USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 969 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 SER OG : rot -160:sc= 1.19 USER MOD Set 1.2: A 147 SER OG : rot -128:sc= 0.163! USER MOD Set 2.1: A 27 THR OG1 : rot 68:sc= -0.948! USER MOD Set 2.2: A 28 SER OG : rot 81:sc= -2.13! USER MOD Single : A 12 HIS : no HE2:sc= -2.22 X(o=-2.2,f=-2.1) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.44! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 39:sc= -0.143 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 173:sc= -0.0343 (180deg=-0.0776) USER MOD Single : A 45 GLN : amide:sc= -5.85! C(o=-5.8!,f=-12!) USER MOD Single : A 47 ASN : amide:sc= -12.9! C(o=-13!,f=-8.7!) USER MOD Single : A 55 TYR OH : rot 180:sc= -1.15 USER MOD Single : A 56 ASN : amide:sc= -3.21 K(o=-3.2,f=-1.5) USER MOD Single : A 65 SER OG : rot 180:sc= -2.61 USER MOD Single : A 66 TYR OH : rot 180:sc= 0.89 USER MOD Single : A 71 THR OG1 : rot 40:sc= -9.13! USER MOD Single : A 73 SER OG : rot 130:sc= -0.936 USER MOD Single : A 75 THR OG1 : rot 180:sc= -1.48 USER MOD Single : A 78 MET CE :methyl -126:sc= -5.44! (180deg=-8.88!) USER MOD Single : A 93 THR OG1 : rot 131:sc= 0.553 USER MOD Single : A 97 GLN : amide:sc= -14.9! C(o=-15!,f=-11!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.508 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0488 USER MOD Single : A 111 TYR OH : rot 130:sc= -2.78! USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0643 USER MOD Single : A 115 SER OG : rot 169:sc= -3.01! USER MOD Single : A 116 ASN : amide:sc= -1.6 K(o=-1.6,f=-0.92) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0575 USER MOD Single : A 128 GLN : amide:sc= -2.79! C(o=-2.8!,f=-11!) USER MOD Single : A 132 HIS : no HD1:sc= -8.21! C(o=-8.2!,f=-13!) USER MOD Single : A 135 LYS NZ :NH3+ -116:sc= -4.47! (180deg=-8.02!) USER MOD Single : A 139 TYR OH : rot -120:sc= -4.83! USER MOD Single : A 144 SER OG : rot 180:sc= -0.844 USER MOD Single : A 145 GLN : amide:sc= -3! C(o=-3!,f=-2.7!) USER MOD Single : A 149 THR OG1 : rot 85:sc= -0.213! USER MOD Single : A 150 THR OG1 : rot 83:sc= 0.762 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 7 -13.296 -8.789 -10.450 1.00 2.11 N ATOM 82 CA VAL A 7 -13.651 -7.392 -10.827 1.00 2.12 C ATOM 83 C VAL A 7 -12.392 -6.522 -10.805 1.00 2.11 C ATOM 84 O VAL A 7 -12.074 -5.899 -9.811 1.00 2.83 O ATOM 85 CB VAL A 7 -14.671 -6.838 -9.830 1.00 2.16 C ATOM 86 CG1 VAL A 7 -15.281 -5.550 -10.385 1.00 2.17 C ATOM 87 CG2 VAL A 7 -15.777 -7.871 -9.609 1.00 2.42 C ATOM 0 HA VAL A 7 -14.081 -7.384 -11.829 1.00 2.12 H new ATOM 0 HB VAL A 7 -14.175 -6.625 -8.883 1.00 2.16 H new ATOM 0 HG11 VAL A 7 -16.008 -5.156 -9.674 1.00 2.17 H new ATOM 0 HG12 VAL A 7 -14.493 -4.814 -10.545 1.00 2.17 H new ATOM 0 HG13 VAL A 7 -15.778 -5.761 -11.332 1.00 2.17 H new ATOM 0 HG21 VAL A 7 -16.505 -7.478 -8.899 1.00 2.42 H new ATOM 0 HG22 VAL A 7 -16.272 -8.082 -10.557 1.00 2.42 H new ATOM 0 HG23 VAL A 7 -15.343 -8.789 -9.214 1.00 2.42 H new ATOM 97 N GLU A 8 -11.673 -6.474 -11.893 1.00 1.96 N ATOM 98 CA GLU A 8 -10.436 -5.645 -11.933 1.00 2.32 C ATOM 99 C GLU A 8 -10.792 -4.216 -12.347 1.00 2.30 C ATOM 100 O GLU A 8 -10.923 -3.914 -13.517 1.00 2.59 O ATOM 101 CB GLU A 8 -9.455 -6.241 -12.946 1.00 3.06 C ATOM 102 CG GLU A 8 -8.050 -5.698 -12.676 1.00 3.55 C ATOM 103 CD GLU A 8 -7.599 -6.119 -11.277 1.00 4.20 C ATOM 104 OE1 GLU A 8 -7.931 -7.222 -10.875 1.00 4.42 O ATOM 105 OE2 GLU A 8 -6.927 -5.331 -10.630 1.00 4.75 O ATOM 0 H GLU A 8 -11.889 -6.973 -12.756 1.00 1.96 H new ATOM 0 HA GLU A 8 -9.975 -5.632 -10.945 1.00 2.32 H new ATOM 0 HB2 GLU A 8 -9.456 -7.329 -12.873 1.00 3.06 H new ATOM 0 HB3 GLU A 8 -9.765 -5.989 -13.960 1.00 3.06 H new ATOM 0 HG2 GLU A 8 -7.353 -6.077 -13.423 1.00 3.55 H new ATOM 0 HG3 GLU A 8 -8.047 -4.611 -12.759 1.00 3.55 H new ATOM 112 N LEU A 9 -10.949 -3.335 -11.398 1.00 2.76 N ATOM 113 CA LEU A 9 -11.294 -1.927 -11.738 1.00 3.48 C ATOM 114 C LEU A 9 -10.207 -1.340 -12.640 1.00 3.43 C ATOM 115 O LEU A 9 -10.477 -0.557 -13.528 1.00 4.12 O ATOM 116 CB LEU A 9 -11.390 -1.105 -10.452 1.00 3.72 C ATOM 117 CG LEU A 9 -12.824 -1.149 -9.921 1.00 4.22 C ATOM 118 CD1 LEU A 9 -12.803 -1.290 -8.398 1.00 4.95 C ATOM 119 CD2 LEU A 9 -13.547 0.146 -10.301 1.00 3.49 C ATOM 0 H LEU A 9 -10.853 -3.530 -10.401 1.00 2.76 H new ATOM 0 HA LEU A 9 -12.251 -1.901 -12.260 1.00 3.48 H new ATOM 0 HB2 LEU A 9 -10.702 -1.499 -9.704 1.00 3.72 H new ATOM 0 HB3 LEU A 9 -11.094 -0.074 -10.645 1.00 3.72 H new ATOM 0 HG LEU A 9 -13.346 -2.001 -10.357 1.00 4.22 H new ATOM 0 HD11 LEU A 9 -13.825 -1.321 -8.021 1.00 4.95 H new ATOM 0 HD12 LEU A 9 -12.287 -2.211 -8.125 1.00 4.95 H new ATOM 0 HD13 LEU A 9 -12.281 -0.439 -7.961 1.00 4.95 H new ATOM 0 HD21 LEU A 9 -14.569 0.116 -9.923 1.00 3.49 H new ATOM 0 HD22 LEU A 9 -13.023 0.997 -9.865 1.00 3.49 H new ATOM 0 HD23 LEU A 9 -13.564 0.248 -11.386 1.00 3.49 H new ATOM 131 N LEU A 10 -8.976 -1.716 -12.420 1.00 2.81 N ATOM 132 CA LEU A 10 -7.870 -1.183 -13.265 1.00 2.72 C ATOM 133 C LEU A 10 -7.334 -2.317 -14.142 1.00 2.86 C ATOM 134 O LEU A 10 -6.477 -3.073 -13.730 1.00 2.83 O ATOM 135 CB LEU A 10 -6.753 -0.662 -12.352 1.00 2.41 C ATOM 136 CG LEU A 10 -5.641 0.062 -13.132 1.00 2.12 C ATOM 137 CD1 LEU A 10 -4.457 -0.886 -13.319 1.00 1.99 C ATOM 138 CD2 LEU A 10 -6.129 0.547 -14.503 1.00 2.07 C ATOM 0 H LEU A 10 -8.689 -2.369 -11.691 1.00 2.81 H new ATOM 0 HA LEU A 10 -8.230 -0.370 -13.896 1.00 2.72 H new ATOM 0 HB2 LEU A 10 -7.179 0.020 -11.616 1.00 2.41 H new ATOM 0 HB3 LEU A 10 -6.321 -1.497 -11.800 1.00 2.41 H new ATOM 0 HG LEU A 10 -5.341 0.937 -12.556 1.00 2.12 H new ATOM 0 HD11 LEU A 10 -3.667 -0.377 -13.871 1.00 1.99 H new ATOM 0 HD12 LEU A 10 -4.079 -1.192 -12.344 1.00 1.99 H new ATOM 0 HD13 LEU A 10 -4.780 -1.766 -13.876 1.00 1.99 H new ATOM 0 HD21 LEU A 10 -5.314 1.053 -15.021 1.00 2.07 H new ATOM 0 HD22 LEU A 10 -6.461 -0.307 -15.094 1.00 2.07 H new ATOM 0 HD23 LEU A 10 -6.959 1.240 -14.369 1.00 2.07 H new ATOM 150 N PRO A 11 -7.834 -2.434 -15.342 1.00 3.10 N ATOM 151 CA PRO A 11 -7.394 -3.495 -16.286 1.00 3.32 C ATOM 152 C PRO A 11 -6.038 -3.163 -16.911 1.00 2.96 C ATOM 153 O PRO A 11 -5.720 -3.596 -17.999 1.00 3.09 O ATOM 154 CB PRO A 11 -8.492 -3.519 -17.350 1.00 3.83 C ATOM 155 CG PRO A 11 -9.112 -2.160 -17.325 1.00 3.73 C ATOM 156 CD PRO A 11 -8.870 -1.571 -15.932 1.00 3.29 C ATOM 0 HA PRO A 11 -7.260 -4.457 -15.792 1.00 3.32 H new ATOM 0 HB2 PRO A 11 -8.079 -3.742 -18.334 1.00 3.83 H new ATOM 0 HB3 PRO A 11 -9.231 -4.290 -17.132 1.00 3.83 H new ATOM 0 HG2 PRO A 11 -8.672 -1.523 -18.093 1.00 3.73 H new ATOM 0 HG3 PRO A 11 -10.180 -2.221 -17.535 1.00 3.73 H new ATOM 0 HD2 PRO A 11 -8.537 -0.535 -15.992 1.00 3.29 H new ATOM 0 HD3 PRO A 11 -9.781 -1.579 -15.334 1.00 3.29 H new ATOM 164 N HIS A 12 -5.239 -2.393 -16.224 1.00 2.52 N ATOM 165 CA HIS A 12 -3.903 -2.029 -16.774 1.00 2.16 C ATOM 166 C HIS A 12 -2.807 -2.522 -15.828 1.00 1.83 C ATOM 167 O HIS A 12 -2.458 -1.865 -14.869 1.00 1.69 O ATOM 168 CB HIS A 12 -3.806 -0.509 -16.920 1.00 2.13 C ATOM 169 CG HIS A 12 -2.630 -0.164 -17.792 1.00 1.93 C ATOM 170 ND1 HIS A 12 -2.671 -0.278 -19.172 1.00 1.98 N ATOM 171 CD2 HIS A 12 -1.370 0.295 -17.492 1.00 1.81 C ATOM 172 CE1 HIS A 12 -1.473 0.104 -19.648 1.00 1.94 C ATOM 173 NE2 HIS A 12 -0.642 0.463 -18.667 1.00 1.82 N ATOM 0 H HIS A 12 -5.453 -2.001 -15.307 1.00 2.52 H new ATOM 0 HA HIS A 12 -3.775 -2.496 -17.751 1.00 2.16 H new ATOM 0 HB2 HIS A 12 -4.724 -0.115 -17.356 1.00 2.13 H new ATOM 0 HB3 HIS A 12 -3.694 -0.045 -15.940 1.00 2.13 H new ATOM 0 HD1 HIS A 12 -3.466 -0.595 -19.727 1.00 1.98 H new ATOM 0 HD2 HIS A 12 -1.001 0.495 -16.497 1.00 1.81 H new ATOM 0 HE1 HIS A 12 -1.214 0.119 -20.697 1.00 1.94 H new ATOM 181 N THR A 13 -2.259 -3.676 -16.093 1.00 1.82 N ATOM 182 CA THR A 13 -1.184 -4.211 -15.210 1.00 1.56 C ATOM 183 C THR A 13 0.002 -4.652 -16.068 1.00 1.39 C ATOM 184 O THR A 13 0.491 -5.758 -15.948 1.00 1.58 O ATOM 185 CB THR A 13 -1.720 -5.409 -14.425 1.00 1.72 C ATOM 186 OG1 THR A 13 -0.650 -6.042 -13.740 1.00 1.59 O ATOM 187 CG2 THR A 13 -2.373 -6.404 -15.386 1.00 1.97 C ATOM 0 H THR A 13 -2.509 -4.272 -16.882 1.00 1.82 H new ATOM 0 HA THR A 13 -0.862 -3.436 -14.514 1.00 1.56 H new ATOM 0 HB THR A 13 -2.462 -5.066 -13.704 1.00 1.72 H new ATOM 0 HG1 THR A 13 -0.993 -6.809 -13.236 1.00 1.59 H new ATOM 0 HG21 THR A 13 -2.754 -7.257 -14.824 1.00 1.97 H new ATOM 0 HG22 THR A 13 -3.196 -5.918 -15.909 1.00 1.97 H new ATOM 0 HG23 THR A 13 -1.635 -6.748 -16.111 1.00 1.97 H new ATOM 195 N SER A 14 0.466 -3.798 -16.938 1.00 1.20 N ATOM 196 CA SER A 14 1.617 -4.172 -17.807 1.00 1.07 C ATOM 197 C SER A 14 2.828 -3.300 -17.466 1.00 1.04 C ATOM 198 O SER A 14 3.422 -2.685 -18.328 1.00 1.10 O ATOM 199 CB SER A 14 1.237 -3.962 -19.273 1.00 1.14 C ATOM 200 OG SER A 14 -0.078 -4.453 -19.492 1.00 1.96 O ATOM 0 H SER A 14 0.098 -2.858 -17.085 1.00 1.20 H new ATOM 0 HA SER A 14 1.868 -5.219 -17.640 1.00 1.07 H new ATOM 0 HB2 SER A 14 1.289 -2.903 -19.526 1.00 1.14 H new ATOM 0 HB3 SER A 14 1.944 -4.480 -19.922 1.00 1.14 H new ATOM 0 HG SER A 14 -0.325 -4.318 -20.431 1.00 1.96 H new ATOM 206 N PHE A 15 3.204 -3.247 -16.217 1.00 1.01 N ATOM 207 CA PHE A 15 4.382 -2.420 -15.831 1.00 1.00 C ATOM 208 C PHE A 15 5.645 -3.038 -16.438 1.00 1.00 C ATOM 209 O PHE A 15 6.746 -2.800 -15.981 1.00 0.98 O ATOM 210 CB PHE A 15 4.515 -2.395 -14.305 1.00 0.98 C ATOM 211 CG PHE A 15 3.612 -1.332 -13.727 1.00 0.88 C ATOM 212 CD1 PHE A 15 2.314 -1.164 -14.224 1.00 1.74 C ATOM 213 CD2 PHE A 15 4.072 -0.515 -12.685 1.00 1.11 C ATOM 214 CE1 PHE A 15 1.477 -0.182 -13.681 1.00 1.76 C ATOM 215 CE2 PHE A 15 3.236 0.468 -12.143 1.00 1.14 C ATOM 216 CZ PHE A 15 1.938 0.634 -12.641 1.00 0.95 C ATOM 0 H PHE A 15 2.747 -3.739 -15.449 1.00 1.01 H new ATOM 0 HA PHE A 15 4.251 -1.402 -16.199 1.00 1.00 H new ATOM 0 HB2 PHE A 15 4.254 -3.370 -13.893 1.00 0.98 H new ATOM 0 HB3 PHE A 15 5.550 -2.197 -14.025 1.00 0.98 H new ATOM 0 HD1 PHE A 15 1.958 -1.793 -15.027 1.00 1.74 H new ATOM 0 HD2 PHE A 15 5.073 -0.644 -12.300 1.00 1.11 H new ATOM 0 HE1 PHE A 15 0.476 -0.054 -14.064 1.00 1.76 H new ATOM 0 HE2 PHE A 15 3.592 1.098 -11.341 1.00 1.14 H new ATOM 0 HZ PHE A 15 1.292 1.392 -12.223 1.00 0.95 H new ATOM 226 N ALA A 16 5.492 -3.836 -17.459 1.00 1.06 N ATOM 227 CA ALA A 16 6.679 -4.479 -18.091 1.00 1.09 C ATOM 228 C ALA A 16 7.224 -3.588 -19.208 1.00 1.10 C ATOM 229 O ALA A 16 8.327 -3.084 -19.128 1.00 1.18 O ATOM 230 CB ALA A 16 6.270 -5.834 -18.674 1.00 1.14 C ATOM 0 H ALA A 16 4.595 -4.071 -17.884 1.00 1.06 H new ATOM 0 HA ALA A 16 7.454 -4.620 -17.338 1.00 1.09 H new ATOM 0 HB1 ALA A 16 7.136 -6.307 -19.137 1.00 1.14 H new ATOM 0 HB2 ALA A 16 5.890 -6.473 -17.877 1.00 1.14 H new ATOM 0 HB3 ALA A 16 5.492 -5.688 -19.424 1.00 1.14 H new ATOM 236 N GLU A 17 6.469 -3.396 -20.255 1.00 1.15 N ATOM 237 CA GLU A 17 6.953 -2.548 -21.378 1.00 1.19 C ATOM 238 C GLU A 17 6.161 -1.240 -21.422 1.00 1.29 C ATOM 239 O GLU A 17 5.835 -0.739 -22.478 1.00 1.41 O ATOM 240 CB GLU A 17 6.761 -3.301 -22.694 1.00 1.32 C ATOM 241 CG GLU A 17 8.016 -4.118 -23.004 1.00 1.41 C ATOM 242 CD GLU A 17 7.615 -5.460 -23.617 1.00 1.67 C ATOM 243 OE1 GLU A 17 6.952 -6.225 -22.937 1.00 1.96 O ATOM 244 OE2 GLU A 17 7.977 -5.700 -24.758 1.00 2.13 O ATOM 0 H GLU A 17 5.537 -3.791 -20.380 1.00 1.15 H new ATOM 0 HA GLU A 17 8.009 -2.322 -21.231 1.00 1.19 H new ATOM 0 HB2 GLU A 17 5.894 -3.958 -22.626 1.00 1.32 H new ATOM 0 HB3 GLU A 17 6.564 -2.597 -23.502 1.00 1.32 H new ATOM 0 HG2 GLU A 17 8.658 -3.569 -23.693 1.00 1.41 H new ATOM 0 HG3 GLU A 17 8.591 -4.280 -22.092 1.00 1.41 H new ATOM 251 N SER A 18 5.852 -0.679 -20.284 1.00 1.41 N ATOM 252 CA SER A 18 5.086 0.599 -20.272 1.00 1.64 C ATOM 253 C SER A 18 4.641 0.920 -18.845 1.00 1.51 C ATOM 254 O SER A 18 4.313 0.041 -18.073 1.00 1.30 O ATOM 255 CB SER A 18 3.856 0.464 -21.170 1.00 2.02 C ATOM 256 OG SER A 18 3.319 -0.846 -21.037 1.00 2.26 O ATOM 0 H SER A 18 6.096 -1.049 -19.365 1.00 1.41 H new ATOM 0 HA SER A 18 5.722 1.404 -20.641 1.00 1.64 H new ATOM 0 HB2 SER A 18 3.107 1.206 -20.894 1.00 2.02 H new ATOM 0 HB3 SER A 18 4.127 0.655 -22.208 1.00 2.02 H new ATOM 0 HG SER A 18 3.374 -1.129 -20.100 1.00 2.26 H new ATOM 262 N LEU A 19 4.625 2.175 -18.490 1.00 1.67 N ATOM 263 CA LEU A 19 4.200 2.555 -17.113 1.00 1.59 C ATOM 264 C LEU A 19 2.682 2.408 -16.990 1.00 1.72 C ATOM 265 O LEU A 19 2.186 1.541 -16.300 1.00 2.45 O ATOM 266 CB LEU A 19 4.595 4.009 -16.840 1.00 1.61 C ATOM 267 CG LEU A 19 5.290 4.103 -15.481 1.00 1.71 C ATOM 268 CD1 LEU A 19 5.737 5.545 -15.232 1.00 2.60 C ATOM 269 CD2 LEU A 19 4.316 3.672 -14.382 1.00 1.37 C ATOM 0 H LEU A 19 4.888 2.954 -19.094 1.00 1.67 H new ATOM 0 HA LEU A 19 4.689 1.903 -16.389 1.00 1.59 H new ATOM 0 HB2 LEU A 19 5.259 4.370 -17.625 1.00 1.61 H new ATOM 0 HB3 