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 Single : A 12 HIS : no HD1:sc= -5.27! C(o=-5.3!,f=-8.9!) USER MOD Single : A 13 THR OG1 : rot -71:sc= 0.883 USER MOD Single : A 14 SER OG : rot 54:sc= 0.336 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 27:sc= 0.0946 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -94:sc= -5.93! USER MOD Single : A 28 SER OG : rot 180:sc= -0.15 USER MOD Single : A 37 MET CE :methyl -160:sc= -2.26 (180deg=-3.55!) USER MOD Single : A 45 GLN : amide:sc= -11.8! C(o=-12!,f=-10!) USER MOD Single : A 47 ASN : amide:sc= -24! C(o=-24!,f=-34!) USER MOD Single : A 55 TYR OH : rot -2:sc= -6.86! USER MOD Single : A 56 ASN : amide:sc= -8.36! C(o=-8.4!,f=-7!) USER MOD Single : A 65 SER OG : rot -75:sc= -1.35! USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 19:sc= 0.457 USER MOD Single : A 71 THR OG1 : rot 30:sc= -6.33! USER MOD Single : A 73 SER OG : rot 17:sc= 0.775 USER MOD Single : A 75 THR OG1 : rot -165:sc= -3.59! USER MOD Single : A 78 MET CE :methyl 176:sc= -4.39! (180deg=-4.57!) USER MOD Single : A 93 THR OG1 : rot 108:sc= -0.473! USER MOD Single : A 97 GLN : amide:sc= -3.88! C(o=-3.9!,f=-4.2!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.14! USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0975 USER MOD Single : A 111 TYR OH : rot 150:sc= -1.06 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0132 USER MOD Single : A 115 SER OG : rot 23:sc= -8.53! USER MOD Single : A 116 ASN : amide:sc= -1.84! K(o=-1.8!,f=-0.24) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 GLN : amide:sc= 0.746 K(o=0.75,f=-0.93) USER MOD Single : A 132 HIS : no HE2:sc= -3.32! C(o=-3.3!,f=-3.7!) USER MOD Single : A 135 LYS NZ :NH3+ 136:sc= 1.26 (180deg=0.968) USER MOD Single : A 139 TYR OH : rot 130:sc= -0.714 USER MOD Single : A 144 SER OG : rot 100:sc= -0.596 USER MOD Single : A 145 GLN : amide:sc= -3.46! C(o=-3.5!,f=-4.3!) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 149 THR OG1 : rot 108:sc= -0.383! USER MOD Single : A 150 THR OG1 : rot 143:sc= 0.363 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 7 -12.181 -9.953 -10.513 1.00 2.11 N ATOM 82 CA VAL A 7 -12.581 -8.536 -10.747 1.00 2.12 C ATOM 83 C VAL A 7 -11.374 -7.742 -11.251 1.00 2.11 C ATOM 84 O VAL A 7 -10.243 -8.164 -11.119 1.00 2.83 O ATOM 85 CB VAL A 7 -13.084 -7.925 -9.438 1.00 2.16 C ATOM 86 CG1 VAL A 7 -14.014 -6.750 -9.745 1.00 2.17 C ATOM 87 CG2 VAL A 7 -13.849 -8.984 -8.642 1.00 2.42 C ATOM 0 HA VAL A 7 -13.375 -8.501 -11.492 1.00 2.12 H new ATOM 0 HB VAL A 7 -12.234 -7.572 -8.853 1.00 2.16 H new ATOM 0 HG11 VAL A 7 -14.372 -6.316 -8.812 1.00 2.17 H new ATOM 0 HG12 VAL A 7 -13.470 -5.994 -10.312 1.00 2.17 H new ATOM 0 HG13 VAL A 7 -14.863 -7.102 -10.330 1.00 2.17 H new ATOM 0 HG21 VAL A 7 -14.208 -8.549 -7.709 1.00 2.42 H new ATOM 0 HG22 VAL A 7 -14.698 -9.337 -9.228 1.00 2.42 H new ATOM 0 HG23 VAL A 7 -13.187 -9.822 -8.421 1.00 2.42 H new ATOM 97 N GLU A 8 -11.606 -6.595 -11.828 1.00 1.96 N ATOM 98 CA GLU A 8 -10.471 -5.777 -12.341 1.00 2.32 C ATOM 99 C GLU A 8 -10.743 -4.296 -12.066 1.00 2.30 C ATOM 100 O GLU A 8 -10.894 -3.504 -12.974 1.00 2.59 O ATOM 101 CB GLU A 8 -10.323 -5.997 -13.847 1.00 3.06 C ATOM 102 CG GLU A 8 -8.889 -5.673 -14.272 1.00 3.55 C ATOM 103 CD GLU A 8 -8.852 -5.393 -15.775 1.00 4.20 C ATOM 104 OE1 GLU A 8 -9.521 -6.105 -16.508 1.00 4.42 O ATOM 105 OE2 GLU A 8 -8.156 -4.472 -16.170 1.00 4.75 O ATOM 0 H GLU A 8 -12.532 -6.189 -11.966 1.00 1.96 H new ATOM 0 HA GLU A 8 -9.552 -6.077 -11.838 1.00 2.32 H new ATOM 0 HB2 GLU A 8 -10.564 -7.030 -14.100 1.00 3.06 H new ATOM 0 HB3 GLU A 8 -11.026 -5.364 -14.389 1.00 3.06 H new ATOM 0 HG2 GLU A 8 -8.522 -4.807 -13.721 1.00 3.55 H new ATOM 0 HG3 GLU A 8 -8.230 -6.507 -14.031 1.00 3.55 H new ATOM 112 N LEU A 9 -10.808 -3.916 -10.819 1.00 2.76 N ATOM 113 CA LEU A 9 -11.069 -2.489 -10.485 1.00 3.48 C ATOM 114 C LEU A 9 -9.771 -1.689 -10.622 1.00 3.43 C ATOM 115 O LEU A 9 -9.654 -0.585 -10.130 1.00 4.12 O ATOM 116 CB LEU A 9 -11.583 -2.396 -9.049 1.00 3.72 C ATOM 117 CG LEU A 9 -13.089 -2.673 -9.024 1.00 4.22 C ATOM 118 CD1 LEU A 9 -13.399 -3.714 -7.946 1.00 4.95 C ATOM 119 CD2 LEU A 9 -13.841 -1.379 -8.711 1.00 3.49 C ATOM 0 H LEU A 9 -10.691 -4.534 -10.016 1.00 2.76 H new ATOM 0 HA LEU A 9 -11.816 -2.081 -11.166 1.00 3.48 H new ATOM 0 HB2 LEU A 9 -11.060 -3.114 -8.418 1.00 3.72 H new ATOM 0 HB3 LEU A 9 -11.378 -1.406 -8.642 1.00 3.72 H new ATOM 0 HG LEU A 9 -13.404 -3.051 -9.997 1.00 4.22 H new ATOM 0 HD11 LEU A 9 -14.471 -3.911 -7.928 1.00 4.95 H new ATOM 0 HD12 LEU A 9 -12.864 -4.637 -8.167 1.00 4.95 H new ATOM 0 HD13 LEU A 9 -13.083 -3.336 -6.974 1.00 4.95 H new ATOM 0 HD21 LEU A 9 -14.913 -1.576 -8.693 1.00 3.49 H new ATOM 0 HD22 LEU A 9 -13.525 -1.001 -7.739 1.00 3.49 H new ATOM 0 HD23 LEU A 9 -13.621 -0.636 -9.478 1.00 3.49 H new ATOM 131 N LEU A 10 -8.797 -2.242 -11.290 1.00 2.81 N ATOM 132 CA LEU A 10 -7.503 -1.523 -11.467 1.00 2.72 C ATOM 133 C LEU A 10 -7.286 -1.293 -12.967 1.00 2.86 C ATOM 134 O LEU A 10 -6.603 -2.052 -13.623 1.00 2.83 O ATOM 135 CB LEU A 10 -6.370 -2.395 -10.916 1.00 2.41 C ATOM 136 CG LEU A 10 -5.238 -1.536 -10.344 1.00 2.12 C ATOM 137 CD1 LEU A 10 -4.521 -2.316 -9.241 1.00 1.99 C ATOM 138 CD2 LEU A 10 -4.241 -1.210 -11.458 1.00 2.07 C ATOM 0 H LEU A 10 -8.841 -3.165 -11.723 1.00 2.81 H new ATOM 0 HA LEU A 10 -7.517 -0.570 -10.938 1.00 2.72 H new ATOM 0 HB2 LEU A 10 -6.759 -3.053 -10.139 1.00 2.41 H new ATOM 0 HB3 LEU A 10 -5.980 -3.034 -11.709 1.00 2.41 H new ATOM 0 HG LEU A 10 -5.648 -0.613 -9.935 1.00 2.12 H new ATOM 0 HD11 LEU A 10 -3.714 -1.708 -8.831 1.00 1.99 H new ATOM 0 HD12 LEU A 10 -5.229 -2.561 -8.449 1.00 1.99 H new ATOM 0 HD13 LEU A 10 -4.108 -3.236 -9.655 1.00 1.99 H new ATOM 0 HD21 LEU A 10 -3.433 -0.599 -11.056 1.00 2.07 H new ATOM 0 HD22 LEU A 10 -3.830 -2.136 -11.860 1.00 2.07 H new ATOM 0 HD23 LEU A 10 -4.749 -0.663 -12.252 1.00 2.07 H new ATOM 150 N PRO A 11 -7.888 -0.265 -13.501 1.00 3.10 N ATOM 151 CA PRO A 11 -7.792 0.073 -14.953 1.00 3.32 C ATOM 152 C PRO A 11 -6.348 0.176 -15.457 1.00 2.96 C ATOM 153 O PRO A 11 -6.033 0.997 -16.296 1.00 3.09 O ATOM 154 CB PRO A 11 -8.491 1.432 -15.066 1.00 3.83 C ATOM 155 CG PRO A 11 -9.382 1.528 -13.872 1.00 3.73 C ATOM 156 CD PRO A 11 -8.732 0.693 -12.770 1.00 3.29 C ATOM 0 HA PRO A 11 -8.244 -0.708 -15.564 1.00 3.32 H new ATOM 0 HB2 PRO A 11 -7.766 2.245 -15.080 1.00 3.83 H new ATOM 0 HB3 PRO A 11 -9.065 1.501 -15.990 1.00 3.83 H new ATOM 0 HG2 PRO A 11 -9.495 2.565 -13.556 1.00 3.73 H new ATOM 0 HG3 PRO A 11 -10.380 1.155 -14.103 1.00 3.73 H new ATOM 0 HD2 PRO A 11 -8.141 1.313 -12.096 1.00 3.29 H new ATOM 0 HD3 PRO A 11 -9.479 0.184 -12.162 1.00 3.29 H new ATOM 164 N HIS A 12 -5.469 -0.653 -14.965 1.00 2.52 N ATOM 165 CA HIS A 12 -4.055 -0.600 -15.432 1.00 2.16 C ATOM 166 C HIS A 12 -3.291 -1.812 -14.893 1.00 1.83 C ATOM 167 O HIS A 12 -3.455 -2.206 -13.756 1.00 1.69 O ATOM 168 CB HIS A 12 -3.392 0.684 -14.931 1.00 2.13 C ATOM 169 CG HIS A 12 -2.131 0.926 -15.713 1.00 1.93 C ATOM 170 ND1 HIS A 12 -2.115 0.953 -17.099 1.00 1.98 N ATOM 171 CD2 HIS A 12 -0.833 1.147 -15.320 1.00 1.81 C ATOM 172 CE1 HIS A 12 -0.848 1.181 -17.487 1.00 1.94 C ATOM 173 NE2 HIS A 12 -0.026 1.308 -16.442 1.00 1.82 N ATOM 0 H HIS A 12 -5.668 -1.364 -14.261 1.00 2.52 H new ATOM 0 HA HIS A 12 -4.037 -0.613 -16.522 1.00 2.16 H new ATOM 0 HB2 HIS A 12 -4.073 1.528 -15.045 1.00 2.13 H new ATOM 0 HB3 HIS A 12 -3.165 0.600 -13.868 1.00 2.13 H new ATOM 0 HD2 HIS A 12 -0.491 1.189 -14.296 1.00 1.81 H new ATOM 0 HE1 HIS A 12 -0.533 1.253 -18.518 1.00 1.94 H new ATOM 0 HE2 HIS A 12 0.978 1.485 -16.462 1.00 1.82 H new ATOM 181 N THR A 13 -2.455 -2.406 -15.701 1.00 1.82 N ATOM 182 CA THR A 13 -1.682 -3.590 -15.233 1.00 1.56 C ATOM 183 C THR A 13 -0.614 -3.947 -16.268 1.00 1.39 C ATOM 184 O THR A 13 -0.704 -4.953 -16.943 1.00 1.58 O ATOM 185 CB THR A 13 -2.630 -4.778 -15.050 1.00 1.72 C ATOM 186 OG1 THR A 13 -1.931 -5.984 -15.319 1.00 1.59 O ATOM 187 CG2 THR A 13 -3.812 -4.643 -16.012 1.00 1.97 C ATOM 0 H THR A 13 -2.275 -2.122 -16.664 1.00 1.82 H new ATOM 0 HA THR A 13 -1.202 -3.356 -14.283 1.00 1.56 H new ATOM 0 HB THR A 13 -3.001 -4.794 -14.025 1.00 1.72 H new ATOM 0 HG1 THR A 13 -1.750 -6.050 -16.280 1.00 1.59 H new ATOM 0 HG21 THR A 13 -4.486 -5.489 -15.881 1.00 1.97 H new ATOM 0 HG22 THR A 13 -4.347 -3.717 -15.803 1.00 1.97 H new ATOM 0 HG23 THR A 13 -3.446 -4.627 -17.038 1.00 1.97 H new ATOM 195 N SER A 14 0.398 -3.133 -16.401 1.00 1.20 N ATOM 196 CA SER A 14 1.465 -3.438 -17.396 1.00 1.07 C ATOM 197 C SER A 14 2.651 -2.493 -17.194 1.00 1.04 C ATOM 198 O SER A 14 2.841 -1.552 -17.941 1.00 1.10 O ATOM 199 CB SER A 14 0.907 -3.259 -18.809 1.00 1.14 C ATOM 200 OG SER A 14 0.282 -1.987 -18.910 1.00 1.96 O ATOM 0 H SER A 14 0.532 -2.274 -15.867 1.00 1.20 H new ATOM 0 HA SER A 14 1.799 -4.467 -17.260 1.00 1.07 H new ATOM 0 HB2 SER A 14 1.709 -3.342 -19.542 1.00 1.14 H new ATOM 0 HB3 SER A 14 0.189 -4.048 -19.031 1.00 1.14 H new ATOM 0 HG SER A 14 0.911 -1.290 -18.629 1.00 1.96 H new ATOM 206 N PHE A 15 3.457 -2.739 -16.199 1.00 1.01 N ATOM 207 CA PHE A 15 4.637 -1.860 -15.958 1.00 1.00 C ATOM 208 C PHE A 15 5.837 -2.411 -16.734 1.00 1.00 C ATOM 209 O PHE A 15 6.976 -2.141 -16.409 1.00 0.98 O ATOM 210 CB PHE A 15 4.966 -1.843 -14.462 1.00 0.98 C ATOM 211 CG PHE A 15 4.145 -0.783 -13.767 1.00 0.88 C ATOM 212 CD1 PHE A 15 2.749 -0.881 -13.747 1.00 1.74 C ATOM 213 CD2 PHE A 15 4.781 0.295 -13.138 1.00 1.11 C ATOM 214 CE1 PHE A 15 1.988 0.097 -13.096 1.00 1.76 C ATOM 215 CE2 PHE A 15 4.019 1.274 -12.488 1.00 1.14 C ATOM 216 CZ PHE A 15 2.623 1.175 -12.467 1.00 0.95 C ATOM 0 H PHE A 15 3.350 -3.511 -15.541 1.00 1.01 H new ATOM 0 HA PHE A 15 4.414 -0.846 -16.291 1.00 1.00 H new ATOM 0 HB2 PHE A 15 4.760 -2.820 -14.024 1.00 0.98 H new ATOM 0 HB3 PHE A 15 6.028 -1.646 -14.317 1.00 0.98 H new ATOM 0 HD1 PHE A 15 2.259 -1.711 -14.234 1.00 1.74 H new ATOM 0 HD2 PHE A 15 5.858 0.371 -13.154 1.00 1.11 H new ATOM 0 HE1 PHE A 15 0.911 0.020 -13.079 1.00 1.76 H new ATOM 0 HE2 PHE A 15 4.509 2.105 -12.003 1.00 1.14 H new ATOM 0 HZ PHE A 15 2.036 1.930 -11.966 1.00 0.95 H new ATOM 226 N ALA A 16 5.587 -3.186 -17.754 1.00 1.06 N ATOM 227 CA ALA A 16 6.709 -3.764 -18.549 1.00 1.09 C ATOM 228 C ALA A 16 7.076 -2.819 -19.694 1.00 1.10 C ATOM 229 O ALA A 16 8.188 -2.828 -20.186 1.00 1.18 O ATOM 230 CB ALA A 16 6.278 -5.114 -19.125 1.00 1.14 C ATOM 0 H ALA A 16 4.653 -3.445 -18.072 1.00 1.06 H new ATOM 0 HA ALA A 16 7.576 -3.898 -17.902 1.00 1.09 H new ATOM 0 HB1 ALA A 16 7.096 -5.539 -19.707 1.00 1.14 H new ATOM 0 HB2 ALA A 16 6.021 -5.792 -18.311 1.00 1.14 H new ATOM 0 HB3 ALA A 16 5.409 -4.974 -19.769 1.00 1.14 H new ATOM 236 N GLU A 17 6.154 -2.004 -20.129 1.00 1.15 N ATOM 237 CA GLU A 17 6.455 -1.066 -21.244 1.00 1.19 C ATOM 238 C GLU A 17 6.510 0.366 -20.711 1.00 1.29 C ATOM 239 O GLU A 17 7.513 1.042 -20.827 1.00 1.41 O ATOM 240 CB GLU A 17 5.357 -1.175 -22.302 1.00 1.32 C ATOM 241 CG GLU A 17 5.740 -2.242 -23.331 1.00 1.41 C ATOM 242 CD GLU A 17 6.779 -1.670 -24.298 1.00 1.67 C ATOM 243 OE1 GLU A 17 6.514 -0.627 -24.871 1.00 1.96 O ATOM 244 OE2 GLU A 17 7.821 -2.285 -24.447 1.00 2.13 O ATOM 0 H GLU A 17 5.205 -1.948 -19.759 1.00 1.15 H new ATOM 0 HA GLU A 17 7.418 -1.322 -21.686 1.00 1.19 H new ATOM 0 HB2 GLU A 17 4.409 -1.433 -21.831 1.00 1.32 H new ATOM 0 HB3 GLU A 17 5.217 -0.213 -22.795 1.00 1.32 H new ATOM 0 HG2 GLU A 17 6.142 -3.121 -22.827 1.00 1.41 H new ATOM 0 HG3 GLU A 17 4.856 -2.566 -23.880 1.00 1.41 H new ATOM 251 N SER A 18 5.442 0.833 -20.127 1.00 1.41 N ATOM 252 CA SER A 18 5.437 2.221 -19.588 1.00 1.64 C ATOM 253 C SER A 18 4.641 2.259 -18.283 1.00 1.51 C ATOM 254 O SER A 18 3.646 1.578 -18.132 1.00 1.30 O ATOM 255 CB SER A 18 4.791 3.163 -20.604 1.00 2.02 C ATOM 256 OG SER A 18 5.535 3.128 -21.815 1.00 2.26 O ATOM 0 H SER A 18 4.573 0.314 -20.000 1.00 1.41 H new ATOM 0 HA SER A 18 6.462 2.539 -19.399 1.00 1.64 H new ATOM 0 HB2 SER A 18 3.759 2.865 -20.789 1.00 2.02 H new ATOM 0 HB3 SER A 18 4.764 4.179 -20.210 1.00 2.02 H new ATOM 0 HG SER A 18 5.123 3.730 -22.470 1.00 2.26 H new ATOM 262 N LEU A 19 5.069 3.049 -17.337 1.00 1.67 N ATOM 263 CA LEU A 19 4.332 3.127 -16.045 1.00 1.59 C ATOM 264 C LEU A 19 2.836 3.271 -16.329 1.00 1.72 C ATOM 265 O LEU A 19 2.004 2.769 -15.601 1.00 2.45 O ATOM 266 CB LEU A 19 4.811 4.333 -15.226 1.00 1.61 C ATOM 267 CG LEU A 19 6.078 4.938 -15.840 1.00 1.71 C ATOM 268 CD1 LEU A 19 7.173 3.872 -15.947 1.00 2.60 C ATOM 269 CD2 LEU A 19 5.760 5.501 -17.228 1.00 1.37 C ATOM 0 H LEU A 19 5.896 3.643 -17.403 1.00 1.67 H new ATOM 0 HA LEU A 19 4.520 2.218 -15.474 1.00 1.59 H new ATOM 0 HB2 LEU A 19 4.025 5.087 -15.186 1.00 1.61 H new ATOM 0 HB3 LEU A 19 5.010 4.025 -14.199 1.00 1.61 H new ATOM 0 HG LEU A 19 6.434 5.744 -15.198 1.00 1.71 H new ATOM 0 HD11 LEU A 19 8.069 4.313 -16.385 1.00 2.60 H new ATOM 0 HD12 LEU A 19 7.406 3.488 -14.954 1.00 2.60 H new ATOM 0 HD13 LEU A 19 6.825 3.055 -16.579 1.00 2.60 H new ATOM 0 HD21 LEU A 19 6.663 5.931 -17.662 1.00 1.37 H new ATOM 0 HD22 LEU A 19 5.394 4.700 -17.870 1.00 1.37 H new ATOM 0 HD23 LEU A 19 4.996 6.274 -17.141 1.00 1.37 H new ATOM 281 N GLY A 20 2.489 3.955 -17.386 1.00 1.44 N ATOM 282 CA GLY A 20 1.047 4.131 -17.720 1.00 1.58 C ATOM 283 C GLY A 20 0.452 5.243 -16.854 1.00 1.59 C ATOM 284 O GLY A 20 1.163 6.027 -16.258 1.00 1.62 O ATOM 0 H GLY A 20 3.142 4.399 -18.032 1.00 1.44 H new ATOM 0 HA2 GLY A 20 0.935 4.379 -18.776 1.00 1.58 H new ATOM 0 HA3 GLY A 20 0.508 3.198 -17.553 1.00 1.58 H new ATOM 288 N PRO A 21 -0.850 5.305 -16.789 1.00 1.60 N ATOM 289 CA PRO A 21 -1.571 6.334 -15.988 1.00 1.60 C ATOM 290 C PRO A 21 -1.109 6.364 -14.529 1.00 1.43 C ATOM 291 O PRO A 21 -1.278 7.347 -13.835 1.00 1.67 O ATOM 292 CB PRO A 21 -3.041 5.911 -16.072 1.00 1.68 C ATOM 293 CG PRO A 21 -3.144 5.053 -17.289 1.00 1.70 C ATOM 294 CD PRO A 21 -1.778 4.396 -17.480 1.00 1.63 C ATOM 0 HA PRO A 21 -1.387 7.338 -16.370 1.00 1.60 H new ATOM 0 HB2 PRO A 21 -3.343 5.363 -15.179 1.00 1.68 H new ATOM 0 HB3 PRO A 21 -3.695 6.780 -16.149 1.00 1.68 H new ATOM 0 HG2 PRO A 21 -3.922 4.300 -17.167 1.00 1.70 H new ATOM 0 HG3 