669 1.00 1.58 H new ATOM 0 HA3 GLY A 20 -0.439 2.853 -17.358 1.00 1.58 H new ATOM 288 N PRO A 21 -1.729 4.925 -16.409 1.00 1.60 N ATOM 289 CA PRO A 21 -2.337 5.955 -15.515 1.00 1.60 C ATOM 290 C PRO A 21 -1.581 6.087 -14.190 1.00 1.43 C ATOM 291 O PRO A 21 -1.435 7.169 -13.654 1.00 1.67 O ATOM 292 CB PRO A 21 -3.756 5.439 -15.267 1.00 1.68 C ATOM 293 CG PRO A 21 -4.060 4.526 -16.408 1.00 1.70 C ATOM 294 CD PRO A 21 -2.725 3.952 -16.882 1.00 1.63 C ATOM 0 HA PRO A 21 -2.309 6.947 -15.967 1.00 1.60 H new ATOM 0 HB2 PRO A 21 -3.820 4.911 -14.316 1.00 1.68 H new ATOM 0 HB3 PRO A 21 -4.470 6.262 -15.223 1.00 1.68 H new ATOM 0 HG2 PRO A 21 -4.735 3.729 -16.096 1.00 1.70 H new ATOM 0 HG3 PRO A 21 -4.556 5.066 -17.214 1.00 1.70 H new ATOM 0 HD2 PRO A 21 -2.545 2.962 -16.463 1.00 1.63 H new ATOM 0 HD3 PRO A 21 -2.698 3.849 -17.967 1.00 1.63 H new ATOM 302 N TRP A 22 -1.100 4.997 -13.659 1.00 1.30 N ATOM 303 CA TRP A 22 -0.356 5.064 -12.370 1.00 1.15 C ATOM 304 C TRP A 22 0.796 6.062 -12.498 1.00 1.24 C ATOM 305 O TRP A 22 1.230 6.388 -13.585 1.00 1.48 O ATOM 306 CB TRP A 22 0.206 3.680 -12.032 1.00 1.19 C ATOM 307 CG TRP A 22 -0.907 2.777 -11.602 1.00 1.24 C ATOM 308 CD1 TRP A 22 -1.988 2.465 -12.352 1.00 1.40 C ATOM 309 CD2 TRP A 22 -1.066 2.065 -10.340 1.00 1.50 C ATOM 310 NE1 TRP A 22 -2.798 1.605 -11.634 1.00 1.52 N ATOM 311 CE2 TRP A 22 -2.274 1.329 -10.387 1.00 1.59 C ATOM 312 CE3 TRP A 22 -0.288 1.987 -9.171 1.00 1.94 C ATOM 313 CZ2 TRP A 22 -2.694 0.543 -9.312 1.00 1.97 C ATOM 314 CZ3 TRP A 22 -0.707 1.199 -8.088 1.00 2.42 C ATOM 315 CH2 TRP A 22 -1.908 0.477 -8.157 1.00 2.39 C ATOM 0 H TRP A 22 -1.190 4.064 -14.061 1.00 1.30 H new ATOM 0 HA TRP A 22 -1.031 5.386 -11.578 1.00 1.15 H new ATOM 0 HB2 TRP A 22 0.713 3.260 -12.901 1.00 1.19 H new ATOM 0 HB3 TRP A 22 0.949 3.762 -11.238 1.00 1.19 H new ATOM 0 HD1 TRP A 22 -2.186 2.828 -13.349 1.00 1.40 H new ATOM 0 HE1 TRP A 22 -3.676 1.221 -11.983 1.00 1.52 H new ATOM 0 HE3 TRP A 22 0.639 2.538 -9.106 1.00 1.94 H new ATOM 0 HZ2 TRP A 22 -3.620 -0.010 -9.372 1.00 1.97 H new ATOM 0 HZ3 TRP A 22 -0.101 1.148 -7.196 1.00 2.42 H new ATOM 0 HH2 TRP A 22 -2.225 -0.128 -7.320 1.00 2.39 H new ATOM 326 N SER A 23 1.297 6.549 -11.396 1.00 1.20 N ATOM 327 CA SER A 23 2.421 7.526 -11.456 1.00 1.36 C ATOM 328 C SER A 23 3.547 7.061 -10.529 1.00 1.28 C ATOM 329 O SER A 23 3.427 6.062 -9.848 1.00 1.33 O ATOM 330 CB SER A 23 1.927 8.901 -11.008 1.00 1.45 C ATOM 331 OG SER A 23 1.411 9.603 -12.130 1.00 1.64 O ATOM 0 H SER A 23 0.977 6.313 -10.457 1.00 1.20 H new ATOM 0 HA SER A 23 2.793 7.591 -12.478 1.00 1.36 H new ATOM 0 HB2 SER A 23 1.155 8.792 -10.246 1.00 1.45 H new ATOM 0 HB3 SER A 23 2.744 9.464 -10.556 1.00 1.45 H new ATOM 0 HG SER A 23 1.092 10.485 -11.846 1.00 1.64 H new ATOM 337 N LEU A 24 4.639 7.775 -10.499 1.00 1.31 N ATOM 338 CA LEU A 24 5.766 7.367 -9.614 1.00 1.25 C ATOM 339 C LEU A 24 6.881 8.413 -9.686 1.00 1.30 C ATOM 340 O LEU A 24 7.053 9.084 -10.685 1.00 1.47 O ATOM 341 CB LEU A 24 6.304 6.011 -10.068 1.00 1.40 C ATOM 342 CG LEU A 24 7.115 6.178 -11.353 1.00 1.44 C ATOM 343 CD1 LEU A 24 7.598 4.806 -11.821 1.00 2.02 C ATOM 344 CD2 LEU A 24 6.232 6.805 -12.436 1.00 2.05 C ATOM 0 H LEU A 24 4.799 8.620 -11.047 1.00 1.31 H new ATOM 0 HA LEU A 24 5.411 7.291 -8.586 1.00 1.25 H new ATOM 0 HB2 LEU A 24 6.929 5.578 -9.287 1.00 1.40 H new ATOM 0 HB3 LEU A 24 5.478 5.320 -10.236 1.00 1.40 H new ATOM 0 HG LEU A 24 7.972 6.825 -11.166 1.00 1.44 H new ATOM 0 HD11 LEU A 24 8.177 4.917 -12.738 1.00 2.02 H new ATOM 0 HD12 LEU A 24 8.223 4.357 -11.049 1.00 2.02 H new ATOM 0 HD13 LEU A 24 6.739 4.163 -12.011 1.00 2.02 H new ATOM 0 HD21 LEU A 24 6.810 6.924 -13.353 1.00 2.05 H new ATOM 0 HD22 LEU A 24 5.377 6.157 -12.628 1.00 2.05 H new ATOM 0 HD23 LEU A 24 5.880 7.780 -12.099 1.00 2.05 H new ATOM 356 N TYR A 25 7.642 8.555 -8.636 1.00 1.23 N ATOM 357 CA TYR A 25 8.747 9.555 -8.648 1.00 1.38 C ATOM 358 C TYR A 25 9.328 9.699 -7.240 1.00 1.34 C ATOM 359 O TYR A 25 8.875 9.070 -6.304 1.00 1.42 O ATOM 360 CB TYR A 25 8.207 10.909 -9.116 1.00 1.72 C ATOM 361 CG TYR A 25 6.749 11.041 -8.744 1.00 1.09 C ATOM 362 CD1 TYR A 25 6.258 10.433 -7.581 1.00 1.62 C ATOM 363 CD2 TYR A 25 5.885 11.777 -9.564 1.00 1.22 C ATOM 364 CE1 TYR A 25 4.907 10.562 -7.239 1.00 1.57 C ATOM 365 CE2 TYR A 25 4.533 11.905 -9.222 1.00 1.27 C ATOM 366 CZ TYR A 25 4.044 11.298 -8.060 1.00 1.08 C ATOM 367 OH TYR A 25 2.712 11.428 -7.723 1.00 1.63 O ATOM 0 H TYR A 25 7.547 8.023 -7.771 1.00 1.23 H new ATOM 0 HA TYR A 25 9.529 9.219 -9.329 1.00 1.38 H new ATOM 0 HB2 TYR A 25 8.781 11.716 -8.661 1.00 1.72 H new ATOM 0 HB3 TYR A 25 8.325 11.003 -10.195 1.00 1.72 H new ATOM 0 HD1 TYR A 25 6.923 9.864 -6.948 1.00 1.62 H new ATOM 0 HD2 TYR A 25 6.262 12.246 -10.461 1.00 1.22 H new ATOM 0 HE1 TYR A 25 4.530 10.094 -6.342 1.00 1.57 H new ATOM 0 HE2 TYR A 25 3.867 12.473 -9.856 1.00 1.27 H new ATOM 0 HH TYR A 25 2.155 11.202 -8.497 1.00 1.63 H new ATOM 377 N GLY A 26 10.325 10.526 -7.082 1.00 1.33 N ATOM 378 CA GLY A 26 10.930 10.713 -5.733 1.00 1.32 C ATOM 379 C GLY A 26 12.004 9.652 -5.494 1.00 1.25 C ATOM 380 O GLY A 26 12.687 9.664 -4.489 1.00 1.70 O ATOM 0 H GLY A 26 10.746 11.080 -7.828 1.00 1.33 H new ATOM 0 HA2 GLY A 26 11.366 11.709 -5.655 1.00 1.32 H new ATOM 0 HA3 GLY A 26 10.159 10.642 -4.966 1.00 1.32 H new ATOM 384 N THR A 27 12.164 8.731 -6.406 1.00 0.93 N ATOM 385 CA THR A 27 13.198 7.676 -6.216 1.00 0.90 C ATOM 386 C THR A 27 14.344 7.898 -7.209 1.00 0.92 C ATOM 387 O THR A 27 14.706 9.018 -7.511 1.00 0.97 O ATOM 388 CB THR A 27 12.549 6.301 -6.445 1.00 0.88 C ATOM 389 OG1 THR A 27 13.423 5.454 -7.172 1.00 0.73 O ATOM 390 CG2 THR A 27 11.248 6.473 -7.230 1.00 0.95 C ATOM 0 H THR A 27 11.626 8.664 -7.270 1.00 0.93 H new ATOM 0 HA THR A 27 13.601 7.721 -5.204 1.00 0.90 H new ATOM 0 HB THR A 27 12.341 5.849 -5.475 1.00 0.88 H new ATOM 0 HG1 THR A 27 13.248 5.549 -8.132 1.00 0.73 H new ATOM 0 HG21 THR A 27 10.789 5.498 -7.392 1.00 0.95 H new ATOM 0 HG22 THR A 27 10.564 7.107 -6.666 1.00 0.95 H new ATOM 0 HG23 THR A 27 11.463 6.937 -8.193 1.00 0.95 H new ATOM 398 N SER A 28 14.906 6.844 -7.724 1.00 1.12 N ATOM 399 CA SER A 28 16.016 6.986 -8.706 1.00 1.40 C ATOM 400 C SER A 28 15.431 7.013 -10.118 1.00 1.29 C ATOM 401 O SER A 28 14.309 7.430 -10.327 1.00 0.98 O ATOM 402 CB SER A 28 16.975 5.803 -8.571 1.00 1.80 C ATOM 403 OG SER A 28 16.275 4.598 -8.853 1.00 1.73 O ATOM 0 H SER A 28 14.643 5.883 -7.506 1.00 1.12 H new ATOM 0 HA SER A 28 16.560 7.911 -8.515 1.00 1.40 H new ATOM 0 HB2 SER A 28 17.814 5.919 -9.257 1.00 1.80 H new ATOM 0 HB3 SER A 28 17.390 5.769 -7.564 1.00 1.80 H new ATOM 0 HG SER A 28 16.467 4.316 -9.772 1.00 1.73 H new ATOM 409 N GLU A 29 16.178 6.563 -11.087 1.00 1.62 N ATOM 410 CA GLU A 29 15.659 6.551 -12.482 1.00 1.60 C ATOM 411 C GLU A 29 14.967 5.207 -12.749 1.00 1.23 C ATOM 412 O GLU A 29 15.616 4.184 -12.829 1.00 1.37 O ATOM 413 CB GLU A 29 16.824 6.724 -13.459 1.00 2.07 C ATOM 414 CG GLU A 29 17.369 8.150 -13.356 1.00 1.86 C ATOM 415 CD GLU A 29 16.783 9.004 -14.481 1.00 1.99 C ATOM 416 OE1 GLU A 29 17.168 8.793 -15.620 1.00 2.35 O ATOM 417 OE2 GLU A 29 15.959 9.854 -14.186 1.00 2.40 O ATOM 0 H GLU A 29 17.126 6.203 -10.973 1.00 1.62 H new ATOM 0 HA GLU A 29 14.947 7.365 -12.617 1.00 1.60 H new ATOM 0 HB2 GLU A 29 17.612 6.005 -13.233 1.00 2.07 H new ATOM 0 HB3 GLU A 29 16.491 6.523 -14.477 1.00 2.07 H new ATOM 0 HG2 GLU A 29 17.112 8.580 -12.388 1.00 1.86 H new ATOM 0 HG3 GLU A 29 18.457 8.140 -13.422 1.00 1.86 H new ATOM 424 N PRO A 30 13.664 5.200 -12.886 1.00 0.95 N ATOM 425 CA PRO A 30 12.901 3.947 -13.147 1.00 0.81 C ATOM 426 C PRO A 30 13.040 3.497 -14.603 1.00 0.80 C ATOM 427 O PRO A 30 13.091 4.309 -15.506 1.00 0.86 O ATOM 428 CB PRO A 30 11.454 4.331 -12.843 1.00 0.94 C ATOM 429 CG PRO A 30 11.377 5.805 -13.066 1.00 1.13 C ATOM 430 CD PRO A 30 12.777 6.373 -12.814 1.00 1.10 C ATOM 0 HA PRO A 30 13.261 3.113 -12.544 1.00 0.81 H new ATOM 0 HB2 PRO A 30 10.762 3.799 -13.495 1.00 0.94 H new ATOM 0 HB3 PRO A 30 11.187 4.075 -11.818 1.00 0.94 H new ATOM 0 HG2 PRO A 30 11.050 6.024 -14.082 1.00 1.13 H new ATOM 0 HG3 PRO A 30 10.650 6.259 -12.392 1.00 1.13 H new ATOM 0 HD2 PRO A 30 13.044 7.120 -13.562 1.00 1.10 H new ATOM 0 HD3 PRO A 30 12.840 6.860 -11.841 1.00 1.10 H new ATOM 438 N VAL A 31 13.112 2.216 -14.848 1.00 0.80 N ATOM 439 CA VAL A 31 13.259 1.753 -16.258 1.00 0.82 C ATOM 440 C VAL A 31 12.497 0.444 -16.478 1.00 0.78 C ATOM 441 O VAL A 31 12.755 -0.552 -15.831 1.00 0.84 O ATOM 442 CB VAL A 31 14.742 1.533 -16.565 1.00 0.92 C ATOM 443 CG1 VAL A 31 14.919 1.265 -18.060 1.00 0.99 C ATOM 444 CG2 VAL A 31 15.533 2.783 -16.174 1.00 1.05 C ATOM 0 H VAL A 31 13.076 1.479 -14.144 1.00 0.80 H new ATOM 0 HA VAL A 31 12.848 2.513 -16.922 1.00 0.82 H new ATOM 0 HB VAL A 31 15.108 0.678 -15.997 1.00 0.92 H new ATOM 0 HG11 VAL A 31 15.975 1.108 -18.279 1.00 0.99 H new ATOM 0 HG12 VAL A 31 14.355 0.375 -18.339 1.00 0.99 H new ATOM 0 HG13 VAL A 31 14.554 2.120 -18.629 1.00 0.99 H new ATOM 0 HG21 VAL A 31 16.590 2.628 -16.392 1.00 1.05 H new ATOM 0 HG22 VAL A 31 15.167 3.638 -16.742 1.00 1.05 H new ATOM 0 HG23 VAL A 31 15.407 2.975 -15.108 1.00 1.05 H new ATOM 454 N PHE A 32 11.575 0.439 -17.406 1.00 0.74 N ATOM 455 CA PHE A 32 10.805 -0.804 -17.697 1.00 0.77 C ATOM 456 C PHE A 32 11.646 -1.719 -18.589 1.00 0.87 C ATOM 457 O PHE A 32 11.526 -1.712 -19.798 1.00 1.19 O ATOM 458 CB PHE A 32 9.493 -0.447 -18.402 1.00 0.78 C ATOM 459 CG PHE A 32 9.658 0.834 -19.184 1.00 0.93 C ATOM 460 CD1 PHE A 32 10.882 1.144 -19.788 1.00 1.63 C ATOM 461 CD2 PHE A 32 8.577 1.716 -19.305 1.00 1.50 C ATOM 462 CE1 PHE A 32 11.025 2.334 -20.512 1.00 1.82 C ATOM 463 CE2 PHE A 32 8.719 2.906 -20.027 1.00 1.78 C ATOM 464 CZ PHE A 32 9.943 3.215 -20.631 1.00 1.56 C ATOM 0 H PHE A 32 11.322 1.246 -17.976 1.00 0.74 H new ATOM 0 HA PHE A 32 10.575 -1.319 -16.765 1.00 0.77 H new ATOM 0 HB2 PHE A 32 9.199 -1.256 -19.071 1.00 0.78 H new ATOM 0 HB3 PHE A 32 8.695 -0.334 -17.668 1.00 0.78 H new ATOM 0 HD1 PHE A 32 11.717 0.465 -19.696 1.00 1.63 H new ATOM 0 HD2 PHE A 32 7.632 1.477 -18.840 1.00 1.50 H new ATOM 0 HE1 PHE A 32 11.969 2.572 -20.978 1.00 1.82 H new ATOM 0 HE2 PHE A 32 7.885 3.586 -20.118 1.00 1.78 H new ATOM 0 HZ PHE A 32 10.053 4.133 -21.189 1.00 1.56 H new ATOM 474 N ALA A 33 12.506 -2.501 -17.994 1.00 0.77 N ATOM 475 CA ALA A 33 13.370 -3.413 -18.797 1.00 0.84 C ATOM 476 C ALA A 33 12.502 -4.311 -19.682 1.00 0.67 C ATOM 477 O ALA A 33 11.513 -3.882 -20.241 1.00 0.92 O ATOM 478 CB ALA A 33 14.204 -4.282 -17.855 1.00 1.17 C ATOM 0 H ALA A 33 12.648 -2.548 -16.985 1.00 0.77 H new ATOM 0 HA ALA A 33 14.029 -2.817 -19.429 1.00 0.84 H new ATOM 0 HB1 ALA A 33 14.836 -4.950 -18.440 1.00 1.17 H new ATOM 0 HB2 ALA A 33 14.830 -3.645 -17.230 1.00 1.17 H new ATOM 0 HB3 ALA A 33 13.541 -4.872 -17.222 1.00 1.17 H new ATOM 484 N ASP A 34 12.867 -5.558 -19.813 1.00 0.77 N ATOM 485 CA ASP A 34 12.066 -6.483 -20.662 1.00 0.85 C ATOM 486 C ASP A 34 10.584 -6.336 -20.315 1.00 0.84 C ATOM 487 O ASP A 34 9.798 -5.845 -21.101 1.00 0.99 O ATOM 488 CB ASP A 34 12.510 -7.924 -20.405 1.00 1.13 C ATOM 489 CG ASP A 34 11.826 -8.857 -21.406 1.00 1.54 C ATOM 490 OD1 ASP A 34 10.636 -9.083 -21.256 1.00 2.21 O ATOM 491 OD2 ASP A 34 12.502 -9.328 -22.305 1.00 1.78 O ATOM 0 H ASP A 34 13.685 -5.975 -19.369 1.00 0.77 H new ATOM 0 HA ASP A 34 12.220 -6.238 -21.713 1.00 0.85 H new ATOM 0 HB2 ASP A 34 13.593 -8.004 -20.499 1.00 1.13 H new ATOM 0 HB3 ASP A 34 12.256 -8.217 -19.386 1.00 1.13 H new ATOM 496 N GLY A 35 10.197 -6.757 -19.143 1.00 0.84 N ATOM 497 CA GLY A 35 8.767 -6.640 -18.746 1.00 1.02 C ATOM 498 C GLY A 35 8.678 -6.307 -17.255 1.00 0.90 C ATOM 499 O GLY A 35 7.879 -6.865 -16.531 1.00 1.19 O ATOM 0 H GLY A 35 10.809 -7.177 -18.444 1.00 0.84 H new ATOM 0 HA2 GLY A 35 8.278 -5.863 -19.333 1.00 1.02 H new ATOM 0 HA3 GLY A 35 8.243 -7.573 -18.953 1.00 1.02 H new ATOM 503 N ARG A 36 9.493 -5.398 -16.792 1.00 0.66 N ATOM 504 CA ARG A 36 9.454 -5.032 -15.348 1.00 0.63 C ATOM 505 C ARG A 36 10.157 -3.691 -15.139 1.00 0.62 C ATOM 506 O ARG A 36 11.126 -3.376 -15.800 1.00 0.68 O ATOM 507 CB ARG A 36 10.170 -6.107 -14.529 1.00 0.70 C ATOM 508 CG ARG A 36 11.242 -6.778 -15.391 1.00 1.16 C ATOM 509 CD ARG A 36 12.204 -7.559 -14.493 1.00 1.40 C ATOM 510 NE ARG A 36 11.628 -8.900 -14.195 1.00 2.02 N ATOM 511 CZ ARG A 36 12.386 -9.841 -13.702 1.00 2.19 C ATOM 512 NH1 ARG A 36 13.649 -9.606 -13.468 1.00 2.28 