LEU A 19 3.710 4.646 -16.853 1.00 1.61 H new ATOM 0 HG LEU A 19 6.162 3.449 -15.472 1.00 1.71 H new ATOM 0 HD11 LEU A 19 6.232 5.610 -14.263 1.00 2.60 H new ATOM 0 HD12 LEU A 19 6.430 5.851 -16.015 1.00 2.60 H new ATOM 0 HD13 LEU A 19 4.867 6.202 -15.240 1.00 2.60 H new ATOM 0 HD21 LEU A 19 4.809 3.738 -13.412 1.00 1.37 H new ATOM 0 HD22 LEU A 19 3.444 4.326 -14.391 1.00 1.37 H new ATOM 0 HD23 LEU A 19 4.000 2.644 -14.559 1.00 1.37 H new ATOM 281 N GLY A 20 1.939 3.251 -17.655 1.00 1.44 N ATOM 282 CA GLY A 20 0.454 3.160 -17.576 1.00 1.58 C ATOM 283 C GLY A 20 -0.097 4.395 -16.862 1.00 1.59 C ATOM 284 O GLY A 20 0.645 5.249 -16.418 1.00 1.62 O ATOM 0 H GLY A 20 2.297 3.999 -18.249 1.00 1.44 H new ATOM 0 HA2 GLY A 20 0.030 3.087 -18.577 1.00 1.58 H new ATOM 0 HA3 GLY A 20 0.163 2.257 -17.040 1.00 1.58 H new ATOM 288 N PRO A 21 -1.395 4.486 -16.757 1.00 1.60 N ATOM 289 CA PRO A 21 -2.072 5.634 -16.088 1.00 1.60 C ATOM 290 C PRO A 21 -1.540 5.869 -14.672 1.00 1.43 C ATOM 291 O PRO A 21 -1.668 6.943 -14.120 1.00 1.67 O ATOM 292 CB PRO A 21 -3.546 5.223 -16.038 1.00 1.68 C ATOM 293 CG PRO A 21 -3.716 4.187 -17.099 1.00 1.70 C ATOM 294 CD PRO A 21 -2.359 3.500 -17.268 1.00 1.63 C ATOM 0 HA PRO A 21 -1.902 6.567 -16.625 1.00 1.60 H new ATOM 0 HB2 PRO A 21 -3.808 4.825 -15.058 1.00 1.68 H new ATOM 0 HB3 PRO A 21 -4.197 6.078 -16.219 1.00 1.68 H new ATOM 0 HG2 PRO A 21 -4.482 3.465 -16.815 1.00 1.70 H new ATOM 0 HG3 PRO A 21 -4.038 4.642 -18.036 1.00 1.70 H new ATOM 0 HD2 PRO A 21 -2.311 2.567 -16.706 1.00 1.63 H new ATOM 0 HD3 PRO A 21 -2.163 3.254 -18.312 1.00 1.63 H new ATOM 302 N TRP A 22 -0.946 4.870 -14.080 1.00 1.30 N ATOM 303 CA TRP A 22 -0.408 5.033 -12.700 1.00 1.15 C ATOM 304 C TRP A 22 0.613 6.173 -12.681 1.00 1.24 C ATOM 305 O TRP A 22 1.047 6.649 -13.712 1.00 1.48 O ATOM 306 CB TRP A 22 0.272 3.735 -12.259 1.00 1.19 C ATOM 307 CG TRP A 22 -0.764 2.693 -11.982 1.00 1.24 C ATOM 308 CD1 TRP A 22 -1.710 2.284 -12.860 1.00 1.40 C ATOM 309 CD2 TRP A 22 -0.975 1.919 -10.765 1.00 1.50 C ATOM 310 NE1 TRP A 22 -2.487 1.311 -12.260 1.00 1.52 N ATOM 311 CE2 TRP A 22 -2.075 1.050 -10.968 1.00 1.59 C ATOM 312 CE3 TRP A 22 -0.328 1.887 -9.517 1.00 1.94 C ATOM 313 CZ2 TRP A 22 -2.515 0.181 -9.967 1.00 1.97 C ATOM 314 CZ3 TRP A 22 -0.767 1.015 -8.509 1.00 2.42 C ATOM 315 CH2 TRP A 22 -1.857 0.163 -8.731 1.00 2.39 C ATOM 0 H TRP A 22 -0.810 3.947 -14.492 1.00 1.30 H new ATOM 0 HA TRP A 22 -1.226 5.265 -12.018 1.00 1.15 H new ATOM 0 HB2 TRP A 22 0.953 3.387 -13.036 1.00 1.19 H new ATOM 0 HB3 TRP A 22 0.871 3.912 -11.366 1.00 1.19 H new ATOM 0 HD1 TRP A 22 -1.837 2.657 -13.865 1.00 1.40 H new ATOM 0 HE1 TRP A 22 -3.270 0.843 -12.716 1.00 1.52 H new ATOM 0 HE3 TRP A 22 0.513 2.539 -9.333 1.00 1.94 H new ATOM 0 HZ2 TRP A 22 -3.356 -0.472 -10.145 1.00 1.97 H new ATOM 0 HZ3 TRP A 22 -0.261 1.000 -7.555 1.00 2.42 H new ATOM 0 HH2 TRP A 22 -2.189 -0.506 -7.951 1.00 2.39 H new ATOM 326 N SER A 23 1.001 6.612 -11.516 1.00 1.20 N ATOM 327 CA SER A 23 1.997 7.717 -11.426 1.00 1.36 C ATOM 328 C SER A 23 3.080 7.332 -10.416 1.00 1.28 C ATOM 329 O SER A 23 3.011 6.295 -9.788 1.00 1.33 O ATOM 330 CB SER A 23 1.300 8.998 -10.964 1.00 1.45 C ATOM 331 OG SER A 23 0.832 9.713 -12.100 1.00 1.64 O ATOM 0 H SER A 23 0.671 6.253 -10.620 1.00 1.20 H new ATOM 0 HA SER A 23 2.448 7.886 -12.404 1.00 1.36 H new ATOM 0 HB2 SER A 23 0.467 8.755 -10.304 1.00 1.45 H new ATOM 0 HB3 SER A 23 1.991 9.615 -10.391 1.00 1.45 H new ATOM 0 HG SER A 23 0.383 10.534 -11.808 1.00 1.64 H new ATOM 337 N LEU A 24 4.081 8.153 -10.253 1.00 1.31 N ATOM 338 CA LEU A 24 5.157 7.814 -9.281 1.00 1.25 C ATOM 339 C LEU A 24 6.158 8.967 -9.183 1.00 1.30 C ATOM 340 O LEU A 24 6.336 9.731 -10.109 1.00 1.47 O ATOM 341 CB LEU A 24 5.880 6.550 -9.746 1.00 1.40 C ATOM 342 CG LEU A 24 6.766 6.882 -10.949 1.00 1.44 C ATOM 343 CD1 LEU A 24 8.233 6.893 -10.517 1.00 2.02 C ATOM 344 CD2 LEU A 24 6.563 5.824 -12.036 1.00 2.05 C ATOM 0 H LEU A 24 4.200 9.037 -10.747 1.00 1.31 H new ATOM 0 HA LEU A 24 4.713 7.644 -8.300 1.00 1.25 H new ATOM 0 HB2 LEU A 24 6.486 6.146 -8.935 1.00 1.40 H new ATOM 0 HB3 LEU A 24 5.155 5.782 -10.016 1.00 1.40 H new ATOM 0 HG LEU A 24 6.496 7.863 -11.339 1.00 1.44 H new ATOM 0 HD11 LEU A 24 8.863 7.130 -11.374 1.00 2.02 H new ATOM 0 HD12 LEU A 24 8.378 7.645 -9.742 1.00 2.02 H new ATOM 0 HD13 LEU A 24 8.505 5.912 -10.127 1.00 2.02 H new ATOM 0 HD21 LEU A 24 7.193 6.058 -12.894 1.00 2.05 H new ATOM 0 HD22 LEU A 24 6.833 4.843 -11.644 1.00 2.05 H new ATOM 0 HD23 LEU A 24 5.518 5.816 -12.345 1.00 2.05 H new ATOM 356 N TYR A 25 6.813 9.090 -8.061 1.00 1.23 N ATOM 357 CA TYR A 25 7.808 10.185 -7.887 1.00 1.38 C ATOM 358 C TYR A 25 8.447 10.066 -6.501 1.00 1.34 C ATOM 359 O TYR A 25 7.773 9.833 -5.517 1.00 1.42 O ATOM 360 CB TYR A 25 7.105 11.539 -8.008 1.00 1.72 C ATOM 361 CG TYR A 25 6.466 11.894 -6.687 1.00 1.09 C ATOM 362 CD1 TYR A 25 5.649 10.964 -6.033 1.00 1.22 C ATOM 363 CD2 TYR A 25 6.690 13.152 -6.117 1.00 1.62 C ATOM 364 CE1 TYR A 25 5.057 11.292 -4.808 1.00 1.27 C ATOM 365 CE2 TYR A 25 6.096 13.481 -4.892 1.00 1.57 C ATOM 366 CZ TYR A 25 5.281 12.551 -4.237 1.00 1.08 C ATOM 367 OH TYR A 25 4.696 12.875 -3.030 1.00 1.63 O ATOM 0 H TYR A 25 6.701 8.476 -7.254 1.00 1.23 H new ATOM 0 HA TYR A 25 8.577 10.107 -8.656 1.00 1.38 H new ATOM 0 HB2 TYR A 25 7.821 12.308 -8.296 1.00 1.72 H new ATOM 0 HB3 TYR A 25 6.348 11.499 -8.791 1.00 1.72 H new ATOM 0 HD1 TYR A 25 5.476 9.993 -6.474 1.00 1.22 H new ATOM 0 HD2 TYR A 25 7.321 13.869 -6.621 1.00 1.62 H new ATOM 0 HE1 TYR A 25 4.427 10.574 -4.303 1.00 1.27 H new ATOM 0 HE2 TYR A 25 6.267 14.453 -4.453 1.00 1.57 H new ATOM 0 HH TYR A 25 4.955 13.785 -2.775 1.00 1.63 H new ATOM 377 N GLY A 26 9.738 10.226 -6.414 1.00 1.33 N ATOM 378 CA GLY A 26 10.408 10.122 -5.086 1.00 1.32 C ATOM 379 C GLY A 26 11.678 9.278 -5.207 1.00 1.25 C ATOM 380 O GLY A 26 12.616 9.445 -4.454 1.00 1.70 O ATOM 0 H GLY A 26 10.357 10.423 -7.201 1.00 1.33 H new ATOM 0 HA2 GLY A 26 10.656 11.117 -4.715 1.00 1.32 H new ATOM 0 HA3 GLY A 26 9.730 9.672 -4.361 1.00 1.32 H new ATOM 384 N THR A 27 11.721 8.370 -6.145 1.00 0.93 N ATOM 385 CA THR A 27 12.938 7.524 -6.299 1.00 0.90 C ATOM 386 C THR A 27 13.672 7.913 -7.580 1.00 0.92 C ATOM 387 O THR A 27 13.748 9.067 -7.948 1.00 0.97 O ATOM 388 CB THR A 27 12.527 6.050 -6.391 1.00 0.88 C ATOM 389 OG1 THR A 27 13.571 5.290 -6.984 1.00 0.73 O ATOM 390 CG2 THR A 27 11.257 5.922 -7.234 1.00 0.95 C ATOM 0 H THR A 27 10.970 8.179 -6.808 1.00 0.93 H new ATOM 0 HA THR A 27 13.591 7.674 -5.439 1.00 0.90 H new ATOM 0 HB THR A 27 12.336 5.671 -5.387 1.00 0.88 H new ATOM 0 HG1 THR A 27 14.341 5.264 -6.379 1.00 0.73 H new ATOM 0 HG21 THR A 27 10.967 4.873 -7.298 1.00 0.95 H new ATOM 0 HG22 THR A 27 10.453 6.493 -6.770 1.00 0.95 H new ATOM 0 HG23 THR A 27 11.445 6.308 -8.236 1.00 0.95 H new ATOM 398 N SER A 28 14.200 6.940 -8.262 1.00 1.12 N ATOM 399 CA SER A 28 14.924 7.216 -9.533 1.00 1.40 C ATOM 400 C SER A 28 13.939 7.117 -10.697 1.00 1.29 C ATOM 401 O SER A 28 12.741 7.071 -10.503 1.00 0.98 O ATOM 402 CB SER A 28 16.041 6.188 -9.719 1.00 1.80 C ATOM 403 OG SER A 28 15.542 4.893 -9.416 1.00 1.73 O ATOM 0 H SER A 28 14.162 5.957 -7.993 1.00 1.12 H new ATOM 0 HA SER A 28 15.358 8.215 -9.501 1.00 1.40 H new ATOM 0 HB2 SER A 28 16.411 6.217 -10.744 1.00 1.80 H new ATOM 0 HB3 SER A 28 16.883 6.427 -9.069 1.00 1.80 H new ATOM 0 HG SER A 28 15.051 4.543 -10.188 1.00 1.73 H new ATOM 409 N GLU A 29 14.431 7.074 -11.904 1.00 1.62 N ATOM 410 CA GLU A 29 13.519 6.963 -13.076 1.00 1.60 C ATOM 411 C GLU A 29 13.298 5.480 -13.395 1.00 1.23 C ATOM 412 O GLU A 29 14.203 4.802 -13.841 1.00 1.37 O ATOM 413 CB GLU A 29 14.156 7.653 -14.284 1.00 2.07 C ATOM 414 CG GLU A 29 13.429 8.970 -14.562 1.00 1.86 C ATOM 415 CD GLU A 29 13.895 9.537 -15.904 1.00 1.99 C ATOM 416 OE1 GLU A 29 14.959 10.133 -15.936 1.00 2.35 O ATOM 417 OE2 GLU A 29 13.180 9.367 -16.877 1.00 2.40 O ATOM 0 H GLU A 29 15.425 7.111 -12.129 1.00 1.62 H new ATOM 0 HA GLU A 29 12.565 7.439 -12.849 1.00 1.60 H new ATOM 0 HB2 GLU A 29 15.212 7.842 -14.093 1.00 2.07 H new ATOM 0 HB3 GLU A 29 14.101 7.004 -15.158 1.00 2.07 H new ATOM 0 HG2 GLU A 29 12.351 8.806 -14.579 1.00 1.86 H new ATOM 0 HG3 GLU A 29 13.630 9.684 -13.764 1.00 1.86 H new ATOM 424 N PRO A 30 12.114 4.970 -13.168 1.00 0.95 N ATOM 425 CA PRO A 30 11.800 3.539 -13.439 1.00 0.81 C ATOM 426 C PRO A 30 12.331 3.088 -14.802 1.00 0.80 C ATOM 427 O PRO A 30 12.241 3.803 -15.780 1.00 0.86 O ATOM 428 CB PRO A 30 10.272 3.492 -13.417 1.00 0.94 C ATOM 429 CG PRO A 30 9.851 4.626 -12.542 1.00 1.13 C ATOM 430 CD PRO A 30 10.946 5.692 -12.634 1.00 1.10 C ATOM 0 HA PRO A 30 12.263 2.873 -12.711 1.00 0.81 H new ATOM 0 HB2 PRO A 30 9.862 3.598 -14.421 1.00 0.94 H new ATOM 0 HB3 PRO A 30 9.914 2.540 -13.025 1.00 0.94 H new ATOM 0 HG2 PRO A 30 8.892 5.029 -12.868 1.00 1.13 H new ATOM 0 HG3 PRO A 30 9.723 4.292 -11.512 1.00 1.13 H new ATOM 0 HD2 PRO A 30 10.650 6.510 -13.290 1.00 1.10 H new ATOM 0 HD3 PRO A 30 11.160 6.128 -11.658 1.00 1.10 H new ATOM 438 N VAL A 31 12.890 1.912 -14.875 1.00 0.80 N ATOM 439 CA VAL A 31 13.430 1.431 -16.178 1.00 0.82 C ATOM 440 C VAL A 31 12.698 0.158 -16.608 1.00 0.78 C ATOM 441 O VAL A 31 13.073 -0.938 -16.236 1.00 0.84 O ATOM 442 CB VAL A 31 14.923 1.133 -16.030 1.00 0.92 C ATOM 443 CG1 VAL A 31 15.122 0.013 -15.007 1.00 0.99 C ATOM 444 CG2 VAL A 31 15.491 0.694 -17.382 1.00 1.05 C ATOM 0 H VAL A 31 12.996 1.266 -14.093 1.00 0.80 H new ATOM 0 HA VAL A 31 13.282 2.202 -16.934 1.00 0.82 H new ATOM 0 HB VAL A 31 15.440 2.031 -15.691 1.00 0.92 H new ATOM 0 HG11 VAL A 31 16.186 -0.199 -14.902 1.00 0.99 H new ATOM 0 HG12 VAL A 31 14.717 0.324 -14.044 1.00 0.99 H new ATOM 0 HG13 VAL A 31 14.605 -0.885 -15.345 1.00 0.99 H new ATOM 0 HG21 VAL A 31 16.555 0.481 -17.278 1.00 1.05 H new ATOM 0 HG22 VAL A 31 14.973 -0.203 -17.720 1.00 1.05 H new ATOM 0 HG23 VAL A 31 15.350 1.491 -18.112 1.00 1.05 H new ATOM 454 N PHE A 32 11.665 0.295 -17.398 1.00 0.74 N ATOM 455 CA PHE A 32 10.913 -0.905 -17.868 1.00 0.77 C ATOM 456 C PHE A 32 11.803 -1.732 -18.797 1.00 0.87 C ATOM 457 O PHE A 32 11.706 -1.646 -20.006 1.00 1.19 O ATOM 458 CB PHE A 32 9.653 -0.463 -18.618 1.00 0.78 C ATOM 459 CG PHE A 32 9.878 0.886 -19.260 1.00 0.93 C ATOM 460 CD1 PHE A 32 11.150 1.245 -19.723 1.00 1.50 C ATOM 461 CD2 PHE A 32 8.808 1.779 -19.390 1.00 1.63 C ATOM 462 CE1 PHE A 32 11.350 2.497 -20.317 1.00 1.78 C ATOM 463 CE2 PHE A 32 9.007 3.030 -19.984 1.00 1.82 C ATOM 464 CZ PHE A 32 10.278 3.390 -20.447 1.00 1.56 C ATOM 0 H PHE A 32 11.309 1.188 -17.738 1.00 0.74 H new ATOM 0 HA PHE A 32 10.624 -1.511 -17.009 1.00 0.77 H new ATOM 0 HB2 PHE A 32 9.397 -1.199 -19.380 1.00 0.78 H new ATOM 0 HB3 PHE A 32 8.810 -0.411 -17.929 1.00 0.78 H new ATOM 0 HD1 PHE A 32 11.976 0.557 -19.622 1.00 1.50 H new ATOM 0 HD2 PHE A 32 7.828 1.502 -19.031 1.00 1.63 H new ATOM 0 HE1 PHE A 32 12.330 2.774 -20.675 1.00 1.78 H new ATOM 0 HE2 PHE A 32 8.180 3.718 -20.085 1.00 1.82 H new ATOM 0 HZ PHE A 32 10.432 4.356 -20.904 1.00 1.56 H new ATOM 474 N ALA A 33 12.671 -2.530 -18.240 1.00 0.77 N ATOM 475 CA ALA A 33 13.571 -3.361 -19.089 1.00 0.84 C ATOM 476 C ALA A 33 13.008 -4.780 -19.199 1.00 0.67 C ATOM 477 O ALA A 33 12.007 -5.010 -19.848 1.00 0.92 O ATOM 478 CB ALA A 33 14.965 -3.409 -18.458 1.00 1.17 C ATOM 0 H ALA A 33 12.796 -2.643 -17.234 1.00 0.77 H new ATOM 0 HA ALA A 33 13.638 -2.922 -20.085 1.00 0.84 H new ATOM 0 HB1 ALA A 33 15.624 -4.017 -19.078 1.00 1.17 H new ATOM 0 HB2 ALA A 33 15.366 -2.398 -18.384 1.00 1.17 H new ATOM 0 HB3 ALA A 33 14.899 -3.847 -17.462 1.00 1.17 H new ATOM 484 N ASP A 34 13.643 -5.734 -18.575 1.00 0.77 N ATOM 485 CA ASP A 34 13.143 -7.135 -18.648 1.00 0.85 C ATOM 486 C ASP A 34 11.660 -7.170 -18.275 1.00 0.84 C ATOM 487 O ASP A 34 11.296 -7.514 -17.168 1.00 0.99 O ATOM 488 CB ASP A 34 13.934 -8.010 -17.673 1.00 1.13 C ATOM 489 CG ASP A 34 13.100 -9.235 -17.294 1.00 1.54 C ATOM 490 OD1 ASP A 34 12.219 -9.589 -18.061 1.00 2.21 O ATOM 491 OD2 ASP A 34 13.357 -9.800 -16.244 1.00 1.78 O ATOM 0 H ASP A 34 14.487 -5.603 -18.017 1.00 0.77 H new ATOM 0 HA ASP A 34 13.271 -7.513 -19.663 1.00 0.85 H new ATOM 0 HB2 ASP A 34 14.873 -8.323 -18.129 1.00 1.13 H new ATOM 0 HB3 ASP A 34 14.188 -7.439 -16.780 1.00 1.13 H new ATOM 496 N GLY A 35 10.800 -6.819 -19.191 1.00 0.84 N ATOM 497 CA GLY A 35 9.341 -6.833 -18.888 1.00 1.02 C ATOM 498 C GLY A 35 9.115 -6.412 -17.435 1.00 0.90 C ATOM 499 O GLY A 35 8.375 -7.040 -16.705 1.00 1.19 O ATOM 0 H GLY A 35 11.044 -6.523 -20.136 1.00 0.84 H new ATOM 0 HA2 GLY A 35 8.813 -6.156 -19.560 1.00 1.02 H new ATOM 0 HA3 GLY A 35 8.934 -7.830 -19.056 1.00 1.02 H new ATOM 503 N ARG A 36 9.745 -5.350 -17.011 1.00 0.66 N ATOM 504 CA ARG A 36 9.560 -4.888 -15.607 1.00 0.63 C ATOM 505 C ARG A 36 10.333 -3.586 -15.392 