PRO A 21 -3.412 5.649 -18.161 1.00 1.70 H new ATOM 0 HD2 PRO A 21 -1.752 3.395 -17.049 1.00 1.63 H new ATOM 0 HD3 PRO A 21 -1.527 4.295 -18.536 1.00 1.63 H new ATOM 302 N TRP A 22 -0.527 5.295 -14.056 1.00 1.30 N ATOM 303 CA TRP A 22 -0.058 5.271 -12.641 1.00 1.15 C ATOM 304 C TRP A 22 0.837 6.484 -12.383 1.00 1.24 C ATOM 305 O TRP A 22 0.898 7.402 -13.177 1.00 1.48 O ATOM 306 CB TRP A 22 0.730 3.984 -12.381 1.00 1.19 C ATOM 307 CG TRP A 22 -0.199 2.922 -11.888 1.00 1.24 C ATOM 308 CD1 TRP A 22 -1.364 2.575 -12.481 1.00 1.40 C ATOM 309 CD2 TRP A 22 -0.065 2.063 -10.715 1.00 1.50 C ATOM 310 NE1 TRP A 22 -1.955 1.559 -11.750 1.00 1.52 N ATOM 311 CE2 TRP A 22 -1.193 1.208 -10.653 1.00 1.59 C ATOM 312 CE3 TRP A 22 0.912 1.943 -9.712 1.00 1.94 C ATOM 313 CZ2 TRP A 22 -1.344 0.269 -9.630 1.00 1.97 C ATOM 314 CZ3 TRP A 22 0.764 1.000 -8.682 1.00 2.42 C ATOM 315 CH2 TRP A 22 -0.361 0.164 -8.641 1.00 2.39 C ATOM 0 H TRP A 22 -0.357 4.440 -14.586 1.00 1.30 H new ATOM 0 HA TRP A 22 -0.918 5.305 -11.972 1.00 1.15 H new ATOM 0 HB2 TRP A 22 1.222 3.655 -13.296 1.00 1.19 H new ATOM 0 HB3 TRP A 22 1.513 4.167 -11.646 1.00 1.19 H new ATOM 0 HD1 TRP A 22 -1.768 3.019 -13.379 1.00 1.40 H new ATOM 0 HE1 TRP A 22 -2.845 1.123 -11.992 1.00 1.52 H new ATOM 0 HE3 TRP A 22 1.783 2.581 -9.733 1.00 1.94 H new ATOM 0 HZ2 TRP A 22 -2.213 -0.371 -9.603 1.00 1.97 H new ATOM 0 HZ3 TRP A 22 1.521 0.918 -7.917 1.00 2.42 H new ATOM 0 HH2 TRP A 22 -0.468 -0.560 -7.847 1.00 2.39 H new ATOM 326 N SER A 23 1.532 6.496 -11.281 1.00 1.20 N ATOM 327 CA SER A 23 2.420 7.652 -10.973 1.00 1.36 C ATOM 328 C SER A 23 3.651 7.158 -10.212 1.00 1.28 C ATOM 329 O SER A 23 3.659 6.073 -9.664 1.00 1.33 O ATOM 330 CB SER A 23 1.660 8.666 -10.116 1.00 1.45 C ATOM 331 OG SER A 23 1.006 9.599 -10.963 1.00 1.64 O ATOM 0 H SER A 23 1.524 5.755 -10.580 1.00 1.20 H new ATOM 0 HA SER A 23 2.734 8.128 -11.902 1.00 1.36 H new ATOM 0 HB2 SER A 23 0.931 8.154 -9.488 1.00 1.45 H new ATOM 0 HB3 SER A 23 2.349 9.184 -9.448 1.00 1.45 H new ATOM 0 HG SER A 23 0.815 9.178 -11.827 1.00 1.64 H new ATOM 337 N LEU A 24 4.692 7.943 -10.175 1.00 1.31 N ATOM 338 CA LEU A 24 5.921 7.513 -9.453 1.00 1.25 C ATOM 339 C LEU A 24 6.780 8.735 -9.125 1.00 1.30 C ATOM 340 O LEU A 24 6.949 9.624 -9.935 1.00 1.47 O ATOM 341 CB LEU A 24 6.718 6.555 -10.337 1.00 1.40 C ATOM 342 CG LEU A 24 7.136 7.280 -11.618 1.00 1.44 C ATOM 343 CD1 LEU A 24 8.610 7.683 -11.528 1.00 2.02 C ATOM 344 CD2 LEU A 24 6.930 6.356 -12.820 1.00 2.05 C ATOM 0 H LEU A 24 4.744 8.863 -10.613 1.00 1.31 H new ATOM 0 HA LEU A 24 5.640 7.011 -8.527 1.00 1.25 H new ATOM 0 HB2 LEU A 24 7.599 6.197 -9.804 1.00 1.40 H new ATOM 0 HB3 LEU A 24 6.115 5.680 -10.581 1.00 1.40 H new ATOM 0 HG LEU A 24 6.526 8.175 -11.739 1.00 1.44 H new ATOM 0 HD11 LEU A 24 8.903 8.199 -12.443 1.00 2.02 H new ATOM 0 HD12 LEU A 24 8.754 8.346 -10.675 1.00 2.02 H new ATOM 0 HD13 LEU A 24 9.224 6.791 -11.402 1.00 2.02 H new ATOM 0 HD21 LEU A 24 7.228 6.873 -13.732 1.00 2.05 H new ATOM 0 HD22 LEU A 24 7.536 5.459 -12.697 1.00 2.05 H new ATOM 0 HD23 LEU A 24 5.879 6.077 -12.888 1.00 2.05 H new ATOM 356 N TYR A 25 7.326 8.783 -7.942 1.00 1.23 N ATOM 357 CA TYR A 25 8.177 9.945 -7.561 1.00 1.38 C ATOM 358 C TYR A 25 8.737 9.723 -6.156 1.00 1.34 C ATOM 359 O TYR A 25 8.145 9.045 -5.340 1.00 1.42 O ATOM 360 CB TYR A 25 7.334 11.222 -7.578 1.00 1.72 C ATOM 361 CG TYR A 25 6.585 11.349 -6.273 1.00 1.09 C ATOM 362 CD1 TYR A 25 5.790 10.291 -5.816 1.00 1.22 C ATOM 363 CD2 TYR A 25 6.686 12.525 -5.520 1.00 1.62 C ATOM 364 CE1 TYR A 25 5.097 10.409 -4.605 1.00 1.27 C ATOM 365 CE2 TYR A 25 5.993 12.642 -4.309 1.00 1.57 C ATOM 366 CZ TYR A 25 5.198 11.585 -3.852 1.00 1.08 C ATOM 367 OH TYR A 25 4.514 11.701 -2.659 1.00 1.63 O ATOM 0 H TYR A 25 7.220 8.068 -7.222 1.00 1.23 H new ATOM 0 HA TYR A 25 8.999 10.044 -8.270 1.00 1.38 H new ATOM 0 HB2 TYR A 25 7.974 12.091 -7.728 1.00 1.72 H new ATOM 0 HB3 TYR A 25 6.632 11.196 -8.411 1.00 1.72 H new ATOM 0 HD1 TYR A 25 5.711 9.384 -6.397 1.00 1.22 H new ATOM 0 HD2 TYR A 25 7.298 13.342 -5.873 1.00 1.62 H new ATOM 0 HE1 TYR A 25 4.484 9.593 -4.252 1.00 1.27 H new ATOM 0 HE2 TYR A 25 6.072 13.549 -3.727 1.00 1.57 H new ATOM 0 HH TYR A 25 4.694 12.579 -2.263 1.00 1.63 H new ATOM 377 N GLY A 26 9.875 10.292 -5.866 1.00 1.33 N ATOM 378 CA GLY A 26 10.468 10.115 -4.511 1.00 1.32 C ATOM 379 C GLY A 26 11.719 9.238 -4.602 1.00 1.25 C ATOM 380 O GLY A 26 12.629 9.359 -3.806 1.00 1.70 O ATOM 0 H GLY A 26 10.418 10.870 -6.507 1.00 1.33 H new ATOM 0 HA2 GLY A 26 10.724 11.086 -4.086 1.00 1.32 H new ATOM 0 HA3 GLY A 26 9.739 9.657 -3.842 1.00 1.32 H new ATOM 384 N THR A 27 11.779 8.356 -5.563 1.00 0.93 N ATOM 385 CA THR A 27 12.979 7.482 -5.690 1.00 0.90 C ATOM 386 C THR A 27 13.775 7.886 -6.935 1.00 0.92 C ATOM 387 O THR A 27 13.876 9.051 -7.266 1.00 0.97 O ATOM 388 CB THR A 27 12.518 6.019 -5.797 1.00 0.88 C ATOM 389 OG1 THR A 27 13.302 5.314 -6.746 1.00 0.73 O ATOM 390 CG2 THR A 27 11.049 5.976 -6.223 1.00 0.95 C ATOM 0 H THR A 27 11.052 8.204 -6.262 1.00 0.93 H new ATOM 0 HA THR A 27 13.621 7.593 -4.816 1.00 0.90 H new ATOM 0 HB THR A 27 12.637 5.546 -4.822 1.00 0.88 H new ATOM 0 HG1 THR A 27 12.855 5.332 -7.618 1.00 0.73 H new ATOM 0 HG21 THR A 27 10.722 4.939 -6.299 1.00 0.95 H new ATOM 0 HG22 THR A 27 10.440 6.495 -5.483 1.00 0.95 H new ATOM 0 HG23 THR A 27 10.937 6.463 -7.191 1.00 0.95 H new ATOM 398 N SER A 28 14.333 6.935 -7.627 1.00 1.12 N ATOM 399 CA SER A 28 15.116 7.257 -8.853 1.00 1.40 C ATOM 400 C SER A 28 14.193 7.204 -10.071 1.00 1.29 C ATOM 401 O SER A 28 12.984 7.181 -9.946 1.00 0.98 O ATOM 402 CB SER A 28 16.243 6.237 -9.022 1.00 1.80 C ATOM 403 OG SER A 28 15.773 5.143 -9.797 1.00 1.73 O ATOM 0 H SER A 28 14.281 5.943 -7.396 1.00 1.12 H new ATOM 0 HA SER A 28 15.543 8.256 -8.761 1.00 1.40 H new ATOM 0 HB2 SER A 28 17.100 6.702 -9.510 1.00 1.80 H new ATOM 0 HB3 SER A 28 16.582 5.888 -8.047 1.00 1.80 H new ATOM 0 HG SER A 28 16.493 4.488 -9.909 1.00 1.73 H new ATOM 409 N GLU A 29 14.753 7.176 -11.248 1.00 1.62 N ATOM 410 CA GLU A 29 13.909 7.112 -12.473 1.00 1.60 C ATOM 411 C GLU A 29 13.665 5.642 -12.835 1.00 1.23 C ATOM 412 O GLU A 29 14.579 4.940 -13.220 1.00 1.37 O ATOM 413 CB GLU A 29 14.636 7.805 -13.628 1.00 2.07 C ATOM 414 CG GLU A 29 13.677 7.973 -14.808 1.00 1.86 C ATOM 415 CD GLU A 29 14.447 7.810 -16.120 1.00 1.99 C ATOM 416 OE1 GLU A 29 15.646 8.036 -16.111 1.00 2.40 O ATOM 417 OE2 GLU A 29 13.825 7.464 -17.110 1.00 2.35 O ATOM 0 H GLU A 29 15.759 7.195 -11.414 1.00 1.62 H new ATOM 0 HA GLU A 29 12.957 7.611 -12.292 1.00 1.60 H new ATOM 0 HB2 GLU A 29 15.007 8.778 -13.306 1.00 2.07 H new ATOM 0 HB3 GLU A 29 15.503 7.217 -13.931 1.00 2.07 H new ATOM 0 HG2 GLU A 29 12.878 7.234 -14.749 1.00 1.86 H new ATOM 0 HG3 GLU A 29 13.206 8.955 -14.770 1.00 1.86 H new ATOM 424 N PRO A 30 12.450 5.172 -12.711 1.00 0.95 N ATOM 425 CA PRO A 30 12.109 3.757 -13.031 1.00 0.81 C ATOM 426 C PRO A 30 12.752 3.295 -14.340 1.00 0.80 C ATOM 427 O PRO A 30 13.056 4.092 -15.206 1.00 0.86 O ATOM 428 CB PRO A 30 10.587 3.771 -13.159 1.00 0.94 C ATOM 429 CG PRO A 30 10.127 4.908 -12.307 1.00 1.13 C ATOM 430 CD PRO A 30 11.269 5.926 -12.260 1.00 1.10 C ATOM 0 HA PRO A 30 12.474 3.067 -12.270 1.00 0.81 H new ATOM 0 HB2 PRO A 30 10.281 3.909 -14.196 1.00 0.94 H new ATOM 0 HB3 PRO A 30 10.156 2.828 -12.822 1.00 0.94 H new ATOM 0 HG2 PRO A 30 9.225 5.359 -12.721 1.00 1.13 H new ATOM 0 HG3 PRO A 30 9.878 4.562 -11.304 1.00 1.13 H new ATOM 0 HD2 PRO A 30 11.069 6.778 -12.910 1.00 1.10 H new ATOM 0 HD3 PRO A 30 11.409 6.320 -11.253 1.00 1.10 H new ATOM 438 N VAL A 31 12.969 2.019 -14.492 1.00 0.80 N ATOM 439 CA VAL A 31 13.600 1.526 -15.748 1.00 0.82 C ATOM 440 C VAL A 31 12.926 0.230 -16.205 1.00 0.78 C ATOM 441 O VAL A 31 13.220 -0.840 -15.706 1.00 0.84 O ATOM 442 CB VAL A 31 15.086 1.263 -15.499 1.00 0.92 C ATOM 443 CG1 VAL A 31 15.775 0.928 -16.823 1.00 0.99 C ATOM 444 CG2 VAL A 31 15.730 2.513 -14.893 1.00 1.05 C ATOM 0 H VAL A 31 12.739 1.300 -13.806 1.00 0.80 H new ATOM 0 HA VAL A 31 13.482 2.281 -16.525 1.00 0.82 H new ATOM 0 HB VAL A 31 15.195 0.425 -14.810 1.00 0.92 H new ATOM 0 HG11 VAL A 31 16.834 0.741 -16.645 1.00 0.99 H new ATOM 0 HG12 VAL A 31 15.317 0.039 -17.257 1.00 0.99 H new ATOM 0 HG13 VAL A 31 15.666 1.765 -17.512 1.00 0.99 H new ATOM 0 HG21 VAL A 31 16.789 2.327 -14.715 1.00 1.05 H new ATOM 0 HG22 VAL A 31 15.620 3.350 -15.583 1.00 1.05 H new ATOM 0 HG23 VAL A 31 15.240 2.753 -13.949 1.00 1.05 H new ATOM 454 N PHE A 32 12.041 0.321 -17.163 1.00 0.74 N ATOM 455 CA PHE A 32 11.357 -0.900 -17.681 1.00 0.77 C ATOM 456 C PHE A 32 12.331 -1.688 -18.556 1.00 0.87 C ATOM 457 O PHE A 32 12.336 -1.575 -19.765 1.00 1.19 O ATOM 458 CB PHE A 32 10.123 -0.495 -18.493 1.00 0.78 C ATOM 459 CG PHE A 32 10.324 0.881 -19.083 1.00 0.93 C ATOM 460 CD1 PHE A 32 11.582 1.276 -19.552 1.00 1.50 C ATOM 461 CD2 PHE A 32 9.241 1.766 -19.156 1.00 1.63 C ATOM 462 CE1 PHE A 32 11.757 2.555 -20.095 1.00 1.78 C ATOM 463 CE2 PHE A 32 9.414 3.044 -19.697 1.00 1.82 C ATOM 464 CZ PHE A 32 10.672 3.439 -20.168 1.00 1.56 C ATOM 0 H PHE A 32 11.761 1.194 -17.611 1.00 0.74 H new ATOM 0 HA PHE A 32 11.037 -1.525 -16.848 1.00 0.77 H new ATOM 0 HB2 PHE A 32 9.947 -1.219 -19.289 1.00 0.78 H new ATOM 0 HB3 PHE A 32 9.239 -0.501 -17.855 1.00 0.78 H new ATOM 0 HD1 PHE A 32 12.418 0.594 -19.495 1.00 1.50 H new ATOM 0 HD2 PHE A 32 8.270 1.461 -18.794 1.00 1.63 H new ATOM 0 HE1 PHE A 32 12.728 2.860 -20.457 1.00 1.78 H new ATOM 0 HE2 PHE A 32 8.578 3.726 -19.751 1.00 1.82 H new ATOM 0 HZ PHE A 32 10.806 4.425 -20.588 1.00 1.56 H new ATOM 474 N ALA A 33 13.167 -2.480 -17.942 1.00 0.77 N ATOM 475 CA ALA A 33 14.158 -3.273 -18.725 1.00 0.84 C ATOM 476 C ALA A 33 13.518 -4.575 -19.215 1.00 0.67 C ATOM 477 O ALA A 33 12.619 -4.564 -20.031 1.00 0.92 O ATOM 478 CB ALA A 33 15.364 -3.591 -17.840 1.00 1.17 C ATOM 0 H ALA A 33 13.207 -2.613 -16.931 1.00 0.77 H new ATOM 0 HA ALA A 33 14.482 -2.693 -19.589 1.00 0.84 H new ATOM 0 HB1 ALA A 33 16.090 -4.171 -18.409 1.00 1.17 H new ATOM 0 HB2 ALA A 33 15.824 -2.662 -17.504 1.00 1.17 H new ATOM 0 HB3 ALA A 33 15.038 -4.168 -16.974 1.00 1.17 H new ATOM 484 N ASP A 34 13.983 -5.697 -18.734 1.00 0.77 N ATOM 485 CA ASP A 34 13.410 -6.998 -19.180 1.00 0.85 C ATOM 486 C ASP A 34 11.910 -7.033 -18.879 1.00 0.84 C ATOM 487 O ASP A 34 11.448 -7.806 -18.065 1.00 0.99 O ATOM 488 CB ASP A 34 14.104 -8.142 -18.438 1.00 1.13 C ATOM 489 CG ASP A 34 15.157 -8.777 -19.349 1.00 1.54 C ATOM 490 OD1 ASP A 34 15.604 -8.104 -20.264 1.00 2.21 O ATOM 491 OD2 ASP A 34 15.498 -9.925 -19.117 1.00 1.78 O ATOM 0 H ASP A 34 14.736 -5.768 -18.050 1.00 0.77 H new ATOM 0 HA ASP A 34 13.565 -7.110 -20.253 1.00 0.85 H new ATOM 0 HB2 ASP A 34 14.573 -7.768 -17.528 1.00 1.13 H new ATOM 0 HB3 ASP A 34 13.372 -8.890 -18.135 1.00 1.13 H new ATOM 496 N GLY A 35 11.146 -6.203 -19.533 1.00 0.84 N ATOM 497 CA GLY A 35 9.677 -6.191 -19.285 1.00 1.02 C ATOM 498 C GLY A 35 9.409 -5.878 -17.813 1.00 0.90 C ATOM 499 O GLY A 35 8.284 -5.919 -17.357 1.00 1.19 O ATOM 0 H GLY A 35 11.475 -5.533 -20.228 1.00 0.84 H new ATOM 0 HA2 GLY A 35 9.197 -5.446 -19.919 1.00 1.02 H new ATOM 0 HA3 GLY A 35 9.246 -7.157 -19.546 1.00 1.02 H new ATOM 503 N ARG A 36 10.430 -5.558 -17.064 1.00 0.66 N ATOM 504 CA ARG A 36 10.219 -5.237 -15.625 1.00 0.63 C ATOM 505 C ARG A 36 10.747 -3.834 -15.335 1.00 0.62 C ATOM 506 O ARG A 36 11.765 -3.421 -15.852 1.00 0.68 O ATOM 507 CB ARG A 36 10.961 -6.248 -14.746 1.00 0.70 C ATOM 508 CG ARG A 36 12.377 -6.460 -15.281 1.00 1.16 C ATOM 509 CD ARG A 36 13.185 -7.257 -14.256 1.00 1.40 C ATOM 510 NE ARG A 36 14.396 -6.478 -13.864 1.00 2.02 N ATOM 511 CZ ARG A 36 15.154 -5.922 -14.770 1.00 2.19 C ATOM 512 NH1 ARG A 36 14.903 -6.105 -16.037 1.00 2.28 N ATOM 513 NH2 ARG A 36 16.176 -5.196 -14.407 1.00 2.91 N ATOM 0 H ARG A 36 11.397 -5.505 -17.386 1.00 0.66 H new ATOM 0 HA ARG A 36 9.153 -5.284 -15.403 1.00 0.63 H new ATOM 0 HB2 ARG A 36 11.001 -5.889 -13.718 1.00 0.70 H new ATOM 0 HB3 ARG A 36 10.422 -7.195 -14.732 1.00 0.70 H new ATOM 0 HG2 ARG A 36 12.344 -6.994 -16.231 1.00 1.16 H new ATOM 0 HG3 ARG A 36 12.855 -5.499 -15.472 1.00 1.16 H new ATOM 0 HD2 ARG A 36 12.574 -7.466 -13.378 1.00 1.40 H new ATOM 0 HD3 ARG A 36 13.478 -8.219 -14.676 1.00 1.40 H new ATOM 0 HE ARG A 36 14.634 -6.379 -12.877 1.00 2.02 H new ATOM 0 HH11 ARG A 36 14.113 -6.684 -16.322 1.00 2.28 H new ATOM 0 HH12 ARG A 36 15.497 -5.669 -16.743 1.00 2.28 H new ATOM 0 HH21 ARG A 36 16.382 -5.064 -13.417 1.00 2.91 H new ATOM 0 HH22 ARG A 36 16.769 -4.761 -15.114 1.00 2.91 H new ATOM 527 N MET A 37 10.062 -3.100 -14.505 1.00 0.63 N ATOM 528 CA MET A 37 10.524 -1.726 -14.172 1.00 0.67 C ATOM 529 C MET A 37 10.925 -1.679 -12.702 1.00 0.68 C ATOM 530 O MET A 37 10.149 -2.007 -11.825 1.00 0.67 O ATOM 531 CB MET A 37 9.396 -0.725 -14.442 1.00 0.71 C ATOM 532 CG MET A 37 9.519 0.463 -13.485 1.00 0.75 C ATOM 533 SD MET A 37 8.693 0.067 -11.924 1.00 0.88 S ATOM 534 CE MET A 37 9.553 1.280 -10.893 1.00 0.93 C ATOM 0 H MET A 37 9.201 -3.393 -14.043 1.00 0.63 H new ATOM 0 HA MET A 37 11.383 -1.464 -14.790 1.00 0.67 H new ATOM 0 HB2 MET A 37 9.444 -0.379 -15.474 1.00 0.71 H new ATOM 0 HB3 MET A 37 8.428 -1.210 -14.313 1.00 0.71 H new ATOM 0 HG2 MET A 37 10.569 0.692 -13.305 1.00 0.75 H new ATOM 0 HG3 MET A 37 9.071 1.351 -13.931 1.00 0.75 H new ATOM 0 HE1 MET A 37 9.472 0.990 -9.845 1.00 0.93 H new ATOM 0 HE2 MET A 37 10.604 1.320 -11.178 1.00 0.93 H new ATOM 0 HE3 MET A 37 9.102 2.262 -11.034 1.00 0.93 H new ATOM 544 N CYS A 38 12.136 -1.288 -12.423 1.00 0.73 N ATOM 545 CA CYS A 38 12.576 -1.240 -11.002 1.00 0.78 C ATOM 546 C CYS A 38 13.169 0.128 -10.670 1.00 0.89 C ATOM 547 O CYS A 38 13.691 0.819 -11.524 1.00 0.88 O ATOM 548 CB CYS A 38 13.630 -2.322 -10.759 1.00 0.79 C ATOM 549 SG CYS A 38 13.667 -2.741 -8.999 1.00 1.06 S ATOM 0 H CYS A 38 12.834 -1.002 -13.110 1.00 0.73 H new ATOM 0 HA CYS A 38 11.711 -1.413 -10.362 1.00 0.78 H new ATOM 0 HB2 CYS A 38 13.400 -3.208 -11.350 1.00 0.79 H new ATOM 0 HB3 CYS A 38 14.610 -1.969 -11.081 1.00 0.79 H new ATOM 554 N VAL A 39 13.099 0.514 -9.426 1.00 1.04 N ATOM 555 CA VAL A 