N ATOM 513 NH2 ARG A 36 11.881 -11.016 -13.442 1.00 2.91 N ATOM 0 H ARG A 36 10.182 -4.894 -17.350 1.00 0.66 H new ATOM 0 HA ARG A 36 8.416 -4.955 -15.025 1.00 0.63 H new ATOM 0 HB2 ARG A 36 10.626 -5.662 -13.645 1.00 0.70 H new ATOM 0 HB3 ARG A 36 9.453 -6.850 -14.178 1.00 0.70 H new ATOM 0 HG2 ARG A 36 10.776 -7.449 -16.113 1.00 1.16 H new ATOM 0 HG3 ARG A 36 11.789 -6.027 -15.961 1.00 1.16 H new ATOM 0 HD2 ARG A 36 13.170 -7.668 -14.985 1.00 1.40 H new ATOM 0 HD3 ARG A 36 12.378 -7.012 -13.566 1.00 1.40 H new ATOM 0 HE ARG A 36 10.641 -9.083 -14.376 1.00 2.02 H new ATOM 0 HH11 ARG A 36 14.043 -8.687 -13.671 1.00 2.28 H new ATOM 0 HH12 ARG A 36 14.242 -10.341 -13.083 1.00 2.28 H new ATOM 0 HH21 ARG A 36 10.894 -11.199 -13.624 1.00 2.91 H new ATOM 0 HH22 ARG A 36 12.473 -11.752 -13.057 1.00 2.91 H new ATOM 527 N MET A 37 9.681 -2.901 -14.216 1.00 0.63 N ATOM 528 CA MET A 37 10.328 -1.585 -13.958 1.00 0.67 C ATOM 529 C MET A 37 11.001 -1.621 -12.589 1.00 0.68 C ATOM 530 O MET A 37 10.423 -2.057 -11.612 1.00 0.67 O ATOM 531 CB MET A 37 9.273 -0.477 -13.986 1.00 0.71 C ATOM 532 CG MET A 37 9.938 0.868 -13.685 1.00 0.75 C ATOM 533 SD MET A 37 10.039 1.103 -11.893 1.00 0.88 S ATOM 534 CE MET A 37 8.265 1.289 -11.588 1.00 0.93 C ATOM 0 H MET A 37 8.873 -3.110 -13.630 1.00 0.63 H new ATOM 0 HA MET A 37 11.073 -1.385 -14.728 1.00 0.67 H new ATOM 0 HB2 MET A 37 8.789 -0.445 -14.962 1.00 0.71 H new ATOM 0 HB3 MET A 37 8.495 -0.683 -13.251 1.00 0.71 H new ATOM 0 HG2 MET A 37 10.935 0.899 -14.123 1.00 0.75 H new ATOM 0 HG3 MET A 37 9.366 1.678 -14.137 1.00 0.75 H new ATOM 0 HE1 MET A 37 8.105 2.047 -10.821 1.00 0.93 H new ATOM 0 HE2 MET A 37 7.768 1.594 -12.509 1.00 0.93 H new ATOM 0 HE3 MET A 37 7.852 0.338 -11.251 1.00 0.93 H new ATOM 544 N CYS A 38 12.224 -1.176 -12.509 1.00 0.73 N ATOM 545 CA CYS A 38 12.930 -1.202 -11.200 1.00 0.78 C ATOM 546 C CYS A 38 13.407 0.203 -10.828 1.00 0.89 C ATOM 547 O CYS A 38 13.673 1.031 -11.678 1.00 0.88 O ATOM 548 CB CYS A 38 14.131 -2.144 -11.291 1.00 0.79 C ATOM 549 SG CYS A 38 13.548 -3.833 -11.582 1.00 1.06 S ATOM 0 H CYS A 38 12.762 -0.798 -13.289 1.00 0.73 H new ATOM 0 HA CYS A 38 12.243 -1.555 -10.431 1.00 0.78 H new ATOM 0 HB2 CYS A 38 14.792 -1.831 -12.099 1.00 0.79 H new ATOM 0 HB3 CYS A 38 14.712 -2.101 -10.369 1.00 0.79 H new ATOM 554 N VAL A 39 13.519 0.462 -9.553 1.00 1.04 N ATOM 555 CA VAL A 39 13.984 1.798 -9.086 1.00 1.18 C ATOM 556 C VAL A 39 15.014 1.589 -7.973 1.00 1.37 C ATOM 557 O VAL A 39 14.703 1.064 -6.922 1.00 1.26 O ATOM 558 CB VAL A 39 12.795 2.591 -8.535 1.00 1.18 C ATOM 559 CG1 VAL A 39 11.966 3.141 -9.696 1.00 1.26 C ATOM 560 CG2 VAL A 39 11.924 1.672 -7.677 1.00 1.26 C ATOM 0 H VAL A 39 13.306 -0.202 -8.809 1.00 1.04 H new ATOM 0 HA VAL A 39 14.429 2.350 -9.914 1.00 1.18 H new ATOM 0 HB VAL A 39 13.161 3.418 -7.927 1.00 1.18 H new ATOM 0 HG11 VAL A 39 11.120 3.705 -9.304 1.00 1.26 H new ATOM 0 HG12 VAL A 39 12.586 3.796 -10.308 1.00 1.26 H new ATOM 0 HG13 VAL A 39 11.600 2.315 -10.305 1.00 1.26 H new ATOM 0 HG21 VAL A 39 11.078 2.235 -7.284 1.00 1.26 H new ATOM 0 HG22 VAL A 39 11.558 0.845 -8.285 1.00 1.26 H new ATOM 0 HG23 VAL A 39 12.514 1.280 -6.849 1.00 1.26 H new ATOM 570 N ASP A 40 16.237 1.982 -8.194 1.00 1.71 N ATOM 571 CA ASP A 40 17.279 1.788 -7.145 1.00 1.97 C ATOM 572 C ASP A 40 17.047 2.767 -5.992 1.00 1.61 C ATOM 573 O ASP A 40 17.008 3.965 -6.183 1.00 2.31 O ATOM 574 CB ASP A 40 18.663 2.036 -7.751 1.00 3.21 C ATOM 575 CG ASP A 40 18.795 1.254 -9.059 1.00 4.09 C ATOM 576 OD1 ASP A 40 18.257 1.709 -10.055 1.00 4.79 O ATOM 577 OD2 ASP A 40 19.432 0.213 -9.042 1.00 4.39 O ATOM 0 H ASP A 40 16.561 2.428 -9.052 1.00 1.71 H new ATOM 0 HA ASP A 40 17.220 0.768 -6.766 1.00 1.97 H new ATOM 0 HB2 ASP A 40 18.805 3.101 -7.936 1.00 3.21 H new ATOM 0 HB3 ASP A 40 19.439 1.727 -7.051 1.00 3.21 H new ATOM 582 N LEU A 41 16.905 2.266 -4.791 1.00 1.25 N ATOM 583 CA LEU A 41 16.686 3.172 -3.625 1.00 1.86 C ATOM 584 C LEU A 41 17.617 2.784 -2.470 1.00 1.67 C ATOM 585 O LEU A 41 17.160 2.437 -1.397 1.00 1.20 O ATOM 586 CB LEU A 41 15.234 3.053 -3.141 1.00 2.45 C ATOM 587 CG LEU A 41 14.338 4.072 -3.852 1.00 2.88 C ATOM 588 CD1 LEU A 41 14.883 5.487 -3.644 1.00 2.65 C ATOM 589 CD2 LEU A 41 14.288 3.757 -5.348 1.00 3.54 C ATOM 0 H LEU A 41 16.931 1.271 -4.569 1.00 1.25 H new ATOM 0 HA LEU A 41 16.895 4.195 -3.939 1.00 1.86 H new ATOM 0 HB2 LEU A 41 14.865 2.045 -3.328 1.00 2.45 H new ATOM 0 HB3 LEU A 41 15.191 3.213 -2.064 1.00 2.45 H new ATOM 0 HG LEU A 41 13.333 4.013 -3.434 1.00 2.88 H new ATOM 0 HD11 LEU A 41 14.239 6.204 -4.153 1.00 2.65 H new ATOM 0 HD12 LEU A 41 14.907 5.715 -2.578 1.00 2.65 H new ATOM 0 HD13 LEU A 41 15.892 5.552 -4.052 1.00 2.65 H new ATOM 0 HD21 LEU A 41 13.650 4.483 -5.852 1.00 3.54 H new ATOM 0 HD22 LEU A 41 15.294 3.808 -5.764 1.00 3.54 H new ATOM 0 HD23 LEU A 41 13.884 2.755 -5.496 1.00 3.54 H new ATOM 601 N PRO A 42 18.908 2.846 -2.677 1.00 2.30 N ATOM 602 CA PRO A 42 19.921 2.517 -1.640 1.00 2.32 C ATOM 603 C PRO A 42 20.428 3.766 -0.910 1.00 1.85 C ATOM 604 O PRO A 42 20.579 3.777 0.294 1.00 2.18 O ATOM 605 CB PRO A 42 21.042 1.919 -2.482 1.00 3.11 C ATOM 606 CG PRO A 42 21.008 2.697 -3.760 1.00 3.74 C ATOM 607 CD PRO A 42 19.575 3.224 -3.932 1.00 3.24 C ATOM 0 HA PRO A 42 19.532 1.866 -0.857 1.00 2.32 H new ATOM 0 HB2 PRO A 42 22.007 2.016 -1.984 1.00 3.11 H new ATOM 0 HB3 PRO A 42 20.880 0.856 -2.660 1.00 3.11 H new ATOM 0 HG2 PRO A 42 21.720 3.522 -3.728 1.00 3.74 H new ATOM 0 HG3 PRO A 42 21.290 2.066 -4.603 1.00 3.74 H new ATOM 0 HD2 PRO A 42 19.561 4.303 -4.083 1.00 3.24 H new ATOM 0 HD3 PRO A 42 19.085 2.775 -4.796 1.00 3.24 H new ATOM 615 N GLY A 43 20.702 4.806 -1.656 1.00 1.69 N ATOM 616 CA GLY A 43 21.220 6.082 -1.073 1.00 1.65 C ATOM 617 C GLY A 43 20.990 6.150 0.439 1.00 1.62 C ATOM 618 O GLY A 43 21.647 5.477 1.210 1.00 2.03 O ATOM 0 H GLY A 43 20.586 4.824 -2.669 1.00 1.69 H new ATOM 0 HA2 GLY A 43 22.286 6.171 -1.283 1.00 1.65 H new ATOM 0 HA3 GLY A 43 20.728 6.928 -1.554 1.00 1.65 H new ATOM 622 N GLY A 44 20.077 6.977 0.869 1.00 1.61 N ATOM 623 CA GLY A 44 19.813 7.112 2.329 1.00 2.13 C ATOM 624 C GLY A 44 18.561 7.967 2.537 1.00 2.06 C ATOM 625 O GLY A 44 18.613 9.026 3.129 1.00 2.41 O ATOM 0 H GLY A 44 19.500 7.567 0.269 1.00 1.61 H new ATOM 0 HA2 GLY A 44 19.675 6.129 2.778 1.00 2.13 H new ATOM 0 HA3 GLY A 44 20.668 7.572 2.824 1.00 2.13 H new ATOM 629 N GLN A 45 17.435 7.521 2.048 1.00 1.86 N ATOM 630 CA GLN A 45 16.183 8.313 2.209 1.00 1.96 C ATOM 631 C GLN A 45 15.364 7.752 3.373 1.00 1.90 C ATOM 632 O GLN A 45 14.629 6.796 3.223 1.00 1.92 O ATOM 633 CB GLN A 45 15.362 8.218 0.922 1.00 2.10 C ATOM 634 CG GLN A 45 15.783 9.333 -0.038 1.00 2.29 C ATOM 635 CD GLN A 45 14.746 10.457 -0.002 1.00 2.34 C ATOM 636 OE1 GLN A 45 14.596 11.129 0.999 1.00 2.96 O ATOM 637 NE2 GLN A 45 14.020 10.692 -1.060 1.00 2.07 N ATOM 0 H GLN A 45 17.329 6.641 1.543 1.00 1.86 H new ATOM 0 HA GLN A 45 16.434 9.354 2.413 1.00 1.96 H new ATOM 0 HB2 GLN A 45 15.512 7.245 0.454 1.00 2.10 H new ATOM 0 HB3 GLN A 45 14.299 8.302 1.149 1.00 2.10 H new ATOM 0 HG2 GLN A 45 16.763 9.719 0.243 1.00 2.29 H new ATOM 0 HG3 GLN A 45 15.874 8.940 -1.051 1.00 2.29 H new ATOM 0 HE21 GLN A 45 14.146 10.128 -1.900 1.00 2.07 H new ATOM 0 HE22 GLN A 45 13.327 11.440 -1.047 1.00 2.07 H new ATOM 646 N GLY A 46 15.482 8.340 4.531 1.00 2.04 N ATOM 647 CA GLY A 46 14.708 7.841 5.704 1.00 2.08 C ATOM 648 C GLY A 46 13.362 8.563 5.777 1.00 2.01 C ATOM 649 O GLY A 46 13.045 9.209 6.756 1.00 2.08 O ATOM 0 H GLY A 46 16.081 9.145 4.717 1.00 2.04 H new ATOM 0 HA2 GLY A 46 14.551 6.766 5.618 1.00 2.08 H new ATOM 0 HA3 GLY A 46 15.272 8.008 6.622 1.00 2.08 H new ATOM 653 N ASN A 47 12.565 8.458 4.749 1.00 2.09 N ATOM 654 CA ASN A 47 11.239 9.137 4.760 1.00 2.14 C ATOM 655 C ASN A 47 10.265 8.369 3.862 1.00 1.80 C ATOM 656 O ASN A 47 10.161 8.631 2.680 1.00 1.63 O ATOM 657 CB ASN A 47 11.391 10.568 4.244 1.00 2.60 C ATOM 658 CG ASN A 47 12.544 10.631 3.241 1.00 2.84 C ATOM 659 OD1 ASN A 47 12.745 9.627 2.433 1.00 2.65 O flip ATOM 660 ND2 ASN A 47 13.271 11.604 3.192 1.00 3.61 N flip ATOM 0 H ASN A 47 12.775 7.931 3.901 1.00 2.09 H new ATOM 0 HA ASN A 47 10.852 9.160 5.779 1.00 2.14 H new ATOM 0 HB2 ASN A 47 10.465 10.895 3.771 1.00 2.60 H new ATOM 0 HB3 ASN A 47 11.581 11.247 5.075 1.00 2.60 H new ATOM 0 HD21 ASN A 47 13.115 12.390 3.823 1.00 3.61 H new ATOM 0 HD22 ASN A 47 14.037 11.635 2.519 1.00 3.61 H new ATOM 667 N PRO A 48 9.561 7.425 4.425 1.00 1.85 N ATOM 668 CA PRO A 48 8.575 6.593 3.676 1.00 1.74 C ATOM 669 C PRO A 48 7.610 7.438 2.841 1.00 1.36 C ATOM 670 O PRO A 48 6.713 6.922 2.204 1.00 1.19 O ATOM 671 CB PRO A 48 7.815 5.847 4.775 1.00 2.19 C ATOM 672 CG PRO A 48 8.742 5.806 5.944 1.00 2.36 C ATOM 673 CD PRO A 48 9.630 7.047 5.846 1.00 2.21 C ATOM 0 HA PRO A 48 9.069 5.934 2.962 1.00 1.74 H new ATOM 0 HB2 PRO A 48 6.887 6.360 5.028 1.00 2.19 H new ATOM 0 HB3 PRO A 48 7.546 4.841 4.452 1.00 2.19 H new ATOM 0 HG2 PRO A 48 8.184 5.803 6.880 1.00 2.36 H new ATOM 0 HG3 PRO A 48 9.344 4.897 5.929 1.00 2.36 H new ATOM 0 HD2 PRO A 48 9.268 7.848 6.490 1.00 2.21 H new ATOM 0 HD3 PRO A 48 10.654 6.830 6.152 1.00 2.21 H new ATOM 681 N TRP A 49 7.785 8.731 2.836 1.00 1.49 N ATOM 682 CA TRP A 49 6.873 9.600 2.039 1.00 1.39 C ATOM 683 C TRP A 49 7.698 10.513 1.131 1.00 1.17 C ATOM 684 O TRP A 49 7.334 11.643 0.873 1.00 1.45 O ATOM 685 CB TRP A 49 6.020 10.448 2.986 1.00 1.79 C ATOM 686 CG TRP A 49 6.777 10.701 4.251 1.00 1.85 C ATOM 687 CD1 TRP A 49 6.519 10.109 5.440 1.00 1.69 C ATOM 688 CD2 TRP A 49 7.903 11.598 4.476 1.00 2.46 C ATOM 689 NE1 TRP A 49 7.415 10.584 6.380 1.00 1.97 N ATOM 690 CE2 TRP A 49 8.289 11.504 5.835 1.00 2.36 C ATOM 691 CE3 TRP A 49 8.620 12.472 3.642 1.00 3.27 C ATOM 692 CZ2 TRP A 49 9.349 12.254 6.347 1.00 2.90 C ATOM 693 CZ3 TRP A 49 9.686 13.229 4.153 1.00 3.87 C ATOM 694 CH2 TRP A 49 10.051 13.120 5.502 1.00 3.62 C ATOM 0 H TRP A 49 8.518 9.222 3.348 1.00 1.49 H new ATOM 0 HA TRP A 49 6.222 8.977 1.426 1.00 1.39 H new ATOM 0 HB2 TRP A 49 5.761 11.394 2.510 1.00 1.79 H new ATOM 0 HB3 TRP A 49 5.084 9.935 3.207 1.00 1.79 H new ATOM 0 HD1 TRP A 49 5.740 9.384 5.625 1.00 1.69 H new ATOM 0 HE1 TRP A 49 7.429 10.291 7.357 1.00 1.97 H new ATOM 0 HE3 TRP A 49 8.349 12.562 2.600 1.00 3.27 H new ATOM 0 HZ2 TRP A 49 9.625 12.166 7.387 1.00 2.90 H new ATOM 0 HZ3 TRP A 49 10.228 13.900 3.503 1.00 3.87 H new ATOM 0 HH2 TRP A 49 10.873 13.704 5.889 1.00 3.62 H new ATOM 705 N ASP A 50 8.808 10.030 0.639 1.00 1.07 N ATOM 706 CA ASP A 50 9.655 10.868 -0.254 1.00 1.36 C ATOM 707 C ASP A 50 9.589 10.323 -1.683 1.00 1.21 C ATOM 708 O ASP A 50 10.175 10.872 -2.594 1.00 1.27 O ATOM 709 CB ASP A 50 11.105 10.831 0.234 1.00 1.73 C ATOM 710 CG ASP A 50 11.341 11.969 1.228 1.00 2.02 C ATOM 711 OD1 ASP A 50 10.449 12.235 2.017 1.00 2.38 O ATOM 712 OD2 ASP A 50 12.409 12.556 1.185 1.00 2.14 O ATOM 0 H ASP A 50 9.163 9.091 0.818 1.00 1.07 H new ATOM 0 HA ASP A 50 9.290 11.895 -0.238 1.00 1.36 H new ATOM 0 HB2 ASP A 50 11.316 9.872 0.707 1.00 1.73 H new ATOM 0 HB3 ASP A 50 11.786 10.926 -0.611 1.00 1.73 H new ATOM 717 N ALA A 51 8.883 9.244 -1.887 1.00 1.09 N ATOM 718 CA ALA A 51 8.788 8.668 -3.258 1.00 1.02 C ATOM 719 C ALA A 51 7.848 7.461 -3.246 1.00 0.89 C ATOM 720 O ALA A 51 7.416 7.008 -2.204 1.00 0.87 O ATOM 721 CB ALA A 51 10.178 8.224 -3.716 1.00 1.11 C ATOM 0 H ALA A 51 8.369 8.738 -1.166 1.00 1.09 H new ATOM 0 HA ALA A 51 8.398 9.422 -3.942 1.00 1.02 H new ATOM 0 HB1 ALA A 51 10.113 7.802 -4.719 1.00 1.11 H new ATOM 0 HB2 ALA A 51 10.849 9.083 -3.727 1.00 1.11 H new ATOM 0 HB3 ALA A 51 10.564 7.470 -3.029 1.00 1.11 H new ATOM 727 N GLY A 52 7.530 6.934 -4.398 1.00 0.86 N ATOM 728 CA GLY A 52 6.620 5.753 -4.450 1.00 0.86 C ATOM 729 C GLY A 52 5.724 5.846 -5.686 1.00 0.87 C ATOM 730 O GLY A 52 5.781 6.798 -6.437 1.00 0.94 O ATOM 0 H GLY A 52 7.860 7.269 -5.303 1.00 0.86 H new ATOM 0 HA2 GLY A 52 7.204 4.833 -4.481 1.00 0.86 H new ATOM 0 HA3 GLY A 52 6.009 5.713 -3.548 1.00 0.86 H new ATOM 734 N LEU A 53 4.892 4.861 -5.899 1.00 0.83 N ATOM 735 CA LEU A 53 3.989 4.894 -7.083 1.00 0.84 C ATOM 736 C LEU A 53 2.699 5.624 -6.712 1.00 0.79 C ATOM 737 O LEU A 53 2.552 6.124 -5.614 1.00 0.78 O ATOM 738 CB LEU A 53 3.648 3.470 -7.521 1.00 0.85 C ATOM 739 CG LEU A 53 4.892 2.583 -7.443 1.00 0.90 C ATOM 740 CD1 LEU A 53 4.598 1.247 -8.126 1.00 0.90 C ATOM 741 CD2 LEU A 53 6.062 3.266 -8.154 1.00 0.96 C ATOM 0 H LEU A 53 4.800 