1.00 0.62 C ATOM 506 O ARG A 36 11.332 -3.334 -16.034 1.00 0.68 O ATOM 507 CB ARG A 36 10.076 -5.959 -14.644 1.00 0.70 C ATOM 508 CG ARG A 36 11.596 -5.840 -14.499 1.00 1.16 C ATOM 509 CD ARG A 36 12.220 -7.231 -14.357 1.00 1.40 C ATOM 510 NE ARG A 36 11.220 -8.188 -13.795 1.00 2.02 N ATOM 511 CZ ARG A 36 10.522 -7.887 -12.733 1.00 2.19 C ATOM 512 NH1 ARG A 36 10.786 -6.803 -12.055 1.00 2.28 N ATOM 513 NH2 ARG A 36 9.584 -8.695 -12.321 1.00 2.91 N ATOM 0 H ARG A 36 10.378 -4.784 -17.575 1.00 0.66 H new ATOM 0 HA ARG A 36 8.501 -4.714 -15.418 1.00 0.63 H new ATOM 0 HB2 ARG A 36 9.599 -5.846 -13.671 1.00 0.70 H new ATOM 0 HB3 ARG A 36 9.814 -6.950 -15.014 1.00 0.70 H new ATOM 0 HG2 ARG A 36 12.014 -5.332 -15.368 1.00 1.16 H new ATOM 0 HG3 ARG A 36 11.840 -5.233 -13.627 1.00 1.16 H new ATOM 0 HD2 ARG A 36 12.566 -7.584 -15.329 1.00 1.40 H new ATOM 0 HD3 ARG A 36 13.093 -7.182 -13.706 1.00 1.40 H new ATOM 0 HE ARG A 36 11.080 -9.091 -14.248 1.00 2.02 H new ATOM 0 HH11 ARG A 36 11.541 -6.186 -12.354 1.00 2.28 H new ATOM 0 HH12 ARG A 36 10.237 -6.573 -11.226 1.00 2.28 H new ATOM 0 HH21 ARG A 36 9.397 -9.560 -12.828 1.00 2.91 H new ATOM 0 HH22 ARG A 36 9.038 -8.462 -11.492 1.00 2.91 H new ATOM 527 N MET A 37 9.876 -2.757 -14.493 1.00 0.63 N ATOM 528 CA MET A 37 10.585 -1.471 -14.245 1.00 0.67 C ATOM 529 C MET A 37 11.271 -1.513 -12.881 1.00 0.68 C ATOM 530 O MET A 37 10.677 -1.868 -11.882 1.00 0.67 O ATOM 531 CB MET A 37 9.580 -0.316 -14.284 1.00 0.71 C ATOM 532 CG MET A 37 9.021 -0.067 -12.882 1.00 0.75 C ATOM 533 SD MET A 37 7.646 1.108 -12.981 1.00 0.88 S ATOM 534 CE MET A 37 7.767 1.740 -11.289 1.00 0.93 C ATOM 0 H MET A 37 9.046 -2.914 -13.922 1.00 0.63 H new ATOM 0 HA MET A 37 11.338 -1.320 -15.018 1.00 0.67 H new ATOM 0 HB2 MET A 37 10.064 0.586 -14.658 1.00 0.71 H new ATOM 0 HB3 MET A 37 8.768 -0.551 -14.972 1.00 0.71 H new ATOM 0 HG2 MET A 37 8.681 -1.005 -12.442 1.00 0.75 H new ATOM 0 HG3 MET A 37 9.803 0.325 -12.231 1.00 0.75 H new ATOM 0 HE1 MET A 37 7.081 2.578 -11.164 1.00 0.93 H new ATOM 0 HE2 MET A 37 7.506 0.949 -10.586 1.00 0.93 H new ATOM 0 HE3 MET A 37 8.787 2.074 -11.097 1.00 0.93 H new ATOM 544 N CYS A 38 12.523 -1.150 -12.835 1.00 0.73 N ATOM 545 CA CYS A 38 13.254 -1.167 -11.538 1.00 0.78 C ATOM 546 C CYS A 38 13.532 0.268 -11.088 1.00 0.89 C ATOM 547 O CYS A 38 14.056 1.073 -11.832 1.00 0.88 O ATOM 548 CB CYS A 38 14.574 -1.922 -11.706 1.00 0.79 C ATOM 549 SG CYS A 38 14.240 -3.700 -11.788 1.00 1.06 S ATOM 0 H CYS A 38 13.071 -0.843 -13.639 1.00 0.73 H new ATOM 0 HA CYS A 38 12.646 -1.668 -10.784 1.00 0.78 H new ATOM 0 HB2 CYS A 38 15.081 -1.593 -12.613 1.00 0.79 H new ATOM 0 HB3 CYS A 38 15.240 -1.703 -10.871 1.00 0.79 H new ATOM 554 N VAL A 39 13.184 0.592 -9.872 1.00 1.04 N ATOM 555 CA VAL A 39 13.426 1.974 -9.369 1.00 1.18 C ATOM 556 C VAL A 39 14.495 1.932 -8.276 1.00 1.37 C ATOM 557 O VAL A 39 14.444 1.116 -7.375 1.00 1.26 O ATOM 558 CB VAL A 39 12.130 2.545 -8.789 1.00 1.18 C ATOM 559 CG1 VAL A 39 11.345 3.254 -9.894 1.00 1.26 C ATOM 560 CG2 VAL A 39 11.285 1.406 -8.215 1.00 1.26 C ATOM 0 H VAL A 39 12.742 -0.041 -9.205 1.00 1.04 H new ATOM 0 HA VAL A 39 13.763 2.606 -10.191 1.00 1.18 H new ATOM 0 HB VAL A 39 12.368 3.257 -7.999 1.00 1.18 H new ATOM 0 HG11 VAL A 39 10.422 3.661 -9.481 1.00 1.26 H new ATOM 0 HG12 VAL A 39 11.947 4.065 -10.305 1.00 1.26 H new ATOM 0 HG13 VAL A 39 11.106 2.543 -10.685 1.00 1.26 H new ATOM 0 HG21 VAL A 39 10.361 1.811 -7.801 1.00 1.26 H new ATOM 0 HG22 VAL A 39 11.047 0.695 -9.006 1.00 1.26 H new ATOM 0 HG23 VAL A 39 11.844 0.900 -7.428 1.00 1.26 H new ATOM 570 N ASP A 40 15.462 2.806 -8.344 1.00 1.71 N ATOM 571 CA ASP A 40 16.532 2.817 -7.307 1.00 1.97 C ATOM 572 C ASP A 40 16.022 3.548 -6.064 1.00 1.61 C ATOM 573 O ASP A 40 15.520 4.653 -6.143 1.00 2.31 O ATOM 574 CB ASP A 40 17.765 3.539 -7.854 1.00 3.21 C ATOM 575 CG ASP A 40 18.546 2.593 -8.768 1.00 4.09 C ATOM 576 OD1 ASP A 40 18.077 2.340 -9.866 1.00 4.79 O ATOM 577 OD2 ASP A 40 19.601 2.140 -8.357 1.00 4.39 O ATOM 0 H ASP A 40 15.557 3.513 -9.073 1.00 1.71 H new ATOM 0 HA ASP A 40 16.799 1.793 -7.045 1.00 1.97 H new ATOM 0 HB2 ASP A 40 17.463 4.429 -8.406 1.00 3.21 H new ATOM 0 HB3 ASP A 40 18.398 3.873 -7.032 1.00 3.21 H new ATOM 582 N LEU A 41 16.144 2.942 -4.916 1.00 1.25 N ATOM 583 CA LEU A 41 15.662 3.602 -3.669 1.00 1.86 C ATOM 584 C LEU A 41 16.860 4.000 -2.803 1.00 1.67 C ATOM 585 O LEU A 41 17.373 3.201 -2.047 1.00 1.20 O ATOM 586 CB LEU A 41 14.777 2.627 -2.890 1.00 2.45 C ATOM 587 CG LEU A 41 13.328 2.753 -3.366 1.00 2.88 C ATOM 588 CD1 LEU A 41 12.718 4.043 -2.816 1.00 2.65 C ATOM 589 CD2 LEU A 41 13.296 2.784 -4.896 1.00 3.54 C ATOM 0 H LEU A 41 16.557 2.018 -4.787 1.00 1.25 H new ATOM 0 HA LEU A 41 15.089 4.492 -3.928 1.00 1.86 H new ATOM 0 HB2 LEU A 41 15.130 1.606 -3.034 1.00 2.45 H new ATOM 0 HB3 LEU A 41 14.839 2.838 -1.822 1.00 2.45 H new ATOM 0 HG LEU A 41 12.753 1.900 -3.007 1.00 2.88 H new ATOM 0 HD11 LEU A 41 11.686 4.131 -3.156 1.00 2.65 H new ATOM 0 HD12 LEU A 41 12.741 4.020 -1.726 1.00 2.65 H new ATOM 0 HD13 LEU A 41 13.292 4.898 -3.173 1.00 2.65 H new ATOM 0 HD21 LEU A 41 12.264 2.874 -5.237 1.00 3.54 H new ATOM 0 HD22 LEU A 41 13.872 3.637 -5.255 1.00 3.54 H new ATOM 0 HD23 LEU A 41 13.729 1.863 -5.288 1.00 3.54 H new ATOM 601 N PRO A 42 17.302 5.225 -2.913 1.00 2.30 N ATOM 602 CA PRO A 42 18.457 5.735 -2.124 1.00 2.32 C ATOM 603 C PRO A 42 18.062 6.094 -0.688 1.00 1.85 C ATOM 604 O PRO A 42 16.975 6.572 -0.433 1.00 2.18 O ATOM 605 CB PRO A 42 18.897 6.982 -2.890 1.00 3.11 C ATOM 606 CG PRO A 42 17.686 7.458 -3.626 1.00 3.74 C ATOM 607 CD PRO A 42 16.749 6.259 -3.801 1.00 3.24 C ATOM 0 HA PRO A 42 19.244 4.988 -2.025 1.00 2.32 H new ATOM 0 HB2 PRO A 42 19.267 7.749 -2.209 1.00 3.11 H new ATOM 0 HB3 PRO A 42 19.708 6.751 -3.580 1.00 3.11 H new ATOM 0 HG2 PRO A 42 17.189 8.254 -3.072 1.00 3.74 H new ATOM 0 HG3 PRO A 42 17.965 7.871 -4.596 1.00 3.74 H new ATOM 0 HD2 PRO A 42 15.725 6.512 -3.526 1.00 3.24 H new ATOM 0 HD3 PRO A 42 16.726 5.921 -4.837 1.00 3.24 H new ATOM 615 N GLY A 43 18.935 5.859 0.254 1.00 1.69 N ATOM 616 CA GLY A 43 18.607 6.179 1.673 1.00 1.65 C ATOM 617 C GLY A 43 18.828 7.670 1.933 1.00 1.62 C ATOM 618 O GLY A 43 19.517 8.343 1.192 1.00 2.03 O ATOM 0 H GLY A 43 19.861 5.459 0.102 1.00 1.69 H new ATOM 0 HA2 GLY A 43 17.571 5.913 1.885 1.00 1.65 H new ATOM 0 HA3 GLY A 43 19.231 5.587 2.342 1.00 1.65 H new ATOM 622 N GLY A 44 18.253 8.191 2.983 1.00 1.61 N ATOM 623 CA GLY A 44 18.436 9.637 3.290 1.00 2.13 C ATOM 624 C GLY A 44 17.173 10.198 3.947 1.00 2.06 C ATOM 625 O GLY A 44 17.149 11.327 4.396 1.00 2.41 O ATOM 0 H GLY A 44 17.665 7.678 3.640 1.00 1.61 H new ATOM 0 HA2 GLY A 44 19.291 9.771 3.953 1.00 2.13 H new ATOM 0 HA3 GLY A 44 18.654 10.187 2.374 1.00 2.13 H new ATOM 629 N GLN A 45 16.120 9.427 4.007 1.00 1.86 N ATOM 630 CA GLN A 45 14.868 9.933 4.633 1.00 1.96 C ATOM 631 C GLN A 45 14.480 9.038 5.812 1.00 1.90 C ATOM 632 O GLN A 45 15.091 8.017 6.059 1.00 1.92 O ATOM 633 CB GLN A 45 13.744 9.914 3.598 1.00 2.10 C ATOM 634 CG GLN A 45 13.707 11.253 2.858 1.00 2.29 C ATOM 635 CD GLN A 45 12.703 11.171 1.707 1.00 2.34 C ATOM 636 OE1 GLN A 45 12.024 10.176 1.548 1.00 2.96 O ATOM 637 NE2 GLN A 45 12.580 12.182 0.891 1.00 2.07 N ATOM 0 H GLN A 45 16.074 8.472 3.651 1.00 1.86 H new ATOM 0 HA GLN A 45 15.029 10.951 4.989 1.00 1.96 H new ATOM 0 HB2 GLN A 45 13.901 9.100 2.890 1.00 2.10 H new ATOM 0 HB3 GLN A 45 12.788 9.731 4.088 1.00 2.10 H new ATOM 0 HG2 GLN A 45 13.426 12.052 3.544 1.00 2.29 H new ATOM 0 HG3 GLN A 45 14.698 11.496 2.474 1.00 2.29 H new ATOM 0 HE21 GLN A 45 13.150 13.017 1.024 1.00 2.07 H new ATOM 0 HE22 GLN A 45 11.914 12.137 0.120 1.00 2.07 H new ATOM 646 N GLY A 46 13.464 9.414 6.540 1.00 2.04 N ATOM 647 CA GLY A 46 13.028 8.589 7.700 1.00 2.08 C ATOM 648 C GLY A 46 11.520 8.347 7.616 1.00 2.01 C ATOM 649 O GLY A 46 10.961 7.577 8.371 1.00 2.08 O ATOM 0 H GLY A 46 12.916 10.259 6.380 1.00 2.04 H new ATOM 0 HA2 GLY A 46 13.560 7.638 7.704 1.00 2.08 H new ATOM 0 HA3 GLY A 46 13.274 9.096 8.633 1.00 2.08 H new ATOM 653 N ASN A 47 10.855 9.000 6.701 1.00 2.09 N ATOM 654 CA ASN A 47 9.385 8.810 6.568 1.00 2.14 C ATOM 655 C ASN A 47 9.100 7.843 5.412 1.00 1.80 C ATOM 656 O ASN A 47 9.657 7.977 4.340 1.00 1.63 O ATOM 657 CB ASN A 47 8.722 10.158 6.279 1.00 2.60 C ATOM 658 CG ASN A 47 9.659 11.016 5.426 1.00 2.84 C ATOM 659 OD1 ASN A 47 9.608 12.229 5.480 1.00 2.65 O ATOM 660 ND2 ASN A 47 10.520 10.434 4.636 1.00 3.61 N ATOM 0 H ASN A 47 11.269 9.657 6.040 1.00 2.09 H new ATOM 0 HA ASN A 47 8.985 8.399 7.495 1.00 2.14 H new ATOM 0 HB2 ASN A 47 7.776 10.006 5.759 1.00 2.60 H new ATOM 0 HB3 ASN A 47 8.493 10.670 7.213 1.00 2.60 H new ATOM 0 HD21 ASN A 47 11.150 10.997 4.064 1.00 3.61 H new ATOM 0 HD22 ASN A 47 10.563 9.416 4.590 1.00 3.61 H new ATOM 667 N PRO A 48 8.243 6.877 5.623 1.00 1.85 N ATOM 668 CA PRO A 48 7.888 5.878 4.574 1.00 1.74 C ATOM 669 C PRO A 48 6.919 6.439 3.529 1.00 1.36 C ATOM 670 O PRO A 48 6.510 5.747 2.618 1.00 1.19 O ATOM 671 CB PRO A 48 7.220 4.754 5.365 1.00 2.19 C ATOM 672 CG PRO A 48 6.628 5.419 6.561 1.00 2.36 C ATOM 673 CD PRO A 48 7.516 6.624 6.879 1.00 2.21 C ATOM 0 HA PRO A 48 8.764 5.562 4.007 1.00 1.74 H new ATOM 0 HB2 PRO A 48 6.454 4.256 4.771 1.00 2.19 H new ATOM 0 HB3 PRO A 48 7.944 3.992 5.655 1.00 2.19 H new ATOM 0 HG2 PRO A 48 5.604 5.735 6.361 1.00 2.36 H new ATOM 0 HG3 PRO A 48 6.590 4.732 7.407 1.00 2.36 H new ATOM 0 HD2 PRO A 48 6.923 7.488 7.177 1.00 2.21 H new ATOM 0 HD3 PRO A 48 8.201 6.409 7.699 1.00 2.21 H new ATOM 681 N TRP A 49 6.543 7.682 3.653 1.00 1.49 N ATOM 682 CA TRP A 49 5.594 8.272 2.666 1.00 1.39 C ATOM 683 C TRP A 49 6.255 9.444 1.937 1.00 1.17 C ATOM 684 O TRP A 49 5.624 10.443 1.652 1.00 1.45 O ATOM 685 CB TRP A 49 4.340 8.760 3.395 1.00 1.79 C ATOM 686 CG TRP A 49 4.693 9.148 4.797 1.00 1.85 C ATOM 687 CD1 TRP A 49 4.376 8.431 5.900 1.00 1.69 C ATOM 688 CD2 TRP A 49 5.417 10.324 5.268 1.00 2.46 C ATOM 689 NE1 TRP A 49 4.858 9.089 7.016 1.00 1.97 N ATOM 690 CE2 TRP A 49 5.507 10.260 6.680 1.00 2.36 C ATOM 691 CE3 TRP A 49 5.997 11.427 4.618 1.00 3.27 C ATOM 692 CZ2 TRP A 49 6.150 11.255 7.418 1.00 2.90 C ATOM 693 CZ3 TRP A 49 6.645 12.429 5.357 1.00 3.87 C ATOM 694 CH2 TRP A 49 6.721 12.344 6.754 1.00 3.62 C ATOM 0 H TRP A 49 6.851 8.313 4.393 1.00 1.49 H new ATOM 0 HA TRP A 49 5.319 7.511 1.935 1.00 1.39 H new ATOM 0 HB2 TRP A 49 3.910 9.612 2.869 1.00 1.79 H new ATOM 0 HB3 TRP A 49 3.584 7.975 3.404 1.00 1.79 H new ATOM 0 HD1 TRP A 49 3.834 7.497 5.907 1.00 1.69 H new ATOM 0 HE1 TRP A 49 4.748 8.750 7.972 1.00 1.97 H new ATOM 0 HE3 TRP A 49 5.944 11.504 3.542 1.00 3.27 H new ATOM 0 HZ2 TRP A 49 6.206 11.184 8.494 1.00 2.90 H new ATOM 0 HZ3 TRP A 49 7.088 13.271 4.846 1.00 3.87 H new ATOM 0 HH2 TRP A 49 7.220 13.119 7.317 1.00 3.62 H new ATOM 705 N ASP A 50 7.517 9.332 1.625 1.00 1.07 N ATOM 706 CA ASP A 50 8.206 10.445 0.911 1.00 1.36 C ATOM 707 C ASP A 50 8.574 9.999 -0.506 1.00 1.21 C ATOM 708 O ASP A 50 9.337 10.651 -1.192 1.00 1.27 O ATOM 709 CB ASP A 50 9.477 10.828 1.672 1.00 1.73 C ATOM 710 CG ASP A 50 9.132 11.842 2.764 1.00 2.02 C ATOM 711 OD1 ASP A 50 8.209 11.582 3.518 1.00 2.38 O ATOM 712 OD2 ASP A 50 9.796 12.864 2.827 1.00 2.14 O ATOM 0 H ASP A 50 8.100 8.521 1.833 1.00 1.07 H new ATOM 0 HA ASP A 50 7.540 11.306 0.856 1.00 1.36 H new ATOM 0 HB2 ASP A 50 9.930 9.941 2.115 1.00 1.73 H new ATOM 0 HB3 ASP A 50 10.211 11.252 0.986 1.00 1.73 H new ATOM 717 N ALA A 51 8.039 8.895 -0.953 1.00 1.09 N ATOM 718 CA ALA A 51 8.361 8.412 -2.328 1.00 1.02 C ATOM 719 C ALA A 51 7.613 7.105 -2.595 1.00 0.89 C ATOM 720 O ALA A 51 7.588 6.215 -1.768 1.00 0.87 O ATOM 721 CB ALA A 51 9.867 8.168 -2.442 1.00 1.11 C ATOM 0 H ALA A 51 7.393 8.307 -0.426 1.00 1.09 H new ATOM 0 HA ALA A 51 8.057 9.162 -3.058 1.00 1.02 H new ATOM 0 HB1 ALA A 51 10.103 7.815 -3.446 1.00 1.11 H new ATOM 0 HB2 ALA A 51 10.402 9.098 -2.249 1.00 1.11 H new ATOM 0 HB3 ALA A 51 10.170 7.417 -1.713 1.00 1.11 H new ATOM 727 N GLY A 52 7.004 6.974 -3.744 1.00 0.86 N ATOM 728 CA GLY A 52 6.264 5.716 -4.046 1.00 0.86 C ATOM 729 C GLY A 52 5.428 5.886 -5.317 1.00 0.87 C ATOM 730 O GLY A 52 5.291 6.972 -5.843 1.00 0.94 O ATOM 0 H GLY A 52 6.987 7.679 -4.481 1.00 0.86 H new ATOM 0 HA2 GLY A 52 6.968 4.893 -4.172 1.00 0.86 H new ATOM 0 HA3 GLY A 52 5.617 5.456 -3.208 1.00 0.86 H new ATOM 734 N LEU A 53 4.861 4.816 -5.812 1.00 0.83 N ATOM 735 CA LEU A 53 4.028 4.914 -7.045 1.00 0.84 C ATOM 736 C LEU A 53 2.677 5.536 -6.694 1.00 0.79 C ATOM 737 O LEU A 53 2.427 5.895 -5.561 1.00 0.78 O ATOM 738 CB LEU A 53 3.801 3.520 -7.633 1.00 0.85 C ATOM 739 CG LEU A 53 5.110 2.730 -7.624 1.00 0.90 C ATOM 740 CD1 LEU A 53 4.975 1.526 -8.557 1.00 0.90 C ATOM 741 CD2 LEU A 53 6.253 3.622 -8.112 1.00 0.96 C ATOM 0 H LEU A 53 4.940 