39 13.665 1.827 -9.010 1.00 1.18 C ATOM 556 C VAL A 39 14.875 1.572 -8.110 1.00 1.37 C ATOM 557 O VAL A 39 14.766 0.946 -7.073 1.00 1.26 O ATOM 558 CB VAL A 39 12.609 2.621 -8.237 1.00 1.18 C ATOM 559 CG1 VAL A 39 11.818 3.498 -9.210 1.00 1.26 C ATOM 560 CG2 VAL A 39 11.656 1.651 -7.537 1.00 1.26 C ATOM 0 H VAL A 39 12.671 -0.028 -8.675 1.00 1.04 H new ATOM 0 HA VAL A 39 13.966 2.398 -9.888 1.00 1.18 H new ATOM 0 HB VAL A 39 13.098 3.251 -7.494 1.00 1.18 H new ATOM 0 HG11 VAL A 39 11.066 4.064 -8.661 1.00 1.26 H new ATOM 0 HG12 VAL A 39 12.496 4.188 -9.712 1.00 1.26 H new ATOM 0 HG13 VAL A 39 11.328 2.868 -9.952 1.00 1.26 H new ATOM 0 HG21 VAL A 39 10.903 2.215 -6.986 1.00 1.26 H new ATOM 0 HG22 VAL A 39 11.166 1.022 -8.280 1.00 1.26 H new ATOM 0 HG23 VAL A 39 12.218 1.024 -6.845 1.00 1.26 H new ATOM 570 N ASP A 40 16.029 2.039 -8.502 1.00 1.71 N ATOM 571 CA ASP A 40 17.245 1.812 -7.671 1.00 1.97 C ATOM 572 C ASP A 40 17.238 2.776 -6.483 1.00 1.61 C ATOM 573 O ASP A 40 17.282 3.978 -6.647 1.00 2.31 O ATOM 574 CB ASP A 40 18.494 2.058 -8.520 1.00 3.21 C ATOM 575 CG ASP A 40 18.388 1.268 -9.825 1.00 4.09 C ATOM 576 OD1 ASP A 40 17.276 0.939 -10.207 1.00 4.79 O ATOM 577 OD2 ASP A 40 19.419 1.007 -10.422 1.00 4.39 O ATOM 0 H ASP A 40 16.182 2.567 -9.361 1.00 1.71 H new ATOM 0 HA ASP A 40 17.250 0.785 -7.305 1.00 1.97 H new ATOM 0 HB2 ASP A 40 18.597 3.122 -8.734 1.00 3.21 H new ATOM 0 HB3 ASP A 40 19.385 1.755 -7.971 1.00 3.21 H new ATOM 582 N LEU A 41 17.186 2.257 -5.286 1.00 1.25 N ATOM 583 CA LEU A 41 17.181 3.147 -4.093 1.00 1.86 C ATOM 584 C LEU A 41 18.463 2.928 -3.287 1.00 1.67 C ATOM 585 O LEU A 41 18.539 2.042 -2.458 1.00 1.20 O ATOM 586 CB LEU A 41 15.969 2.822 -3.215 1.00 2.45 C ATOM 587 CG LEU A 41 14.768 3.653 -3.668 1.00 2.88 C ATOM 588 CD1 LEU A 41 15.076 5.141 -3.491 1.00 2.65 C ATOM 589 CD2 LEU A 41 14.481 3.364 -5.143 1.00 3.54 C ATOM 0 H LEU A 41 17.147 1.258 -5.084 1.00 1.25 H new ATOM 0 HA LEU A 41 17.127 4.186 -4.418 1.00 1.86 H new ATOM 0 HB2 LEU A 41 15.734 1.760 -3.281 1.00 2.45 H new ATOM 0 HB3 LEU A 41 16.197 3.034 -2.170 1.00 2.45 H new ATOM 0 HG LEU A 41 13.897 3.391 -3.067 1.00 2.88 H new ATOM 0 HD11 LEU A 41 14.219 5.731 -3.815 1.00 2.65 H new ATOM 0 HD12 LEU A 41 15.283 5.347 -2.441 1.00 2.65 H new ATOM 0 HD13 LEU A 41 15.946 5.406 -4.091 1.00 2.65 H new ATOM 0 HD21 LEU A 41 13.625 3.955 -5.470 1.00 3.54 H new ATOM 0 HD22 LEU A 41 15.353 3.627 -5.742 1.00 3.54 H new ATOM 0 HD23 LEU A 41 14.260 2.304 -5.270 1.00 3.54 H new ATOM 601 N PRO A 42 19.462 3.732 -3.529 1.00 2.30 N ATOM 602 CA PRO A 42 20.765 3.647 -2.821 1.00 2.32 C ATOM 603 C PRO A 42 20.782 4.497 -1.548 1.00 1.85 C ATOM 604 O PRO A 42 21.252 4.072 -0.511 1.00 2.18 O ATOM 605 CB PRO A 42 21.742 4.208 -3.852 1.00 3.11 C ATOM 606 CG PRO A 42 20.952 5.197 -4.651 1.00 3.74 C ATOM 607 CD PRO A 42 19.470 4.819 -4.520 1.00 3.24 C ATOM 0 HA PRO A 42 20.999 2.635 -2.490 1.00 2.32 H new ATOM 0 HB2 PRO A 42 22.594 4.685 -3.367 1.00 3.11 H new ATOM 0 HB3 PRO A 42 22.139 3.417 -4.488 1.00 3.11 H new ATOM 0 HG2 PRO A 42 21.123 6.209 -4.285 1.00 3.74 H new ATOM 0 HG3 PRO A 42 21.261 5.179 -5.696 1.00 3.74 H new ATOM 0 HD2 PRO A 42 18.871 5.666 -4.187 1.00 3.24 H new ATOM 0 HD3 PRO A 42 19.057 4.492 -5.474 1.00 3.24 H new ATOM 615 N GLY A 43 20.273 5.696 -1.622 1.00 1.69 N ATOM 616 CA GLY A 43 20.257 6.580 -0.421 1.00 1.65 C ATOM 617 C GLY A 43 19.753 7.969 -0.819 1.00 1.62 C ATOM 618 O GLY A 43 20.071 8.473 -1.877 1.00 2.03 O ATOM 0 H GLY A 43 19.866 6.103 -2.464 1.00 1.69 H new ATOM 0 HA2 GLY A 43 19.613 6.154 0.349 1.00 1.65 H new ATOM 0 HA3 GLY A 43 21.258 6.652 0.004 1.00 1.65 H new ATOM 622 N GLY A 44 18.972 8.593 0.021 1.00 1.61 N ATOM 623 CA GLY A 44 18.456 9.950 -0.316 1.00 2.13 C ATOM 624 C GLY A 44 17.003 10.088 0.148 1.00 2.06 C ATOM 625 O GLY A 44 16.386 11.120 -0.023 1.00 2.41 O ATOM 0 H GLY A 44 18.670 8.223 0.922 1.00 1.61 H new ATOM 0 HA2 GLY A 44 19.073 10.711 0.161 1.00 2.13 H new ATOM 0 HA3 GLY A 44 18.520 10.116 -1.391 1.00 2.13 H new ATOM 629 N GLN A 45 16.449 9.059 0.730 1.00 1.86 N ATOM 630 CA GLN A 45 15.041 9.135 1.197 1.00 1.96 C ATOM 631 C GLN A 45 15.018 9.421 2.701 1.00 1.90 C ATOM 632 O GLN A 45 15.987 9.883 3.268 1.00 1.92 O ATOM 633 CB GLN A 45 14.365 7.793 0.921 1.00 2.10 C ATOM 634 CG GLN A 45 14.705 7.332 -0.498 1.00 2.29 C ATOM 635 CD GLN A 45 13.992 8.228 -1.512 1.00 2.34 C ATOM 636 OE1 GLN A 45 12.979 7.852 -2.066 1.00 2.96 O ATOM 637 NE2 GLN A 45 14.482 9.409 -1.780 1.00 2.07 N ATOM 0 H GLN A 45 16.915 8.168 0.901 1.00 1.86 H new ATOM 0 HA GLN A 45 14.514 9.933 0.674 1.00 1.96 H new ATOM 0 HB2 GLN A 45 14.698 7.050 1.646 1.00 2.10 H new ATOM 0 HB3 GLN A 45 13.285 7.888 1.035 1.00 2.10 H new ATOM 0 HG2 GLN A 45 15.783 7.372 -0.656 1.00 2.29 H new ATOM 0 HG3 GLN A 45 14.401 6.295 -0.637 1.00 2.29 H new ATOM 0 HE21 GLN A 45 15.333 9.726 -1.315 1.00 2.07 H new ATOM 0 HE22 GLN A 45 14.014 10.014 -2.454 1.00 2.07 H new ATOM 646 N GLY A 46 13.919 9.150 3.353 1.00 2.04 N ATOM 647 CA GLY A 46 13.844 9.409 4.819 1.00 2.08 C ATOM 648 C GLY A 46 12.403 9.240 5.303 1.00 2.01 C ATOM 649 O GLY A 46 12.123 8.448 6.180 1.00 2.08 O ATOM 0 H GLY A 46 13.073 8.762 2.935 1.00 2.04 H new ATOM 0 HA2 GLY A 46 14.499 8.721 5.353 1.00 2.08 H new ATOM 0 HA3 GLY A 46 14.195 10.418 5.038 1.00 2.08 H new ATOM 653 N ASN A 47 11.486 9.982 4.743 1.00 2.09 N ATOM 654 CA ASN A 47 10.067 9.866 5.177 1.00 2.14 C ATOM 655 C ASN A 47 9.297 8.990 4.185 1.00 1.80 C ATOM 656 O ASN A 47 9.623 8.930 3.016 1.00 1.63 O ATOM 657 CB ASN A 47 9.436 11.259 5.227 1.00 2.60 C ATOM 658 CG ASN A 47 9.027 11.689 3.817 1.00 2.84 C ATOM 659 OD1 ASN A 47 8.307 10.983 3.138 1.00 2.65 O ATOM 660 ND2 ASN A 47 9.458 12.826 3.344 1.00 3.61 N ATOM 0 H ASN A 47 11.660 10.663 4.004 1.00 2.09 H new ATOM 0 HA ASN A 47 10.025 9.412 6.167 1.00 2.14 H new ATOM 0 HB2 ASN A 47 8.565 11.251 5.883 1.00 2.60 H new ATOM 0 HB3 ASN A 47 10.144 11.975 5.645 1.00 2.60 H new ATOM 0 HD21 ASN A 47 9.191 13.122 2.405 1.00 3.61 H new ATOM 0 HD22 ASN A 47 10.062 13.419 3.913 1.00 3.61 H new ATOM 667 N PRO A 48 8.282 8.315 4.653 1.00 1.85 N ATOM 668 CA PRO A 48 7.444 7.425 3.805 1.00 1.74 C ATOM 669 C PRO A 48 7.170 8.026 2.424 1.00 1.36 C ATOM 670 O PRO A 48 7.448 7.420 1.408 1.00 1.19 O ATOM 671 CB PRO A 48 6.147 7.300 4.604 1.00 2.19 C ATOM 672 CG PRO A 48 6.544 7.478 6.034 1.00 2.36 C ATOM 673 CD PRO A 48 7.818 8.328 6.050 1.00 2.21 C ATOM 0 HA PRO A 48 7.931 6.471 3.605 1.00 1.74 H new ATOM 0 HB2 PRO A 48 5.424 8.056 4.300 1.00 2.19 H new ATOM 0 HB3 PRO A 48 5.679 6.329 4.444 1.00 2.19 H new ATOM 0 HG2 PRO A 48 5.748 7.967 6.596 1.00 2.36 H new ATOM 0 HG3 PRO A 48 6.720 6.512 6.507 1.00 2.36 H new ATOM 0 HD2 PRO A 48 7.615 9.343 6.392 1.00 2.21 H new ATOM 0 HD3 PRO A 48 8.567 7.909 6.722 1.00 2.21 H new ATOM 681 N TRP A 49 6.628 9.211 2.378 1.00 1.49 N ATOM 682 CA TRP A 49 6.341 9.848 1.062 1.00 1.39 C ATOM 683 C TRP A 49 7.656 10.248 0.392 1.00 1.17 C ATOM 684 O TRP A 49 7.803 11.349 -0.099 1.00 1.45 O ATOM 685 CB TRP A 49 5.477 11.092 1.276 1.00 1.79 C ATOM 686 CG TRP A 49 5.848 11.740 2.571 1.00 1.85 C ATOM 687 CD1 TRP A 49 6.691 12.789 2.701 1.00 1.69 C ATOM 688 CD2 TRP A 49 5.406 11.402 3.918 1.00 2.46 C ATOM 689 NE1 TRP A 49 6.795 13.118 4.040 1.00 1.97 N ATOM 690 CE2 TRP A 49 6.021 12.291 4.831 1.00 2.36 C ATOM 691 CE3 TRP A 49 4.539 10.420 4.431 1.00 3.27 C ATOM 692 CZ2 TRP A 49 5.785 12.209 6.205 1.00 2.90 C ATOM 693 CZ3 TRP A 49 4.299 10.335 5.811 1.00 3.87 C ATOM 694 CH2 TRP A 49 4.920 11.227 6.697 1.00 3.62 C ATOM 0 H TRP A 49 6.371 9.766 3.194 1.00 1.49 H new ATOM 0 HA TRP A 49 5.809 9.142 0.424 1.00 1.39 H new ATOM 0 HB2 TRP A 49 5.619 11.792 0.453 1.00 1.79 H new ATOM 0 HB3 TRP A 49 4.422 10.818 1.283 1.00 1.79 H new ATOM 0 HD1 TRP A 49 7.201 13.289 1.890 1.00 1.69 H new ATOM 0 HE1 TRP A 49 7.372 13.878 4.400 1.00 1.97 H new ATOM 0 HE3 TRP A 49 4.055 9.727 3.759 1.00 3.27 H new ATOM 0 HZ2 TRP A 49 6.267 12.899 6.882 1.00 2.90 H new ATOM 0 HZ3 TRP A 49 3.631 9.577 6.193 1.00 3.87 H new ATOM 0 HH2 TRP A 49 4.730 11.156 7.758 1.00 3.62 H new ATOM 705 N ASP A 50 8.616 9.363 0.369 1.00 1.07 N ATOM 706 CA ASP A 50 9.919 9.697 -0.270 1.00 1.36 C ATOM 707 C ASP A 50 10.149 8.788 -1.478 1.00 1.21 C ATOM 708 O ASP A 50 11.073 8.980 -2.243 1.00 1.27 O ATOM 709 CB ASP A 50 11.051 9.496 0.741 1.00 1.73 C ATOM 710 CG ASP A 50 11.042 10.644 1.752 1.00 2.02 C ATOM 711 OD1 ASP A 50 10.172 11.492 1.648 1.00 2.38 O ATOM 712 OD2 ASP A 50 11.905 10.655 2.613 1.00 2.14 O ATOM 0 H ASP A 50 8.553 8.425 0.765 1.00 1.07 H new ATOM 0 HA ASP A 50 9.903 10.736 -0.598 1.00 1.36 H new ATOM 0 HB2 ASP A 50 10.928 8.543 1.256 1.00 1.73 H new ATOM 0 HB3 ASP A 50 12.011 9.459 0.226 1.00 1.73 H new ATOM 717 N ALA A 51 9.317 7.798 -1.658 1.00 1.09 N ATOM 718 CA ALA A 51 9.494 6.882 -2.821 1.00 1.02 C ATOM 719 C ALA A 51 8.301 5.928 -2.908 1.00 0.89 C ATOM 720 O ALA A 51 8.067 5.134 -2.019 1.00 0.87 O ATOM 721 CB ALA A 51 10.780 6.072 -2.641 1.00 1.11 C ATOM 0 H ALA A 51 8.525 7.584 -1.052 1.00 1.09 H new ATOM 0 HA ALA A 51 9.557 7.469 -3.737 1.00 1.02 H new ATOM 0 HB1 ALA A 51 10.910 5.402 -3.491 1.00 1.11 H new ATOM 0 HB2 ALA A 51 11.631 6.750 -2.580 1.00 1.11 H new ATOM 0 HB3 ALA A 51 10.716 5.486 -1.724 1.00 1.11 H new ATOM 727 N GLY A 52 7.543 5.999 -3.968 1.00 0.86 N ATOM 728 CA GLY A 52 6.369 5.090 -4.098 1.00 0.86 C ATOM 729 C GLY A 52 5.557 5.451 -5.344 1.00 0.87 C ATOM 730 O GLY A 52 5.743 6.495 -5.939 1.00 0.94 O ATOM 0 H GLY A 52 7.685 6.643 -4.746 1.00 0.86 H new ATOM 0 HA2 GLY A 52 6.706 4.055 -4.162 1.00 0.86 H new ATOM 0 HA3 GLY A 52 5.741 5.166 -3.211 1.00 0.86 H new ATOM 734 N LEU A 53 4.654 4.594 -5.741 1.00 0.83 N ATOM 735 CA LEU A 53 3.823 4.882 -6.941 1.00 0.84 C ATOM 736 C LEU A 53 2.414 5.281 -6.500 1.00 0.79 C ATOM 737 O LEU A 53 2.160 5.507 -5.333 1.00 0.78 O ATOM 738 CB LEU A 53 3.742 3.640 -7.831 1.00 0.85 C ATOM 739 CG LEU A 53 4.871 2.670 -7.478 1.00 0.90 C ATOM 740 CD1 LEU A 53 4.688 1.373 -8.269 1.00 0.90 C ATOM 741 CD2 LEU A 53 6.217 3.303 -7.837 1.00 0.96 C ATOM 0 H LEU A 53 4.457 3.704 -5.282 1.00 0.83 H new ATOM 0 HA LEU A 53 4.278 5.697 -7.503 1.00 0.84 H new ATOM 0 HB2 LEU A 53 2.777 3.151 -7.700 1.00 0.85 H new ATOM 0 HB3 LEU A 53 3.814 3.928 -8.880 1.00 0.85 H new ATOM 0 HG LEU A 53 4.847 2.452 -6.410 1.00 0.90 H new ATOM 0 HD11 LEU A 53 5.491 0.679 -8.020 1.00 0.90 H new ATOM 0 HD12 LEU A 53 3.728 0.924 -8.014 1.00 0.90 H new ATOM 0 HD13 LEU A 53 4.715 1.591 -9.337 1.00 0.90 H new ATOM 0 HD21 LEU A 53 7.022 2.613 -7.586 1.00 0.96 H new ATOM 0 HD22 LEU A 53 6.244 3.519 -8.905 1.00 0.96 H new ATOM 0 HD23 LEU A 53 6.345 4.229 -7.276 1.00 0.96 H new ATOM 753 N VAL A 54 1.493 5.365 -7.422 1.00 0.79 N ATOM 754 CA VAL A 54 0.101 5.752 -7.048 1.00 0.78 C ATOM 755 C VAL A 54 -0.874 5.303 -8.141 1.00 0.80 C ATOM 756 O VAL A 54 -0.484 5.023 -9.258 1.00 0.90 O ATOM 757 CB VAL A 54 0.009 7.272 -6.884 1.00 0.89 C ATOM 758 CG1 VAL A 54 -0.712 7.604 -5.577 1.00 0.92 C ATOM 759 CG2 VAL A 54 1.413 7.884 -6.854 1.00 0.92 C ATOM 0 H VAL A 54 1.643 5.183 -8.414 1.00 0.79 H new ATOM 0 HA VAL A 54 -0.159 5.268 -6.106 1.00 0.78 H new ATOM 0 HB VAL A 54 -0.546 7.685 -7.727 1.00 0.89 H new ATOM 0 HG11 VAL A 54 -0.777 8.686 -5.462 1.00 0.92 H new ATOM 0 HG12 VAL A 54 -1.716 7.181 -5.598 1.00 0.92 H new ATOM 0 HG13 VAL A 54 -0.158 7.182 -4.738 1.00 0.92 H new ATOM 0 HG21 VAL A 54 1.336 8.965 -6.737 1.00 0.92 H new ATOM 0 HG22 VAL A 54 1.974 7.467 -6.017 1.00 0.92 H new ATOM 0 HG23 VAL A 54 1.929 7.656 -7.786 1.00 0.92 H new ATOM 769 N TYR A 55 -2.141 5.244 -7.828 1.00 0.78 N ATOM 770 CA TYR A 55 -3.147 4.823 -8.847 1.00 0.82 C ATOM 771 C TYR A 55 -4.550 4.917 -8.245 1.00 0.81 C ATOM 772 O TYR A 55 -4.766 4.592 -7.093 1.00 1.06 O ATOM 773 CB TYR A 55 -2.863 3.380 -9.282 1.00 0.83 C ATOM 774 CG TYR A 55 -3.677 3.027 -10.509 1.00 0.97 C ATOM 775 CD1 TYR A 55 -3.610 3.824 -11.660 1.00 1.54 C ATOM 776 CD2 TYR A 55 -4.493 1.886 -10.500 1.00 1.59 C ATOM 777 CE1 TYR A 55 -4.357 3.484 -12.794 1.00 1.71 C ATOM 778 CE2 TYR A 55 -5.240 1.546 -11.637 1.00 1.70 C ATOM 779 CZ TYR A 55 -5.171 2.347 -12.781 1.00 1.37 C ATOM 780 OH TYR A 55 -5.905 2.014 -13.900 1.00 1.61 O ATOM 0 H TYR A 55 -2.523 5.469 -6.910 1.00 0.78 H new ATOM 0 HA TYR A 55 -3.083 5.478 -9.716 1.00 0.82 H new ATOM 0 HB2 TYR A 55 -1.801 3.261 -9.496 1.00 0.83 H new ATOM 0 HB3 TYR A 55 -3.103 2.695 -8.469 1.00 0.83 H new ATOM 0 HD1 TYR A 55 -2.981 4.702 -11.672 1.00 1.54 H new ATOM 0 HD2 TYR A 55 -4.546 1.268 -9.616 1.00 1.59 H new ATOM 0 HE1 TYR A 55 -4.305 4.100 -13.679 1.00 1.71 H new ATOM 0 HE2 TYR A 55 -5.867 0.667 -11.629 1.00 1.70 H new ATOM 0 HH TYR A 55 -5.767 2.691 -14.595 1.00 1.61 H new ATOM 790 N ASN A 56 -5.504 5.366 -9.015 1.00 0.93 N ATOM 791 CA ASN A 56 -6.892 5.491 -8.495 1.00 1.01 C ATOM 792 C ASN A 56 -7.801 4.496 -9.222 1.00 1.28 C ATOM 793 O ASN A 56 -7.340 3.574 -9.865 1.00 2.04 O ATOM 794 CB ASN A 56 -7.391 6.914 -8.743 1.00 1.81 C ATOM 795 CG ASN A 56 -7.047 7.795 -7.540 1.00 2.22 C ATOM 796 OD1 ASN A 56 -7.824 8.644 -7.151 1.00 2.78 O ATOM 797 ND2 ASN A 56 -5.906 7.626 -6.928 1.00 2.47 N ATOM 0 H ASN A 56 -5.379 5.652 -9.986 1.00 0.93 H new ATOM 0 HA ASN A 56 -6.906 5.277 -7.426 1.00 1.01 H new ATOM 0 HB2 ASN A 56 -6.933 7.319 -9.646 1.00 1.81 H new ATOM 0 HB3 ASN A 56 -8.469 6.909 -8.907 1.00 1.81 H new ATOM 0 HD21 ASN A 56 -5.668 8.207 -6.124 1.00 2.47 H new ATOM 0 HD22 ASN A 56 -5.253 6.913 -7.254 1.00 2.47 H new ATOM 804 N GLY A 57 -9.090 4.678 -9.127 1.00 1.18 N ATOM 805 CA GLY A 57 -10.027 3.744 -9.813 1.00 1.77 C ATOM 806 C GLY A 57 -10.302 2.541 -8.909 1.00 1.64 C ATOM 807 O GLY A 57 -10.251 1.405 -9.340 1.00 2.48 O ATOM 0 H GLY A 57 -9.534 5.433 -8.604 1.00 1.18 H new ATOM 0 HA2 GLY A 57 -10.960 4.256 -10.049 1.00 1.77 H new ATOM 0 HA3 GLY A 57 -9.598 3.411 -10.758 1.00 1.77 H new ATOM 811 N VAL A 58 -10.593 2.779 -7.660 1.00 1.34 N ATOM 812 CA VAL A 58 -10.871 1.647 -6.732 1.00 1.99 C ATOM 813 C VAL A 58 -11.831 2.109 -5.636 1.00 1.78 C ATOM 814 O VAL A 58 -11.437 2.340 -4.510 1.00 1.95 O ATOM 815 CB VAL A 58 -9.561 1.176 -6.097 1.00 2.93 C ATOM 816 CG1 VAL A 58 -9.813 -0.099 -5.291 1.00 3.79 C ATOM 817 