4.037 -5.305 1.00 0.83 H new ATOM 0 HA LEU A 53 4.491 5.412 -7.900 1.00 0.84 H new ATOM 0 HB2 LEU A 53 2.862 3.064 -6.884 1.00 0.85 H new ATOM 0 HB3 LEU A 53 3.261 3.478 -8.540 1.00 0.85 H new ATOM 0 HG LEU A 53 5.153 2.417 -6.398 1.00 0.90 H new ATOM 0 HD11 LEU A 53 5.481 0.610 -8.074 1.00 0.90 H new ATOM 0 HD12 LEU A 53 3.766 0.756 -7.622 1.00 0.90 H new ATOM 0 HD13 LEU A 53 4.338 1.422 -9.170 1.00 0.90 H new ATOM 0 HD21 LEU A 53 6.945 2.630 -8.095 1.00 0.96 H new ATOM 0 HD22 LEU A 53 5.804 3.434 -9.200 1.00 0.96 H new ATOM 0 HD23 LEU A 53 6.271 4.222 -7.674 1.00 0.96 H new ATOM 753 N VAL A 54 1.758 5.688 -7.615 1.00 0.79 N ATOM 754 CA VAL A 54 0.481 6.389 -7.305 1.00 0.78 C ATOM 755 C VAL A 54 -0.589 6.006 -8.330 1.00 0.80 C ATOM 756 O VAL A 54 -0.293 5.504 -9.396 1.00 0.90 O ATOM 757 CB VAL A 54 0.693 7.907 -7.345 1.00 0.89 C ATOM 758 CG1 VAL A 54 0.234 8.522 -6.021 1.00 0.92 C ATOM 759 CG2 VAL A 54 2.174 8.234 -7.565 1.00 0.92 C ATOM 0 H VAL A 54 1.819 5.286 -8.551 1.00 0.79 H new ATOM 0 HA VAL A 54 0.154 6.092 -6.308 1.00 0.78 H new ATOM 0 HB VAL A 54 0.111 8.320 -8.169 1.00 0.89 H new ATOM 0 HG11 VAL A 54 0.385 9.601 -6.049 1.00 0.92 H new ATOM 0 HG12 VAL A 54 -0.824 8.307 -5.867 1.00 0.92 H new ATOM 0 HG13 VAL A 54 0.813 8.096 -5.202 1.00 0.92 H new ATOM 0 HG21 VAL A 54 2.308 9.315 -7.591 1.00 0.92 H new ATOM 0 HG22 VAL A 54 2.764 7.815 -6.750 1.00 0.92 H new ATOM 0 HG23 VAL A 54 2.505 7.805 -8.511 1.00 0.92 H new ATOM 769 N TYR A 55 -1.832 6.252 -8.011 1.00 0.78 N ATOM 770 CA TYR A 55 -2.934 5.920 -8.957 1.00 0.82 C ATOM 771 C TYR A 55 -4.279 6.215 -8.290 1.00 0.81 C ATOM 772 O TYR A 55 -4.438 6.058 -7.095 1.00 1.06 O ATOM 773 CB TYR A 55 -2.870 4.439 -9.334 1.00 0.83 C ATOM 774 CG TYR A 55 -4.136 4.058 -10.066 1.00 0.97 C ATOM 775 CD1 TYR A 55 -4.488 4.726 -11.244 1.00 1.59 C ATOM 776 CD2 TYR A 55 -4.960 3.044 -9.562 1.00 1.54 C ATOM 777 CE1 TYR A 55 -5.665 4.383 -11.920 1.00 1.70 C ATOM 778 CE2 TYR A 55 -6.136 2.698 -10.239 1.00 1.71 C ATOM 779 CZ TYR A 55 -6.488 3.369 -11.417 1.00 1.37 C ATOM 780 OH TYR A 55 -7.650 3.032 -12.081 1.00 1.61 O ATOM 0 H TYR A 55 -2.132 6.671 -7.131 1.00 0.78 H new ATOM 0 HA TYR A 55 -2.827 6.524 -9.858 1.00 0.82 H new ATOM 0 HB2 TYR A 55 -2.001 4.249 -9.963 1.00 0.83 H new ATOM 0 HB3 TYR A 55 -2.755 3.828 -8.439 1.00 0.83 H new ATOM 0 HD1 TYR A 55 -3.851 5.507 -11.632 1.00 1.59 H new ATOM 0 HD2 TYR A 55 -4.689 2.529 -8.652 1.00 1.54 H new ATOM 0 HE1 TYR A 55 -5.937 4.900 -12.828 1.00 1.70 H new ATOM 0 HE2 TYR A 55 -6.771 1.914 -9.853 1.00 1.71 H new ATOM 0 HH TYR A 55 -7.763 3.617 -12.859 1.00 1.61 H new ATOM 790 N ASN A 56 -5.248 6.643 -9.052 1.00 0.93 N ATOM 791 CA ASN A 56 -6.580 6.949 -8.467 1.00 1.01 C ATOM 792 C ASN A 56 -7.610 5.947 -8.991 1.00 1.28 C ATOM 793 O ASN A 56 -7.267 4.917 -9.536 1.00 2.04 O ATOM 794 CB ASN A 56 -6.991 8.366 -8.869 1.00 1.81 C ATOM 795 CG ASN A 56 -6.497 9.360 -7.818 1.00 2.22 C ATOM 796 OD1 ASN A 56 -6.943 10.490 -7.777 1.00 2.78 O ATOM 797 ND2 ASN A 56 -5.587 8.986 -6.960 1.00 2.47 N ATOM 0 H ASN A 56 -5.172 6.794 -10.058 1.00 0.93 H new ATOM 0 HA ASN A 56 -6.530 6.878 -7.381 1.00 1.01 H new ATOM 0 HB2 ASN A 56 -6.572 8.614 -9.844 1.00 1.81 H new ATOM 0 HB3 ASN A 56 -8.075 8.429 -8.962 1.00 1.81 H new ATOM 0 HD21 ASN A 56 -5.250 9.642 -6.255 1.00 2.47 H new ATOM 0 HD22 ASN A 56 -5.213 8.038 -6.994 1.00 2.47 H new ATOM 804 N GLY A 57 -8.872 6.241 -8.831 1.00 1.18 N ATOM 805 CA GLY A 57 -9.923 5.305 -9.322 1.00 1.77 C ATOM 806 C GLY A 57 -9.936 4.045 -8.454 1.00 1.64 C ATOM 807 O GLY A 57 -9.789 2.943 -8.941 1.00 2.48 O ATOM 0 H GLY A 57 -9.220 7.088 -8.382 1.00 1.18 H new ATOM 0 HA2 GLY A 57 -10.899 5.790 -9.291 1.00 1.77 H new ATOM 0 HA3 GLY A 57 -9.731 5.040 -10.362 1.00 1.77 H new ATOM 811 N VAL A 58 -10.111 4.201 -7.169 1.00 1.34 N ATOM 812 CA VAL A 58 -10.135 3.011 -6.272 1.00 1.99 C ATOM 813 C VAL A 58 -11.421 3.026 -5.443 1.00 1.78 C ATOM 814 O VAL A 58 -11.477 3.614 -4.381 1.00 1.95 O ATOM 815 CB VAL A 58 -8.924 3.054 -5.337 1.00 2.93 C ATOM 816 CG1 VAL A 58 -9.081 4.211 -4.349 1.00 3.79 C ATOM 817 CG2 VAL A 58 -8.832 1.736 -4.566 1.00 2.88 C ATOM 0 H VAL A 58 -10.238 5.099 -6.703 1.00 1.34 H new ATOM 0 HA VAL A 58 -10.099 2.101 -6.871 1.00 1.99 H new ATOM 0 HB VAL A 58 -8.017 3.199 -5.924 1.00 2.93 H new ATOM 0 HG11 VAL A 58 -8.218 4.241 -3.684 1.00 3.79 H new ATOM 0 HG12 VAL A 58 -9.149 5.151 -4.897 1.00 3.79 H new ATOM 0 HG13 VAL A 58 -9.988 4.067 -3.761 1.00 3.79 H new ATOM 0 HG21 VAL A 58 -7.970 1.764 -3.899 1.00 2.88 H new ATOM 0 HG22 VAL A 58 -9.740 1.593 -3.980 1.00 2.88 H new ATOM 0 HG23 VAL A 58 -8.720 0.910 -5.269 1.00 2.88 H new ATOM 827 N PRO A 59 -12.450 2.384 -5.930 1.00 1.85 N ATOM 828 CA PRO A 59 -13.763 2.320 -5.231 1.00 1.84 C ATOM 829 C PRO A 59 -13.778 1.267 -4.119 1.00 1.90 C ATOM 830 O PRO A 59 -13.379 0.136 -4.315 1.00 2.05 O ATOM 831 CB PRO A 59 -14.739 1.939 -6.344 1.00 2.07 C ATOM 832 CG PRO A 59 -13.928 1.179 -7.343 1.00 2.39 C ATOM 833 CD PRO A 59 -12.475 1.647 -7.203 1.00 2.40 C ATOM 0 HA PRO A 59 -14.008 3.259 -4.735 1.00 1.84 H new ATOM 0 HB2 PRO A 59 -15.557 1.330 -5.958 1.00 2.07 H new ATOM 0 HB3 PRO A 59 -15.186 2.825 -6.794 1.00 2.07 H new ATOM 0 HG2 PRO A 59 -14.005 0.107 -7.164 1.00 2.39 H new ATOM 0 HG3 PRO A 59 -14.294 1.361 -8.353 1.00 2.39 H new ATOM 0 HD2 PRO A 59 -11.785 0.803 -7.187 1.00 2.40 H new ATOM 0 HD3 PRO A 59 -12.180 2.284 -8.037 1.00 2.40 H new ATOM 841 N VAL A 60 -14.237 1.631 -2.953 1.00 2.10 N ATOM 842 CA VAL A 60 -14.277 0.652 -1.831 1.00 2.46 C ATOM 843 C VAL A 60 -15.552 0.866 -1.013 1.00 2.53 C ATOM 844 O VAL A 60 -15.729 1.886 -0.377 1.00 2.50 O ATOM 845 CB VAL A 60 -13.055 0.854 -0.933 1.00 2.79 C ATOM 846 CG1 VAL A 60 -13.295 0.173 0.416 1.00 3.08 C ATOM 847 CG2 VAL A 60 -11.824 0.239 -1.602 1.00 2.93 C ATOM 0 H VAL A 60 -14.586 2.563 -2.729 1.00 2.10 H new ATOM 0 HA VAL A 60 -14.269 -0.361 -2.233 1.00 2.46 H new ATOM 0 HB VAL A 60 -12.890 1.920 -0.778 1.00 2.79 H new ATOM 0 HG11 VAL A 60 -12.425 0.317 1.056 1.00 3.08 H new ATOM 0 HG12 VAL A 60 -14.172 0.610 0.893 1.00 3.08 H new ATOM 0 HG13 VAL A 60 -13.459 -0.893 0.261 1.00 3.08 H new ATOM 0 HG21 VAL A 60 -10.953 0.382 -0.963 1.00 2.93 H new ATOM 0 HG22 VAL A 60 -11.989 -0.827 -1.757 1.00 2.93 H new ATOM 0 HG23 VAL A 60 -11.652 0.723 -2.563 1.00 2.93 H new ATOM 857 N GLY A 61 -16.443 -0.089 -1.023 1.00 2.83 N ATOM 858 CA GLY A 61 -17.705 0.061 -0.246 1.00 3.05 C ATOM 859 C GLY A 61 -17.531 -0.566 1.138 1.00 2.72 C ATOM 860 O GLY A 61 -17.418 -1.769 1.275 1.00 2.61 O ATOM 0 H GLY A 61 -16.351 -0.966 -1.536 1.00 2.83 H new ATOM 0 HA2 GLY A 61 -17.961 1.116 -0.149 1.00 3.05 H new ATOM 0 HA3 GLY A 61 -18.529 -0.420 -0.774 1.00 3.05 H new ATOM 864 N GLU A 62 -17.510 0.238 2.166 1.00 3.03 N ATOM 865 CA GLU A 62 -17.342 -0.314 3.540 1.00 2.96 C ATOM 866 C GLU A 62 -18.202 -1.571 3.694 1.00 2.29 C ATOM 867 O GLU A 62 -19.277 -1.672 3.137 1.00 2.02 O ATOM 868 CB GLU A 62 -17.781 0.734 4.566 1.00 4.03 C ATOM 869 CG GLU A 62 -18.226 0.038 5.854 1.00 4.32 C ATOM 870 CD GLU A 62 -19.656 -0.479 5.689 1.00 5.32 C ATOM 871 OE1 GLU A 62 -20.351 0.028 4.824 1.00 6.05 O ATOM 872 OE2 GLU A 62 -20.031 -1.373 6.429 1.00 5.54 O ATOM 0 H GLU A 62 -17.602 1.253 2.114 1.00 3.03 H new ATOM 0 HA GLU A 62 -16.295 -0.569 3.705 1.00 2.96 H new ATOM 0 HB2 GLU A 62 -16.959 1.418 4.776 1.00 4.03 H new ATOM 0 HB3 GLU A 62 -18.598 1.332 4.163 1.00 4.03 H new ATOM 0 HG2 GLU A 62 -17.554 -0.789 6.084 1.00 4.32 H new ATOM 0 HG3 GLU A 62 -18.174 0.733 6.692 1.00 4.32 H new ATOM 879 N GLY A 63 -17.737 -2.531 4.446 1.00 2.54 N ATOM 880 CA GLY A 63 -18.528 -3.779 4.637 1.00 2.46 C ATOM 881 C GLY A 63 -17.892 -4.918 3.838 1.00 2.21 C ATOM 882 O GLY A 63 -17.899 -6.059 4.255 1.00 2.29 O ATOM 0 H GLY A 63 -16.843 -2.505 4.936 1.00 2.54 H new ATOM 0 HA2 GLY A 63 -18.565 -4.040 5.695 1.00 2.46 H new ATOM 0 HA3 GLY A 63 -19.556 -3.623 4.311 1.00 2.46 H new ATOM 886 N GLU A 64 -17.342 -4.619 2.693 1.00 2.23 N ATOM 887 CA GLU A 64 -16.708 -5.686 1.870 1.00 2.27 C ATOM 888 C GLU A 64 -15.190 -5.653 2.069 1.00 2.19 C ATOM 889 O GLU A 64 -14.657 -4.769 2.708 1.00 2.81 O ATOM 890 CB GLU A 64 -17.034 -5.446 0.395 1.00 2.70 C ATOM 891 CG GLU A 64 -18.328 -6.178 0.033 1.00 3.18 C ATOM 892 CD GLU A 64 -18.918 -5.571 -1.242 1.00 3.59 C ATOM 893 OE1 GLU A 64 -18.158 -5.327 -2.165 1.00 3.92 O ATOM 894 OE2 GLU A 64 -20.119 -5.360 -1.273 1.00 4.03 O ATOM 0 H GLU A 64 -17.305 -3.682 2.292 1.00 2.23 H new ATOM 0 HA GLU A 64 -17.091 -6.659 2.176 1.00 2.27 H new ATOM 0 HB2 GLU A 64 -17.142 -4.378 0.204 1.00 2.70 H new ATOM 0 HB3 GLU A 64 -16.216 -5.800 -0.232 1.00 2.70 H new ATOM 0 HG2 GLU A 64 -18.129 -7.239 -0.115 1.00 3.18 H new ATOM 0 HG3 GLU A 64 -19.044 -6.099 0.851 1.00 3.18 H new ATOM 901 N SER A 65 -14.492 -6.612 1.525 1.00 1.71 N ATOM 902 CA SER A 65 -13.010 -6.637 1.680 1.00 1.83 C ATOM 903 C SER A 65 -12.354 -6.598 0.300 1.00 1.49 C ATOM 904 O SER A 65 -12.851 -7.169 -0.650 1.00 1.87 O ATOM 905 CB SER A 65 -12.595 -7.917 2.406 1.00 2.37 C ATOM 906 OG SER A 65 -13.009 -7.843 3.764 1.00 2.91 O ATOM 0 H SER A 65 -14.884 -7.380 0.980 1.00 1.71 H new ATOM 0 HA SER A 65 -12.690 -5.771 2.260 1.00 1.83 H new ATOM 0 HB2 SER A 65 -13.045 -8.785 1.923 1.00 2.37 H new ATOM 0 HB3 SER A 65 -11.514 -8.046 2.350 1.00 2.37 H new ATOM 0 HG SER A 65 -12.746 -8.663 4.231 1.00 2.91 H new ATOM 912 N TYR A 66 -11.241 -5.924 0.177 1.00 1.14 N ATOM 913 CA TYR A 66 -10.561 -5.848 -1.145 1.00 1.22 C ATOM 914 C TYR A 66 -9.272 -6.671 -1.110 1.00 1.63 C ATOM 915 O TYR A 66 -8.943 -7.288 -0.115 1.00 2.01 O ATOM 916 CB TYR A 66 -10.224 -4.391 -1.453 1.00 1.29 C ATOM 917 CG TYR A 66 -11.417 -3.720 -2.090 1.00 1.20 C ATOM 918 CD1 TYR A 66 -12.492 -3.303 -1.296 1.00 1.79 C ATOM 919 CD2 TYR A 66 -11.449 -3.516 -3.475 1.00 1.47 C ATOM 920 CE1 TYR A 66 -13.598 -2.682 -1.886 1.00 1.98 C ATOM 921 CE2 TYR A 66 -12.556 -2.895 -4.065 1.00 1.86 C ATOM 922 CZ TYR A 66 -13.631 -2.478 -3.271 1.00 1.87 C ATOM 923 OH TYR A 66 -14.723 -1.865 -3.852 1.00 2.38 O ATOM 0 H TYR A 66 -10.776 -5.424 0.935 1.00 1.14 H new ATOM 0 HA TYR A 66 -11.221 -6.245 -1.916 1.00 1.22 H new ATOM 0 HB2 TYR A 66 -9.947 -3.870 -0.537 1.00 1.29 H new ATOM 0 HB3 TYR A 66 -9.365 -4.339 -2.122 1.00 1.29 H new ATOM 0 HD1 TYR A 66 -12.467 -3.461 -0.228 1.00 1.79 H new ATOM 0 HD2 TYR A 66 -10.620 -3.838 -4.088 1.00 1.47 H new ATOM 0 HE1 TYR A 66 -14.427 -2.360 -1.273 1.00 1.98 H new ATOM 0 HE2 TYR A 66 -12.581 -2.737 -5.133 1.00 1.86 H new ATOM 0 HH TYR A 66 -14.419 -1.134 -4.430 1.00 2.38 H new ATOM 933 N VAL A 67 -8.541 -6.681 -2.191 1.00 1.69 N ATOM 934 CA VAL A 67 -7.272 -7.461 -2.231 1.00 2.07 C ATOM 935 C VAL A 67 -6.304 -6.814 -3.225 1.00 2.20 C ATOM 936 O VAL A 67 -6.703 -6.072 -4.100 1.00 2.22 O ATOM 937 CB VAL A 67 -7.570 -8.895 -2.675 1.00 2.37 C ATOM 938 CG1 VAL A 67 -6.485 -9.834 -2.147 1.00 2.61 C ATOM 939 CG2 VAL A 67 -8.931 -9.326 -2.122 1.00 2.54 C ATOM 0 H VAL A 67 -8.769 -6.181 -3.050 1.00 1.69 H new ATOM 0 HA VAL A 67 -6.822 -7.471 -1.238 1.00 2.07 H new ATOM 0 HB VAL A 67 -7.587 -8.940 -3.764 1.00 2.37 H new ATOM 0 HG11 VAL A 67 -6.700 -10.854 -2.465 1.00 2.61 H new ATOM 0 HG12 VAL A 67 -5.516 -9.528 -2.541 1.00 2.61 H new ATOM 0 HG13 VAL A 67 -6.464 -9.790 -1.058 1.00 2.61 H new ATOM 0 HG21 VAL A 67 -9.145 -10.347 -2.437 1.00 2.54 H new ATOM 0 HG22 VAL A 67 -8.913 -9.279 -1.033 1.00 2.54 H new ATOM 0 HG23 VAL A 67 -9.706 -8.659 -2.501 1.00 2.54 H new ATOM 949 N LEU A 68 -5.034 -7.088 -3.097 1.00 2.36 N ATOM 950 CA LEU A 68 -4.042 -6.488 -4.034 1.00 2.59 C ATOM 951 C LEU A 68 -2.940 -7.510 -4.331 1.00 2.17 C ATOM 952 O LEU A 68 -2.176 -7.879 -3.462 1.00 2.07 O ATOM 953 CB LEU A 68 -3.423 -5.245 -3.388 1.00 3.01 C ATOM 954 CG LEU A 68 -3.039 -4.232 -4.468 1.00 3.40 C ATOM 955 CD1 LEU A 68 -4.235 -3.326 -4.767 1.00 3.46 C ATOM 956 CD2 LEU A 68 -1.869 -3.380 -3.972 1.00 3.61 C ATOM 0 H LEU A 68 -4.641 -7.702 -2.384 1.00 2.36 H new ATOM 0 HA LEU A 68 -4.539 -6.208 -4.963 1.00 2.59 H new ATOM 0 HB2 LEU A 68 -4.131 -4.796 -2.691 1.00 3.01 H new ATOM 0 HB3 LEU A 68 -2.542 -5.525 -2.811 1.00 3.01 H new ATOM 0 HG LEU A 68 -2.748 -4.761 -5.375 1.00 3.40 H new ATOM 0 HD11 LEU A 68 -3.961 -2.604 -5.537 1.00 3.46 H new ATOM 0 HD12 LEU A 68 -5.071 -3.931 -5.118 1.00 3.46 H new ATOM 0 HD13 LEU A 68 -4.526 -2.796 -3.860 1.00 3.46 H new ATOM 0 HD21 LEU A 68 -1.594 -2.657 -4.740 1.00 3.61 H new ATOM 0 HD22 LEU A 68 -2.163 -2.851 -3.065 1.00 3.61 H new ATOM 0 HD23 LEU A 68 -1.016 -4.023 -3.757 1.00 3.61 