3.880 -5.415 1.00 0.83 H new ATOM 0 HA LEU A 53 4.544 5.535 -7.777 1.00 0.84 H new ATOM 0 HB2 LEU A 53 3.043 2.991 -7.055 1.00 0.85 H new ATOM 0 HB3 LEU A 53 3.424 3.603 -8.652 1.00 0.85 H new ATOM 0 HG LEU A 53 5.324 2.391 -6.610 1.00 0.90 H new ATOM 0 HD11 LEU A 53 5.905 0.958 -8.555 1.00 0.90 H new ATOM 0 HD12 LEU A 53 4.160 0.889 -8.213 1.00 0.90 H new ATOM 0 HD13 LEU A 53 4.763 1.872 -9.569 1.00 0.90 H new ATOM 0 HD21 LEU A 53 7.185 3.056 -8.104 1.00 0.96 H new ATOM 0 HD22 LEU A 53 6.042 3.961 -9.126 1.00 0.96 H new ATOM 0 HD23 LEU A 53 6.347 4.485 -7.453 1.00 0.96 H new ATOM 753 N VAL A 54 1.801 5.665 -7.655 1.00 0.79 N ATOM 754 CA VAL A 54 0.464 6.264 -7.369 1.00 0.78 C ATOM 755 C VAL A 54 -0.518 5.886 -8.481 1.00 0.80 C ATOM 756 O VAL A 54 -0.133 5.395 -9.523 1.00 0.90 O ATOM 757 CB VAL A 54 0.585 7.791 -7.307 1.00 0.89 C ATOM 758 CG1 VAL A 54 -0.797 8.414 -7.100 1.00 0.92 C ATOM 759 CG2 VAL A 54 1.496 8.197 -6.146 1.00 0.92 C ATOM 0 H VAL A 54 1.953 5.382 -8.623 1.00 0.79 H new ATOM 0 HA VAL A 54 0.101 5.885 -6.413 1.00 0.78 H new ATOM 0 HB VAL A 54 1.011 8.147 -8.245 1.00 0.89 H new ATOM 0 HG11 VAL A 54 -0.704 9.499 -7.057 1.00 0.92 H new ATOM 0 HG12 VAL A 54 -1.448 8.138 -7.929 1.00 0.92 H new ATOM 0 HG13 VAL A 54 -1.224 8.049 -6.166 1.00 0.92 H new ATOM 0 HG21 VAL A 54 1.576 9.283 -6.109 1.00 0.92 H new ATOM 0 HG22 VAL A 54 1.075 7.832 -5.209 1.00 0.92 H new ATOM 0 HG23 VAL A 54 2.486 7.765 -6.292 1.00 0.92 H new ATOM 769 N TYR A 55 -1.784 6.121 -8.264 1.00 0.78 N ATOM 770 CA TYR A 55 -2.803 5.787 -9.302 1.00 0.82 C ATOM 771 C TYR A 55 -4.202 6.076 -8.753 1.00 0.81 C ATOM 772 O TYR A 55 -4.465 5.911 -7.579 1.00 1.06 O ATOM 773 CB TYR A 55 -2.697 4.306 -9.669 1.00 0.83 C ATOM 774 CG TYR A 55 -3.886 3.908 -10.508 1.00 0.97 C ATOM 775 CD1 TYR A 55 -4.111 4.529 -11.743 1.00 1.59 C ATOM 776 CD2 TYR A 55 -4.766 2.918 -10.052 1.00 1.54 C ATOM 777 CE1 TYR A 55 -5.215 4.160 -12.521 1.00 1.70 C ATOM 778 CE2 TYR A 55 -5.869 2.549 -10.831 1.00 1.71 C ATOM 779 CZ TYR A 55 -6.094 3.170 -12.065 1.00 1.37 C ATOM 780 OH TYR A 55 -7.183 2.807 -12.832 1.00 1.61 O ATOM 0 H TYR A 55 -2.158 6.532 -7.409 1.00 0.78 H new ATOM 0 HA TYR A 55 -2.626 6.393 -10.190 1.00 0.82 H new ATOM 0 HB2 TYR A 55 -1.773 4.122 -10.218 1.00 0.83 H new ATOM 0 HB3 TYR A 55 -2.657 3.699 -8.765 1.00 0.83 H new ATOM 0 HD1 TYR A 55 -3.433 5.292 -12.095 1.00 1.59 H new ATOM 0 HD2 TYR A 55 -4.593 2.439 -9.099 1.00 1.54 H new ATOM 0 HE1 TYR A 55 -5.389 4.639 -13.473 1.00 1.70 H new ATOM 0 HE2 TYR A 55 -6.547 1.785 -10.480 1.00 1.71 H new ATOM 0 HH TYR A 55 -7.689 2.106 -12.370 1.00 1.61 H new ATOM 790 N ASN A 56 -5.103 6.508 -9.594 1.00 0.93 N ATOM 791 CA ASN A 56 -6.482 6.808 -9.123 1.00 1.01 C ATOM 792 C ASN A 56 -7.444 5.732 -9.633 1.00 1.28 C ATOM 793 O ASN A 56 -7.084 4.892 -10.434 1.00 2.04 O ATOM 794 CB ASN A 56 -6.914 8.174 -9.658 1.00 1.81 C ATOM 795 CG ASN A 56 -6.524 9.263 -8.657 1.00 2.22 C ATOM 796 OD1 ASN A 56 -7.182 10.279 -8.561 1.00 2.78 O ATOM 797 ND2 ASN A 56 -5.474 9.091 -7.900 1.00 2.47 N ATOM 0 H ASN A 56 -4.941 6.666 -10.589 1.00 0.93 H new ATOM 0 HA ASN A 56 -6.499 6.820 -8.033 1.00 1.01 H new ATOM 0 HB2 ASN A 56 -6.441 8.365 -10.621 1.00 1.81 H new ATOM 0 HB3 ASN A 56 -7.991 8.187 -9.824 1.00 1.81 H new ATOM 0 HD21 ASN A 56 -5.206 9.810 -7.228 1.00 2.47 H new ATOM 0 HD22 ASN A 56 -4.921 8.237 -7.981 1.00 2.47 H new ATOM 804 N GLY A 57 -8.666 5.750 -9.175 1.00 1.18 N ATOM 805 CA GLY A 57 -9.651 4.729 -9.633 1.00 1.77 C ATOM 806 C GLY A 57 -9.660 3.552 -8.655 1.00 1.64 C ATOM 807 O GLY A 57 -9.198 2.472 -8.967 1.00 2.48 O ATOM 0 H GLY A 57 -9.025 6.428 -8.503 1.00 1.18 H new ATOM 0 HA2 GLY A 57 -10.646 5.171 -9.696 1.00 1.77 H new ATOM 0 HA3 GLY A 57 -9.392 4.382 -10.633 1.00 1.77 H new ATOM 811 N VAL A 58 -10.180 3.752 -7.476 1.00 1.34 N ATOM 812 CA VAL A 58 -10.217 2.645 -6.479 1.00 1.99 C ATOM 813 C VAL A 58 -11.234 2.978 -5.384 1.00 1.78 C ATOM 814 O VAL A 58 -10.891 3.534 -4.359 1.00 1.95 O ATOM 815 CB VAL A 58 -8.832 2.480 -5.850 1.00 2.93 C ATOM 816 CG1 VAL A 58 -8.934 1.574 -4.621 1.00 3.79 C ATOM 817 CG2 VAL A 58 -7.882 1.847 -6.869 1.00 2.88 C ATOM 0 H VAL A 58 -10.581 4.635 -7.159 1.00 1.34 H new ATOM 0 HA VAL A 58 -10.506 1.719 -6.976 1.00 1.99 H new ATOM 0 HB VAL A 58 -8.450 3.457 -5.552 1.00 2.93 H new ATOM 0 HG11 VAL A 58 -7.947 1.456 -4.173 1.00 3.79 H new ATOM 0 HG12 VAL A 58 -9.612 2.022 -3.894 1.00 3.79 H new ATOM 0 HG13 VAL A 58 -9.316 0.598 -4.919 1.00 3.79 H new ATOM 0 HG21 VAL A 58 -6.895 1.729 -6.422 1.00 2.88 H new ATOM 0 HG22 VAL A 58 -8.265 0.871 -7.166 1.00 2.88 H new ATOM 0 HG23 VAL A 58 -7.808 2.490 -7.746 1.00 2.88 H new ATOM 827 N PRO A 59 -12.477 2.639 -5.601 1.00 1.85 N ATOM 828 CA PRO A 59 -13.565 2.903 -4.620 1.00 1.84 C ATOM 829 C PRO A 59 -13.575 1.881 -3.480 1.00 1.90 C ATOM 830 O PRO A 59 -12.985 0.823 -3.578 1.00 2.05 O ATOM 831 CB PRO A 59 -14.837 2.786 -5.459 1.00 2.07 C ATOM 832 CG PRO A 59 -14.493 1.864 -6.583 1.00 2.39 C ATOM 833 CD PRO A 59 -12.981 1.966 -6.808 1.00 2.40 C ATOM 0 HA PRO A 59 -13.452 3.871 -4.133 1.00 1.84 H new ATOM 0 HB2 PRO A 59 -15.662 2.391 -4.867 1.00 2.07 H new ATOM 0 HB3 PRO A 59 -15.151 3.760 -5.833 1.00 2.07 H new ATOM 0 HG2 PRO A 59 -14.777 0.840 -6.341 1.00 2.39 H new ATOM 0 HG3 PRO A 59 -15.036 2.140 -7.487 1.00 2.39 H new ATOM 0 HD2 PRO A 59 -12.530 0.981 -6.932 1.00 2.40 H new ATOM 0 HD3 PRO A 59 -12.751 2.537 -7.707 1.00 2.40 H new ATOM 841 N VAL A 60 -14.238 2.188 -2.399 1.00 2.10 N ATOM 842 CA VAL A 60 -14.279 1.231 -1.257 1.00 2.46 C ATOM 843 C VAL A 60 -15.681 1.220 -0.645 1.00 2.53 C ATOM 844 O VAL A 60 -16.131 2.198 -0.082 1.00 2.50 O ATOM 845 CB VAL A 60 -13.263 1.661 -0.197 1.00 2.79 C ATOM 846 CG1 VAL A 60 -12.423 0.454 0.225 1.00 3.08 C ATOM 847 CG2 VAL A 60 -12.347 2.739 -0.779 1.00 2.93 C ATOM 0 H VAL A 60 -14.752 3.058 -2.257 1.00 2.10 H new ATOM 0 HA VAL A 60 -14.033 0.231 -1.614 1.00 2.46 H new ATOM 0 HB VAL A 60 -13.789 2.058 0.671 1.00 2.79 H new ATOM 0 HG11 VAL A 60 -11.699 0.761 0.980 1.00 3.08 H new ATOM 0 HG12 VAL A 60 -13.074 -0.316 0.638 1.00 3.08 H new ATOM 0 HG13 VAL A 60 -11.896 0.056 -0.642 1.00 3.08 H new ATOM 0 HG21 VAL A 60 -11.622 3.047 -0.025 1.00 2.93 H new ATOM 0 HG22 VAL A 60 -11.821 2.340 -1.646 1.00 2.93 H new ATOM 0 HG23 VAL A 60 -12.944 3.600 -1.081 1.00 2.93 H new ATOM 857 N GLY A 61 -16.374 0.119 -0.747 1.00 2.83 N ATOM 858 CA GLY A 61 -17.745 0.042 -0.168 1.00 3.05 C ATOM 859 C GLY A 61 -17.722 -0.860 1.068 1.00 2.72 C ATOM 860 O GLY A 61 -17.130 -1.921 1.062 1.00 2.61 O ATOM 0 H GLY A 61 -16.049 -0.732 -1.207 1.00 2.83 H new ATOM 0 HA2 GLY A 61 -18.095 1.039 0.101 1.00 3.05 H new ATOM 0 HA3 GLY A 61 -18.443 -0.352 -0.907 1.00 3.05 H new ATOM 864 N GLU A 62 -18.357 -0.446 2.129 1.00 3.03 N ATOM 865 CA GLU A 62 -18.366 -1.281 3.363 1.00 2.96 C ATOM 866 C GLU A 62 -19.271 -2.497 3.155 1.00 2.29 C ATOM 867 O GLU A 62 -20.333 -2.401 2.572 1.00 2.02 O ATOM 868 CB GLU A 62 -18.884 -0.448 4.539 1.00 4.03 C ATOM 869 CG GLU A 62 -20.408 -0.556 4.620 1.00 4.32 C ATOM 870 CD GLU A 62 -20.960 0.606 5.447 1.00 5.32 C ATOM 871 OE1 GLU A 62 -20.163 1.328 6.023 1.00 5.54 O ATOM 872 OE2 GLU A 62 -22.171 0.753 5.491 1.00 6.05 O ATOM 0 H GLU A 62 -18.870 0.433 2.195 1.00 3.03 H new ATOM 0 HA GLU A 62 -17.353 -1.621 3.578 1.00 2.96 H new ATOM 0 HB2 GLU A 62 -18.436 -0.797 5.469 1.00 4.03 H new ATOM 0 HB3 GLU A 62 -18.590 0.594 4.415 1.00 4.03 H new ATOM 0 HG2 GLU A 62 -20.838 -0.540 3.618 1.00 4.32 H new ATOM 0 HG3 GLU A 62 -20.692 -1.506 5.073 1.00 4.32 H new ATOM 879 N GLY A 63 -18.860 -3.644 3.626 1.00 2.54 N ATOM 880 CA GLY A 63 -19.701 -4.863 3.455 1.00 2.46 C ATOM 881 C GLY A 63 -18.882 -5.961 2.775 1.00 2.21 C ATOM 882 O GLY A 63 -18.838 -7.087 3.228 1.00 2.29 O ATOM 0 H GLY A 63 -17.980 -3.789 4.121 1.00 2.54 H new ATOM 0 HA2 GLY A 63 -20.058 -5.210 4.425 1.00 2.46 H new ATOM 0 HA3 GLY A 63 -20.581 -4.629 2.856 1.00 2.46 H new ATOM 886 N GLU A 64 -18.235 -5.646 1.685 1.00 2.23 N ATOM 887 CA GLU A 64 -17.425 -6.674 0.975 1.00 2.27 C ATOM 888 C GLU A 64 -15.947 -6.503 1.334 1.00 2.19 C ATOM 889 O GLU A 64 -15.516 -5.444 1.744 1.00 2.81 O ATOM 890 CB GLU A 64 -17.605 -6.504 -0.534 1.00 2.70 C ATOM 891 CG GLU A 64 -18.784 -7.357 -1.008 1.00 3.18 C ATOM 892 CD GLU A 64 -18.261 -8.656 -1.623 1.00 3.59 C ATOM 893 OE1 GLU A 64 -17.290 -8.590 -2.359 1.00 4.03 O ATOM 894 OE2 GLU A 64 -18.840 -9.694 -1.349 1.00 3.92 O ATOM 0 H GLU A 64 -18.233 -4.720 1.256 1.00 2.23 H new ATOM 0 HA GLU A 64 -17.756 -7.668 1.275 1.00 2.27 H new ATOM 0 HB2 GLU A 64 -17.782 -5.455 -0.774 1.00 2.70 H new ATOM 0 HB3 GLU A 64 -16.695 -6.801 -1.055 1.00 2.70 H new ATOM 0 HG2 GLU A 64 -19.445 -7.579 -0.171 1.00 3.18 H new ATOM 0 HG3 GLU A 64 -19.373 -6.806 -1.742 1.00 3.18 H new ATOM 901 N SER A 65 -15.168 -7.538 1.181 1.00 1.71 N ATOM 902 CA SER A 65 -13.718 -7.437 1.511 1.00 1.83 C ATOM 903 C SER A 65 -12.919 -7.238 0.222 1.00 1.49 C ATOM 904 O SER A 65 -13.141 -7.909 -0.766 1.00 1.87 O ATOM 905 CB SER A 65 -13.262 -8.724 2.200 1.00 2.37 C ATOM 906 OG SER A 65 -13.940 -8.858 3.442 1.00 2.91 O ATOM 0 H SER A 65 -15.473 -8.450 0.841 1.00 1.71 H new ATOM 0 HA SER A 65 -13.553 -6.591 2.178 1.00 1.83 H new ATOM 0 HB2 SER A 65 -13.471 -9.584 1.564 1.00 2.37 H new ATOM 0 HB3 SER A 65 -12.184 -8.701 2.362 1.00 2.37 H new ATOM 0 HG SER A 65 -13.651 -9.683 3.885 1.00 2.91 H new ATOM 912 N TYR A 66 -11.992 -6.318 0.220 1.00 1.14 N ATOM 913 CA TYR A 66 -11.186 -6.078 -1.006 1.00 1.22 C ATOM 914 C TYR A 66 -9.905 -6.912 -0.952 1.00 1.63 C ATOM 915 O TYR A 66 -9.611 -7.558 0.036 1.00 2.01 O ATOM 916 CB TYR A 66 -10.823 -4.597 -1.086 1.00 1.29 C ATOM 917 CG TYR A 66 -12.044 -3.796 -1.466 1.00 1.20 C ATOM 918 CD1 TYR A 66 -12.911 -3.326 -0.472 1.00 1.47 C ATOM 919 CD2 TYR A 66 -12.311 -3.523 -2.813 1.00 1.79 C ATOM 920 CE1 TYR A 66 -14.044 -2.584 -0.825 1.00 1.86 C ATOM 921 CE2 TYR A 66 -13.444 -2.781 -3.166 1.00 1.98 C ATOM 922 CZ TYR A 66 -14.311 -2.311 -2.172 1.00 1.87 C ATOM 923 OH TYR A 66 -15.429 -1.579 -2.519 1.00 2.38 O ATOM 0 H TYR A 66 -11.760 -5.724 1.016 1.00 1.14 H new ATOM 0 HA TYR A 66 -11.765 -6.364 -1.884 1.00 1.22 H new ATOM 0 HB2 TYR A 66 -10.436 -4.255 -0.126 1.00 1.29 H new ATOM 0 HB3 TYR A 66 -10.033 -4.445 -1.821 1.00 1.29 H new ATOM 0 HD1 TYR A 66 -12.705 -3.536 0.567 1.00 1.47 H new ATOM 0 HD2 TYR A 66 -11.642 -3.885 -3.580 1.00 1.79 H new ATOM 0 HE1 TYR A 66 -14.713 -2.222 -0.058 1.00 1.86 H new ATOM 0 HE2 TYR A 66 -13.650 -2.571 -4.205 1.00 1.98 H new ATOM 0 HH TYR A 66 -15.465 -1.479 -3.493 1.00 2.38 H new ATOM 933 N VAL A 67 -9.140 -6.897 -2.009 1.00 1.69 N ATOM 934 CA VAL A 67 -7.875 -7.685 -2.033 1.00 2.07 C ATOM 935 C VAL A 67 -6.975 -7.172 -3.161 1.00 2.20 C ATOM 936 O VAL A 67 -7.333 -7.217 -4.322 1.00 2.22 O ATOM 937 CB VAL A 67 -8.196 -9.161 -2.278 1.00 2.37 C ATOM 938 CG1 VAL A 67 -6.902 -9.923 -2.569 1.00 2.61 C ATOM 939 CG2 VAL A 67 -8.864 -9.754 -1.034 1.00 2.54 C ATOM 0 H VAL A 67 -9.337 -6.371 -2.860 1.00 1.69 H new ATOM 0 HA VAL A 67 -7.364 -7.575 -1.077 1.00 2.07 H new ATOM 0 HB VAL A 67 -8.871 -9.247 -3.130 1.00 2.37 H new ATOM 0 HG11 VAL A 67 -7.130 -10.974 -2.744 1.00 2.61 H new ATOM 0 HG12 VAL A 67 -6.424 -9.504 -3.454 1.00 2.61 H new ATOM 0 HG13 VAL A 67 -6.228 -9.835 -1.717 1.00 2.61 H new ATOM 0 HG21 VAL A 67 -9.092 -10.805 -1.210 1.00 2.54 H new ATOM 0 HG22 VAL A 67 -8.190 -9.667 -0.182 1.00 2.54 H new ATOM 0 HG23 VAL A 67 -9.786 -9.213 -0.823 1.00 2.54 H new ATOM 949 N LEU A 68 -5.809 -6.688 -2.832 1.00 2.36 N ATOM 950 CA LEU A 68 -4.886 -6.179 -3.888 1.00 2.59 C ATOM 951 C LEU A 68 -3.700 -7.136 -4.022 1.00 2.17 C ATOM 952 O LEU A 68 -3.401 -7.888 -3.117 1.00 2.07 O ATOM 953 CB LEU A 68 -4.381 -4.789 -3.494 1.00 3.01 C ATOM 954 CG LEU A 68 -3.536 -4.203 -4.625 1.00 3.40 C ATOM 955 CD1 LEU A 68 -3.716 -2.684 -4.664 1.00 3.46 C ATOM 956 CD2 LEU A 68 -2.061 -4.533 -4.385 1.00 3.61 C ATOM 0 H LEU A 68 -5.455 -6.623 -1.878 1.00 2.36 H new ATOM 0 HA LEU A 68 -5.414 -6.116 -4.840 1.00 2.59 H new ATOM 0 HB2 LEU A 68 -5.225 -4.133 -3.281 1.00 3.01 H new ATOM 0 HB3 LEU A 68 -3.789 -4.853 -2.581 1.00 3.01 H new ATOM 0 HG LEU A 68 -3.856 -4.632 -5.575 1.00 3.40 H new ATOM 0 HD11 LEU A 68 -3.113 -2.267 -5.471 1.00 3.46 H new ATOM 0 HD12 LEU A 68 -4.766 -2.446 -4.835 1.00 3.46 H new ATOM 0 HD13 LEU A 68 -3.397 -2.255 -3.714 1.00 3.46 H new ATOM 0 HD21 LEU A 68 -1.459 -4.115 -5.192 1.00 3.61 H new ATOM 0 HD22 LEU A 68 -1.742 -4.105 -3.435 1.00 3.61 H new ATOM 0 HD23 LEU A 68 -1.930 -5.615 -4.357 1.00 3.61 H new ATOM 968 N SER A 69 -3.020 -7.116 -5.139 1.00 1.98 N ATOM 969 CA SER A 69 -1.853 -8.028 -5.316 1.00 1.66 C ATOM 970 C SER A 69 -0.883 -7.422 -6.333 1.00 1.53 C ATOM 971 O SER A 69 -1.145 -7.406 -7.520 1.00 1.60 O ATOM 972 CB SER A 69 -2.337 -9.392 -5.809 1.00 1.82 C ATOM 973 OG SER A 69 -3.572 -9.233 -6.494 1.00 2.27 O