CG2 VAL A 58 -8.537 0.888 -7.197 1.00 2.88 C ATOM 0 H VAL A 58 -10.650 3.708 -7.242 1.00 1.34 H new ATOM 0 HA VAL A 58 -11.323 0.825 -7.287 1.00 1.99 H new ATOM 0 HB VAL A 58 -9.178 1.954 -5.436 1.00 2.93 H new ATOM 0 HG11 VAL A 58 -8.880 -0.434 -4.839 1.00 3.79 H new ATOM 0 HG12 VAL A 58 -10.543 0.104 -4.508 1.00 3.79 H new ATOM 0 HG13 VAL A 58 -10.196 -0.877 -5.951 1.00 3.79 H new ATOM 0 HG21 VAL A 58 -7.603 0.552 -6.746 1.00 2.88 H new ATOM 0 HG22 VAL A 58 -8.921 0.110 -7.857 1.00 2.88 H new ATOM 0 HG23 VAL A 58 -8.356 1.796 -7.773 1.00 2.88 H new ATOM 827 N PRO A 59 -13.087 2.239 -5.967 1.00 1.85 N ATOM 828 CA PRO A 59 -14.136 2.677 -5.005 1.00 1.84 C ATOM 829 C PRO A 59 -14.003 1.981 -3.648 1.00 1.90 C ATOM 830 O PRO A 59 -13.176 1.109 -3.466 1.00 2.05 O ATOM 831 CB PRO A 59 -15.441 2.273 -5.689 1.00 2.07 C ATOM 832 CG PRO A 59 -15.140 2.278 -7.153 1.00 2.39 C ATOM 833 CD PRO A 59 -13.646 1.979 -7.304 1.00 2.40 C ATOM 0 HA PRO A 59 -14.070 3.743 -4.787 1.00 1.84 H new ATOM 0 HB2 PRO A 59 -15.769 1.287 -5.359 1.00 2.07 H new ATOM 0 HB3 PRO A 59 -16.242 2.972 -5.450 1.00 2.07 H new ATOM 0 HG2 PRO A 59 -15.738 1.529 -7.672 1.00 2.39 H new ATOM 0 HG3 PRO A 59 -15.386 3.244 -7.594 1.00 2.39 H new ATOM 0 HD2 PRO A 59 -13.476 0.948 -7.613 1.00 2.40 H new ATOM 0 HD3 PRO A 59 -13.187 2.618 -8.058 1.00 2.40 H new ATOM 841 N VAL A 60 -14.807 2.359 -2.693 1.00 2.10 N ATOM 842 CA VAL A 60 -14.721 1.718 -1.351 1.00 2.46 C ATOM 843 C VAL A 60 -16.127 1.555 -0.769 1.00 2.53 C ATOM 844 O VAL A 60 -16.849 2.515 -0.585 1.00 2.50 O ATOM 845 CB VAL A 60 -13.882 2.594 -0.419 1.00 2.79 C ATOM 846 CG1 VAL A 60 -13.386 1.758 0.761 1.00 3.08 C ATOM 847 CG2 VAL A 60 -12.680 3.151 -1.188 1.00 2.93 C ATOM 0 H VAL A 60 -15.519 3.083 -2.784 1.00 2.10 H new ATOM 0 HA VAL A 60 -14.253 0.738 -1.448 1.00 2.46 H new ATOM 0 HB VAL A 60 -14.493 3.418 -0.049 1.00 2.79 H new ATOM 0 HG11 VAL A 60 -12.788 2.383 1.424 1.00 3.08 H new ATOM 0 HG12 VAL A 60 -14.240 1.360 1.309 1.00 3.08 H new ATOM 0 HG13 VAL A 60 -12.776 0.934 0.392 1.00 3.08 H new ATOM 0 HG21 VAL A 60 -12.081 3.775 -0.525 1.00 2.93 H new ATOM 0 HG22 VAL A 60 -12.071 2.326 -1.558 1.00 2.93 H new ATOM 0 HG23 VAL A 60 -13.031 3.748 -2.029 1.00 2.93 H new ATOM 857 N GLY A 61 -16.521 0.346 -0.476 1.00 2.83 N ATOM 858 CA GLY A 61 -17.878 0.119 0.097 1.00 3.05 C ATOM 859 C GLY A 61 -17.786 -0.913 1.223 1.00 2.72 C ATOM 860 O GLY A 61 -17.585 -2.087 0.985 1.00 2.61 O ATOM 0 H GLY A 61 -15.961 -0.496 -0.609 1.00 2.83 H new ATOM 0 HA2 GLY A 61 -18.285 1.055 0.479 1.00 3.05 H new ATOM 0 HA3 GLY A 61 -18.559 -0.232 -0.679 1.00 3.05 H new ATOM 864 N GLU A 62 -17.924 -0.484 2.448 1.00 3.03 N ATOM 865 CA GLU A 62 -17.836 -1.441 3.588 1.00 2.96 C ATOM 866 C GLU A 62 -18.602 -2.718 3.233 1.00 2.29 C ATOM 867 O GLU A 62 -19.280 -2.787 2.229 1.00 2.02 O ATOM 868 CB GLU A 62 -18.460 -0.805 4.834 1.00 4.03 C ATOM 869 CG GLU A 62 -17.918 -1.485 6.094 1.00 4.32 C ATOM 870 CD GLU A 62 -18.734 -2.747 6.384 1.00 5.32 C ATOM 871 OE1 GLU A 62 -19.767 -2.919 5.758 1.00 6.05 O ATOM 872 OE2 GLU A 62 -18.310 -3.522 7.226 1.00 5.54 O ATOM 0 H GLU A 62 -18.094 0.487 2.709 1.00 3.03 H new ATOM 0 HA GLU A 62 -16.791 -1.682 3.786 1.00 2.96 H new ATOM 0 HB2 GLU A 62 -18.235 0.261 4.860 1.00 4.03 H new ATOM 0 HB3 GLU A 62 -19.545 -0.901 4.797 1.00 4.03 H new ATOM 0 HG2 GLU A 62 -16.867 -1.742 5.958 1.00 4.32 H new ATOM 0 HG3 GLU A 62 -17.972 -0.801 6.941 1.00 4.32 H new ATOM 879 N GLY A 63 -18.500 -3.731 4.051 1.00 2.54 N ATOM 880 CA GLY A 63 -19.226 -4.999 3.757 1.00 2.46 C ATOM 881 C GLY A 63 -18.434 -5.812 2.732 1.00 2.21 C ATOM 882 O GLY A 63 -18.254 -7.005 2.875 1.00 2.29 O ATOM 0 H GLY A 63 -17.947 -3.735 4.908 1.00 2.54 H new ATOM 0 HA2 GLY A 63 -19.357 -5.576 4.672 1.00 2.46 H new ATOM 0 HA3 GLY A 63 -20.222 -4.780 3.372 1.00 2.46 H new ATOM 886 N GLU A 64 -17.957 -5.174 1.698 1.00 2.23 N ATOM 887 CA GLU A 64 -17.173 -5.906 0.666 1.00 2.27 C ATOM 888 C GLU A 64 -15.682 -5.678 0.916 1.00 2.19 C ATOM 889 O GLU A 64 -15.251 -4.574 1.182 1.00 2.81 O ATOM 890 CB GLU A 64 -17.547 -5.381 -0.721 1.00 2.70 C ATOM 891 CG GLU A 64 -18.714 -6.198 -1.279 1.00 3.18 C ATOM 892 CD GLU A 64 -18.948 -5.819 -2.744 1.00 3.59 C ATOM 893 OE1 GLU A 64 -19.139 -4.643 -3.008 1.00 3.92 O ATOM 894 OE2 GLU A 64 -18.932 -6.711 -3.575 1.00 4.03 O ATOM 0 H GLU A 64 -18.077 -4.176 1.524 1.00 2.23 H new ATOM 0 HA GLU A 64 -17.394 -6.972 0.720 1.00 2.27 H new ATOM 0 HB2 GLU A 64 -17.822 -4.328 -0.661 1.00 2.70 H new ATOM 0 HB3 GLU A 64 -16.689 -5.448 -1.390 1.00 2.70 H new ATOM 0 HG2 GLU A 64 -18.498 -7.263 -1.198 1.00 3.18 H new ATOM 0 HG3 GLU A 64 -19.615 -6.010 -0.695 1.00 3.18 H new ATOM 901 N SER A 65 -14.890 -6.712 0.841 1.00 1.71 N ATOM 902 CA SER A 65 -13.431 -6.545 1.083 1.00 1.83 C ATOM 903 C SER A 65 -12.690 -6.474 -0.253 1.00 1.49 C ATOM 904 O SER A 65 -13.096 -7.067 -1.233 1.00 1.87 O ATOM 905 CB SER A 65 -12.909 -7.731 1.895 1.00 2.37 C ATOM 906 OG SER A 65 -13.119 -7.481 3.278 1.00 2.91 O ATOM 0 H SER A 65 -15.190 -7.662 0.623 1.00 1.71 H new ATOM 0 HA SER A 65 -13.262 -5.622 1.637 1.00 1.83 H new ATOM 0 HB2 SER A 65 -13.422 -8.645 1.597 1.00 2.37 H new ATOM 0 HB3 SER A 65 -11.848 -7.883 1.698 1.00 2.37 H new ATOM 0 HG SER A 65 -12.469 -6.819 3.593 1.00 2.91 H new ATOM 912 N TYR A 66 -11.607 -5.748 -0.301 1.00 1.14 N ATOM 913 CA TYR A 66 -10.841 -5.632 -1.569 1.00 1.22 C ATOM 914 C TYR A 66 -9.534 -6.421 -1.453 1.00 1.63 C ATOM 915 O TYR A 66 -9.232 -6.989 -0.422 1.00 2.01 O ATOM 916 CB TYR A 66 -10.523 -4.159 -1.820 1.00 1.29 C ATOM 917 CG TYR A 66 -11.762 -3.450 -2.310 1.00 1.20 C ATOM 918 CD1 TYR A 66 -12.146 -3.556 -3.653 1.00 1.47 C ATOM 919 CD2 TYR A 66 -12.528 -2.686 -1.422 1.00 1.79 C ATOM 920 CE1 TYR A 66 -13.296 -2.898 -4.106 1.00 1.86 C ATOM 921 CE2 TYR A 66 -13.678 -2.029 -1.875 1.00 1.98 C ATOM 922 CZ TYR A 66 -14.061 -2.135 -3.217 1.00 1.87 C ATOM 923 OH TYR A 66 -15.195 -1.486 -3.665 1.00 2.38 O ATOM 0 H TYR A 66 -11.220 -5.229 0.487 1.00 1.14 H new ATOM 0 HA TYR A 66 -11.430 -6.032 -2.394 1.00 1.22 H new ATOM 0 HB2 TYR A 66 -10.164 -3.693 -0.903 1.00 1.29 H new ATOM 0 HB3 TYR A 66 -9.725 -4.069 -2.557 1.00 1.29 H new ATOM 0 HD1 TYR A 66 -11.555 -4.145 -4.339 1.00 1.47 H new ATOM 0 HD2 TYR A 66 -12.232 -2.603 -0.387 1.00 1.79 H new ATOM 0 HE1 TYR A 66 -13.592 -2.979 -5.141 1.00 1.86 H new ATOM 0 HE2 TYR A 66 -14.269 -1.441 -1.189 1.00 1.98 H new ATOM 0 HH TYR A 66 -15.610 -1.002 -2.921 1.00 2.38 H new ATOM 933 N VAL A 67 -8.759 -6.455 -2.502 1.00 1.69 N ATOM 934 CA VAL A 67 -7.470 -7.204 -2.460 1.00 2.07 C ATOM 935 C VAL A 67 -6.473 -6.558 -3.425 1.00 2.20 C ATOM 936 O VAL A 67 -6.847 -5.826 -4.319 1.00 2.22 O ATOM 937 CB VAL A 67 -7.710 -8.657 -2.872 1.00 2.37 C ATOM 938 CG1 VAL A 67 -6.545 -9.525 -2.390 1.00 2.61 C ATOM 939 CG2 VAL A 67 -9.011 -9.157 -2.241 1.00 2.54 C ATOM 0 H VAL A 67 -8.963 -5.995 -3.389 1.00 1.69 H new ATOM 0 HA VAL A 67 -7.067 -7.176 -1.448 1.00 2.07 H new ATOM 0 HB VAL A 67 -7.784 -8.718 -3.958 1.00 2.37 H new ATOM 0 HG11 VAL A 67 -6.717 -10.560 -2.684 1.00 2.61 H new ATOM 0 HG12 VAL A 67 -5.617 -9.170 -2.838 1.00 2.61 H new ATOM 0 HG13 VAL A 67 -6.470 -9.464 -1.304 1.00 2.61 H new ATOM 0 HG21 VAL A 67 -9.183 -10.193 -2.534 1.00 2.54 H new ATOM 0 HG22 VAL A 67 -8.936 -9.095 -1.155 1.00 2.54 H new ATOM 0 HG23 VAL A 67 -9.842 -8.540 -2.583 1.00 2.54 H new ATOM 949 N LEU A 68 -5.204 -6.820 -3.252 1.00 2.36 N ATOM 950 CA LEU A 68 -4.188 -6.215 -4.161 1.00 2.59 C ATOM 951 C LEU A 68 -3.059 -7.218 -4.412 1.00 2.17 C ATOM 952 O LEU A 68 -2.319 -7.571 -3.515 1.00 2.07 O ATOM 953 CB LEU A 68 -3.615 -4.954 -3.508 1.00 3.01 C ATOM 954 CG LEU A 68 -3.198 -3.946 -4.584 1.00 3.40 C ATOM 955 CD1 LEU A 68 -4.414 -3.559 -5.426 1.00 3.46 C ATOM 956 CD2 LEU A 68 -2.633 -2.693 -3.910 1.00 3.61 C ATOM 0 H LEU A 68 -4.828 -7.425 -2.522 1.00 2.36 H new ATOM 0 HA LEU A 68 -4.657 -5.957 -5.111 1.00 2.59 H new ATOM 0 HB2 LEU A 68 -4.359 -4.507 -2.849 1.00 3.01 H new ATOM 0 HB3 LEU A 68 -2.756 -5.214 -2.890 1.00 3.01 H new ATOM 0 HG LEU A 68 -2.440 -4.395 -5.226 1.00 3.40 H new ATOM 0 HD11 LEU A 68 -4.114 -2.842 -6.190 1.00 3.46 H new ATOM 0 HD12 LEU A 68 -4.824 -4.449 -5.904 1.00 3.46 H new ATOM 0 HD13 LEU A 68 -5.172 -3.110 -4.785 1.00 3.46 H new ATOM 0 HD21 LEU A 68 -2.335 -1.973 -4.672 1.00 3.61 H new ATOM 0 HD22 LEU A 68 -3.395 -2.249 -3.270 1.00 3.61 H new ATOM 0 HD23 LEU A 68 -1.766 -2.964 -3.308 1.00 3.61 H new ATOM 968 N SER A 69 -2.915 -7.677 -5.628 1.00 1.98 N ATOM 969 CA SER A 69 -1.830 -8.652 -5.937 1.00 1.66 C ATOM 970 C SER A 69 -0.766 -7.954 -6.784 1.00 1.53 C ATOM 971 O SER A 69 -0.774 -8.031 -7.997 1.00 1.60 O ATOM 972 CB SER A 69 -2.415 -9.834 -6.710 1.00 1.82 C ATOM 973 OG SER A 69 -3.326 -9.354 -7.688 1.00 2.27 O ATOM 0 H SER A 69 -3.503 -7.418 -6.420 1.00 1.98 H new ATOM 0 HA SER A 69 -1.381 -9.017 -5.013 1.00 1.66 H new ATOM 0 HB2 SER A 69 -1.616 -10.401 -7.188 1.00 1.82 H new ATOM 0 HB3 SER A 69 -2.923 -10.514 -6.026 1.00 1.82 H new ATOM 0 HG SER A 69 -3.153 -8.404 -7.858 1.00 2.27 H new ATOM 979 N PHE A 70 0.142 -7.255 -6.155 1.00 1.38 N ATOM 980 CA PHE A 70 1.192 -6.537 -6.934 1.00 1.30 C ATOM 981 C PHE A 70 2.457 -7.384 -7.073 1.00 1.23 C ATOM 982 O PHE A 70 2.962 -7.928 -6.112 1.00 1.40 O ATOM 983 CB PHE A 70 1.536 -5.206 -6.262 1.00 1.34 C ATOM 984 CG PHE A 70 2.067 -5.444 -4.869 1.00 1.31 C ATOM 985 CD1 PHE A 70 3.382 -5.887 -4.688 1.00 1.23 C ATOM 986 CD2 PHE A 70 1.249 -5.207 -3.759 1.00 1.96 C ATOM 987 CE1 PHE A 70 3.879 -6.095 -3.396 1.00 1.35 C ATOM 988 CE2 PHE A 70 1.744 -5.415 -2.467 1.00 2.01 C ATOM 989 CZ PHE A 70 3.060 -5.858 -2.285 1.00 1.48 C ATOM 0 H PHE A 70 0.202 -7.151 -5.142 1.00 1.38 H new ATOM 0 HA PHE A 70 0.793 -6.347 -7.931 1.00 1.30 H new ATOM 0 HB2 PHE A 70 2.279 -4.673 -6.855 1.00 1.34 H new ATOM 0 HB3 PHE A 70 0.649 -4.574 -6.217 1.00 1.34 H new ATOM 0 HD1 PHE A 70 4.013 -6.068 -5.545 1.00 1.23 H new ATOM 0 HD2 PHE A 70 0.235 -4.863 -3.900 1.00 1.96 H new ATOM 0 HE1 PHE A 70 4.893 -6.438 -3.256 1.00 1.35 H new ATOM 0 HE2 PHE A 70 1.112 -5.234 -1.610 1.00 2.01 H new ATOM 0 HZ PHE A 70 3.443 -6.017 -1.288 1.00 1.48 H new ATOM 999 N THR A 71 2.989 -7.469 -8.264 1.00 1.13 N ATOM 1000 CA THR A 71 4.242 -8.247 -8.473 1.00 1.16 C ATOM 1001 C THR A 71 5.430 -7.353 -8.123 1.00 1.11 C ATOM 1002 O THR A 71 5.849 -6.536 -8.919 1.00 1.39 O ATOM 1003 CB THR A 71 4.351 -8.660 -9.944 1.00 1.26 C ATOM 1004 OG1 THR A 71 3.709 -7.684 -10.750 1.00 1.15 O ATOM 1005 CG2 THR A 71 3.688 -10.021 -10.164 1.00 1.80 C ATOM 0 H THR A 71 2.607 -7.031 -9.102 1.00 1.13 H new ATOM 0 HA THR A 71 4.234 -9.138 -7.845 1.00 1.16 H new ATOM 0 HB THR A 71 5.404 -8.734 -10.217 1.00 1.26 H new ATOM 0 HG1 THR A 71 3.765 -6.809 -10.312 1.00 1.15 H new ATOM 0 HG21 THR A 71 3.773 -10.302 -11.214 1.00 1.80 H new ATOM 0 HG22 THR A 71 4.183 -10.771 -9.547 1.00 1.80 H new ATOM 0 HG23 THR A 71 2.635 -9.962 -9.889 1.00 1.80 H new ATOM 1013 N ALA A 72 5.973 -7.483 -6.945 1.00 0.96 N ATOM 1014 CA ALA A 72 7.125 -6.617 -6.572 1.00 0.87 C ATOM 1015 C ALA A 72 8.102 -7.394 -5.689 1.00 0.81 C ATOM 1016 O ALA A 72 7.726 -8.302 -4.974 1.00 0.85 O ATOM 1017 CB ALA A 72 6.616 -5.393 -5.808 1.00 0.81 C ATOM 0 H ALA A 72 5.672 -8.145 -6.230 1.00 0.96 H new ATOM 0 HA ALA A 72 7.638 -6.299 -7.479 1.00 0.87 H new ATOM 0 HB1 ALA A 72 7.459 -4.758 -5.534 1.00 0.81 H new ATOM 0 HB2 ALA A 72 5.928 -4.830 -6.439 1.00 0.81 H new ATOM 0 HB3 ALA A 72 6.098 -5.717 -4.905 1.00 0.81 H new ATOM 1023 N SER A 73 9.355 -7.036 -5.733 1.00 0.75 N ATOM 1024 CA SER A 73 10.366 -7.738 -4.897 1.00 0.72 C ATOM 1025 C SER A 73 11.241 -6.699 -4.194 1.00 0.64 C ATOM 1026 O SER A 73 11.867 -5.871 -4.827 1.00 0.84 O ATOM 1027 CB SER A 73 11.239 -8.624 -5.786 1.00 0.82 C ATOM 1028 OG SER A 73 12.013 -7.804 -6.651 1.00 0.93 O ATOM 0 H SER A 73 9.723 -6.284 -6.315 1.00 0.75 H new ATOM 0 HA SER A 73 9.863 -8.358 -4.155 1.00 0.72 H new ATOM 0 HB2 SER A 73 11.893 -9.243 -5.172 1.00 0.82 H new ATOM 0 HB3 SER A 73 10.615 -9.301 -6.370 1.00 0.82 H new ATOM 0 HG SER A 73 12.019 -6.885 -6.311 1.00 0.93 H new ATOM 1034 N ALA A 74 11.283 -6.731 -2.891 1.00 0.66 N ATOM 1035 CA ALA A 74 12.112 -5.741 -2.148 1.00 0.59 C ATOM 1036 C ALA A 74 13.561 -6.227 -2.093 1.00 0.61 C ATOM 1037 O ALA A 74 13.831 -7.372 -1.787 1.00 0.67 O ATOM 1038 CB ALA A 74 11.572 -5.588 -0.725 1.00 0.59 C ATOM 0 H ALA A 74 10.779 -7.400 -2.309 1.00 0.66 H new ATOM 0 HA ALA A 74 12.071 -4.779 -2.658 1.00 0.59 H new ATOM 0 HB1 ALA A 74 12.179 -4.864 -0.182 1.00 0.59 H new ATOM 0 HB2 ALA A 74 10.539 -5.241 -0.763 1.00 0.59 H new ATOM 0 HB3 ALA A 74 11.613 -6.550 -0.215 1.00 0.59 H new ATOM 1044 N THR A 75 14.495 -5.366 -2.389 1.00 0.62 N ATOM 1045 CA THR A 75 15.925 -5.770 -2.359 1.00 0.72 C ATOM 1046 C THR A 75 16.730 -4.725 -1.571 1.00 0.72 C ATOM 1047 O THR A 75 16.805 -3.581 -1.974 1.00 0.74 O ATOM 1048 CB THR A 75 16.447 -5.829 -3.793 1.00 0.85 C ATOM 1049 OG1 THR A 75 15.730 -4.899 -4.593 1.00 0.86 O ATOM 1050 CG2 THR A 75 16.257 -7.238 -4.355 1.00 0.97 C ATOM 0 H THR A 75 14.326 -4.395 -2.652 1.00 0.62 H new ATOM 0 HA THR A 75 16.028 -6.745 -1.883 1.00 0.72 H new ATOM 0 HB THR A 75 17.508 -5.579 -3.802 1.00 0.85 H new ATOM 0 HG1 THR A 75 15.886 -5.094 -5.541 1.00 0.86 H new ATOM 0 HG21 THR A 75 16.631 -7.275 -5.378 1.00 0.97 H new ATOM 0 HG22 THR A 75 16.807 -7.952 -3.742 1.00 0.97 H new ATOM 0 HG23 THR A 75 15.197 -7.493 -4.346 1.00 0.97 H new ATOM 1058 N PRO A 76 17.333 -5.094 -0.465 1.00 0.77 N ATOM 1059 CA PRO A 76 17.288 -6.481 0.097 1.00 0.83 C ATOM 1060 C PRO A 76 15.883 -6.873 0.559 1.00 0.73 C ATOM 1061 O PRO A 76 14.893 -6.521 -0.049 1.00 0.68 O ATOM 1062 CB PRO A 76 18.236 -6.430 1.304 1.00 0.97 C ATOM 1063 CG PRO A 76 19.021 -5.168 1.164 1.00 1.02 C ATOM 1064 CD PRO A 76 18.141 -4.203 0.376 1.00 0.85 C ATOM 0 HA PRO A 76 17.573 -7.220 -0.652 1.00 0.83 H new ATOM 0 HB2 PRO A 76 17.676 -6.438 2.239 1.00 0.97 H new ATOM 0 HB3 PRO A 76 18.895 -7.298 1.319 1.00 0.97 H new ATOM 0 HG2 PRO A 76 19.272 -4.756 2.141 1.00 1.02 H new ATOM 0 HG3 PRO A 76 19.961 -5.350 0.644 1.00 1.02 H new ATOM 0 HD2 PRO A 76 17.518 -3.597 1.034 1.00 0.85 H new ATOM 0 HD3 PRO A 76 18.736 -3.514 -0.223 1.00 