H new ATOM 968 N SER A 69 -2.847 -7.965 -5.553 1.00 1.98 N ATOM 969 CA SER A 69 -1.789 -8.958 -5.899 1.00 1.66 C ATOM 970 C SER A 69 -0.740 -8.277 -6.779 1.00 1.53 C ATOM 971 O SER A 69 -0.701 -8.460 -7.980 1.00 1.60 O ATOM 972 CB SER A 69 -2.419 -10.136 -6.639 1.00 1.82 C ATOM 973 OG SER A 69 -3.429 -9.658 -7.516 1.00 2.27 O ATOM 0 H SER A 69 -3.456 -7.692 -6.324 1.00 1.98 H new ATOM 0 HA SER A 69 -1.312 -9.330 -4.992 1.00 1.66 H new ATOM 0 HB2 SER A 69 -1.657 -10.674 -7.203 1.00 1.82 H new ATOM 0 HB3 SER A 69 -2.846 -10.841 -5.926 1.00 1.82 H new ATOM 0 HG SER A 69 -3.400 -10.164 -8.355 1.00 2.27 H new ATOM 979 N PHE A 70 0.099 -7.473 -6.182 1.00 1.38 N ATOM 980 CA PHE A 70 1.138 -6.748 -6.967 1.00 1.30 C ATOM 981 C PHE A 70 2.456 -7.522 -6.978 1.00 1.23 C ATOM 982 O PHE A 70 2.791 -8.214 -6.037 1.00 1.40 O ATOM 983 CB PHE A 70 1.368 -5.366 -6.354 1.00 1.34 C ATOM 984 CG PHE A 70 1.927 -5.517 -4.959 1.00 1.31 C ATOM 985 CD1 PHE A 70 1.074 -5.827 -3.893 1.00 1.23 C ATOM 986 CD2 PHE A 70 3.297 -5.347 -4.732 1.00 1.96 C ATOM 987 CE1 PHE A 70 1.591 -5.966 -2.601 1.00 1.35 C ATOM 988 CE2 PHE A 70 3.816 -5.487 -3.438 1.00 2.01 C ATOM 989 CZ PHE A 70 2.962 -5.796 -2.373 1.00 1.48 C ATOM 0 H PHE A 70 0.109 -7.287 -5.179 1.00 1.38 H new ATOM 0 HA PHE A 70 0.786 -6.649 -7.994 1.00 1.30 H new ATOM 0 HB2 PHE A 70 2.058 -4.793 -6.973 1.00 1.34 H new ATOM 0 HB3 PHE A 70 0.431 -4.810 -6.323 1.00 1.34 H new ATOM 0 HD1 PHE A 70 0.017 -5.959 -4.068 1.00 1.23 H new ATOM 0 HD2 PHE A 70 3.955 -5.108 -5.554 1.00 1.96 H new ATOM 0 HE1 PHE A 70 0.933 -6.205 -1.779 1.00 1.35 H new ATOM 0 HE2 PHE A 70 4.874 -5.357 -3.263 1.00 2.01 H new ATOM 0 HZ PHE A 70 3.361 -5.903 -1.375 1.00 1.48 H new ATOM 999 N THR A 71 3.221 -7.380 -8.026 1.00 1.13 N ATOM 1000 CA THR A 71 4.535 -8.075 -8.102 1.00 1.16 C ATOM 1001 C THR A 71 5.624 -7.109 -7.632 1.00 1.11 C ATOM 1002 O THR A 71 5.641 -5.955 -8.010 1.00 1.39 O ATOM 1003 CB THR A 71 4.815 -8.482 -9.549 1.00 1.26 C ATOM 1004 OG1 THR A 71 4.281 -7.500 -10.424 1.00 1.15 O ATOM 1005 CG2 THR A 71 4.166 -9.836 -9.839 1.00 1.80 C ATOM 0 H THR A 71 2.989 -6.808 -8.838 1.00 1.13 H new ATOM 0 HA THR A 71 4.522 -8.965 -7.473 1.00 1.16 H new ATOM 0 HB THR A 71 5.891 -8.561 -9.703 1.00 1.26 H new ATOM 0 HG1 THR A 71 4.788 -7.499 -11.263 1.00 1.15 H new ATOM 0 HG21 THR A 71 4.368 -10.123 -10.871 1.00 1.80 H new ATOM 0 HG22 THR A 71 4.578 -10.588 -9.166 1.00 1.80 H new ATOM 0 HG23 THR A 71 3.089 -9.763 -9.686 1.00 1.80 H new ATOM 1013 N ALA A 72 6.530 -7.560 -6.811 1.00 0.96 N ATOM 1014 CA ALA A 72 7.602 -6.645 -6.333 1.00 0.87 C ATOM 1015 C ALA A 72 8.657 -7.433 -5.555 1.00 0.81 C ATOM 1016 O ALA A 72 8.344 -8.262 -4.724 1.00 0.85 O ATOM 1017 CB ALA A 72 6.992 -5.580 -5.419 1.00 0.81 C ATOM 0 H ALA A 72 6.575 -8.514 -6.453 1.00 0.96 H new ATOM 0 HA ALA A 72 8.072 -6.169 -7.193 1.00 0.87 H new ATOM 0 HB1 ALA A 72 7.776 -4.909 -5.068 1.00 0.81 H new ATOM 0 HB2 ALA A 72 6.247 -5.009 -5.973 1.00 0.81 H new ATOM 0 HB3 ALA A 72 6.518 -6.062 -4.564 1.00 0.81 H new ATOM 1023 N SER A 73 9.908 -7.171 -5.818 1.00 0.75 N ATOM 1024 CA SER A 73 10.991 -7.892 -5.094 1.00 0.72 C ATOM 1025 C SER A 73 11.998 -6.872 -4.562 1.00 0.64 C ATOM 1026 O SER A 73 12.581 -6.112 -5.310 1.00 0.84 O ATOM 1027 CB SER A 73 11.695 -8.857 -6.049 1.00 0.82 C ATOM 1028 OG SER A 73 12.053 -8.163 -7.236 1.00 0.93 O ATOM 0 H SER A 73 10.227 -6.487 -6.505 1.00 0.75 H new ATOM 0 HA SER A 73 10.565 -8.458 -4.265 1.00 0.72 H new ATOM 0 HB2 SER A 73 12.584 -9.273 -5.575 1.00 0.82 H new ATOM 0 HB3 SER A 73 11.039 -9.695 -6.287 1.00 0.82 H new ATOM 0 HG SER A 73 12.506 -8.778 -7.850 1.00 0.93 H new ATOM 1034 N ALA A 74 12.200 -6.842 -3.274 1.00 0.66 N ATOM 1035 CA ALA A 74 13.163 -5.864 -2.695 1.00 0.59 C ATOM 1036 C ALA A 74 14.521 -6.537 -2.497 1.00 0.61 C ATOM 1037 O ALA A 74 14.606 -7.673 -2.074 1.00 0.67 O ATOM 1038 CB ALA A 74 12.636 -5.372 -1.346 1.00 0.59 C ATOM 0 H ALA A 74 11.740 -7.452 -2.598 1.00 0.66 H new ATOM 0 HA ALA A 74 13.275 -5.019 -3.374 1.00 0.59 H new ATOM 0 HB1 ALA A 74 13.339 -4.656 -0.920 1.00 0.59 H new ATOM 0 HB2 ALA A 74 11.668 -4.890 -1.487 1.00 0.59 H new ATOM 0 HB3 ALA A 74 12.525 -6.218 -0.668 1.00 0.59 H new ATOM 1044 N THR A 75 15.586 -5.846 -2.801 1.00 0.62 N ATOM 1045 CA THR A 75 16.940 -6.441 -2.632 1.00 0.72 C ATOM 1046 C THR A 75 17.845 -5.450 -1.884 1.00 0.72 C ATOM 1047 O THR A 75 18.123 -4.379 -2.385 1.00 0.74 O ATOM 1048 CB THR A 75 17.530 -6.712 -4.016 1.00 0.85 C ATOM 1049 OG1 THR A 75 17.002 -5.773 -4.942 1.00 0.86 O ATOM 1050 CG2 THR A 75 17.166 -8.129 -4.463 1.00 0.97 C ATOM 0 H THR A 75 15.575 -4.891 -3.160 1.00 0.62 H new ATOM 0 HA THR A 75 16.870 -7.368 -2.063 1.00 0.72 H new ATOM 0 HB THR A 75 18.615 -6.616 -3.974 1.00 0.85 H new ATOM 0 HG1 THR A 75 17.379 -5.942 -5.831 1.00 0.86 H new ATOM 0 HG21 THR A 75 17.588 -8.319 -5.450 1.00 0.97 H new ATOM 0 HG22 THR A 75 17.569 -8.850 -3.751 1.00 0.97 H new ATOM 0 HG23 THR A 75 16.082 -8.229 -4.507 1.00 0.97 H new ATOM 1058 N PRO A 76 18.310 -5.781 -0.701 1.00 0.77 N ATOM 1059 CA PRO A 76 18.018 -7.081 -0.014 1.00 0.83 C ATOM 1060 C PRO A 76 16.536 -7.219 0.362 1.00 0.73 C ATOM 1061 O PRO A 76 15.666 -6.770 -0.355 1.00 0.68 O ATOM 1062 CB PRO A 76 18.910 -7.032 1.237 1.00 0.97 C ATOM 1063 CG PRO A 76 19.183 -5.588 1.481 1.00 1.02 C ATOM 1064 CD PRO A 76 19.185 -4.921 0.111 1.00 0.85 C ATOM 0 HA PRO A 76 18.220 -7.941 -0.652 1.00 0.83 H new ATOM 0 HB2 PRO A 76 18.410 -7.486 2.093 1.00 0.97 H new ATOM 0 HB3 PRO A 76 19.836 -7.584 1.079 1.00 0.97 H new ATOM 0 HG2 PRO A 76 18.421 -5.151 2.126 1.00 1.02 H new ATOM 0 HG3 PRO A 76 20.141 -5.452 1.982 1.00 1.02 H new ATOM 0 HD2 PRO A 76 18.806 -3.900 0.163 1.00 0.85 H new ATOM 0 HD3 PRO A 76 20.191 -4.867 -0.306 1.00 0.85 H new ATOM 1072 N ASP A 77 16.231 -7.830 1.473 1.00 0.81 N ATOM 1073 CA ASP A 77 14.801 -7.989 1.865 1.00 0.76 C ATOM 1074 C ASP A 77 14.479 -7.090 3.060 1.00 0.72 C ATOM 1075 O ASP A 77 15.359 -6.615 3.750 1.00 0.78 O ATOM 1076 CB ASP A 77 14.538 -9.448 2.245 1.00 0.91 C ATOM 1077 CG ASP A 77 15.148 -10.369 1.187 1.00 1.09 C ATOM 1078 OD1 ASP A 77 15.495 -9.874 0.127 1.00 1.75 O ATOM 1079 OD2 ASP A 77 15.258 -11.554 1.454 1.00 1.30 O ATOM 0 H ASP A 77 16.908 -8.226 2.126 1.00 0.81 H new ATOM 0 HA ASP A 77 14.168 -7.705 1.024 1.00 0.76 H new ATOM 0 HB2 ASP A 77 14.969 -9.664 3.222 1.00 0.91 H new ATOM 0 HB3 ASP A 77 13.466 -9.627 2.323 1.00 0.91 H new ATOM 1084 N MET A 78 13.218 -6.859 3.306 1.00 0.75 N ATOM 1085 CA MET A 78 12.807 -5.997 4.453 1.00 0.87 C ATOM 1086 C MET A 78 11.337 -5.610 4.274 1.00 0.89 C ATOM 1087 O MET A 78 10.759 -5.817 3.224 1.00 0.93 O ATOM 1088 CB MET A 78 13.672 -4.732 4.489 1.00 1.01 C ATOM 1089 CG MET A 78 14.566 -4.745 5.733 1.00 1.19 C ATOM 1090 SD MET A 78 15.166 -3.067 6.057 1.00 1.83 S ATOM 1091 CE MET A 78 16.341 -2.977 4.683 1.00 2.16 C ATOM 0 H MET A 78 12.446 -7.235 2.755 1.00 0.75 H new ATOM 0 HA MET A 78 12.938 -6.540 5.389 1.00 0.87 H new ATOM 0 HB2 MET A 78 14.286 -4.675 3.590 1.00 1.01 H new ATOM 0 HB3 MET A 78 13.036 -3.847 4.497 1.00 1.01 H new ATOM 0 HG2 MET A 78 14.007 -5.116 6.592 1.00 1.19 H new ATOM 0 HG3 MET A 78 15.407 -5.422 5.583 1.00 1.19 H new ATOM 0 HE1 MET A 78 17.029 -2.148 4.847 1.00 2.16 H new ATOM 0 HE2 MET A 78 16.903 -3.909 4.623 1.00 2.16 H new ATOM 0 HE3 MET A 78 15.799 -2.820 3.750 1.00 2.16 H new ATOM 1101 N PRO A 79 10.731 -5.058 5.291 1.00 0.96 N ATOM 1102 CA PRO A 79 9.302 -4.642 5.248 1.00 1.04 C ATOM 1103 C PRO A 79 9.106 -3.294 4.550 1.00 1.13 C ATOM 1104 O PRO A 79 9.863 -2.364 4.750 1.00 1.28 O ATOM 1105 CB PRO A 79 8.916 -4.544 6.723 1.00 1.12 C ATOM 1106 CG PRO A 79 10.185 -4.241 7.452 1.00 1.38 C ATOM 1107 CD PRO A 79 11.342 -4.768 6.598 1.00 1.11 C ATOM 0 HA PRO A 79 8.691 -5.344 4.680 1.00 1.04 H new ATOM 0 HB2 PRO A 79 8.175 -3.760 6.883 1.00 1.12 H new ATOM 0 HB3 PRO A 79 8.475 -5.476 7.075 1.00 1.12 H new ATOM 0 HG2 PRO A 79 10.287 -3.168 7.616 1.00 1.38 H new ATOM 0 HG3 PRO A 79 10.186 -4.715 8.434 1.00 1.38 H new ATOM 0 HD2 PRO A 79 12.138 -4.029 6.509 1.00 1.11 H new ATOM 0 HD3 PRO A 79 11.784 -5.662 7.037 1.00 1.11 H new ATOM 1115 N VAL A 80 8.096 -3.180 3.730 1.00 1.13 N ATOM 1116 CA VAL A 80 7.854 -1.891 3.021 1.00 1.31 C ATOM 1117 C VAL A 80 6.555 -1.266 3.541 1.00 1.45 C ATOM 1118 O VAL A 80 5.911 -1.798 4.424 1.00 1.98 O ATOM 1119 CB VAL A 80 7.759 -2.144 1.510 1.00 1.56 C ATOM 1120 CG1 VAL A 80 8.399 -3.493 1.174 1.00 2.01 C ATOM 1121 CG2 VAL A 80 6.294 -2.162 1.062 1.00 1.79 C ATOM 0 H VAL A 80 7.429 -3.923 3.521 1.00 1.13 H new ATOM 0 HA VAL A 80 8.680 -1.204 3.208 1.00 1.31 H new ATOM 0 HB VAL A 80 8.283 -1.342 0.990 1.00 1.56 H new ATOM 0 HG11 VAL A 80 8.331 -3.671 0.101 1.00 2.01 H new ATOM 0 HG12 VAL A 80 9.447 -3.483 1.474 1.00 2.01 H new ATOM 0 HG13 VAL A 80 7.876 -4.287 1.707 1.00 2.01 H new ATOM 0 HG21 VAL A 80 6.244 -2.342 -0.012 1.00 1.79 H new ATOM 0 HG22 VAL A 80 5.762 -2.955 1.588 1.00 1.79 H new ATOM 0 HG23 VAL A 80 5.832 -1.202 1.290 1.00 1.79 H new ATOM 1131 N ARG A 81 6.167 -0.140 3.005 1.00 1.48 N ATOM 1132 CA ARG A 81 4.912 0.512 3.476 1.00 1.84 C ATOM 1133 C ARG A 81 3.945 0.681 2.303 1.00 2.04 C ATOM 1134 O ARG A 81 4.343 0.736 1.157 1.00 2.57 O ATOM 1135 CB ARG A 81 5.244 1.885 4.064 1.00 2.24 C ATOM 1136 CG ARG A 81 4.099 2.344 4.970 1.00 2.95 C ATOM 1137 CD ARG A 81 3.941 3.861 4.866 1.00 4.04 C ATOM 1138 NE ARG A 81 2.926 4.324 5.854 1.00 4.81 N ATOM 1139 CZ ARG A 81 2.838 5.591 6.156 1.00 5.14 C ATOM 1140 NH1 ARG A 81 3.639 6.452 5.593 1.00 4.94 N ATOM 1141 NH2 ARG A 81 1.950 5.995 7.022 1.00 6.01 N ATOM 0 H ARG A 81 6.663 0.355 2.264 1.00 1.48 H new ATOM 0 HA ARG A 81 4.446 -0.111 4.239 1.00 1.84 H new ATOM 0 HB2 ARG A 81 6.173 1.834 4.632 1.00 2.24 H new ATOM 0 HB3 ARG A 81 5.400 2.607 3.263 1.00 2.24 H new ATOM 0 HG2 ARG A 81 3.171 1.851 4.679 1.00 2.95 H new ATOM 0 HG3 ARG A 81 4.302 2.059 6.002 1.00 2.95 H new ATOM 0 HD2 ARG A 81 4.897 4.351 5.054 1.00 4.04 H new ATOM 0 HD3 ARG A 81 3.634 4.137 3.857 1.00 4.04 H new ATOM 0 HE ARG A 81 2.300 3.650 6.295 1.00 4.81 H new ATOM 0 HH11 ARG A 81 4.334 6.136 4.917 1.00 4.94 H new ATOM 0 HH12 ARG A 81 3.571 7.442 5.829 1.00 4.94 H new ATOM 0 HH21 ARG A 81 1.324 5.321 7.463 1.00 6.01 H new ATOM 0 HH22 ARG A 81 1.881 6.985 7.258 1.00 6.01 H new ATOM 1155 N VAL A 82 2.673 0.768 2.584 1.00 2.00 N ATOM 1156 CA VAL A 82 1.671 0.938 1.494 1.00 2.41 C ATOM 1157 C VAL A 82 0.427 1.625 2.060 1.00 1.99 C ATOM 1158 O VAL A 82 0.108 1.488 3.224 1.00 1.85 O ATOM 1159 CB VAL A 82 1.285 -0.432 0.933 1.00 3.05 C ATOM 1160 CG1 VAL A 82 0.368 -0.249 -0.278 1.00 3.76 C ATOM 1161 CG2 VAL A 82 2.547 -1.186 0.506 1.00 3.57 C ATOM 0 H VAL A 82 2.284 0.728 3.526 1.00 2.00 H new ATOM 0 HA VAL A 82 2.098 1.546 0.697 1.00 2.41 H new ATOM 0 HB VAL A 82 0.764 -1.003 1.702 1.00 3.05 H new ATOM 0 HG11 VAL A 82 0.093 -1.225 -0.677 1.00 3.76 H new ATOM 0 HG12 VAL A 82 -0.532 0.286 0.025 1.00 3.76 H new ATOM 0 HG13 VAL A 82 0.889 0.323 -1.046 1.00 3.76 H new ATOM 0 HG21 VAL A 82 2.270 -2.162 0.107 1.00 3.57 H new ATOM 0 HG22 VAL A 82 3.070 -0.615 -0.261 1.00 3.57 H new ATOM 0 HG23 VAL A 82 3.201 -1.319 1.368 1.00 3.57 H new ATOM 1171 N LEU A 83 -0.280 2.365 1.250 1.00 2.02 N ATOM 1172 CA LEU A 83 -1.499 3.057 1.754 1.00 1.82 C ATOM 1173 C LEU A 83 -2.547 3.136 0.641 1.00 1.64 C ATOM 1174 O LEU A 83 -2.222 3.254 -0.524 1.00 1.78 O ATOM 1175 CB LEU A 83 -1.131 4.472 2.205 1.00 2.29 C ATOM 1176 CG LEU A 83 -0.435 5.210 1.059 1.00 1.71 C ATOM 1177 CD1 LEU A 83 -1.019 6.618 0.928 1.00 1.99 C ATOM 1178 CD2 LEU A 83 1.064 5.305 1.351 1.00 1.42 C ATOM 0 H LEU A 83 -0.067 2.520 0.265 1.00 2.02 H new ATOM 0 HA LEU A 83 -1.908 2.498 2.596 1.00 1.82 H new ATOM 0 HB2 LEU A 83 -2.027 5.013 2.508 1.00 2.29 H new ATOM 0 HB3 LEU A 83 -0.475 4.429 3.075 1.00 2.29 H new ATOM 0 HG LEU A 83 -0.591 4.665 0.128 1.00 1.71 H new ATOM 0 HD11 LEU A 83 -0.523 7.143 0.112 1.00 1.99 H new ATOM 0 HD12 LEU A 83 -2.087 6.551 0.721 1.00 1.99 H new ATOM 0 HD13 LEU A 83 -0.864 7.164 1.858 1.00 1.99 H new ATOM 0 HD21 LEU A 83 1.561 5.830 0.535 1.00 1.42 H new ATOM 0 HD22 LEU A 83 1.219 5.850 2.282 1.00 1.42 H new ATOM 0 HD23 LEU A 83 1.481 4.302 1.444 1.00 1.42 H new ATOM 1190 N VAL A 84 -3.802 3.075 0.992 1.00 1.54 N ATOM 1191 CA VAL A 84 -4.872 3.149 -0.044 1.00 1.53 C ATOM 1192 C VAL A 84 -6.153 3.704 0.581 1.00 1.46 C ATOM 1193 O VAL A 84 -6.354 3.624 1.777 1.00 1.51 O ATOM 1194 CB VAL A 84 -5.151 1.752 -0.602 1.00 1.58 C ATOM 1195 CG1 VAL A 84 -5.581 1.865 -2.066 1.00 1.89 C ATOM 1196 CG2 VAL A 84 -3.885 0.897 -0.511 1.00 1.84 C ATOM 0 H VAL A 84 -4.133 2.977 1.952 1.00 1.54 H new ATOM 0 HA VAL A 84 -4.542 3.804 -0.850 1.00 1.53 H new ATOM 0 HB VAL A 84 -5.946 1.285 -0.021 1.00 1.58 H new ATOM 0 HG11 VAL A 84 -5.780 0.870 -2.465 1.00 1.89 H new ATOM 0 HG12 VAL A 84 -6.485 2.471 -2.134 1.00 1.89 H new ATOM 0 HG13 VAL A 84 -4.785 2.335 -2.644 1.00 1.89 H new ATOM 0 HG21 VAL A 84 -4.088 -0.097 -0.909 1.00 1.84 H new ATOM 0 HG22 VAL A 84 -3.088 1.364 -1.090 1.00 1.84 H new ATOM 0 HG23 VAL A 84 -3.576 0.814 0.531 1.00 1.84 H new ATOM 1206 N GLY A 85 -7.022 4.262 -0.216 1.00 1.45 N ATOM 1207 CA GLY A 85 -8.290 4.817 0.337 1.00 1.49 C ATOM 1208 C GLY A 85 -8.570 6.183 -0.293 1.00 1.17 C ATOM 1209 O GLY A 85 -8.031 6.525 -1.327 1.00 1.15 O ATOM 0 H GLY A 85 -6.909 4.358 -1.225 1.00 1.45 H new ATOM 0 HA2 GLY A 85 -9.116 4.135 0.134 1.00 1.49 H new ATOM 0 HA3 GLY A 85 -8.215 4.913 1.420 1.00 1.49 H new ATOM 1213 N GLU A 86 -9.412 6.968 0.323 1.00 1.14 N ATOM 1214 CA GLU A 86 -9.727 8.311 -0.238 1.00 1.19 C ATOM 1215 C GLU A 86 -8.745 9.342 0.321 1.00 1.21 C ATOM 1216 O GLU A 86 -7.838 9.011 1.059 1.00 1.63 O ATOM 1217 CB GLU A 86 -11.155 8.703 0.151 1.00 1.44 C ATOM 1218 CG GLU A 86 -11.170 9.208 1.595 1.00 1.42 C ATOM 1219 CD GLU A 86 -10.157 8.416 2.424 1.00 1.91 C ATOM 1220 OE1 GLU A 86 -10.246 7.199 2.424 1.00 2.03 O ATOM 1221 OE2 GLU A 86 -9.310 9.038 3.043 1.00 2.54 O ATOM 0 H GLU A 86 -9.895 6.736 1.191 1.00 1.14 H new ATOM 0 HA GLU A 86 -9.641 8.280 -1.324 1.00 1.19 H new ATOM 0 HB2 GLU A 86 -11.527 9.477 -0.520 1.00 1.44 H new ATOM 0 HB3 GLU A 86 -11.820 7.846 0.047 1.00 1.44 H new ATOM 0 HG2 GLU A 86 -10.927 10.270 1.622 1.00 1.42 H new ATOM 0 HG3 GLU A 86 -12.168 9.098 2.019 1.00 1.42 H new ATOM 1228 N GLY A 87 -8.916 10.588 -0.024 1.00 1.18 N ATOM 1229 CA GLY A 87 -7.990 11.638 0.490 1.00 1.38 C ATOM 1230 C GLY A 87 -8.677 13.003 0.425 1.00 1.20 C ATOM 1231 O GLY A 87 -8.409 13.801 -0.450 1.00 1.26 O ATOM 0 H GLY A 87 -9.656 10.925 -0.639 1.00 1.18 H new ATOM 0 HA2 GLY A 87 -7.702 11.413 1.517 1.00 1.38 H new ATOM 0 HA3 GLY A 87 -7.075 11.652 -0.102 1.00 1.38 H new ATOM 1280 N ARG A 92 -11.351 9.592 5.858 1.00 2.28 N ATOM 1281 CA ARG A 92 -9.960 9.077 5.996 1.00 2.12 C ATOM 1282 C ARG A 92 -9.820 7.767 5.215 1.00 1.84 C ATOM 1283 O ARG A 92 -10.750 7.308 4.584 1.00 2.05 O ATOM 1284 CB ARG A 92 -9.652 8.824 7.473 1.00 2.02 C ATOM 1285 CG ARG A 92 -10.470 9.786 8.338 1.00 2.72 C ATOM 1286 CD ARG A 92 -11.744 9.085 8.812 1.00 3.19 C ATOM 1287 NE ARG A 92 -11.414 8.156 9.930 1.00 4.00 N ATOM 1288 CZ ARG A 92 -12.366 7.678 10.684 1.00 4.78 C ATOM 1289 NH1 ARG A 92 -13.607 8.013 10.460 1.00 4.91 N ATOM 1290 NH2 ARG A 92 -12.075 6.864 11.662 1.00 5.74 N ATOM 0 HA ARG A 92 -9.261 9.813 5.600 1.00 2.12 H new ATOM 0 HB2 ARG A 92 -9.890 7.793 7.733 1.00 2.02 H new ATOM 0 HB3 ARG A 92 -8.588 8.963 7.662 1.00 2.02 H new ATOM 0 HG2 ARG A 92 -9.881 10.112 9.195 1.00 2.72 H new ATOM 0 HG3 ARG A 92 -10.724 10.679 7.767 1.00 2.72 H new ATOM 0 HD2 ARG A 92 -12.476 9.822 9.142 1.00 3.19 H new ATOM 0 HD3 ARG A 92 -12.196 8.533 7.988 1.00 3.19 H new ATOM 0 HE ARG A 92 -10.444 7.894 10.106 1.00 4.00 H new ATOM 0 HH11 ARG A 92 -13.834 8.649 9.695 1.00 4.91 H new ATOM 0 HH12 ARG A 92 -14.351 7.639 11.050 1.00 4.91 H new ATOM 0 HH21 ARG A 92 -11.105 6.602 11.836 1.00 5.74 H new ATOM 0 HH22 ARG A 92 -12.818 6.490 12.252 1.00 5.74 H new ATOM 1304 N THR A 93 -8.662 7.165 5.255 1.00 1.67 N ATOM 1305 CA THR A 93 -8.463 5.886 4.515 1.00 1.74 C ATOM 1306 C THR A 93 -8.512 4.706 5.483 1.00 1.95 C ATOM 1307 O THR A 93 -8.501 4.871 6.688 1.00 2.27 O ATOM 1308 CB THR A 93 -7.101 5.899 3.819 1.00 1.70 C ATOM 1309 OG1 THR A 93 -6.597 4.572 3.758 1.00 2.15 O ATOM 1310 CG2 THR A 93 -6.128 6.775 4.610 1.00 1.74 C ATOM 0 H THR A 93 -7.847 7.503 5.767 1.00 1.67 H new ATOM 0 HA THR A 93 -9.257 5.783 3.775 1.00 1.74 H new ATOM 0 HB THR A 93 -7.210 6.300 2.811 1.00 1.70 H new ATOM 0 HG1 THR A 93 -6.276 4.385 2.851 1.00 2.15 H new ATOM 0 HG21 THR A 93 -5.158 6.783 4.112 1.00 1.74 H new ATOM 0 HG22 THR A 93 -6.516 7.792 4.664 1.00 1.74 H new ATOM 0 HG23 THR A 93 -6.015 6.375 5.618 1.00 1.74 H new ATOM 1318 N ALA A 94 -8.558 3.513 4.958 1.00 2.15 N ATOM 1319 CA ALA A 94 -8.596 2.310 5.832 1.00 2.71 C ATOM 1320 C ALA A 94 -7.435 1.388 5.456 1.00 2.70 C ATOM 1321 O ALA A 94 -7.066 0.504 6.204 1.00 3.18 O ATOM 1322 CB ALA A 94 -9.922 1.574 5.632 1.00 3.28 C ATOM 0 H ALA A 94 -8.571 3.320 3.956 1.00 2.15 H new ATOM 0 HA ALA A 94 -8.507 2.608 6.877 1.00 2.71 H new ATOM 0 HB1 ALA A 94 -9.949 0.693 6.273 1.00 3.28 H new ATOM 0 HB2 ALA A 94 -10.748 2.236 5.891 1.00 3.28 H new ATOM 0 HB3 ALA A 94 -10.015 1.268 4.590 1.00 3.28 H new ATOM 1328 N PHE A 95 -6.856 1.588 4.303 1.00 2.24 N ATOM 1329 CA PHE A 95 -5.719 0.722 3.884 1.00 2.32 C ATOM 1330 C PHE A 95 -4.406 1.351 4.352 1.00 1.89 C ATOM 1331 O PHE A 95 -3.401 1.288 3.672 1.00 2.04 O ATOM 1332 CB PHE A 95 -5.705 0.608 2.359 1.00 2.74 C ATOM 1333 CG PHE A 95 -5.147 -0.735 1.949 1.00 2.97 C ATOM 1334 CD1 PHE A 95 -4.184 -1.371 2.743 1.00 3.34 C ATOM 1335 CD2 PHE A 95 -5.594 -1.344 0.770 1.00 3.27 C ATOM 1336 CE1 PHE A 95 -3.669 -2.614 2.357 1.00 3.65 C ATOM 1337 CE2 PHE A 95 -5.079 -2.588 0.385 1.00 3.55 C ATOM 1338 CZ PHE A 95 -4.117 -3.222 1.179 1.00 3.60 C ATOM 0 H PHE A 95 -7.121 2.312 3.635 1.00 2.24 H new ATOM 0 HA PHE A 95 -5.832 -0.268 4.326 1.00 2.32 H new ATOM 0 HB2 PHE A 95 -6.715 0.727 1.967 1.00 2.74 H new ATOM 0 HB3 PHE A 95 -5.101 1.408 1.931 1.00 2.74 H new ATOM 0 HD1 PHE A 95 -3.839 -0.902 3.653 1.00 3.34 H new ATOM 0 HD2 PHE A 95 -6.336 -0.854 0.157 1.00 3.27 H new ATOM 0 HE1 PHE A 95 -2.926 -3.104 2.968 1.00 3.65 H new ATOM 0 HE2 PHE A 95 -5.424 -3.058 -0.524 1.00 3.55 H new ATOM 0 HZ PHE A 95 -3.720 -4.182 0.882 1.00 3.60 H new ATOM 1348 N GLU A 96 -4.404 1.960 5.504 1.00 1.92 N ATOM 1349 CA GLU A 96 -3.152 2.593 6.005 1.00 2.11 C ATOM 1350 C GLU A 96 -2.279 1.535 6.682 1.00 1.99 C ATOM 1351 O GLU A 96 -2.133 1.517 7.888 1.00 2.04 O ATOM 1352 CB GLU A 96 -3.501 3.689 7.013 1.00 2.46 C ATOM 1353 CG GLU A 96 -4.312 4.784 6.317 1.00 3.05 C ATOM 1354 CD GLU A 96 -4.135 6.106 7.067 1.00 3.87 C ATOM 1355 OE1 GLU A 96 -3.989 6.062 8.277 1.00 4.60 O ATOM 1356 OE2 GLU A 96 -4.150 7.139 6.419 1.00 4.04 O ATOM 0 H GLU A 96 -5.213 2.047 6.119 1.00 1.92 H new ATOM 0 HA GLU A 96 -2.608 3.030 5.168 1.00 2.11 H new ATOM 0 HB2 GLU A 96 -4.073 3.268 7.840 1.00 2.46 H new ATOM 0 HB3 GLU A 96 -2.590 4.111 7.437 1.00 2.46 H new ATOM 0 HG2 GLU A 96 -3.983 4.893 5.284 1.00 3.05 H new ATOM 0 HG3 GLU A 96 -5.366 4.508 6.289 1.00 3.05 H new ATOM 1363 N GLN A 97 -1.698 0.651 5.918 1.00 2.12 N ATOM 1364 CA GLN A 97 -0.836 -0.404 6.521 1.00 2.35 C ATOM 1365 C GLN A 97 0.634 -0.008 6.372 1.00 2.76 C ATOM 1366 O GLN A 97 0.971 0.901 5.639 1.00 3.44 O ATOM 1367 CB GLN A 97 -1.082 -1.736 5.806 1.00 2.59 C ATOM 1368 CG GLN A 97 -0.197 -1.822 4.561 1.00 2.67 C ATOM 1369 CD GLN A 97 -0.601 -3.040 3.730 1.00 2.83 C ATOM 1370 OE1 GLN A 97 -0.732 -2.919 2.437 1.00 2.75 O flip ATOM 1371 NE2 GLN A 97 -0.801 -4.115 4.261 1.00 3.46 N flip ATOM 0 H GLN A 97 -1.783 0.614 4.902 1.00 2.12 H new ATOM 0 HA GLN A 97 -1.078 -0.510 7.578 1.00 2.35 H new ATOM 0 HB2 GLN A 97 -0.864 -2.566 6.478 1.00 2.59 H new ATOM 0 HB3 GLN A 97 -2.132 -1.821 5.525 1.00 2.59 H new ATOM 0 HG2 GLN A 97 -0.298 -0.914 3.967 1.00 2.67 H new ATOM 0 HG3 GLN A 97 0.851 -1.898 4.851 1.00 2.67 H new ATOM 0 HE21 GLN A 97 -0.699 -4.212 5.271 1.00 3.46 H new ATOM 0 HE22 GLN A 97 -1.071 -4.920 3.696 1.00 3.46 H new ATOM 1380 N GLY A 98 1.514 -0.682 7.061 1.00 2.66 N ATOM 1381 CA GLY A 98 2.961 -0.341 6.957 1.00 3.12 C ATOM 1382 C GLY A 98 3.802 -1.612 7.099 1.00 2.94 C ATOM 1383 O GLY A 98 5.012 -1.558 7.198 1.00 3.67 O ATOM 0 H GLY A 98 1.294 -1.453 7.691 1.00 2.66 H new ATOM 0 HA2 GLY A 98 3.164 0.136 5.998 1.00 3.12 H new ATOM 0 HA3 GLY A 98 3.233 0.375 7.733 1.00 3.12 H new ATOM 1387 N SER A 99 3.172 -2.756 7.111 1.00 2.31 N ATOM 1388 CA SER A 99 3.937 -4.025 7.250 1.00 2.54 C ATOM 1389 C SER A 99 3.768 -4.868 5.985 1.00 2.05 C ATOM 1390 O SER A 99 2.821 -5.619 5.850 1.00 1.87 O ATOM 1391 CB SER A 99 3.404 -4.801 8.454 1.00 3.04 C ATOM 1392 OG SER A 99 4.134 -4.429 9.615 1.00 3.79 O ATOM 0 H SER A 99 2.161 -2.865 7.030 1.00 2.31 H new ATOM 0 HA SER A 99 4.994 -3.801 7.394 1.00 2.54 H new ATOM 0 HB2 SER A 99 2.344 -4.592 8.595 1.00 3.04 H new ATOM 0 HB3 SER A 99 3.497 -5.873 8.280 1.00 3.04 H new ATOM 0 HG SER A 99 3.793 -4.924 10.389 1.00 3.79 H new ATOM 1398 N ALA A 100 4.678 -4.754 5.055 1.00 1.96 N ATOM 1399 CA ALA A 100 4.566 -5.552 3.802 1.00 1.63 C ATOM 1400 C ALA A 100 5.923 -6.179 3.473 1.00 1.41 C ATOM 1401 O ALA A 100 6.701 -5.634 2.716 1.00 1.39 O ATOM 1402 CB ALA A 100 4.130 -4.639 2.654 1.00 1.76 C ATOM 0 H ALA A 100 5.493 -4.143 5.110 1.00 1.96 H new ATOM 0 HA ALA A 100 3.827 -6.341 3.938 1.00 1.63 H new ATOM 0 HB1 ALA A 100 4.048 -5.222 1.737 1.00 1.76 H new ATOM 0 HB2 ALA A 100 3.163 -4.195 2.890 1.00 1.76 H new ATOM 0 HB3 ALA A 100 4.868 -3.849 2.517 1.00 1.76 H new ATOM 1408 N PRO A 101 6.199 -7.318 4.046 1.00 1.67 N ATOM 1409 CA PRO A 101 7.481 -8.048 3.825 1.00 1.70 C ATOM 1410 C PRO A 101 7.756 -8.312 2.342 1.00 1.06 C ATOM 1411 O PRO A 101 6.895 -8.760 1.610 1.00 1.45 O ATOM 1412 CB PRO A 101 7.292 -9.371 4.572 1.00 2.69 C ATOM 1413 CG PRO A 101 6.204 -9.125 5.565 1.00 2.97 C ATOM 1414 CD PRO A 101 5.310 -8.036 4.973 1.00 2.35 C ATOM 0 HA PRO A 101 8.333 -7.467 4.178 1.00 1.70 H new ATOM 0 HB2 PRO A 101 7.021 -10.173 3.885 1.00 2.69 H new ATOM 0 HB3 PRO A 101 8.213 -9.675 5.069 1.00 2.69 H new ATOM 0 HG2 PRO A 101 5.635 -10.036 5.749 1.00 2.97 H new ATOM 0 HG3 PRO A 101 6.618 -8.809 6.522 1.00 2.97 H new ATOM 0 HD2 PRO A 101 4.451 -8.462 4.454 1.00 2.35 H new ATOM 0 HD3 PRO A 101 4.920 -7.374 5.746 1.00 2.35 H new ATOM 1422 N LEU A 102 8.953 -8.044 1.896 1.00 0.99 N ATOM 1423 CA LEU A 102 9.291 -8.284 0.464 1.00 1.10 C ATOM 1424 C LEU A 102 10.771 -8.653 0.350 1.00 0.93 C ATOM 1425 O LEU A 102 11.638 -7.922 0.786 1.00 1.33 O ATOM 1426 CB LEU A 102 9.016 -7.018 -0.350 1.00 2.00 C ATOM 1427 CG LEU A 102 7.576 -7.045 -0.866 1.00 2.39 C ATOM 1428 CD1 LEU A 102 7.198 -5.663 -1.406 1.00 3.06 C ATOM 1429 CD2 LEU A 102 7.458 -8.081 -1.986 1.00 2.31 C ATOM 0 H LEU A 102 9.713 -7.668 2.463 1.00 0.99 H new ATOM 0 HA LEU A 102 8.679 -9.099 0.078 1.00 1.10 H new ATOM 0 HB2 LEU A 102 9.176 -6.134 0.268 1.00 2.00 H new ATOM 0 HB3 LEU A 102 9.712 -6.952 -1.186 1.00 2.00 H new ATOM 0 HG LEU A 102 6.903 -7.310 -0.051 1.00 2.39 H new ATOM 0 HD11 LEU A 102 6.172 -5.684 -1.773 1.00 3.06 H new ATOM 0 HD12 LEU A 102 7.283 -4.925 -0.608 1.00 3.06 H new ATOM 0 HD13 LEU A 102 7.870 -5.395 -2.221 1.00 3.06 H new ATOM 0 HD21 LEU A 102 6.433 -8.102 -2.355 1.00 2.31 H new ATOM 0 HD22 LEU A 102 8.132 -7.815 -2.800 1.00 2.31 H new ATOM 0 HD23 LEU A 102 7.725 -9.065 -1.601 1.00 2.31 H new ATOM 1441 N THR A 103 11.069 -9.783 -0.233 1.00 1.21 N ATOM 1442 CA THR A 103 12.495 -10.195 -0.370 1.00 1.09 C ATOM 1443 C THR A 103 12.870 -10.262 -1.852 1.00 1.38 C ATOM 1444 O THR A 103 12.041 -10.077 -2.721 1.00 1.81 O ATOM 1445 CB THR A 103 12.690 -11.573 0.266 1.00 1.79 C ATOM 1446 OG1 THR A 103 13.875 -12.165 -0.246 1.00 2.04 O ATOM 1447 CG2 THR A 103 11.490 -12.463 -0.062 1.00 2.34 C ATOM 0 H THR A 103 10.388 -10.437 -0.619 1.00 1.21 H new ATOM 0 HA THR A 103 13.132 -9.467 0.132 1.00 1.09 H new ATOM 0 HB THR A 103 12.775 -11.466 1.347 1.00 1.79 H new ATOM 0 HG1 THR A 103 14.454 -12.433 0.498 1.00 2.04 H new ATOM 0 HG21 THR A 103 11.630 -13.444 0.391 1.00 2.34 H new ATOM 0 HG22 THR A 103 10.581 -12.008 0.331 1.00 2.34 H new ATOM 0 HG23 THR A 103 11.403 -12.572 -1.143 1.00 2.34 H new ATOM 1455 N GLY A 104 14.113 -10.525 -2.146 1.00 1.62 N ATOM 1456 CA GLY A 104 14.542 -10.605 -3.571 1.00 2.17 C ATOM 1457 C GLY A 104 13.894 -11.825 -4.229 1.00 1.60 C ATOM 1458 O GLY A 104 14.467 -12.449 -5.100 1.00 1.83 O ATOM 0 H GLY A 104 14.851 -10.688 -1.461 1.00 1.62 H new ATOM 0 HA2 GLY A 104 14.254 -9.697 -4.100 1.00 2.17 H new ATOM 0 HA3 GLY A 104 15.628 -10.679 -3.632 1.00 2.17 H new ATOM 1462 N GLU A 105 12.705 -12.169 -3.818 1.00 1.22 N ATOM 1463 CA GLU A 105 12.019 -13.347 -4.418 1.00 1.09 C ATOM 1464 C GLU A 105 10.832 -12.869 -5.260 1.00 1.06 C ATOM 1465 O GLU A 105 9.754 -12.643 -4.748 1.00 1.08 O ATOM 1466 CB GLU A 105 11.514 -14.263 -3.302 1.00 1.40 C ATOM 1467 CG GLU A 105 11.459 -15.705 -3.810 1.00 1.95 