USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=31 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 69 SER OG : rot 180:sc= -3.83! USER MOD Set 1.2: A 147 SER OG : rot 176:sc= 0 USER MOD Set 2.1: A 56 ASN : amide:sc= -2.53 K(o=-5.1,f=-6.8!) USER MOD Set 2.2: A 128 GLN :FLIP amide:sc= -2.58! C(o=-6.8!,f=-5.1!) USER MOD Set 3.1: A 27 THR OG1 : rot -95:sc= -4.93! USER MOD Set 3.2: A 28 SER OG : rot 39:sc= -1.48! USER MOD Single : A 12 HIS : no HD1:sc= -2.61! C(o=-2.6!,f=-3.4!) USER MOD Single : A 13 THR OG1 : rot -76:sc= -1.2! USER MOD Single : A 14 SER OG : rot -65:sc= 1.17 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 33:sc= 0.582 USER MOD Single : A 25 TYR OH : rot 14:sc= -2.3! USER MOD Single : A 37 MET CE :methyl -175:sc= -5.71! (180deg=-5.81!) USER MOD Single : A 45 GLN : amide:sc= -4.04! C(o=-4!,f=-6.7!) USER MOD Single : A 47 ASN : amide:sc= -12.3! C(o=-12!,f=-16!) USER MOD Single : A 55 TYR OH : rot -15:sc= -1.16 USER MOD Single : A 65 SER OG : rot 170:sc= -1.73 USER MOD Single : A 66 TYR OH : rot 85:sc= 0.0132 USER MOD Single : A 71 THR OG1 : rot 32:sc= -6.45! USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= -1.37 USER MOD Single : A 78 MET CE :methyl 171:sc= -1.5 (180deg=-1.76) USER MOD Single : A 93 THR OG1 : rot 104:sc= 0.00664! USER MOD Single : A 97 GLN : amide:sc= -0.0798 K(o=-0.08,f=-2!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -131:sc= 0.424! USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0717 USER MOD Single : A 111 TYR OH : rot -15:sc= -0.926 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0644 USER MOD Single : A 115 SER OG : rot 62:sc= -1.23! USER MOD Single : A 116 ASN : amide:sc= -0.221! C(o=-0.22!,f=-11!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0825 USER MOD Single : A 132 HIS : no HD1:sc= -6.77! C(o=-6.8!,f=-11!) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 TYR OH : rot -169:sc= -4.99! USER MOD Single : A 144 SER OG : rot 180:sc= -1.22 USER MOD Single : A 145 GLN :FLIP amide:sc= -2.22! C(o=-2.8!,f=-2.2!) USER MOD Single : A 149 THR OG1 : rot 96:sc= -0.15! USER MOD Single : A 150 THR OG1 : rot 23:sc= -0.536 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 7 -12.816 -9.355 -10.563 1.00 2.11 N ATOM 82 CA VAL A 7 -13.107 -8.041 -11.204 1.00 2.12 C ATOM 83 C VAL A 7 -11.804 -7.255 -11.366 1.00 2.11 C ATOM 84 O VAL A 7 -10.938 -7.290 -10.515 1.00 2.83 O ATOM 85 CB VAL A 7 -14.076 -7.248 -10.326 1.00 2.16 C ATOM 86 CG1 VAL A 7 -14.795 -6.199 -11.176 1.00 2.17 C ATOM 87 CG2 VAL A 7 -15.105 -8.201 -9.715 1.00 2.42 C ATOM 0 HA VAL A 7 -13.557 -8.205 -12.183 1.00 2.12 H new ATOM 0 HB VAL A 7 -13.521 -6.751 -9.530 1.00 2.16 H new ATOM 0 HG11 VAL A 7 -15.485 -5.634 -10.550 1.00 2.17 H new ATOM 0 HG12 VAL A 7 -14.062 -5.520 -11.612 1.00 2.17 H new ATOM 0 HG13 VAL A 7 -15.350 -6.694 -11.973 1.00 2.17 H new ATOM 0 HG21 VAL A 7 -15.796 -7.637 -9.089 1.00 2.42 H new ATOM 0 HG22 VAL A 7 -15.659 -8.697 -10.512 1.00 2.42 H new ATOM 0 HG23 VAL A 7 -14.594 -8.949 -9.109 1.00 2.42 H new ATOM 97 N GLU A 8 -11.658 -6.546 -12.452 1.00 1.96 N ATOM 98 CA GLU A 8 -10.411 -5.760 -12.666 1.00 2.32 C ATOM 99 C GLU A 8 -10.770 -4.299 -12.942 1.00 2.30 C ATOM 100 O GLU A 8 -10.894 -3.883 -14.076 1.00 2.59 O ATOM 101 CB GLU A 8 -9.646 -6.331 -13.862 1.00 3.06 C ATOM 102 CG GLU A 8 -8.145 -6.130 -13.653 1.00 3.55 C ATOM 103 CD GLU A 8 -7.605 -7.226 -12.733 1.00 4.20 C ATOM 104 OE1 GLU A 8 -7.994 -8.368 -12.913 1.00 4.42 O ATOM 105 OE2 GLU A 8 -6.811 -6.904 -11.863 1.00 4.75 O ATOM 0 H GLU A 8 -12.348 -6.477 -13.200 1.00 1.96 H new ATOM 0 HA GLU A 8 -9.787 -5.819 -11.774 1.00 2.32 H new ATOM 0 HB2 GLU A 8 -9.869 -7.392 -13.976 1.00 3.06 H new ATOM 0 HB3 GLU A 8 -9.965 -5.838 -14.780 1.00 3.06 H new ATOM 0 HG2 GLU A 8 -7.627 -6.158 -14.612 1.00 3.55 H new ATOM 0 HG3 GLU A 8 -7.956 -5.149 -13.217 1.00 3.55 H new ATOM 112 N LEU A 9 -10.936 -3.514 -11.912 1.00 2.76 N ATOM 113 CA LEU A 9 -11.284 -2.081 -12.115 1.00 3.48 C ATOM 114 C LEU A 9 -10.162 -1.391 -12.894 1.00 3.43 C ATOM 115 O LEU A 9 -10.399 -0.499 -13.684 1.00 4.12 O ATOM 116 CB LEU A 9 -11.455 -1.403 -10.755 1.00 3.72 C ATOM 117 CG LEU A 9 -12.913 -1.515 -10.306 1.00 4.22 C ATOM 118 CD1 LEU A 9 -13.254 -2.983 -10.042 1.00 4.95 C ATOM 119 CD2 LEU A 9 -13.115 -0.706 -9.024 1.00 3.49 C ATOM 0 H LEU A 9 -10.845 -3.805 -10.939 1.00 2.76 H new ATOM 0 HA LEU A 9 -12.215 -2.007 -12.677 1.00 3.48 H new ATOM 0 HB2 LEU A 9 -10.800 -1.870 -10.019 1.00 3.72 H new ATOM 0 HB3 LEU A 9 -11.164 -0.355 -10.821 1.00 3.72 H new ATOM 0 HG LEU A 9 -13.565 -1.126 -11.088 1.00 4.22 H new ATOM 0 HD11 LEU A 9 -14.293 -3.063 -9.722 1.00 4.95 H new ATOM 0 HD12 LEU A 9 -13.110 -3.560 -10.956 1.00 4.95 H new ATOM 0 HD13 LEU A 9 -12.602 -3.373 -9.260 1.00 4.95 H new ATOM 0 HD21 LEU A 9 -14.154 -0.785 -8.704 1.00 3.49 H new ATOM 0 HD22 LEU A 9 -12.463 -1.095 -8.242 1.00 3.49 H new ATOM 0 HD23 LEU A 9 -12.872 0.340 -9.212 1.00 3.49 H new ATOM 131 N LEU A 10 -8.942 -1.800 -12.678 1.00 2.81 N ATOM 132 CA LEU A 10 -7.804 -1.170 -13.406 1.00 2.72 C ATOM 133 C LEU A 10 -7.274 -2.166 -14.441 1.00 2.86 C ATOM 134 O LEU A 10 -6.476 -3.026 -14.124 1.00 2.83 O ATOM 135 CB LEU A 10 -6.697 -0.835 -12.398 1.00 2.41 C ATOM 136 CG LEU A 10 -5.545 -0.033 -13.033 1.00 2.12 C ATOM 137 CD1 LEU A 10 -4.400 -0.979 -13.398 1.00 1.99 C ATOM 138 CD2 LEU A 10 -6.001 0.707 -14.296 1.00 2.07 C ATOM 0 H LEU A 10 -8.684 -2.543 -12.029 1.00 2.81 H new ATOM 0 HA LEU A 10 -8.129 -0.258 -13.907 1.00 2.72 H new ATOM 0 HB2 LEU A 10 -7.122 -0.263 -11.573 1.00 2.41 H new ATOM 0 HB3 LEU A 10 -6.303 -1.759 -11.976 1.00 2.41 H new ATOM 0 HG LEU A 10 -5.212 0.704 -12.303 1.00 2.12 H new ATOM 0 HD11 LEU A 10 -3.586 -0.409 -13.847 1.00 1.99 H new ATOM 0 HD12 LEU A 10 -4.040 -1.479 -12.499 1.00 1.99 H new ATOM 0 HD13 LEU A 10 -4.756 -1.724 -14.109 1.00 1.99 H new ATOM 0 HD21 LEU A 10 -5.162 1.261 -14.716 1.00 2.07 H new ATOM 0 HD22 LEU A 10 -6.363 -0.014 -15.029 1.00 2.07 H new ATOM 0 HD23 LEU A 10 -6.803 1.400 -14.042 1.00 2.07 H new ATOM 150 N PRO A 11 -7.721 -2.068 -15.666 1.00 3.10 N ATOM 151 CA PRO A 11 -7.282 -2.995 -16.744 1.00 3.32 C ATOM 152 C PRO A 11 -5.842 -2.721 -17.184 1.00 2.96 C ATOM 153 O PRO A 11 -5.551 -2.609 -18.359 1.00 3.09 O ATOM 154 CB PRO A 11 -8.260 -2.730 -17.889 1.00 3.83 C ATOM 155 CG PRO A 11 -8.812 -1.363 -17.653 1.00 3.73 C ATOM 156 CD PRO A 11 -8.683 -1.067 -16.157 1.00 3.29 C ATOM 0 HA PRO A 11 -7.289 -4.033 -16.412 1.00 3.32 H new ATOM 0 HB2 PRO A 11 -7.755 -2.785 -18.854 1.00 3.83 H new ATOM 0 HB3 PRO A 11 -9.056 -3.475 -17.902 1.00 3.83 H new ATOM 0 HG2 PRO A 11 -8.267 -0.623 -18.239 1.00 3.73 H new ATOM 0 HG3 PRO A 11 -9.855 -1.311 -17.966 1.00 3.73 H new ATOM 0 HD2 PRO A 11 -8.324 -0.053 -15.982 1.00 3.29 H new ATOM 0 HD3 PRO A 11 -9.644 -1.157 -15.650 1.00 3.29 H new ATOM 164 N HIS A 12 -4.940 -2.613 -16.247 1.00 2.52 N ATOM 165 CA HIS A 12 -3.520 -2.349 -16.611 1.00 2.16 C ATOM 166 C HIS A 12 -2.598 -2.915 -15.529 1.00 1.83 C ATOM 167 O HIS A 12 -2.772 -2.660 -14.353 1.00 1.69 O ATOM 168 CB HIS A 12 -3.295 -0.840 -16.735 1.00 2.13 C ATOM 169 CG HIS A 12 -1.885 -0.579 -17.188 1.00 1.93 C ATOM 170 ND1 HIS A 12 -1.481 -0.776 -18.499 1.00 1.98 N ATOM 171 CD2 HIS A 12 -0.772 -0.138 -16.515 1.00 1.81 C ATOM 172 CE1 HIS A 12 -0.177 -0.458 -18.575 1.00 1.94 C ATOM 173 NE2 HIS A 12 0.305 -0.062 -17.394 1.00 1.82 N ATOM 0 H HIS A 12 -5.125 -2.696 -15.247 1.00 2.52 H new ATOM 0 HA HIS A 12 -3.297 -2.829 -17.564 1.00 2.16 H new ATOM 0 HB2 HIS A 12 -4.002 -0.413 -17.447 1.00 2.13 H new ATOM 0 HB3 HIS A 12 -3.476 -0.354 -15.776 1.00 2.13 H new ATOM 0 HD2 HIS A 12 -0.738 0.112 -15.465 1.00 1.81 H new ATOM 0 HE1 HIS A 12 0.409 -0.516 -19.480 1.00 1.94 H new ATOM 0 HE2 HIS A 12 1.258 0.233 -17.182 1.00 1.82 H new ATOM 181 N THR A 13 -1.615 -3.682 -15.915 1.00 1.82 N ATOM 182 CA THR A 13 -0.683 -4.263 -14.909 1.00 1.56 C ATOM 183 C THR A 13 0.537 -4.849 -15.622 1.00 1.39 C ATOM 184 O THR A 13 0.841 -6.017 -15.496 1.00 1.58 O ATOM 185 CB THR A 13 -1.398 -5.369 -14.130 1.00 1.72 C ATOM 186 OG1 THR A 13 -0.435 -6.249 -13.568 1.00 1.59 O ATOM 187 CG2 THR A 13 -2.315 -6.149 -15.075 1.00 1.97 C ATOM 0 H THR A 13 -1.417 -3.931 -16.884 1.00 1.82 H new ATOM 0 HA THR A 13 -0.361 -3.483 -14.220 1.00 1.56 H new ATOM 0 HB THR A 13 -1.994 -4.926 -13.332 1.00 1.72 H new ATOM 0 HG1 THR A 13 -0.075 -6.831 -14.269 1.00 1.59 H new ATOM 0 HG21 THR A 13 -2.824 -6.937 -14.520 1.00 1.97 H new ATOM 0 HG22 THR A 13 -3.054 -5.473 -15.506 1.00 1.97 H new ATOM 0 HG23 THR A 13 -1.721 -6.594 -15.874 1.00 1.97 H new ATOM 195 N SER A 14 1.239 -4.045 -16.374 1.00 1.20 N ATOM 196 CA SER A 14 2.438 -4.557 -17.094 1.00 1.07 C ATOM 197 C SER A 14 3.445 -3.421 -17.284 1.00 1.04 C ATOM 198 O SER A 14 3.694 -2.978 -18.388 1.00 1.10 O ATOM 199 CB SER A 14 2.018 -5.100 -18.461 1.00 1.14 C ATOM 200 OG SER A 14 3.138 -5.087 -19.335 1.00 1.96 O ATOM 0 H SER A 14 1.034 -3.057 -16.520 1.00 1.20 H new ATOM 0 HA SER A 14 2.898 -5.355 -16.511 1.00 1.07 H new ATOM 0 HB2 SER A 14 1.633 -6.115 -18.360 1.00 1.14 H new ATOM 0 HB3 SER A 14 1.212 -4.493 -18.874 1.00 1.14 H new ATOM 0 HG SER A 14 3.411 -4.161 -19.503 1.00 1.96 H new ATOM 206 N PHE A 15 4.029 -2.948 -16.217 1.00 1.01 N ATOM 207 CA PHE A 15 5.022 -1.843 -16.339 1.00 1.00 C ATOM 208 C PHE A 15 6.211 -2.328 -17.173 1.00 1.00 C ATOM 209 O PHE A 15 7.350 -2.026 -16.880 1.00 0.98 O ATOM 210 CB PHE A 15 5.516 -1.444 -14.947 1.00 0.98 C ATOM 211 CG PHE A 15 4.496 -0.564 -14.258 1.00 0.88 C ATOM 212 CD1 PHE A 15 3.155 -0.571 -14.665 1.00 1.11 C ATOM 213 CD2 PHE A 15 4.899 0.259 -13.198 1.00 1.74 C ATOM 214 CE1 PHE A 15 2.221 0.244 -14.014 1.00 1.14 C ATOM 215 CE2 PHE A 15 3.965 1.074 -12.547 1.00 1.76 C ATOM 216 CZ PHE A 15 2.626 1.066 -12.955 1.00 0.95 C ATOM 0 H PHE A 15 3.862 -3.279 -15.267 1.00 1.01 H new ATOM 0 HA PHE A 15 4.555 -0.984 -16.821 1.00 1.00 H new ATOM 0 HB2 PHE A 15 5.699 -2.337 -14.349 1.00 0.98 H new ATOM 0 HB3 PHE A 15 6.466 -0.915 -15.029 1.00 0.98 H new ATOM 0 HD1 PHE A 15 2.842 -1.205 -15.481 1.00 1.11 H new ATOM 0 HD2 PHE A 15 5.932 0.265 -12.883 1.00 1.74 H new ATOM 0 HE1 PHE A 15 1.188 0.239 -14.329 1.00 1.14 H new ATOM 0 HE2 PHE A 15 4.277 1.708 -11.731 1.00 1.76 H new ATOM 0 HZ PHE A 15 1.905 1.694 -12.453 1.00 0.95 H new ATOM 226 N ALA A 16 5.954 -3.086 -18.204 1.00 1.06 N ATOM 227 CA ALA A 16 7.071 -3.598 -19.047 1.00 1.09 C ATOM 228 C ALA A 16 7.419 -2.572 -20.128 1.00 1.10 C ATOM 229 O ALA A 16 8.569 -2.395 -20.479 1.00 1.18 O ATOM 230 CB ALA A 16 6.650 -4.911 -19.708 1.00 1.14 C ATOM 0 H ALA A 16 5.020 -3.372 -18.498 1.00 1.06 H new ATOM 0 HA ALA A 16 7.945 -3.768 -18.419 1.00 1.09 H new ATOM 0 HB1 ALA A 16 7.467 -5.286 -20.325 1.00 1.14 H new ATOM 0 HB2 ALA A 16 6.410 -5.645 -18.939 1.00 1.14 H new ATOM 0 HB3 ALA A 16 5.773 -4.739 -20.332 1.00 1.14 H new ATOM 236 N GLU A 17 6.440 -1.899 -20.664 1.00 1.15 N ATOM 237 CA GLU A 17 6.725 -0.894 -21.724 1.00 1.19 C ATOM 238 C GLU A 17 6.442 0.511 -21.188 1.00 1.29 C ATOM 239 O GLU A 17 7.305 1.367 -21.177 1.00 1.41 O ATOM 240 CB GLU A 17 5.830 -1.169 -22.933 1.00 1.32 C ATOM 241 CG GLU A 17 6.546 -2.121 -23.893 1.00 1.41 C ATOM 242 CD GLU A 17 7.649 -1.364 -24.635 1.00 1.67 C ATOM 243 OE1 GLU A 17 7.314 -0.532 -25.463 1.00 1.96 O ATOM 244 OE2 GLU A 17 8.808 -1.630 -24.365 1.00 2.13 O ATOM 0 H GLU A 17 5.456 -2.001 -20.414 1.00 1.15 H new ATOM 0 HA GLU A 17 7.772 -0.963 -22.020 1.00 1.19 H new ATOM 0 HB2 GLU A 17 4.886 -1.606 -22.608 1.00 1.32 H new ATOM 0 HB3 GLU A 17 5.591 -0.235 -23.441 1.00 1.32 H new ATOM 0 HG2 GLU A 17 6.973 -2.958 -23.341 1.00 1.41 H new ATOM 0 HG3 GLU A 17 5.835 -2.539 -24.605 1.00 1.41 H new ATOM 251 N SER A 18 5.241 0.758 -20.745 1.00 1.41 N ATOM 252 CA SER A 18 4.909 2.109 -20.212 1.00 1.64 C ATOM 253 C SER A 18 4.276 1.969 -18.826 1.00 1.51 C ATOM 254 O SER A 18 3.530 1.048 -18.563 1.00 1.30 O ATOM 255 CB SER A 18 3.923 2.802 -21.153 1.00 2.02 C ATOM 256 OG SER A 18 2.857 1.912 -21.456 1.00 2.26 O ATOM 0 H SER A 18 4.476 0.084 -20.729 1.00 1.41 H new ATOM 0 HA SER A 18 5.820 2.703 -20.139 1.00 1.64 H new ATOM 0 HB2 SER A 18 3.534 3.708 -20.688 1.00 2.02 H new ATOM 0 HB3 SER A 18 4.429 3.106 -22.069 1.00 2.02 H new ATOM 0 HG SER A 18 2.223 2.354 -22.058 1.00 2.26 H new ATOM 262 N LEU A 19 4.568 2.880 -17.939 1.00 1.67 N ATOM 263 CA LEU A 19 3.984 2.800 -16.571 1.00 1.59 C ATOM 264 C LEU A 19 2.457 2.733 -16.671 1.00 1.72 C ATOM 265 O LEU A 19 1.780 2.378 -15.728 1.00 2.45 O ATOM 266 CB LEU A 19 4.389 4.039 -15.768 1.00 1.61 C ATOM 267 CG LEU A 19 3.830 5.293 -16.441 1.00 1.71 C ATOM 268 CD1 LEU A 19 4.026 6.499 -15.520 1.00 2.60 C ATOM 269 CD2 LEU A 19 4.570 5.534 -17.759 1.00 1.37 C ATOM 0 H LEU A 19 5.185 3.676 -18.102 1.00 1.67 H new ATOM 0 HA LEU A 19 4.355 1.906 -16.070 1.00 1.59 H new ATOM 0 HB2 LEU A 19 4.012 3.963 -14.748 1.00 1.61 H new ATOM 0 HB3 LEU A 19 5.475 4.103 -15.702 1.00 1.61 H new ATOM 0 HG LEU A 19 2.767 5.156 -16.638 1.00 1.71 H new ATOM 0 HD11 LEU A 19 3.627 7.392 -16.001 1.00 2.60 H new ATOM 0 HD12 LEU A 19 3.502 6.328 -14.580 1.00 2.60 H new ATOM 0 HD13 LEU A 19 5.089 6.637 -15.323 1.00 2.60 H new ATOM 0 HD21 LEU A 19 4.173 6.428 -18.241 1.00 1.37 H new ATOM 0 HD22 LEU A 19 5.633 5.671 -17.560 1.00 1.37 H new ATOM 0 HD23 LEU A 19 4.432 4.676 -18.416 1.00 1.37 H new ATOM 281 N GLY A 20 1.912 3.071 -17.808 1.00 1.44 N ATOM 282 CA GLY A 20 0.431 3.027 -17.966 1.00 1.58 C ATOM 283 C GLY A 20 -0.181 4.317 -17.419 1.00 1.59 C ATOM 284 O GLY A 20 0.463 5.347 -17.376 1.00 1.62 O ATOM 0 H GLY A 20 2.428 3.375 -18.633 1.00 1.44 H new ATOM 0 HA2 GLY A 20 0.171 2.906 -19.018 1.00 1.58 H new ATOM 0 HA3 GLY A 20 0.024 2.166 -17.436 1.00 1.58 H new ATOM 288 N PRO A 21 -1.418 4.261 -17.003 1.00 1.60 N ATOM 289 CA PRO A 21 -2.135 5.443 -16.448 1.00 1.60 C ATOM 290 C PRO A 21 -1.737 5.729 -14.998 1.00 1.43 C ATOM 291 O PRO A 21 -2.053 6.765 -14.449 1.00 1.67 O ATOM 292 CB PRO A 21 -3.607 5.042 -16.533 1.00 1.68 C ATOM 293 CG PRO A 21 -3.622 3.550 -16.483 1.00 1.70 C ATOM 294 CD PRO A 21 -2.271 3.062 -17.016 1.00 1.63 C ATOM 0 HA PRO A 21 -1.901 6.357 -16.994 1.00 1.60 H new ATOM 0 HB2 PRO A 21 -4.177 5.467 -15.707 1.00 1.68 H new ATOM 0 HB3 PRO A 21 -4.060 5.408 -17.455 1.00 1.68 H new ATOM 0 HG2 PRO A 21 -3.781 3.201 -15.463 1.00 1.70 H new ATOM 0 HG3 PRO A 21 -4.439 3.154 -17.086 1.00 1.70 H new ATOM 0 HD2 PRO A 21 -1.857 2.273 -16.388 1.00 1.63 H new ATOM 0 HD3 PRO A 21 -2.365 2.652 -18.022 1.00 1.63 H new ATOM 302 N TRP A 22 -1.041 4.817 -14.374 1.00 1.30 N ATOM 303 CA TRP A 22 -0.618 5.036 -12.964 1.00 1.15 C ATOM 304 C TRP A 22 0.360 6.211 -12.906 1.00 1.24 C ATOM 305 O TRP A 22 0.463 6.990 -13.832 1.00 1.48 O ATOM 306 CB TRP A 22 0.067 3.773 -12.438 1.00 1.19 C ATOM 307 CG TRP A 22 -0.965 2.737 -12.120 1.00 1.24 C ATOM 308 CD1 TRP A 22 -2.009 2.412 -12.916 1.00 1.40 C ATOM 309 CD2 TRP A 22 -1.071 1.889 -10.939 1.00 1.50 C ATOM 310 NE1 TRP A 22 -2.749 1.419 -12.301 1.00 1.52 N ATOM 311 CE2 TRP A 22 -2.211 1.062 -11.080 1.00 1.59 C ATOM 312 CE3 TRP A 22 -0.298 1.757 -9.773 1.00 1.94 C ATOM 313 CZ2 TRP A 22 -2.571 0.137 -10.097 1.00 1.97 C ATOM 314 CZ3 TRP A 22 -0.655 0.829 -8.782 1.00 2.42 C ATOM 315 CH2 TRP A 22 -1.789 0.020 -8.943 1.00 2.39 C ATOM 0 H TRP A 22 -0.748 3.929 -14.782 1.00 1.30 H new ATOM 0 HA TRP A 22 -1.490 5.258 -12.349 1.00 1.15 H new ATOM 0 HB2 TRP A 22 0.765 3.389 -13.182 1.00 1.19 H new ATOM 0 HB3 TRP A 22 0.649 4.007 -11.546 1.00 1.19 H new ATOM 0 HD1 TRP A 22 -2.229 2.856 -13.876 1.00 1.40 H new ATOM 0 HE1 TRP A 22 -3.589 1.001 -12.700 1.00 1.52 H new ATOM 0 HE3 TRP A 22 0.578 2.374 -9.638 1.00 1.94 H new ATOM 0 HZ2 TRP A 22 -3.446 -0.483 -10.227 1.00 1.97 H new ATOM 0 HZ3 TRP A 22 -0.053 0.738 -7.890 1.00 2.42 H new ATOM 0 HH2 TRP A 22 -2.058 -0.692 -8.177 1.00 2.39 H new ATOM 326 N SER A 23 1.081 6.345 -11.826 1.00 1.20 N ATOM 327 CA SER A 23 2.053 7.470 -11.715 1.00 1.36 C ATOM 328 C SER A 23 3.138 7.103 -10.701 1.00 1.28 C ATOM 329 O SER A 23 2.986 6.183 -9.921 1.00 1.33 O ATOM 330 CB SER A 23 1.322 8.731 -11.253 1.00 1.45 C ATOM 331 OG SER A 23 0.868 9.453 -12.390 1.00 1.64 O ATOM 0 H SER A 23 1.039 5.725 -11.017 1.00 1.20 H new ATOM 0 HA SER A 23 2.512 7.655 -12.686 1.00 1.36 H new ATOM 0 HB2 SER A 23 0.478 8.464 -10.617 1.00 1.45 H new ATOM 0 HB3 SER A 23 1.988 9.353 -10.655 1.00 1.45 H new ATOM 0 HG SER A 23 0.639 8.825 -13.106 1.00 1.64 H new ATOM 337 N LEU A 24 4.234 7.812 -10.704 1.00 1.31 N ATOM 338 CA LEU A 24 5.325 7.496 -9.740 1.00 1.25 C ATOM 339 C LEU A 24 6.359 8.623 -9.740 1.00 1.30 C ATOM 340 O LEU A 24 6.440 9.403 -10.667 1.00 1.47 O ATOM 341 CB LEU A 24 6.000 6.184 -10.143 1.00 1.40 C ATOM 342 CG LEU A 24 6.125 6.113 -11.665 1.00 1.44 C ATOM 343 CD1 LEU A 24 7.171 7.121 -12.142 1.00 2.02 C ATOM 344 CD2 LEU A 24 6.557 4.702 -12.065 1.00 2.05 C ATOM 0 H LEU A 24 4.420 8.595 -11.331 1.00 1.31 H new ATOM 0 HA LEU A 24 4.902 7.396 -8.740 1.00 1.25 H new ATOM 0 HB2 LEU A 24 6.986 6.116 -9.684 1.00 1.40 H new ATOM 0 HB3 LEU A 24 5.419 5.338 -9.777 1.00 1.40 H new ATOM 0 HG LEU A 24 5.164 6.349 -12.123 1.00 1.44 H new ATOM 0 HD11 LEU A 24 7.258 7.069 -13.227 1.00 2.02 H new ATOM 0 HD12 LEU A 24 6.867 8.126 -11.851 1.00 2.02 H new ATOM 0 HD13 LEU A 24 8.134 6.888 -11.689 1.00 2.02 H new ATOM 0 HD21 LEU A 24 6.648 4.643 -13.150 1.00 2.05 H new ATOM 0 HD22 LEU A 24 7.519 4.472 -11.607 1.00 2.05 H new ATOM 0 HD23 LEU A 24 5.812 3.983 -11.724 1.00 2.05 H new ATOM 356 N TYR A 25 7.148 8.715 -8.704 1.00 1.23 N ATOM 357 CA TYR A 25 8.174 9.794 -8.644 1.00 1.38 C ATOM 358 C TYR A 25 8.736 9.888 -7.224 1.00 1.34 C ATOM 359 O TYR A 25 8.315 9.182 -6.331 1.00 1.42 O ATOM 360 CB TYR A 25 7.531 11.128 -9.025 1.00 1.72 C ATOM 361 CG TYR A 25 6.057 11.091 -8.698 1.00 1.09 C ATOM 362 CD1 TYR A 25 5.605 10.383 -7.577 1.00 1.22 C ATOM 363 CD2 TYR A 25 5.141 11.766 -9.515 1.00 1.62 C ATOM 364 CE1 TYR A 25 4.238 10.348 -7.274 1.00 1.27 C ATOM 365 CE2 TYR A 25 3.775 11.730 -9.212 1.00 1.57 C ATOM 366 CZ TYR A 25 3.323 11.022 -8.092 1.00 1.08 C ATOM 367 OH TYR A 25 1.977 10.989 -7.794 1.00 1.63 O ATOM 0 H TYR A 25 7.126 8.090 -7.898 1.00 1.23 H new ATOM 0 HA TYR A 25 8.982 9.566 -9.339 1.00 1.38 H new ATOM 0 HB2 TYR A 25 8.013 11.943 -8.485 1.00 1.72 H new ATOM 0 HB3 TYR A 25 7.673 11.321 -10.088 1.00 1.72 H new ATOM 0 HD1 TYR A 25 6.311 9.864 -6.946 1.00 1.22 H new ATOM 0 HD2 TYR A 25 5.489 12.314 -10.378 1.00 1.62 H new ATOM 0 HE1 TYR A 25 3.890 9.801 -6.410 1.00 1.27 H new ATOM 0 HE2 TYR A 25 3.069 12.249 -9.843 1.00 1.57 H new ATOM 0 HH TYR A 25 1.852 10.653 -6.882 1.00 1.63 H new ATOM 377 N GLY A 26 9.682 10.761 -7.008 1.00 1.33 N ATOM 378 CA GLY A 26 10.265 10.907 -5.644 1.00 1.32 C ATOM 379 C GLY A 26 11.493 10.005 -5.502 1.00 1.25 C ATOM 380 O GLY A 26 12.357 10.248 -4.683 1.00 1.70 O ATOM 0 H GLY A 26 10.076 11.379 -7.717 1.00 1.33 H new ATOM 0 HA2 GLY A 26 10.544 11.946 -5.468 1.00 1.32 H new ATOM 0 HA3 GLY A 26 9.521 10.645 -4.891 1.00 1.32 H new ATOM 384 N THR A 27 11.583 8.968 -6.289 1.00 0.93 N ATOM 385 CA THR A 27 12.762 8.062 -6.185 1.00 0.90 C ATOM 386 C THR A 27 13.640 8.230 -7.429 1.00 0.92 C ATOM 387 O THR A 27 13.799 9.319 -7.947 1.00 0.97 O ATOM 388 CB THR A 27 12.268 6.611 -6.070 1.00 0.88 C ATOM 389 OG1 THR A 27 13.095 5.739 -6.825 1.00 0.73 O ATOM 390 CG2 THR A 27 10.831 6.517 -6.582 1.00 0.95 C ATOM 0 H THR A 27 10.895 8.710 -6.996 1.00 0.93 H new ATOM 0 HA THR A 27 13.352 8.310 -5.302 1.00 0.90 H new ATOM 0 HB THR A 27 12.308 6.313 -5.022 1.00 0.88 H new ATOM 0 HG1 THR A 27 12.700 5.599 -7.711 1.00 0.73 H new ATOM 0 HG21 THR A 27 10.482 5.488 -6.500 1.00 0.95 H new ATOM 0 HG22 THR A 27 10.189 7.166 -5.986 1.00 0.95 H new ATOM 0 HG23 THR A 27 10.795 6.830 -7.625 1.00 0.95 H new ATOM 398 N SER A 28 14.203 7.163 -7.917 1.00 1.12 N ATOM 399 CA SER A 28 15.062 7.254 -9.129 1.00 1.40 C ATOM 400 C SER A 28 14.199 7.030 -10.372 1.00 1.29 C ATOM 401 O SER A 28 13.447 6.080 -10.450 1.00 0.98 O ATOM 402 CB SER A 28 16.152 6.184 -9.065 1.00 1.80 C ATOM 403 OG SER A 28 15.552 4.916 -8.837 1.00 1.73 O ATOM 0 H SER A 28 14.105 6.226 -7.527 1.00 1.12 H new ATOM 0 HA SER A 28 15.527 8.239 -9.176 1.00 1.40 H new ATOM 0 HB2 SER A 28 16.718 6.169 -9.996 1.00 1.80 H new ATOM 0 HB3 SER A 28 16.857 6.414 -8.267 1.00 1.80 H new ATOM 0 HG SER A 28 14.717 4.853 -9.347 1.00 1.73 H new ATOM 409 N GLU A 29 14.300 7.894 -11.344 1.00 1.62 N ATOM 410 CA GLU A 29 13.483 7.721 -12.578 1.00 1.60 C ATOM 411 C GLU A 29 13.353 6.227 -12.890 1.00 1.23 C ATOM 412 O GLU A 29 14.257 5.625 -13.434 1.00 1.37 O ATOM 413 CB GLU A 29 14.175 8.426 -13.747 1.00 2.07 C ATOM 414 CG GLU A 29 15.692 8.290 -13.600 1.00 1.86 C ATOM 415 CD GLU A 29 16.277 9.609 -13.091 1.00 1.99 C ATOM 416 OE1 GLU A 29 16.156 10.597 -13.796 1.00 2.40 O ATOM 417 OE2 GLU A 29 16.834 9.608 -12.006 1.00 2.35 O ATOM 0 H GLU A 29 14.911 8.710 -11.337 1.00 1.62 H new ATOM 0 HA GLU A 29 12.493 8.152 -12.427 1.00 1.60 H new ATOM 0 HB2 GLU A 29 13.850 7.990 -14.692 1.00 2.07 H new ATOM 0 HB3 GLU A 29 13.894 9.479 -13.768 1.00 2.07 H new ATOM 0 HG2 GLU A 29 15.930 7.483 -12.907 1.00 1.86 H new ATOM 0 HG3 GLU A 29 16.139 8.028 -14.559 1.00 1.86 H new ATOM 424 N PRO A 30 12.240 5.629 -12.550 1.00 0.95 N ATOM 425 CA PRO A 30 12.005 4.179 -12.799 1.00 0.81 C ATOM 426 C PRO A 30 12.411 3.777 -14.219 1.00 0.80 C ATOM 427 O PRO A 30 12.424 4.591 -15.121 1.00 0.86 O ATOM 428 CB PRO A 30 10.497 4.017 -12.605 1.00 0.94 C ATOM 429 CG PRO A 30 10.094 5.119 -11.681 1.00 1.13 C ATOM 430 CD PRO A 30 11.084 6.265 -11.893 1.00 1.10 C ATOM 0 HA PRO A 30 12.595 3.546 -12.136 1.00 0.81 H new ATOM 0 HB2 PRO A 30 9.969 4.089 -13.556 1.00 0.94 H new ATOM 0 HB3 PRO A 30 10.258 3.042 -12.181 1.00 0.94 H new ATOM 0 HG2 PRO A 30 9.076 5.445 -11.891 1.00 1.13 H new ATOM 0 HG3 PRO A 30 10.113 4.780 -10.645 1.00 1.13 H new ATOM 0 HD2 PRO A 30 10.656 7.051 -12.515 1.00 1.10 H new ATOM 0 HD3 PRO A 30 11.368 6.726 -10.947 1.00 1.10 H new ATOM 438 N VAL A 31 12.754 2.536 -14.429 1.00 0.80 N ATOM 439 CA VAL A 31 13.164 2.112 -15.797 1.00 0.82 C ATOM 440 C VAL A 31 12.566 0.744 -16.133 1.00 0.78 C ATOM 441 O VAL A 31 12.895 -0.254 -15.523 1.00 0.84 O ATOM 442 CB VAL A 31 14.691 2.027 -15.863 1.00 0.92 C ATOM 443 CG1 VAL A 31 15.102 1.096 -17.004 1.00 0.99 C ATOM 444 CG2 VAL A 31 15.269 3.422 -16.111 1.00 1.05 C ATOM 0 H VAL A 31 12.768 1.803 -13.720 1.00 0.80 H new ATOM 0 HA VAL A 31 12.799 2.843 -16.518 1.00 0.82 H new ATOM 0 HB VAL A 31 15.074 1.637 -14.920 1.00 0.92 H new ATOM 0 HG11 VAL A 31 16.189 1.036 -17.051 1.00 0.99 H new ATOM 0 HG12 VAL A 31 14.691 0.102 -16.829 1.00 0.99 H new ATOM 0 HG13 VAL A 31 14.719 1.486 -17.947 1.00 0.99 H new ATOM 0 HG21 VAL A 31 16.356 3.362 -16.158 1.00 1.05 H new ATOM 0 HG22 VAL A 31 14.886 3.812 -17.054 1.00 1.05 H new ATOM 0 HG23 VAL A 31 14.977 4.087 -15.298 1.00 1.05 H new ATOM 454 N PHE A 32 11.705 0.694 -17.116 1.00 0.74 N ATOM 455 CA PHE A 32 11.093 -0.603 -17.521 1.00 0.77 C ATOM 456 C PHE A 32 12.112 -1.411 -18.325 1.00 0.87 C ATOM 457 O PHE A 32 12.131 -1.381 -19.539 1.00 1.19 O ATOM 458 CB PHE A 32 9.845 -0.339 -18.369 1.00 0.78 C ATOM 459 CG PHE A 32 9.985 0.981 -19.089 1.00 0.93 C ATOM 460 CD1 PHE A 32 11.241 1.417 -19.532 1.00 1.63 C ATOM 461 CD2 PHE A 32 8.852 1.773 -19.311 1.00 1.50 C ATOM 462 CE1 PHE A 32 11.361 2.644 -20.196 1.00 1.82 C ATOM 463 CE2 PHE A 32 8.973 2.999 -19.976 1.00 1.78 C ATOM 464 CZ PHE A 32 10.228 3.435 -20.418 1.00 1.56 C ATOM 0 H PHE A 32 11.399 1.502 -17.658 1.00 0.74 H new ATOM 0 HA PHE A 32 10.805 -1.168 -16.634 1.00 0.77 H new ATOM 0 HB2 PHE A 32 9.707 -1.144 -19.091 1.00 0.78 H new ATOM 0 HB3 PHE A 32 8.959 -0.325 -17.734 1.00 0.78 H new ATOM 0 HD1 PHE A 32 12.116 0.807 -19.361 1.00 1.63 H new ATOM 0 HD2 PHE A 32 7.884 1.438 -18.969 1.00 1.50 H new ATOM 0 HE1 PHE A 32 12.329 2.980 -20.537 1.00 1.82 H new ATOM 0 HE2 PHE A 32 8.098 3.609 -20.148 1.00 1.78 H new ATOM 0 HZ PHE A 32 10.322 4.381 -20.930 1.00 1.56 H new ATOM 474 N ALA A 33 12.970 -2.126 -17.648 1.00 0.77 N ATOM 475 CA ALA A 33 14.003 -2.930 -18.361 1.00 0.84 C ATOM 476 C ALA A 33 13.385 -4.220 -18.909 1.00 0.67 C ATOM 477 O ALA A 33 12.485 -4.189 -19.724 1.00 0.92 O ATOM 478 CB ALA A 33 15.136 -3.270 -17.391 1.00 1.17 C ATOM 0 H ALA A 33 13.000 -2.188 -16.630 1.00 0.77 H new ATOM 0 HA ALA A 33 14.396 -2.349 -19.195 1.00 0.84 H new ATOM 0 HB1 ALA A 33 15.894 -3.858 -17.909 1.00 1.17 H new ATOM 0 HB2 ALA A 33 15.584 -2.349 -17.017 1.00 1.17 H new ATOM 0 HB3 ALA A 33 14.739 -3.845 -16.555 1.00 1.17 H new ATOM 484 N ASP A 34 13.872 -5.354 -18.479 1.00 0.77 N ATOM 485 CA ASP A 34 13.326 -6.646 -18.981 1.00 0.85 C ATOM 486 C ASP A 34 11.827 -6.735 -18.686 1.00 0.84 C ATOM 487 O ASP A 34 11.383 -7.580 -17.937 1.00 0.99 O ATOM 488 CB ASP A 34 14.048 -7.805 -18.291 1.00 1.13 C ATOM 489 CG ASP A 34 13.872 -9.082 -19.116 1.00 1.54 C ATOM 490 OD1 ASP A 34 12.936 -9.134 -19.898 1.00 1.78 O ATOM 491 OD2 ASP A 34 14.675 -9.984 -18.951 1.00 2.21 O ATOM 0 H ASP A 34 14.627 -5.440 -17.799 1.00 0.77 H new ATOM 0 HA ASP A 34 13.481 -6.703 -20.058 1.00 0.85 H new ATOM 0 HB2 ASP A 34 15.108 -7.573 -18.182 1.00 1.13 H new ATOM 0 HB3 ASP A 34 13.648 -7.950 -17.287 1.00 1.13 H new ATOM 496 N GLY A 35 11.043 -5.875 -19.276 1.00 0.84 N ATOM 497 CA GLY A 35 9.575 -5.919 -19.031 1.00 1.02 C ATOM 498 C GLY A 35 9.287 -5.611 -17.561 1.00 0.90 C ATOM 499 O GLY A 35 8.171 -5.736 -17.099 1.00 1.19 O ATOM 0 H GLY A 35 11.355 -5.145 -19.916 1.00 0.84 H new ATOM 0 HA2 GLY A 35 9.068 -5.196 -19.670 1.00 1.02 H new ATOM 0 HA3 GLY A 35 9.183 -6.903 -19.290 1.00 1.02 H new ATOM 503 N ARG A 36 10.283 -5.208 -16.819 1.00 0.66 N ATOM 504 CA ARG A 36 10.055 -4.891 -15.381 1.00 0.63 C ATOM 505 C ARG A 36 10.578 -3.487 -15.076 1.00 0.62 C ATOM 506 O ARG A 36 11.576 -3.054 -15.615 1.00 0.68 O ATOM 507 CB ARG A 36 10.789 -5.907 -14.505 1.00 0.70 C ATOM 508 CG ARG A 36 12.164 -6.209 -15.102 1.00 1.16 C ATOM 509 CD ARG A 36 13.014 -6.939 -14.062 1.00 1.40 C ATOM 510 NE ARG A 36 14.268 -6.171 -13.817 1.00 2.02 N ATOM 511 CZ ARG A 36 14.981 -5.721 -14.814 1.00 2.19 C ATOM 512 NH1 ARG A 36 14.643 -6.006 -16.042 1.00 2.28 N ATOM 513 NH2 ARG A 36 16.044 -5.001 -14.582 1.00 2.91 N ATOM 0 H ARG A 36 11.241 -5.085 -17.146 1.00 0.66 H new ATOM 0 HA ARG A 36 8.987 -4.936 -15.170 1.00 0.63 H new ATOM 0 HB2 ARG A 36 10.900 -5.516 -13.494 1.00 0.70 H new ATOM 0 HB3 ARG A 36 10.206 -6.825 -14.430 1.00 0.70 H new ATOM 0 HG2 ARG A 36 12.058 -6.821 -15.998 1.00 1.16 H new ATOM 0 HG3 ARG A 36 12.654 -5.283 -15.405 1.00 1.16 H new ATOM 0 HD2 ARG A 36 12.455 -7.049 -13.133 1.00 1.40 H new ATOM 0 HD3 ARG A 36 13.253 -7.943 -14.412 1.00 1.40 H new ATOM 0 HE ARG A 36 14.573 -5.995 -12.860 1.00 2.02 H new ATOM 0 HH11 ARG A 36 13.821 -6.581 -16.224 1.00 2.28 H new ATOM 0 HH12 ARG A 36 15.201 -5.654 -16.820 1.00 2.28 H new ATOM 0 HH21 ARG A 36 16.318 -4.790 -13.622 1.00 2.91 H new ATOM 0 HH22 ARG A 36 16.601 -4.649 -15.360 1.00 2.91 H new ATOM 527 N MET A 37 9.911 -2.775 -14.210 1.00 0.63 N ATOM 528 CA MET A 37 10.368 -1.402 -13.864 1.00 0.67 C ATOM 529 C MET A 37 10.906 -1.402 -12.434 1.00 0.68 C ATOM 530 O MET A 37 10.275 -1.900 -11.524 1.00 0.67 O ATOM 531 CB MET A 37 9.191 -0.427 -13.987 1.00 0.71 C ATOM 532 CG MET A 37 9.325 0.693 -12.953 1.00 0.75 C ATOM 533 SD MET A 37 8.636 0.136 -11.375 1.00 0.88 S ATOM 534 CE MET A 37 9.104 1.585 -10.399 1.00 0.93 C ATOM 0 H MET A 37 9.068 -3.086 -13.727 1.00 0.63 H new ATOM 0 HA MET A 37 11.158 -1.088 -14.546 1.00 0.67 H new ATOM 0 HB2 MET A 37 9.163 -0.004 -14.991 1.00 0.71 H new ATOM 0 HB3 MET A 37 8.251 -0.959 -13.839 1.00 0.71 H new ATOM 0 HG2 MET A 37 10.373 0.966 -12.829 1.00 0.75 H new ATOM 0 HG3 MET A 37 8.802 1.585 -13.297 1.00 0.75 H new ATOM 0 HE1 MET A 37 8.850 1.416 -9.353 1.00 0.93 H new ATOM 0 HE2 MET A 37 10.177 1.753 -10.489 1.00 0.93 H new ATOM 0 HE3 MET A 37 8.567 2.460 -10.766 1.00 0.93 H new ATOM 544 N CYS A 38 12.075 -0.861 -12.231 1.00 0.73 N ATOM 545 CA CYS A 38 12.648 -0.851 -10.857 1.00 0.78 C ATOM 546 C CYS A 38 13.071 0.564 -10.461 1.00 0.89 C ATOM 547 O CYS A 38 13.399 1.387 -11.294 1.00 0.88 O ATOM 548 CB CYS A 38 13.870 -1.771 -10.811 1.00 0.79 C ATOM 549 SG CYS A 38 13.835 -2.747 -9.286 1.00 1.06 S ATOM 0 H CYS A 38 12.654 -0.429 -12.951 1.00 0.73 H new ATOM 0 HA CYS A 38 11.888 -1.201 -10.159 1.00 0.78 H new ATOM 0 HB2 CYS A 38 13.874 -2.432 -11.678 1.00 0.79 H new ATOM 0 HB3 CYS A 38 14.785 -1.180 -10.856 1.00 0.79 H new ATOM 554 N VAL A 39 13.081 0.840 -9.184 1.00 1.04 N ATOM 555 CA VAL A 39 13.500 2.184 -8.701 1.00 1.18 C ATOM 556 C VAL A 39 14.669 2.004 -7.729 1.00 1.37 C ATOM 557 O VAL A 39 14.914 0.917 -7.242 1.00 1.26 O ATOM 558 CB VAL A 39 12.338 2.865 -7.976 1.00 1.18 C ATOM 559 CG1 VAL A 39 11.402 3.513 -8.997 1.00 1.26 C ATOM 560 CG2 VAL A 39 11.565 1.823 -7.163 1.00 1.26 C ATOM 0 H VAL A 39 12.814 0.184 -8.450 1.00 1.04 H new ATOM 0 HA VAL A 39 13.799 2.804 -9.546 1.00 1.18 H new ATOM 0 HB VAL A 39 12.729 3.633 -7.308 1.00 1.18 H new ATOM 0 HG11 VAL A 39 10.575 3.997 -8.477 1.00 1.26 H new ATOM 0 HG12 VAL A 39 11.952 4.256 -9.575 1.00 1.26 H new ATOM 0 HG13 VAL A 39 11.010 2.749 -9.668 1.00 1.26 H new ATOM 0 HG21 VAL A 39 10.736 2.307 -6.646 1.00 1.26 H new ATOM 0 HG22 VAL A 39 11.176 1.055 -7.832 1.00 1.26 H new ATOM 0 HG23 VAL A 39 12.231 1.365 -6.432 1.00 1.26 H new ATOM 570 N ASP A 40 15.395 3.049 -7.446 1.00 1.71 N ATOM 571 CA ASP A 40 16.550 2.914 -6.513 1.00 1.97 C ATOM 572 C ASP A 40 16.226 3.578 -5.171 1.00 1.61 C ATOM 573 O ASP A 40 16.284 4.784 -5.036 1.00 2.31 O ATOM 574 CB ASP A 40 17.780 3.585 -7.126 1.00 3.21 C ATOM 575 CG ASP A 40 17.983 3.071 -8.552 1.00 4.09 C ATOM 576 OD1 ASP A 40 17.987 1.863 -8.731 1.00 4.39 O ATOM 577 OD2 ASP A 40 18.132 3.892 -9.441 1.00 4.79 O ATOM 0 H ASP A 40 15.241 3.986 -7.818 1.00 1.71 H new ATOM 0 HA ASP A 40 16.750 1.855 -6.347 1.00 1.97 H new ATOM 0 HB2 ASP A 40 17.652 4.667 -7.133 1.00 3.21 H new ATOM 0 HB3 ASP A 40 18.662 3.373 -6.522 1.00 3.21 H new ATOM 582 N LEU A 41 15.903 2.799 -4.173 1.00 1.25 N ATOM 583 CA LEU A 41 15.596 3.385 -2.838 1.00 1.86 C ATOM 584 C LEU A 41 16.472 2.713 -1.778 1.00 1.67 C ATOM 585 O LEU A 41 15.992 2.291 -0.745 1.00 1.20 O ATOM 586 CB LEU A 41 14.121 3.155 -2.492 1.00 2.45 C ATOM 587 CG LEU A 41 13.244 4.178 -3.217 1.00 2.88 C ATOM 588 CD1 LEU A 41 13.665 5.595 -2.818 1.00 2.65 C ATOM 589 CD2 LEU A 41 13.399 4.006 -4.728 1.00 3.54 C ATOM 0 H LEU A 41 15.839 1.782 -4.226 1.00 1.25 H new ATOM 0 HA LEU A 41 15.797 4.456 -2.862 1.00 1.86 H new ATOM 0 HB2 LEU A 41 13.826 2.145 -2.777 1.00 2.45 H new ATOM 0 HB3 LEU A 41 13.975 3.238 -1.415 1.00 2.45 H new ATOM 0 HG LEU A 41 12.202 4.020 -2.938 1.00 2.88 H new ATOM 0 HD11 LEU A 41 13.038 6.320 -3.336 1.00 2.65 H new ATOM 0 HD12 LEU A 41 13.549 5.719 -1.741 1.00 2.65 H new ATOM 0 HD13 LEU A 41 14.708 5.755 -3.092 1.00 2.65 H new ATOM 0 HD21 LEU A 41 12.774 4.735 -5.243 1.00 3.54 H new ATOM 0 HD22 LEU A 41 14.441 4.160 -5.007 1.00 3.54 H new ATOM 0 HD23 LEU A 41 13.092 3.000 -5.013 1.00 3.54 H new ATOM 601 N PRO A 42 17.749 2.612 -2.037 1.00 2.30 N ATOM 602 CA PRO A 42 18.717 1.983 -1.098 1.00 2.32 C ATOM 603 C PRO A 42 18.419 2.329 0.363 1.00 1.85 C ATOM 604 O PRO A 42 17.968 1.499 1.128 1.00 2.18 O ATOM 605 CB PRO A 42 20.060 2.576 -1.525 1.00 3.11 C ATOM 606 CG PRO A 42 19.912 2.922 -2.972 1.00 3.74 C ATOM 607 CD PRO A 42 18.415 3.090 -3.258 1.00 3.24 C ATOM 0 HA PRO A 42 18.682 0.895 -1.144 1.00 2.32 H new ATOM 0 HB2 PRO A 42 20.302 3.460 -0.935 1.00 3.11 H new ATOM 0 HB3 PRO A 42 20.869 1.861 -1.375 1.00 3.11 H new ATOM 0 HG2 PRO A 42 20.451 3.841 -3.203 1.00 3.74 H new ATOM 0 HG3 PRO A 42 20.336 2.137 -3.599 1.00 3.74 H new ATOM 0 HD2 PRO A 42 18.165 4.131 -3.465 1.00 3.24 H new ATOM 0 HD3 PRO A 42 18.110 2.510 -4.129 1.00 3.24 H new ATOM 615 N GLY A 43 18.671 3.547 0.757 1.00 1.69 N ATOM 616 CA GLY A 43 18.404 3.942 2.169 1.00 1.65 C ATOM 617 C GLY A 43 19.057 5.297 2.454 1.00 1.62 C ATOM 618 O GLY A 43 20.102 5.375 3.068 1.00 2.03 O ATOM 0 H GLY A 43 19.050 4.285 0.163 1.00 1.69 H new ATOM 0 HA2 GLY A 43 17.330 4.000 2.344 1.00 1.65 H new ATOM 0 HA3 GLY A 43 18.797 3.187 2.849 1.00 1.65 H new ATOM 622 N GLY A 44 18.449 6.363 2.011 1.00 1.61 N ATOM 623 CA GLY A 44 19.036 7.710 2.258 1.00 2.13 C ATOM 624 C GLY A 44 17.973 8.783 2.011 1.00 2.06 C ATOM 625 O GLY A 44 18.279 9.900 1.641 1.00 2.41 O ATOM 0 H GLY A 44 17.572 6.360 1.489 1.00 1.61 H new ATOM 0 HA2 GLY A 44 19.404 7.776 3.282 1.00 2.13 H new ATOM 0 HA3 GLY A 44 19.891 7.872 1.601 1.00 2.13 H new ATOM 629 N GLN A 45 16.726 8.454 2.210 1.00 1.86 N ATOM 630 CA GLN A 45 15.646 9.454 1.986 1.00 1.96 C ATOM 631 C GLN A 45 15.211 10.045 3.328 1.00 1.90 C ATOM 632 O GLN A 45 15.175 9.366 4.334 1.00 1.92 O ATOM 633 CB GLN A 45 14.452 8.767 1.320 1.00 2.10 C ATOM 634 CG GLN A 45 14.600 8.844 -0.201 1.00 2.29 C ATOM 635 CD GLN A 45 14.005 10.160 -0.706 1.00 2.34 C ATOM 636 OE1 GLN A 45 13.732 11.054 0.071 1.00 2.96 O ATOM 637 NE2 GLN A 45 13.792 10.317 -1.983 1.00 2.07 N ATOM 0 H GLN A 45 16.409 7.535 2.518 1.00 1.86 H new ATOM 0 HA GLN A 45 16.015 10.252 1.342 1.00 1.96 H new ATOM 0 HB2 GLN A 45 14.394 7.726 1.638 1.00 2.10 H new ATOM 0 HB3 GLN A 45 13.524 9.247 1.630 1.00 2.10 H new ATOM 0 HG2 GLN A 45 15.652 8.778 -0.478 1.00 2.29 H new ATOM 0 HG3 GLN A 45 14.093 8.000 -0.669 1.00 2.29 H new ATOM 0 HE21 GLN A 45 14.021 9.566 -2.634 1.00 2.07 H new ATOM 0 HE22 GLN A 45 13.396 11.190 -2.330 1.00 2.07 H new ATOM 646 N GLY A 46 14.880 11.307 3.351 1.00 2.04 N ATOM 647 CA GLY A 46 14.448 11.941 4.629 1.00 2.08 C ATOM 648 C GLY A 46 13.015 11.518 4.951 1.00 2.01 C ATOM 649 O GLY A 46 12.763 10.825 5.917 1.00 2.08 O ATOM 0 H GLY A 46 14.890 11.926 2.541 1.00 2.04 H new ATOM 0 HA2 GLY A 46 15.116 11.645 5.438 1.00 2.08 H new ATOM 0 HA3 GLY A 46 14.508 13.026 4.547 1.00 2.08 H new ATOM 653 N ASN A 47 12.070 11.929 4.149 1.00 2.09 N ATOM 654 CA ASN A 47 10.654 11.552 4.409 1.00 2.14 C ATOM 655 C ASN A 47 10.262 10.381 3.504 1.00 1.80 C ATOM 656 O ASN A 47 10.856 10.163 2.466 1.00 1.63 O ATOM 657 CB ASN A 47 9.746 12.748 4.119 1.00 2.60 C ATOM 658 CG ASN A 47 10.373 13.614 3.025 1.00 2.84 C ATOM 659 OD1 ASN A 47 11.463 14.124 3.187 1.00 2.65 O ATOM 660 ND2 ASN A 47 9.726 13.801 1.908 1.00 3.61 N ATOM 0 H ASN A 47 12.219 12.510 3.324 1.00 2.09 H new ATOM 0 HA ASN A 47 10.543 11.257 5.452 1.00 2.14 H new ATOM 0 HB2 ASN A 47 8.762 12.402 3.804 1.00 2.60 H new ATOM 0 HB3 ASN A 47 9.602 13.337 5.025 1.00 2.60 H new ATOM 0 HD21 ASN A 47 10.136 14.375 1.171 1.00 3.61 H new ATOM 0 HD22 ASN A 47 8.810 13.373 1.771 1.00 3.61 H new ATOM 667 N PRO A 48 9.268 9.637 3.901 1.00 1.85 N ATOM 668 CA PRO A 48 8.776 8.464 3.124 1.00 1.74 C ATOM 669 C PRO A 48 8.014 8.880 1.864 1.00 1.36 C ATOM 670 O PRO A 48 8.058 8.211 0.851 1.00 1.19 O ATOM 671 CB PRO A 48 7.842 7.744 4.100 1.00 2.19 C ATOM 672 CG PRO A 48 7.385 8.792 5.060 1.00 2.36 C ATOM 673 CD PRO A 48 8.500 9.836 5.141 1.00 2.21 C ATOM 0 HA PRO A 48 9.598 7.842 2.770 1.00 1.74 H new ATOM 0 HB2 PRO A 48 6.997 7.296 3.577 1.00 2.19 H new ATOM 0 HB3 PRO A 48 8.361 6.937 4.617 1.00 2.19 H new ATOM 0 HG2 PRO A 48 6.454 9.247 4.721 1.00 2.36 H new ATOM 0 HG3 PRO A 48 7.190 8.359 6.041 1.00 2.36 H new ATOM 0 HD2 PRO A 48 8.096 10.847 5.202 1.00 2.21 H new ATOM 0 HD3 PRO A 48 9.122 9.687 6.024 1.00 2.21 H new ATOM 681 N TRP A 49 7.315 9.981 1.918 1.00 1.49 N ATOM 682 CA TRP A 49 6.551 10.438 0.722 1.00 1.39 C ATOM 683 C TRP A 49 7.522 10.991 -0.323 1.00 1.17 C ATOM 684 O TRP A 49 7.145 11.751 -1.192 1.00 1.45 O ATOM 685 CB TRP A 49 5.565 11.532 1.133 1.00 1.79 C ATOM 686 CG TRP A 49 6.316 12.696 1.696 1.00 1.85 C ATOM 687 CD1 TRP A 49 6.946 13.642 0.964 1.00 1.69 C ATOM 688 CD2 TRP A 49 6.525 13.054 3.093 1.00 2.46 C ATOM 689 NE1 TRP A 49 7.529 14.558 1.821 1.00 1.97 N ATOM 690 CE2 TRP A 49 7.298 14.238 3.144 1.00 2.36 C ATOM 691 CE3 TRP A 49 6.124 12.471 4.310 1.00 3.27 C ATOM 692 CZ2 TRP A 49 7.661 14.824 4.359 1.00 2.90 C ATOM 693 CZ3 TRP A 49 6.487 13.057 5.532 1.00 3.87 C ATOM 694 CH2 TRP A 49 7.253 14.231 5.558 1.00 3.62 C ATOM 0 H TRP A 49 7.240 10.583 2.738 1.00 1.49 H new ATOM 0 HA TRP A 49 6.003 9.597 0.298 1.00 1.39 H new ATOM 0 HB2 TRP A 49 4.976 11.848 0.272 1.00 1.79 H new ATOM 0 HB3 TRP A 49 4.865 11.145 1.873 1.00 1.79 H new ATOM 0 HD1 TRP A 49 6.987 13.677 -0.115 1.00 1.69 H new ATOM 0 HE1 TRP A 49 8.064 15.370 1.513 1.00 1.97 H new ATOM 0 HE3 TRP A 49 5.533 11.567 4.303 1.00 3.27 H new ATOM 0 HZ2 TRP A 49 8.252 15.728 4.372 1.00 2.90 H new ATOM 0 HZ3 TRP A 49 6.174 12.600 6.459 1.00 3.87 H new ATOM 0 HH2 TRP A 49 7.528 14.677 6.503 1.00 3.62 H new ATOM 705 N ASP A 50 8.769 10.614 -0.246 1.00 1.07 N ATOM 706 CA ASP A 50 9.762 11.118 -1.236 1.00 1.36 C ATOM 707 C ASP A 50 10.047 10.030 -2.273 1.00 1.21 C ATOM 708 O ASP A 50 11.106 9.986 -2.866 1.00 1.27 O ATOM 709 CB ASP A 50 11.060 11.488 -0.515 1.00 1.73 C ATOM 710 CG ASP A 50 11.005 12.954 -0.081 1.00 2.02 C ATOM 711 OD1 ASP A 50 9.997 13.590 -0.340 1.00 2.38 O ATOM 712 OD2 ASP A 50 11.971 13.415 0.503 1.00 2.14 O ATOM 0 H ASP A 50 9.143 9.979 0.459 1.00 1.07 H new ATOM 0 HA ASP A 50 9.360 12.000 -1.736 1.00 1.36 H new ATOM 0 HB2 ASP A 50 11.201 10.846 0.354 1.00 1.73 H new ATOM 0 HB3 ASP A 50 11.913 11.325 -1.174 1.00 1.73 H new ATOM 717 N ALA A 51 9.109 9.149 -2.495 1.00 1.09 N ATOM 718 CA ALA A 51 9.329 8.064 -3.493 1.00 1.02 C ATOM 719 C ALA A 51 8.215 7.023 -3.369 1.00 0.89 C ATOM 720 O ALA A 51 7.915 6.547 -2.292 1.00 0.87 O ATOM 721 CB ALA A 51 10.681 7.398 -3.234 1.00 1.11 C ATOM 0 H ALA A 51 8.202 9.134 -2.029 1.00 1.09 H new ATOM 0 HA ALA A 51 9.320 8.488 -4.497 1.00 1.02 H new ATOM 0 HB1 ALA A 51 10.842 6.605 -3.964 1.00 1.11 H new ATOM 0 HB2 ALA A 51 11.475 8.139 -3.323 1.00 1.11 H new ATOM 0 HB3 ALA A 51 10.692 6.975 -2.230 1.00 1.11 H new ATOM 727 N GLY A 52 7.597 6.666 -4.462 1.00 0.86 N ATOM 728 CA GLY A 52 6.504 5.656 -4.401 1.00 0.86 C ATOM 729 C GLY A 52 5.617 5.777 -5.641 1.00 0.87 C ATOM 730 O GLY A 52 5.654 6.765 -6.348 1.00 0.94 O ATOM 0 H GLY A 52 7.802 7.030 -5.393 1.00 0.86 H new ATOM 0 HA2 GLY A 52 6.926 4.653 -4.341 1.00 0.86 H new ATOM 0 HA3 GLY A 52 5.908 5.805 -3.500 1.00 0.86 H new ATOM 734 N LEU A 53 4.818 4.780 -5.909 1.00 0.83 N ATOM 735 CA LEU A 53 3.927 4.842 -7.100 1.00 0.84 C ATOM 736 C LEU A 53 2.575 5.427 -6.691 1.00 0.79 C ATOM 737 O LEU A 53 2.415 5.940 -5.600 1.00 0.78 O ATOM 738 CB LEU A 53 3.715 3.437 -7.669 1.00 0.85 C ATOM 739 CG LEU A 53 4.999 2.619 -7.534 1.00 0.90 C ATOM 740 CD1 LEU A 53 4.717 1.174 -7.946 1.00 0.90 C ATOM 741 CD2 LEU A 53 6.078 3.205 -8.446 1.00 0.96 C ATOM 0 H LEU A 53 4.745 3.927 -5.355 1.00 0.83 H new ATOM 0 HA LEU A 53 4.390 5.472 -7.860 1.00 0.84 H new ATOM 0 HB2 LEU A 53 2.901 2.941 -7.141 1.00 0.85 H new ATOM 0 HB3 LEU A 53 3.423 3.500 -8.717 1.00 0.85 H new ATOM 0 HG LEU A 53 5.345 2.648 -6.501 1.00 0.90 H new ATOM 0 HD11 LEU A 53 5.629 0.584 -7.852 1.00 0.90 H new ATOM 0 HD12 LEU A 53 3.946 0.755 -7.299 1.00 0.90 H new ATOM 0 HD13 LEU A 53 4.375 1.151 -8.981 1.00 0.90 H new ATOM 0 HD21 LEU A 53 6.993 2.621 -8.349 1.00 0.96 H new ATOM 0 HD22 LEU A 53 5.736 3.174 -9.481 1.00 0.96 H new ATOM 0 HD23 LEU A 53 6.275 4.238 -8.159 1.00 0.96 H new ATOM 753 N VAL A 54 1.602 5.358 -7.556 1.00 0.79 N ATOM 754 CA VAL A 54 0.265 5.913 -7.216 1.00 0.78 C ATOM 755 C VAL A 54 -0.736 5.590 -8.322 1.00 0.80 C ATOM 756 O VAL A 54 -0.375 5.198 -9.414 1.00 0.90 O ATOM 757 CB VAL A 54 0.387 7.425 -7.058 1.00 0.89 C ATOM 758 CG1 VAL A 54 1.263 7.988 -8.177 1.00 0.92 C ATOM 759 CG2 VAL A 54 -0.997 8.074 -7.116 1.00 0.92 C ATOM 0 H VAL A 54 1.676 4.941 -8.484 1.00 0.79 H new ATOM 0 HA VAL A 54 -0.089 5.468 -6.286 1.00 0.78 H new ATOM 0 HB VAL A 54 0.842 7.645 -6.092 1.00 0.89 H new ATOM 0 HG11 VAL A 54 1.349 9.069 -8.063 1.00 0.92 H new ATOM 0 HG12 VAL A 54 2.254 7.537 -8.125 1.00 0.92 H new ATOM 0 HG13 VAL A 54 0.811 7.760 -9.142 1.00 0.92 H new ATOM 0 HG21 VAL A 54 -0.898 9.153 -7.002 1.00 0.92 H new ATOM 0 HG22 VAL A 54 -1.463 7.852 -8.076 1.00 0.92 H new ATOM 0 HG23 VAL A 54 -1.618 7.680 -6.311 1.00 0.92 H new ATOM 769 N TYR A 55 -1.998 5.754 -8.040 1.00 0.78 N ATOM 770 CA TYR A 55 -3.042 5.462 -9.063 1.00 0.82 C ATOM 771 C TYR A 55 -4.427 5.573 -8.422 1.00 0.81 C ATOM 772 O TYR A 55 -4.635 5.170 -7.295 1.00 1.06 O ATOM 773 CB TYR A 55 -2.837 4.046 -9.606 1.00 0.83 C ATOM 774 CG TYR A 55 -4.100 3.573 -10.287 1.00 0.97 C ATOM 775 CD1 TYR A 55 -4.577 4.242 -11.421 1.00 1.59 C ATOM 776 CD2 TYR A 55 -4.792 2.463 -9.786 1.00 1.54 C ATOM 777 CE1 TYR A 55 -5.746 3.801 -12.054 1.00 1.70 C ATOM 778 CE2 TYR A 55 -5.961 2.023 -10.418 1.00 1.71 C ATOM 779 CZ TYR A 55 -6.437 2.691 -11.552 1.00 1.37 C ATOM 780 OH TYR A 55 -7.589 2.257 -12.175 1.00 1.61 O ATOM 0 H TYR A 55 -2.354 6.079 -7.141 1.00 0.78 H new ATOM 0 HA TYR A 55 -2.965 6.178 -9.881 1.00 0.82 H new ATOM 0 HB2 TYR A 55 -2.006 4.033 -10.311 1.00 0.83 H new ATOM 0 HB3 TYR A 55 -2.575 3.369 -8.793 1.00 0.83 H new ATOM 0 HD1 TYR A 55 -4.044 5.098 -11.807 1.00 1.59 H new ATOM 0 HD2 TYR A 55 -4.424 1.947 -8.912 1.00 1.54 H new ATOM 0 HE1 TYR A 55 -6.114 4.317 -12.929 1.00 1.70 H new ATOM 0 HE2 TYR A 55 -6.495 1.168 -10.031 1.00 1.71 H new ATOM 0 HH TYR A 55 -7.914 2.953 -12.784 1.00 1.61 H new ATOM 790 N ASN A 56 -5.377 6.121 -9.130 1.00 0.93 N ATOM 791 CA ASN A 56 -6.745 6.260 -8.563 1.00 1.01 C ATOM 792 C ASN A 56 -7.656 5.180 -9.149 1.00 1.28 C ATOM 793 O ASN A 56 -7.225 4.342 -9.915 1.00 2.04 O ATOM 794 CB ASN A 56 -7.300 7.642 -8.914 1.00 1.81 C ATOM 795 CG ASN A 56 -6.932 8.637 -7.812 1.00 2.22 C ATOM 796 OD1 ASN A 56 -7.695 9.530 -7.503 1.00 2.78 O ATOM 797 ND2 ASN A 56 -5.785 8.520 -7.200 1.00 2.47 N ATOM 0 H ASN A 56 -5.263 6.479 -10.078 1.00 0.93 H new ATOM 0 HA ASN A 56 -6.703 6.147 -7.480 1.00 1.01 H new ATOM 0 HB2 ASN A 56 -6.895 7.976 -9.869 1.00 1.81 H new ATOM 0 HB3 ASN A 56 -8.383 7.592 -9.026 1.00 1.81 H new ATOM 0 HD21 ASN A 56 -5.531 9.178 -6.463 1.00 2.47 H new ATOM 0 HD22 ASN A 56 -5.143 7.771 -7.458 1.00 2.47 H new ATOM 804 N GLY A 57 -8.912 5.193 -8.797 1.00 1.18 N ATOM 805 CA GLY A 57 -9.847 4.165 -9.337 1.00 1.77 C ATOM 806 C GLY A 57 -9.854 2.943 -8.417 1.00 1.64 C ATOM 807 O GLY A 57 -9.501 1.851 -8.817 1.00 2.48 O ATOM 0 H GLY A 57 -9.331 5.870 -8.160 1.00 1.18 H new ATOM 0 HA2 GLY A 57 -10.852 4.579 -9.416 1.00 1.77 H new ATOM 0 HA3 GLY A 57 -9.542 3.874 -10.342 1.00 1.77 H new ATOM 811 N VAL A 58 -10.256 3.116 -7.188 1.00 1.34 N ATOM 812 CA VAL A 58 -10.287 1.963 -6.243 1.00 1.99 C ATOM 813 C VAL A 58 -11.362 2.204 -5.182 1.00 1.78 C ATOM 814 O VAL A 58 -11.078 2.267 -4.002 1.00 1.95 O ATOM 815 CB VAL A 58 -8.923 1.820 -5.564 1.00 2.93 C ATOM 816 CG1 VAL A 58 -7.818 1.858 -6.622 1.00 3.79 C ATOM 817 CG2 VAL A 58 -8.722 2.971 -4.577 1.00 2.88 C ATOM 0 H VAL A 58 -10.565 4.006 -6.797 1.00 1.34 H new ATOM 0 HA VAL A 58 -10.515 1.050 -6.792 1.00 1.99 H new ATOM 0 HB VAL A 58 -8.882 0.871 -5.030 1.00 2.93 H new ATOM 0 HG11 VAL A 58 -6.847 1.756 -6.138 1.00 3.79 H new ATOM 0 HG12 VAL A 58 -7.960 1.038 -7.326 1.00 3.79 H new ATOM 0 HG13 VAL A 58 -7.859 2.807 -7.157 1.00 3.79 H new ATOM 0 HG21 VAL A 58 -7.751 2.870 -4.093 1.00 2.88 H new ATOM 0 HG22 VAL A 58 -8.764 3.920 -5.111 1.00 2.88 H new ATOM 0 HG23 VAL A 58 -9.508 2.945 -3.822 1.00 2.88 H new ATOM 827 N PRO A 59 -12.589 2.339 -5.605 1.00 1.85 N ATOM 828 CA PRO A 59 -13.739 2.579 -4.688 1.00 1.84 C ATOM 829 C PRO A 59 -13.731 1.627 -3.489 1.00 1.90 C ATOM 830 O PRO A 59 -13.314 0.491 -3.589 1.00 2.05 O ATOM 831 CB PRO A 59 -14.964 2.324 -5.567 1.00 2.07 C ATOM 832 CG PRO A 59 -14.511 2.586 -6.966 1.00 2.39 C ATOM 833 CD PRO A 59 -13.014 2.275 -7.013 1.00 2.40 C ATOM 0 HA PRO A 59 -13.713 3.581 -4.259 1.00 1.84 H new ATOM 0 HB2 PRO A 59 -15.321 1.300 -5.455 1.00 2.07 H new ATOM 0 HB3 PRO A 59 -15.789 2.981 -5.292 1.00 2.07 H new ATOM 0 HG2 PRO A 59 -15.058 1.961 -7.672 1.00 2.39 H new ATOM 0 HG3 PRO A 59 -14.699 3.623 -7.245 1.00 2.39 H new ATOM 0 HD2 PRO A 59 -12.825 1.291 -7.442 1.00 2.40 H new ATOM 0 HD3 PRO A 59 -12.476 2.999 -7.625 1.00 2.40 H new ATOM 841 N VAL A 60 -14.191 2.083 -2.356 1.00 2.10 N ATOM 842 CA VAL A 60 -14.210 1.204 -1.153 1.00 2.46 C ATOM 843 C VAL A 60 -15.625 1.165 -0.571 1.00 2.53 C ATOM 844 O VAL A 60 -15.995 1.990 0.239 1.00 2.50 O ATOM 845 CB VAL A 60 -13.242 1.755 -0.104 1.00 2.79 C ATOM 846 CG1 VAL A 60 -12.596 0.595 0.656 1.00 3.08 C ATOM 847 CG2 VAL A 60 -12.153 2.576 -0.799 1.00 2.93 C ATOM 0 H VAL A 60 -14.554 3.025 -2.212 1.00 2.10 H new ATOM 0 HA VAL A 60 -13.906 0.196 -1.435 1.00 2.46 H new ATOM 0 HB VAL A 60 -13.787 2.388 0.596 1.00 2.79 H new ATOM 0 HG11 VAL A 60 -11.907 0.988 1.403 1.00 3.08 H new ATOM 0 HG12 VAL A 60 -13.370 0.008 1.150 1.00 3.08 H new ATOM 0 HG13 VAL A 60 -12.050 -0.039 -0.043 1.00 3.08 H new ATOM 0 HG21 VAL A 60 -11.462 2.969 -0.053 1.00 2.93 H new ATOM 0 HG22 VAL A 60 -11.609 1.941 -1.498 1.00 2.93 H new ATOM 0 HG23 VAL A 60 -12.611 3.403 -1.341 1.00 2.93 H new ATOM 857 N GLY A 61 -16.416 0.210 -0.977 1.00 2.83 N ATOM 858 CA GLY A 61 -17.806 0.119 -0.447 1.00 3.05 C ATOM 859 C GLY A 61 -17.798 -0.642 0.881 1.00 2.72 C ATOM 860 O GLY A 61 -17.546 -1.829 0.925 1.00 2.61 O ATOM 0 H GLY A 61 -16.160 -0.511 -1.652 1.00 2.83 H new ATOM 0 HA2 GLY A 61 -18.218 1.118 -0.303 1.00 3.05 H new ATOM 0 HA3 GLY A 61 -18.448 -0.390 -1.166 1.00 3.05 H new ATOM 864 N GLU A 62 -18.071 0.034 1.963 1.00 3.03 N ATOM 865 CA GLU A 62 -18.078 -0.652 3.287 1.00 2.96 C ATOM 866 C GLU A 62 -19.022 -1.855 3.233 1.00 2.29 C ATOM 867 O GLU A 62 -20.190 -1.726 2.925 1.00 2.02 O ATOM 868 CB GLU A 62 -18.557 0.324 4.364 1.00 4.03 C ATOM 869 CG GLU A 62 -18.553 -0.375 5.725 1.00 4.32 C ATOM 870 CD GLU A 62 -19.993 -0.640 6.167 1.00 5.32 C ATOM 871 OE1 GLU A 62 -20.682 0.317 6.481 1.00 6.05 O ATOM 872 OE2 GLU A 62 -20.384 -1.796 6.184 1.00 5.54 O ATOM 0 H GLU A 62 -18.289 1.030 1.988 1.00 3.03 H new ATOM 0 HA GLU A 62 -17.070 -0.991 3.526 1.00 2.96 H new ATOM 0 HB2 GLU A 62 -17.908 1.199 4.391 1.00 4.03 H new ATOM 0 HB3 GLU A 62 -19.560 0.678 4.128 1.00 4.03 H new ATOM 0 HG2 GLU A 62 -18.002 -1.313 5.662 1.00 4.32 H new ATOM 0 HG3 GLU A 62 -18.043 0.245 6.463 1.00 4.32 H new ATOM 879 N GLY A 63 -18.527 -3.024 3.535 1.00 2.54 N ATOM 880 CA GLY A 63 -19.399 -4.233 3.503 1.00 2.46 C ATOM 881 C GLY A 63 -18.669 -5.376 2.794 1.00 2.21 C ATOM 882 O GLY A 63 -18.679 -6.504 3.244 1.00 2.29 O ATOM 0 H GLY A 63 -17.558 -3.195 3.802 1.00 2.54 H new ATOM 0 HA2 GLY A 63 -19.662 -4.531 4.518 1.00 2.46 H new ATOM 0 HA3 GLY A 63 -20.331 -4.007 2.985 1.00 2.46 H new ATOM 886 N GLU A 64 -18.036 -5.094 1.688 1.00 2.23 N ATOM 887 CA GLU A 64 -17.309 -6.165 0.952 1.00 2.27 C ATOM 888 C GLU A 64 -15.814 -6.083 1.269 1.00 2.19 C ATOM 889 O GLU A 64 -15.376 -5.235 2.021 1.00 2.81 O ATOM 890 CB GLU A 64 -17.523 -5.979 -0.552 1.00 2.70 C ATOM 891 CG GLU A 64 -18.762 -6.759 -0.993 1.00 3.18 C ATOM 892 CD GLU A 64 -19.538 -5.941 -2.028 1.00 3.59 C ATOM 893 OE1 GLU A 64 -18.961 -5.016 -2.577 1.00 3.92 O ATOM 894 OE2 GLU A 64 -20.695 -6.253 -2.254 1.00 4.03 O ATOM 0 H GLU A 64 -17.991 -4.168 1.263 1.00 2.23 H new ATOM 0 HA GLU A 64 -17.689 -7.140 1.258 1.00 2.27 H new ATOM 0 HB2 GLU A 64 -17.645 -4.921 -0.784 1.00 2.70 H new ATOM 0 HB3 GLU A 64 -16.647 -6.327 -1.100 1.00 2.70 H new ATOM 0 HG2 GLU A 64 -18.468 -7.719 -1.418 1.00 3.18 H new ATOM 0 HG3 GLU A 64 -19.396 -6.972 -0.132 1.00 3.18 H new ATOM 901 N SER A 65 -15.030 -6.957 0.700 1.00 1.71 N ATOM 902 CA SER A 65 -13.564 -6.930 0.968 1.00 1.83 C ATOM 903 C SER A 65 -12.806 -6.917 -0.360 1.00 1.49 C ATOM 904 O SER A 65 -13.157 -7.614 -1.292 1.00 1.87 O ATOM 905 CB SER A 65 -13.168 -8.170 1.769 1.00 2.37 C ATOM 906 OG SER A 65 -13.838 -8.152 3.023 1.00 2.91 O ATOM 0 H SER A 65 -15.341 -7.689 0.061 1.00 1.71 H new ATOM 0 HA SER A 65 -13.315 -6.036 1.539 1.00 1.83 H new ATOM 0 HB2 SER A 65 -13.429 -9.073 1.217 1.00 2.37 H new ATOM 0 HB3 SER A 65 -12.089 -8.190 1.920 1.00 2.37 H new ATOM 0 HG SER A 65 -13.717 -9.015 3.471 1.00 2.91 H new ATOM 912 N TYR A 66 -11.770 -6.129 -0.458 1.00 1.14 N ATOM 913 CA TYR A 66 -10.996 -6.069 -1.727 1.00 1.22 C ATOM 914 C TYR A 66 -9.710 -6.887 -1.584 1.00 1.63 C ATOM 915 O TYR A 66 -9.436 -7.457 -0.547 1.00 2.01 O ATOM 916 CB TYR A 66 -10.641 -4.613 -2.026 1.00 1.29 C ATOM 917 CG TYR A 66 -11.843 -3.908 -2.607 1.00 1.20 C ATOM 918 CD1 TYR A 66 -12.857 -3.442 -1.761 1.00 1.47 C ATOM 919 CD2 TYR A 66 -11.944 -3.719 -3.991 1.00 1.79 C ATOM 920 CE1 TYR A 66 -13.971 -2.787 -2.299 1.00 1.86 C ATOM 921 CE2 TYR A 66 -13.059 -3.065 -4.528 1.00 1.98 C ATOM 922 CZ TYR A 66 -14.073 -2.600 -3.682 1.00 1.87 C ATOM 923 OH TYR A 66 -15.171 -1.954 -4.212 1.00 2.38 O ATOM 0 H TYR A 66 -11.427 -5.524 0.288 1.00 1.14 H new ATOM 0 HA TYR A 66 -11.594 -6.479 -2.541 1.00 1.22 H new ATOM 0 HB2 TYR A 66 -10.319 -4.112 -1.113 1.00 1.29 H new ATOM 0 HB3 TYR A 66 -9.807 -4.568 -2.726 1.00 1.29 H new ATOM 0 HD1 TYR A 66 -12.780 -3.588 -0.694 1.00 1.47 H new ATOM 0 HD2 TYR A 66 -11.162 -4.078 -4.644 1.00 1.79 H new ATOM 0 HE1 TYR A 66 -14.752 -2.426 -1.646 1.00 1.86 H new ATOM 0 HE2 TYR A 66 -13.137 -2.919 -5.595 1.00 1.98 H new ATOM 0 HH TYR A 66 -15.025 -0.985 -4.186 1.00 2.38 H new ATOM 933 N VAL A 67 -8.920 -6.944 -2.621 1.00 1.69 N ATOM 934 CA VAL A 67 -7.648 -7.720 -2.554 1.00 2.07 C ATOM 935 C VAL A 67 -6.633 -7.109 -3.523 1.00 2.20 C ATOM 936 O VAL A 67 -6.979 -6.678 -4.605 1.00 2.22 O ATOM 937 CB VAL A 67 -7.915 -9.175 -2.945 1.00 2.37 C ATOM 938 CG1 VAL A 67 -6.718 -10.040 -2.545 1.00 2.61 C ATOM 939 CG2 VAL A 67 -9.167 -9.675 -2.222 1.00 2.54 C ATOM 0 H VAL A 67 -9.101 -6.486 -3.514 1.00 1.69 H new ATOM 0 HA VAL A 67 -7.252 -7.686 -1.539 1.00 2.07 H new ATOM 0 HB VAL A 67 -8.066 -9.239 -4.023 1.00 2.37 H new ATOM 0 HG11 VAL A 67 -6.909 -11.076 -2.824 1.00 2.61 H new ATOM 0 HG12 VAL A 67 -5.825 -9.685 -3.058 1.00 2.61 H new ATOM 0 HG13 VAL A 67 -6.567 -9.976 -1.467 1.00 2.61 H new ATOM 0 HG21 VAL A 67 -9.358 -10.712 -2.500 1.00 2.54 H new ATOM 0 HG22 VAL A 67 -9.015 -9.610 -1.145 1.00 2.54 H new ATOM 0 HG23 VAL A 67 -10.021 -9.060 -2.506 1.00 2.54 H new ATOM 949 N LEU A 68 -5.385 -7.061 -3.144 1.00 2.36 N ATOM 950 CA LEU A 68 -4.359 -6.469 -4.050 1.00 2.59 C ATOM 951 C LEU A 68 -3.194 -7.445 -4.228 1.00 2.17 C ATOM 952 O LEU A 68 -2.451 -7.710 -3.303 1.00 2.07 O ATOM 953 CB LEU A 68 -3.837 -5.166 -3.439 1.00 3.01 C ATOM 954 CG LEU A 68 -3.421 -4.204 -4.553 1.00 3.40 C ATOM 955 CD1 LEU A 68 -4.667 -3.624 -5.225 1.00 3.46 C ATOM 956 CD2 LEU A 68 -2.592 -3.064 -3.956 1.00 3.61 C ATOM 0 H LEU A 68 -5.032 -7.404 -2.251 1.00 2.36 H new ATOM 0 HA LEU A 68 -4.811 -6.269 -5.021 1.00 2.59 H new ATOM 0 HB2 LEU A 68 -4.609 -4.709 -2.820 1.00 3.01 H new ATOM 0 HB3 LEU A 68 -2.987 -5.373 -2.788 1.00 3.01 H new ATOM 0 HG LEU A 68 -2.828 -4.743 -5.292 1.00 3.40 H new ATOM 0 HD11 LEU A 68 -4.367 -2.939 -6.018 1.00 3.46 H new ATOM 0 HD12 LEU A 68 -5.261 -4.433 -5.650 1.00 3.46 H new ATOM 0 HD13 LEU A 68 -5.262 -3.086 -4.487 1.00 3.46 H new ATOM 0 HD21 LEU A 68 -2.294 -2.377 -4.748 1.00 3.61 H new ATOM 0 HD22 LEU A 68 -3.188 -2.529 -3.217 1.00 3.61 H new ATOM 0 HD23 LEU A 68 -1.702 -3.473 -3.477 1.00 3.61 H new ATOM 968 N SER A 69 -3.018 -7.967 -5.413 1.00 1.98 N ATOM 969 CA SER A 69 -1.891 -8.912 -5.658 1.00 1.66 C ATOM 970 C SER A 69 -0.847 -8.205 -6.522 1.00 1.53 C ATOM 971 O SER A 69 -0.930 -8.198 -7.735 1.00 1.60 O ATOM 972 CB SER A 69 -2.410 -10.155 -6.385 1.00 1.82 C ATOM 973 OG SER A 69 -1.843 -10.211 -7.687 1.00 2.27 O ATOM 0 H SER A 69 -3.608 -7.779 -6.223 1.00 1.98 H new ATOM 0 HA SER A 69 -1.446 -9.219 -4.712 1.00 1.66 H new ATOM 0 HB2 SER A 69 -2.150 -11.053 -5.824 1.00 1.82 H new ATOM 0 HB3 SER A 69 -3.498 -10.124 -6.451 1.00 1.82 H new ATOM 0 HG SER A 69 -2.173 -11.007 -8.154 1.00 2.27 H new ATOM 979 N PHE A 70 0.124 -7.585 -5.907 1.00 1.38 N ATOM 980 CA PHE A 70 1.152 -6.854 -6.700 1.00 1.30 C ATOM 981 C PHE A 70 2.368 -7.739 -6.972 1.00 1.23 C ATOM 982 O PHE A 70 2.739 -8.571 -6.168 1.00 1.40 O ATOM 983 CB PHE A 70 1.586 -5.589 -5.956 1.00 1.34 C ATOM 984 CG PHE A 70 2.172 -5.950 -4.613 1.00 1.31 C ATOM 985 CD1 PHE A 70 1.326 -6.268 -3.545 1.00 1.96 C ATOM 986 CD2 PHE A 70 3.560 -5.955 -4.433 1.00 1.23 C ATOM 987 CE1 PHE A 70 1.869 -6.593 -2.297 1.00 2.01 C ATOM 988 CE2 PHE A 70 4.103 -6.276 -3.184 1.00 1.35 C ATOM 989 CZ PHE A 70 3.258 -6.596 -2.115 1.00 1.48 C ATOM 0 H PHE A 70 0.249 -7.553 -4.895 1.00 1.38 H new ATOM 0 HA PHE A 70 0.709 -6.577 -7.657 1.00 1.30 H new ATOM 0 HB2 PHE A 70 2.322 -5.045 -6.548 1.00 1.34 H new ATOM 0 HB3 PHE A 70 0.731 -4.926 -5.822 1.00 1.34 H new ATOM 0 HD1 PHE A 70 0.255 -6.263 -3.684 1.00 1.96 H new ATOM 0 HD2 PHE A 70 4.212 -5.711 -5.259 1.00 1.23 H new ATOM 0 HE1 PHE A 70 1.217 -6.842 -1.473 1.00 2.01 H new ATOM 0 HE2 PHE A 70 5.174 -6.277 -3.045 1.00 1.35 H new ATOM 0 HZ PHE A 70 3.676 -6.845 -1.151 1.00 1.48 H new ATOM 999 N THR A 71 3.000 -7.538 -8.097 1.00 1.13 N ATOM 1000 CA THR A 71 4.213 -8.330 -8.445 1.00 1.16 C ATOM 1001 C THR A 71 5.447 -7.492 -8.104 1.00 1.11 C ATOM 1002 O THR A 71 5.768 -6.548 -8.798 1.00 1.39 O ATOM 1003 CB THR A 71 4.213 -8.620 -9.949 1.00 1.26 C ATOM 1004 OG1 THR A 71 3.631 -7.522 -10.637 1.00 1.15 O ATOM 1005 CG2 THR A 71 3.408 -9.887 -10.242 1.00 1.80 C ATOM 0 H THR A 71 2.723 -6.850 -8.797 1.00 1.13 H new ATOM 0 HA THR A 71 4.221 -9.269 -7.891 1.00 1.16 H new ATOM 0 HB THR A 71 5.240 -8.767 -10.285 1.00 1.26 H new ATOM 0 HG1 THR A 71 3.825 -6.692 -10.153 1.00 1.15 H new ATOM 0 HG21 THR A 71 3.415 -10.083 -11.314 1.00 1.80 H new ATOM 0 HG22 THR A 71 3.854 -10.731 -9.716 1.00 1.80 H new ATOM 0 HG23 THR A 71 2.380 -9.751 -9.905 1.00 1.80 H new ATOM 1013 N ALA A 72 6.139 -7.805 -7.042 1.00 0.96 N ATOM 1014 CA ALA A 72 7.333 -6.985 -6.693 1.00 0.87 C ATOM 1015 C ALA A 72 8.360 -7.819 -5.927 1.00 0.81 C ATOM 1016 O ALA A 72 8.045 -8.835 -5.338 1.00 0.85 O ATOM 1017 CB ALA A 72 6.897 -5.803 -5.825 1.00 0.81 C ATOM 0 H ALA A 72 5.934 -8.580 -6.411 1.00 0.96 H new ATOM 0 HA ALA A 72 7.791 -6.628 -7.615 1.00 0.87 H new ATOM 0 HB1 ALA A 72 7.768 -5.200 -5.567 1.00 0.81 H new ATOM 0 HB2 ALA A 72 6.182 -5.191 -6.376 1.00 0.81 H new ATOM 0 HB3 ALA A 72 6.430 -6.174 -4.913 1.00 0.81 H new ATOM 1023 N SER A 73 9.589 -7.380 -5.925 1.00 0.75 N ATOM 1024 CA SER A 73 10.658 -8.116 -5.196 1.00 0.72 C ATOM 1025 C SER A 73 11.549 -7.104 -4.474 1.00 0.64 C ATOM 1026 O SER A 73 12.080 -6.191 -5.077 1.00 0.84 O ATOM 1027 CB SER A 73 11.497 -8.920 -6.190 1.00 0.82 C ATOM 1028 OG SER A 73 11.508 -8.251 -7.444 1.00 0.93 O ATOM 0 H SER A 73 9.900 -6.534 -6.403 1.00 0.75 H new ATOM 0 HA SER A 73 10.211 -8.798 -4.473 1.00 0.72 H new ATOM 0 HB2 SER A 73 12.515 -9.033 -5.816 1.00 0.82 H new ATOM 0 HB3 SER A 73 11.085 -9.923 -6.303 1.00 0.82 H new ATOM 0 HG SER A 73 12.046 -8.763 -8.083 1.00 0.93 H new ATOM 1034 N ALA A 74 11.711 -7.247 -3.188 1.00 0.66 N ATOM 1035 CA ALA A 74 12.559 -6.282 -2.433 1.00 0.59 C ATOM 1036 C ALA A 74 14.021 -6.724 -2.489 1.00 0.61 C ATOM 1037 O ALA A 74 14.347 -7.859 -2.205 1.00 0.67 O ATOM 1038 CB ALA A 74 12.098 -6.232 -0.975 1.00 0.59 C ATOM 0 H ALA A 74 11.293 -7.990 -2.627 1.00 0.66 H new ATOM 0 HA ALA A 74 12.465 -5.293 -2.881 1.00 0.59 H new ATOM 0 HB1 ALA A 74 12.718 -5.526 -0.421 1.00 0.59 H new ATOM 0 HB2 ALA A 74 11.057 -5.911 -0.933 1.00 0.59 H new ATOM 0 HB3 ALA A 74 12.190 -7.223 -0.530 1.00 0.59 H new ATOM 1044 N THR A 75 14.905 -5.835 -2.850 1.00 0.62 N ATOM 1045 CA THR A 75 16.346 -6.196 -2.926 1.00 0.72 C ATOM 1046 C THR A 75 17.178 -5.117 -2.216 1.00 0.72 C ATOM 1047 O THR A 75 17.203 -3.982 -2.648 1.00 0.74 O ATOM 1048 CB THR A 75 16.757 -6.258 -4.397 1.00 0.85 C ATOM 1049 OG1 THR A 75 15.952 -5.359 -5.147 1.00 0.86 O ATOM 1050 CG2 THR A 75 16.565 -7.680 -4.926 1.00 0.97 C ATOM 0 H THR A 75 14.688 -4.869 -3.097 1.00 0.62 H new ATOM 0 HA THR A 75 16.515 -7.160 -2.447 1.00 0.72 H new ATOM 0 HB THR A 75 17.806 -5.978 -4.494 1.00 0.85 H new ATOM 0 HG1 THR A 75 16.214 -5.395 -6.091 1.00 0.86 H new ATOM 0 HG21 THR A 75 16.859 -7.721 -5.975 1.00 0.97 H new ATOM 0 HG22 THR A 75 17.182 -8.369 -4.349 1.00 0.97 H new ATOM 0 HG23 THR A 75 15.517 -7.965 -4.831 1.00 0.97 H new ATOM 1058 N PRO A 76 17.860 -5.447 -1.145 1.00 0.77 N ATOM 1059 CA PRO A 76 17.885 -6.819 -0.549 1.00 0.83 C ATOM 1060 C PRO A 76 16.521 -7.241 0.006 1.00 0.73 C ATOM 1061 O PRO A 76 15.487 -6.934 -0.550 1.00 0.68 O ATOM 1062 CB PRO A 76 18.902 -6.716 0.597 1.00 0.97 C ATOM 1063 CG PRO A 76 19.650 -5.443 0.374 1.00 1.02 C ATOM 1064 CD PRO A 76 18.702 -4.517 -0.381 1.00 0.85 C ATOM 0 HA PRO A 76 18.143 -7.567 -1.299 1.00 0.83 H new ATOM 0 HB2 PRO A 76 18.400 -6.708 1.564 1.00 0.97 H new ATOM 0 HB3 PRO A 76 19.578 -7.571 0.596 1.00 0.97 H new ATOM 0 HG2 PRO A 76 19.954 -4.999 1.322 1.00 1.02 H new ATOM 0 HG3 PRO A 76 20.559 -5.621 -0.200 1.00 1.02 H new ATOM 0 HD2 PRO A 76 18.110 -3.905 0.300 1.00 0.85 H new ATOM 0 HD3 PRO A 76 19.243 -3.834 -1.035 1.00 0.85 H new ATOM 1072 N ASP A 77 16.515 -7.937 1.106 1.00 0.81 N ATOM 1073 CA ASP A 77 15.223 -8.378 1.704 1.00 0.76 C ATOM 1074 C ASP A 77 14.787 -7.382 2.778 1.00 0.72 C ATOM 1075 O ASP A 77 15.604 -6.735 3.403 1.00 0.78 O ATOM 1076 CB ASP A 77 15.399 -9.762 2.332 1.00 0.91 C ATOM 1077 CG ASP A 77 16.474 -10.538 1.568 1.00 1.09 C ATOM 1078 OD1 ASP A 77 16.250 -10.832 0.405 1.00 1.30 O ATOM 1079 OD2 ASP A 77 17.502 -10.825 2.159 1.00 1.75 O ATOM 0 H ASP A 77 17.350 -8.221 1.619 1.00 0.81 H new ATOM 0 HA ASP A 77 14.461 -8.425 0.926 1.00 0.76 H new ATOM 0 HB2 ASP A 77 15.682 -9.664 3.380 1.00 0.91 H new ATOM 0 HB3 ASP A 77 14.455 -10.307 2.307 1.00 0.91 H new ATOM 1084 N MET A 78 13.506 -7.255 2.999 1.00 0.75 N ATOM 1085 CA MET A 78 13.012 -6.302 4.034 1.00 0.87 C ATOM 1086 C MET A 78 11.540 -5.981 3.768 1.00 0.89 C ATOM 1087 O MET A 78 11.031 -6.205 2.688 1.00 0.93 O ATOM 1088 CB MET A 78 13.832 -5.009 3.976 1.00 1.01 C ATOM 1089 CG MET A 78 14.844 -4.980 5.126 1.00 1.19 C ATOM 1090 SD MET A 78 16.332 -4.097 4.594 1.00 1.83 S ATOM 1091 CE MET A 78 15.872 -2.470 5.241 1.00 2.16 C ATOM 0 H MET A 78 12.778 -7.772 2.505 1.00 0.75 H new ATOM 0 HA MET A 78 13.116 -6.754 5.021 1.00 0.87 H new ATOM 0 HB2 MET A 78 14.352 -4.941 3.021 1.00 1.01 H new ATOM 0 HB3 MET A 78 13.170 -4.145 4.041 1.00 1.01 H new ATOM 0 HG2 MET A 78 14.408 -4.490 5.996 1.00 1.19 H new ATOM 0 HG3 MET A 78 15.099 -5.996 5.427 1.00 1.19 H new ATOM 0 HE1 MET A 78 16.724 -1.794 5.165 1.00 2.16 H new ATOM 0 HE2 MET A 78 15.039 -2.071 4.663 1.00 2.16 H new ATOM 0 HE3 MET A 78 15.576 -2.564 6.286 1.00 2.16 H new ATOM 1101 N PRO A 79 10.861 -5.459 4.755 1.00 0.96 N ATOM 1102 CA PRO A 79 9.419 -5.096 4.644 1.00 1.04 C ATOM 1103 C PRO A 79 9.199 -3.803 3.856 1.00 1.13 C ATOM 1104 O PRO A 79 9.923 -2.839 4.009 1.00 1.28 O ATOM 1105 CB PRO A 79 8.981 -4.917 6.098 1.00 1.12 C ATOM 1106 CG PRO A 79 10.219 -4.537 6.842 1.00 1.38 C ATOM 1107 CD PRO A 79 11.400 -5.157 6.091 1.00 1.11 C ATOM 0 HA PRO A 79 8.852 -5.855 4.105 1.00 1.04 H new ATOM 0 HB2 PRO A 79 8.217 -4.144 6.186 1.00 1.12 H new ATOM 0 HB3 PRO A 79 8.551 -5.837 6.495 1.00 1.12 H new ATOM 0 HG2 PRO A 79 10.321 -3.453 6.893 1.00 1.38 H new ATOM 0 HG3 PRO A 79 10.180 -4.902 7.868 1.00 1.38 H new ATOM 0 HD2 PRO A 79 12.242 -4.467 6.034 1.00 1.11 H new ATOM 0 HD3 PRO A 79 11.759 -6.058 6.588 1.00 1.11 H new ATOM 1115 N VAL A 80 8.200 -3.775 3.015 1.00 1.13 N ATOM 1116 CA VAL A 80 7.931 -2.544 2.220 1.00 1.31 C ATOM 1117 C VAL A 80 6.710 -1.823 2.801 1.00 1.45 C ATOM 1118 O VAL A 80 6.009 -2.352 3.641 1.00 1.98 O ATOM 1119 CB VAL A 80 7.669 -2.925 0.757 1.00 1.56 C ATOM 1120 CG1 VAL A 80 8.347 -4.262 0.447 1.00 2.01 C ATOM 1121 CG2 VAL A 80 6.163 -3.057 0.512 1.00 1.79 C ATOM 0 H VAL A 80 7.560 -4.551 2.845 1.00 1.13 H new ATOM 0 HA VAL A 80 8.795 -1.881 2.265 1.00 1.31 H new ATOM 0 HB VAL A 80 8.074 -2.147 0.110 1.00 1.56 H new ATOM 0 HG11 VAL A 80 8.161 -4.532 -0.592 1.00 2.01 H new ATOM 0 HG12 VAL A 80 9.421 -4.172 0.612 1.00 2.01 H new ATOM 0 HG13 VAL A 80 7.943 -5.035 1.101 1.00 2.01 H new ATOM 0 HG21 VAL A 80 5.986 -3.328 -0.529 1.00 1.79 H new ATOM 0 HG22 VAL A 80 5.755 -3.831 1.162 1.00 1.79 H new ATOM 0 HG23 VAL A 80 5.675 -2.107 0.728 1.00 1.79 H new ATOM 1131 N ARG A 81 6.453 -0.622 2.359 1.00 1.48 N ATOM 1132 CA ARG A 81 5.279 0.128 2.886 1.00 1.84 C ATOM 1133 C ARG A 81 4.212 0.237 1.794 1.00 2.04 C ATOM 1134 O ARG A 81 4.515 0.288 0.619 1.00 2.57 O ATOM 1135 CB ARG A 81 5.719 1.531 3.310 1.00 2.24 C ATOM 1136 CG ARG A 81 5.160 1.844 4.699 1.00 2.95 C ATOM 1137 CD ARG A 81 5.439 3.309 5.042 1.00 4.04 C ATOM 1138 NE ARG A 81 6.048 3.402 6.403 1.00 4.81 N ATOM 1139 CZ ARG A 81 5.582 2.689 7.394 1.00 5.14 C ATOM 1140 NH1 ARG A 81 4.527 1.939 7.227 1.00 4.94 N ATOM 1141 NH2 ARG A 81 6.162 2.743 8.562 1.00 6.01 N ATOM 0 H ARG A 81 7.005 -0.129 1.657 1.00 1.48 H new ATOM 0 HA ARG A 81 4.867 -0.399 3.746 1.00 1.84 H new ATOM 0 HB2 ARG A 81 6.807 1.594 3.322 1.00 2.24 H new ATOM 0 HB3 ARG A 81 5.365 2.268 2.589 1.00 2.24 H new ATOM 0 HG2 ARG A 81 4.087 1.652 4.723 1.00 2.95 H new ATOM 0 HG3 ARG A 81 5.618 1.192 5.443 1.00 2.95 H new ATOM 0 HD2 ARG A 81 6.111 3.744 4.302 1.00 4.04 H new ATOM 0 HD3 ARG A 81 4.513 3.883 5.008 1.00 4.04 H new ATOM 0 HE ARG A 81 6.837 4.029 6.561 1.00 4.81 H new ATOM 0 HH11 ARG A 81 4.062 1.907 6.320 1.00 4.94 H new ATOM 0 HH12 ARG A 81 4.167 1.384 8.004 1.00 4.94 H new ATOM 0 HH21 ARG A 81 6.977 3.341 8.700 1.00 6.01 H new ATOM 0 HH22 ARG A 81 5.800 2.187 9.337 1.00 6.01 H new ATOM 1155 N VAL A 82 2.963 0.274 2.174 1.00 2.00 N ATOM 1156 CA VAL A 82 1.877 0.379 1.161 1.00 2.41 C ATOM 1157 C VAL A 82 0.663 1.066 1.789 1.00 1.99 C ATOM 1158 O VAL A 82 0.409 0.938 2.971 1.00 1.85 O ATOM 1159 CB VAL A 82 1.484 -1.021 0.688 1.00 3.05 C ATOM 1160 CG1 VAL A 82 0.535 -0.914 -0.507 1.00 3.76 C ATOM 1161 CG2 VAL A 82 2.741 -1.786 0.269 1.00 3.57 C ATOM 0 H VAL A 82 2.649 0.236 3.144 1.00 2.00 H new ATOM 0 HA VAL A 82 2.227 0.964 0.310 1.00 2.41 H new ATOM 0 HB VAL A 82 0.985 -1.550 1.500 1.00 3.05 H new ATOM 0 HG11 VAL A 82 0.257 -1.913 -0.841 1.00 3.76 H new ATOM 0 HG12 VAL A 82 -0.361 -0.368 -0.212 1.00 3.76 H new ATOM 0 HG13 VAL A 82 1.032 -0.384 -1.320 1.00 3.76 H new ATOM 0 HG21 VAL A 82 2.464 -2.785 -0.069 1.00 3.57 H new ATOM 0 HG22 VAL A 82 3.238 -1.254 -0.542 1.00 3.57 H new ATOM 0 HG23 VAL A 82 3.419 -1.866 1.119 1.00 3.57 H new ATOM 1171 N LEU A 83 -0.090 1.793 1.010 1.00 2.02 N ATOM 1172 CA LEU A 83 -1.285 2.485 1.569 1.00 1.82 C ATOM 1173 C LEU A 83 -2.334 2.673 0.471 1.00 1.64 C ATOM 1174 O LEU A 83 -2.011 2.879 -0.682 1.00 1.78 O ATOM 1175 CB LEU A 83 -0.872 3.853 2.118 1.00 2.29 C ATOM 1176 CG LEU A 83 -0.492 4.775 0.959 1.00 1.71 C ATOM 1177 CD1 LEU A 83 -1.581 5.832 0.769 1.00 1.99 C ATOM 1178 CD2 LEU A 83 0.837 5.466 1.273 1.00 1.42 C ATOM 0 H LEU A 83 0.070 1.937 0.013 1.00 2.02 H new ATOM 0 HA LEU A 83 -1.708 1.881 2.372 1.00 1.82 H new ATOM 0 HB2 LEU A 83 -1.691 4.289 2.690 1.00 2.29 H new ATOM 0 HB3 LEU A 83 -0.029 3.743 2.801 1.00 2.29 H new ATOM 0 HG LEU A 83 -0.392 4.188 0.046 1.00 1.71 H new ATOM 0 HD11 LEU A 83 -1.310 6.489 -0.057 1.00 1.99 H new ATOM 0 HD12 LEU A 83 -2.529 5.342 0.547 1.00 1.99 H new ATOM 0 HD13 LEU A 83 -1.681 6.419 1.682 1.00 1.99 H new ATOM 0 HD21 LEU A 83 1.109 6.124 0.447 1.00 1.42 H new ATOM 0 HD22 LEU A 83 0.735 6.053 2.186 1.00 1.42 H new ATOM 0 HD23 LEU A 83 1.615 4.714 1.410 1.00 1.42 H new ATOM 1190 N VAL A 84 -3.590 2.607 0.820 1.00 1.54 N ATOM 1191 CA VAL A 84 -4.660 2.787 -0.205 1.00 1.53 C ATOM 1192 C VAL A 84 -5.930 3.312 0.465 1.00 1.46 C ATOM 1193 O VAL A 84 -6.199 3.030 1.616 1.00 1.51 O ATOM 1194 CB VAL A 84 -4.962 1.446 -0.878 1.00 1.58 C ATOM 1195 CG1 VAL A 84 -5.404 1.687 -2.322 1.00 1.89 C ATOM 1196 CG2 VAL A 84 -3.706 0.572 -0.871 1.00 1.84 C ATOM 0 H VAL A 84 -3.922 2.436 1.769 1.00 1.54 H new ATOM 0 HA VAL A 84 -4.320 3.502 -0.954 1.00 1.53 H new ATOM 0 HB VAL A 84 -5.758 0.941 -0.332 1.00 1.58 H new ATOM 0 HG11 VAL A 84 -5.619 0.732 -2.801 1.00 1.89 H new ATOM 0 HG12 VAL A 84 -6.301 2.307 -2.329 1.00 1.89 H new ATOM 0 HG13 VAL A 84 -4.608 2.195 -2.866 1.00 1.89 H new ATOM 0 HG21 VAL A 84 -3.924 -0.382 -1.351 1.00 1.84 H new ATOM 0 HG22 VAL A 84 -2.908 1.078 -1.415 1.00 1.84 H new ATOM 0 HG23 VAL A 84 -3.390 0.397 0.157 1.00 1.84 H new ATOM 1206 N GLY A 85 -6.716 4.072 -0.249 1.00 1.45 N ATOM 1207 CA GLY A 85 -7.971 4.613 0.345 1.00 1.49 C ATOM 1208 C GLY A 85 -8.451 5.810 -0.479 1.00 1.17 C ATOM 1209 O GLY A 85 -8.364 5.817 -1.690 1.00 1.15 O ATOM 0 H GLY A 85 -6.543 4.341 -1.217 1.00 1.45 H new ATOM 0 HA2 GLY A 85 -8.739 3.840 0.365 1.00 1.49 H new ATOM 0 HA3 GLY A 85 -7.796 4.915 1.378 1.00 1.49 H new ATOM 1213 N GLU A 86 -8.957 6.823 0.170 1.00 1.14 N ATOM 1214 CA GLU A 86 -9.441 8.019 -0.576 1.00 1.19 C ATOM 1215 C GLU A 86 -8.295 9.019 -0.734 1.00 1.21 C ATOM 1216 O GLU A 86 -7.135 8.668 -0.648 1.00 1.63 O ATOM 1217 CB GLU A 86 -10.588 8.673 0.198 1.00 1.44 C ATOM 1218 CG GLU A 86 -10.029 9.389 1.430 1.00 1.42 C ATOM 1219 CD GLU A 86 -9.071 8.455 2.171 1.00 1.91 C ATOM 1220 OE1 GLU A 86 -9.506 7.389 2.574 1.00 2.03 O ATOM 1221 OE2 GLU A 86 -7.918 8.824 2.325 1.00 2.54 O ATOM 0 H GLU A 86 -9.056 6.874 1.184 1.00 1.14 H new ATOM 0 HA GLU A 86 -9.795 7.715 -1.561 1.00 1.19 H new ATOM 0 HB2 GLU A 86 -11.114 9.383 -0.441 1.00 1.44 H new ATOM 0 HB3 GLU A 86 -11.314 7.918 0.501 1.00 1.44 H new ATOM 0 HG2 GLU A 86 -9.508 10.298 1.130 1.00 1.42 H new ATOM 0 HG3 GLU A 86 -10.843 9.690 2.089 1.00 1.42 H new ATOM 1228 N GLY A 87 -8.610 10.265 -0.965 1.00 1.18 N ATOM 1229 CA GLY A 87 -7.537 11.286 -1.128 1.00 1.38 C ATOM 1230 C GLY A 87 -8.148 12.686 -1.044 1.00 1.20 C ATOM 1231 O GLY A 87 -8.201 13.409 -2.019 1.00 1.26 O ATOM 0 H GLY A 87 -9.563 10.619 -1.048 1.00 1.18 H new ATOM 0 HA2 GLY A 87 -6.780 11.161 -0.353 1.00 1.38 H new ATOM 0 HA3 GLY A 87 -7.036 11.153 -2.087 1.00 1.38 H new ATOM 1280 N ARG A 92 -8.667 9.429 6.147 1.00 2.28 N ATOM 1281 CA ARG A 92 -8.867 8.131 6.850 1.00 2.12 C ATOM 1282 C ARG A 92 -8.904 6.995 5.826 1.00 1.84 C ATOM 1283 O ARG A 92 -9.801 6.910 5.011 1.00 2.05 O ATOM 1284 CB ARG A 92 -10.190 8.166 7.619 1.00 2.02 C ATOM 1285 CG ARG A 92 -10.011 8.974 8.908 1.00 2.72 C ATOM 1286 CD ARG A 92 -11.111 8.611 9.910 1.00 3.19 C ATOM 1287 NE ARG A 92 -10.504 8.121 11.187 1.00 4.00 N ATOM 1288 CZ ARG A 92 -9.541 7.237 11.185 1.00 4.78 C ATOM 1289 NH1 ARG A 92 -9.137 6.698 10.068 1.00 4.91 N ATOM 1290 NH2 ARG A 92 -8.994 6.872 12.313 1.00 5.74 N ATOM 0 HA ARG A 92 -8.045 7.966 7.546 1.00 2.12 H new ATOM 0 HB2 ARG A 92 -10.970 8.613 7.002 1.00 2.02 H new ATOM 0 HB3 ARG A 92 -10.513 7.152 7.855 1.00 2.02 H new ATOM 0 HG2 ARG A 92 -9.032 8.771 9.341 1.00 2.72 H new ATOM 0 HG3 ARG A 92 -10.047 10.041 8.686 1.00 2.72 H new ATOM 0 HD2 ARG A 92 -11.736 9.482 10.106 1.00 3.19 H new ATOM 0 HD3 ARG A 92 -11.759 7.842 9.488 1.00 3.19 H new ATOM 0 HE ARG A 92 -10.848 8.484 12.076 1.00 4.00 H new ATOM 0 HH11 ARG A 92 -9.573 6.965 9.186 1.00 4.91 H new ATOM 0 HH12 ARG A 92 -8.385 6.009 10.077 1.00 4.91 H new ATOM 0 HH21 ARG A 92 -9.318 7.276 13.191 1.00 5.74 H new ATOM 0 HH22 ARG A 92 -8.242 6.182 12.316 1.00 5.74 H new ATOM 1304 N THR A 93 -7.935 6.122 5.860 1.00 1.67 N ATOM 1305 CA THR A 93 -7.916 4.992 4.888 1.00 1.74 C ATOM 1306 C THR A 93 -7.995 3.663 5.635 1.00 1.95 C ATOM 1307 O THR A 93 -7.761 3.588 6.825 1.00 2.27 O ATOM 1308 CB THR A 93 -6.618 5.030 4.078 1.00 1.70 C ATOM 1309 OG1 THR A 93 -6.248 3.704 3.727 1.00 2.15 O ATOM 1310 CG2 THR A 93 -5.507 5.662 4.917 1.00 1.74 C ATOM 0 H THR A 93 -7.156 6.142 6.518 1.00 1.67 H new ATOM 0 HA THR A 93 -8.772 5.088 4.220 1.00 1.74 H new ATOM 0 HB THR A 93 -6.769 5.622 3.175 1.00 1.70 H new ATOM 0 HG1 THR A 93 -6.455 3.546 2.782 1.00 2.15 H new ATOM 0 HG21 THR A 93 -4.584 5.688 4.338 1.00 1.74 H new ATOM 0 HG22 THR A 93 -5.792 6.678 5.192 1.00 1.74 H new ATOM 0 HG23 THR A 93 -5.352 5.072 5.820 1.00 1.74 H new ATOM 1318 N ALA A 94 -8.312 2.608 4.937 1.00 2.15 N ATOM 1319 CA ALA A 94 -8.395 1.276 5.593 1.00 2.71 C ATOM 1320 C ALA A 94 -7.231 0.413 5.105 1.00 2.70 C ATOM 1321 O ALA A 94 -6.854 -0.555 5.737 1.00 3.18 O ATOM 1322 CB ALA A 94 -9.720 0.605 5.225 1.00 3.28 C ATOM 0 H ALA A 94 -8.517 2.612 3.938 1.00 2.15 H new ATOM 0 HA ALA A 94 -8.342 1.392 6.676 1.00 2.71 H new ATOM 0 HB1 ALA A 94 -9.780 -0.371 5.706 1.00 3.28 H new ATOM 0 HB2 ALA A 94 -10.549 1.227 5.562 1.00 3.28 H new ATOM 0 HB3 ALA A 94 -9.777 0.480 4.144 1.00 3.28 H new ATOM 1328 N PHE A 95 -6.656 0.759 3.985 1.00 2.24 N ATOM 1329 CA PHE A 95 -5.515 -0.038 3.457 1.00 2.32 C ATOM 1330 C PHE A 95 -4.206 0.542 3.995 1.00 1.89 C ATOM 1331 O PHE A 95 -3.205 0.578 3.309 1.00 2.04 O ATOM 1332 CB PHE A 95 -5.511 0.043 1.931 1.00 2.74 C ATOM 1333 CG PHE A 95 -4.953 -1.233 1.346 1.00 2.97 C ATOM 1334 CD1 PHE A 95 -3.933 -1.929 2.007 1.00 3.27 C ATOM 1335 CD2 PHE A 95 -5.457 -1.718 0.133 1.00 3.34 C ATOM 1336 CE1 PHE A 95 -3.418 -3.108 1.453 1.00 3.55 C ATOM 1337 CE2 PHE A 95 -4.943 -2.897 -0.419 1.00 3.65 C ATOM 1338 CZ PHE A 95 -3.923 -3.591 0.240 1.00 3.60 C ATOM 0 H PHE A 95 -6.928 1.559 3.414 1.00 2.24 H new ATOM 0 HA PHE A 95 -5.614 -1.077 3.771 1.00 2.32 H new ATOM 0 HB2 PHE A 95 -6.524 0.208 1.565 1.00 2.74 H new ATOM 0 HB3 PHE A 95 -4.912 0.894 1.606 1.00 2.74 H new ATOM 0 HD1 PHE A 95 -3.544 -1.557 2.943 1.00 3.27 H new ATOM 0 HD2 PHE A 95 -6.243 -1.182 -0.377 1.00 3.34 H new ATOM 0 HE1 PHE A 95 -2.631 -3.645 1.962 1.00 3.55 H new ATOM 0 HE2 PHE A 95 -5.334 -3.271 -1.354 1.00 3.65 H new ATOM 0 HZ PHE A 95 -3.525 -4.500 -0.187 1.00 3.60 H new ATOM 1348 N GLU A 96 -4.207 1.009 5.212 1.00 1.92 N ATOM 1349 CA GLU A 96 -2.961 1.593 5.779 1.00 2.11 C ATOM 1350 C GLU A 96 -2.056 0.470 6.292 1.00 1.99 C ATOM 1351 O GLU A 96 -1.671 0.448 7.443 1.00 2.04 O ATOM 1352 CB GLU A 96 -3.316 2.531 6.936 1.00 2.46 C ATOM 1353 CG GLU A 96 -2.143 3.473 7.207 1.00 3.05 C ATOM 1354 CD GLU A 96 -2.389 4.811 6.505 1.00 3.87 C ATOM 1355 OE1 GLU A 96 -2.296 4.845 5.289 1.00 4.60 O ATOM 1356 OE2 GLU A 96 -2.666 5.778 7.196 1.00 4.04 O ATOM 0 H GLU A 96 -5.014 1.012 5.836 1.00 1.92 H new ATOM 0 HA GLU A 96 -2.439 2.154 5.004 1.00 2.11 H new ATOM 0 HB2 GLU A 96 -4.209 3.106 6.691 1.00 2.46 H new ATOM 0 HB3 GLU A 96 -3.545 1.952 7.830 1.00 2.46 H new ATOM 0 HG2 GLU A 96 -2.028 3.629 8.280 1.00 3.05 H new ATOM 0 HG3 GLU A 96 -1.215 3.028 6.849 1.00 3.05 H new ATOM 1363 N GLN A 97 -1.715 -0.463 5.445 1.00 2.12 N ATOM 1364 CA GLN A 97 -0.837 -1.582 5.883 1.00 2.35 C ATOM 1365 C GLN A 97 0.556 -1.397 5.274 1.00 2.76 C ATOM 1366 O GLN A 97 0.709 -1.280 4.074 1.00 3.44 O ATOM 1367 CB GLN A 97 -1.449 -2.910 5.419 1.00 2.59 C ATOM 1368 CG GLN A 97 -0.352 -3.850 4.911 1.00 2.67 C ATOM 1369 CD GLN A 97 -0.908 -5.271 4.799 1.00 2.83 C ATOM 1370 OE1 GLN A 97 -2.042 -5.522 5.151 1.00 2.75 O ATOM 1371 NE2 GLN A 97 -0.149 -6.218 4.319 1.00 3.46 N ATOM 0 H GLN A 97 -2.007 -0.497 4.468 1.00 2.12 H new ATOM 0 HA GLN A 97 -0.750 -1.590 6.970 1.00 2.35 H new ATOM 0 HB2 GLN A 97 -1.986 -3.379 6.243 1.00 2.59 H new ATOM 0 HB3 GLN A 97 -2.176 -2.727 4.628 1.00 2.59 H new ATOM 0 HG2 GLN