0.85 H new ATOM 1072 N ASP A 77 15.790 -7.593 1.641 1.00 0.81 N ATOM 1073 CA ASP A 77 14.451 -8.005 2.148 1.00 0.76 C ATOM 1074 C ASP A 77 13.999 -7.029 3.236 1.00 0.72 C ATOM 1075 O ASP A 77 14.803 -6.483 3.963 1.00 0.78 O ATOM 1076 CB ASP A 77 14.532 -9.414 2.736 1.00 0.91 C ATOM 1077 CG ASP A 77 15.623 -10.207 2.014 1.00 1.09 C ATOM 1078 OD1 ASP A 77 15.328 -10.773 0.975 1.00 1.75 O ATOM 1079 OD2 ASP A 77 16.737 -10.234 2.512 1.00 1.30 O ATOM 0 H ASP A 77 16.583 -7.914 2.197 1.00 0.81 H new ATOM 0 HA ASP A 77 13.736 -7.997 1.325 1.00 0.76 H new ATOM 0 HB2 ASP A 77 14.751 -9.362 3.803 1.00 0.91 H new ATOM 0 HB3 ASP A 77 13.572 -9.919 2.632 1.00 0.91 H new ATOM 1084 N MET A 78 12.717 -6.812 3.349 1.00 0.75 N ATOM 1085 CA MET A 78 12.195 -5.873 4.385 1.00 0.87 C ATOM 1086 C MET A 78 10.719 -5.585 4.108 1.00 0.89 C ATOM 1087 O MET A 78 10.267 -5.650 2.982 1.00 0.93 O ATOM 1088 CB MET A 78 12.977 -4.555 4.346 1.00 1.01 C ATOM 1089 CG MET A 78 13.179 -4.104 2.897 1.00 1.19 C ATOM 1090 SD MET A 78 14.902 -3.608 2.656 1.00 1.83 S ATOM 1091 CE MET A 78 14.715 -1.889 3.190 1.00 2.16 C ATOM 0 H MET A 78 12.003 -7.247 2.765 1.00 0.75 H new ATOM 0 HA MET A 78 12.310 -6.330 5.368 1.00 0.87 H new ATOM 0 HB2 MET A 78 12.439 -3.787 4.902 1.00 1.01 H new ATOM 0 HB3 MET A 78 13.944 -4.682 4.833 1.00 1.01 H new ATOM 0 HG2 MET A 78 12.923 -4.914 2.214 1.00 1.19 H new ATOM 0 HG3 MET A 78 12.514 -3.271 2.668 1.00 1.19 H new ATOM 0 HE1 MET A 78 15.689 -1.400 3.190 1.00 2.16 H new ATOM 0 HE2 MET A 78 14.046 -1.366 2.506 1.00 2.16 H new ATOM 0 HE3 MET A 78 14.297 -1.864 4.196 1.00 2.16 H new ATOM 1101 N PRO A 79 9.973 -5.260 5.131 1.00 0.96 N ATOM 1102 CA PRO A 79 8.523 -4.946 5.002 1.00 1.04 C ATOM 1103 C PRO A 79 8.288 -3.563 4.389 1.00 1.13 C ATOM 1104 O PRO A 79 8.679 -2.554 4.941 1.00 1.28 O ATOM 1105 CB PRO A 79 8.015 -4.982 6.443 1.00 1.12 C ATOM 1106 CG PRO A 79 9.203 -4.668 7.290 1.00 1.38 C ATOM 1107 CD PRO A 79 10.434 -5.163 6.526 1.00 1.11 C ATOM 0 HA PRO A 79 8.012 -5.647 4.343 1.00 1.04 H new ATOM 0 HB2 PRO A 79 7.219 -4.254 6.597 1.00 1.12 H new ATOM 0 HB3 PRO A 79 7.604 -5.961 6.690 1.00 1.12 H new ATOM 0 HG2 PRO A 79 9.270 -3.597 7.479 1.00 1.38 H new ATOM 0 HG3 PRO A 79 9.127 -5.159 8.260 1.00 1.38 H new ATOM 0 HD2 PRO A 79 11.269 -4.469 6.623 1.00 1.11 H new ATOM 0 HD3 PRO A 79 10.775 -6.128 6.901 1.00 1.11 H new ATOM 1115 N VAL A 80 7.653 -3.508 3.250 1.00 1.13 N ATOM 1116 CA VAL A 80 7.397 -2.190 2.605 1.00 1.31 C ATOM 1117 C VAL A 80 6.191 -1.524 3.269 1.00 1.45 C ATOM 1118 O VAL A 80 5.503 -2.121 4.072 1.00 1.98 O ATOM 1119 CB VAL A 80 7.113 -2.394 1.115 1.00 1.56 C ATOM 1120 CG1 VAL A 80 8.303 -3.095 0.460 1.00 2.01 C ATOM 1121 CG2 VAL A 80 5.858 -3.254 0.948 1.00 1.79 C ATOM 0 H VAL A 80 7.301 -4.318 2.739 1.00 1.13 H new ATOM 0 HA VAL A 80 8.274 -1.553 2.721 1.00 1.31 H new ATOM 0 HB VAL A 80 6.956 -1.426 0.639 1.00 1.56 H new ATOM 0 HG11 VAL A 80 8.101 -3.240 -0.601 1.00 2.01 H new ATOM 0 HG12 VAL A 80 9.197 -2.482 0.578 1.00 2.01 H new ATOM 0 HG13 VAL A 80 8.461 -4.063 0.935 1.00 2.01 H new ATOM 0 HG21 VAL A 80 5.655 -3.400 -0.113 1.00 1.79 H new ATOM 0 HG22 VAL A 80 6.014 -4.222 1.424 1.00 1.79 H new ATOM 0 HG23 VAL A 80 5.009 -2.754 1.414 1.00 1.79 H new ATOM 1131 N ARG A 81 5.931 -0.288 2.940 1.00 1.48 N ATOM 1132 CA ARG A 81 4.771 0.418 3.554 1.00 1.84 C ATOM 1133 C ARG A 81 3.734 0.733 2.474 1.00 2.04 C ATOM 1134 O ARG A 81 3.769 1.777 1.851 1.00 2.57 O ATOM 1135 CB ARG A 81 5.250 1.721 4.197 1.00 2.24 C ATOM 1136 CG ARG A 81 4.039 2.546 4.639 1.00 2.95 C ATOM 1137 CD ARG A 81 4.431 3.435 5.821 1.00 4.04 C ATOM 1138 NE ARG A 81 5.086 2.605 6.871 1.00 4.81 N ATOM 1139 CZ ARG A 81 5.763 3.178 7.828 1.00 5.14 C ATOM 1140 NH1 ARG A 81 5.867 4.478 7.866 1.00 4.94 N ATOM 1141 NH2 ARG A 81 6.337 2.451 8.747 1.00 6.01 N ATOM 0 H ARG A 81 6.471 0.263 2.273 1.00 1.48 H new ATOM 0 HA ARG A 81 4.320 -0.219 4.315 1.00 1.84 H new ATOM 0 HB2 ARG A 81 5.888 1.503 5.054 1.00 2.24 H new ATOM 0 HB3 ARG A 81 5.852 2.289 3.488 1.00 2.24 H new ATOM 0 HG2 ARG A 81 3.682 3.159 3.812 1.00 2.95 H new ATOM 0 HG3 ARG A 81 3.220 1.886 4.923 1.00 2.95 H new ATOM 0 HD2 ARG A 81 5.108 4.222 5.489 1.00 4.04 H new ATOM 0 HD3 ARG A 81 3.548 3.926 6.229 1.00 4.04 H new ATOM 0 HE ARG A 81 5.005 1.589 6.842 1.00 4.81 H new ATOM 0 HH11 ARG A 81 5.419 5.047 7.147 1.00 4.94 H new ATOM 0 HH12 ARG A 81 6.396 4.926 8.614 1.00 4.94 H new ATOM 0 HH21 ARG A 81 6.257 1.435 8.717 1.00 6.01 H new ATOM 0 HH22 ARG A 81 6.866 2.899 9.495 1.00 6.01 H new ATOM 1155 N VAL A 82 2.808 -0.157 2.250 1.00 2.00 N ATOM 1156 CA VAL A 82 1.769 0.094 1.215 1.00 2.41 C ATOM 1157 C VAL A 82 0.492 0.583 1.900 1.00 1.99 C ATOM 1158 O VAL A 82 0.250 0.300 3.057 1.00 1.85 O ATOM 1159 CB VAL A 82 1.481 -1.202 0.456 1.00 3.05 C ATOM 1160 CG1 VAL A 82 2.411 -1.303 -0.755 1.00 3.76 C ATOM 1161 CG2 VAL A 82 1.717 -2.398 1.379 1.00 3.57 C ATOM 0 H VAL A 82 2.726 -1.048 2.740 1.00 2.00 H new ATOM 0 HA VAL A 82 2.122 0.850 0.513 1.00 2.41 H new ATOM 0 HB VAL A 82 0.444 -1.201 0.119 1.00 3.05 H new ATOM 0 HG11 VAL A 82 2.205 -2.227 -1.296 1.00 3.76 H new ATOM 0 HG12 VAL A 82 2.243 -0.452 -1.415 1.00 3.76 H new ATOM 0 HG13 VAL A 82 3.448 -1.303 -0.419 1.00 3.76 H new ATOM 0 HG21 VAL A 82 1.512 -3.321 0.838 1.00 3.57 H new ATOM 0 HG22 VAL A 82 2.753 -2.398 1.717 1.00 3.57 H new ATOM 0 HG23 VAL A 82 1.054 -2.328 2.242 1.00 3.57 H new ATOM 1171 N LEU A 83 -0.326 1.322 1.202 1.00 2.02 N ATOM 1172 CA LEU A 83 -1.579 1.829 1.829 1.00 1.82 C ATOM 1173 C LEU A 83 -2.637 2.088 0.754 1.00 1.64 C ATOM 1174 O LEU A 83 -2.337 2.187 -0.419 1.00 1.78 O ATOM 1175 CB LEU A 83 -1.283 3.132 2.574 1.00 2.29 C ATOM 1176 CG LEU A 83 -0.675 4.148 1.604 1.00 1.71 C ATOM 1177 CD1 LEU A 83 -1.197 5.548 1.938 1.00 1.99 C ATOM 1178 CD2 LEU A 83 0.848 4.128 1.735 1.00 1.42 C ATOM 0 H LEU A 83 -0.182 1.595 0.230 1.00 2.02 H new ATOM 0 HA LEU A 83 -1.956 1.082 2.527 1.00 1.82 H new ATOM 0 HB2 LEU A 83 -2.200 3.531 3.008 1.00 2.29 H new ATOM 0 HB3 LEU A 83 -0.595 2.944 3.398 1.00 2.29 H new ATOM 0 HG LEU A 83 -0.956 3.889 0.583 1.00 1.71 H new ATOM 0 HD11 LEU A 83 -0.764 6.272 1.248 1.00 1.99 H new ATOM 0 HD12 LEU A 83 -2.283 5.563 1.846 1.00 1.99 H new ATOM 0 HD13 LEU A 83 -0.916 5.807 2.959 1.00 1.99 H new ATOM 0 HD21 LEU A 83 1.282 4.851 1.045 1.00 1.42 H new ATOM 0 HD22 LEU A 83 1.129 4.387 2.756 1.00 1.42 H new ATOM 0 HD23 LEU A 83 1.221 3.131 1.498 1.00 1.42 H new ATOM 1190 N VAL A 84 -3.875 2.203 1.153 1.00 1.54 N ATOM 1191 CA VAL A 84 -4.961 2.458 0.164 1.00 1.53 C ATOM 1192 C VAL A 84 -6.119 3.180 0.857 1.00 1.46 C ATOM 1193 O VAL A 84 -6.251 3.143 2.064 1.00 1.51 O ATOM 1194 CB VAL A 84 -5.467 1.129 -0.400 1.00 1.58 C ATOM 1195 CG1 VAL A 84 -5.959 1.338 -1.833 1.00 1.89 C ATOM 1196 CG2 VAL A 84 -4.331 0.104 -0.397 1.00 1.84 C ATOM 0 H VAL A 84 -4.181 2.131 2.123 1.00 1.54 H new ATOM 0 HA VAL A 84 -4.572 3.074 -0.647 1.00 1.53 H new ATOM 0 HB VAL A 84 -6.287 0.763 0.218 1.00 1.58 H new ATOM 0 HG11 VAL A 84 -6.320 0.391 -2.236 1.00 1.89 H new ATOM 0 HG12 VAL A 84 -6.770 2.066 -1.837 1.00 1.89 H new ATOM 0 HG13 VAL A 84 -5.139 1.705 -2.449 1.00 1.89 H new ATOM 0 HG21 VAL A 84 -4.693 -0.842 -0.799 1.00 1.84 H new ATOM 0 HG22 VAL A 84 -3.510 0.469 -1.013 1.00 1.84 H new ATOM 0 HG23 VAL A 84 -3.979 -0.047 0.624 1.00 1.84 H new ATOM 1206 N GLY A 85 -6.964 3.830 0.104 1.00 1.45 N ATOM 1207 CA GLY A 85 -8.113 4.547 0.724 1.00 1.49 C ATOM 1208 C GLY A 85 -8.683 5.562 -0.269 1.00 1.17 C ATOM 1209 O GLY A 85 -8.708 5.332 -1.462 1.00 1.15 O ATOM 0 H GLY A 85 -6.908 3.895 -0.912 1.00 1.45 H new ATOM 0 HA2 GLY A 85 -8.885 3.834 1.014 1.00 1.49 H new ATOM 0 HA3 GLY A 85 -7.790 5.055 1.633 1.00 1.49 H new ATOM 1213 N GLU A 86 -9.144 6.683 0.215 1.00 1.14 N ATOM 1214 CA GLU A 86 -9.714 7.712 -0.698 1.00 1.19 C ATOM 1215 C GLU A 86 -8.604 8.665 -1.148 1.00 1.21 C ATOM 1216 O GLU A 86 -7.547 8.726 -0.553 1.00 1.63 O ATOM 1217 CB GLU A 86 -10.797 8.504 0.038 1.00 1.44 C ATOM 1218 CG GLU A 86 -10.141 9.493 1.004 1.00 1.42 C ATOM 1219 CD GLU A 86 -10.981 9.596 2.278 1.00 1.91 C ATOM 1220 OE1 GLU A 86 -10.841 8.732 3.127 1.00 2.54 O ATOM 1221 OE2 GLU A 86 -11.749 10.538 2.383 1.00 2.03 O ATOM 0 H GLU A 86 -9.150 6.930 1.205 1.00 1.14 H new ATOM 0 HA GLU A 86 -10.150 7.223 -1.569 1.00 1.19 H new ATOM 0 HB2 GLU A 86 -11.421 9.039 -0.678 1.00 1.44 H new ATOM 0 HB3 GLU A 86 -11.450 7.824 0.585 1.00 1.44 H new ATOM 0 HG2 GLU A 86 -9.131 9.164 1.248 1.00 1.42 H new ATOM 0 HG3 GLU A 86 -10.053 10.472 0.534 1.00 1.42 H new ATOM 1228 N GLY A 87 -8.837 9.409 -2.194 1.00 1.18 N ATOM 1229 CA GLY A 87 -7.795 10.357 -2.682 1.00 1.38 C ATOM 1230 C GLY A 87 -8.296 11.793 -2.521 1.00 1.20 C ATOM 1231 O GLY A 87 -7.842 12.697 -3.195 1.00 1.26 O ATOM 0 H GLY A 87 -9.704 9.402 -2.732 1.00 1.18 H new ATOM 0 HA2 GLY A 87 -6.871 10.218 -2.121 1.00 1.38 H new ATOM 0 HA3 GLY A 87 -7.566 10.156 -3.729 1.00 1.38 H new ATOM 1280 N ARG A 92 -7.810 10.235 5.826 1.00 2.28 N ATOM 1281 CA ARG A 92 -8.265 9.078 6.648 1.00 2.12 C ATOM 1282 C ARG A 92 -8.469 7.858 5.747 1.00 1.84 C ATOM 1283 O ARG A 92 -9.303 7.858 4.864 1.00 2.05 O ATOM 1284 CB ARG A 92 -9.586 9.429 7.335 1.00 2.02 C ATOM 1285 CG ARG A 92 -9.302 10.038 8.709 1.00 2.72 C ATOM 1286 CD ARG A 92 -9.467 8.965 9.788 1.00 3.19 C ATOM 1287 NE ARG A 92 -9.459 9.608 11.133 1.00 4.00 N ATOM 1288 CZ ARG A 92 -9.879 8.944 12.175 1.00 4.78 C ATOM 1289 NH1 ARG A 92 -10.304 7.718 12.040 1.00 4.91 N ATOM 1290 NH2 ARG A 92 -9.872 9.506 13.352 1.00 5.74 N ATOM 0 HA ARG A 92 -7.511 8.851 7.402 1.00 2.12 H new ATOM 0 HB2 ARG A 92 -10.150 10.133 6.723 1.00 2.02 H new ATOM 0 HB3 ARG A 92 -10.201 8.535 7.442 1.00 2.02 H new ATOM 0 HG2 ARG A 92 -8.291 10.444 8.737 1.00 2.72 H new ATOM 0 HG3 ARG A 92 -9.983 10.867 8.899 1.00 2.72 H new ATOM 0 HD2 ARG A 92 -10.401 8.423 9.638 1.00 3.19 H new ATOM 0 HD3 ARG A 92 -8.660 8.235 9.717 1.00 3.19 H new ATOM 0 HE ARG A 92 -9.126 10.566 11.239 1.00 4.00 H new ATOM 0 HH11 ARG A 92 -10.308 7.278 11.120 1.00 4.91 H new ATOM 0 HH12 ARG A 92 -10.632 7.199 12.855 1.00 4.91 H new ATOM 0 HH21 ARG A 92 -9.538 10.464 13.458 1.00 5.74 H new ATOM 0 HH22 ARG A 92 -10.200 8.987 14.167 1.00 5.74 H new ATOM 1304 N THR A 93 -7.712 6.816 5.964 1.00 1.67 N ATOM 1305 CA THR A 93 -7.862 5.597 5.121 1.00 1.74 C ATOM 1306 C THR A 93 -8.090 4.374 6.006 1.00 1.95 C ATOM 1307 O THR A 93 -8.067 4.453 7.219 1.00 2.27 O ATOM 1308 CB THR A 93 -6.592 5.379 4.297 1.00 1.70 C ATOM 1309 OG1 THR A 93 -6.401 3.986 4.098 1.00 2.15 O ATOM 1310 CG2 THR A 93 -5.389 5.954 5.045 1.00 1.74 C ATOM 0 H THR A 93 -6.997 6.757 6.689 1.00 1.67 H new ATOM 0 HA THR A 93 -8.716 5.734 4.458 1.00 1.74 H new ATOM 0 HB THR A 93 -6.691 5.880 3.334 1.00 1.70 H new ATOM 0 HG1 THR A 93 -6.597 3.759 3.165 1.00 2.15 H new ATOM 0 HG21 THR A 93 -4.485 5.797 4.456 1.00 1.74 H new ATOM 0 HG22 THR A 93 -5.537 7.022 5.206 1.00 1.74 H new ATOM 0 HG23 THR A 93 -5.286 5.453 6.008 1.00 1.74 H new ATOM 1318 N ALA A 94 -8.301 3.240 5.400 1.00 2.15 N ATOM 1319 CA ALA A 94 -8.519 1.998 6.189 1.00 2.71 C ATOM 1320 C ALA A 94 -7.495 0.949 5.752 1.00 2.70 C ATOM 1321 O ALA A 94 -7.207 0.012 6.470 1.00 3.18 O ATOM 1322 CB ALA A 94 -9.933 1.470 5.934 1.00 3.28 C ATOM 0 H ALA A 94 -8.332 3.120 4.388 1.00 2.15 H new ATOM 0 HA ALA A 94 -8.402 2.210 7.252 1.00 2.71 H new ATOM 0 HB1 ALA A 94 -10.091 0.560 6.513 1.00 3.28 H new ATOM 0 HB2 ALA A 94 -10.662 2.223 6.234 1.00 3.28 H new ATOM 0 HB3 ALA A 94 -10.054 1.251 4.873 1.00 3.28 H new ATOM 1328 N PHE A 95 -6.941 1.100 4.579 1.00 2.24 N ATOM 1329 CA PHE A 95 -5.934 0.111 4.101 1.00 2.32 C ATOM 1330 C PHE A 95 -4.539 0.573 4.521 1.00 1.89 C ATOM 1331 O PHE A 95 -3.570 0.369 3.818 1.00 2.04 O ATOM 1332 CB PHE A 95 -5.998 0.021 2.576 1.00 2.74 C ATOM 1333 CG PHE A 95 -5.625 -1.373 2.128 1.00 2.97 C ATOM 1334 CD1 PHE A 95 -4.714 -2.133 2.871 1.00 3.27 C ATOM 1335 CD2 PHE A 95 -6.194 -1.906 0.965 1.00 3.34 C ATOM 1336 CE1 PHE A 95 -4.372 -3.425 2.451 1.00 3.55 C ATOM 1337 CE2 PHE A 95 -5.852 -3.196 0.545 1.00 3.65 C ATOM 1338 CZ PHE A 95 -4.941 -3.955 1.287 1.00 3.60 C ATOM 0 H PHE A 95 -7.142 1.863 3.933 1.00 2.24 H new ATOM 0 HA PHE A 95 -6.144 -0.867 4.534 1.00 2.32 H new ATOM 0 HB2 PHE A 95 -7.002 0.267 2.230 1.00 2.74 H new ATOM 0 HB3 PHE A 95 -5.320 0.749 2.131 1.00 2.74 H new ATOM 0 HD1 PHE A 95 -4.275 -1.723 3.768 1.00 3.27 H new ATOM 0 HD2 PHE A 95 -6.898 -1.321 0.392 1.00 3.34 H new ATOM 0 HE1 PHE A 95 -3.670 -4.012 3.025 1.00 3.55 H new ATOM 0 HE2 PHE A 95 -6.292 -3.606 -0.352 1.00 3.65 H new ATOM 0 HZ PHE A 95 -4.677 -4.950 0.962 1.00 3.60 H new ATOM 1348 N GLU A 96 -4.428 1.201 5.658 1.00 1.92 N ATOM 1349 CA GLU A 96 -3.094 1.683 6.114 1.00 2.11 C ATOM 1350 C GLU A 96 -2.208 0.491 6.483 1.00 1.99 C ATOM 1351 O GLU A 96 -2.222 0.019 7.602 1.00 2.04 O ATOM 1352 CB GLU A 96 -3.269 2.586 7.336 1.00 2.46 C ATOM 1353 CG GLU A 96 -4.422 2.064 8.197 1.00 3.05 C ATOM 1354 CD GLU A 96 -4.213 2.500 9.648 1.00 3.87 C ATOM 1355 OE1 GLU A 96 -3.344 3.322 9.880 1.00 4.60 O ATOM 1356 OE2 GLU A 96 -4.928 2.002 10.503 1.00 4.04 O ATOM 0 H GLU A 96 -5.202 1.401 6.291 1.00 1.92 H new ATOM 0 HA GLU A 96 -2.621 2.245 5.308 1.00 2.11 H new ATOM 0 HB2 GLU A 96 -2.348 2.610 7.919 1.00 2.46 H new ATOM 0 HB3 GLU A 96 -3.472 3.609 7.019 1.00 2.46 H new ATOM 0 HG2 GLU A 96 -5.371 2.448 7.824 1.00 3.05 H new ATOM 0 HG3 GLU A 96 -4.472 0.977 8.136 1.00 3.05 H new ATOM 1363 N GLN A 97 -1.436 0.002 5.552 1.00 2.12 N ATOM 1364 CA GLN A 97 -0.547 -1.156 5.850 1.00 2.35 C ATOM 1365 C GLN A 97 0.875 -0.655 6.110 1.00 2.76 C ATOM 1366 O GLN A 97 1.375 0.211 5.421 1.00 3.44 O ATOM 1367 CB GLN A 97 -0.537 -2.112 4.655 1.00 2.59 C ATOM 1368 CG GLN A 97 -1.271 -3.399 5.030 1.00 2.67 C ATOM 1369 CD GLN A 97 -1.369 -4.307 3.803 1.00 2.83 C ATOM 1370 OE1 GLN A 97 -1.107 -3.884 2.695 1.00 2.75 O ATOM 1371 NE2 GLN A 97 -1.739 -5.550 3.956 1.00 3.46 N ATOM 0 H GLN A 97 -1.382 0.355 4.596 1.00 2.12 H new ATOM 0 HA GLN A 97 -0.916 -1.678 6.733 1.00 2.35 H new ATOM 0 HB2 GLN A 97 -1.017 -1.643 3.796 1.00 2.59 H new ATOM 0 HB3 GLN A 97 0.489 -2.337 4.363 1.00 2.59 H new ATOM 0 HG2 GLN A 97 -0.741 -3.911 5.833 1.00 2.67 H new ATOM 0 HG3 GLN A 97 -2.268 -3.166 5.404 1.00 2.67 H new ATOM 0 HE21 GLN A 97 -1.959 -5.906 4.886 1.00 3.46 H new ATOM 0 HE22 GLN A 97 -1.808 -6.165 3.145 1.00 3.46 H new ATOM 1380 N GLY A 98 1.531 -1.195 7.100 1.00 2.66 N ATOM 1381 CA GLY A 98 2.920 -0.752 7.404 1.00 3.12 C ATOM 1382 C GLY A 98 3.837 -1.973 7.516 1.00 2.94 C ATOM 1383 O GLY A 98 5.046 -1.855 7.520 1.00 3.67 O ATOM 0 H GLY A 98 1.165 -1.924 7.712 1.00 2.66 H new ATOM 0 HA2 GLY A 98 3.280 -0.086 6.620 1.00 3.12 H new ATOM 0 HA3 GLY A 98 2.936 -0.186 8.335 1.00 3.12 H new ATOM 1387 N SER A 99 3.272 -3.147 7.611 1.00 2.31 N ATOM 1388 CA SER A 99 4.110 -4.371 7.726 1.00 2.54 C ATOM 1389 C SER A 99 3.847 -5.287 6.529 1.00 2.05 C ATOM 1390 O SER A 99 3.103 -6.244 6.620 1.00 1.87 O ATOM 1391 CB SER A 99 3.750 -5.103 9.017 1.00 3.04 C ATOM 1392 OG SER A 99 4.580 -4.636 10.072 1.00 3.79 O ATOM 0 H SER A 99 2.265 -3.309 7.614 1.00 2.31 H new ATOM 0 HA SER A 99 5.164 -4.094 7.741 1.00 2.54 H new ATOM 0 HB2 SER A 99 2.701 -4.935 9.263 1.00 3.04 H new ATOM 0 HB3 SER A 99 3.879 -6.178 8.887 1.00 3.04 H new ATOM 0 HG SER A 99 4.349 -5.104 10.902 1.00 3.79 H new ATOM 1398 N ALA A 100 4.454 -5.007 5.409 1.00 1.96 N ATOM 1399 CA ALA A 100 4.239 -5.866 4.210 1.00 1.63 C ATOM 1400 C ALA A 100 5.560 -6.535 3.820 1.00 1.41 C ATOM 1401 O ALA A 100 6.283 -6.052 2.972 1.00 1.39 O ATOM 1402 CB ALA A 100 3.734 -5.006 3.050 1.00 1.76 C ATOM 0 H ALA A 100 5.089 -4.221 5.272 1.00 1.96 H new ATOM 0 HA ALA A 100 3.499 -6.633 4.438 1.00 1.63 H new ATOM 0 HB1 ALA A 100 3.577 -5.634 2.173 1.00 1.76 H new ATOM 0 HB2 ALA A 100 2.793 -4.533 3.331 1.00 1.76 H new ATOM 0 HB3 ALA A 100 4.472 -4.238 2.819 1.00 1.76 H new ATOM 1408 N PRO A 101 5.866 -7.639 4.444 1.00 1.67 N ATOM 1409 CA PRO A 101 7.119 -8.403 4.176 1.00 1.70 C ATOM 1410 C PRO A 101 7.343 -8.662 2.683 1.00 1.06 C ATOM 1411 O PRO A 101 6.483 -9.178 1.997 1.00 1.45 O ATOM 1412 CB PRO A 101 6.909 -9.725 4.918 1.00 2.69 C ATOM 1413 CG PRO A 101 5.918 -9.425 5.993 1.00 2.97 C ATOM 1414 CD PRO A 101 5.043 -8.282 5.480 1.00 2.35 C ATOM 0 HA PRO A 101 8.000 -7.851 4.505 1.00 1.70 H new ATOM 0 HB2 PRO A 101 6.537 -10.498 4.245 1.00 2.69 H new ATOM 0 HB3 PRO A 101 7.845 -10.092 5.338 1.00 2.69 H new ATOM 0 HG2 PRO A 101 5.314 -10.304 6.218 1.00 2.97 H new ATOM 0 HG3 PRO A 101 6.423 -9.141 6.916 1.00 2.97 H new ATOM 0 HD2 PRO A 101 4.103 -8.652 5.070 1.00 2.35 H new ATOM 0 HD3 PRO A 101 4.790 -7.584 6.278 1.00 2.35 H new ATOM 1422 N LEU A 102 8.495 -8.313 2.178 1.00 0.99 N ATOM 1423 CA LEU A 102 8.778 -8.543 0.733 1.00 1.10 C ATOM 1424 C LEU A 102 10.255 -8.900 0.557 1.00 0.93 C ATOM 1425 O LEU A 102 11.133 -8.193 1.010 1.00 1.33 O ATOM 1426 CB LEU A 102 8.461 -7.274 -0.061 1.00 2.00 C ATOM 1427 CG LEU A 102 7.002 -7.312 -0.522 1.00 2.39 C ATOM 1428 CD1 LEU A 102 6.595 -5.934 -1.047 1.00 3.06 C ATOM 1429 CD2 LEU A 102 6.848 -8.347 -1.638 1.00 2.31 C ATOM 0 H LEU A 102 9.253 -7.878 2.704 1.00 0.99 H new ATOM 0 HA LEU A 102 8.158 -9.361 0.367 1.00 1.10 H new ATOM 0 HB2 LEU A 102 8.636 -6.393 0.556 1.00 2.00 H new ATOM 0 HB3 LEU A 102 9.124 -7.196 -0.923 1.00 2.00 H new ATOM 0 HG LEU A 102 6.363 -7.583 0.318 1.00 2.39 H new ATOM 0 HD11 LEU A 102 5.556 -5.962 -1.375 1.00 3.06 H new ATOM 0 HD12 LEU A 102 6.705 -5.195 -0.253 1.00 3.06 H new ATOM 0 HD13 LEU A 102 7.234 -5.662 -1.887 1.00 3.06 H new ATOM 0 HD21 LEU A 102 5.809 -8.375 -1.967 1.00 2.31 H new ATOM 0 HD22 LEU A 102 7.488 -8.075 -2.478 1.00 2.31 H new ATOM 0 HD23 LEU A 102 7.137 -9.330 -1.265 1.00 2.31 H new ATOM 1441 N THR A 103 10.537 -9.993 -0.098 1.00 1.21 N ATOM 1442 CA THR A 103 11.958 -10.396 -0.300 1.00 1.09 C ATOM 1443 C THR A 103 12.467 -9.827 -1.626 1.00 1.38 C ATOM 1444 O THR A 103 11.818 -9.016 -2.255 1.00 1.81 O ATOM 1445 CB THR A 103 12.058 -11.923 -0.328 1.00 1.79 C ATOM 1446 OG1 THR A 103 13.347 -12.303 -0.787 1.00 2.04 O ATOM 1447 CG2 THR A 103 10.991 -12.489 -1.267 1.00 2.34 C ATOM 0 H THR A 103 9.845 -10.624 -0.502 1.00 1.21 H new ATOM 0 HA THR A 103 12.564 -10.008 0.518 1.00 1.09 H new ATOM 0 HB THR A 103 11.900 -12.317 0.676 1.00 1.79 H new ATOM 0 HG1 THR A 103 13.413 -13.281 -0.804 1.00 2.04 H new ATOM 0 HG21 THR A 103 11.063 -13.576 -1.286 1.00 2.34 H new ATOM 0 HG22 THR A 103 10.002 -12.197 -0.912 1.00 2.34 H new ATOM 0 HG23 THR A 103 11.146 -12.097 -2.272 1.00 2.34 H new ATOM 1455 N GLY A 104 13.626 -10.248 -2.056 1.00 1.62 N ATOM 1456 CA GLY A 104 14.176 -9.732 -3.342 1.00 2.17 C ATOM 1457 C GLY A 104 13.757 -10.657 -4.485 1.00 1.60 C ATOM 1458 O GLY A 104 14.275 -10.578 -5.581 1.00 1.83 O ATOM 0 H GLY A 104 14.215 -10.926 -1.573 1.00 1.62 H new ATOM 0 HA2 GLY A 104 13.811 -8.721 -3.526 1.00 2.17 H new ATOM 0 HA3 GLY A 104 15.263 -9.674 -3.287 1.00 2.17 H new ATOM 1462 N GLU A 105 12.821 -11.532 -4.240 1.00 1.22 N ATOM 1463 CA GLU A 105 12.368 -12.460 -5.315 1.00 1.09 C ATOM 1464 C GLU A 105 11.027 -11.980 -5.869 1.00 1.06 C ATOM 1465 O GLU A 105 10.259 -11.333 -5.185 1.00 1.08 O ATOM 1466 CB GLU A 105 12.209 -13.868 -4.738 1.00 1.40 C ATOM 1467 CG GLU A 105 13.434 -14.711 -5.098 1.00 1.95 C ATOM 1468 CD GLU A 105 14.665 -14.158 -4.376 1.00 2.43 C ATOM 1469 OE1 GLU A 105 14.819 -12.947 -4.351 1.00 2.75 O ATOM 1470 OE2 GLU A 105 15.431 -14.954 -3.860 1.00 3.02 O ATOM 0 H GLU A 105 12.350 -11.645 -3.342 1.00 1.22 H new ATOM 0 HA GLU A 105 13.106 -12.478 -6.117 1.00 1.09 H new ATOM 0 HB2 GLU A 105 12.095 -13.818 -3.655 1.00 1.40 H new ATOM 0 HB3 GLU A 105 11.306 -14.334 -5.132 1.00 1.40 H new ATOM 0 HG2 GLU A 105 13.269 -15.750 -4.814 1.00 1.95 H new ATOM 0 HG3 GLU A 105 13.595 -14.696 -6.176 1.00 1.95 H new ATOM 1477 N PRO A 106 10.751 -12.297 -7.104 1.00 1.08 N ATOM 1478 CA PRO A 106 9.482 -11.898 -7.777 1.00 1.12 C ATOM 1479 C PRO A 106 8.275 -12.668 -7.238 1.00 1.24 C ATOM 1480 O PRO A 106 8.203 -13.878 -7.335 1.00 1.42 O ATOM 1481 CB PRO A 106 9.722 -12.242 -9.248 1.00 1.26 C ATOM 1482 CG PRO A 106 10.773 -13.301 -9.246 1.00 1.20 C ATOM 1483 CD PRO A 106 11.625 -13.075 -7.996 1.00 1.13 C ATOM 0 HA PRO A 106 9.251 -10.846 -7.610 1.00 1.12 H new ATOM 0 HB2 PRO A 106 8.807 -12.599 -9.721 1.00 1.26 H new ATOM 0 HB3 PRO A 106 10.050 -11.366 -9.807 1.00 1.26 H new ATOM 0 HG2 PRO A 106 10.322 -14.293 -9.232 1.00 1.20 H new ATOM 0 HG3 PRO A 106 11.384 -13.241 -10.147 1.00 1.20 H new ATOM 0 HD2 PRO A 106 11.922 -14.019 -7.540 1.00 1.13 H new ATOM 0 HD3 PRO A 106 12.541 -12.532 -8.230 1.00 1.13 H new ATOM 1491 N ALA A 107 7.325 -11.978 -6.668 1.00 1.17 N ATOM 1492 CA ALA A 107 6.123 -12.671 -6.123 1.00 1.31 C ATOM 1493 C ALA A 107 5.002 -11.654 -5.908 1.00 1.24 C ATOM 1494 O ALA A 107 5.243 -10.510 -5.579 1.00 1.04 O ATOM 1495 CB ALA A 107 6.477 -13.330 -4.788 1.00 1.37 C ATOM 0 H ALA A 107 7.329 -10.964 -6.556 1.00 1.17 H new ATOM 0 HA ALA A 107 5.791 -13.433 -6.828 1.00 1.31 H new ATOM 0 HB1 ALA A 107 5.599 -13.837 -4.388 1.00 1.37 H new ATOM 0 HB2 ALA A 107 7.276 -14.055 -4.941 1.00 1.37 H new ATOM 0 HB3 ALA A 107 6.808 -12.568 -4.083 1.00 1.37 H new ATOM 1501 N THR A 108 3.775 -12.062 -6.093 1.00 1.45 N ATOM 1502 CA THR A 108 2.640 -11.117 -5.900 1.00 1.43 C ATOM 1503 C THR A 108 2.163 -11.174 -4.450 1.00 1.38 C ATOM 1504 O THR A 108 1.940 -12.235 -3.901 1.00 1.47 O ATOM 1505 CB THR A 108 1.475 -11.517 -6.812 1.00 1.60 C ATOM 1506 OG1 THR A 108 1.502 -12.924 -7.013 1.00 1.72 O ATOM 1507 CG2 THR A 108 1.572 -10.812 -8.169 1.00 1.66 C ATOM 0 H THR A 108 3.511 -13.008 -6.369 1.00 1.45 H new ATOM 0 HA THR A 108 2.976 -10.109 -6.143 1.00 1.43 H new ATOM 0 HB THR A 108 0.542 -11.219 -6.334 1.00 1.60 H new ATOM 0 HG1 THR A 108 0.758 -13.186 -7.594 1.00 1.72 H new ATOM 0 HG21 THR A 108 0.733 -11.114 -8.796 1.00 1.66 H new ATOM 0 HG22 THR A 108 1.545 -9.732 -8.021 1.00 1.66 H new ATOM 0 HG23 THR A 108 2.507 -11.088 -8.656 1.00 1.66 H new ATOM 1515 N ARG A 109 1.972 -10.041 -3.831 1.00 1.33 N ATOM 1516 CA ARG A 109 1.474 -10.049 -2.429 1.00 1.32 C ATOM 1517 C ARG A 109 -0.014 -9.717 -2.458 1.00 1.37 C ATOM 1518 O ARG A 109 -0.440 -8.804 -3.140 1.00 1.49 O ATOM 1519 CB ARG A 109 2.203 -9.010 -1.585 1.00 1.27 C ATOM 1520 CG ARG A 109 3.708 -9.288 -1.611 1.00 1.97 C ATOM 1521 CD ARG A 109 3.991 -10.628 -0.929 1.00 2.63 C ATOM 1522 NE ARG A 109 3.818 -11.732 -1.913 1.00 3.48 N ATOM 1523 CZ ARG A 109 4.287 -12.922 -1.650 1.00 3.74 C ATOM 1524 NH1 ARG A 109 4.907 -13.143 -0.522 1.00 3.39 N ATOM 1525 NH2 ARG A 109 4.135 -13.890 -2.511 1.00 4.70 N ATOM 0 H ARG A 109 2.138 -9.118 -4.232 1.00 1.33 H new ATOM 0 HA ARG A 109 1.651 -11.030 -1.987 1.00 1.32 H new ATOM 0 HB2 ARG A 109 2.002 -8.010 -1.968 1.00 1.27 H new ATOM 0 HB3 ARG A 109 1.836 -9.038 -0.559 1.00 1.27 H new ATOM 0 HG2 ARG A 109 4.067 -9.308 -2.640 1.00 1.97 H new ATOM 0 HG3 ARG A 109 4.245 -8.488 -1.102 1.00 1.97 H new ATOM 0 HD2 ARG A 109 5.005 -10.638 -0.530 1.00 2.63 H new ATOM 0 HD3 ARG A 109 3.315 -10.769 -0.086 1.00 2.63 H new ATOM 0 HE ARG A 109 3.333 -11.559 -2.793 1.00 3.48 H new ATOM 0 HH11 ARG A 109 5.024 -12.387 0.152 1.00 3.39 H new ATOM 0 HH12 ARG A 109 5.274 -14.072 -0.315 1.00 3.39 H new ATOM 0 HH21 ARG A 109 3.649 -13.718 -3.391 1.00 4.70 H new ATOM 0 HH22 ARG A 109 4.502 -14.819 -2.304 1.00 4.70 H new ATOM 1539 N GLU A 110 -0.799 -10.459 -1.734 1.00 1.37 N ATOM 1540 CA GLU A 110 -2.267 -10.210 -1.732 1.00 1.51 C ATOM 1541 C GLU A 110 -2.707 -9.632 -0.388 1.00 1.50 C ATOM 1542 O GLU A 110 -2.794 -10.331 0.603 1.00 1.45 O ATOM 1543 CB GLU A 110 -3.001 -11.530 -1.978 1.00 1.79 C ATOM 1544 CG GLU A 110 -3.398 -11.627 -3.452 1.00 2.12 C ATOM 1545 CD GLU A 110 -4.293 -12.850 -3.660 1.00 2.63 C ATOM 1546 OE1 GLU A 110 -5.341 -12.905 -3.038 1.00 3.28 O ATOM 1547 OE2 GLU A 110 -3.916 -13.710 -4.440 1.00 2.69 O ATOM 0 H GLU A 110 -0.489 -11.229 -1.142 1.00 1.37 H new ATOM 0 HA GLU A 110 -2.506 -9.495 -2.519 1.00 1.51 H new ATOM 0 HB2 GLU A 110 -2.361 -12.370 -1.707 1.00 1.79 H new ATOM 0 HB3 GLU A 110 -3.888 -11.588 -1.347 1.00 1.79 H new ATOM 0 HG2 GLU A 110 -3.923 -10.722 -3.758 1.00 2.12 H new ATOM 0 HG3 GLU A 110 -2.507 -11.705 -4.075 1.00 2.12 H new ATOM 1554 N TYR A 111 -3.008 -8.364 -0.351 1.00 1.66 N ATOM 1555 CA TYR A 111 -3.467 -7.743 0.920 1.00 1.81 C ATOM 1556 C TYR A 111 -4.951 -7.408 0.782 1.00 2.14 C ATOM 1557 O TYR A 111 -5.359 -6.729 -0.141 1.00 2.42 O ATOM 1558 CB TYR A 111 -2.674 -6.462 1.193 1.00 1.87 C ATOM 1559 CG TYR A 111 -1.222 -6.798 1.439 1.00 1.94 C ATOM 1560 CD1 TYR A 111 -0.867 -7.690 2.459 1.00 1.82 C ATOM 1561 CD2 TYR A 111 -0.227 -6.211 0.648 1.00 2.76 C ATOM 1562 CE1 TYR A 111 0.480 -7.995 2.686 1.00 2.00 C ATOM 1563 CE2 TYR A 111 1.121 -6.515 0.876 1.00 2.96 C ATOM 1564 CZ TYR A 111 1.474 -7.407 1.895 1.00 2.36 C ATOM 1565 OH TYR A 111 2.802 -7.707 2.120 1.00 2.67 O ATOM 0 H TYR A 111 -2.955 -7.731 -1.149 1.00 1.66 H new ATOM 0 HA TYR A 111 -3.310 -8.433 1.749 1.00 1.81 H new ATOM 0 HB2 TYR A 111 -2.760 -5.783 0.345 1.00 1.87 H new ATOM 0 HB3 TYR A 111 -3.088 -5.945 2.059 1.00 1.87 H new ATOM 0 HD1 TYR A 111 -1.633 -8.143 3.071 1.00 1.82 H new ATOM 0 HD2 TYR A 111 -0.499 -5.523 -0.139 1.00 2.76 H new ATOM 0 HE1 TYR A 111 0.753 -8.684 3.472 1.00 2.00 H new ATOM 0 HE2 TYR A 111 1.888 -6.061 0.266 1.00 2.96 H new ATOM 0 HH TYR A 111 3.299 -7.643 1.278 1.00 2.67 H new ATOM 1575 N ALA A 112 -5.769 -7.888 1.678 1.00 2.33 N ATOM 1576 CA ALA A 112 -7.225 -7.601 1.577 1.00 2.71 C ATOM 1577 C ALA A 112 -7.734 -7.019 2.896 1.00 2.50 C ATOM 1578 O ALA A 112 -7.089 -7.116 3.921 1.00 2.65 O ATOM 1579 CB ALA A 112 -7.979 -8.896 1.267 1.00 3.41 C ATOM 0 H ALA A 112 -5.492 -8.464 2.473 1.00 2.33 H new ATOM 0 HA ALA A 112 -7.393 -6.879 0.778 1.00 2.71 H new ATOM 0 HB1 ALA A 112 -9.046 -8.687 1.193 1.00 3.41 H new ATOM 0 HB2 ALA A 112 -7.623 -9.307 0.322 1.00 3.41 H new ATOM 0 HB3 ALA A 112 -7.805 -9.618 2.065 1.00 3.41 H new ATOM 1585 N PHE A 113 -8.892 -6.418 2.876 1.00 2.28 N ATOM 1586 CA PHE A 113 -9.450 -5.831 4.125 1.00 2.20 C ATOM 1587 C PHE A 113 -10.926 -5.490 3.913 1.00 1.67 C ATOM 1588 O PHE A 113 -11.530 -5.886 2.936 1.00 1.59 O ATOM 1589 CB PHE A 113 -8.687 -4.554 4.482 1.00 2.57 C ATOM 1590 CG PHE A 113 -8.946 -3.503 3.429 1.00 2.45 C ATOM 1591 CD1 PHE A 113 -8.512 -3.706 2.113 1.00 2.38 C ATOM 1592 CD2 PHE A 113 -9.621 -2.324 3.768 1.00 2.65 C ATOM 1593 CE1 PHE A 113 -8.754 -2.733 1.138 1.00 2.44 C ATOM 1594 CE2 PHE A 113 -9.863 -1.350 2.792 1.00 2.77 C ATOM 1595 CZ PHE A 113 -9.429 -1.554 1.477 1.00 2.64 C ATOM 0 H PHE A 113 -9.476 -6.308 2.047 1.00 2.28 H new ATOM 0 HA PHE A 113 -9.351 -6.553 4.935 1.00 2.20 H new ATOM 0 HB2 PHE A 113 -9.003 -4.190 5.460 1.00 2.57 H new ATOM 0 HB3 PHE A 113 -7.619 -4.762 4.549 1.00 2.57 H new ATOM 0 HD1 PHE A 113 -7.990 -4.614 1.851 1.00 2.38 H new ATOM 0 HD2 PHE A 113 -9.955 -2.166 4.783 1.00 2.65 H new ATOM 0 HE1 PHE A 113 -8.420 -2.891 0.123 1.00 2.44 H new ATOM 0 HE2 PHE A 113 -10.385 -0.441 3.054 1.00 2.77 H new ATOM 0 HZ PHE A 113 -9.615 -0.802 0.724 1.00 2.64 H new ATOM 1605 N THR A 114 -11.506 -4.755 4.821 1.00 1.53 N ATOM 1606 CA THR A 114 -12.940 -4.381 4.681 1.00 1.47 C ATOM 1607 C THR A 114 -13.052 -2.876 4.430 1.00 1.85 C ATOM 1608 O THR A 114 -12.190 -2.110 4.813 1.00 2.23 O ATOM 1609 CB THR A 114 -13.682 -4.741 5.968 1.00 1.92 C ATOM 1610 OG1 THR A 114 -12.785 -4.654 7.068 1.00 2.12 O ATOM 1611 CG2 THR A 114 -14.228 -6.167 5.867 1.00 2.22 C ATOM 0 H THR A 114 -11.046 -4.396 5.657 1.00 1.53 H new ATOM 0 HA THR A 114 -13.380 -4.921 3.842 1.00 1.47 H new ATOM 0 HB THR A 114 -14.511 -4.048 6.115 1.00 1.92 H new ATOM 0 HG1 THR A 114 -13.258 -4.883 7.895 1.00 2.12 H new ATOM 0 HG21 THR A 114 -14.756 -6.420 6.786 1.00 2.22 H new ATOM 0 HG22 THR A 114 -14.915 -6.235 5.023 1.00 2.22 H new ATOM 0 HG23 THR A 114 -13.402 -6.863 5.720 1.00 2.22 H new ATOM 1619 N SER A 115 -14.103 -2.443 3.788 1.00 2.24 N ATOM 1620 CA SER A 115 -14.255 -0.987 3.517 1.00 2.93 C ATOM 1621 C SER A 115 -15.011 -0.321 4.670 1.00 3.67 C ATOM 1622 O SER A 115 -16.056 0.269 4.487 1.00 4.11 O ATOM 1623 CB SER A 115 -15.006 -0.787 2.199 1.00 3.21 C ATOM 1624 OG SER A 115 -15.843 0.357 2.299 1.00 4.06 O ATOM 0 H SER A 115 -14.860 -3.033 3.441 1.00 2.24 H new ATOM 0 HA SER A 115 -13.270 -0.527 3.435 1.00 2.93 H new ATOM 0 HB2 SER A 115 -14.298 -0.662 1.380 1.00 3.21 H new ATOM 0 HB3 SER