C ATOM 1468 CD GLU A 105 10.939 -16.619 -2.697 1.00 2.43 C ATOM 1469 OE1 GLU A 105 9.775 -16.496 -2.352 1.00 2.75 O ATOM 1470 OE2 GLU A 105 11.714 -17.426 -2.211 1.00 3.02 O ATOM 0 H GLU A 105 12.178 -11.684 -3.091 1.00 1.22 H new ATOM 0 HA GLU A 105 12.718 -13.894 -5.050 1.00 1.09 H new ATOM 0 HB2 GLU A 105 12.173 -14.196 -2.436 1.00 1.40 H new ATOM 0 HB3 GLU A 105 10.525 -13.944 -2.975 1.00 1.40 H new ATOM 0 HG2 GLU A 105 10.808 -15.770 -4.682 1.00 1.95 H new ATOM 0 HG3 GLU A 105 12.451 -16.028 -4.127 1.00 1.95 H new ATOM 1477 N PRO A 106 11.030 -12.714 -6.542 1.00 1.08 N ATOM 1478 CA PRO A 106 9.959 -12.251 -7.469 1.00 1.12 C ATOM 1479 C PRO A 106 8.643 -13.003 -7.256 1.00 1.24 C ATOM 1480 O PRO A 106 8.567 -14.204 -7.420 1.00 1.42 O ATOM 1481 CB PRO A 106 10.526 -12.549 -8.858 1.00 1.26 C ATOM 1482 CG PRO A 106 12.010 -12.527 -8.690 1.00 1.20 C ATOM 1483 CD PRO A 106 12.297 -12.963 -7.251 1.00 1.13 C ATOM 0 HA PRO A 106 9.717 -11.200 -7.314 1.00 1.12 H new ATOM 0 HB2 PRO A 106 10.186 -13.518 -9.222 1.00 1.26 H new ATOM 0 HB3 PRO A 106 10.201 -11.804 -9.584 1.00 1.26 H new ATOM 0 HG2 PRO A 106 12.490 -13.200 -9.401 1.00 1.20 H new ATOM 0 HG3 PRO A 106 12.406 -11.529 -8.878 1.00 1.20 H new ATOM 0 HD2 PRO A 106 12.582 -14.014 -7.202 1.00 1.13 H new ATOM 0 HD3 PRO A 106 13.116 -12.390 -6.817 1.00 1.13 H new ATOM 1491 N ALA A 107 7.604 -12.303 -6.890 1.00 1.17 N ATOM 1492 CA ALA A 107 6.293 -12.973 -6.664 1.00 1.31 C ATOM 1493 C ALA A 107 5.231 -11.915 -6.350 1.00 1.24 C ATOM 1494 O ALA A 107 5.542 -10.771 -6.085 1.00 1.04 O ATOM 1495 CB ALA A 107 6.413 -13.947 -5.491 1.00 1.37 C ATOM 0 H ALA A 107 7.607 -11.294 -6.738 1.00 1.17 H new ATOM 0 HA ALA A 107 6.003 -13.523 -7.559 1.00 1.31 H new ATOM 0 HB1 ALA A 107 5.454 -14.437 -5.326 1.00 1.37 H new ATOM 0 HB2 ALA A 107 7.170 -14.698 -5.718 1.00 1.37 H new ATOM 0 HB3 ALA A 107 6.701 -13.401 -4.593 1.00 1.37 H new ATOM 1501 N THR A 108 3.980 -12.287 -6.384 1.00 1.45 N ATOM 1502 CA THR A 108 2.902 -11.300 -6.096 1.00 1.43 C ATOM 1503 C THR A 108 2.573 -11.294 -4.603 1.00 1.38 C ATOM 1504 O THR A 108 2.595 -12.316 -3.948 1.00 1.47 O ATOM 1505 CB THR A 108 1.644 -11.674 -6.883 1.00 1.60 C ATOM 1506 OG1 THR A 108 1.608 -13.082 -7.070 1.00 1.72 O ATOM 1507 CG2 THR A 108 1.656 -10.978 -8.244 1.00 1.66 C ATOM 0 H THR A 108 3.659 -13.231 -6.599 1.00 1.45 H new ATOM 0 HA THR A 108 3.246 -10.309 -6.391 1.00 1.43 H new ATOM 0 HB THR A 108 0.763 -11.355 -6.327 1.00 1.60 H new ATOM 0 HG1 THR A 108 0.802 -13.325 -7.572 1.00 1.72 H new ATOM 0 HG21 THR A 108 0.758 -11.249 -8.799 1.00 1.66 H new ATOM 0 HG22 THR A 108 1.682 -9.898 -8.100 1.00 1.66 H new ATOM 0 HG23 THR A 108 2.537 -11.291 -8.805 1.00 1.66 H new ATOM 1515 N ARG A 109 2.236 -10.151 -4.066 1.00 1.33 N ATOM 1516 CA ARG A 109 1.869 -10.089 -2.624 1.00 1.32 C ATOM 1517 C ARG A 109 0.368 -9.849 -2.538 1.00 1.37 C ATOM 1518 O ARG A 109 -0.184 -9.074 -3.291 1.00 1.49 O ATOM 1519 CB ARG A 109 2.598 -8.944 -1.928 1.00 1.27 C ATOM 1520 CG ARG A 109 3.812 -9.478 -1.162 1.00 1.97 C ATOM 1521 CD ARG A 109 4.506 -10.573 -1.974 1.00 2.63 C ATOM 1522 NE ARG A 109 4.073 -11.909 -1.473 1.00 3.48 N ATOM 1523 CZ ARG A 109 4.286 -12.976 -2.192 1.00 3.74 C ATOM 1524 NH1 ARG A 109 4.868 -12.873 -3.354 1.00 3.39 N ATOM 1525 NH2 ARG A 109 3.913 -14.145 -1.750 1.00 4.70 N ATOM 0 H ARG A 109 2.200 -9.261 -4.563 1.00 1.33 H new ATOM 0 HA ARG A 109 2.150 -11.021 -2.134 1.00 1.32 H new ATOM 0 HB2 ARG A 109 2.919 -8.207 -2.664 1.00 1.27 H new ATOM 0 HB3 ARG A 109 1.921 -8.436 -1.242 1.00 1.27 H new ATOM 0 HG2 ARG A 109 4.511 -8.666 -0.960 1.00 1.97 H new ATOM 0 HG3 ARG A 109 3.497 -9.875 -0.197 1.00 1.97 H new ATOM 0 HD2 ARG A 109 4.258 -10.470 -3.030 1.00 2.63 H new ATOM 0 HD3 ARG A 109 5.588 -10.474 -1.889 1.00 2.63 H new ATOM 0 HE ARG A 109 3.610 -11.988 -0.568 1.00 3.48 H new ATOM 0 HH11 ARG A 109 5.157 -11.958 -3.701 1.00 3.39 H new ATOM 0 HH12 ARG A 109 5.035 -13.707 -3.917 1.00 3.39 H new ATOM 0 HH21 ARG A 109 3.455 -14.225 -0.842 1.00 4.70 H new ATOM 0 HH22 ARG A 109 4.079 -14.980 -2.312 1.00 4.70 H new ATOM 1539 N GLU A 110 -0.297 -10.509 -1.638 1.00 1.37 N ATOM 1540 CA GLU A 110 -1.772 -10.334 -1.529 1.00 1.51 C ATOM 1541 C GLU A 110 -2.128 -9.563 -0.257 1.00 1.50 C ATOM 1542 O GLU A 110 -2.148 -10.110 0.829 1.00 1.45 O ATOM 1543 CB GLU A 110 -2.437 -11.711 -1.482 1.00 1.79 C ATOM 1544 CG GLU A 110 -3.036 -12.037 -2.851 1.00 2.12 C ATOM 1545 CD GLU A 110 -3.503 -13.494 -2.872 1.00 2.63 C ATOM 1546 OE1 GLU A 110 -2.656 -14.368 -2.784 1.00 2.69 O ATOM 1547 OE2 GLU A 110 -4.699 -13.711 -2.976 1.00 3.28 O ATOM 0 H GLU A 110 0.114 -11.163 -0.972 1.00 1.37 H new ATOM 0 HA GLU A 110 -2.126 -9.772 -2.393 1.00 1.51 H new ATOM 0 HB2 GLU A 110 -1.706 -12.470 -1.203 1.00 1.79 H new ATOM 0 HB3 GLU A 110 -3.216 -11.724 -0.720 1.00 1.79 H new ATOM 0 HG2 GLU A 110 -3.874 -11.373 -3.060 1.00 2.12 H new ATOM 0 HG3 GLU A 110 -2.295 -11.871 -3.633 1.00 2.12 H new ATOM 1554 N TYR A 111 -2.433 -8.302 -0.386 1.00 1.66 N ATOM 1555 CA TYR A 111 -2.814 -7.496 0.805 1.00 1.81 C ATOM 1556 C TYR A 111 -4.309 -7.180 0.719 1.00 2.14 C ATOM 1557 O TYR A 111 -4.755 -6.485 -0.173 1.00 2.42 O ATOM 1558 CB TYR A 111 -2.026 -6.182 0.834 1.00 1.87 C ATOM 1559 CG TYR A 111 -0.531 -6.427 0.802 1.00 1.94 C ATOM 1560 CD1 TYR A 111 0.011 -7.688 1.101 1.00 2.76 C ATOM 1561 CD2 TYR A 111 0.323 -5.365 0.477 1.00 1.82 C ATOM 1562 CE1 TYR A 111 1.398 -7.879 1.072 1.00 2.96 C ATOM 1563 CE2 TYR A 111 1.709 -5.558 0.447 1.00 2.00 C ATOM 1564 CZ TYR A 111 2.246 -6.815 0.745 1.00 2.36 C ATOM 1565 OH TYR A 111 3.613 -7.005 0.717 1.00 2.67 O ATOM 0 H TYR A 111 -2.434 -7.793 -1.270 1.00 1.66 H new ATOM 0 HA TYR A 111 -2.591 -8.060 1.710 1.00 1.81 H new ATOM 0 HB2 TYR A 111 -2.313 -5.566 -0.019 1.00 1.87 H new ATOM 0 HB3 TYR A 111 -2.284 -5.622 1.733 1.00 1.87 H new ATOM 0 HD1 TYR A 111 -0.642 -8.510 1.353 1.00 2.76 H new ATOM 0 HD2 TYR A 111 -0.090 -4.393 0.249 1.00 1.82 H new ATOM 0 HE1 TYR A 111 1.814 -8.849 1.302 1.00 2.96 H new ATOM 0 HE2 TYR A 111 2.363 -4.737 0.194 1.00 2.00 H new ATOM 0 HH TYR A 111 3.836 -7.844 1.173 1.00 2.67 H new ATOM 1575 N ALA A 112 -5.086 -7.690 1.633 1.00 2.33 N ATOM 1576 CA ALA A 112 -6.549 -7.426 1.600 1.00 2.71 C ATOM 1577 C ALA A 112 -6.996 -6.850 2.944 1.00 2.50 C ATOM 1578 O ALA A 112 -6.284 -6.911 3.926 1.00 2.65 O ATOM 1579 CB ALA A 112 -7.298 -8.732 1.330 1.00 3.41 C ATOM 0 H ALA A 112 -4.769 -8.279 2.403 1.00 2.33 H new ATOM 0 HA ALA A 112 -6.770 -6.710 0.808 1.00 2.71 H new ATOM 0 HB1 ALA A 112 -8.370 -8.538 1.306 1.00 3.41 H new ATOM 0 HB2 ALA A 112 -6.982 -9.141 0.371 1.00 3.41 H new ATOM 0 HB3 ALA A 112 -7.077 -9.449 2.121 1.00 3.41 H new ATOM 1585 N PHE A 113 -8.175 -6.293 2.995 1.00 2.28 N ATOM 1586 CA PHE A 113 -8.669 -5.718 4.279 1.00 2.20 C ATOM 1587 C PHE A 113 -10.197 -5.723 4.286 1.00 1.67 C ATOM 1588 O PHE A 113 -10.831 -6.184 3.358 1.00 1.59 O ATOM 1589 CB PHE A 113 -8.166 -4.280 4.425 1.00 2.57 C ATOM 1590 CG PHE A 113 -8.469 -3.507 3.164 1.00 2.45 C ATOM 1591 CD1 PHE A 113 -7.799 -3.817 1.974 1.00 2.38 C ATOM 1592 CD2 PHE A 113 -9.419 -2.479 3.184 1.00 2.65 C ATOM 1593 CE1 PHE A 113 -8.079 -3.099 0.806 1.00 2.44 C ATOM 1594 CE2 PHE A 113 -9.700 -1.761 2.015 1.00 2.77 C ATOM 1595 CZ PHE A 113 -9.030 -2.072 0.825 1.00 2.64 C ATOM 0 H PHE A 113 -8.816 -6.211 2.206 1.00 2.28 H new ATOM 0 HA PHE A 113 -8.298 -6.319 5.109 1.00 2.20 H new ATOM 0 HB2 PHE A 113 -8.644 -3.802 5.280 1.00 2.57 H new ATOM 0 HB3 PHE A 113 -7.093 -4.277 4.616 1.00 2.57 H new ATOM 0 HD1 PHE A 113 -7.066 -4.610 1.958 1.00 2.38 H new ATOM 0 HD2 PHE A 113 -9.936 -2.239 4.102 1.00 2.65 H new ATOM 0 HE1 PHE A 113 -7.561 -3.337 -0.111 1.00 2.44 H new ATOM 0 HE2 PHE A 113 -10.433 -0.968 2.031 1.00 2.77 H new ATOM 0 HZ PHE A 113 -9.247 -1.520 -0.077 1.00 2.64 H new ATOM 1605 N THR A 114 -10.792 -5.214 5.329 1.00 1.53 N ATOM 1606 CA THR A 114 -12.278 -5.189 5.403 1.00 1.47 C ATOM 1607 C THR A 114 -12.777 -3.762 5.172 1.00 1.85 C ATOM 1608 O THR A 114 -12.742 -2.931 6.057 1.00 2.23 O ATOM 1609 CB THR A 114 -12.723 -5.667 6.786 1.00 1.92 C ATOM 1610 OG1 THR A 114 -11.726 -5.335 7.742 1.00 2.12 O ATOM 1611 CG2 THR A 114 -12.927 -7.183 6.764 1.00 2.22 C ATOM 0 H THR A 114 -10.311 -4.814 6.135 1.00 1.53 H new ATOM 0 HA THR A 114 -12.693 -5.846 4.638 1.00 1.47 H new ATOM 0 HB THR A 114 -13.661 -5.181 7.054 1.00 1.92 H new ATOM 0 HG1 THR A 114 -12.010 -5.639 8.629 1.00 2.12 H new ATOM 0 HG21 THR A 114 -13.244 -7.522 7.750 1.00 2.22 H new ATOM 0 HG22 THR A 114 -13.692 -7.437 6.030 1.00 2.22 H new ATOM 0 HG23 THR A 114 -11.991 -7.672 6.496 1.00 2.22 H new ATOM 1619 N SER A 115 -13.243 -3.469 3.989 1.00 2.24 N ATOM 1620 CA SER A 115 -13.743 -2.096 3.703 1.00 2.93 C ATOM 1621 C SER A 115 -14.441 -1.541 4.947 1.00 3.67 C ATOM 1622 O SER A 115 -15.547 -1.922 5.273 1.00 4.11 O ATOM 1623 CB SER A 115 -14.735 -2.145 2.541 1.00 3.21 C ATOM 1624 OG SER A 115 -15.983 -2.641 3.008 1.00 4.06 O ATOM 0 H SER A 115 -13.299 -4.122 3.208 1.00 2.24 H new ATOM 0 HA SER A 115 -12.905 -1.452 3.436 1.00 2.93 H new ATOM 0 HB2 SER A 115 -14.863 -1.150 2.115 1.00 3.21 H new ATOM 0 HB3 SER A 115 -14.351 -2.785 1.747 1.00 3.21 H new ATOM 0 HG SER A 115 -15.835 -3.451 3.540 1.00 4.06 H new ATOM 1630 N ASN A 116 -13.801 -0.642 5.645 1.00 3.92 N ATOM 1631 CA ASN A 116 -14.428 -0.062 6.866 1.00 4.70 C ATOM 1632 C ASN A 116 -15.164 1.227 6.496 1.00 4.40 C ATOM 1633 O ASN A 116 -16.179 1.562 7.072 1.00 4.82 O ATOM 1634 CB ASN A 116 -13.342 0.248 7.899 1.00 5.27 C ATOM 1635 CG ASN A 116 -12.942 -1.041 8.620 1.00 6.19 C ATOM 1636 OD1 ASN A 116 -13.455 -2.176 8.235 1.00 6.51 O flip ATOM 1637 ND2 ASN A 116 -12.153 -1.013 9.544 1.00 6.86 N flip ATOM 0 H ASN A 116 -12.872 -0.285 5.422 1.00 3.92 H new ATOM 0 HA ASN A 116 -15.135 -0.777 7.287 1.00 4.70 H new ATOM 0 HB2 ASN A 116 -12.473 0.688 7.409 1.00 5.27 H new ATOM 0 HB3 ASN A 116 -13.707 0.981 8.618 1.00 5.27 H new ATOM 0 HD21 ASN A 116 -11.752 -0.125 9.845 1.00 6.86 H new ATOM 0 HD22 ASN A 116 -11.892 -1.878 10.018 1.00 6.86 H new ATOM 1644 N LEU A 117 -14.661 1.952 5.534 1.00 3.81 N ATOM 1645 CA LEU A 117 -15.331 3.218 5.125 1.00 3.59 C ATOM 1646 C LEU A 117 -15.680 3.147 3.637 1.00 3.13 C ATOM 1647 O LEU A 117 -15.490 2.134 2.992 1.00 3.28 O ATOM 1648 CB LEU A 117 -14.391 4.399 5.369 1.00 3.83 C ATOM 1649 CG LEU A 117 -14.483 4.838 6.831 1.00 4.66 C ATOM 1650 CD1 LEU A 117 -15.908 5.297 7.141 1.00 5.12 C ATOM 1651 CD2 LEU A 117 -14.118 3.660 7.738 1.00 4.76 C ATOM 0 H LEU A 117 -13.814 1.722 5.014 1.00 3.81 H new ATOM 0 HA LEU A 117 -16.241 3.353 5.710 1.00 3.59 H new ATOM 0 HB2 LEU A 117 -13.366 4.116 5.128 1.00 3.83 H new ATOM 0 HB3 LEU A 117 -14.656 5.228 4.713 1.00 3.83 H new ATOM 0 HG LEU A 117 -13.792 5.663 7.006 1.00 4.66 H new ATOM 0 HD11 LEU A 117 -15.971 5.609 8.183 1.00 5.12 H new ATOM 0 HD12 LEU A 117 -16.169 6.135 6.495 1.00 5.12 H new ATOM 0 HD13 LEU A 117 -16.601 4.474 6.966 1.00 5.12 H new ATOM 0 HD21 LEU A 117 -14.183 3.970 8.781 1.00 4.76 H new ATOM 0 HD22 LEU A 117 -14.810 2.836 7.561 1.00 4.76 H new ATOM 0 HD23 LEU A 117 -13.101 3.334 7.519 1.00 4.76 H new ATOM 1663 N THR A 118 -16.189 4.214 3.086 1.00 3.12 N ATOM 1664 CA THR A 118 -16.550 4.209 1.643 1.00 3.08 C ATOM 1665 C THR A 118 -15.639 5.174 0.882 1.00 3.13 C ATOM 1666 O THR A 118 -15.674 6.371 1.092 1.00 3.70 O ATOM 1667 CB THR A 118 -18.004 4.654 1.488 1.00 3.62 C ATOM 1668 OG1 THR A 118 -18.339 5.545 2.543 1.00 4.06 O ATOM 1669 CG2 THR A 118 -18.924 3.432 1.538 1.00 4.04 C ATOM 0 H THR A 118 -16.370 5.091 3.575 1.00 3.12 H new ATOM 0 HA THR A 118 -16.427 3.204 1.240 1.00 3.08 H new ATOM 0 HB THR A 118 -18.129 5.159 0.530 1.00 3.62 H new ATOM 0 HG1 THR A 118 -19.271 5.833 2.445 1.00 4.06 H new ATOM 0 HG21 THR A 118 -19.960 3.752 1.427 1.00 4.04 H new ATOM 0 HG22 THR A 118 -18.666 2.749 0.728 1.00 4.04 H new ATOM 0 HG23 THR A 118 -18.802 2.923 2.494 1.00 4.04 H new ATOM 1677 N PHE A 119 -14.825 4.667 -0.003 1.00 2.76 N ATOM 1678 CA PHE A 119 -13.919 5.560 -0.779 1.00 3.07 C ATOM 1679 C PHE A 119 -14.339 5.553 -2.252 1.00 2.72 C ATOM 1680 O PHE A 119 -13.740 4.885 -3.072 1.00 2.65 O ATOM 1681 CB PHE A 119 -12.477 5.058 -0.667 1.00 3.53 C ATOM 1682 CG PHE A 119 -12.172 4.671 0.761 1.00 4.12 C ATOM 1683 CD1 PHE A 119 -12.576 5.496 1.818 1.00 4.69 C ATOM 1684 CD2 PHE A 119 -11.477 3.485 1.026 1.00 4.47 C ATOM 1685 CE1 PHE A 119 -12.285 5.135 3.139 1.00 5.33 C ATOM 1686 CE2 PHE A 119 -11.183 3.125 2.347 1.00 5.10 C ATOM 1687 CZ PHE A 119 -11.588 3.949 