ATOM 0 H SER A 69 -3.222 -6.509 -5.934 1.00 1.98 H new ATOM 0 HA SER A 69 -1.342 -8.155 -4.362 1.00 1.66 H new ATOM 0 HB2 SER A 69 -1.595 -9.836 -6.472 1.00 1.82 H new ATOM 0 HB3 SER A 69 -2.460 -10.073 -4.967 1.00 1.82 H new ATOM 0 HG SER A 69 -4.038 -10.094 -6.532 1.00 2.27 H new ATOM 979 N PHE A 70 0.235 -6.916 -5.881 1.00 1.38 N ATOM 980 CA PHE A 70 1.210 -6.307 -6.828 1.00 1.30 C ATOM 981 C PHE A 70 2.263 -7.334 -7.241 1.00 1.23 C ATOM 982 O PHE A 70 2.646 -8.192 -6.471 1.00 1.40 O ATOM 983 CB PHE A 70 1.889 -5.099 -6.180 1.00 1.34 C ATOM 984 CG PHE A 70 2.291 -5.426 -4.763 1.00 1.31 C ATOM 985 CD1 PHE A 70 1.313 -5.548 -3.769 1.00 1.96 C ATOM 986 CD2 PHE A 70 3.643 -5.598 -4.442 1.00 1.23 C ATOM 987 CE1 PHE A 70 1.687 -5.845 -2.453 1.00 2.01 C ATOM 988 CE2 PHE A 70 4.017 -5.893 -3.126 1.00 1.35 C ATOM 989 CZ PHE A 70 3.039 -6.016 -2.132 1.00 1.48 C ATOM 0 H PHE A 70 0.513 -6.899 -4.900 1.00 1.38 H new ATOM 0 HA PHE A 70 0.671 -5.979 -7.717 1.00 1.30 H new ATOM 0 HB2 PHE A 70 2.768 -4.813 -6.758 1.00 1.34 H new ATOM 0 HB3 PHE A 70 1.211 -4.245 -6.186 1.00 1.34 H new ATOM 0 HD1 PHE A 70 0.271 -5.413 -4.017 1.00 1.96 H new ATOM 0 HD2 PHE A 70 4.397 -5.503 -5.210 1.00 1.23 H new ATOM 0 HE1 PHE A 70 0.933 -5.942 -1.686 1.00 2.01 H new ATOM 0 HE2 PHE A 70 5.060 -6.026 -2.877 1.00 1.35 H new ATOM 0 HZ PHE A 70 3.328 -6.243 -1.116 1.00 1.48 H new ATOM 999 N THR A 71 2.748 -7.234 -8.451 1.00 1.13 N ATOM 1000 CA THR A 71 3.792 -8.182 -8.924 1.00 1.16 C ATOM 1001 C THR A 71 5.157 -7.501 -8.829 1.00 1.11 C ATOM 1002 O THR A 71 5.567 -6.788 -9.724 1.00 1.39 O ATOM 1003 CB THR A 71 3.515 -8.557 -10.382 1.00 1.26 C ATOM 1004 OG1 THR A 71 2.871 -7.469 -11.030 1.00 1.15 O ATOM 1005 CG2 THR A 71 2.617 -9.792 -10.440 1.00 1.80 C ATOM 0 H THR A 71 2.462 -6.532 -9.133 1.00 1.13 H new ATOM 0 HA THR A 71 3.781 -9.082 -8.309 1.00 1.16 H new ATOM 0 HB THR A 71 4.457 -8.779 -10.884 1.00 1.26 H new ATOM 0 HG1 THR A 71 3.270 -6.626 -10.729 1.00 1.15 H new ATOM 0 HG21 THR A 71 2.424 -10.053 -11.481 1.00 1.80 H new ATOM 0 HG22 THR A 71 3.112 -10.626 -9.943 1.00 1.80 H new ATOM 0 HG23 THR A 71 1.673 -9.579 -9.938 1.00 1.80 H new ATOM 1013 N ALA A 72 5.865 -7.703 -7.752 1.00 0.96 N ATOM 1014 CA ALA A 72 7.196 -7.050 -7.613 1.00 0.87 C ATOM 1015 C ALA A 72 7.991 -7.732 -6.500 1.00 0.81 C ATOM 1016 O ALA A 72 7.550 -8.695 -5.905 1.00 0.85 O ATOM 1017 CB ALA A 72 7.001 -5.574 -7.264 1.00 0.81 C ATOM 0 H ALA A 72 5.581 -8.289 -6.967 1.00 0.96 H new ATOM 0 HA ALA A 72 7.742 -7.138 -8.553 1.00 0.87 H new ATOM 0 HB1 ALA A 72 7.974 -5.093 -7.161 1.00 0.81 H new ATOM 0 HB2 ALA A 72 6.436 -5.084 -8.057 1.00 0.81 H new ATOM 0 HB3 ALA A 72 6.455 -5.491 -6.325 1.00 0.81 H new ATOM 1023 N SER A 73 9.163 -7.235 -6.214 1.00 0.75 N ATOM 1024 CA SER A 73 9.992 -7.848 -5.140 1.00 0.72 C ATOM 1025 C SER A 73 11.105 -6.878 -4.744 1.00 0.64 C ATOM 1026 O SER A 73 11.737 -6.265 -5.582 1.00 0.84 O ATOM 1027 CB SER A 73 10.608 -9.151 -5.650 1.00 0.82 C ATOM 1028 OG SER A 73 11.193 -8.925 -6.925 1.00 0.93 O ATOM 0 H SER A 73 9.582 -6.430 -6.679 1.00 0.75 H new ATOM 0 HA SER A 73 9.366 -8.059 -4.273 1.00 0.72 H new ATOM 0 HB2 SER A 73 11.362 -9.509 -4.949 1.00 0.82 H new ATOM 0 HB3 SER A 73 9.844 -9.925 -5.719 1.00 0.82 H new ATOM 0 HG SER A 73 12.109 -9.272 -6.931 1.00 0.93 H new ATOM 1034 N ALA A 74 11.352 -6.735 -3.471 1.00 0.66 N ATOM 1035 CA ALA A 74 12.426 -5.807 -3.021 1.00 0.59 C ATOM 1036 C ALA A 74 13.757 -6.560 -2.987 1.00 0.61 C ATOM 1037 O ALA A 74 13.807 -7.734 -2.680 1.00 0.67 O ATOM 1038 CB ALA A 74 12.099 -5.287 -1.620 1.00 0.59 C ATOM 0 H ALA A 74 10.856 -7.221 -2.724 1.00 0.66 H new ATOM 0 HA ALA A 74 12.496 -4.966 -3.711 1.00 0.59 H new ATOM 0 HB1 ALA A 74 12.886 -4.608 -1.291 1.00 0.59 H new ATOM 0 HB2 ALA A 74 11.147 -4.756 -1.642 1.00 0.59 H new ATOM 0 HB3 ALA A 74 12.031 -6.126 -0.927 1.00 0.59 H new ATOM 1044 N THR A 75 14.834 -5.896 -3.306 1.00 0.62 N ATOM 1045 CA THR A 75 16.158 -6.573 -3.297 1.00 0.72 C ATOM 1046 C THR A 75 17.168 -5.704 -2.536 1.00 0.72 C ATOM 1047 O THR A 75 17.465 -4.602 -2.956 1.00 0.74 O ATOM 1048 CB THR A 75 16.629 -6.746 -4.741 1.00 0.85 C ATOM 1049 OG1 THR A 75 16.090 -5.700 -5.537 1.00 0.86 O ATOM 1050 CG2 THR A 75 16.152 -8.094 -5.281 1.00 0.97 C ATOM 0 H THR A 75 14.852 -4.912 -3.573 1.00 0.62 H new ATOM 0 HA THR A 75 16.077 -7.545 -2.810 1.00 0.72 H new ATOM 0 HB THR A 75 17.718 -6.711 -4.775 1.00 0.85 H new ATOM 0 HG1 THR A 75 16.391 -5.806 -6.464 1.00 0.86 H new ATOM 0 HG21 THR A 75 16.490 -8.214 -6.310 1.00 0.97 H new ATOM 0 HG22 THR A 75 16.562 -8.897 -4.669 1.00 0.97 H new ATOM 0 HG23 THR A 75 15.063 -8.134 -5.249 1.00 0.97 H new ATOM 1058 N PRO A 76 17.704 -6.175 -1.434 1.00 0.77 N ATOM 1059 CA PRO A 76 17.395 -7.518 -0.851 1.00 0.83 C ATOM 1060 C PRO A 76 15.947 -7.626 -0.363 1.00 0.73 C ATOM 1061 O PRO A 76 15.033 -7.096 -0.961 1.00 0.68 O ATOM 1062 CB PRO A 76 18.354 -7.644 0.341 1.00 0.97 C ATOM 1063 CG PRO A 76 19.374 -6.568 0.167 1.00 1.02 C ATOM 1064 CD PRO A 76 18.690 -5.454 -0.618 1.00 0.85 C ATOM 0 HA PRO A 76 17.515 -8.305 -1.596 1.00 0.83 H new ATOM 0 HB2 PRO A 76 17.821 -7.527 1.284 1.00 0.97 H new ATOM 0 HB3 PRO A 76 18.824 -8.627 0.361 1.00 0.97 H new ATOM 0 HG2 PRO A 76 19.725 -6.204 1.133 1.00 1.02 H new ATOM 0 HG3 PRO A 76 20.247 -6.942 -0.369 1.00 1.02 H new ATOM 0 HD2 PRO A 76 18.214 -4.730 0.043 1.00 0.85 H new ATOM 0 HD3 PRO A 76 19.399 -4.903 -1.236 1.00 0.85 H new ATOM 1072 N ASP A 77 15.737 -8.305 0.729 1.00 0.81 N ATOM 1073 CA ASP A 77 14.356 -8.449 1.267 1.00 0.76 C ATOM 1074 C ASP A 77 14.106 -7.378 2.331 1.00 0.72 C ATOM 1075 O ASP A 77 15.018 -6.926 2.995 1.00 0.78 O ATOM 1076 CB ASP A 77 14.195 -9.836 1.894 1.00 0.91 C ATOM 1077 CG ASP A 77 15.105 -10.831 1.171 1.00 1.09 C ATOM 1078 OD1 ASP A 77 16.303 -10.602 1.150 1.00 1.75 O ATOM 1079 OD2 ASP A 77 14.588 -11.806 0.650 1.00 1.30 O ATOM 0 H ASP A 77 16.464 -8.768 1.274 1.00 0.81 H new ATOM 0 HA ASP A 77 13.638 -8.330 0.456 1.00 0.76 H new ATOM 0 HB2 ASP A 77 14.448 -9.799 2.954 1.00 0.91 H new ATOM 0 HB3 ASP A 77 13.157 -10.160 1.825 1.00 0.91 H new ATOM 1084 N MET A 78 12.877 -6.970 2.500 1.00 0.75 N ATOM 1085 CA MET A 78 12.571 -5.930 3.522 1.00 0.87 C ATOM 1086 C MET A 78 11.076 -5.602 3.486 1.00 0.89 C ATOM 1087 O MET A 78 10.431 -5.722 2.463 1.00 0.93 O ATOM 1088 CB MET A 78 13.374 -4.662 3.217 1.00 1.01 C ATOM 1089 CG MET A 78 13.180 -4.273 1.750 1.00 1.19 C ATOM 1090 SD MET A 78 14.638 -3.374 1.167 1.00 1.83 S ATOM 1091 CE MET A 78 14.433 -1.909 2.210 1.00 2.16 C ATOM 0 H MET A 78 12.073 -7.312 1.974 1.00 0.75 H new ATOM 0 HA MET A 78 12.839 -6.304 4.510 1.00 0.87 H new ATOM 0 HB2 MET A 78 13.049 -3.849 3.866 1.00 1.01 H new ATOM 0 HB3 MET A 78 14.431 -4.830 3.422 1.00 1.01 H new ATOM 0 HG2 MET A 78 13.023 -5.165 1.144 1.00 1.19 H new ATOM 0 HG3 MET A 78 12.290 -3.653 1.642 1.00 1.19 H new ATOM 0 HE1 MET A 78 14.432 -1.015 1.586 1.00 2.16 H new ATOM 0 HE2 MET A 78 13.488 -1.976 2.749 1.00 2.16 H new ATOM 0 HE3 MET A 78 15.255 -1.853 2.924 1.00 2.16 H new ATOM 1101 N PRO A 79 10.533 -5.187 4.599 1.00 0.96 N ATOM 1102 CA PRO A 79 9.090 -4.828 4.708 1.00 1.04 C ATOM 1103 C PRO A 79 8.776 -3.485 4.046 1.00 1.13 C ATOM 1104 O PRO A 79 9.336 -2.464 4.394 1.00 1.28 O ATOM 1105 CB PRO A 79 8.850 -4.748 6.217 1.00 1.12 C ATOM 1106 CG PRO A 79 10.180 -4.417 6.810 1.00 1.38 C ATOM 1107 CD PRO A 79 11.238 -5.016 5.881 1.00 1.11 C ATOM 0 HA PRO A 79 8.453 -5.553 4.202 1.00 1.04 H new ATOM 0 HB2 PRO A 79 8.111 -3.984 6.458 1.00 1.12 H new ATOM 0 HB3 PRO A 79 8.470 -5.693 6.606 1.00 1.12 H new ATOM 0 HG2 PRO A 79 10.307 -3.338 6.896 1.00 1.38 H new ATOM 0 HG3 PRO A 79 10.269 -4.830 7.815 1.00 1.38 H new ATOM 0 HD2 PRO A 79 12.099 -4.355 5.778 1.00 1.11 H new ATOM 0 HD3 PRO A 79 11.610 -5.967 6.261 1.00 1.11 H new ATOM 1115 N VAL A 80 7.884 -3.476 3.094 1.00 1.13 N ATOM 1116 CA VAL A 80 7.536 -2.196 2.413 1.00 1.31 C ATOM 1117 C VAL A 80 6.202 -1.678 2.952 1.00 1.45 C ATOM 1118 O VAL A 80 5.523 -2.348 3.707 1.00 1.98 O ATOM 1119 CB VAL A 80 7.420 -2.434 0.906 1.00 1.56 C ATOM 1120 CG1 VAL A 80 8.586 -3.303 0.434 1.00 2.01 C ATOM 1121 CG2 VAL A 80 6.099 -3.146 0.605 1.00 1.79 C ATOM 0 H VAL A 80 7.382 -4.298 2.758 1.00 1.13 H new ATOM 0 HA VAL A 80 8.316 -1.459 2.605 1.00 1.31 H new ATOM 0 HB VAL A 80 7.447 -1.478 0.384 1.00 1.56 H new ATOM 0 HG11 VAL A 80 8.503 -3.472 -0.640 1.00 2.01 H new ATOM 0 HG12 VAL A 80 9.527 -2.797 0.650 1.00 2.01 H new ATOM 0 HG13 VAL A 80 8.561 -4.260 0.955 1.00 2.01 H new ATOM 0 HG21 VAL A 80 6.014 -3.317 -0.468 1.00 1.79 H new ATOM 0 HG22 VAL A 80 6.074 -4.102 1.128 1.00 1.79 H new ATOM 0 HG23 VAL A 80 5.267 -2.527 0.941 1.00 1.79 H new ATOM 1131 N ARG A 81 5.820 -0.490 2.571 1.00 1.48 N ATOM 1132 CA ARG A 81 4.531 0.072 3.063 1.00 1.84 C ATOM 1133 C ARG A 81 3.560 0.225 1.889 1.00 2.04 C ATOM 1134 O ARG A 81 3.945 0.150 0.739 1.00 2.57 O ATOM 1135 CB ARG A 81 4.780 1.442 3.697 1.00 2.24 C ATOM 1136 CG ARG A 81 5.254 1.259 5.142 1.00 2.95 C ATOM 1137 CD ARG A 81 6.401 0.247 5.180 1.00 4.04 C ATOM 1138 NE ARG A 81 7.232 0.487 6.393 1.00 4.81 N ATOM 1139 CZ ARG A 81 8.077 -0.423 6.793 1.00 5.14 C ATOM 1140 NH1 ARG A 81 8.195 -1.542 6.132 1.00 4.94 N ATOM 1141 NH2 ARG A 81 8.806 -0.215 7.856 1.00 6.01 N ATOM 0 H ARG A 81 6.345 0.116 1.940 1.00 1.48 H new ATOM 0 HA ARG A 81 4.102 -0.601 3.806 1.00 1.84 H new ATOM 0 HB2 ARG A 81 5.529 1.989 3.124 1.00 2.24 H new ATOM 0 HB3 ARG A 81 3.866 2.036 3.675 1.00 2.24 H new ATOM 0 HG2 ARG A 81 5.584 2.214 5.551 1.00 2.95 H new ATOM 0 HG3 ARG A 81 4.429 0.913 5.765 1.00 2.95 H new ATOM 0 HD2 ARG A 81 6.005 -0.768 5.192 1.00 4.04 H new ATOM 0 HD3 ARG A 81 7.012 0.340 4.282 1.00 4.04 H new ATOM 0 HE ARG A 81 7.140 1.361 6.910 1.00 4.81 H new ATOM 0 HH11 ARG A 81 7.626 -1.706 5.301 1.00 4.94 H new ATOM 0 HH12 ARG A 81 8.856 -2.252 6.446 1.00 4.94 H new ATOM 0 HH21 ARG A 81 8.715 0.659 8.374 1.00 6.01 H new ATOM 0 HH22 ARG A 81 9.467 -0.927 8.169 1.00 6.01 H new ATOM 1155 N VAL A 82 2.304 0.441 2.171 1.00 2.00 N ATOM 1156 CA VAL A 82 1.309 0.601 1.074 1.00 2.41 C ATOM 1157 C VAL A 82 0.067 1.310 1.617 1.00 1.99 C ATOM 1158 O VAL A 82 -0.208 1.281 2.800 1.00 1.85 O ATOM 1159 CB VAL A 82 0.913 -0.775 0.534 1.00 3.05 C ATOM 1160 CG1 VAL A 82 -0.195 -0.615 -0.508 1.00 3.76 C ATOM 1161 CG2 VAL A 82 2.128 -1.441 -0.116 1.00 3.57 C ATOM 0 H VAL A 82 1.924 0.514 3.115 1.00 2.00 H new ATOM 0 HA VAL A 82 1.747 1.192 0.270 1.00 2.41 H new ATOM 0 HB VAL A 82 0.555 -1.395 1.356 1.00 3.05 H new ATOM 0 HG11 VAL A 82 -0.477 -1.595 -0.893 1.00 3.76 H new ATOM 0 HG12 VAL A 82 -1.063 -0.143 -0.047 1.00 3.76 H new ATOM 0 HG13 VAL A 82 0.164 0.007 -1.328 1.00 3.76 H new ATOM 0 HG21 VAL A 82 1.844 -2.421 -0.500 1.00 3.57 H new ATOM 0 HG22 VAL A 82 2.488 -0.820 -0.937 1.00 3.57 H new ATOM 0 HG23 VAL A 82 2.919 -1.557 0.625 1.00 3.57 H new ATOM 1171 N LEU A 83 -0.686 1.947 0.763 1.00 2.02 N ATOM 1172 CA LEU A 83 -1.911 2.655 1.237 1.00 1.82 C ATOM 1173 C LEU A 83 -2.862 2.871 0.059 1.00 1.64 C ATOM 1174 O LEU A 83 -2.442 3.045 -1.067 1.00 1.78 O ATOM 1175 CB LEU A 83 -1.519 4.010 1.831 1.00 2.29 C ATOM 1176 CG LEU A 83 -0.704 4.799 0.806 1.00 1.71 C ATOM 1177 CD1 LEU A 83 -1.048 6.286 0.915 1.00 1.99 C ATOM 1178 CD2 LEU A 83 0.788 4.600 1.082 1.00 1.42 C ATOM 0 H LEU A 83 -0.508 2.009 -0.239 1.00 2.02 H new ATOM 0 HA LEU A 83 -2.407 2.054 1.999 1.00 1.82 H new ATOM 0 HB2 LEU A 83 -2.412 4.569 2.109 1.00 2.29 H new ATOM 0 HB3 LEU A 83 -0.937 3.865 2.741 1.00 2.29 H new ATOM 0 HG LEU A 83 -0.940 4.445 -0.197 1.00 1.71 H new ATOM 0 HD11 LEU A 83 -0.467 6.848 0.184 1.00 1.99 H new ATOM 0 HD12 LEU A 83 -2.111 6.429 0.721 1.00 1.99 H new ATOM 0 HD13 LEU A 83 -0.811 6.642 1.918 1.00 1.99 H new ATOM 0 HD21 LEU A 83 1.371 5.162 0.352 1.00 1.42 H new ATOM 0 HD22 LEU A 83 1.023 4.955 2.085 1.00 1.42 H new ATOM 0 HD23 LEU A 83 1.034 3.541 1.005 1.00 1.42 H new ATOM 1190 N VAL A 84 -4.144 2.863 0.308 1.00 1.54 N ATOM 1191 CA VAL A 84 -5.116 3.071 -0.805 1.00 1.53 C ATOM 1192 C VAL A 84 -6.390 3.728 -0.269 1.00 1.46 C ATOM 1193 O VAL A 84 -6.788 3.511 0.859 1.00 1.51 O ATOM 1194 CB VAL A 84 -5.466 1.727 -1.443 1.00 1.58 C ATOM 1195 CG1 VAL A 84 -5.745 1.927 -2.934 1.00 1.89 C ATOM 1196 CG2 VAL A 84 -4.294 0.758 -1.274 1.00 1.84 C ATOM 0 H VAL A 84 -4.559 2.722 1.229 1.00 1.54 H new ATOM 0 HA VAL A 84 -4.664 3.721 -1.554 1.00 1.53 H new ATOM 0 HB VAL A 84 -6.351 1.317 -0.957 1.00 1.58 H new ATOM 0 HG11 VAL A 84 -5.995 0.969 -3.389 1.00 1.89 H new ATOM 0 HG12 VAL A 84 -6.580 2.616 -3.059 1.00 1.89 H new ATOM 0 HG13 VAL A 84 -4.859 2.339 -3.418 1.00 1.89 H new ATOM 0 HG21 VAL A 84 -4.545 -0.200 -1.729 1.00 1.84 H new ATOM 0 HG22 VAL A 84 -3.409 1.169 -1.759 1.00 1.84 H new ATOM 0 HG23 VAL A 84 -4.092 0.613 -0.213 1.00 1.84 H new ATOM 1206 N GLY A 85 -7.032 4.527 -1.077 1.00 1.45 N ATOM 1207 CA GLY A 85 -8.282 5.203 -0.629 1.00 1.49 C ATOM 1208 C GLY A 85 -8.538 6.426 -1.513 1.00 1.17 C ATOM 1209 O GLY A 85 -8.476 6.351 -2.723 1.00 1.15 O ATOM 0 H GLY A 85 -6.743 4.741 -2.032 1.00 1.45 H new ATOM 0 HA2 GLY A 85 -9.124 4.513 -0.689 1.00 1.49 H new ATOM 0 HA3 GLY A 85 -8.192 5.506 0.414 1.00 1.49 H new ATOM 1213 N GLU A 86 -8.821 7.553 -0.919 1.00 1.14 N ATOM 1214 CA GLU A 86 -9.074 8.777 -1.731 1.00 1.19 C ATOM 1215 C GLU A 86 -7.756 9.524 -1.948 1.00 1.21 C ATOM 1216 O GLU A 86 -6.715 9.119 -1.468 1.00 1.63 O ATOM 1217 CB GLU A 86 -10.059 9.691 -0.998 1.00 1.44 C ATOM 1218 CG GLU A 86 -9.874 9.542 0.514 1.00 1.42 C ATOM 1219 CD GLU A 86 -10.546 10.716 1.228 1.00 1.91 C ATOM 1220 OE1 GLU A 86 -11.702 10.976 0.939 1.00 2.54 O ATOM 1221 OE2 GLU A 86 -9.893 11.334 2.052 1.00 2.03 O ATOM 0 H GLU A 86 -8.888 7.679 0.091 1.00 1.14 H new ATOM 0 HA GLU A 86 -9.497 8.489 -2.693 1.00 1.19 H new ATOM 0 HB2 GLU A 86 -9.897 10.728 -1.293 1.00 1.44 H new ATOM 0 HB3 GLU A 86 -11.082 9.437 -1.276 1.00 1.44 H new ATOM 0 HG2 GLU A 86 -10.306 8.601 0.853 1.00 1.42 H new ATOM 0 HG3 GLU A 86 -8.813 9.512 0.760 1.00 1.42 H new ATOM 1228 N GLY A 87 -7.792 10.613 -2.666 1.00 1.18 N ATOM 1229 CA GLY A 87 -6.542 11.385 -2.910 1.00 1.38 C ATOM 1230 C GLY A 87 -6.804 12.873 -2.668 1.00 1.20 C ATOM 1231 O GLY A 87 -6.306 13.724 -3.379 1.00 1.26 O ATOM 0 H GLY A 87 -8.633 11.001 -3.094 1.00 1.18 H new ATOM 0 HA2 GLY A 87 -5.750 11.032 -2.250 1.00 1.38 H new ATOM 0 HA3 GLY A 87 -6.198 11.227 -3.932 1.00 1.38 H new ATOM 1280 N ARG A 92 -9.305 10.293 4.806 1.00 2.28 N ATOM 1281 CA ARG A 92 -9.733 9.044 5.497 1.00 2.12 C ATOM 1282 C ARG A 92 -9.665 7.870 4.518 1.00 1.84 C ATOM 1283 O ARG A 92 -10.339 7.852 3.507 1.00 2.05 O ATOM 1284 CB ARG A 92 -11.170 9.204 5.996 1.00 2.02 C ATOM 1285 CG ARG A 92 -11.160 9.588 7.478 1.00 2.72 C ATOM 1286 CD ARG A 92 -12.574 9.458 8.047 1.00 3.19 C ATOM 1287 NE ARG A 92 -12.934 10.698 8.796 1.00 4.00 N ATOM 1288 CZ ARG A 92 -12.074 11.270 9.597 1.00 4.78 C ATOM 1289 NH1 ARG A 92 -10.910 10.721 9.814 1.00 4.91 N ATOM 1290 NH2 ARG A 92 -12.388 12.384 10.199 1.00 5.74 N ATOM 0 HA ARG A 92 -9.072 8.853 6.342 1.00 2.12 H new ATOM 0 HB2 ARG A 92 -11.684 9.970 5.415 1.00 2.02 H new ATOM 0 HB3 ARG A 92 -11.720 8.274 5.855 1.00 2.02 H new ATOM 0 HG2 ARG A 92 -10.474 8.943 8.027 1.00 2.72 H new ATOM 0 HG3 ARG A 92 -10.801 10.610 7.598 1.00 2.72 H new ATOM 0 HD2 ARG A 92 -13.287 9.290 7.240 1.00 3.19 H new ATOM 0 HD3 ARG A 92 -12.632 8.593 8.708 1.00 3.19 H new ATOM 0 HE ARG A 92 -13.863 11.104 8.681 1.00 4.00 H new ATOM 0 HH11 ARG A 92 -10.668 9.842 9.358 1.00 4.91 H new ATOM 0 HH12 ARG A 92 -10.242 11.171 10.440 1.00 4.91 H new ATOM 0 HH21 ARG A 92 -13.303 12.807 10.044 1.00 5.74 H new ATOM 0 HH22 ARG A 92 -11.718 12.832 10.825 1.00 5.74 H new ATOM 1304 N THR A 93 -8.858 6.886 4.812 1.00 1.67 N ATOM 1305 CA THR A 93 -8.753 5.712 3.899 1.00 1.74 C ATOM 1306 C THR A 93 -8.957 4.422 4.689 1.00 1.95 C ATOM 1307 O THR A 93 -8.822 4.388 5.897 1.00 2.27 O ATOM 1308 CB THR A 93 -7.368 5.682 3.250 1.00 1.70 C ATOM 1309 OG1 THR A 93 -6.998 4.333 3.002 1.00 2.15 O ATOM 1310 CG2 THR A 93 -6.346 6.325 4.187 1.00 1.74 C ATOM 0 H THR A 93 -8.268 6.845 5.643 1.00 1.67 H new ATOM 0 HA THR A 93 -9.519 5.796 3.128 1.00 1.74 H new ATOM 0 HB THR A 93 -7.394 6.236 2.312 1.00 1.70 H new ATOM 0 HG1 THR A 93 -6.686 4.244 2.077 1.00 2.15 H new ATOM 0 HG21 THR A 93 -5.361 6.302 3.722 1.00 1.74 H new ATOM 0 HG22 THR A 93 -6.631 7.359 4.382 1.00 1.74 H new ATOM 0 HG23 THR A 93 -6.316 5.773 5.127 1.00 1.74 H new ATOM 1318 N ALA A 94 -9.269 3.356 4.010 1.00 2.15 N ATOM 1319 CA ALA A 94 -9.468 2.057 4.708 1.00 2.71 C ATOM 1320 C ALA A 94 -8.313 1.122 4.351 1.00 2.70 C ATOM 1321 O ALA A 94 -8.043 0.161 5.043 1.00 3.18 O ATOM 1322 CB ALA A 94 -10.791 1.433 4.260 1.00 3.28 C ATOM 0 H ALA A 94 -9.395 3.328 2.998 1.00 2.15 H new ATOM 0 HA ALA A 94 -9.495 2.216 5.786 1.00 2.71 H new ATOM 0 HB1 ALA A 94 -10.936 0.482 4.772 1.00 3.28 H new ATOM 0 HB2 ALA A 94 -11.612 2.106 4.506 1.00 3.28 H new ATOM 0 HB3 ALA A 94 -10.768 1.266 3.183 1.00 3.28 H new ATOM 1328 N PHE A 95 -7.627 1.398 3.273 1.00 2.24 N ATOM 1329 CA PHE A 95 -6.489 0.525 2.874 1.00 2.32 C ATOM 1330 C PHE A 95 -5.201 1.060 3.500 1.00 1.89 C ATOM 1331 O PHE A 95 -4.157 1.068 2.880 1.00 2.04 O ATOM 1332 CB PHE A 95 -6.356 0.550 1.354 1.00 2.74 C ATOM 1333 CG PHE A 95 -5.827 -0.775 0.859 1.00 2.97 C ATOM 1334 CD1 PHE A 95 -4.867 -1.476 1.598 1.00 3.27 C ATOM 1335 CD2 PHE A 95 -6.302 -1.303 -0.348 1.00 3.34 C ATOM 1336 CE1 PHE A 95 -4.381 -2.703 1.131 1.00 3.55 C ATOM 1337 CE2 PHE A 95 -5.816 -2.529 -0.815 1.00 3.65 C ATOM 1338 CZ PHE A 95 -4.857 -3.230 -0.077 1.00 3.60 C ATOM 0 H PHE A 95 -7.807 2.189 2.654 1.00 2.24 H new ATOM 0 HA PHE A 95 -6.666 -0.495 3.215 1.00 2.32 H new ATOM 0 HB2 PHE A 95 -7.325 0.757 0.899 1.00 2.74 H new ATOM 0 HB3 PHE A 95 -5.685 1.354 1.053 1.00 2.74 H new ATOM 0 HD1 PHE A 95 -4.501 -1.070 2.529 1.00 3.27 H new ATOM 0 HD2 PHE A 95 -7.044 -0.764 -0.918 1.00 3.34 H new ATOM 0 HE1 PHE A 95 -3.640 -3.243 1.701 1.00 3.55 H new ATOM 0 HE2 PHE A 95 -6.182 -2.935 -1.747 1.00 3.65 H new ATOM 0 HZ PHE A 95 -4.483 -4.177 -0.438 1.00 3.60 H new ATOM 1348 N GLU A 96 -5.264 1.521 4.717 1.00 1.92 N ATOM 1349 CA GLU A 96 -4.037 2.065 5.364 1.00 2.11 C ATOM 1350 C GLU A 96 -3.257 0.932 6.032 1.00 1.99 C ATOM 1351 O GLU A 96 -3.514 0.570 7.163 1.00 2.04 O ATOM 1352 CB GLU A 96 -4.433 3.104 6.416 1.00 2.46 C ATOM 1353 CG GLU A 96 -5.401 2.471 7.419 1.00 3.05 C ATOM 1354 CD GLU A 96 -6.534 3.453 7.723 1.00 3.87 C ATOM 1355 OE1 GLU A 96 -6.248 4.511 8.259 1.00 4.60 O ATOM 1356 OE2 GLU A 96 -7.669 3.131 7.414 1.00 4.04 O ATOM 0 H GLU A 96 -6.107 1.545 5.290 1.00 1.92 H new ATOM 0 HA GLU A 96 -3.409 2.534 4.607 1.00 2.11 H new ATOM 0 HB2 GLU A 96 -3.546 3.471 6.932 1.00 2.46 H new ATOM 0 HB3 GLU A 96 -4.901 3.964 5.936 1.00 2.46 H new ATOM 0 HG2 GLU A 96 -5.807 1.544 7.013 1.00 3.05 H new ATOM 0 HG3 GLU A 96 -4.873 2.213 8.337 1.00 3.05 H new ATOM 1363 N GLN A 97 -2.300 0.372 5.345 1.00 2.12 N ATOM 1364 CA GLN A 97 -1.497 -0.733 5.942 1.00 2.35 C ATOM 1365 C GLN A 97 -0.040 -0.285 6.065 1.00 2.76 C ATOM 1366 O GLN A 97 0.254 0.893 6.114 1.00 3.44 O ATOM 1367 CB GLN A 97 -1.580 -1.969 5.046 1.00 2.59 C ATOM 1368 CG GLN A 97 -0.670 -1.784 3.830 1.00 2.67 C ATOM 1369 CD GLN A 97 -1.161 -2.670 2.685 1.00 2.83 C ATOM 1370 OE1 GLN A 97 -1.168 -3.880 2.798 1.00 2.75 O ATOM 1371 NE2 GLN A 97 -1.576 -2.116 1.579 1.00 3.46 N ATOM 0 H GLN A 97 -2.039 0.632 4.394 1.00 2.12 H new ATOM 0 HA GLN A 97 -1.889 -0.979 6.929 1.00 2.35 H new ATOM 0 HB2 GLN A 97 -1.281 -2.856 5.605 1.00 2.59 H new ATOM 0 HB3 GLN A 97 -2.609 -2.127 4.722 1.00 2.59 H new ATOM 0 HG2 GLN A 97 -0.668 -0.739 3.520 1.00 2.67 H new ATOM 0 HG3 GLN A 97 0.357 -2.042 4.089 1.00 2.67 H new ATOM 0 HE21 GLN A 97 -1.570 -1.100 1.484 1.00 3.46 H new ATOM 0 HE22 GLN A 97 -1.906 -2.698 0.810 1.00 3.46 H new ATOM 1380 N GLY A 98 0.880 -1.211 6.114 1.00 2.66 N ATOM 1381 CA GLY A 98 2.313 -0.822 6.232 1.00 3.12 C ATOM 1382 C GLY A 98 3.187 -2.073 6.342 1.00 2.94 C ATOM 1383 O GLY A 98 4.351 -2.059 5.992 1.00 3.67 O ATOM 0 H GLY A 98 0.702 -2.215 6.078 1.00 2.66 H new ATOM 0 HA2 GLY A 98 2.612 -0.235 5.364 1.00 3.12 H new ATOM 0 HA3 GLY A 98 2.456 -0.190 7.109 1.00 3.12 H new ATOM 1387 N SER A 99 2.643 -3.153 6.830 1.00 2.31 N ATOM 1388 CA SER A 99 3.451 -4.398 6.966 1.00 2.54 C ATOM 1389 C SER A 99 3.301 -5.254 5.706 1.00 2.05 C ATOM 1390 O SER A 99 2.376 -6.031 5.579 1.00 1.87 O ATOM 1391 CB SER A 99 2.962 -5.189 8.179 1.00 3.04 C ATOM 1392 OG SER A 99 3.689 -4.780 9.330 1.00 3.79 O ATOM 0 H SER A 99 1.674 -3.228 7.141 1.00 2.31 H new ATOM 0 HA SER A 99 4.500 -4.134 7.098 1.00 2.54 H new ATOM 0 HB2 SER A 99 1.895 -5.023 8.330 1.00 3.04 H new ATOM 0 HB3 SER A 99 3.097 -6.257 8.010 1.00 3.04 H new ATOM 0 HG SER A 99 3.377 -5.284 10.110 1.00 3.79 H new ATOM 1398 N ALA A 100 4.207 -5.122 4.775 1.00 1.96 N ATOM 1399 CA ALA A 100 4.117 -5.934 3.528 1.00 1.63 C ATOM 1400 C ALA A 100 5.487 -6.543 3.219 1.00 1.41 C ATOM 1401 O ALA A 100 6.220 -6.056 2.382 1.00 1.39 O ATOM 1402 CB ALA A 100 3.679 -5.039 2.367 1.00 1.76 C ATOM 0 H ALA A 100 5.004 -4.488 4.824 1.00 1.96 H new ATOM 0 HA ALA A 100 3.387 -6.732 3.664 1.00 1.63 H new ATOM 0 HB1 ALA A 100 3.613 -5.632 1.455 1.00 1.76 H new ATOM 0 HB2 ALA A 100 2.704 -4.606 2.589 1.00 1.76 H new ATOM 0 HB3 ALA A 100 4.408 -4.240 2.228 1.00 1.76 H new ATOM 1408 N PRO A 101 5.823 -7.605 3.900 1.00 1.67 N ATOM 1409 CA PRO A 101 7.125 -8.311 3.717 1.00 1.70 C ATOM 1410 C PRO A 101 7.409 -8.655 2.251 1.00 1.06 C ATOM 1411 O PRO A 101 6.569 -9.187 1.553 1.00 1.45 O ATOM 1412 CB PRO A 101 6.970 -9.592 4.540 1.00 2.69 C ATOM 1413 CG PRO A 101 5.915 -9.293 5.552 1.00 2.97 C ATOM 1414 CD PRO A 101 4.989 -8.250 4.926 1.00 2.35 C ATOM 0 HA PRO A 101 7.961 -7.687 4.031 1.00 1.70 H new ATOM 0 HB2 PRO A 101 6.680 -10.431 3.908 1.00 2.69 H new ATOM 0 HB3 PRO A 101 7.909 -9.865 5.021 1.00 2.69 H new ATOM 0 HG2 PRO A 101 5.362 -10.195 5.812 1.00 2.97 H new ATOM 0 HG3 PRO A 101 6.358 -8.914 6.473 1.00 2.97 H new ATOM 0 HD2 PRO A 101 4.104 -8.713 4.489 1.00 2.35 H new ATOM 0 HD3 PRO A 101 4.639 -7.531 5.667 1.00 2.35 H new ATOM 1422 N LEU A 102 8.592 -8.362 1.784 1.00 0.99 N ATOM 1423 CA LEU A 102 8.938 -8.677 0.369 1.00 1.10 C ATOM 1424 C LEU A 102 10.199 -9.545 0.340 1.00 0.93 C ATOM 1425 O LEU A 102 11.036 -9.468 1.218 1.00 1.33 O ATOM 1426 CB LEU A 102 9.192 -7.380 -0.402 1.00 2.00 C ATOM 1427 CG LEU A 102 7.881 -6.887 -1.020 1.00 2.39 C ATOM 1428 CD1 LEU A 102 8.120 -5.556 -1.732 1.00 3.06 C ATOM 1429 CD2 LEU A 102 7.375 -7.920 -2.029 1.00 2.31 C ATOM 0 H LEU A 102 9.335 -7.917 2.323 1.00 0.99 H new ATOM 0 HA LEU A 102 8.112 -9.214 -0.096 1.00 1.10 H new ATOM 0 HB2 LEU A 102 9.599 -6.621 0.266 1.00 2.00 H new ATOM 0 HB3 LEU A 102 9.934 -7.548 -1.183 1.00 2.00 H new ATOM 0 HG LEU A 102 7.138 -6.750 -0.234 1.00 2.39 H new ATOM 0 HD11 LEU A 102 7.186 -5.206 -2.172 1.00 3.06 H new ATOM 0 HD12 LEU A 102 8.482 -4.819 -1.015 1.00 3.06 H new ATOM 0 HD13 LEU A 102 8.863 -5.692 -2.518 1.00 3.06 H new ATOM 0 HD21 LEU A 102 6.441 -7.571 -2.470 1.00 2.31 H new ATOM 0 HD22 LEU A 102 8.119 -8.056 -2.814 1.00 2.31 H new ATOM 0 HD23 LEU A 102 7.204 -8.870 -1.522 1.00 2.31 H new ATOM 1441 N THR A 103 10.340 -10.376 -0.657 1.00 1.21 N ATOM 1442 CA THR A 103 11.545 -11.251 -0.733 1.00 1.09 C ATOM 1443 C THR A 103 12.607 -10.596 -1.618 1.00 1.38 C ATOM 1444 O THR A 103 12.570 -9.410 -1.877 1.00 1.81 O ATOM 1445 CB THR A 103 11.153 -12.607 -1.325 1.00 1.79 C ATOM 1446 OG1 THR A 103 12.263 -13.490 -1.258 1.00 2.04 O ATOM 1447 CG2 THR A 103 10.730 -12.425 -2.784 1.00 2.34 C ATOM 0 H THR A 103 9.674 -10.487 -1.421 1.00 1.21 H new ATOM 0 HA THR A 103 11.950 -11.392 0.269 1.00 1.09 H new ATOM 0 HB THR A 103 10.322 -13.025 -0.758 1.00 1.79 H new ATOM 0 HG1 THR A 103 12.013 -14.359 -1.635 1.00 2.04 H new ATOM 0 HG21 THR A 103 10.451 -13.391 -3.205 1.00 2.34 H new ATOM 0 HG22 THR A 103 9.878 -11.747 -2.834 1.00 2.34 H new ATOM 0 HG23 THR A 103 11.560 -12.007 -3.354 1.00 2.34 H new ATOM 1455 N GLY A 104 13.558 -11.364 -2.080 1.00 1.62 N ATOM 1456 CA GLY A 104 14.628 -10.791 -2.946 1.00 2.17 C ATOM 1457 C GLY A 104 14.274 -11.008 -4.418 1.00 1.60 C ATOM 1458 O GLY A 104 14.594 -10.202 -5.269 1.00 1.83 O ATOM 0 H GLY A 104 13.639 -12.364 -1.895 1.00 1.62 H new ATOM 0 HA2 GLY A 104 14.742 -9.726 -2.743 1.00 2.17 H new ATOM 0 HA3 GLY A 104 15.584 -11.263 -2.719 1.00 2.17 H new ATOM 1462 N GLU A 105 13.615 -12.091 -4.728 1.00 1.22 N ATOM 1463 CA GLU A 105 13.244 -12.357 -6.146 1.00 1.09 C ATOM 1464 C GLU A 105 11.781 -11.970 -6.372 1.00 1.06 C ATOM 1465 O GLU A 105 11.025 -11.799 -5.436 1.00 1.08 O ATOM 1466 CB GLU A 105 13.432 -13.845 -6.450 1.00 1.40 C ATOM 1467 CG GLU A 105 14.683 -14.038 -7.309 1.00 1.95 C ATOM 1468 CD GLU A 105 15.930 -13.799 -6.456 1.00 2.43 C ATOM 1469 OE1 GLU A 105 15.965 -14.292 -5.341 1.00 3.02 O ATOM 1470 OE2 GLU A 105 16.830 -13.127 -6.933 1.00 2.75 O ATOM 0 H GLU A 105 13.318 -12.803 -4.061 1.00 1.22 H new ATOM 0 HA GLU A 105 13.881 -11.768 -6.806 1.00 1.09 H new ATOM 0 HB2 GLU A 105 13.526 -14.407 -5.521 1.00 1.40 H new ATOM 0 HB3 GLU A 105 12.557 -14.234 -6.971 1.00 1.40 H new ATOM 0 HG2 GLU A 105 14.701 -15.046 -7.723 1.00 1.95 H new ATOM 0 HG3 GLU A 105 14.668 -13.347 -8.152 1.00 1.95 H new ATOM 1477 N PRO A 106 11.389 -11.837 -7.609 1.00 1.08 N ATOM 1478 CA PRO A 106 9.995 -11.466 -7.979 1.00 1.12 C ATOM 1479 C PRO A 106 8.959 -12.239 -7.160 1.00 1.24 C ATOM 1480 O PRO A 106 9.005 -13.450 -7.067 1.00 1.42 O ATOM 1481 CB PRO A 106 9.904 -11.843 -9.456 1.00 1.26 C ATOM 1482 CG PRO A 106 11.300 -11.748 -9.977 1.00 1.20 C ATOM 1483 CD PRO A 106 12.238 -12.026 -8.797 1.00 1.13 C ATOM 0 HA PRO A 106 9.785 -10.414 -7.786 1.00 1.12 H new