A 115 -15.604 -1.669 1.971 1.00 3.21 H new ATOM 0 HG SER A 115 -15.498 0.955 2.994 1.00 4.06 H new ATOM 1630 N ASN A 116 -14.483 -0.411 5.860 1.00 3.92 N ATOM 1631 CA ASN A 116 -15.160 0.210 7.034 1.00 4.70 C ATOM 1632 C ASN A 116 -15.877 1.493 6.604 1.00 4.40 C ATOM 1633 O ASN A 116 -16.976 1.773 7.038 1.00 4.82 O ATOM 1634 CB ASN A 116 -14.118 0.545 8.102 1.00 5.27 C ATOM 1635 CG ASN A 116 -14.701 0.269 9.489 1.00 6.19 C ATOM 1636 OD1 ASN A 116 -13.975 0.185 10.460 1.00 6.51 O ATOM 1637 ND2 ASN A 116 -15.991 0.124 9.625 1.00 6.86 N ATOM 0 H ASN A 116 -13.608 -0.890 6.071 1.00 3.92 H new ATOM 0 HA ASN A 116 -15.890 -0.491 7.439 1.00 4.70 H new ATOM 0 HB2 ASN A 116 -13.219 -0.052 7.948 1.00 5.27 H new ATOM 0 HB3 ASN A 116 -13.823 1.591 8.022 1.00 5.27 H new ATOM 0 HD21 ASN A 116 -16.389 -0.060 10.546 1.00 6.86 H new ATOM 0 HD22 ASN A 116 -16.601 0.194 8.810 1.00 6.86 H new ATOM 1644 N LEU A 117 -15.265 2.276 5.757 1.00 3.81 N ATOM 1645 CA LEU A 117 -15.920 3.539 5.311 1.00 3.59 C ATOM 1646 C LEU A 117 -16.336 3.416 3.844 1.00 3.13 C ATOM 1647 O LEU A 117 -16.301 2.350 3.264 1.00 3.28 O ATOM 1648 CB LEU A 117 -14.947 4.704 5.470 1.00 3.83 C ATOM 1649 CG LEU A 117 -15.430 5.614 6.601 1.00 4.66 C ATOM 1650 CD1 LEU A 117 -14.499 6.815 6.702 1.00 5.12 C ATOM 1651 CD2 LEU A 117 -16.850 6.105 6.307 1.00 4.76 C ATOM 0 H LEU A 117 -14.344 2.097 5.356 1.00 3.81 H new ATOM 0 HA LEU A 117 -16.805 3.719 5.922 1.00 3.59 H new ATOM 0 HB2 LEU A 117 -13.947 4.330 5.690 1.00 3.83 H new ATOM 0 HB3 LEU A 117 -14.879 5.266 4.539 1.00 3.83 H new ATOM 0 HG LEU A 117 -15.429 5.057 7.538 1.00 4.66 H new ATOM 0 HD11 LEU A 117 -14.836 7.470 7.506 1.00 5.12 H new ATOM 0 HD12 LEU A 117 -13.486 6.473 6.913 1.00 5.12 H new ATOM 0 HD13 LEU A 117 -14.509 7.363 5.760 1.00 5.12 H new ATOM 0 HD21 LEU A 117 -17.186 6.752 7.117 1.00 4.76 H new ATOM 0 HD22 LEU A 117 -16.855 6.663 5.371 1.00 4.76 H new ATOM 0 HD23 LEU A 117 -17.521 5.250 6.224 1.00 4.76 H new ATOM 1663 N THR A 118 -16.733 4.503 3.240 1.00 3.12 N ATOM 1664 CA THR A 118 -17.157 4.458 1.816 1.00 3.08 C ATOM 1665 C THR A 118 -16.432 5.553 1.030 1.00 3.13 C ATOM 1666 O THR A 118 -15.958 6.521 1.590 1.00 3.70 O ATOM 1667 CB THR A 118 -18.665 4.690 1.740 1.00 3.62 C ATOM 1668 OG1 THR A 118 -19.070 5.505 2.829 1.00 4.06 O ATOM 1669 CG2 THR A 118 -19.396 3.348 1.805 1.00 4.04 C ATOM 0 H THR A 118 -16.781 5.424 3.676 1.00 3.12 H new ATOM 0 HA THR A 118 -16.910 3.486 1.389 1.00 3.08 H new ATOM 0 HB THR A 118 -18.910 5.187 0.801 1.00 3.62 H new ATOM 0 HG1 THR A 118 -20.037 5.657 2.782 1.00 4.06 H new ATOM 0 HG21 THR A 118 -20.472 3.517 1.751 1.00 4.04 H new ATOM 0 HG22 THR A 118 -19.084 2.723 0.968 1.00 4.04 H new ATOM 0 HG23 THR A 118 -19.154 2.847 2.742 1.00 4.04 H new ATOM 1677 N PHE A 119 -16.345 5.408 -0.264 1.00 2.76 N ATOM 1678 CA PHE A 119 -15.656 6.441 -1.088 1.00 3.07 C ATOM 1679 C PHE A 119 -15.985 6.211 -2.566 1.00 2.72 C ATOM 1680 O PHE A 119 -15.364 5.400 -3.225 1.00 2.65 O ATOM 1681 CB PHE A 119 -14.144 6.332 -0.881 1.00 3.53 C ATOM 1682 CG PHE A 119 -13.783 6.845 0.492 1.00 4.12 C ATOM 1683 CD1 PHE A 119 -14.015 8.187 0.820 1.00 4.69 C ATOM 1684 CD2 PHE A 119 -13.219 5.981 1.438 1.00 4.47 C ATOM 1685 CE1 PHE A 119 -13.682 8.663 2.094 1.00 5.33 C ATOM 1686 CE2 PHE A 119 -12.885 6.457 2.710 1.00 5.10 C ATOM 1687 CZ PHE A 119 -13.116 7.798 3.039 1.00 5.44 C ATOM 0 H PHE A 119 -16.722 4.617 -0.787 1.00 2.76 H new ATOM 0 HA PHE A 119 -15.993 7.433 -0.788 1.00 3.07 H new ATOM 0 HB2 PHE A 119 -13.826 5.295 -0.988 1.00 3.53 H new ATOM 0 HB3 PHE A 119 -13.620 6.907 -1.645 1.00 3.53 H new ATOM 0 HD1 PHE A 119 -14.450 8.854 0.091 1.00 4.69 H new ATOM 0 HD2 PHE A 119 -13.042 4.946 1.185 1.00 4.47 H new ATOM 0 HE1 PHE A 119 -13.862 9.697 2.348 1.00 5.33 H new ATOM 0 HE2 PHE A 119 -12.449 5.790 3.439 1.00 5.10 H new ATOM 0 HZ PHE A 119 -12.858 8.165 4.021 1.00 5.44 H new ATOM 1697 N PRO A 120 -16.958 6.914 -3.083 1.00 2.96 N ATOM 1698 CA PRO A 120 -17.378 6.778 -4.505 1.00 2.86 C ATOM 1699 C PRO A 120 -16.442 7.522 -5.462 1.00 3.02 C ATOM 1700 O PRO A 120 -15.644 8.341 -5.051 1.00 3.70 O ATOM 1701 CB PRO A 120 -18.774 7.399 -4.528 1.00 3.40 C ATOM 1702 CG PRO A 120 -18.800 8.380 -3.402 1.00 4.04 C ATOM 1703 CD PRO A 120 -17.766 7.917 -2.370 1.00 3.80 C ATOM 0 HA PRO A 120 -17.357 5.740 -4.837 1.00 2.86 H new ATOM 0 HB2 PRO A 120 -18.967 7.892 -5.481 1.00 3.40 H new ATOM 0 HB3 PRO A 120 -19.543 6.637 -4.401 1.00 3.40 H new ATOM 0 HG2 PRO A 120 -18.564 9.382 -3.760 1.00 4.04 H new ATOM 0 HG3 PRO A 120 -19.794 8.427 -2.956 1.00 4.04 H new ATOM 0 HD2 PRO A 120 -17.152 8.748 -2.023 1.00 3.80 H new ATOM 0 HD3 PRO A 120 -18.247 7.488 -1.491 1.00 3.80 H new ATOM 1711 N PRO A 121 -16.541 7.237 -6.733 1.00 2.87 N ATOM 1712 CA PRO A 121 -15.696 7.882 -7.776 1.00 3.45 C ATOM 1713 C PRO A 121 -16.205 9.276 -8.148 1.00 3.18 C ATOM 1714 O PRO A 121 -15.527 10.043 -8.801 1.00 3.79 O ATOM 1715 CB PRO A 121 -15.819 6.936 -8.968 1.00 3.90 C ATOM 1716 CG PRO A 121 -17.151 6.277 -8.816 1.00 3.47 C ATOM 1717 CD PRO A 121 -17.477 6.263 -7.320 1.00 2.74 C ATOM 0 HA PRO A 121 -14.670 8.030 -7.438 1.00 3.45 H new ATOM 0 HB2 PRO A 121 -15.755 7.481 -9.910 1.00 3.90 H new ATOM 0 HB3 PRO A 121 -15.015 6.200 -8.970 1.00 3.90 H new ATOM 0 HG2 PRO A 121 -17.915 6.820 -9.372 1.00 3.47 H new ATOM 0 HG3 PRO A 121 -17.127 5.263 -9.215 1.00 3.47 H new ATOM 0 HD2 PRO A 121 -18.513 6.547 -7.136 1.00 2.74 H new ATOM 0 HD3 PRO A 121 -17.338 5.270 -6.892 1.00 2.74 H new ATOM 1725 N ASP A 122 -17.399 9.604 -7.738 1.00 2.63 N ATOM 1726 CA ASP A 122 -17.957 10.944 -8.068 1.00 2.65 C ATOM 1727 C ASP A 122 -18.021 11.798 -6.800 1.00 2.94 C ATOM 1728 O ASP A 122 -18.582 12.876 -6.792 1.00 3.74 O ATOM 1729 CB ASP A 122 -19.365 10.783 -8.645 1.00 2.79 C ATOM 1730 CG ASP A 122 -19.275 10.197 -10.055 1.00 3.42 C ATOM 1731 OD1 ASP A 122 -18.172 9.900 -10.483 1.00 4.14 O ATOM 1732 OD2 ASP A 122 -20.311 10.056 -10.684 1.00 3.56 O ATOM 0 H ASP A 122 -18.012 9.002 -7.189 1.00 2.63 H new ATOM 0 HA ASP A 122 -17.316 11.432 -8.803 1.00 2.65 H new ATOM 0 HB2 ASP A 122 -19.959 10.130 -8.006 1.00 2.79 H new ATOM 0 HB3 ASP A 122 -19.871 11.748 -8.672 1.00 2.79 H new ATOM 1737 N GLY A 123 -17.450 11.325 -5.726 1.00 2.81 N ATOM 1738 CA GLY A 123 -17.477 12.109 -4.460 1.00 3.57 C ATOM 1739 C GLY A 123 -16.171 12.893 -4.317 1.00 3.16 C ATOM 1740 O GLY A 123 -15.257 12.741 -5.103 1.00 3.47 O ATOM 0 H GLY A 123 -16.966 10.429 -5.671 1.00 2.81 H new ATOM 0 HA2 GLY A 123 -18.326 12.793 -4.461 1.00 3.57 H new ATOM 0 HA3 GLY A 123 -17.607 11.441 -3.609 1.00 3.57 H new ATOM 1744 N ASP A 124 -16.075 13.729 -3.320 1.00 2.78 N ATOM 1745 CA ASP A 124 -14.827 14.520 -3.129 1.00 2.58 C ATOM 1746 C ASP A 124 -13.704 13.595 -2.656 1.00 2.15 C ATOM 1747 O ASP A 124 -12.853 13.983 -1.879 1.00 2.31 O ATOM 1748 CB ASP A 124 -15.068 15.607 -2.079 1.00 3.01 C ATOM 1749 CG ASP A 124 -14.041 16.727 -2.258 1.00 3.26 C ATOM 1750 OD1 ASP A 124 -13.325 16.695 -3.245 1.00 3.59 O ATOM 1751 OD2 ASP A 124 -13.988 17.596 -1.405 1.00 3.51 O ATOM 0 H ASP A 124 -16.807 13.898 -2.630 1.00 2.78 H new ATOM 0 HA ASP A 124 -14.543 14.983 -4.074 1.00 2.58 H new ATOM 0 HB2 ASP A 124 -16.078 16.006 -2.178 1.00 3.01 H new ATOM 0 HB3 ASP A 124 -14.989 15.184 -1.078 1.00 3.01 H new ATOM 1756 N ALA A 125 -13.692 12.375 -3.120 1.00 1.83 N ATOM 1757 CA ALA A 125 -12.622 11.427 -2.696 1.00 1.67 C ATOM 1758 C ALA A 125 -12.841 10.074 -3.378 1.00 1.39 C ATOM 1759 O ALA A 125 -13.488 9.198 -2.841 1.00 1.38 O ATOM 1760 CB ALA A 125 -12.675 11.247 -1.178 1.00 2.08 C ATOM 0 H ALA A 125 -14.376 11.994 -3.774 1.00 1.83 H new ATOM 0 HA ALA A 125 -11.648 11.825 -2.982 1.00 1.67 H new ATOM 0 HB1 ALA A 125 -11.893 10.554 -0.866 1.00 2.08 H new ATOM 0 HB2 ALA A 125 -12.521 12.210 -0.692 1.00 2.08 H new ATOM 0 HB3 ALA A 125 -13.648 10.848 -0.893 1.00 2.08 H new ATOM 1766 N PRO A 126 -12.303 9.910 -4.557 1.00 1.26 N ATOM 1767 CA PRO A 126 -12.435 8.647 -5.335 1.00 1.14 C ATOM 1768 C PRO A 126 -11.454 7.570 -4.866 1.00 1.05 C ATOM 1769 O PRO A 126 -10.935 7.623 -3.769 1.00 1.36 O ATOM 1770 CB PRO A 126 -12.114 9.080 -6.765 1.00 1.27 C ATOM 1771 CG PRO A 126 -11.202 10.255 -6.630 1.00 1.31 C ATOM 1772 CD PRO A 126 -11.506 10.914 -5.281 1.00 1.39 C ATOM 0 HA PRO A 126 -13.422 8.198 -5.223 1.00 1.14 H new ATOM 0 HB2 PRO A 126 -11.636 8.274 -7.321 1.00 1.27 H new ATOM 0 HB3 PRO A 126 -13.021 9.347 -7.307 1.00 1.27 H new ATOM 0 HG2 PRO A 126 -10.160 9.940 -6.678 1.00 1.31 H new ATOM 0 HG3 PRO A 126 -11.360 10.960 -7.446 1.00 1.31 H new ATOM 0 HD2 PRO A 126 -10.590 11.159 -4.743 1.00 1.39 H new ATOM 0 HD3 PRO A 126 -12.059 11.844 -5.409 1.00 1.39 H new ATOM 1780 N GLY A 127 -11.193 6.592 -5.690 1.00 1.02 N ATOM 1781 CA GLY A 127 -10.245 5.514 -5.292 1.00 1.03 C ATOM 1782 C GLY A 127 -8.847 6.104 -5.109 1.00 1.09 C ATOM 1783 O GLY A 127 -8.512 7.118 -5.687 1.00 1.19 O ATOM 0 H GLY A 127 -11.596 6.493 -6.622 1.00 1.02 H new ATOM 0 HA2 GLY A 127 -10.578 5.047 -4.365 1.00 1.03 H new ATOM 0 HA3 GLY A 127 -10.225 4.734 -6.053 1.00 1.03 H new ATOM 1787 N GLN A 128 -8.028 5.480 -4.307 1.00 1.12 N ATOM 1788 CA GLN A 128 -6.653 6.011 -4.092 1.00 1.26 C ATOM 1789 C GLN A 128 -5.696 4.855 -3.797 1.00 1.11 C ATOM 1790 O GLN A 128 -6.030 3.918 -3.099 1.00 1.11 O ATOM 1791 CB GLN A 128 -6.658 6.983 -2.911 1.00 1.53 C ATOM 1792 CG GLN A 128 -5.282 7.641 -2.785 1.00 1.64 C ATOM 1793 CD GLN A 128 -4.562 7.089 -1.553 1.00 1.87 C ATOM 1794 OE1 GLN A 128 -3.617 6.335 -1.674 1.00 2.01 O ATOM 1795 NE2 GLN A 128 -4.972 7.435 -0.363 1.00 1.99 N ATOM 0 H GLN A 128 -8.251 4.628 -3.793 1.00 1.12 H new ATOM 0 HA GLN A 128 -6.324 6.533 -4.990 1.00 1.26 H new ATOM 0 HB2 GLN A 128 -7.425 7.744 -3.056 1.00 1.53 H new ATOM 0 HB3 GLN A 128 -6.905 6.453 -1.991 1.00 1.53 H new ATOM 0 HG2 GLN A 128 -4.692 7.448 -3.681 1.00 1.64 H new ATOM 0 HG3 GLN A 128 -5.391 8.722 -2.702 1.00 1.64 H new ATOM 0 HE21 GLN A 128 -5.765 8.068 -0.261 1.00 1.99 H new ATOM 0 HE22 GLN A 128 -4.499 7.072 0.465 1.00 1.99 H new ATOM 1804 N VAL A 129 -4.504 4.918 -4.324 1.00 1.03 N ATOM 1805 CA VAL A 129 -3.513 3.835 -4.078 1.00 0.91 C ATOM 1806 C VAL A 129 -2.123 4.462 -3.992 1.00 0.88 C ATOM 1807 O VAL A 129 -1.824 5.416 -4.682 1.00 1.00 O ATOM 1808 CB VAL A 129 -3.551 2.831 -5.232 1.00 0.94 C ATOM 1809 CG1 VAL A 129 -2.664 1.631 -4.894 1.00 1.28 C ATOM 1810 CG2 VAL A 129 -4.989 2.354 -5.450 1.00 0.89 C ATOM 0 H VAL A 129 -4.173 5.678 -4.918 1.00 1.03 H new ATOM 0 HA VAL A 129 -3.749 3.316 -3.149 1.00 0.91 H new ATOM 0 HB VAL A 129 -3.186 3.311 -6.140 1.00 0.94 H new ATOM 0 HG11 VAL A 129 -2.691 0.916 -5.716 1.00 1.28 H new ATOM 0 HG12 VAL A 129 -1.639 1.968 -4.740 1.00 1.28 H new ATOM 0 HG13 VAL A 129 -3.029 1.153 -3.985 1.00 1.28 H new ATOM 0 HG21 VAL A 129 -5.014 1.639 -6.272 1.00 0.89 H new ATOM 0 HG22 VAL A 129 -5.355 1.876 -4.542 1.00 0.89 H new ATOM 0 HG23 VAL A 129 -5.623 3.207 -5.692 1.00 0.89 H new ATOM 1820 N ALA A 130 -1.271 3.951 -3.148 1.00 0.78 N ATOM 1821 CA ALA A 130 0.087 4.549 -3.033 1.00 0.85 C ATOM 1822 C ALA A 130 1.063 3.524 -2.453 1.00 0.75 C ATOM 1823 O ALA A 130 0.948 3.114 -1.314 1.00 0.73 O ATOM 1824 CB ALA A 130 0.018 5.775 -2.121 1.00 0.98 C ATOM 0 H ALA A 130 -1.454 3.153 -2.539 1.00 0.78 H new ATOM 0 HA ALA A 130 0.438 4.846 -4.021 1.00 0.85 H new ATOM 0 HB1 ALA A 130 1.010 6.219 -2.032 1.00 0.98 H new ATOM 0 HB2 ALA A 130 -0.670 6.506 -2.546 1.00 0.98 H new ATOM 0 HB3 ALA A 130 -0.335 5.475 -1.134 1.00 0.98 H new ATOM 1830 N PHE A 131 2.026 3.112 -3.230 1.00 0.75 N ATOM 1831 CA PHE A 131 3.018 2.118 -2.735 1.00 0.70 C ATOM 1832 C PHE A 131 4.247 2.855 -2.200 1.00 0.77 C ATOM 1833 O PHE A 131 5.195 3.095 -2.920 1.00 0.99 O ATOM 1834 CB PHE A 131 3.447 1.211 -3.891 1.00 0.70 C ATOM 1835 CG PHE A 131 2.433 0.108 -4.085 1.00 0.84 C ATOM 1836 CD1 PHE A 131 1.106 0.288 -3.680 1.00 1.29 C ATOM 1837 CD2 PHE A 131 2.827 -1.096 -4.678 1.00 1.49 C ATOM 1838 CE1 PHE A 131 0.172 -0.739 -3.867 1.00 1.54 C ATOM 1839 CE2 PHE A 131 1.894 -2.122 -4.865 1.00 1.73 C ATOM 1840 CZ PHE A 131 0.567 -1.944 -4.459 1.00 1.48 C ATOM 0 H PHE A 131 2.169 3.423 -4.191 1.00 0.75 H new ATOM 0 HA PHE A 131 2.569 1.520 -1.942 1.00 0.70 H new ATOM 0 HB2 PHE A 131 3.541 1.795 -4.807 1.00 0.70 H new ATOM 0 HB3 PHE A 131 4.428 0.783 -3.684 1.00 0.70 H new ATOM 0 HD1 PHE A 131 0.802 1.218 -3.223 1.00 1.29 H new ATOM 0 HD2 PHE A 131 3.851 -1.234 -4.992 1.00 1.49 H new ATOM 0 HE1 PHE A 131 -0.853 -0.601 -3.554 1.00 1.54 H new ATOM 0 HE2 PHE A 131 2.198 -3.052 -5.323 1.00 1.73 H new ATOM 0 HZ PHE A 131 -0.153 -2.737 -4.602 1.00 1.48 H new ATOM 1850 N HIS A 132 4.240 3.222 -0.947 1.00 0.82 N ATOM 1851 CA HIS A 132 5.412 3.950 -0.383 1.00 0.96 C ATOM 1852 C HIS A 132 6.304 2.975 0.388 1.00 1.03 C ATOM 1853 O HIS A 132 5.830 2.130 1.121 1.00 1.41 O ATOM 1854 CB HIS A 132 4.920 5.048 0.564 1.00 1.41 C ATOM 1855 CG HIS A 132 4.123 6.058 -0.213 1.00 1.36 C ATOM 1856 ND1 HIS A 132 3.717 7.263 0.341 1.00 1.70 N ATOM 1857 CD2 HIS A 132 3.647 6.059 -1.501 1.00 1.88 C ATOM 1858 CE1 HIS A 132 3.031 7.932 -0.602 1.00 1.96 C ATOM 1859 NE2 HIS A 132 2.958 7.244 -1.744 1.00 2.32 N ATOM 0 H HIS A 132 3.477 3.050 -0.292 1.00 0.82 H new ATOM 0 HA HIS A 132 5.985 4.396 -1.196 1.00 0.96 H new ATOM 0 HB2 HIS A 132 4.307 4.614 1.354 1.00 1.41 H new ATOM 0 HB3 HIS A 132 5.768 5.532 1.048 1.00 1.41 H new ATOM 0 HD1 HIS A 132 3.905 7.583 1.291 1.00 1.70 H new ATOM 0 HD2 HIS A 132 3.786 5.262 -2.216 1.00 1.88 H new ATOM 0 HE1 HIS A 132 2.592 8.908 -0.454 1.00 1.96 H new ATOM 1867 N LEU A 133 7.595 3.087 0.228 1.00 1.00 N ATOM 1868 CA LEU A 133 8.518 2.167 0.951 1.00 1.39 C ATOM 1869 C LEU A 133 9.596 2.983 1.668 1.00 1.62 C ATOM 1870 O LEU A 133 10.777 2.741 1.513 1.00 2.04 O ATOM 1871 CB LEU A 133 9.178 1.216 -0.049 1.00 1.58 C ATOM 1872 CG LEU A 133 8.216 0.937 -1.206 1.00 1.41 C ATOM 1873 CD1 LEU A 133 8.422 1.981 -2.306 1.00 1.52 C ATOM 1874 CD2 LEU A 133 8.490 -0.457 -1.771 1.00 2.11 C ATOM 0 H LEU A 133 8.050 3.775 -0.372 1.00 1.00 H new ATOM 0 HA LEU A 133 7.954 1.589 1.683 1.00 1.39 H new ATOM 0 HB2 LEU A 133 10.101 1.655 -0.428 1.00 1.58 H new ATOM 0 HB3 LEU A 133 9.448 0.283 0.445 1.00 1.58 H new ATOM 0 HG LEU A 