3.403 1.00 5.44 C ATOM 0 H PHE A 119 -14.748 3.674 -0.222 1.00 2.76 H new ATOM 0 HA PHE A 119 -13.984 6.572 -0.380 1.00 3.07 H new ATOM 0 HB2 PHE A 119 -12.330 4.201 -1.324 1.00 3.53 H new ATOM 0 HB3 PHE A 119 -11.787 5.834 -0.997 1.00 3.53 H new ATOM 0 HD1 PHE A 119 -13.112 6.411 1.614 1.00 4.69 H new ATOM 0 HD2 PHE A 119 -11.167 2.847 0.211 1.00 4.47 H new ATOM 0 HE1 PHE A 119 -12.598 5.771 3.954 1.00 5.33 H new ATOM 0 HE2 PHE A 119 -10.644 2.212 2.551 1.00 5.10 H new ATOM 0 HZ PHE A 119 -11.363 3.670 4.422 1.00 5.44 H new ATOM 1697 N PRO A 120 -15.363 6.292 -2.584 1.00 2.96 N ATOM 1698 CA PRO A 120 -15.877 6.375 -3.980 1.00 2.86 C ATOM 1699 C PRO A 120 -15.014 7.283 -4.863 1.00 3.02 C ATOM 1700 O PRO A 120 -14.386 8.206 -4.383 1.00 3.70 O ATOM 1701 CB PRO A 120 -17.275 6.970 -3.810 1.00 3.40 C ATOM 1702 CG PRO A 120 -17.210 7.778 -2.557 1.00 4.04 C ATOM 1703 CD PRO A 120 -16.148 7.131 -1.663 1.00 3.80 C ATOM 0 HA PRO A 120 -15.870 5.404 -4.475 1.00 2.86 H new ATOM 0 HB2 PRO A 120 -17.545 7.591 -4.665 1.00 3.40 H new ATOM 0 HB3 PRO A 120 -18.029 6.187 -3.734 1.00 3.40 H new ATOM 0 HG2 PRO A 120 -16.950 8.813 -2.778 1.00 4.04 H new ATOM 0 HG3 PRO A 120 -18.178 7.793 -2.057 1.00 4.04 H new ATOM 0 HD2 PRO A 120 -15.524 7.882 -1.179 1.00 3.80 H new ATOM 0 HD3 PRO A 120 -16.603 6.536 -0.871 1.00 3.80 H new ATOM 1711 N PRO A 121 -14.989 7.028 -6.146 1.00 2.87 N ATOM 1712 CA PRO A 121 -14.196 7.840 -7.110 1.00 3.45 C ATOM 1713 C PRO A 121 -14.916 9.136 -7.489 1.00 3.18 C ATOM 1714 O PRO A 121 -14.300 10.151 -7.742 1.00 3.79 O ATOM 1715 CB PRO A 121 -14.080 6.923 -8.326 1.00 3.90 C ATOM 1716 CG PRO A 121 -15.314 6.083 -8.295 1.00 3.47 C ATOM 1717 CD PRO A 121 -15.712 5.939 -6.823 1.00 2.74 C ATOM 0 HA PRO A 121 -13.235 8.150 -6.699 1.00 3.45 H new ATOM 0 HB2 PRO A 121 -14.017 7.498 -9.250 1.00 3.90 H new ATOM 0 HB3 PRO A 121 -13.182 6.308 -8.272 1.00 3.90 H new ATOM 0 HG2 PRO A 121 -16.115 6.550 -8.868 1.00 3.47 H new ATOM 0 HG3 PRO A 121 -15.129 5.107 -8.743 1.00 3.47 H new ATOM 0 HD2 PRO A 121 -16.790 6.034 -6.691 1.00 2.74 H new ATOM 0 HD3 PRO A 121 -15.427 4.965 -6.427 1.00 2.74 H new ATOM 1725 N ASP A 122 -16.220 9.104 -7.530 1.00 2.63 N ATOM 1726 CA ASP A 122 -16.982 10.331 -7.893 1.00 2.65 C ATOM 1727 C ASP A 122 -17.714 10.863 -6.659 1.00 2.94 C ATOM 1728 O ASP A 122 -17.932 12.049 -6.518 1.00 3.74 O ATOM 1729 CB ASP A 122 -18.001 9.995 -8.985 1.00 2.79 C ATOM 1730 CG ASP A 122 -17.297 9.949 -10.343 1.00 3.42 C ATOM 1731 OD1 ASP A 122 -16.555 10.872 -10.634 1.00 4.14 O ATOM 1732 OD2 ASP A 122 -17.515 8.994 -11.069 1.00 3.56 O ATOM 0 H ASP A 122 -16.789 8.282 -7.328 1.00 2.63 H new ATOM 0 HA ASP A 122 -16.292 11.090 -8.261 1.00 2.65 H new ATOM 0 HB2 ASP A 122 -18.472 9.035 -8.775 1.00 2.79 H new ATOM 0 HB3 ASP A 122 -18.794 10.743 -9.000 1.00 2.79 H new ATOM 1737 N GLY A 123 -18.094 9.993 -5.763 1.00 2.81 N ATOM 1738 CA GLY A 123 -18.811 10.452 -4.540 1.00 3.57 C ATOM 1739 C GLY A 123 -18.239 11.796 -4.086 1.00 3.16 C ATOM 1740 O GLY A 123 -18.946 12.642 -3.575 1.00 3.47 O ATOM 0 H GLY A 123 -17.939 8.987 -5.825 1.00 2.81 H new ATOM 0 HA2 GLY A 123 -19.877 10.550 -4.746 1.00 3.57 H new ATOM 0 HA3 GLY A 123 -18.706 9.713 -3.745 1.00 3.57 H new ATOM 1744 N ASP A 124 -16.963 12.001 -4.272 1.00 2.78 N ATOM 1745 CA ASP A 124 -16.348 13.292 -3.852 1.00 2.58 C ATOM 1746 C ASP A 124 -14.891 13.340 -4.319 1.00 2.15 C ATOM 1747 O ASP A 124 -14.356 14.391 -4.607 1.00 2.31 O ATOM 1748 CB ASP A 124 -16.399 13.408 -2.327 1.00 3.01 C ATOM 1749 CG ASP A 124 -17.434 14.462 -1.929 1.00 3.26 C ATOM 1750 OD1 ASP A 124 -18.357 14.677 -2.699 1.00 3.51 O ATOM 1751 OD2 ASP A 124 -17.287 15.034 -0.863 1.00 3.59 O ATOM 0 H ASP A 124 -16.321 11.331 -4.696 1.00 2.78 H new ATOM 0 HA ASP A 124 -16.899 14.119 -4.299 1.00 2.58 H new ATOM 0 HB2 ASP A 124 -16.658 12.445 -1.887 1.00 3.01 H new ATOM 0 HB3 ASP A 124 -15.418 13.682 -1.940 1.00 3.01 H new ATOM 1756 N ALA A 125 -14.244 12.209 -4.394 1.00 1.83 N ATOM 1757 CA ALA A 125 -12.823 12.193 -4.841 1.00 1.67 C ATOM 1758 C ALA A 125 -12.604 11.030 -5.811 1.00 1.39 C ATOM 1759 O ALA A 125 -13.296 10.032 -5.763 1.00 1.38 O ATOM 1760 CB ALA A 125 -11.909 12.022 -3.625 1.00 2.08 C ATOM 0 H ALA A 125 -14.638 11.296 -4.165 1.00 1.83 H new ATOM 0 HA ALA A 125 -12.590 13.132 -5.343 1.00 1.67 H new ATOM 0 HB1 ALA A 125 -10.869 12.010 -3.951 1.00 2.08 H new ATOM 0 HB2 ALA A 125 -12.064 12.851 -2.934 1.00 2.08 H new ATOM 0 HB3 ALA A 125 -12.143 11.083 -3.123 1.00 2.08 H new ATOM 1766 N PRO A 126 -11.643 11.164 -6.684 1.00 1.26 N ATOM 1767 CA PRO A 126 -11.310 10.115 -7.692 1.00 1.14 C ATOM 1768 C PRO A 126 -10.707 8.863 -7.051 1.00 1.05 C ATOM 1769 O PRO A 126 -10.555 7.838 -7.687 1.00 1.36 O ATOM 1770 CB PRO A 126 -10.281 10.789 -8.603 1.00 1.27 C ATOM 1771 CG PRO A 126 -9.692 11.900 -7.797 1.00 1.31 C ATOM 1772 CD PRO A 126 -10.766 12.339 -6.802 1.00 1.39 C ATOM 0 HA PRO A 126 -12.200 9.772 -8.219 1.00 1.14 H new ATOM 0 HB2 PRO A 126 -9.512 10.082 -8.915 1.00 1.27 H new ATOM 0 HB3 PRO A 126 -10.751 11.170 -9.510 1.00 1.27 H new ATOM 0 HG2 PRO A 126 -8.795 11.566 -7.276 1.00 1.31 H new ATOM 0 HG3 PRO A 126 -9.397 12.730 -8.439 1.00 1.31 H new ATOM 0 HD2 PRO A 126 -10.332 12.611 -5.840 1.00 1.39 H new ATOM 0 HD3 PRO A 126 -11.312 13.210 -7.163 1.00 1.39 H new ATOM 1780 N GLY A 127 -10.359 8.940 -5.796 1.00 1.02 N ATOM 1781 CA GLY A 127 -9.762 7.758 -5.113 1.00 1.03 C ATOM 1782 C GLY A 127 -8.343 8.100 -4.656 1.00 1.09 C ATOM 1783 O GLY A 127 -7.852 9.187 -4.893 1.00 1.19 O ATOM 0 H GLY A 127 -10.462 9.771 -5.214 1.00 1.02 H new ATOM 0 HA2 GLY A 127 -10.373 7.472 -4.257 1.00 1.03 H new ATOM 0 HA3 GLY A 127 -9.742 6.904 -5.790 1.00 1.03 H new ATOM 1787 N GLN A 128 -7.677 7.187 -4.003 1.00 1.12 N ATOM 1788 CA GLN A 128 -6.292 7.474 -3.536 1.00 1.26 C ATOM 1789 C GLN A 128 -5.511 6.165 -3.396 1.00 1.11 C ATOM 1790 O GLN A 128 -5.882 5.283 -2.648 1.00 1.11 O ATOM 1791 CB GLN A 128 -6.346 8.182 -2.181 1.00 1.53 C ATOM 1792 CG GLN A 128 -5.397 9.382 -2.194 1.00 1.64 C ATOM 1793 CD GLN A 128 -4.967 9.710 -0.763 1.00 1.87 C ATOM 1794 OE1 GLN A 128 -5.859 9.713 0.189 1.00 2.01 O flip ATOM 1795 NE2 GLN A 128 -3.806 9.965 -0.509 1.00 1.99 N flip ATOM 0 H GLN A 128 -8.031 6.258 -3.774 1.00 1.12 H new ATOM 0 HA GLN A 128 -5.794 8.115 -4.263 1.00 1.26 H new ATOM 0 HB2 GLN A 128 -7.364 8.512 -1.971 1.00 1.53 H new ATOM 0 HB3 GLN A 128 -6.065 7.491 -1.386 1.00 1.53 H new ATOM 0 HG2 GLN A 128 -4.522 9.161 -2.806 1.00 1.64 H new ATOM 0 HG3 GLN A 128 -5.890 10.244 -2.643 1.00 1.64 H new ATOM 0 HE21 GLN A 128 -3.109 9.963 -1.253 1.00 1.99 H new ATOM 0 HE22 GLN A 128 -3.529 10.181 0.449 1.00 1.99 H new ATOM 1804 N VAL A 129 -4.423 6.040 -4.107 1.00 1.03 N ATOM 1805 CA VAL A 129 -3.603 4.799 -4.017 1.00 0.91 C ATOM 1806 C VAL A 129 -2.127 5.176 -4.146 1.00 0.88 C ATOM 1807 O VAL A 129 -1.712 5.757 -5.129 1.00 1.00 O ATOM 1808 CB VAL A 129 -3.991 3.845 -5.149 1.00 0.94 C ATOM 1809 CG1 VAL A 129 -3.338 2.483 -4.916 1.00 1.28 C ATOM 1810 CG2 VAL A 129 -5.512 3.682 -5.178 1.00 0.89 C ATOM 0 H VAL A 129 -4.066 6.748 -4.749 1.00 1.03 H new ATOM 0 HA VAL A 129 -3.778 4.306 -3.061 1.00 0.91 H new ATOM 0 HB VAL A 129 -3.650 4.253 -6.100 1.00 0.94 H new ATOM 0 HG11 VAL A 129 -3.615 1.804 -5.723 1.00 1.28 H new ATOM 0 HG12 VAL A 129 -2.254 2.598 -4.894 1.00 1.28 H new ATOM 0 HG13 VAL A 129 -3.679 2.074 -3.965 1.00 1.28 H new ATOM 0 HG21 VAL A 129 -5.790 3.003 -5.984 1.00 0.89 H new ATOM 0 HG22 VAL A 129 -5.852 3.274 -4.226 1.00 0.89 H new ATOM 0 HG23 VAL A 129 -5.979 4.653 -5.345 1.00 0.89 H new ATOM 1820 N ALA A 130 -1.331 4.869 -3.159 1.00 0.78 N ATOM 1821 CA ALA A 130 0.110 5.236 -3.238 1.00 0.85 C ATOM 1822 C ALA A 130 0.978 4.123 -2.648 1.00 0.75 C ATOM 1823 O ALA A 130 0.734 3.637 -1.561 1.00 0.73 O ATOM 1824 CB ALA A 130 0.342 6.530 -2.455 1.00 0.98 C ATOM 0 H ALA A 130 -1.614 4.384 -2.308 1.00 0.78 H new ATOM 0 HA ALA A 130 0.384 5.377 -4.284 1.00 0.85 H new ATOM 0 HB1 ALA A 130 1.396 6.804 -2.509 1.00 0.98 H new ATOM 0 HB2 ALA A 130 -0.263 7.329 -2.884 1.00 0.98 H new ATOM 0 HB3 ALA A 130 0.059 6.380 -1.413 1.00 0.98 H new ATOM 1830 N PHE A 131 2.000 3.729 -3.357 1.00 0.75 N ATOM 1831 CA PHE A 131 2.905 2.661 -2.847 1.00 0.70 C ATOM 1832 C PHE A 131 4.090 3.320 -2.140 1.00 0.77 C ATOM 1833 O PHE A 131 4.875 4.018 -2.752 1.00 0.99 O ATOM 1834 CB PHE A 131 3.418 1.823 -4.020 1.00 0.70 C ATOM 1835 CG PHE A 131 2.390 0.784 -4.404 1.00 0.84 C ATOM 1836 CD1 PHE A 131 1.036 0.984 -4.107 1.00 1.29 C ATOM 1837 CD2 PHE A 131 2.797 -0.383 -5.063 1.00 1.49 C ATOM 1838 CE1 PHE A 131 0.091 0.016 -4.470 1.00 1.54 C ATOM 1839 CE2 PHE A 131 1.852 -1.349 -5.426 1.00 1.73 C ATOM 1840 CZ PHE A 131 0.498 -1.150 -5.129 1.00 1.48 C ATOM 0 H PHE A 131 2.248 4.103 -4.273 1.00 0.75 H new ATOM 0 HA PHE A 131 2.365 2.017 -2.153 1.00 0.70 H new ATOM 0 HB2 PHE A 131 3.631 2.468 -4.873 1.00 0.70 H new ATOM 0 HB3 PHE A 131 4.354 1.336 -3.747 1.00 0.70 H new ATOM 0 HD1 PHE A 131 0.721 1.883 -3.599 1.00 1.29 H new ATOM 0 HD2 PHE A 131 3.841 -0.537 -5.291 1.00 1.49 H new ATOM 0 HE1 PHE A 131 -0.953 0.169 -4.241 1.00 1.54 H new ATOM 0 HE2 PHE A 131 2.167 -2.248 -5.935 1.00 1.73 H new ATOM 0 HZ PHE A 131 -0.232 -1.896 -5.408 1.00 1.48 H new ATOM 1850 N HIS A 132 4.225 3.115 -0.858 1.00 0.82 N ATOM 1851 CA HIS A 132 5.356 3.746 -0.120 1.00 0.96 C ATOM 1852 C HIS A 132 6.481 2.729 0.086 1.00 1.03 C ATOM 1853 O HIS A 132 6.286 1.680 0.667 1.00 1.41 O ATOM 1854 CB HIS A 132 4.862 4.238 1.242 1.00 1.41 C ATOM 1855 CG HIS A 132 4.191 5.574 1.078 1.00 1.36 C ATOM 1856 ND1 HIS A 132 3.766 6.326 2.162 1.00 1.70 N ATOM 1857 CD2 HIS A 132 3.865 6.308 -0.037 1.00 1.88 C ATOM 1858 CE1 HIS A 132 3.213 7.455 1.683 1.00 1.96 C ATOM 1859 NE2 HIS A 132 3.248 7.495 0.348 1.00 2.32 N ATOM 0 H HIS A 132 3.603 2.539 -0.291 1.00 0.82 H new ATOM 0 HA HIS A 132 5.736 4.586 -0.701 1.00 0.96 H new ATOM 0 HB2 HIS A 132 4.164 3.518 1.670 1.00 1.41 H new ATOM 0 HB3 HIS A 132 5.698 4.322 1.936 1.00 1.41 H new ATOM 0 HD2 HIS A 132 4.058 6.009 -1.057 1.00 1.88 H new ATOM 0 HE1 HIS A 132 2.792 8.234 2.302 1.00 1.96 H new ATOM 0 HE2 HIS A 132 2.898 8.236 -0.259 1.00 2.32 H new ATOM 1867 N LEU A 133 7.661 3.038 -0.379 1.00 1.00 N ATOM 1868 CA LEU A 133 8.804 2.099 -0.204 1.00 1.39 C ATOM 1869 C LEU A 133 10.098 2.902 -0.046 1.00 1.62 C ATOM 1870 O LEU A 133 11.184 2.359 -0.070 1.00 2.04 O ATOM 1871 CB LEU A 133 8.917 1.184 -1.427 1.00 1.58 C ATOM 1872 CG LEU A 133 7.947 1.651 -2.513 1.00 1.41 C ATOM 1873 CD1 LEU A 133 8.393 3.016 -3.041 1.00 1.52 C ATOM 1874 CD2 LEU A 133 7.944 0.639 -3.661 1.00 2.11 C ATOM 0 H LEU A 133 7.882 3.902 -0.873 1.00 1.00 H new ATOM 0 HA LEU A 133 8.638 1.490 0.684 1.00 1.39 H new ATOM 0 HB2 LEU A 133 9.938 1.196 -1.809 1.00 1.58 H new ATOM 0 HB3 LEU A 133 8.694 0.155 -1.145 1.00 1.58 H new ATOM 0 HG LEU A 133 6.944 1.732 -2.095 1.00 1.41 H new ATOM 0 HD11 LEU A 133 7.702 3.350 -3.815 1.00 1.52 H new ATOM 0 HD12 LEU A 133 8.399 3.738 -2.224 1.00 1.52 H new ATOM 0 HD13 LEU A 133 9.396 2.934 -3.460 1.00 1.52 H new ATOM 0 HD21 LEU A 133 7.253 0.970 -4.436 1.00 2.11 H new ATOM 0 HD22 LEU A 133 8.948 0.560 -4.079 1.00 2.11 H new ATOM 0 HD23 LEU A 133 7.629 -0.335 -3.287 1.00 2.11 H new ATOM 1886 N GLY A 134 9.990 4.193 0.119 1.00 1.46 N ATOM 1887 CA GLY A 134 11.212 5.030 0.282 1.00 1.77 C ATOM 1888 C GLY A 134 11.773 4.837 1.693 1.00 1.08 C ATOM 1889 O GLY A 134 11.074 4.991 2.673 1.00 0.83 O ATOM 0 H GLY A 134 9.108 4.704 0.148 1.00 1.46 H new ATOM 0 HA2 GLY A 134 11.960 4.751 -0.460 1.00 1.77 H new ATOM 0 HA3 GLY A 134 10.973 6.080 0.114 1.00 1.77 H new ATOM 1893 N LYS A 135 13.027 4.500 1.802 1.00 1.23 N ATOM 1894 CA LYS A 135 13.629 4.292 3.150 1.00 1.09 C ATOM 1895 C LYS A 135 15.150 4.257 3.032 1.00 1.32 C ATOM 1896 O LYS A 135 15.701 3.556 2.208 1.00 1.76 O ATOM 1897 CB LYS A 135 13.137 2.964 3.732 1.00 1.93 C ATOM 1898 CG LYS A 135 11.711 3.124 4.263 1.00 2.37 C ATOM 1899 CD LYS A 135 11.472 2.118 5.392 1.00 3.36 C ATOM 1900 CE LYS A 135 11.691 2.803 6.741 1.00 4.04 C ATOM 1901 NZ LYS A 135 13.055 3.403 6.778 1.00 5.06 N ATOM 0 H LYS A 135 13.662 4.359 1.016 1.00 1.23 H new ATOM 0 HA LYS A 135 13.333 5.111 3.806 1.00 1.09 H new ATOM 0 HB2 LYS A 135 13.164 2.189 2.966 1.00 1.93 H new ATOM 0 HB3 LYS A 135 13.799 2.641 4.535 1.00 1.93 H new ATOM 0 HG2 LYS A 135 11.559 4.140 4.628 1.00 2.37 H new ATOM 0 HG3 LYS A 135 10.992 2.963 3.460 1.00 2.37 H new ATOM 0 HD2 LYS A 135 10.458 1.723 5.333 1.00 3.36 H new ATOM 0 HD3 LYS A 135 12.150 