A 97 0.010 -3.512 3.940 1.00 2.67 H new ATOM 0 HG3 GLN A 97 0.499 -3.834 5.592 1.00 2.67 H new ATOM 0 HE21 GLN A 97 0.804 -6.007 4.023 1.00 3.46 H new ATOM 0 HE22 GLN A 97 -0.509 -7.169 4.240 1.00 3.46 H new ATOM 1380 N GLY A 98 1.572 -1.369 6.092 1.00 2.66 N ATOM 1381 CA GLY A 98 2.953 -1.192 5.558 1.00 3.12 C ATOM 1382 C GLY A 98 3.791 -2.428 5.887 1.00 2.94 C ATOM 1383 O GLY A 98 4.971 -2.483 5.604 1.00 3.67 O ATOM 0 H GLY A 98 1.506 -1.461 7.106 1.00 2.66 H new ATOM 0 HA2 GLY A 98 2.920 -1.039 4.479 1.00 3.12 H new ATOM 0 HA3 GLY A 98 3.411 -0.303 5.992 1.00 3.12 H new ATOM 1387 N SER A 99 3.191 -3.422 6.483 1.00 2.31 N ATOM 1388 CA SER A 99 3.954 -4.653 6.830 1.00 2.54 C ATOM 1389 C SER A 99 3.897 -5.635 5.659 1.00 2.05 C ATOM 1390 O SER A 99 3.223 -6.645 5.714 1.00 1.87 O ATOM 1391 CB SER A 99 3.337 -5.302 8.069 1.00 3.04 C ATOM 1392 OG SER A 99 3.961 -4.779 9.234 1.00 3.79 O ATOM 0 H SER A 99 2.205 -3.434 6.744 1.00 2.31 H new ATOM 0 HA SER A 99 4.992 -4.392 7.035 1.00 2.54 H new ATOM 0 HB2 SER A 99 2.265 -5.109 8.099 1.00 3.04 H new ATOM 0 HB3 SER A 99 3.465 -6.384 8.029 1.00 3.04 H new ATOM 0 HG SER A 99 3.566 -5.192 10.030 1.00 3.79 H new ATOM 1398 N ALA A 100 4.599 -5.348 4.596 1.00 1.96 N ATOM 1399 CA ALA A 100 4.584 -6.266 3.422 1.00 1.63 C ATOM 1400 C ALA A 100 5.988 -6.838 3.204 1.00 1.41 C ATOM 1401 O ALA A 100 6.811 -6.239 2.543 1.00 1.39 O ATOM 1402 CB ALA A 100 4.150 -5.487 2.178 1.00 1.76 C ATOM 0 H ALA A 100 5.182 -4.518 4.490 1.00 1.96 H new ATOM 0 HA ALA A 100 3.885 -7.082 3.604 1.00 1.63 H new ATOM 0 HB1 ALA A 100 4.138 -6.155 1.317 1.00 1.76 H new ATOM 0 HB2 ALA A 100 3.152 -5.078 2.335 1.00 1.76 H new ATOM 0 HB3 ALA A 100 4.851 -4.673 1.996 1.00 1.76 H new ATOM 1408 N PRO A 101 6.257 -7.991 3.758 1.00 1.67 N ATOM 1409 CA PRO A 101 7.582 -8.664 3.624 1.00 1.70 C ATOM 1410 C PRO A 101 7.876 -9.099 2.185 1.00 1.06 C ATOM 1411 O PRO A 101 7.189 -9.929 1.623 1.00 1.45 O ATOM 1412 CB PRO A 101 7.487 -9.894 4.534 1.00 2.69 C ATOM 1413 CG PRO A 101 6.248 -9.723 5.352 1.00 2.97 C ATOM 1414 CD PRO A 101 5.330 -8.778 4.582 1.00 2.35 C ATOM 0 HA PRO A 101 8.391 -7.986 3.897 1.00 1.70 H new ATOM 0 HB2 PRO A 101 7.439 -10.810 3.945 1.00 2.69 H new ATOM 0 HB3 PRO A 101 8.366 -9.972 5.174 1.00 2.69 H new ATOM 0 HG2 PRO A 101 5.760 -10.684 5.518 1.00 2.97 H new ATOM 0 HG3 PRO A 101 6.488 -9.313 6.333 1.00 2.97 H new ATOM 0 HD2 PRO A 101 4.614 -9.326 3.969 1.00 2.35 H new ATOM 0 HD3 PRO A 101 4.753 -8.143 5.254 1.00 2.35 H new ATOM 1422 N LEU A 102 8.900 -8.550 1.587 1.00 0.99 N ATOM 1423 CA LEU A 102 9.249 -8.937 0.189 1.00 1.10 C ATOM 1424 C LEU A 102 10.640 -9.575 0.172 1.00 0.93 C ATOM 1425 O LEU A 102 11.474 -9.293 1.011 1.00 1.33 O ATOM 1426 CB LEU A 102 9.249 -7.698 -0.710 1.00 2.00 C ATOM 1427 CG LEU A 102 7.863 -7.507 -1.336 1.00 2.39 C ATOM 1428 CD1 LEU A 102 7.653 -8.544 -2.440 1.00 3.06 C ATOM 1429 CD2 LEU A 102 6.787 -7.681 -0.265 1.00 2.31 C ATOM 0 H LEU A 102 9.511 -7.849 2.007 1.00 0.99 H new ATOM 0 HA LEU A 102 8.512 -9.649 -0.181 1.00 1.10 H new ATOM 0 HB2 LEU A 102 9.520 -6.816 -0.129 1.00 2.00 H new ATOM 0 HB3 LEU A 102 9.999 -7.806 -1.493 1.00 2.00 H new ATOM 0 HG LEU A 102 7.794 -6.505 -1.759 1.00 2.39 H new ATOM 0 HD11 LEU A 102 6.667 -8.408 -2.885 1.00 3.06 H new ATOM 0 HD12 LEU A 102 8.417 -8.419 -3.207 1.00 3.06 H new ATOM 0 HD13 LEU A 102 7.724 -9.546 -2.017 1.00 3.06 H new ATOM 0 HD21 LEU A 102 5.803 -7.545 -0.713 1.00 2.31 H new ATOM 0 HD22 LEU A 102 6.856 -8.682 0.161 1.00 2.31 H new ATOM 0 HD23 LEU A 102 6.933 -6.941 0.522 1.00 2.31 H new ATOM 1441 N THR A 103 10.898 -10.434 -0.777 1.00 1.21 N ATOM 1442 CA THR A 103 12.234 -11.092 -0.847 1.00 1.09 C ATOM 1443 C THR A 103 13.051 -10.478 -1.986 1.00 1.38 C ATOM 1444 O THR A 103 12.764 -9.394 -2.454 1.00 1.81 O ATOM 1445 CB THR A 103 12.051 -12.590 -1.101 1.00 1.79 C ATOM 1446 OG1 THR A 103 13.325 -13.214 -1.174 1.00 2.04 O ATOM 1447 CG2 THR A 103 11.302 -12.800 -2.418 1.00 2.34 C ATOM 0 H THR A 103 10.241 -10.709 -1.507 1.00 1.21 H new ATOM 0 HA THR A 103 12.760 -10.943 0.096 1.00 1.09 H new ATOM 0 HB THR A 103 11.476 -13.029 -0.286 1.00 1.79 H new ATOM 0 HG1 THR A 103 13.368 -13.777 -1.975 1.00 2.04 H new ATOM 0 HG21 THR A 103 11.173 -13.867 -2.597 1.00 2.34 H new ATOM 0 HG22 THR A 103 10.325 -12.321 -2.361 1.00 2.34 H new ATOM 0 HG23 THR A 103 11.874 -12.362 -3.236 1.00 2.34 H new ATOM 1455 N GLY A 104 14.068 -11.162 -2.434 1.00 1.62 N ATOM 1456 CA GLY A 104 14.907 -10.618 -3.539 1.00 2.17 C ATOM 1457 C GLY A 104 14.396 -11.142 -4.882 1.00 1.60 C ATOM 1458 O GLY A 104 14.634 -10.555 -5.919 1.00 1.83 O ATOM 0 H GLY A 104 14.354 -12.075 -2.082 1.00 1.62 H new ATOM 0 HA2 GLY A 104 14.877 -9.528 -3.528 1.00 2.17 H new ATOM 0 HA3 GLY A 104 15.947 -10.910 -3.396 1.00 2.17 H new ATOM 1462 N GLU A 105 13.694 -12.241 -4.875 1.00 1.22 N ATOM 1463 CA GLU A 105 13.171 -12.798 -6.154 1.00 1.09 C ATOM 1464 C GLU A 105 11.697 -12.416 -6.311 1.00 1.06 C ATOM 1465 O GLU A 105 10.983 -12.261 -5.340 1.00 1.08 O ATOM 1466 CB GLU A 105 13.303 -14.324 -6.138 1.00 1.40 C ATOM 1467 CG GLU A 105 14.745 -14.707 -5.801 1.00 1.95 C ATOM 1468 CD GLU A 105 14.955 -14.627 -4.288 1.00 2.43 C ATOM 1469 OE1 GLU A 105 14.108 -15.124 -3.565 1.00 3.02 O ATOM 1470 OE2 GLU A 105 15.961 -14.070 -3.879 1.00 2.75 O ATOM 0 H GLU A 105 13.460 -12.777 -4.040 1.00 1.22 H new ATOM 0 HA GLU A 105 13.743 -12.392 -6.988 1.00 1.09 H new ATOM 0 HB2 GLU A 105 12.621 -14.751 -5.403 1.00 1.40 H new ATOM 0 HB3 GLU A 105 13.024 -14.734 -7.108 1.00 1.40 H new ATOM 0 HG2 GLU A 105 14.957 -15.716 -6.155 1.00 1.95 H new ATOM 0 HG3 GLU A 105 15.439 -14.038 -6.311 1.00 1.95 H new ATOM 1477 N PRO A 106 11.249 -12.266 -7.527 1.00 1.08 N ATOM 1478 CA PRO A 106 9.839 -11.897 -7.826 1.00 1.12 C ATOM 1479 C PRO A 106 8.849 -12.621 -6.911 1.00 1.24 C ATOM 1480 O PRO A 106 8.773 -13.834 -6.897 1.00 1.42 O ATOM 1481 CB PRO A 106 9.657 -12.345 -9.275 1.00 1.26 C ATOM 1482 CG PRO A 106 11.017 -12.269 -9.889 1.00 1.20 C ATOM 1483 CD PRO A 106 12.038 -12.434 -8.758 1.00 1.13 C ATOM 0 HA PRO A 106 9.649 -10.835 -7.669 1.00 1.12 H new ATOM 0 HB2 PRO A 106 9.259 -13.359 -9.326 1.00 1.26 H new ATOM 0 HB3 PRO A 106 8.953 -11.700 -9.800 1.00 1.26 H new ATOM 0 HG2 PRO A 106 11.144 -13.050 -10.639 1.00 1.20 H new ATOM 0 HG3 PRO A 106 11.157 -11.314 -10.396 1.00 1.20 H new ATOM 0 HD2 PRO A 106 12.516 -13.413 -8.793 1.00 1.13 H new ATOM 0 HD3 PRO A 106 12.831 -11.689 -8.827 1.00 1.13 H new ATOM 1491 N ALA A 107 8.092 -11.888 -6.141 1.00 1.17 N ATOM 1492 CA ALA A 107 7.113 -12.538 -5.226 1.00 1.31 C ATOM 1493 C ALA A 107 5.848 -11.683 -5.132 1.00 1.24 C ATOM 1494 O ALA A 107 5.900 -10.506 -4.829 1.00 1.04 O ATOM 1495 CB ALA A 107 7.734 -12.682 -3.835 1.00 1.37 C ATOM 0 H ALA A 107 8.109 -10.869 -6.106 1.00 1.17 H new ATOM 0 HA ALA A 107 6.855 -13.523 -5.615 1.00 1.31 H new ATOM 0 HB1 ALA A 107 7.018 -13.158 -3.164 1.00 1.37 H new ATOM 0 HB2 ALA A 107 8.633 -13.295 -3.900 1.00 1.37 H new ATOM 0 HB3 ALA A 107 7.994 -11.696 -3.449 1.00 1.37 H new ATOM 1501 N THR A 108 4.710 -12.267 -5.391 1.00 1.45 N ATOM 1502 CA THR A 108 3.440 -11.493 -5.311 1.00 1.43 C ATOM 1503 C THR A 108 2.848 -11.601 -3.908 1.00 1.38 C ATOM 1504 O THR A 108 3.027 -12.588 -3.222 1.00 1.47 O ATOM 1505 CB THR A 108 2.431 -12.052 -6.314 1.00 1.60 C ATOM 1506 OG1 THR A 108 2.689 -13.433 -6.525 1.00 1.72 O ATOM 1507 CG2 THR A 108 2.559 -11.301 -7.637 1.00 1.66 C ATOM 0 H THR A 108 4.605 -13.247 -5.655 1.00 1.45 H new ATOM 0 HA THR A 108 3.653 -10.449 -5.539 1.00 1.43 H new ATOM 0 HB THR A 108 1.421 -11.927 -5.922 1.00 1.60 H new ATOM 0 HG1 THR A 108 2.041 -13.792 -7.167 1.00 1.72 H new ATOM 0 HG21 THR A 108 1.840 -11.699 -8.353 1.00 1.66 H new ATOM 0 HG22 THR A 108 2.361 -10.242 -7.475 1.00 1.66 H new ATOM 0 HG23 THR A 108 3.568 -11.425 -8.030 1.00 1.66 H new ATOM 1515 N ARG A 109 2.119 -10.606 -3.488 1.00 1.33 N ATOM 1516 CA ARG A 109 1.491 -10.675 -2.140 1.00 1.32 C ATOM 1517 C ARG A 109 0.047 -10.200 -2.255 1.00 1.37 C ATOM 1518 O ARG A 109 -0.248 -9.243 -2.945 1.00 1.49 O ATOM 1519 CB ARG A 109 2.245 -9.795 -1.147 1.00 1.27 C ATOM 1520 CG ARG A 109 3.526 -10.506 -0.709 1.00 1.97 C ATOM 1521 CD ARG A 109 3.163 -11.783 0.052 1.00 2.63 C ATOM 1522 NE ARG A 109 3.959 -11.870 1.312 1.00 3.48 N ATOM 1523 CZ ARG A 109 5.231 -11.569 1.322 1.00 3.74 C ATOM 1524 NH1 ARG A 109 5.843 -11.249 0.215 1.00 3.39 N ATOM 1525 NH2 ARG A 109 5.898 -11.607 2.442 1.00 4.70 N ATOM 0 H ARG A 109 1.932 -9.753 -4.016 1.00 1.33 H new ATOM 0 HA ARG A 109 1.525 -11.702 -1.777 1.00 1.32 H new ATOM 0 HB2 ARG A 109 2.487 -8.836 -1.605 1.00 1.27 H new ATOM 0 HB3 ARG A 109 1.618 -9.586 -0.281 1.00 1.27 H new ATOM 0 HG2 ARG A 109 4.136 -10.749 -1.579 1.00 1.97 H new ATOM 0 HG3 ARG A 109 4.122 -9.849 -0.076 1.00 1.97 H new ATOM 0 HD2 ARG A 109 2.098 -11.788 0.284 1.00 2.63 H new ATOM 0 HD3 ARG A 109 3.357 -12.656 -0.572 1.00 2.63 H new ATOM 0 HE ARG A 109 3.505 -12.168 2.175 1.00 3.48 H new ATOM 0 HH11 ARG A 109 5.329 -11.233 -0.666 1.00 3.39 H new ATOM 0 HH12 ARG A 109 6.836 -11.015 0.230 1.00 3.39 H new ATOM 0 HH21 ARG A 109 5.427 -11.871 3.307 1.00 4.70 H new ATOM 0 HH22 ARG A 109 6.891 -11.373 2.453 1.00 4.70 H new ATOM 1539 N GLU A 110 -0.853 -10.873 -1.595 1.00 1.37 N ATOM 1540 CA GLU A 110 -2.286 -10.481 -1.681 1.00 1.51 C ATOM 1541 C GLU A 110 -2.811 -10.065 -0.307 1.00 1.50 C ATOM 1542 O GLU A 110 -2.965 -10.877 0.583 1.00 1.45 O ATOM 1543 CB GLU A 110 -3.104 -11.668 -2.194 1.00 1.79 C ATOM 1544 CG GLU A 110 -2.273 -12.948 -2.082 1.00 2.12 C ATOM 1545 CD GLU A 110 -3.142 -14.154 -2.440 1.00 2.63 C ATOM 1546 OE1 GLU A 110 -4.283 -14.187 -2.008 1.00 2.69 O ATOM 1547 OE2 GLU A 110 -2.653 -15.025 -3.140 1.00 3.28 O ATOM 0 H GLU A 110 -0.658 -11.678 -1.000 1.00 1.37 H new ATOM 0 HA GLU A 110 -2.379 -9.637 -2.365 1.00 1.51 H new ATOM 0 HB2 GLU A 110 -4.023 -11.767 -1.616 1.00 1.79 H new ATOM 0 HB3 GLU A 110 -3.396 -11.501 -3.231 1.00 1.79 H new ATOM 0 HG2 GLU A 110 -1.413 -12.895 -2.750 1.00 2.12 H new ATOM 0 HG3 GLU A 110 -1.884 -13.054 -1.069 1.00 2.12 H new ATOM 1554 N TYR A 111 -3.111 -8.807 -0.136 1.00 1.66 N ATOM 1555 CA TYR A 111 -3.652 -8.342 1.169 1.00 1.81 C ATOM 1556 C TYR A 111 -5.124 -7.973 0.982 1.00 2.14 C ATOM 1557 O TYR A 111 -5.460 -7.085 0.223 1.00 2.42 O ATOM 1558 CB TYR A 111 -2.877 -7.116 1.659 1.00 1.87 C ATOM 1559 CG TYR A 111 -1.389 -7.343 1.518 1.00 1.94 C ATOM 1560 CD1 TYR A 111 -0.823 -8.574 1.874 1.00 2.76 C ATOM 1561 CD2 TYR A 111 -0.575 -6.311 1.036 1.00 1.82 C ATOM 1562 CE1 TYR A 111 0.558 -8.771 1.745 1.00 2.96 C ATOM 1563 CE2 TYR A 111 0.805 -6.509 0.907 1.00 2.00 C ATOM 1564 CZ TYR A 111 1.372 -7.740 1.262 1.00 2.36 C ATOM 1565 OH TYR A 111 2.731 -7.935 1.135 1.00 2.67 O ATOM 0 H TYR A 111 -3.004 -8.082 -0.845 1.00 1.66 H new ATOM 0 HA TYR A 111 -3.551 -9.136 1.909 1.00 1.81 H new ATOM 0 HB2 TYR A 111 -3.173 -6.237 1.086 1.00 1.87 H new ATOM 0 HB3 TYR A 111 -3.124 -6.915 2.701 1.00 1.87 H new ATOM 0 HD1 TYR A 111 -1.450 -9.370 2.247 1.00 2.76 H new ATOM 0 HD2 TYR A 111 -1.012 -5.362 0.764 1.00 1.82 H new ATOM 0 HE1 TYR A 111 0.995 -9.720 2.019 1.00 2.96 H new ATOM 0 HE2 TYR A 111 1.432 -5.713 0.534 1.00 2.00 H new ATOM 0 HH TYR A 111 2.995 -8.734 1.637 1.00 2.67 H new ATOM 1575 N ALA A 112 -6.007 -8.654 1.659 1.00 2.33 N ATOM 1576 CA ALA A 112 -7.455 -8.347 1.512 1.00 2.71 C ATOM 1577 C ALA A 112 -7.962 -7.641 2.771 1.00 2.50 C ATOM 1578 O ALA A 112 -7.589 -7.979 3.877 1.00 2.65 O ATOM 1579 CB ALA A 112 -8.235 -9.647 1.307 1.00 3.41 C ATOM 0 H ALA A 112 -5.787 -9.410 2.308 1.00 2.33 H new ATOM 0 HA ALA A 112 -7.600 -7.696 0.650 1.00 2.71 H new ATOM 0 HB1 ALA A 112 -9.296 -9.422 1.199 1.00 3.41 H new ATOM 0 HB2 ALA A 112 -7.877 -10.148 0.407 1.00 3.41 H new ATOM 0 HB3 ALA A 112 -8.088 -10.299 2.168 1.00 3.41 H new ATOM 1585 N PHE A 113 -8.812 -6.666 2.611 1.00 2.28 N ATOM 1586 CA PHE A 113 -9.346 -5.940 3.797 1.00 2.20 C ATOM 1587 C PHE A 113 -10.875 -5.951 3.755 1.00 1.67 C ATOM 1588 O PHE A 113 -11.476 -6.210 2.731 1.00 1.59 O ATOM 1589 CB PHE A 113 -8.844 -4.495 3.785 1.00 2.57 C ATOM 1590 CG PHE A 113 -8.626 -4.048 2.360 1.00 2.45 C ATOM 1591 CD1 PHE A 113 -7.629 -4.650 1.583 1.00 2.38 C ATOM 1592 CD2 PHE A 113 -9.420 -3.031 1.816 1.00 2.65 C ATOM 1593 CE1 PHE A 113 -7.427 -4.236 0.261 1.00 2.44 C ATOM 1594 CE2 PHE A 113 -9.218 -2.618 0.494 1.00 2.77 C ATOM 1595 CZ PHE A 113 -8.221 -3.219 -0.283 1.00 2.64 C ATOM 0 H PHE A 113 -9.160 -6.340 1.710 1.00 2.28 H new ATOM 0 HA PHE A 113 -9.003 -6.433 4.707 1.00 2.20 H new ATOM 0 HB2 PHE A 113 -9.568 -3.844 4.275 1.00 2.57 H new ATOM 0 HB3 PHE A 113 -7.914 -4.418 4.348 1.00 2.57 H new ATOM 0 HD1 PHE A 113 -7.016 -5.434 2.003 1.00 2.38 H new ATOM 0 HD2 PHE A 113 -10.188 -2.566 2.416 1.00 2.65 H new ATOM 0 HE1 PHE A 113 -6.659 -4.701 -0.339 1.00 2.44 H new ATOM 0 HE2 PHE A 113 -9.832 -1.835 0.073 1.00 2.77 H new ATOM 0 HZ PHE A 113 -8.064 -2.898 -1.302 1.00 2.64 H new ATOM 1605 N THR A 114 -11.507 -5.672 4.861 1.00 1.53 N ATOM 1606 CA THR A 114 -12.996 -5.669 4.888 1.00 1.47 C ATOM 1607 C THR A 114 -13.507 -4.232 4.764 1.00 1.85 C ATOM 1608 O THR A 114 -13.474 -3.467 5.709 1.00 2.23 O ATOM 1609 CB THR A 114 -13.478 -6.270 6.210 1.00 1.92 C ATOM 1610 OG1 THR A 114 -12.519 -6.010 7.223 1.00 2.12 O ATOM 1611 CG2 THR A 114 -13.660 -7.780 6.050 1.00 2.22 C ATOM 0 H THR A 114 -11.056 -5.446 5.748 1.00 1.53 H new ATOM 0 HA THR A 114 -13.378 -6.261 4.056 1.00 1.47 H new ATOM 0 HB THR A 114 -14.431 -5.820 6.488 1.00 1.92 H new ATOM 0 HG1 THR A 114 -12.827 -6.393 8.071 1.00 2.12 H new ATOM 0 HG21 THR A 114 -14.003 -8.207 6.992 1.00 2.22 H new ATOM 0 HG22 THR A 114 -14.398 -7.977 5.272 1.00 2.22 H new ATOM 0 HG23 THR A 114 -12.709 -8.234 5.771 1.00 2.22 H new ATOM 1619 N SER A 115 -13.983 -3.858 3.609 1.00 2.24 N ATOM 1620 CA SER A 115 -14.498 -2.473 3.429 1.00 2.93 C ATOM 1621 C SER A 115 -15.213 -2.028 4.706 1.00 3.67 C ATOM 1622 O SER A 115 -16.273 -2.520 5.039 1.00 4.11 O ATOM 1623 CB SER A 115 -15.480 -2.442 2.256 1.00 3.21 C ATOM 1624 OG SER A 115 -14.956 -3.218 1.187 1.00 4.06 O ATOM 0 H SER A 115 -14.037 -4.452 2.782 1.00 2.24 H new ATOM 0 HA SER A 115 -13.667 -1.799 3.223 1.00 2.93 H new ATOM 0 HB2 SER A 115 -16.448 -2.835 2.566 1.00 3.21 H new ATOM 0 HB3 SER A 115 -15.643 -1.415 1.930 1.00 3.21 H new ATOM 0 HG SER A 115 -14.853 -4.148 1.478 1.00 4.06 H new ATOM 1630 N ASN A 116 -14.642 -1.101 5.426 1.00 3.92 N ATOM 1631 CA ASN A 116 -15.290 -0.629 6.682 1.00 4.70 C ATOM 1632 C ASN A 116 -15.669 0.847 6.537 1.00 4.40 C ATOM 1633 O ASN A 116 -16.375 1.400 7.356 1.00 4.82 O ATOM 1634 CB ASN A 116 -14.316 -0.792 7.850 1.00 5.27 C ATOM 1635 CG ASN A 116 -12.963 -0.185 7.476 1.00 6.19 C ATOM 1636 OD1 ASN A 116 -12.501 -0.341 6.363 1.00 6.51 O ATOM 1637 ND2 ASN A 116 -12.304 0.507 8.364 1.00 6.86 N ATOM 0 H ASN A 116 -13.755 -0.651 5.199 1.00 3.92 H new ATOM 0 HA ASN A 116 -16.187 -1.218 6.871 1.00 4.70 H new ATOM 0 HB2 ASN A 116 -14.713 -0.302 8.739 1.00 5.27 H new ATOM 0 HB3 ASN A 116 -14.198 -1.848 8.094 1.00 5.27 H new ATOM 0 HD21 ASN A 116 -11.401 0.917 8.124 1.00 6.86 H new ATOM 0 HD22 ASN A 116 -12.691 0.638 9.298 1.00 6.86 H new ATOM 1644 N LEU A 117 -15.206 1.489 5.499 1.00 3.81 N ATOM 1645 CA LEU A 117 -15.541 2.928 5.304 1.00 3.59 C ATOM 1646 C LEU A 117 -16.051 3.144 3.877 1.00 3.13 C ATOM 1647 O LEU A 117 -15.423 2.748 2.916 1.00 3.28 O ATOM 1648 CB LEU A 117 -14.289 3.778 5.531 1.00 3.83 C ATOM 1649 CG LEU A 117 -14.363 4.437 6.910 1.00 4.66 C ATOM 1650 CD1 LEU A 117 -15.577 5.366 6.967 1.00 5.12 C ATOM 1651 CD2 LEU A 117 -14.498 3.356 7.984 1.00 4.76 C ATOM 0 H LEU A 117 -14.611 1.080 4.779 1.00 3.81 H new ATOM 0 HA LEU A 117 -16.314 3.221 6.015 1.00 3.59 H new ATOM 0 HB2 LEU A 117 -13.397 3.156 5.461 1.00 3.83 H new ATOM 0 HB3 LEU A 117 -14.208 4.540 4.756 1.00 3.83 H new ATOM 0 HG LEU A 117 -13.455 5.014 7.086 1.00 4.66 H new ATOM 0 HD11 LEU A 117 -15.630 5.836 7.949 1.00 5.12 H new ATOM 0 HD12 LEU A 117 -15.482 6.136 6.201 1.00 5.12 H new ATOM 0 HD13 LEU A 117 -16.485 4.789 6.791 1.00 5.12 H new ATOM 0 HD21 LEU A 117 -14.551 3.824 8.967 1.00 4.76 H new ATOM 0 HD22 LEU A 117 -15.406 2.779 7.808 1.00 4.76 H new ATOM 0 HD23 LEU A 117 -13.634 2.693 7.944 1.00 4.76 H new ATOM 1663 N THR A 118 -17.186 3.771 3.733 1.00 3.12 N ATOM 1664 CA THR A 118 -17.736 4.013 2.369 1.00 3.08 C ATOM 1665 C THR A 118 -16.952 5.141 1.696 1.00 3.13 C ATOM 1666 O THR A 118 -16.997 6.280 2.119 1.00 3.70 O ATOM 1667 CB THR A 118 -19.210 4.410 2.478 1.00 3.62 C ATOM 1668 OG1 THR A 118 -19.426 5.085 3.710 1.00 4.06 O ATOM 1669 CG2 THR A 118 -20.084 3.157 2.420 1.00 4.04 C ATOM 0 H THR A 118 -17.756 4.126 4.500 1.00 3.12 H new ATOM 0 HA THR A 118 -17.647 3.104 1.774 1.00 3.08 H new ATOM 0 HB THR A 118 -19.472 5.070 1.651 1.00 3.62 H new ATOM 0 HG1 THR A 118 -20.369 5.342 3.781 1.00 4.06 H new ATOM 0 HG21 THR A 118 -21.133 3.441 2.498 1.00 4.04 H new ATOM 0 HG22 THR A 118 -19.917 2.640 1.475 1.00 4.04 H new ATOM 0 HG23 THR A 118 -19.825 2.495 3.246 1.00 4.04 H new ATOM 1677 N PHE A 119 -16.233 4.835 0.651 1.00 2.76 N ATOM 1678 CA PHE A 119 -15.448 5.891 -0.048 1.00 3.07 C ATOM 1679 C PHE A 119 -15.823 5.908 -1.531 1.00 2.72 C ATOM 1680 O PHE A 119 -15.082 5.442 -2.373 1.00 2.65 O ATOM 1681 CB PHE A 119 -13.953 5.594 0.097 1.00 3.53 C ATOM 1682 CG PHE A 119 -13.452 6.165 1.402 1.00 4.12 C ATOM 1683 CD1 PHE A 119 -13.471 7.549 1.616 1.00 4.69 C ATOM 1684 CD2 PHE A 119 -12.966 5.310 2.399 1.00 4.47 C ATOM 1685 CE1 PHE A 119 -13.006 8.077 2.826 1.00 5.33 C ATOM 1686 CE2 PHE A 119 -12.501 5.838 3.609 1.00 5.10 C ATOM 1687 CZ PHE A 119 -12.521 7.221 3.823 1.00 5.44 C ATOM 0 H PHE A 119 -16.155 3.900 0.251 1.00 2.76 H new ATOM 0 HA PHE A 119 -15.671 6.862 0.394 1.00 3.07 H new ATOM 0 HB2 PHE A 119 -13.780 4.518 0.068 1.00 3.53 H new ATOM 0 HB3 PHE A 119 -13.402 6.028 -0.738 1.00 3.53 H new ATOM 0 HD1 PHE A 119 -13.845 8.209 0.847 1.00 4.69 H new ATOM 0 HD2 PHE A 119 -12.950 4.243 2.234 1.00 4.47 H new ATOM 0 HE1 PHE A 119 -13.021 9.144 2.991 1.00 5.33 H new ATOM 0 HE2 PHE A 119 -12.127 5.178 4.378 1.00 5.10 H new ATOM 0 HZ PHE A 119 -12.162 7.628 4.757 1.00 5.44 H new ATOM 1697 N PRO A 120 -16.971 6.446 -1.842 1.00 2.96 N ATOM 1698 CA PRO A 120 -17.467 6.533 -3.245 1.00 2.86 C ATOM 1699 C PRO A 120 -16.443 7.187 -4.178 1.00 3.02 C ATOM 1700 O PRO A 120 -15.476 7.773 -3.732 1.00 3.70 O ATOM 1701 CB PRO A 120 -18.725 7.401 -3.141 1.00 3.40 C ATOM 1702 CG PRO A 120 -19.172 7.295 -1.720 1.00 4.04 C ATOM 1703 CD PRO A 120 -17.921 7.028 -0.883 1.00 3.80 C ATOM 0 HA PRO A 120 -17.657 5.546 -3.667 1.00 2.86 H new ATOM 0 HB2 PRO A 120 -18.510 8.436 -3.408 1.00 3.40 H new ATOM 0 HB3 PRO A 120 -19.500 7.051 -3.823 1.00 3.40 H new ATOM 0 HG2 PRO A 120 -19.663 8.214 -1.399 1.00 4.04 H new ATOM 0 HG3 PRO A 120 -19.896 6.489 -1.601 1.00 4.04 H new ATOM 0 HD2 PRO A 120 -17.532 7.946 -0.442 1.00 3.80 H new ATOM 0 HD3 PRO A 120 -18.129 6.343 -0.061 1.00 3.80 H new ATOM 1711 N PRO A 121 -16.656 7.086 -5.462 1.00 2.87 N ATOM 1712 CA PRO A 121 -15.742 7.674 -6.479 1.00 3.45 C ATOM 1713 C PRO A 121 -15.988 9.172 -6.676 1.00 3.18 C ATOM 1714 O PRO A 121 -15.115 9.905 -7.096 1.00 3.79 O ATOM 1715 CB PRO A 121 -16.087 6.903 -7.752 1.00 3.90 C ATOM 1716 CG PRO A 121 -17.518 6.502 -7.595 1.00 3.47 C ATOM 1717 CD PRO A 121 -17.794 6.397 -6.090 1.00 2.74 C ATOM 0 HA PRO A 121 -14.695 7.591 -6.187 1.00 3.45 H new ATOM 0 HB2 PRO A 121 -15.947 7.523 -8.637 1.00 3.90 H new ATOM 0 HB3 PRO A 121 -15.445 6.030 -7.869 1.00 3.90 H new ATOM 0 HG2 PRO A 121 -18.177 7.237 -8.057 1.00 3.47 H new ATOM 0 HG3 PRO A 121 -17.707 5.549 -8.089 1.00 3.47 H new ATOM 0 HD2 PRO A 121 -18.740 6.869 -5.825 1.00 2.74 H new ATOM 0 HD3 PRO A 121 -17.856 5.357 -5.769 1.00 2.74 H new ATOM 1725 N ASP A 122 -17.172 9.630 -6.374 1.00 2.63 N ATOM 1726 CA ASP A 122 -17.476 11.079 -6.543 1.00 2.65 C ATOM 1727 C ASP A 122 -17.634 11.731 -5.169 1.00 2.94 C ATOM 1728 O ASP A 122 -17.858 11.065 -4.177 1.00 3.74 O ATOM 1729 CB ASP A 122 -18.775 11.238 -7.336 1.00 2.79 C ATOM 1730 CG ASP A 122 -18.505 10.972 -8.819 1.00 3.42 C ATOM 1731 OD1 ASP A 122 -17.380 10.633 -9.144 1.00 4.14 O ATOM 1732 OD2 ASP A 122 -19.430 11.113 -9.602 1.00 3.56 O ATOM 0 H ASP A 122 -17.942 9.064 -6.018 1.00 2.63 H new ATOM 0 HA ASP A 122 -16.660 11.561 -7.081 1.00 2.65 H new ATOM 0 HB2 ASP A 122 -19.528 10.544 -6.963 1.00 2.79 H new ATOM 0 HB3 ASP A 122 -19.174 12.244 -7.203 1.00 2.79 H new ATOM 1737 N GLY A 123 -17.520 13.029 -5.101 1.00 2.81 N ATOM 1738 CA GLY A 123 -17.666 13.722 -3.789 1.00 3.57 C ATOM 1739 C GLY A 123 -16.285 14.110 -3.259 1.00 3.16 C ATOM 1740 O GLY A 123 -15.439 14.585 -3.991 1.00 3.47 O ATOM 0 H GLY A 123 -17.332 13.640 -5.896 1.00 2.81 H new ATOM 0 HA2 GLY A 123 -18.286 14.611 -3.903 1.00 3.57 H new ATOM 0 HA3 GLY A 123 -18.171 13.070 -3.076 1.00 3.57 H new ATOM 1744 N ASP A 124 -16.049 13.913 -1.990 1.00 2.78 N ATOM 1745 CA ASP A 124 -14.723 14.273 -1.414 1.00 2.58 C ATOM 1746 C ASP A 124 -13.624 13.968 -2.433 1.00 2.15 C ATOM 1747 O ASP A 124 -13.142 14.844 -3.121 1.00 2.31 O ATOM 1748 CB ASP A 124 -14.481 13.454 -0.144 1.00 3.01 C ATOM 1749 CG ASP A 124 -15.597 13.735 0.865 1.00 3.26 C ATOM 1750 OD1 ASP A 124 -15.528 14.760 1.524 1.00 3.59 O ATOM 1751 OD2 ASP A 124 -16.500 12.921 0.961 1.00 3.51 O ATOM 0 H ASP A 124 -16.717 13.518 -1.328 1.00 2.78 H new ATOM 0 HA ASP A 124 -14.708 15.336 -1.171 1.00 2.58 H new ATOM 0 HB2 ASP A 124 -14.452 12.391 -0.384 1.00 3.01 H new ATOM 0 HB3 ASP A 124 -13.513 13.710 0.287 1.00 3.01 H new ATOM 1756 N ALA A 125 -13.225 12.729 -2.536 1.00 1.83 N ATOM 1757 CA ALA A 125 -12.157 12.369 -3.511 1.00 1.67 C ATOM 1758 C ALA A 125 -12.391 10.945 -4.019 1.00 1.39 C ATOM 1759 O ALA A 125 -12.938 10.111 -3.325 1.00 1.38 O ATOM 1760 CB ALA A 125 -10.791 12.448 -2.825 1.00 2.08 C ATOM 0 H ALA A 125 -13.592 11.951 -1.987 1.00 1.83 H new ATOM 0 HA ALA A 125 -12.182 13.064 -4.350 1.00 1.67 H new ATOM 0 HB1 ALA A 125 -10.010 12.185 -3.538 1.00 2.08 H new ATOM 0 HB2 ALA A 125 -10.624 13.462 -2.462 1.00 2.08 H new ATOM 0 HB3 ALA A 125 -10.765 11.753 -1.985 1.00 2.08 H new ATOM 1766 N PRO A 126 -11.977 10.674 -5.227 1.00 1.26 N ATOM 1767 CA PRO A 126 -12.137 9.331 -5.853 1.00 1.14 C ATOM 1768 C PRO A 126 -11.203 8.289 -5.233 1.00 1.05 C ATOM 1769 O PRO A 126 -10.739 8.441 -4.120 1.00 1.36 O ATOM 1770 CB PRO A 126 -11.777 9.565 -7.322 1.00 1.27 C ATOM 1771 CG PRO A 126 -10.896 10.770 -7.328 1.00 1.31 C ATOM 1772 CD PRO A 126 -11.309 11.625 -6.129 1.00 1.39 C ATOM 0 HA PRO A 126 -13.143 8.937 -5.711 1.00 1.14 H new ATOM 0 HB2 PRO A 126 -11.263 8.701 -7.743 1.00 1.27 H new ATOM 0 HB3 PRO A 126 -12.671 9.729 -7.924 1.00 1.27 H new ATOM 0 HG2 PRO A 126 -9.847 10.482 -7.255 1.00 1.31 H new ATOM 0 HG3 PRO A 126 -11.010 11.327 -8.258 1.00 1.31 H new ATOM 0 HD2 PRO A 126 -10.445 12.088 -5.652 1.00 1.39 H new ATOM 0 HD3 PRO A 126 -11.979 12.432 -6.426 1.00 1.39 H new ATOM 1780 N GLY A 127 -10.923 7.231 -5.943 1.00 1.02 N ATOM 1781 CA GLY A 127 -10.019 6.182 -5.394 1.00 1.03 C ATOM 1782 C GLY A 127 -8.637 6.783 -5.134 1.00 1.09 C ATOM 1783 O GLY A 127 -8.336 7.879 -5.564 1.00 1.19 O ATOM 0 H GLY A 127 -11.282 7.048 -6.880 1.00 1.02 H new ATOM 0 HA2 GLY A 127 -10.432 5.779 -4.469 1.00 1.03 H new ATOM 0 HA3 GLY A 127 -9.940 5.352 -6.096 1.00 1.03 H new ATOM 1787 N GLN A 128 -7.794 6.074 -4.434 1.00 1.12 N ATOM 1788 CA GLN A 128 -6.433 6.608 -4.148 1.00 1.26 C ATOM 1789 C GLN A 128 -5.474 5.448 -3.873 1.00 1.11 C ATOM 1790 O GLN A 128 -5.776 4.546 -3.117 1.00 1.11 O ATOM 1791 CB GLN A 128 -6.490 7.523 -2.923 1.00 1.53 C ATOM 1792 CG GLN A 128 -5.296 8.478 -2.940 1.00 1.64 C ATOM 1793 CD GLN A 128 -5.696 9.784 -3.630 1.00 1.87 C ATOM 1794 OE1 GLN A 128 -6.560 9.754 -4.607 1.00 2.01 O flip ATOM 1795 NE2 GLN A 128 -5.218 10.843 -3.276 1.00 1.99 N flip ATOM 0 H GLN A 128 -7.989 5.150 -4.049 1.00 1.12 H new ATOM 0 HA GLN A 128 -6.079 7.175 -5.009 1.00 1.26 H new ATOM 0 HB2 GLN A 128 -7.421 8.089 -2.923 1.00 1.53 H new ATOM 0 HB3 GLN A 128 -6.479 6.927 -2.010 1.00 1.53 H new ATOM 0 HG2 GLN A 128 -4.964 8.679 -1.922 1.00 1.64 H new ATOM 0 HG3 GLN A 128 -4.458 8.019 -3.464 1.00 1.64 H new ATOM 0 HE21 GLN A 128 -4.542 10.868 -2.512 1.00 1.99 H new ATOM 0 HE22 GLN A 128 -5.492 11.708 -3.742 1.00 1.99 H new ATOM 1804 N VAL A 129 -4.317 5.469 -4.476 1.00 1.03 N ATOM 1805 CA VAL A 129 -3.331 4.375 -4.248 1.00 0.91 C ATOM 1806 C VAL A 129 -1.936 4.989 -4.142 1.00 0.88 C ATOM 1807 O VAL A 129 -1.664 6.028 -4.711 1.00 1.00 O ATOM 1808 CB VAL A 129 -3.369 3.393 -5.419 1.00 0.94 C ATOM 1809 CG1 VAL A 129 -2.373 2.259 -5.167 1.00 1.28 C ATOM 1810 CG2 VAL A 129 -4.778 2.809 -5.552 1.00 0.89 C ATOM 0 H VAL A 129 -4.011 6.199 -5.119 1.00 1.03 H new ATOM 0 HA VAL A 129 -3.576 3.841 -3.330 1.00 0.91 H new ATOM 0 HB VAL A 129 -3.103 3.916 -6.338 1.00 0.94 H new ATOM 0 HG11 VAL A 129 -2.400 1.559 -6.002 1.00 1.28 H new ATOM 0 HG12 VAL A 129 -1.369 2.671 -5.072 1.00 1.28 H new ATOM 0 HG13 VAL A 129 -2.640 1.738 -4.248 1.00 1.28 H new ATOM 0 HG21 VAL A 129 -4.804 2.109 -6.387 1.00 0.89 H new ATOM 0 HG22 VAL A 129 -5.044 2.287 -4.633 1.00 0.89 H new ATOM 0 HG23 VAL A 129 -5.490 3.614 -5.731 1.00 0.89 H new ATOM 1820 N ALA A 130 -1.051 4.369 -3.414 1.00 0.78 N ATOM 1821 CA ALA A 130 0.315 4.945 -3.280 1.00 0.85 C ATOM 1822 C ALA A 130 1.264 3.916 -2.666 1.00 0.75 C ATOM 1823 O ALA A 130 1.146 3.553 -1.512 1.00 0.73 O ATOM 1824 CB ALA A 130 0.246 6.180 -2.382 1.00 0.98 C ATOM 0 H ALA A 130 -1.212 3.497 -2.910 1.00 0.78 H new ATOM 0 HA ALA A 130 0.690 5.221 -4.266 1.00 0.85 H new ATOM 0 HB1 ALA A 130 1.242 6.610 -2.277 1.00 0.98 H new ATOM 0 HB2 ALA A 130 -0.422 6.917 -2.828 1.00 0.98 H new ATOM 0 HB3 ALA A 130 -0.131 5.895 -1.400 1.00 0.98 H new ATOM 1830 N PHE A 131 2.214 3.450 -3.430 1.00 0.75 N ATOM 1831 CA PHE A 131 3.185 2.455 -2.897 1.00 0.70 C ATOM 1832 C PHE A 131 4.321 3.204 -2.198 1.00 0.77 C ATOM 1833 O PHE A 131 5.090 3.903 -2.826 1.00 0.99 O ATOM 1834 CB PHE A 131 3.755 1.631 -4.053 1.00 0.70 C ATOM 1835 CG PHE A 131 2.802 0.514 -4.411 1.00 0.84 C ATOM 1836 CD1 PHE A 131 1.437 0.629 -4.119 1.00 1.29 C ATOM 1837 CD2 PHE A 131 3.288 -0.639 -5.041 1.00 1.49 C ATOM 1838 CE1 PHE A 131 0.560 -0.409 -4.456 1.00 1.54 C ATOM 1839 CE2 PHE A 131 2.410 -1.676 -5.377 1.00 1.73 C ATOM 1840 CZ PHE A 131 1.046 -1.561 -5.085 1.00 1.48 C ATOM 0 H PHE A 131 2.359 3.717 -4.404 1.00 0.75 H new ATOM 0 HA PHE A 131 2.687 1.790 -2.191 1.00 0.70 H new ATOM 0 HB2 PHE A 131 3.920 2.271 -4.920 1.00 0.70 H new ATOM 0 HB3 PHE A 131 4.724 1.218 -3.773 1.00 0.70 H new ATOM 0 HD1 PHE A 131 1.061 1.518 -3.634 1.00 1.29 H new ATOM 0 HD2 PHE A 131 4.340 -0.728 -5.267 1.00 1.49 H new ATOM 0 HE1 PHE A 131 -0.492 -0.321 -4.230 1.00 1.54 H new ATOM 0 HE2 PHE A 131 2.785 -2.565 -5.862 1.00 1.73 H new ATOM 0 HZ PHE A 131 0.369 -2.361 -5.345 1.00 1.48 H new ATOM 1850 N HIS A 132 4.429 3.074 -0.904 1.00 0.82 N ATOM 1851 CA HIS A 132 5.512 3.792 -0.174 1.00 0.96 C ATOM 1852 C HIS A 132 6.674 2.837 0.109 1.00 1.03 C ATOM 1853 O HIS A 132 6.518 1.832 0.773 1.00 1.41 O ATOM 1854 CB HIS A 132 4.963 4.329 1.150 1.00 1.41 C ATOM 1855 CG HIS A 132 4.497 5.747 0.962 1.00 1.36 C ATOM 1856 ND1 HIS A 132 3.336 6.227 1.544 1.00 1.70 N ATOM 1857 CD2 HIS A 132 5.028 6.802 0.260 1.00 1.88 C ATOM 1858 CE1 HIS A 132 3.204 7.517 1.187 1.00 1.96 C ATOM 1859 NE2 HIS A 132 4.209 7.919 0.404 1.00 2.32 N ATOM 0 H HIS A 132 3.816 2.503 -0.322 1.00 0.82 H new ATOM 0 HA HIS A 132 5.869 4.619 -0.788 1.00 0.96 H new ATOM 0 HB2 HIS A 132 4.137 3.706 1.493 1.00 1.41 H new ATOM 0 HB3 HIS A 132 5.734 4.287 1.919 1.00 1.41 H new ATOM 0 HD2 HIS A 132 5.941 6.770 -0.316 1.00 1.88 H new ATOM 0 HE1 HIS A 132 2.386 8.150 1.496 1.00 1.96 H new ATOM 0 HE2 HIS A 132 4.347 8.845 -0.001 1.00 2.32 H new ATOM 1867 N LEU A 133 7.840 3.152 -0.384 1.00 1.00 N ATOM 1868 CA LEU A 133 9.018 2.272 -0.140 1.00 1.39 C ATOM 1869 C LEU A 133 10.251 3.140 0.124 1.00 1.62 C ATOM 1870 O LEU A 133 11.352 2.645 0.260 1.00 2.04 O ATOM 1871 CB LEU A 133 9.269 1.391 -1.367 1.00 1.58 C ATOM 1872 CG LEU A 133 8.065 1.461 -2.308 1.00 1.41 C ATOM 1873 CD1 LEU A 133 8.029 2.828 -2.992 1.00 1.52 C ATOM 1874 CD2 LEU A 133 8.186 0.365 -3.369 1.00 2.11 C ATOM 0 H LEU A 133 8.028 3.982 -0.946 1.00 1.00 H new ATOM 0 HA LEU A 133 8.823 1.637 0.724 1.00 1.39 H new ATOM 0 HB2 LEU A 133 10.168 1.722 -1.886 1.00 1.58 H new ATOM 0 HB3 LEU A 133 9.441 0.360 -1.057 