133 7.189 0.989 -0.844 1.00 1.41 H new ATOM 0 HD11 LEU A 133 7.737 1.782 -3.130 1.00 1.52 H new ATOM 0 HD12 LEU A 133 8.228 2.976 -1.905 1.00 1.52 H new ATOM 0 HD13 LEU A 133 9.449 1.930 -2.668 1.00 1.52 H new ATOM 0 HD21 LEU A 133 7.805 -0.657 -2.595 1.00 2.11 H new ATOM 0 HD22 LEU A 133 9.517 -0.508 -2.132 1.00 2.11 H new ATOM 0 HD23 LEU A 133 8.343 -1.202 -0.989 1.00 2.11 H new ATOM 1886 N GLY A 134 9.200 3.949 2.451 1.00 1.46 N ATOM 1887 CA GLY A 134 10.201 4.782 3.179 1.00 1.77 C ATOM 1888 C GLY A 134 11.340 3.897 3.694 1.00 1.08 C ATOM 1889 O GLY A 134 11.122 2.947 4.417 1.00 0.83 O ATOM 0 H GLY A 134 8.225 4.198 2.619 1.00 1.46 H new ATOM 0 HA2 GLY A 134 10.598 5.551 2.516 1.00 1.77 H new ATOM 0 HA3 GLY A 134 9.722 5.295 4.013 1.00 1.77 H new ATOM 1893 N LYS A 135 12.551 4.214 3.324 1.00 1.23 N ATOM 1894 CA LYS A 135 13.727 3.413 3.779 1.00 1.09 C ATOM 1895 C LYS A 135 15.003 4.185 3.457 1.00 1.32 C ATOM 1896 O LYS A 135 15.959 3.633 2.956 1.00 1.76 O ATOM 1897 CB LYS A 135 13.754 2.063 3.053 1.00 1.93 C ATOM 1898 CG LYS A 135 12.993 1.000 3.858 1.00 2.37 C ATOM 1899 CD LYS A 135 11.810 0.480 3.038 1.00 3.36 C ATOM 1900 CE LYS A 135 11.325 -0.846 3.625 1.00 4.04 C ATOM 1901 NZ LYS A 135 10.459 -0.578 4.808 1.00 5.06 N ATOM 0 H LYS A 135 12.780 5.003 2.719 1.00 1.23 H new ATOM 0 HA LYS A 135 13.655 3.238 4.852 1.00 1.09 H new ATOM 0 HB2 LYS A 135 13.307 2.167 2.064 1.00 1.93 H new ATOM 0 HB3 LYS A 135 14.786 1.745 2.905 1.00 1.93 H new ATOM 0 HG2 LYS A 135 13.660 0.177 4.114 1.00 2.37 H new ATOM 0 HG3 LYS A 135 12.638 1.426 4.796 1.00 2.37 H new ATOM 0 HD2 LYS A 135 11.001 1.210 3.044 1.00 3.36 H new ATOM 0 HD3 LYS A 135 12.107 0.342 1.998 1.00 3.36 H new ATOM 0 HE2 LYS A 135 10.769 -1.407 2.874 1.00 4.04 H new ATOM 0 HE3 LYS A 135 12.177 -1.460 3.916 1.00 4.04 H new ATOM 0 HZ1 LYS A 135 9.618 -1.188 4.768 1.00 5.06 H new ATOM 0 HZ2 LYS A 135 10.990 -0.778 5.679 1.00 5.06 H new ATOM 0 HZ3 LYS A 135 10.164 0.419 4.803 1.00 5.06 H new ATOM 1915 N ALA A 136 15.027 5.461 3.735 1.00 1.56 N ATOM 1916 CA ALA A 136 16.249 6.246 3.422 1.00 1.90 C ATOM 1917 C ALA A 136 16.757 5.777 2.062 1.00 2.22 C ATOM 1918 O ALA A 136 17.907 5.953 1.714 1.00 2.64 O ATOM 1919 CB ALA A 136 17.315 5.992 4.489 1.00 2.27 C ATOM 0 H ALA A 136 14.262 5.986 4.160 1.00 1.56 H new ATOM 0 HA ALA A 136 16.028 7.313 3.404 1.00 1.90 H new ATOM 0 HB1 ALA A 136 18.209 6.570 4.255 1.00 2.27 H new ATOM 0 HB2 ALA A 136 16.933 6.294 5.464 1.00 2.27 H new ATOM 0 HB3 ALA A 136 17.564 4.931 4.509 1.00 2.27 H new ATOM 1925 N GLY A 137 15.895 5.161 1.300 1.00 2.17 N ATOM 1926 CA GLY A 137 16.301 4.647 -0.034 1.00 2.51 C ATOM 1927 C GLY A 137 17.246 3.463 0.162 1.00 1.81 C ATOM 1928 O GLY A 137 18.101 3.198 -0.658 1.00 2.11 O ATOM 0 H GLY A 137 14.920 4.992 1.548 1.00 2.17 H new ATOM 0 HA2 GLY A 137 15.424 4.340 -0.603 1.00 2.51 H new ATOM 0 HA3 GLY A 137 16.794 5.432 -0.607 1.00 2.51 H new ATOM 1932 N ALA A 138 17.111 2.754 1.251 1.00 1.23 N ATOM 1933 CA ALA A 138 18.017 1.595 1.495 1.00 1.37 C ATOM 1934 C ALA A 138 17.398 0.309 0.942 1.00 1.13 C ATOM 1935 O ALA A 138 17.221 -0.654 1.662 1.00 1.41 O ATOM 1936 CB ALA A 138 18.248 1.442 2.999 1.00 2.32 C ATOM 0 H ALA A 138 16.417 2.926 1.978 1.00 1.23 H new ATOM 0 HA ALA A 138 18.966 1.775 0.990 1.00 1.37 H new ATOM 0 HB1 ALA A 138 18.910 0.595 3.181 1.00 2.32 H new ATOM 0 HB2 ALA A 138 18.705 2.351 3.391 1.00 2.32 H new ATOM 0 HB3 ALA A 138 17.294 1.271 3.498 1.00 2.32 H new ATOM 1942 N TYR A 139 17.068 0.270 -0.323 1.00 0.82 N ATOM 1943 CA TYR A 139 16.465 -0.976 -0.882 1.00 0.75 C ATOM 1944 C TYR A 139 16.225 -0.826 -2.386 1.00 0.76 C ATOM 1945 O TYR A 139 16.890 -0.071 -3.066 1.00 0.83 O ATOM 1946 CB TYR A 139 15.124 -1.238 -0.193 1.00 0.74 C ATOM 1947 CG TYR A 139 14.163 -0.129 -0.544 1.00 0.79 C ATOM 1948 CD1 TYR A 139 14.366 1.160 -0.034 1.00 1.42 C ATOM 1949 CD2 TYR A 139 13.070 -0.386 -1.380 1.00 1.41 C ATOM 1950 CE1 TYR A 139 13.478 2.191 -0.362 1.00 1.61 C ATOM 1951 CE2 TYR A 139 12.182 0.646 -1.709 1.00 1.42 C ATOM 1952 CZ TYR A 139 12.386 1.933 -1.199 1.00 1.11 C ATOM 1953 OH TYR A 139 11.511 2.951 -1.523 1.00 1.32 O ATOM 0 H TYR A 139 17.188 1.036 -0.986 1.00 0.82 H new ATOM 0 HA TYR A 139 17.151 -1.806 -0.710 1.00 0.75 H new ATOM 0 HB2 TYR A 139 14.720 -2.200 -0.510 1.00 0.74 H new ATOM 0 HB3 TYR A 139 15.260 -1.290 0.887 1.00 0.74 H new ATOM 0 HD1 TYR A 139 15.208 1.358 0.613 1.00 1.42 H new ATOM 0 HD2 TYR A 139 12.911 -1.380 -1.771 1.00 1.41 H new ATOM 0 HE1 TYR A 139 13.635 3.185 0.030 1.00 1.61 H new ATOM 0 HE2 TYR A 139 11.340 0.449 -2.356 1.00 1.42 H new ATOM 0 HH TYR A 139 11.382 2.974 -2.494 1.00 1.32 H new ATOM 1963 N GLU A 140 15.270 -1.552 -2.902 1.00 0.80 N ATOM 1964 CA GLU A 140 14.954 -1.476 -4.357 1.00 0.87 C ATOM 1965 C GLU A 140 13.529 -1.995 -4.578 1.00 0.77 C ATOM 1966 O GLU A 140 13.001 -2.732 -3.770 1.00 0.73 O ATOM 1967 CB GLU A 140 15.945 -2.338 -5.143 1.00 1.13 C ATOM 1968 CG GLU A 140 16.795 -1.442 -6.047 1.00 0.93 C ATOM 1969 CD GLU A 140 18.056 -2.198 -6.473 1.00 0.94 C ATOM 1970 OE1 GLU A 140 18.307 -3.253 -5.914 1.00 1.25 O ATOM 1971 OE2 GLU A 140 18.747 -1.711 -7.352 1.00 1.65 O ATOM 0 H GLU A 140 14.689 -2.201 -2.371 1.00 0.80 H new ATOM 0 HA GLU A 140 15.030 -0.445 -4.701 1.00 0.87 H new ATOM 0 HB2 GLU A 140 16.585 -2.892 -4.457 1.00 1.13 H new ATOM 0 HB3 GLU A 140 15.408 -3.073 -5.743 1.00 1.13 H new ATOM 0 HG2 GLU A 140 16.222 -1.145 -6.925 1.00 0.93 H new ATOM 0 HG3 GLU A 140 17.067 -0.528 -5.519 1.00 0.93 H new ATOM 1978 N PHE A 141 12.897 -1.613 -5.654 1.00 0.77 N ATOM 1979 CA PHE A 141 11.503 -2.088 -5.899 1.00 0.75 C ATOM 1980 C PHE A 141 11.347 -2.530 -7.357 1.00 0.72 C ATOM 1981 O PHE A 141 11.236 -1.712 -8.249 1.00 0.73 O ATOM 1982 CB PHE A 141 10.527 -0.946 -5.607 1.00 0.79 C ATOM 1983 CG PHE A 141 9.148 -1.505 -5.355 1.00 0.81 C ATOM 1984 CD1 PHE A 141 8.926 -2.361 -4.269 1.00 1.17 C ATOM 1985 CD2 PHE A 141 8.089 -1.166 -6.205 1.00 1.64 C ATOM 1986 CE1 PHE A 141 7.646 -2.875 -4.034 1.00 1.26 C ATOM 1987 CE2 PHE A 141 6.809 -1.681 -5.971 1.00 1.68 C ATOM 1988 CZ PHE A 141 6.587 -2.536 -4.885 1.00 1.00 C ATOM 0 H PHE A 141 13.281 -0.997 -6.370 1.00 0.77 H new ATOM 0 HA PHE A 141 11.291 -2.935 -5.247 1.00 0.75 H new ATOM 0 HB2 PHE A 141 10.864 -0.380 -4.739 1.00 0.79 H new ATOM 0 HB3 PHE A 141 10.501 -0.254 -6.448 1.00 0.79 H new ATOM 0 HD1 PHE A 141 9.743 -2.624 -3.613 1.00 1.17 H new ATOM 0 HD2 PHE A 141 8.260 -0.506 -7.043 1.00 1.64 H new ATOM 0 HE1 PHE A 141 7.475 -3.534 -3.196 1.00 1.26 H new ATOM 0 HE2 PHE A 141 5.993 -1.419 -6.628 1.00 1.68 H new ATOM 0 HZ PHE A 141 5.599 -2.934 -4.704 1.00 1.00 H new ATOM 1998 N CYS A 142 11.339 -3.812 -7.609 1.00 0.70 N ATOM 1999 CA CYS A 142 11.195 -4.297 -9.007 1.00 0.68 C ATOM 2000 C CYS A 142 9.792 -4.875 -9.224 1.00 0.68 C ATOM 2001 O CYS A 142 9.456 -5.920 -8.704 1.00 0.74 O ATOM 2002 CB CYS A 142 12.228 -5.394 -9.257 1.00 0.68 C ATOM 2003 SG CYS A 142 13.895 -4.747 -8.975 1.00 0.72 S ATOM 0 H CYS A 142 11.426 -4.543 -6.904 1.00 0.70 H new ATOM 0 HA CYS A 142 11.349 -3.465 -9.694 1.00 0.68 H new ATOM 0 HB2 CYS A 142 12.040 -6.240 -8.596 1.00 0.68 H new ATOM 0 HB3 CYS A 142 12.140 -5.763 -10.279 1.00 0.68 H new ATOM 2008 N ILE A 143 8.976 -4.213 -9.998 1.00 0.83 N ATOM 2009 CA ILE A 143 7.605 -4.736 -10.260 1.00 0.89 C ATOM 2010 C ILE A 143 7.256 -4.534 -11.727 1.00 0.92 C ATOM 2011 O ILE A 143 7.663 -3.581 -12.361 1.00 0.91 O ATOM 2012 CB ILE A 143 6.592 -4.015 -9.372 1.00 0.95 C ATOM 2013 CG1 ILE A 143 5.196 -4.075 -10.003 1.00 1.11 C ATOM 2014 CG2 ILE A 143 7.015 -2.558 -9.178 1.00 0.92 C ATOM 2015 CD1 ILE A 143 4.958 -2.838 -10.872 1.00 1.22 C ATOM 0 H ILE A 143 9.200 -3.332 -10.461 1.00 0.83 H new ATOM 0 HA ILE A 143 7.574 -5.801 -10.029 1.00 0.89 H new ATOM 0 HB ILE A 143 6.559 -4.510 -8.401 1.00 0.95 H new ATOM 0 HG12 ILE A 143 5.100 -4.977 -10.607 1.00 1.11 H new ATOM 0 HG13 ILE A 143 4.438 -4.132 -9.222 1.00 1.11 H new ATOM 0 HG21 ILE A 143 6.289 -2.050 -8.544 1.00 0.92 H new ATOM 0 HG22 ILE A 143 7.996 -2.524 -8.705 1.00 0.92 H new ATOM 0 HG23 ILE A 143 7.062 -2.061 -10.147 1.00 0.92 H new ATOM 0 HD11 ILE A 143 3.964 -2.891 -11.315 1.00 1.22 H new ATOM 0 HD12 ILE A 143 5.034 -1.941 -10.257 1.00 1.22 H new ATOM 0 HD13 ILE A 143 5.707 -2.800 -11.663 1.00 1.22 H new ATOM 2027 N SER A 144 6.507 -5.447 -12.266 1.00 1.00 N ATOM 2028 CA SER A 144 6.118 -5.351 -13.699 1.00 1.07 C ATOM 2029 C SER A 144 4.636 -5.690 -13.854 1.00 1.14 C ATOM 2030 O SER A 144 4.080 -5.600 -14.930 1.00 1.33 O ATOM 2031 CB SER A 144 6.948 -6.340 -14.517 1.00 1.17 C ATOM 2032 OG SER A 144 6.267 -7.587 -14.575 1.00 1.28 O ATOM 0 H SER A 144 6.143 -6.263 -11.774 1.00 1.00 H new ATOM 0 HA SER A 144 6.298 -4.336 -14.054 1.00 1.07 H new ATOM 0 HB2 SER A 144 7.109 -5.953 -15.523 1.00 1.17 H new ATOM 0 HB3 SER A 144 7.931 -6.470 -14.064 1.00 1.17 H new ATOM 0 HG SER A 144 5.801 -7.666 -15.434 1.00 1.28 H new ATOM 2038 N GLN A 145 3.990 -6.083 -12.791 1.00 1.08 N ATOM 2039 CA GLN A 145 2.544 -6.429 -12.903 1.00 1.29 C ATOM 2040 C GLN A 145 1.788 -5.930 -11.671 1.00 1.38 C ATOM 2041 O GLN A 145 2.336 -5.830 -10.591 1.00 1.99 O ATOM 2042 CB GLN A 145 2.386 -7.947 -13.019 1.00 1.40 C ATOM 2043 CG GLN A 145 3.721 -8.570 -13.433 1.00 1.94 C ATOM 2044 CD GLN A 145 3.588 -10.095 -13.454 1.00 2.35 C ATOM 2045 OE1 GLN A 145 2.493 -10.619 -13.520 1.00 2.30 O ATOM 2046 NE2 GLN A 145 4.663 -10.833 -13.401 1.00 3.30 N ATOM 0 H GLN A 145 4.394 -6.179 -11.860 1.00 1.08 H new ATOM 0 HA GLN A 145 2.133 -5.950 -13.792 1.00 1.29 H new ATOM 0 HB2 GLN A 145 2.059 -8.363 -12.066 1.00 1.40 H new ATOM 0 HB3 GLN A 145 1.617 -8.188 -13.753 1.00 1.40 H new ATOM 0 HG2 GLN A 145 4.014 -8.206 -14.418 1.00 1.94 H new ATOM 0 HG3 GLN A 145 4.505 -8.272 -12.737 1.00 1.94 H new ATOM 0 HE21 GLN A 145 5.582 -10.393 -13.346 1.00 3.30 H new ATOM 0 HE22 GLN A 145 4.585 -11.850 -13.415 1.00 3.30 H new ATOM 2055 N VAL A 146 0.528 -5.621 -11.825 1.00 1.54 N ATOM 2056 CA VAL A 146 -0.269 -5.132 -10.667 1.00 1.53 C ATOM 2057 C VAL A 146 -1.760 -5.245 -10.989 1.00 1.48 C ATOM 2058 O VAL A 146 -2.239 -4.699 -11.962 1.00 1.44 O ATOM 2059 CB VAL A 146 0.085 -3.670 -10.382 1.00 1.59 C ATOM 2060 CG1 VAL A 146 -0.292 -2.808 -11.587 1.00 2.26 C ATOM 2061 CG2 VAL A 146 -0.688 -3.191 -9.151 1.00 2.16 C ATOM 0 H VAL A 146 0.017 -5.687 -12.705 1.00 1.54 H new ATOM 0 HA VAL A 146 -0.041 -5.737 -9.789 1.00 1.53 H new ATOM 0 HB VAL A 146 1.156 -3.585 -10.197 1.00 1.59 H new ATOM 0 HG11 VAL A 146 -0.040 -1.767 -11.383 1.00 2.26 H new ATOM 0 HG12 VAL A 146 0.257 -3.149 -12.465 1.00 2.26 H new ATOM 0 HG13 VAL A 146 -1.363 -2.892 -11.774 1.00 2.26 H new ATOM 0 HG21 VAL A 146 -0.437 -2.150 -8.946 1.00 2.16 H new ATOM 0 HG22 VAL A 146 -1.759 -3.277 -9.338 1.00 2.16 H new ATOM 0 HG23 VAL A 146 -0.419 -3.805 -8.291 1.00 2.16 H new ATOM 2071 N SER A 147 -2.500 -5.954 -10.178 1.00 1.63 N ATOM 2072 CA SER A 147 -3.958 -6.101 -10.440 1.00 1.76 C ATOM 2073 C SER A 147 -4.709 -6.223 -9.113 1.00 2.04 C ATOM 2074 O SER A 147 -4.262 -6.881 -8.194 1.00 2.17 O ATOM 2075 CB SER A 147 -4.201 -7.354 -11.282 1.00 2.02 C ATOM 2076 OG SER A 147 -5.218 -7.087 -12.238 1.00 2.76 O ATOM 0 H SER A 147 -2.157 -6.436 -9.347 1.00 1.63 H new ATOM 0 HA SER A 147 -4.319 -5.225 -10.979 1.00 1.76 H new ATOM 0 HB2 SER A 147 -3.281 -7.652 -11.786 1.00 2.02 H new ATOM 0 HB3 SER A 147 -4.497 -8.185 -10.642 1.00 2.02 H new ATOM 0 HG SER A 147 -5.375 -7.888 -12.781 1.00 2.76 H new ATOM 2082 N LEU A 148 -5.847 -5.594 -9.006 1.00 2.31 N ATOM 2083 CA LEU A 148 -6.626 -5.675 -7.738 1.00 2.65 C ATOM 2084 C LEU A 148 -7.928 -6.440 -7.989 1.00 2.54 C ATOM 2085 O LEU A 148 -8.479 -6.409 -9.071 1.00 3.02 O ATOM 2086 CB LEU A 148 -6.944 -4.260 -7.244 1.00 3.24 C ATOM 2087 CG LEU A 148 -8.273 -3.787 -7.836 1.00 3.51 C ATOM 2088 CD1 LEU A 148 -9.435 -4.401 -7.050 1.00 4.57 C ATOM 2089 CD2 LEU A 148 -8.349 -2.261 -7.753 1.00 3.26 C ATOM 0 H LEU A 148 -6.271 -5.028 -9.741 1.00 2.31 H new ATOM 0 HA LEU A 148 -6.041 -6.198 -6.981 1.00 2.65 H new ATOM 0 HB2 LEU A 148 -6.997 -4.249 -6.155 1.00 3.24 H new ATOM 0 HB3 LEU A 148 -6.145 -3.577 -7.531 1.00 3.24 H new ATOM 0 HG LEU A 148 -8.339 -4.100 -8.878 1.00 3.51 H new ATOM 0 HD11 LEU A 148 -10.380 -4.062 -7.474 1.00 4.57 H new ATOM 0 HD12 LEU A 148 -9.380 -5.488 -7.109 1.00 4.57 H new ATOM 0 HD13 LEU A 148 -9.373 -4.090 -6.007 1.00 4.57 H new ATOM 0 HD21 LEU A 148 -9.295 -1.920 -8.174 1.00 3.26 H new ATOM 0 HD22 LEU A 148 -8.283 -1.950 -6.711 1.00 3.26 H new ATOM 0 HD23 LEU A 148 -7.523 -1.824 -8.315 1.00 3.26 H new ATOM 2101 N THR A 149 -8.425 -7.128 -6.998 1.00 2.09 N ATOM 2102 CA THR A 149 -9.690 -7.892 -7.184 1.00 2.24 C ATOM 2103 C THR A 149 -10.216 -8.350 -5.822 1.00 1.93 C ATOM 2104 O THR A 149 -9.808 -7.857 -4.789 1.00 1.84 O ATOM 2105 CB THR A 149 -9.422 -9.115 -8.064 1.00 2.53 C ATOM 2106 OG1 THR A 149 -10.412 -10.103 -7.814 1.00 3.07 O ATOM 2107 CG2 THR A 149 -8.039 -9.684 -7.744 1.00 2.42 C ATOM 0 H THR A 149 -8.010 -7.194 -6.069 1.00 2.09 H new ATOM 0 HA THR A 149 -10.432 -7.254 -7.664 1.00 2.24 H new ATOM 0 HB THR A 149 -9.457 -8.822 -9.113 1.00 2.53 H new ATOM 0 HG1 THR A 149 -11.025 -10.153 -8.577 1.00 3.07 H new ATOM 0 HG21 THR A 149 -7.850 -10.555 -8.372 1.00 2.42 H new ATOM 0 HG22 THR A 149 -7.280 -8.926 -7.937 1.00 2.42 H new ATOM 0 HG23 THR A 149 -8.000 -9.977 -6.695 1.00 2.42 H new ATOM 2115 N THR A 150 -11.122 -9.290 -5.812 1.00 1.92 N ATOM 2116 CA THR A 150 -11.676 -9.780 -4.519 1.00 1.72 C ATOM 2117 C THR A 150 -12.576 -10.988 -4.779 1.00 1.75 C ATOM 2118 O THR A 150 -12.560 -11.959 -4.049 1.00 2.00 O ATOM 2119 CB THR A 150 -12.486 -8.661 -3.858 1.00 1.59 C ATOM 2120 OG1 THR A 150 -12.416 -8.800 -2.446 1.00 1.52 O ATOM 2121 CG2 THR A 150 -13.948 -8.736 -4.306 1.00 1.66 C ATOM 0 H THR A 150 -11.502 -9.740 -6.645 1.00 1.92 H new ATOM 0 HA THR A 150 -10.862 -10.074 -3.857 1.00 1.72 H new ATOM 0 HB THR A 150 -12.072 -7.697 -4.154 1.00 1.59 H new ATOM 0 HG1 THR A 150 -12.376 -7.913 -2.032 1.00 1.52 H new ATOM 0 HG21 THR A 150 -14.516 -7.936 -3.831 1.00 1.66 H new ATOM 0 HG22 THR A 150 -14.003 -8.626 -5.389 1.00 1.66 H new ATOM 0 HG23 THR A 150 -14.368 -9.700 -4.018 1.00 1.66 H new