1.271 5.288 1.00 3.36 H new ATOM 0 HE2 LYS A 135 10.938 3.576 6.895 1.00 4.04 H new ATOM 0 HE3 LYS A 135 11.577 2.081 7.550 1.00 4.04 H new ATOM 0 HZ1 LYS A 135 13.276 3.704 7.749 1.00 5.06 H new ATOM 0 HZ2 LYS A 135 13.753 2.698 6.467 1.00 5.06 H new ATOM 0 HZ3 LYS A 135 13.089 4.227 6.144 1.00 5.06 H new ATOM 1915 N ALA A 136 15.841 4.995 3.856 1.00 1.56 N ATOM 1916 CA ALA A 136 17.325 4.967 3.779 1.00 1.90 C ATOM 1917 C ALA A 136 17.754 3.503 3.769 1.00 2.22 C ATOM 1918 O ALA A 136 18.751 3.133 3.182 1.00 2.64 O ATOM 1919 CB ALA A 136 17.925 5.680 4.994 1.00 2.27 C ATOM 0 H ALA A 136 15.447 5.608 4.570 1.00 1.56 H new ATOM 0 HA ALA A 136 17.674 5.476 2.880 1.00 1.90 H new ATOM 0 HB1 ALA A 136 19.013 5.655 4.930 1.00 2.27 H new ATOM 0 HB2 ALA A 136 17.586 6.716 5.012 1.00 2.27 H new ATOM 0 HB3 ALA A 136 17.604 5.177 5.906 1.00 2.27 H new ATOM 1925 N GLY A 137 16.976 2.667 4.400 1.00 2.17 N ATOM 1926 CA GLY A 137 17.291 1.215 4.420 1.00 2.51 C ATOM 1927 C GLY A 137 16.488 0.539 3.311 1.00 1.81 C ATOM 1928 O GLY A 137 16.451 -0.669 3.203 1.00 2.11 O ATOM 0 H GLY A 137 16.130 2.932 4.905 1.00 2.17 H new ATOM 0 HA2 GLY A 137 18.358 1.055 4.268 1.00 2.51 H new ATOM 0 HA3 GLY A 137 17.039 0.784 5.389 1.00 2.51 H new ATOM 1932 N ALA A 138 15.834 1.328 2.495 1.00 1.23 N ATOM 1933 CA ALA A 138 15.013 0.774 1.377 1.00 1.37 C ATOM 1934 C ALA A 138 15.807 -0.267 0.586 1.00 1.13 C ATOM 1935 O ALA A 138 16.380 -1.185 1.132 1.00 1.41 O ATOM 1936 CB ALA A 138 14.597 1.917 0.448 1.00 2.32 C ATOM 0 H ALA A 138 15.835 2.346 2.558 1.00 1.23 H new ATOM 0 HA ALA A 138 14.130 0.290 1.793 1.00 1.37 H new ATOM 0 HB1 ALA A 138 13.997 1.520 -0.371 1.00 2.32 H new ATOM 0 HB2 ALA A 138 14.010 2.646 1.008 1.00 2.32 H new ATOM 0 HB3 ALA A 138 15.487 2.400 0.045 1.00 2.32 H new ATOM 1942 N TYR A 139 15.818 -0.141 -0.708 1.00 0.82 N ATOM 1943 CA TYR A 139 16.547 -1.135 -1.546 1.00 0.75 C ATOM 1944 C TYR A 139 16.061 -1.037 -2.995 1.00 0.76 C ATOM 1945 O TYR A 139 15.436 -0.072 -3.385 1.00 0.83 O ATOM 1946 CB TYR A 139 16.249 -2.539 -1.017 1.00 0.74 C ATOM 1947 CG TYR A 139 14.850 -2.566 -0.451 1.00 0.79 C ATOM 1948 CD1 TYR A 139 13.760 -2.241 -1.269 1.00 1.42 C ATOM 1949 CD2 TYR A 139 14.640 -2.908 0.890 1.00 1.41 C ATOM 1950 CE1 TYR A 139 12.462 -2.259 -0.746 1.00 1.61 C ATOM 1951 CE2 TYR A 139 13.342 -2.924 1.413 1.00 1.42 C ATOM 1952 CZ TYR A 139 12.253 -2.600 0.595 1.00 1.11 C ATOM 1953 OH TYR A 139 10.975 -2.613 1.111 1.00 1.32 O ATOM 0 H TYR A 139 15.354 0.606 -1.225 1.00 0.82 H new ATOM 0 HA TYR A 139 17.618 -0.935 -1.505 1.00 0.75 H new ATOM 0 HB2 TYR A 139 16.345 -3.271 -1.819 1.00 0.74 H new ATOM 0 HB3 TYR A 139 16.971 -2.812 -0.248 1.00 0.74 H new ATOM 0 HD1 TYR A 139 13.921 -1.976 -2.304 1.00 1.42 H new ATOM 0 HD2 TYR A 139 15.480 -3.160 1.521 1.00 1.41 H new ATOM 0 HE1 TYR A 139 11.622 -2.010 -1.377 1.00 1.61 H new ATOM 0 HE2 TYR A 139 13.180 -3.186 2.448 1.00 1.42 H new ATOM 0 HH TYR A 139 11.018 -2.630 2.090 1.00 1.32 H new ATOM 1963 N GLU A 140 16.331 -2.035 -3.790 1.00 0.80 N ATOM 1964 CA GLU A 140 15.872 -2.006 -5.207 1.00 0.87 C ATOM 1965 C GLU A 140 14.429 -2.510 -5.276 1.00 0.77 C ATOM 1966 O GLU A 140 14.117 -3.589 -4.809 1.00 0.73 O ATOM 1967 CB GLU A 140 16.771 -2.908 -6.055 1.00 1.13 C ATOM 1968 CG GLU A 140 17.738 -2.045 -6.869 1.00 0.93 C ATOM 1969 CD GLU A 140 18.545 -1.153 -5.924 1.00 0.94 C ATOM 1970 OE1 GLU A 140 18.251 -1.157 -4.741 1.00 1.25 O ATOM 1971 OE2 GLU A 140 19.445 -0.480 -6.401 1.00 1.65 O ATOM 0 H GLU A 140 16.850 -2.870 -3.519 1.00 0.80 H new ATOM 0 HA GLU A 140 15.924 -0.987 -5.589 1.00 0.87 H new ATOM 0 HB2 GLU A 140 17.328 -3.591 -5.413 1.00 1.13 H new ATOM 0 HB3 GLU A 140 16.164 -3.521 -6.722 1.00 1.13 H new ATOM 0 HG2 GLU A 140 18.409 -2.679 -7.449 1.00 0.93 H new ATOM 0 HG3 GLU A 140 17.185 -1.432 -7.581 1.00 0.93 H new ATOM 1978 N PHE A 141 13.548 -1.737 -5.851 1.00 0.77 N ATOM 1979 CA PHE A 141 12.121 -2.162 -5.951 1.00 0.75 C ATOM 1980 C PHE A 141 11.813 -2.562 -7.395 1.00 0.72 C ATOM 1981 O PHE A 141 11.818 -1.738 -8.288 1.00 0.73 O ATOM 1982 CB PHE A 141 11.223 -0.993 -5.540 1.00 0.79 C ATOM 1983 CG PHE A 141 9.844 -1.501 -5.194 1.00 0.81 C ATOM 1984 CD1 PHE A 141 9.677 -2.435 -4.164 1.00 1.17 C ATOM 1985 CD2 PHE A 141 8.730 -1.032 -5.901 1.00 1.64 C ATOM 1986 CE1 PHE A 141 8.398 -2.900 -3.842 1.00 1.26 C ATOM 1987 CE2 PHE A 141 7.449 -1.498 -5.579 1.00 1.68 C ATOM 1988 CZ PHE A 141 7.284 -2.432 -4.549 1.00 1.00 C ATOM 0 H PHE A 141 13.756 -0.825 -6.258 1.00 0.77 H new ATOM 0 HA PHE A 141 11.939 -3.012 -5.294 1.00 0.75 H new ATOM 0 HB2 PHE A 141 11.655 -0.475 -4.684 1.00 0.79 H new ATOM 0 HB3 PHE A 141 11.160 -0.269 -6.352 1.00 0.79 H new ATOM 0 HD1 PHE A 141 10.536 -2.796 -3.618 1.00 1.17 H new ATOM 0 HD2 PHE A 141 8.859 -0.311 -6.695 1.00 1.64 H new ATOM 0 HE1 PHE A 141 8.270 -3.620 -3.048 1.00 1.26 H new ATOM 0 HE2 PHE A 141 6.590 -1.137 -6.125 1.00 1.68 H new ATOM 0 HZ PHE A 141 6.297 -2.792 -4.300 1.00 1.00 H new ATOM 1998 N CYS A 142 11.552 -3.819 -7.638 1.00 0.70 N ATOM 1999 CA CYS A 142 11.257 -4.261 -9.027 1.00 0.68 C ATOM 2000 C CYS A 142 9.803 -4.735 -9.131 1.00 0.68 C ATOM 2001 O CYS A 142 9.489 -5.869 -8.832 1.00 0.74 O ATOM 2002 CB CYS A 142 12.191 -5.415 -9.385 1.00 0.68 C ATOM 2003 SG CYS A 142 13.825 -4.765 -9.811 1.00 0.72 S ATOM 0 H CYS A 142 11.531 -4.556 -6.934 1.00 0.70 H new ATOM 0 HA CYS A 142 11.408 -3.427 -9.713 1.00 0.68 H new ATOM 0 HB2 CYS A 142 12.271 -6.105 -8.545 1.00 0.68 H new ATOM 0 HB3 CYS A 142 11.783 -5.979 -10.224 1.00 0.68 H new ATOM 2008 N ILE A 143 8.918 -3.878 -9.565 1.00 0.83 N ATOM 2009 CA ILE A 143 7.490 -4.283 -9.701 1.00 0.89 C ATOM 2010 C ILE A 143 7.145 -4.419 -11.182 1.00 0.92 C ATOM 2011 O ILE A 143 7.605 -3.662 -12.015 1.00 0.91 O ATOM 2012 CB ILE A 143 6.589 -3.234 -9.034 1.00 0.95 C ATOM 2013 CG1 ILE A 143 5.419 -2.868 -9.955 1.00 1.11 C ATOM 2014 CG2 ILE A 143 7.406 -1.976 -8.732 1.00 0.92 C ATOM 2015 CD1 ILE A 143 4.398 -2.037 -9.177 1.00 1.22 C ATOM 0 H ILE A 143 9.123 -2.915 -9.831 1.00 0.83 H new ATOM 0 HA ILE A 143 7.329 -5.242 -9.209 1.00 0.89 H new ATOM 0 HB ILE A 143 6.194 -3.651 -8.108 1.00 0.95 H new ATOM 0 HG12 ILE A 143 5.782 -2.306 -10.815 1.00 1.11 H new ATOM 0 HG13 ILE A 143 4.949 -3.773 -10.341 1.00 1.11 H new ATOM 0 HG21 ILE A 143 6.766 -1.231 -8.258 1.00 0.92 H new ATOM 0 HG22 ILE A 143 8.227 -2.228 -8.061 1.00 0.92 H new ATOM 0 HG23 ILE A 143 7.807 -1.571 -9.661 1.00 0.92 H new ATOM 0 HD11 ILE A 143 3.566 -1.777 -9.832 1.00 1.22 H new ATOM 0 HD12 ILE A 143 4.027 -2.616 -8.331 1.00 1.22 H new ATOM 0 HD13 ILE A 143 4.872 -1.126 -8.813 1.00 1.22 H new ATOM 2027 N SER A 144 6.335 -5.383 -11.509 1.00 1.00 N ATOM 2028 CA SER A 144 5.950 -5.584 -12.932 1.00 1.07 C ATOM 2029 C SER A 144 4.440 -5.804 -13.020 1.00 1.14 C ATOM 2030 O SER A 144 3.883 -5.922 -14.094 1.00 1.33 O ATOM 2031 CB SER A 144 6.680 -6.807 -13.489 1.00 1.17 C ATOM 2032 OG SER A 144 5.885 -7.966 -13.277 1.00 1.28 O ATOM 0 H SER A 144 5.921 -6.043 -10.851 1.00 1.00 H new ATOM 0 HA SER A 144 6.224 -4.704 -13.514 1.00 1.07 H new ATOM 0 HB2 SER A 144 6.874 -6.675 -14.553 1.00 1.17 H new ATOM 0 HB3 SER A 144 7.647 -6.921 -13.000 1.00 1.17 H new ATOM 0 HG SER A 144 6.099 -8.354 -12.403 1.00 1.28 H new ATOM 2038 N GLN A 145 3.770 -5.860 -11.900 1.00 1.08 N ATOM 2039 CA GLN A 145 2.294 -6.074 -11.936 1.00 1.29 C ATOM 2040 C GLN A 145 1.628 -5.348 -10.765 1.00 1.38 C ATOM 2041 O GLN A 145 2.267 -4.988 -9.796 1.00 1.99 O ATOM 2042 CB GLN A 145 1.986 -7.571 -11.841 1.00 1.40 C ATOM 2043 CG GLN A 145 2.888 -8.345 -12.804 1.00 1.94 C ATOM 2044 CD GLN A 145 2.372 -9.779 -12.946 1.00 2.35 C ATOM 2045 OE1 GLN A 145 1.266 -10.123 -12.347 1.00 2.30 O flip ATOM 2046 NE2 GLN A 145 2.985 -10.593 -13.607 1.00 3.30 N flip ATOM 0 H GLN A 145 4.177 -5.768 -10.969 1.00 1.08 H new ATOM 0 HA GLN A 145 1.905 -5.678 -12.874 1.00 1.29 H new ATOM 0 HB2 GLN A 145 2.143 -7.920 -10.820 1.00 1.40 H new ATOM 0 HB3 GLN A 145 0.939 -7.753 -12.083 1.00 1.40 H new ATOM 0 HG2 GLN A 145 2.904 -7.855 -13.777 1.00 1.94 H new ATOM 0 HG3 GLN A 145 3.913 -8.351 -12.433 1.00 1.94 H new ATOM 0 HE21 GLN A 145 3.850 -10.323 -14.075 1.00 3.30 H new ATOM 0 HE22 GLN A 145 2.635 -11.547 -13.694 1.00 3.30 H new ATOM 2055 N VAL A 146 0.344 -5.136 -10.853 1.00 1.54 N ATOM 2056 CA VAL A 146 -0.385 -4.440 -9.755 1.00 1.53 C ATOM 2057 C VAL A 146 -1.878 -4.759 -9.869 1.00 1.48 C ATOM 2058 O VAL A 146 -2.655 -3.970 -10.368 1.00 1.44 O ATOM 2059 CB VAL A 146 -0.174 -2.930 -9.876 1.00 1.59 C ATOM 2060 CG1 VAL A 146 -1.010 -2.213 -8.815 1.00 2.26 C ATOM 2061 CG2 VAL A 146 1.306 -2.604 -9.661 1.00 2.16 C ATOM 0 H VAL A 146 -0.236 -5.417 -11.644 1.00 1.54 H new ATOM 0 HA VAL A 146 -0.008 -4.778 -8.790 1.00 1.53 H new ATOM 0 HB VAL A 146 -0.481 -2.598 -10.868 1.00 1.59 H new ATOM 0 HG11 VAL A 146 -0.860 -1.137 -8.900 1.00 2.26 H new ATOM 0 HG12 VAL A 146 -2.064 -2.446 -8.964 1.00 2.26 H new ATOM 0 HG13 VAL A 146 -0.702 -2.545 -7.824 1.00 2.26 H new ATOM 0 HG21 VAL A 146 1.458 -1.528 -9.747 1.00 2.16 H new ATOM 0 HG22 VAL A 146 1.611 -2.935 -8.668 1.00 2.16 H new ATOM 0 HG23 VAL A 146 1.905 -3.116 -10.414 1.00 2.16 H new ATOM 2071 N SER A 147 -2.282 -5.916 -9.418 1.00 1.63 N ATOM 2072 CA SER A 147 -3.721 -6.293 -9.510 1.00 1.76 C ATOM 2073 C SER A 147 -4.509 -5.636 -8.375 1.00 2.04 C ATOM 2074 O SER A 147 -4.003 -5.433 -7.289 1.00 2.17 O ATOM 2075 CB SER A 147 -3.853 -7.813 -9.409 1.00 2.02 C ATOM 2076 OG SER A 147 -4.250 -8.335 -10.670 1.00 2.76 O ATOM 0 H SER A 147 -1.677 -6.617 -8.990 1.00 1.63 H new ATOM 0 HA SER A 147 -4.121 -5.951 -10.465 1.00 1.76 H new ATOM 0 HB2 SER A 147 -2.904 -8.252 -9.103 1.00 2.02 H new ATOM 0 HB3 SER A 147 -4.586 -8.076 -8.647 1.00 2.02 H new ATOM 0 HG SER A 147 -5.144 -8.002 -10.895 1.00 2.76 H new ATOM 2082 N LEU A 148 -5.747 -5.306 -8.621 1.00 2.31 N ATOM 2083 CA LEU A 148 -6.579 -4.665 -7.564 1.00 2.65 C ATOM 2084 C LEU A 148 -8.050 -5.016 -7.800 1.00 2.54 C ATOM 2085 O LEU A 148 -8.651 -4.591 -8.767 1.00 3.02 O ATOM 2086 CB LEU A 148 -6.392 -3.146 -7.621 1.00 3.24 C ATOM 2087 CG LEU A 148 -7.658 -2.446 -7.117 1.00 3.51 C ATOM 2088 CD1 LEU A 148 -8.056 -3.018 -5.755 1.00 4.57 C ATOM 2089 CD2 LEU A 148 -7.386 -0.947 -6.978 1.00 3.26 C ATOM 0 H LEU A 148 -6.220 -5.453 -9.513 1.00 2.31 H new ATOM 0 HA LEU A 148 -6.273 -5.027 -6.582 1.00 2.65 H new ATOM 0 HB2 LEU A 148 -5.537 -2.853 -7.012 1.00 3.24 H new ATOM 0 HB3 LEU A 148 -6.177 -2.835 -8.643 1.00 3.24 H new ATOM 0 HG LEU A 148 -8.469 -2.608 -7.827 1.00 3.51 H new ATOM 0 HD11 LEU A 148 -8.957 -2.518 -5.399 1.00 4.57 H new ATOM 0 HD12 LEU A 148 -8.248 -4.087 -5.851 1.00 4.57 H new ATOM 0 HD13 LEU A 148 -7.247 -2.858 -5.043 1.00 4.57 H new ATOM 0 HD21 LEU A 148 -8.285 -0.446 -6.619 1.00 3.26 H new ATOM 0 HD22 LEU A 148 -6.575 -0.789 -6.268 1.00 3.26 H new ATOM 0 HD23 LEU A 148 -7.104 -0.537 -7.948 1.00 3.26 H new ATOM 2101 N THR A 149 -8.634 -5.790 -6.928 1.00 2.09 N ATOM 2102 CA THR A 149 -10.065 -6.166 -7.108 1.00 2.24 C ATOM 2103 C THR A 149 -10.598 -6.785 -5.814 1.00 1.93 C ATOM 2104 O THR A 149 -10.088 -6.538 -4.739 1.00 1.84 O ATOM 2105 CB THR A 149 -10.185 -7.184 -8.244 1.00 2.53 C ATOM 2106 OG1 THR A 149 -11.547 -7.557 -8.401 1.00 3.07 O ATOM 2107 CG2 THR A 149 -9.349 -8.422 -7.914 1.00 2.42 C ATOM 0 H THR A 149 -8.183 -6.178 -6.099 1.00 2.09 H new ATOM 0 HA THR A 149 -10.645 -5.276 -7.352 1.00 2.24 H new ATOM 0 HB THR A 149 -9.820 -6.740 -9.170 1.00 2.53 H new ATOM 0 HG1 THR A 149 -11.622 -8.534 -8.388 1.00 3.07 H new ATOM 0 HG21 THR A 149 -9.436 -9.146 -8.724 1.00 2.42 H new ATOM 0 HG22 THR A 149 -8.304 -8.134 -7.794 1.00 2.42 H new ATOM 0 HG23 THR A 149 -9.710 -8.869 -6.988 1.00 2.42 H new ATOM 2115 N THR A 150 -11.622 -7.589 -5.908 1.00 1.92 N ATOM 2116 CA THR A 150 -12.189 -8.223 -4.686 1.00 1.72 C ATOM 2117 C THR A 150 -12.673 -9.633 -5.025 1.00 1.75 C ATOM 2118 O THR A 150 -12.485 -10.567 -4.271 1.00 2.00 O ATOM 2119 CB THR A 150 -13.361 -7.382 -4.173 1.00 1.59 C ATOM 2120 OG1 THR A 150 -13.448 -7.506 -2.760 1.00 1.52 O ATOM 2121 CG2 THR A 150 -14.669 -7.859 -4.810 1.00 1.66 C ATOM 0 H THR A 150 -12.090 -7.834 -6.780 1.00 1.92 H new ATOM 0 HA THR A 150 -11.423 -8.281 -3.913 1.00 1.72 H new ATOM 0 HB THR A 150 -13.196 -6.338 -4.441 1.00 1.59 H new ATOM 0 HG1 THR A 150 -13.016 -6.735 -2.337 1.00 1.52 H new ATOM 0 HG21 THR A 150 -15.496 -7.254 -4.438 1.00 1.66 H new ATOM 0 HG22 THR A 150 -14.604 -7.758 -5.893 1.00 1.66 H new ATOM 0 HG23 THR A 150 -14.839 -8.904 -4.552 1.00 1.66 H new