1.00 1.58 H new ATOM 0 HG LEU A 133 7.148 1.317 -1.736 1.00 1.41 H new ATOM 0 HD11 LEU A 133 7.171 2.877 -3.662 1.00 1.52 H new ATOM 0 HD12 LEU A 133 7.945 3.610 -2.238 1.00 1.52 H new ATOM 0 HD13 LEU A 133 8.945 2.973 -3.564 1.00 1.52 H new ATOM 0 HD21 LEU A 133 7.329 0.413 -4.041 1.00 2.11 H new ATOM 0 HD22 LEU A 133 9.103 0.511 -3.940 1.00 2.11 H new ATOM 0 HD23 LEU A 133 8.212 -0.610 -2.883 1.00 2.11 H new ATOM 1886 N GLY A 134 10.074 4.431 0.198 1.00 1.46 N ATOM 1887 CA GLY A 134 11.234 5.330 0.455 1.00 1.77 C ATOM 1888 C GLY A 134 11.556 5.334 1.949 1.00 1.08 C ATOM 1889 O GLY A 134 10.722 5.654 2.773 1.00 0.83 O ATOM 0 H GLY A 134 9.176 4.902 0.091 1.00 1.46 H new ATOM 0 HA2 GLY A 134 12.101 4.994 -0.114 1.00 1.77 H new ATOM 0 HA3 GLY A 134 11.005 6.341 0.119 1.00 1.77 H new ATOM 1893 N LYS A 135 12.760 4.976 2.308 1.00 1.23 N ATOM 1894 CA LYS A 135 13.132 4.953 3.750 1.00 1.09 C ATOM 1895 C LYS A 135 14.653 4.898 3.888 1.00 1.32 C ATOM 1896 O LYS A 135 15.318 4.147 3.204 1.00 1.76 O ATOM 1897 CB LYS A 135 12.517 3.722 4.419 1.00 1.93 C ATOM 1898 CG LYS A 135 11.020 3.950 4.640 1.00 2.37 C ATOM 1899 CD LYS A 135 10.536 3.074 5.798 1.00 3.36 C ATOM 1900 CE LYS A 135 11.035 3.654 7.123 1.00 4.04 C ATOM 1901 NZ LYS A 135 9.871 4.122 7.929 1.00 5.06 N ATOM 0 H LYS A 135 13.501 4.699 1.664 1.00 1.23 H new ATOM 0 HA LYS A 135 12.756 5.856 4.232 1.00 1.09 H new ATOM 0 HB2 LYS A 135 12.673 2.841 3.796 1.00 1.93 H new ATOM 0 HB3 LYS A 135 13.010 3.529 5.372 1.00 1.93 H new ATOM 0 HG2 LYS A 135 10.830 5.000 4.860 1.00 2.37 H new ATOM 0 HG3 LYS A 135 10.467 3.710 3.732 1.00 2.37 H new ATOM 0 HD2 LYS A 135 9.447 3.023 5.799 1.00 3.36 H new ATOM 0 HD3 LYS A 135 10.903 2.055 5.674 1.00 3.36 H new ATOM 0 HE2 LYS A 135 11.594 2.899 7.676 1.00 4.04 H new ATOM 0 HE3 LYS A 135 11.718 4.482 6.936 1.00 4.04 H new ATOM 0 HZ1 LYS A 135 10.209 4.517 8.830 1.00 5.06 H new ATOM 0 HZ2 LYS A 135 9.356 4.855 7.401 1.00 5.06 H new ATOM 0 HZ3 LYS A 135 9.235 3.321 8.119 1.00 5.06 H new ATOM 1915 N ALA A 136 15.207 5.680 4.774 1.00 1.56 N ATOM 1916 CA ALA A 136 16.684 5.656 4.958 1.00 1.90 C ATOM 1917 C ALA A 136 17.145 4.199 4.971 1.00 2.22 C ATOM 1918 O ALA A 136 18.318 3.902 4.867 1.00 2.64 O ATOM 1919 CB ALA A 136 17.049 6.323 6.285 1.00 2.27 C ATOM 0 H ALA A 136 14.703 6.331 5.375 1.00 1.56 H new ATOM 0 HA ALA A 136 17.171 6.196 4.146 1.00 1.90 H new ATOM 0 HB1 ALA A 136 18.131 6.304 6.416 1.00 2.27 H new ATOM 0 HB2 ALA A 136 16.702 7.356 6.280 1.00 2.27 H new ATOM 0 HB3 ALA A 136 16.574 5.785 7.105 1.00 2.27 H new ATOM 1925 N GLY A 137 16.217 3.290 5.092 1.00 2.17 N ATOM 1926 CA GLY A 137 16.576 1.846 5.106 1.00 2.51 C ATOM 1927 C GLY A 137 15.847 1.138 3.963 1.00 1.81 C ATOM 1928 O GLY A 137 15.904 -0.069 3.834 1.00 2.11 O ATOM 0 H GLY A 137 15.220 3.488 5.182 1.00 2.17 H new ATOM 0 HA2 GLY A 137 17.654 1.725 4.996 1.00 2.51 H new ATOM 0 HA3 GLY A 137 16.301 1.399 6.061 1.00 2.51 H new ATOM 1932 N ALA A 138 15.158 1.880 3.137 1.00 1.23 N ATOM 1933 CA ALA A 138 14.422 1.252 2.002 1.00 1.37 C ATOM 1934 C ALA A 138 15.370 0.356 1.196 1.00 1.13 C ATOM 1935 O ALA A 138 16.373 -0.112 1.697 1.00 1.41 O ATOM 1936 CB ALA A 138 13.851 2.347 1.099 1.00 2.32 C ATOM 0 H ALA A 138 15.073 2.895 3.200 1.00 1.23 H new ATOM 0 HA ALA A 138 13.607 0.643 2.393 1.00 1.37 H new ATOM 0 HB1 ALA A 138 13.313 1.890 0.269 1.00 2.32 H new ATOM 0 HB2 ALA A 138 13.168 2.973 1.673 1.00 2.32 H new ATOM 0 HB3 ALA A 138 14.665 2.959 0.711 1.00 2.32 H new ATOM 1942 N TYR A 139 15.059 0.102 -0.047 1.00 0.82 N ATOM 1943 CA TYR A 139 15.937 -0.777 -0.870 1.00 0.75 C ATOM 1944 C TYR A 139 15.481 -0.727 -2.332 1.00 0.76 C ATOM 1945 O TYR A 139 14.778 0.176 -2.739 1.00 0.83 O ATOM 1946 CB TYR A 139 15.834 -2.209 -0.344 1.00 0.74 C ATOM 1947 CG TYR A 139 14.466 -2.420 0.257 1.00 0.79 C ATOM 1948 CD1 TYR A 139 13.407 -2.859 -0.546 1.00 1.42 C ATOM 1949 CD2 TYR A 139 14.256 -2.170 1.619 1.00 1.41 C ATOM 1950 CE1 TYR A 139 12.137 -3.048 0.013 1.00 1.61 C ATOM 1951 CE2 TYR A 139 12.987 -2.359 2.177 1.00 1.42 C ATOM 1952 CZ TYR A 139 11.928 -2.799 1.375 1.00 1.11 C ATOM 1953 OH TYR A 139 10.677 -2.983 1.926 1.00 1.32 O ATOM 0 H TYR A 139 14.236 0.465 -0.527 1.00 0.82 H new ATOM 0 HA TYR A 139 16.971 -0.437 -0.807 1.00 0.75 H new ATOM 0 HB2 TYR A 139 16.002 -2.919 -1.153 1.00 0.74 H new ATOM 0 HB3 TYR A 139 16.605 -2.390 0.405 1.00 0.74 H new ATOM 0 HD1 TYR A 139 13.569 -3.052 -1.596 1.00 1.42 H new ATOM 0 HD2 TYR A 139 15.073 -1.831 2.238 1.00 1.41 H new ATOM 0 HE1 TYR A 139 11.319 -3.386 -0.606 1.00 1.61 H new ATOM 0 HE2 TYR A 139 12.825 -2.165 3.227 1.00 1.42 H new ATOM 0 HH TYR A 139 10.657 -2.601 2.828 1.00 1.32 H new ATOM 1963 N GLU A 140 15.874 -1.685 -3.126 1.00 0.80 N ATOM 1964 CA GLU A 140 15.457 -1.681 -4.558 1.00 0.87 C ATOM 1965 C GLU A 140 14.031 -2.224 -4.676 1.00 0.77 C ATOM 1966 O GLU A 140 13.640 -3.130 -3.967 1.00 0.73 O ATOM 1967 CB GLU A 140 16.408 -2.563 -5.369 1.00 1.13 C ATOM 1968 CG GLU A 140 17.519 -1.701 -5.969 1.00 0.93 C ATOM 1969 CD GLU A 140 18.828 -2.494 -5.989 1.00 0.94 C ATOM 1970 OE1 GLU A 140 19.426 -2.640 -4.935 1.00 1.25 O ATOM 1971 OE2 GLU A 140 19.209 -2.943 -7.058 1.00 1.65 O ATOM 0 H GLU A 140 16.464 -2.469 -2.847 1.00 0.80 H new ATOM 0 HA GLU A 140 15.490 -0.662 -4.943 1.00 0.87 H new ATOM 0 HB2 GLU A 140 16.837 -3.335 -4.731 1.00 1.13 H new ATOM 0 HB3 GLU A 140 15.861 -3.073 -6.162 1.00 1.13 H new ATOM 0 HG2 GLU A 140 17.251 -1.396 -6.981 1.00 0.93 H new ATOM 0 HG3 GLU A 140 17.643 -0.790 -5.384 1.00 0.93 H new ATOM 1978 N PHE A 141 13.250 -1.678 -5.569 1.00 0.77 N ATOM 1979 CA PHE A 141 11.850 -2.164 -5.736 1.00 0.75 C ATOM 1980 C PHE A 141 11.612 -2.521 -7.205 1.00 0.72 C ATOM 1981 O PHE A 141 11.568 -1.658 -8.059 1.00 0.73 O ATOM 1982 CB PHE A 141 10.878 -1.060 -5.311 1.00 0.79 C ATOM 1983 CG PHE A 141 9.482 -1.622 -5.200 1.00 0.81 C ATOM 1984 CD1 PHE A 141 9.216 -2.672 -4.313 1.00 1.64 C ATOM 1985 CD2 PHE A 141 8.450 -1.090 -5.984 1.00 1.17 C ATOM 1986 CE1 PHE A 141 7.919 -3.190 -4.209 1.00 1.68 C ATOM 1987 CE2 PHE A 141 7.154 -1.607 -5.880 1.00 1.26 C ATOM 1988 CZ PHE A 141 6.889 -2.657 -4.993 1.00 1.00 C ATOM 0 H PHE A 141 13.521 -0.916 -6.190 1.00 0.77 H new ATOM 0 HA PHE A 141 11.689 -3.047 -5.117 1.00 0.75 H new ATOM 0 HB2 PHE A 141 11.187 -0.639 -4.354 1.00 0.79 H new ATOM 0 HB3 PHE A 141 10.896 -0.248 -6.037 1.00 0.79 H new ATOM 0 HD1 PHE A 141 10.011 -3.083 -3.709 1.00 1.64 H new ATOM 0 HD2 PHE A 141 8.655 -0.280 -6.669 1.00 1.17 H new ATOM 0 HE1 PHE A 141 7.714 -4.000 -3.525 1.00 1.68 H new ATOM 0 HE2 PHE A 141 6.358 -1.196 -6.484 1.00 1.26 H new ATOM 0 HZ PHE A 141 5.889 -3.056 -4.913 1.00 1.00 H new ATOM 1998 N CYS A 142 11.470 -3.783 -7.510 1.00 0.70 N ATOM 1999 CA CYS A 142 11.253 -4.188 -8.929 1.00 0.68 C ATOM 2000 C CYS A 142 9.815 -4.673 -9.136 1.00 0.68 C ATOM 2001 O CYS A 142 9.459 -5.772 -8.760 1.00 0.74 O ATOM 2002 CB CYS A 142 12.215 -5.325 -9.278 1.00 0.68 C ATOM 2003 SG CYS A 142 13.767 -4.658 -9.936 1.00 0.72 S ATOM 0 H CYS A 142 11.495 -4.550 -6.839 1.00 0.70 H new ATOM 0 HA CYS A 142 11.433 -3.326 -9.572 1.00 0.68 H new ATOM 0 HB2 CYS A 142 12.417 -5.925 -8.391 1.00 0.68 H new ATOM 0 HB3 CYS A 142 11.755 -5.987 -10.012 1.00 0.68 H new ATOM 2008 N ILE A 143 8.992 -3.868 -9.754 1.00 0.83 N ATOM 2009 CA ILE A 143 7.586 -4.282 -10.013 1.00 0.89 C ATOM 2010 C ILE A 143 7.340 -4.267 -11.519 1.00 0.92 C ATOM 2011 O ILE A 143 7.833 -3.421 -12.238 1.00 0.91 O ATOM 2012 CB ILE A 143 6.623 -3.325 -9.307 1.00 0.95 C ATOM 2013 CG1 ILE A 143 5.434 -2.994 -10.217 1.00 1.11 C ATOM 2014 CG2 ILE A 143 7.358 -2.036 -8.941 1.00 0.92 C ATOM 2015 CD1 ILE A 143 4.314 -2.363 -9.388 1.00 1.22 C ATOM 0 H ILE A 143 9.237 -2.937 -10.091 1.00 0.83 H new ATOM 0 HA ILE A 143 7.416 -5.287 -9.626 1.00 0.89 H new ATOM 0 HB ILE A 143 6.251 -3.806 -8.402 1.00 0.95 H new ATOM 0 HG12 ILE A 143 5.746 -2.310 -11.006 1.00 1.11 H new ATOM 0 HG13 ILE A 143 5.073 -3.899 -10.705 1.00 1.11 H new ATOM 0 HG21 ILE A 143 6.671 -1.355 -8.438 1.00 0.92 H new ATOM 0 HG22 ILE A 143 8.190 -2.268 -8.276 1.00 0.92 H new ATOM 0 HG23 ILE A 143 7.738 -1.564 -9.847 1.00 0.92 H new ATOM 0 HD11 ILE A 143 3.470 -2.128 -10.036 1.00 1.22 H new ATOM 0 HD12 ILE A 143 3.995 -3.062 -8.615 1.00 1.22 H new ATOM 0 HD13 ILE A 143 4.678 -1.448 -8.921 1.00 1.22 H new ATOM 2027 N SER A 144 6.579 -5.207 -11.995 1.00 1.00 N ATOM 2028 CA SER A 144 6.291 -5.267 -13.454 1.00 1.07 C ATOM 2029 C SER A 144 4.814 -5.590 -13.671 1.00 1.14 C ATOM 2030 O SER A 144 4.336 -5.629 -14.787 1.00 1.33 O ATOM 2031 CB SER A 144 7.150 -6.357 -14.097 1.00 1.17 C ATOM 2032 OG SER A 144 6.566 -7.626 -13.839 1.00 1.28 O ATOM 0 H SER A 144 6.142 -5.940 -11.436 1.00 1.00 H new ATOM 0 HA SER A 144 6.522 -4.304 -13.909 1.00 1.07 H new ATOM 0 HB2 SER A 144 7.226 -6.190 -15.171 1.00 1.17 H new ATOM 0 HB3 SER A 144 8.163 -6.322 -13.697 1.00 1.17 H new ATOM 0 HG SER A 144 7.113 -8.327 -14.251 1.00 1.28 H new ATOM 2038 N GLN A 145 4.083 -5.823 -12.615 1.00 1.08 N ATOM 2039 CA GLN A 145 2.636 -6.146 -12.782 1.00 1.29 C ATOM 2040 C GLN A 145 1.866 -5.775 -11.514 1.00 1.38 C ATOM 2041 O GLN A 145 2.430 -5.635 -10.447 1.00 1.99 O ATOM 2042 CB GLN A 145 2.474 -7.643 -13.054 1.00 1.40 C ATOM 2043 CG GLN A 145 3.812 -8.235 -13.503 1.00 1.94 C ATOM 2044 CD GLN A 145 3.670 -9.750 -13.666 1.00 2.35 C ATOM 2045 OE1 GLN A 145 2.533 -10.246 -14.068 1.00 2.30 O flip ATOM 2046 NE2 GLN A 145 4.605 -10.488 -13.425 1.00 3.30 N flip ATOM 0 H GLN A 145 4.420 -5.804 -11.653 1.00 1.08 H new ATOM 0 HA GLN A 145 2.240 -5.575 -13.622 1.00 1.29 H new ATOM 0 HB2 GLN A 145 2.125 -8.150 -12.154 1.00 1.40 H new ATOM 0 HB3 GLN A 145 1.719 -7.803 -13.823 1.00 1.40 H new ATOM 0 HG2 GLN A 145 4.123 -7.785 -14.446 1.00 1.94 H new ATOM 0 HG3 GLN A 145 4.586 -8.008 -12.770 1.00 1.94 H new ATOM 0 HE21 GLN A 145 5.494 -10.099 -13.111 1.00 3.30 H new ATOM 0 HE22 GLN A 145 4.501 -11.496 -13.537 1.00 3.30 H new ATOM 2055 N VAL A 146 0.575 -5.620 -11.627 1.00 1.54 N ATOM 2056 CA VAL A 146 -0.248 -5.265 -10.438 1.00 1.53 C ATOM 2057 C VAL A 146 -1.595 -5.987 -10.530 1.00 1.48 C ATOM 2058 O VAL A 146 -2.068 -6.297 -11.605 1.00 1.44 O ATOM 2059 CB VAL A 146 -0.467 -3.749 -10.405 1.00 1.59 C ATOM 2060 CG1 VAL A 146 -1.812 -3.434 -9.746 1.00 2.26 C ATOM 2061 CG2 VAL A 146 0.657 -3.092 -9.601 1.00 2.16 C ATOM 0 H VAL A 146 0.053 -5.725 -12.497 1.00 1.54 H new ATOM 0 HA VAL A 146 0.264 -5.570 -9.525 1.00 1.53 H new ATOM 0 HB VAL A 146 -0.466 -3.363 -11.424 1.00 1.59 H new ATOM 0 HG11 VAL A 146 -1.963 -2.355 -9.725 1.00 2.26 H new ATOM 0 HG12 VAL A 146 -2.615 -3.902 -10.316 1.00 2.26 H new ATOM 0 HG13 VAL A 146 -1.817 -3.821 -8.727 1.00 2.26 H new ATOM 0 HG21 VAL A 146 0.504 -2.013 -9.576 1.00 2.16 H new ATOM 0 HG22 VAL A 146 0.653 -3.483 -8.584 1.00 2.16 H new ATOM 0 HG23 VAL A 146 1.616 -3.311 -10.070 1.00 2.16 H new ATOM 2071 N SER A 147 -2.215 -6.262 -9.415 1.00 1.63 N ATOM 2072 CA SER A 147 -3.525 -6.968 -9.451 1.00 1.76 C ATOM 2073 C SER A 147 -4.572 -6.162 -8.681 1.00 2.04 C ATOM 2074 O SER A 147 -4.370 -5.783 -7.545 1.00 2.17 O ATOM 2075 CB SER A 147 -3.376 -8.350 -8.813 1.00 2.02 C ATOM 2076 OG SER A 147 -4.591 -9.070 -8.966 1.00 2.76 O ATOM 0 H SER A 147 -1.871 -6.029 -8.483 1.00 1.63 H new ATOM 0 HA SER A 147 -3.846 -7.075 -10.487 1.00 1.76 H new ATOM 0 HB2 SER A 147 -2.556 -8.894 -9.282 1.00 2.02 H new ATOM 0 HB3 SER A 147 -3.129 -8.251 -7.756 1.00 2.02 H new ATOM 0 HG SER A 147 -4.477 -9.981 -8.624 1.00 2.76 H new ATOM 2082 N LEU A 148 -5.696 -5.900 -9.294 1.00 2.31 N ATOM 2083 CA LEU A 148 -6.763 -5.122 -8.602 1.00 2.65 C ATOM 2084 C LEU A 148 -8.093 -5.869 -8.728 1.00 2.54 C ATOM 2085 O LEU A 148 -8.653 -5.979 -9.801 1.00 3.02 O ATOM 2086 CB LEU A 148 -6.892 -3.742 -9.251 1.00 3.24 C ATOM 2087 CG LEU A 148 -7.540 -2.768 -8.263 1.00 3.51 C ATOM 2088 CD1 LEU A 148 -8.777 -3.416 -7.637 1.00 4.57 C ATOM 2089 CD2 LEU A 148 -6.538 -2.417 -7.161 1.00 3.26 C ATOM 0 H LEU A 148 -5.921 -6.192 -10.245 1.00 2.31 H new ATOM 0 HA LEU A 148 -6.505 -5.005 -7.549 1.00 2.65 H new ATOM 0 HB2 LEU A 148 -5.909 -3.375 -9.547 1.00 3.24 H new ATOM 0 HB3 LEU A 148 -7.493 -3.810 -10.157 1.00 3.24 H new ATOM 0 HG LEU A 148 -7.835 -1.861 -8.792 1.00 3.51 H new ATOM 0 HD11 LEU A 148 -9.236 -2.720 -6.934 1.00 4.57 H new ATOM 0 HD12 LEU A 148 -9.493 -3.666 -8.420 1.00 4.57 H new ATOM 0 HD13 LEU A 148 -8.485 -4.324 -7.110 1.00 4.57 H new ATOM 0 HD21 LEU A 148 -6.999 -1.724 -6.458 1.00 3.26 H new ATOM 0 HD22 LEU A 148 -6.243 -3.325 -6.635 1.00 3.26 H new ATOM 0 HD23 LEU A 148 -5.658 -1.952 -7.604 1.00 3.26 H new ATOM 2101 N THR A 149 -8.604 -6.383 -7.644 1.00 2.09 N ATOM 2102 CA THR A 149 -9.896 -7.121 -7.710 1.00 2.24 C ATOM 2103 C THR A 149 -10.511 -7.207 -6.311 1.00 1.93 C ATOM 2104 O THR A 149 -10.038 -6.592 -5.376 1.00 1.84 O ATOM 2105 CB THR A 149 -9.650 -8.534 -8.245 1.00 2.53 C ATOM 2106 OG1 THR A 149 -10.765 -9.357 -7.932 1.00 3.07 O ATOM 2107 CG2 THR A 149 -8.388 -9.113 -7.605 1.00 2.42 C ATOM 0 H THR A 149 -8.183 -6.324 -6.717 1.00 2.09 H new ATOM 0 HA THR A 149 -10.580 -6.593 -8.375 1.00 2.24 H new ATOM 0 HB THR A 149 -9.519 -8.496 -9.326 1.00 2.53 H new ATOM 0 HG1 THR A 149 -11.377 -9.384 -8.697 1.00 3.07 H new ATOM 0 HG21 THR A 149 -8.215 -10.119 -7.987 1.00 2.42 H new ATOM 0 HG22 THR A 149 -7.534 -8.481 -7.848 1.00 2.42 H new ATOM 0 HG23 THR A 149 -8.514 -9.153 -6.523 1.00 2.42 H new ATOM 2115 N THR A 150 -11.562 -7.965 -6.163 1.00 1.92 N ATOM 2116 CA THR A 150 -12.209 -8.091 -4.826 1.00 1.72 C ATOM 2117 C THR A 150 -12.997 -9.402 -4.763 1.00 1.75 C ATOM 2118 O THR A 150 -12.456 -10.472 -4.959 1.00 2.00 O ATOM 2119 CB THR A 150 -13.161 -6.913 -4.608 1.00 1.59 C ATOM 2120 OG1 THR A 150 -13.794 -7.046 -3.343 1.00 1.52 O ATOM 2121 CG2 THR A 150 -14.221 -6.901 -5.712 1.00 1.66 C ATOM 0 H THR A 150 -12.001 -8.503 -6.910 1.00 1.92 H new ATOM 0 HA THR A 150 -11.444 -8.089 -4.050 1.00 1.72 H new ATOM 0 HB THR A 150 -12.598 -5.980 -4.637 1.00 1.59 H new ATOM 0 HG1 THR A 150 -13.248 -7.616 -2.762 1.00 1.52 H new ATOM 0 HG21 THR A 150 -14.899 -6.062 -5.556 1.00 1.66 H new ATOM 0 HG22 THR A 150 -13.735 -6.800 -6.682 1.00 1.66 H new ATOM 0 HG23 THR A 150 -14.785 -7.833 -5.685 1.00 1.66 H new