ATOM 0 HB2 PRO A 106 9.506 -12.850 -9.580 1.00 1.26 H new ATOM 0 HB3 PRO A 106 9.238 -11.168 -9.993 1.00 1.26 H new ATOM 0 HG2 PRO A 106 11.463 -12.470 -10.778 1.00 1.20 H new ATOM 0 HG3 PRO A 106 11.489 -10.759 -10.396 1.00 1.20 H new ATOM 0 HD2 PRO A 106 12.643 -13.037 -8.840 1.00 1.13 H new ATOM 0 HD3 PRO A 106 13.087 -11.342 -8.793 1.00 1.13 H new ATOM 1491 N ALA A 107 8.025 -11.552 -6.561 1.00 1.17 N ATOM 1492 CA ALA A 107 6.993 -12.253 -5.747 1.00 1.31 C ATOM 1493 C ALA A 107 5.779 -11.341 -5.558 1.00 1.24 C ATOM 1494 O ALA A 107 5.910 -10.147 -5.365 1.00 1.04 O ATOM 1495 CB ALA A 107 7.579 -12.612 -4.381 1.00 1.37 C ATOM 0 H ALA A 107 7.932 -10.537 -6.600 1.00 1.17 H new ATOM 0 HA ALA A 107 6.684 -13.163 -6.262 1.00 1.31 H new ATOM 0 HB1 ALA A 107 6.824 -13.125 -3.785 1.00 1.37 H new ATOM 0 HB2 ALA A 107 8.441 -13.265 -4.515 1.00 1.37 H new ATOM 0 HB3 ALA A 107 7.890 -11.702 -3.868 1.00 1.37 H new ATOM 1501 N THR A 108 4.601 -11.895 -5.612 1.00 1.45 N ATOM 1502 CA THR A 108 3.377 -11.066 -5.434 1.00 1.43 C ATOM 1503 C THR A 108 2.975 -11.028 -3.960 1.00 1.38 C ATOM 1504 O THR A 108 3.086 -12.006 -3.249 1.00 1.47 O ATOM 1505 CB THR A 108 2.224 -11.665 -6.241 1.00 1.60 C ATOM 1506 OG1 THR A 108 2.413 -13.067 -6.363 1.00 1.72 O ATOM 1507 CG2 THR A 108 2.187 -11.032 -7.630 1.00 1.66 C ATOM 0 H THR A 108 4.432 -12.888 -5.772 1.00 1.45 H new ATOM 0 HA THR A 108 3.590 -10.055 -5.781 1.00 1.43 H new ATOM 0 HB THR A 108 1.282 -11.467 -5.730 1.00 1.60 H new ATOM 0 HG1 THR A 108 1.674 -13.453 -6.878 1.00 1.72 H new ATOM 0 HG21 THR A 108 1.365 -11.460 -8.203 1.00 1.66 H new ATOM 0 HG22 THR A 108 2.042 -9.956 -7.536 1.00 1.66 H new ATOM 0 HG23 THR A 108 3.128 -11.227 -8.144 1.00 1.66 H new ATOM 1515 N ARG A 109 2.470 -9.914 -3.510 1.00 1.33 N ATOM 1516 CA ARG A 109 2.016 -9.822 -2.096 1.00 1.32 C ATOM 1517 C ARG A 109 0.593 -9.280 -2.119 1.00 1.37 C ATOM 1518 O ARG A 109 0.229 -8.549 -3.014 1.00 1.49 O ATOM 1519 CB ARG A 109 2.915 -8.879 -1.297 1.00 1.27 C ATOM 1520 CG ARG A 109 3.701 -9.680 -0.257 1.00 1.97 C ATOM 1521 CD ARG A 109 4.658 -10.639 -0.969 1.00 2.63 C ATOM 1522 NE ARG A 109 4.508 -12.013 -0.404 1.00 3.48 N ATOM 1523 CZ ARG A 109 4.410 -12.199 0.885 1.00 3.74 C ATOM 1524 NH1 ARG A 109 4.519 -11.190 1.707 1.00 3.39 N ATOM 1525 NH2 ARG A 109 4.225 -13.403 1.355 1.00 4.70 N ATOM 0 H ARG A 109 2.352 -9.063 -4.061 1.00 1.33 H new ATOM 0 HA ARG A 109 2.060 -10.802 -1.620 1.00 1.32 H new ATOM 0 HB2 ARG A 109 3.601 -8.360 -1.966 1.00 1.27 H new ATOM 0 HB3 ARG A 109 2.312 -8.116 -0.804 1.00 1.27 H new ATOM 0 HG2 ARG A 109 4.260 -9.005 0.391 1.00 1.97 H new ATOM 0 HG3 ARG A 109 3.016 -10.239 0.381 1.00 1.97 H new ATOM 0 HD2 ARG A 109 4.448 -10.650 -2.038 1.00 2.63 H new ATOM 0 HD3 ARG A 109 5.686 -10.297 -0.850 1.00 2.63 H new ATOM 0 HE ARG A 109 4.482 -12.816 -1.032 1.00 3.48 H new ATOM 0 HH11 ARG A 109 4.681 -10.251 1.343 1.00 3.39 H new ATOM 0 HH12 ARG A 109 4.442 -11.341 2.713 1.00 3.39 H new ATOM 0 HH21 ARG A 109 4.157 -14.195 0.716 1.00 4.70 H new ATOM 0 HH22 ARG A 109 4.148 -13.551 2.361 1.00 4.70 H new ATOM 1539 N GLU A 110 -0.225 -9.634 -1.173 1.00 1.37 N ATOM 1540 CA GLU A 110 -1.624 -9.130 -1.214 1.00 1.51 C ATOM 1541 C GLU A 110 -2.112 -8.741 0.181 1.00 1.50 C ATOM 1542 O GLU A 110 -1.596 -9.185 1.187 1.00 1.45 O ATOM 1543 CB GLU A 110 -2.534 -10.224 -1.776 1.00 1.79 C ATOM 1544 CG GLU A 110 -1.800 -11.565 -1.743 1.00 2.12 C ATOM 1545 CD GLU A 110 -1.328 -11.855 -0.317 1.00 2.63 C ATOM 1546 OE1 GLU A 110 -1.983 -11.400 0.606 1.00 2.69 O ATOM 1547 OE2 GLU A 110 -0.320 -12.527 -0.172 1.00 3.28 O ATOM 0 H GLU A 110 0.007 -10.240 -0.386 1.00 1.37 H new ATOM 0 HA GLU A 110 -1.653 -8.244 -1.849 1.00 1.51 H new ATOM 0 HB2 GLU A 110 -3.451 -10.285 -1.191 1.00 1.79 H new ATOM 0 HB3 GLU A 110 -2.824 -9.981 -2.798 1.00 1.79 H new ATOM 0 HG2 GLU A 110 -2.460 -12.361 -2.088 1.00 2.12 H new ATOM 0 HG3 GLU A 110 -0.947 -11.541 -2.422 1.00 2.12 H new ATOM 1554 N TYR A 111 -3.130 -7.926 0.233 1.00 1.66 N ATOM 1555 CA TYR A 111 -3.700 -7.506 1.540 1.00 1.81 C ATOM 1556 C TYR A 111 -5.225 -7.601 1.452 1.00 2.14 C ATOM 1557 O TYR A 111 -5.845 -6.974 0.615 1.00 2.42 O ATOM 1558 CB TYR A 111 -3.301 -6.061 1.851 1.00 1.87 C ATOM 1559 CG TYR A 111 -1.871 -5.815 1.432 1.00 1.94 C ATOM 1560 CD1 TYR A 111 -0.840 -6.619 1.938 1.00 1.82 C ATOM 1561 CD2 TYR A 111 -1.574 -4.775 0.545 1.00 2.76 C ATOM 1562 CE1 TYR A 111 0.485 -6.382 1.553 1.00 2.00 C ATOM 1563 CE2 TYR A 111 -0.248 -4.537 0.162 1.00 2.96 C ATOM 1564 CZ TYR A 111 0.780 -5.340 0.666 1.00 2.36 C ATOM 1565 OH TYR A 111 2.086 -5.104 0.289 1.00 2.67 O ATOM 0 H TYR A 111 -3.594 -7.530 -0.584 1.00 1.66 H new ATOM 0 HA TYR A 111 -3.320 -8.152 2.331 1.00 1.81 H new ATOM 0 HB2 TYR A 111 -3.965 -5.372 1.329 1.00 1.87 H new ATOM 0 HB3 TYR A 111 -3.414 -5.866 2.917 1.00 1.87 H new ATOM 0 HD1 TYR A 111 -1.068 -7.421 2.625 1.00 1.82 H new ATOM 0 HD2 TYR A 111 -2.368 -4.155 0.155 1.00 2.76 H new ATOM 0 HE1 TYR A 111 1.279 -7.003 1.940 1.00 2.00 H new ATOM 0 HE2 TYR A 111 -0.019 -3.733 -0.522 1.00 2.96 H new ATOM 0 HH TYR A 111 2.139 -5.042 -0.688 1.00 2.67 H new ATOM 1575 N ALA A 112 -5.832 -8.384 2.299 1.00 2.33 N ATOM 1576 CA ALA A 112 -7.314 -8.521 2.250 1.00 2.71 C ATOM 1577 C ALA A 112 -7.926 -7.950 3.530 1.00 2.50 C ATOM 1578 O ALA A 112 -7.412 -8.139 4.614 1.00 2.65 O ATOM 1579 CB ALA A 112 -7.687 -10.000 2.121 1.00 3.41 C ATOM 0 H ALA A 112 -5.367 -8.934 3.022 1.00 2.33 H new ATOM 0 HA ALA A 112 -7.699 -7.973 1.390 1.00 2.71 H new ATOM 0 HB1 ALA A 112 -8.772 -10.100 2.085 1.00 3.41 H new ATOM 0 HB2 ALA A 112 -7.255 -10.406 1.206 1.00 3.41 H new ATOM 0 HB3 ALA A 112 -7.300 -10.549 2.980 1.00 3.41 H new ATOM 1585 N PHE A 113 -9.024 -7.254 3.413 1.00 2.28 N ATOM 1586 CA PHE A 113 -9.668 -6.673 4.624 1.00 2.20 C ATOM 1587 C PHE A 113 -11.185 -6.637 4.432 1.00 1.67 C ATOM 1588 O PHE A 113 -11.685 -6.764 3.332 1.00 1.59 O ATOM 1589 CB PHE A 113 -9.153 -5.252 4.851 1.00 2.57 C ATOM 1590 CG PHE A 113 -8.842 -4.610 3.520 1.00 2.45 C ATOM 1591 CD1 PHE A 113 -7.681 -4.967 2.825 1.00 2.38 C ATOM 1592 CD2 PHE A 113 -9.716 -3.659 2.980 1.00 2.65 C ATOM 1593 CE1 PHE A 113 -7.393 -4.373 1.591 1.00 2.44 C ATOM 1594 CE2 PHE A 113 -9.429 -3.065 1.746 1.00 2.77 C ATOM 1595 CZ PHE A 113 -8.268 -3.423 1.050 1.00 2.64 C ATOM 0 H PHE A 113 -9.502 -7.063 2.532 1.00 2.28 H new ATOM 0 HA PHE A 113 -9.424 -7.290 5.489 1.00 2.20 H new ATOM 0 HB2 PHE A 113 -9.900 -4.664 5.385 1.00 2.57 H new ATOM 0 HB3 PHE A 113 -8.259 -5.273 5.474 1.00 2.57 H new ATOM 0 HD1 PHE A 113 -7.007 -5.701 3.241 1.00 2.38 H new ATOM 0 HD2 PHE A 113 -10.612 -3.384 3.516 1.00 2.65 H new ATOM 0 HE1 PHE A 113 -6.496 -4.647 1.056 1.00 2.44 H new ATOM 0 HE2 PHE A 113 -10.103 -2.330 1.330 1.00 2.77 H new ATOM 0 HZ PHE A 113 -8.047 -2.967 0.096 1.00 2.64 H new ATOM 1605 N THR A 114 -11.919 -6.462 5.497 1.00 1.53 N ATOM 1606 CA THR A 114 -13.402 -6.415 5.381 1.00 1.47 C ATOM 1607 C THR A 114 -13.864 -4.959 5.333 1.00 1.85 C ATOM 1608 O THR A 114 -13.757 -4.229 6.299 1.00 2.23 O ATOM 1609 CB THR A 114 -14.028 -7.109 6.592 1.00 1.92 C ATOM 1610 OG1 THR A 114 -13.166 -6.972 7.712 1.00 2.12 O ATOM 1611 CG2 THR A 114 -14.233 -8.593 6.283 1.00 2.22 C ATOM 0 H THR A 114 -11.554 -6.350 6.443 1.00 1.53 H new ATOM 0 HA THR A 114 -13.712 -6.924 4.468 1.00 1.47 H new ATOM 0 HB THR A 114 -14.991 -6.650 6.816 1.00 1.92 H new ATOM 0 HG1 THR A 114 -13.567 -7.415 8.489 1.00 2.12 H new ATOM 0 HG21 THR A 114 -14.679 -9.086 7.147 1.00 2.22 H new ATOM 0 HG22 THR A 114 -14.895 -8.698 5.423 1.00 2.22 H new ATOM 0 HG23 THR A 114 -13.271 -9.054 6.058 1.00 2.22 H new ATOM 1619 N SER A 115 -14.382 -4.528 4.214 1.00 2.24 N ATOM 1620 CA SER A 115 -14.853 -3.120 4.105 1.00 2.93 C ATOM 1621 C SER A 115 -15.964 -2.874 5.127 1.00 3.67 C ATOM 1622 O SER A 115 -17.064 -3.370 4.993 1.00 4.11 O ATOM 1623 CB SER A 115 -15.389 -2.872 2.694 1.00 3.21 C ATOM 1624 OG SER A 115 -15.461 -1.473 2.458 1.00 4.06 O ATOM 0 H SER A 115 -14.499 -5.091 3.372 1.00 2.24 H new ATOM 0 HA SER A 115 -14.024 -2.441 4.302 1.00 2.93 H new ATOM 0 HB2 SER A 115 -14.738 -3.344 1.957 1.00 3.21 H new ATOM 0 HB3 SER A 115 -16.375 -3.322 2.583 1.00 3.21 H new ATOM 0 HG SER A 115 -15.639 -1.310 1.508 1.00 4.06 H new ATOM 1630 N ASN A 116 -15.685 -2.111 6.147 1.00 3.92 N ATOM 1631 CA ASN A 116 -16.726 -1.832 7.176 1.00 4.70 C ATOM 1632 C ASN A 116 -16.921 -0.320 7.306 1.00 4.40 C ATOM 1633 O ASN A 116 -17.379 0.173 8.318 1.00 4.82 O ATOM 1634 CB ASN A 116 -16.280 -2.406 8.523 1.00 5.27 C ATOM 1635 CG ASN A 116 -14.771 -2.222 8.682 1.00 6.19 C ATOM 1636 OD1 ASN A 116 -14.294 -1.114 8.825 1.00 6.51 O ATOM 1637 ND2 ASN A 116 -13.992 -3.269 8.663 1.00 6.86 N ATOM 0 H ASN A 116 -14.781 -1.668 6.313 1.00 3.92 H new ATOM 0 HA ASN A 116 -17.666 -2.296 6.877 1.00 4.70 H new ATOM 0 HB2 ASN A 116 -16.806 -1.905 9.336 1.00 5.27 H new ATOM 0 HB3 ASN A 116 -16.536 -3.464 8.582 1.00 5.27 H new ATOM 0 HD21 ASN A 116 -12.984 -3.156 8.768 1.00 6.86 H new ATOM 0 HD22 ASN A 116 -14.392 -4.200 8.543 1.00 6.86 H new ATOM 1644 N LEU A 117 -16.575 0.419 6.288 1.00 3.81 N ATOM 1645 CA LEU A 117 -16.738 1.899 6.350 1.00 3.59 C ATOM 1646 C LEU A 117 -17.024 2.437 4.947 1.00 3.13 C ATOM 1647 O LEU A 117 -16.144 2.523 4.113 1.00 3.28 O ATOM 1648 CB LEU A 117 -15.451 2.531 6.887 1.00 3.83 C ATOM 1649 CG LEU A 117 -15.774 3.868 7.557 1.00 4.66 C ATOM 1650 CD1 LEU A 117 -16.460 4.792 6.550 1.00 5.12 C ATOM 1651 CD2 LEU A 117 -16.705 3.630 8.747 1.00 4.76 C ATOM 0 H LEU A 117 -16.186 0.062 5.415 1.00 3.81 H new ATOM 0 HA LEU A 117 -17.568 2.148 7.011 1.00 3.59 H new ATOM 0 HB2 LEU A 117 -14.976 1.860 7.603 1.00 3.83 H new ATOM 0 HB3 LEU A 117 -14.742 2.683 6.073 1.00 3.83 H new ATOM 0 HG LEU A 117 -14.851 4.332 7.904 1.00 4.66 H new ATOM 0 HD11 LEU A 117 -16.690 5.744 7.028 1.00 5.12 H new ATOM 0 HD12 LEU A 117 -15.797 4.962 5.702 1.00 5.12 H new ATOM 0 HD13 LEU A 117 -17.383 4.329 6.201 1.00 5.12 H new ATOM 0 HD21 LEU A 117 -16.935 4.582 9.225 1.00 4.76 H new ATOM 0 HD22 LEU A 117 -17.628 3.165 8.400 1.00 4.76 H new ATOM 0 HD23 LEU A 117 -16.216 2.972 9.466 1.00 4.76 H new ATOM 1663 N THR A 118 -18.249 2.799 4.677 1.00 3.12 N ATOM 1664 CA THR A 118 -18.589 3.329 3.328 1.00 3.08 C ATOM 1665 C THR A 118 -17.620 4.454 2.964 1.00 3.13 C ATOM 1666 O THR A 118 -17.684 5.541 3.503 1.00 3.70 O ATOM 1667 CB THR A 118 -20.020 3.869 3.345 1.00 3.62 C ATOM 1668 OG1 THR A 118 -20.329 4.342 4.649 1.00 4.06 O ATOM 1669 CG2 THR A 118 -20.994 2.754 2.960 1.00 4.04 C ATOM 0 H THR A 118 -19.028 2.750 5.333 1.00 3.12 H new ATOM 0 HA THR A 118 -18.509 2.532 2.589 1.00 3.08 H new ATOM 0 HB THR A 118 -20.109 4.687 2.630 1.00 3.62 H new ATOM 0 HG1 THR A 118 -21.245 4.690 4.662 1.00 4.06 H new ATOM 0 HG21 THR A 118 -22.013 3.141 2.973 1.00 4.04 H new ATOM 0 HG22 THR A 118 -20.756 2.392 1.960 1.00 4.04 H new ATOM 0 HG23 THR A 118 -20.908 1.934 3.673 1.00 4.04 H new ATOM 1677 N PHE A 119 -16.719 4.202 2.054 1.00 2.76 N ATOM 1678 CA PHE A 119 -15.745 5.257 1.658 1.00 3.07 C ATOM 1679 C PHE A 119 -15.807 5.472 0.144 1.00 2.72 C ATOM 1680 O PHE A 119 -15.122 4.812 -0.612 1.00 2.65 O ATOM 1681 CB PHE A 119 -14.332 4.816 2.047 1.00 3.53 C ATOM 1682 CG PHE A 119 -14.017 5.292 3.445 1.00 4.12 C ATOM 1683 CD1 PHE A 119 -14.070 6.657 3.750 1.00 4.47 C ATOM 1684 CD2 PHE A 119 -13.670 4.367 4.436 1.00 4.69 C ATOM 1685 CE1 PHE A 119 -13.776 7.097 5.045 1.00 5.10 C ATOM 1686 CE2 PHE A 119 -13.375 4.807 5.732 1.00 5.33 C ATOM 1687 CZ PHE A 119 -13.428 6.172 6.036 1.00 5.44 C ATOM 0 H PHE A 119 -16.616 3.311 1.568 1.00 2.76 H new ATOM 0 HA PHE A 119 -15.994 6.188 2.168 1.00 3.07 H new ATOM 0 HB2 PHE A 119 -14.252 3.730 1.996 1.00 3.53 H new ATOM 0 HB3 PHE A 119 -13.607 5.222 1.342 1.00 3.53 H new ATOM 0 HD1 PHE A 119 -14.338 7.371 2.985 1.00 4.47 H new ATOM 0 HD2 PHE A 119 -13.630 3.314 4.201 1.00 4.69 H new ATOM 0 HE1 PHE A 119 -13.818 8.150 5.280 1.00 5.10 H new ATOM 0 HE2 PHE A 119 -13.107 4.093 6.497 1.00 5.33 H new ATOM 0 HZ PHE A 119 -13.200 6.512 7.036 1.00 5.44 H new ATOM 1697 N PRO A 120 -16.619 6.396 -0.292 1.00 2.96 N ATOM 1698 CA PRO A 120 -16.769 6.712 -1.740 1.00 2.86 C ATOM 1699 C PRO A 120 -15.426 7.080 -2.372 1.00 3.02 C ATOM 1700 O PRO A 120 -14.387 6.935 -1.760 1.00 3.70 O ATOM 1701 CB PRO A 120 -17.716 7.916 -1.773 1.00 3.40 C ATOM 1702 CG PRO A 120 -18.409 7.930 -0.449 1.00 4.04 C ATOM 1703 CD PRO A 120 -17.482 7.238 0.549 1.00 3.80 C ATOM 0 HA PRO A 120 -17.147 5.859 -2.303 1.00 2.86 H new ATOM 0 HB2 PRO A 120 -17.164 8.842 -1.935 1.00 3.40 H new ATOM 0 HB3 PRO A 120 -18.434 7.826 -2.588 1.00 3.40 H new ATOM 0 HG2 PRO A 120 -18.619 8.952 -0.135 1.00 4.04 H new ATOM 0 HG3 PRO A 120 -19.366 7.412 -0.509 1.00 4.04 H new ATOM 0 HD2 PRO A 120 -16.900 7.961 1.120 1.00 3.80 H new ATOM 0 HD3 PRO A 120 -18.043 6.641 1.268 1.00 3.80 H new ATOM 1711 N PRO A 121 -15.446 7.562 -3.584 1.00 2.87 N ATOM 1712 CA PRO A 121 -14.205 7.967 -4.299 1.00 3.45 C ATOM 1713 C PRO A 121 -13.473 9.084 -3.552 1.00 3.18 C ATOM 1714 O PRO A 121 -12.486 8.851 -2.883 1.00 3.79 O ATOM 1715 CB PRO A 121 -14.693 8.457 -5.668 1.00 3.90 C ATOM 1716 CG PRO A 121 -16.086 7.936 -5.817 1.00 3.47 C ATOM 1717 CD PRO A 121 -16.645 7.774 -4.405 1.00 2.74 C ATOM 0 HA PRO A 121 -13.493 7.145 -4.379 1.00 3.45 H new ATOM 0 HB2 PRO A 121 -14.675 9.546 -5.722 1.00 3.90 H new ATOM 0 HB3 PRO A 121 -14.050 8.087 -6.467 1.00 3.90 H new ATOM 0 HG2 PRO A 121 -16.697 8.626 -6.399 1.00 3.47 H new ATOM 0 HG3 PRO A 121 -16.089 6.983 -6.346 1.00 3.47 H new ATOM 0 HD2 PRO A 121 -17.197 8.659 -4.088 1.00 2.74 H new ATOM 0 HD3 PRO A 121 -17.331 6.929 -4.339 1.00 2.74 H new ATOM 1725 N ASP A 122 -13.951 10.294 -3.650 1.00 2.63 N ATOM 1726 CA ASP A 122 -13.283 11.415 -2.931 1.00 2.65 C ATOM 1727 C ASP A 122 -14.121 12.689 -3.060 1.00 2.94 C ATOM 1728 O ASP A 122 -15.276 12.653 -3.435 1.00 3.74 O ATOM 1729 CB ASP A 122 -11.902 11.656 -3.541 1.00 2.79 C ATOM 1730 CG ASP A 122 -11.041 12.450 -2.559 1.00 3.42 C ATOM 1731 OD1 ASP A 122 -11.320 12.390 -1.373 1.00 4.14 O ATOM 1732 OD2 ASP A 122 -10.115 13.106 -3.008 1.00 3.56 O ATOM 0 H ASP A 122 -14.773 10.554 -4.195 1.00 2.63 H new ATOM 0 HA ASP A 122 -13.182 11.156 -1.877 1.00 2.65 H new ATOM 0 HB2 ASP A 122 -11.424 10.704 -3.772 1.00 2.79 H new ATOM 0 HB3 ASP A 122 -11.998 12.201 -4.480 1.00 2.79 H new ATOM 1737 N GLY A 123 -13.531 13.817 -2.772 1.00 2.81 N ATOM 1738 CA GLY A 123 -14.268 15.107 -2.898 1.00 3.57 C ATOM 1739 C GLY A 123 -13.691 15.872 -4.089 1.00 3.16 C ATOM 1740 O GLY A 123 -14.397 16.540 -4.819 1.00 3.47 O ATOM 0 H GLY A 123 -12.566 13.901 -2.453 1.00 2.81 H new ATOM 0 HA2 GLY A 123 -15.333 14.924 -3.043 1.00 3.57 H new ATOM 0 HA3 GLY A 123 -14.167 15.693 -1.985 1.00 3.57 H new ATOM 1744 N ASP A 124 -12.407 15.758 -4.296 1.00 2.78 N ATOM 1745 CA ASP A 124 -11.757 16.450 -5.444 1.00 2.58 C ATOM 1746 C ASP A 124 -10.925 15.423 -6.215 1.00 2.15 C ATOM 1747 O ASP A 124 -10.923 15.390 -7.428 1.00 2.31 O ATOM 1748 CB ASP A 124 -10.847 17.565 -4.925 1.00 3.01 C ATOM 1749 CG ASP A 124 -10.603 18.586 -6.038 1.00 3.26 C ATOM 1750 OD1 ASP A 124 -10.985 18.308 -7.162 1.00 3.51 O ATOM 1751 OD2 ASP A 124 -10.040 19.628 -5.747 1.00 3.59 O ATOM 0 H ASP A 124 -11.775 15.209 -3.713 1.00 2.78 H new ATOM 0 HA ASP A 124 -12.513 16.888 -6.096 1.00 2.58 H new ATOM 0 HB2 ASP A 124 -11.306 18.052 -4.065 1.00 3.01 H new ATOM 0 HB3 ASP A 124 -9.899 17.147 -4.587 1.00 3.01 H new ATOM 1756 N ALA A 125 -10.232 14.574 -5.506 1.00 1.83 N ATOM 1757 CA ALA A 125 -9.408 13.525 -6.173 1.00 1.67 C ATOM 1758 C ALA A 125 -10.016 12.158 -5.852 1.00 1.39 C ATOM 1759 O ALA A 125 -9.719 11.567 -4.833 1.00 1.38 O ATOM 1760 CB ALA A 125 -7.976 13.584 -5.637 1.00 2.08 C ATOM 0 H ALA A 125 -10.201 14.562 -4.487 1.00 1.83 H new ATOM 0 HA ALA A 125 -9.393 13.687 -7.251 1.00 1.67 H new ATOM 0 HB1 ALA A 125 -7.373 12.817 -6.124 1.00 2.08 H new ATOM 0 HB2 ALA A 125 -7.550 14.566 -5.844 1.00 2.08 H new ATOM 0 HB3 ALA A 125 -7.983 13.411 -4.561 1.00 2.08 H new ATOM 1766 N PRO A 126 -10.880 11.671 -6.702 1.00 1.26 N ATOM 1767 CA PRO A 126 -11.566 10.366 -6.494 1.00 1.14 C ATOM 1768 C PRO A 126 -10.608 9.237 -6.120 1.00 1.05 C ATOM 1769 O PRO A 126 -9.681 9.411 -5.353 1.00 1.36 O ATOM 1770 CB PRO A 126 -12.209 10.058 -7.845 1.00 1.27 C ATOM 1771 CG PRO A 126 -12.351 11.367 -8.540 1.00 1.31 C ATOM 1772 CD PRO A 126 -11.295 12.312 -7.961 1.00 1.39 C ATOM 0 HA PRO A 126 -12.273 10.434 -5.668 1.00 1.14 H new ATOM 0 HB2 PRO A 126 -11.590 9.374 -8.425 1.00 1.27 H new ATOM 0 HB3 PRO A 126 -13.179 9.578 -7.715 1.00 1.27 H new ATOM 0 HG2 PRO A 126 -12.211 11.248 -9.614 1.00 1.31 H new ATOM 0 HG3 PRO A 126 -13.352 11.773 -8.392 1.00 1.31 H new ATOM 0 HD2 PRO A 126 -10.453 12.432 -8.642 1.00 1.39 H new ATOM 0 HD3 PRO A 126 -11.706 13.306 -7.784 1.00 1.39 H new ATOM 1780 N GLY A 127 -10.842 8.078 -6.664 1.00 1.02 N ATOM 1781 CA GLY A 127 -9.968 6.910 -6.359 1.00 1.03 C ATOM 1782 C GLY A 127 -8.533 7.382 -6.127 1.00 1.09 C ATOM 1783 O GLY A 127 -8.122 8.416 -6.611 1.00 1.19 O ATOM 0 H GLY A 127 -11.606 7.887 -7.312 1.00 1.02 H new ATOM 0 HA2 GLY A 127 -10.337 6.390 -5.475 1.00 1.03 H new ATOM 0 HA3 GLY A 127 -9.997 6.198 -7.183 1.00 1.03 H new ATOM 1787 N GLN A 128 -7.766 6.626 -5.388 1.00 1.12 N ATOM 1788 CA GLN A 128 -6.357 7.027 -5.125 1.00 1.26 C ATOM 1789 C GLN A 128 -5.545 5.797 -4.716 1.00 1.11 C ATOM 1790 O GLN A 128 -6.066 4.854 -4.154 1.00 1.11 O ATOM 1791 CB GLN A 128 -6.317 8.059 -3.997 1.00 1.53 C ATOM 1792 CG GLN A 128 -4.870 8.501 -3.763 1.00 1.64 C ATOM 1793 CD GLN A 128 -4.298 7.757 -2.555 1.00 1.87 C ATOM 1794 OE1 GLN A 128 -3.476 6.873 -2.705 1.00 2.01 O ATOM 1795 NE2 GLN A 128 -4.700 8.077 -1.356 1.00 1.99 N ATOM 0 H GLN A 128 -8.056 5.749 -4.956 1.00 1.12 H new ATOM 0 HA GLN A 128 -5.932 7.462 -6.029 1.00 1.26 H new ATOM 0 HB2 GLN A 128 -6.935 8.919 -4.254 1.00 1.53 H new ATOM 0 HB3 GLN A 128 -6.731 7.632 -3.083 1.00 1.53 H new ATOM 0 HG2 GLN A 128 -4.268 8.296 -4.648 1.00 1.64 H new ATOM 0 HG3 GLN A 128 -4.830 9.577 -3.593 1.00 1.64 H new ATOM 0 HE21 GLN A 128 -5.389 8.818 -1.230 1.00 1.99 H new ATOM 0 HE22 GLN A 128 -4.325 7.586 -0.544 1.00 1.99 H new ATOM 1804 N VAL A 129 -4.270 5.804 -4.991 1.00 1.03 N ATOM 1805 CA VAL A 129 -3.413 4.645 -4.620 1.00 0.91 C ATOM 1806 C VAL A 129 -1.980 5.143 -4.434 1.00 0.88 C ATOM 1807 O VAL A 129 -1.594 6.154 -4.986 1.00 1.00 O ATOM 1808 CB VAL A 129 -3.450 3.598 -5.735 1.00 0.94 C ATOM 1809 CG1 VAL A 129 -2.772 2.314 -5.253 1.00 1.28 C ATOM 1810 CG2 VAL A 129 -4.904 3.297 -6.104 1.00 0.89 C ATOM 0 H VAL A 129 -3.783 6.568 -5.460 1.00 1.03 H new ATOM 0 HA VAL A 129 -3.777 4.192 -3.698 1.00 0.91 H new ATOM 0 HB VAL A 129 -2.924 3.981 -6.609 1.00 0.94 H new ATOM 0 HG11 VAL A 129 -2.799 1.568 -6.047 1.00 1.28 H new ATOM 0 HG12 VAL A 129 -1.736 2.527 -4.989 1.00 1.28 H new ATOM 0 HG13 VAL A 129 -3.298 1.931 -4.378 1.00 1.28 H new ATOM 0 HG21 VAL A 129 -4.931 2.551 -6.898 1.00 0.89 H new ATOM 0 HG22 VAL A 129 -5.430 2.914 -5.229 1.00 0.89 H new ATOM 0 HG23 VAL A 129 -5.389 4.211 -6.448 1.00 0.89 H new ATOM 1820 N ALA A 130 -1.186 4.458 -3.660 1.00 0.78 N ATOM 1821 CA ALA A 130 0.211 4.930 -3.456 1.00 0.85 C ATOM 1822 C ALA A 130 1.075 3.809 -2.877 1.00 0.75 C ATOM 1823 O ALA A 130 0.919 3.412 -1.738 1.00 0.73 O ATOM 1824 CB ALA A 130 0.203 6.120 -2.496 1.00 0.98 C ATOM 0 H ALA A 130 -1.439 3.603 -3.166 1.00 0.78 H new ATOM 0 HA ALA A 130 0.629 5.230 -4.417 1.00 0.85 H new ATOM 0 HB1 ALA A 130 1.224 6.470 -2.342 1.00 0.98 H new ATOM 0 HB2 ALA A 130 -0.397 6.925 -2.920 1.00 0.98 H new ATOM 0 HB3 ALA A 130 -0.223 5.814 -1.541 1.00 0.98 H new ATOM 1830 N PHE A 131 1.999 3.311 -3.651 1.00 0.75 N ATOM 1831 CA PHE A 131 2.897 2.233 -3.150 1.00 0.70 C ATOM 1832 C PHE A 131 4.037 2.889 -2.370 1.00 0.77 C ATOM 1833 O PHE A 131 4.962 3.421 -2.948 1.00 0.99 O ATOM 1834 CB PHE A 131 3.476 1.456 -4.335 1.00 0.70 C ATOM 1835 CG PHE A 131 2.467 0.453 -4.847 1.00 0.84 C ATOM 1836 CD1 PHE A 131 1.100 0.624 -4.590 1.00 1.29 C ATOM 1837 CD2 PHE A 131 2.905 -0.650 -5.590 1.00 1.49 C ATOM 1838 CE1 PHE A 131 0.174 -0.310 -5.072 1.00 1.54 C ATOM 1839 CE2 PHE A 131 1.979 -1.583 -6.073 1.00 1.73 C ATOM 1840 CZ PHE A 131 0.614 -1.413 -5.814 1.00 1.48 C ATOM 0 H PHE A 131 2.171 3.605 -4.612 1.00 0.75 H new ATOM 0 HA PHE A 131 2.342 1.546 -2.511 1.00 0.70 H new ATOM 0 HB2 PHE A 131 3.750 2.146 -5.133 1.00 0.70 H new ATOM 0 HB3 PHE A 131 4.388 0.942 -4.031 1.00 0.70 H new ATOM 0 HD1 PHE A 131 0.760 1.476 -4.020 1.00 1.29 H new ATOM 0 HD2 PHE A 131 3.958 -0.781 -5.791 1.00 1.49 H new ATOM 0 HE1 PHE A 131 -0.879 -0.179 -4.871 1.00 1.54 H new ATOM 0 HE2 PHE A 131 2.318 -2.434 -6.645 1.00 1.73 H new ATOM 0 HZ PHE A 131 -0.100 -2.133 -6.187 1.00 1.48 H new ATOM 1850 N HIS A 132 3.973 2.879 -1.068 1.00 0.82 N ATOM 1851 CA HIS A 132 5.049 3.534 -0.272 1.00 0.96 C ATOM 1852 C HIS A 132 6.055 2.494 0.226 1.00 1.03 C ATOM 1853 O HIS A 132 5.696 1.500 0.827 1.00 1.41 O ATOM 1854 CB HIS A 132 4.424 4.249 0.927 1.00 1.41 C ATOM 1855 CG HIS A 132 4.066 5.659 0.545 1.00 1.36 C ATOM 1856 ND1 HIS A 132 2.904 6.271 0.986 1.00 1.70 N ATOM 1857 CD2 HIS A 132 4.706 6.592 -0.237 1.00 1.88 C ATOM 1858 CE1 HIS A 132 2.878 7.514 0.474 1.00 1.96 C ATOM 1859 NE2 HIS A 132 3.952 7.762 -0.280 1.00 2.32 N ATOM 0 H HIS A 132 3.227 2.448 -0.522 1.00 0.82 H new ATOM 0 HA HIS A 132 5.570 4.252 -0.905 1.00 0.96 H new ATOM 0 HB2 HIS A 132 3.534 3.714 1.258 1.00 1.41 H new ATOM 0 HB3 HIS A 132 5.122 4.255 1.764 1.00 1.41 H new ATOM 0 HD2 HIS A 132 5.649 6.440 -0.741 1.00 1.88 H new ATOM 0 HE1 HIS A 132 2.085 8.225 0.651 1.00 1.96 H new ATOM 0 HE2 HIS A 132 4.173 8.623 -0.780 1.00 2.32 H new ATOM 1867 N LEU A 133 7.316 2.729 -0.013 1.00 1.00 N ATOM 1868 CA LEU A 133 8.360 1.773 0.450 1.00 1.39 C ATOM 1869 C LEU A 133 9.200 2.445 1.539 1.00 1.62 C ATOM 1870 O LEU A 133 9.474 1.866 2.572 1.00 2.04 O ATOM 1871 CB LEU A 133 9.257 1.388 -0.729 1.00 1.58 C ATOM 1872 CG LEU A 133 8.446 1.446 -2.025 1.00 1.41 C ATOM 1873 CD1 LEU A 133 8.581 2.835 -2.651 1.00 1.52 C ATOM 1874 CD2 LEU A 133 8.973 0.395 -3.004 1.00 2.11 C ATOM 0 H LEU A 133 7.669 3.546 -0.511 1.00 1.00 H new ATOM 0 HA LEU A 133 7.890 0.875 0.850 1.00 1.39 H new ATOM 0 HB2 LEU A 133 10.108 2.066 -0.789 1.00 1.58 H new ATOM 0 HB3 LEU A 133 9.658 0.385 -0.583 1.00 1.58 H new ATOM 0 HG LEU A 133 7.397 1.246 -1.805 1.00 1.41 H new ATOM 0 HD11 LEU A 133 8.003 2.876 -3.574 1.00 1.52 H new ATOM 0 HD12 LEU A 133 8.207 3.586 -1.955 1.00 1.52 H new ATOM 0 HD13 LEU A 133 9.630 3.035 -2.870 1.00 1.52 H new ATOM 0 HD21 LEU A 133 8.395 0.436 -3.927 1.00 2.11 H new ATOM 0 HD22 LEU A 133 10.022 0.595 -3.223 1.00 2.11 H new ATOM 0 HD23 LEU A 133 8.878 -0.596 -2.560 1.00 2.11 H new ATOM 1886 N GLY A 134 9.601 3.668 1.320 1.00 1.46 N ATOM 1887 CA GLY A 134 10.411 4.385 2.345 1.00 1.77 C ATOM 1888 C GLY A 134 11.901 4.276 2.009 1.00 1.08 C ATOM 1889 O GLY A 134 12.338 3.344 1.367 1.00 0.83 O ATOM 0 H GLY A 134 9.402 4.202 0.474 1.00 1.46 H new ATOM 0 HA2 GLY A 134 10.115 5.433 2.385 1.00 1.77 H new ATOM 0 HA3 GLY A 134 10.221 3.962 3.331 1.00 1.77 H new ATOM 1893 N LYS A 135 12.683 5.226 2.450 1.00 1.23 N ATOM 1894 CA LYS A 135 14.145 5.186 2.170 1.00 1.09 C ATOM 1895 C LYS A 135 14.879 4.650 3.396 1.00 1.32 C ATOM 1896 O LYS A 135 14.406 3.764 4.079 1.00 1.76 O ATOM 1897 CB LYS A 135 14.640 6.597 1.849 1.00 1.93 C ATOM 1898 CG LYS A 135 13.577 7.335 1.033 1.00 2.37 C ATOM 1899 CD LYS A 135 14.212 8.540 0.334 1.00 3.36 C ATOM 1900 CE LYS A 135 14.860 8.092 -0.977 1.00 4.04 C ATOM 1901 NZ LYS A 135 16.246 8.633 -1.053 1.00 5.06 N ATOM 0 H LYS A 135 12.369 6.030 2.994 1.00 1.23 H new ATOM 0 HA LYS A 135 14.338 4.534 1.318 1.00 1.09 H new ATOM 0 HB2 LYS A 135 14.848 7.140 2.771 1.00 1.93 H new ATOM 0 HB3 LYS A 135 15.574 6.548 1.290 1.00 1.93 H new ATOM 0 HG2 LYS A 135 13.139 6.663 0.295 1.00 2.37 H new ATOM 0 HG3 LYS A 135 12.768 7.664 1.684 1.00 2.37 H new ATOM 0 HD2 LYS A 135 13.455 9.299 0.136 1.00 3.36 H new ATOM 0 HD3 LYS A 135 14.959 8.997 0.983 1.00 3.36 H new ATOM 0 HE2 LYS A 135 14.879 7.004 -1.033 1.00 4.04 H new ATOM 0 HE3 LYS A 135 14.273 8.445 -1.825 1.00 4.04 H new ATOM 0 HZ1 LYS A 135 16.317 9.295 -1.852 1.00 5.06 H new ATOM 0 HZ2 LYS A 135 16.473 9.131 -0.169 1.00 5.06 H new ATOM 0 HZ3 LYS A 135 16.917 7.851 -1.192 1.00 5.06 H new ATOM 1915 N ALA A 136 16.041 5.167 3.668 1.00 1.56 N ATOM 1916 CA ALA A 136 16.815 4.671 4.838 1.00 1.90 C ATOM 1917 C ALA A 136 17.244 3.234 4.546 1.00 2.22 C ATOM 1918 O ALA A 136 18.416 2.926 4.465 1.00 2.64 O ATOM 1919 CB ALA A 136 15.935 4.703 6.090 1.00 2.27 C ATOM 0 H ALA A 136 16.489 5.911 3.132 1.00 1.56 H new ATOM 0 HA ALA A 136 17.689 5.300 5.009 1.00 1.90 H new ATOM 0 HB1 ALA A 136 16.505 4.339 6.945 1.00 2.27 H new ATOM 0 HB2 ALA A 136 15.609 5.726 6.280 1.00 2.27 H new ATOM 0 HB3 ALA A 136 15.063 4.067 5.938 1.00 2.27 H new ATOM 1925 N GLY A 137 16.294 2.359 4.356 1.00 2.17 N ATOM 1926 CA GLY A 137 16.633 0.946 4.032 1.00 2.51 C ATOM 1927 C GLY A 137 16.753 0.825 2.513 1.00 1.81 C ATOM 1928 O GLY A 137 16.389 -0.171 1.922 1.00 2.11 O ATOM 0 H GLY A 137 15.296 2.563 4.412 1.00 2.17 H new ATOM 0 HA2 GLY A 137 17.568 0.659 4.512 1.00 2.51 H new ATOM 0 HA3 GLY A 137 15.862 0.273 4.408 1.00 2.51 H new ATOM 1932 N ALA A 138 17.251 1.856 1.885 1.00 1.23 N ATOM 1933 CA ALA A 138 17.396 1.855 0.403 1.00 1.37 C ATOM 1934 C ALA A 138 17.595 0.431 -0.118 1.00 1.13 C ATOM 1935 O ALA A 138 18.123 -0.428 0.558 1.00 1.41 O ATOM 1936 CB ALA A 138 18.607 2.706 0.020 1.00 2.32 C ATOM 0 H ALA A 138 17.568 2.710 2.344 1.00 1.23 H new ATOM 0 HA ALA A 138 16.489 2.266 -0.041 1.00 1.37 H new ATOM 0 HB1 ALA A 138 18.720 2.710 -1.064 1.00 2.32 H new ATOM 0 HB2 ALA A 138 18.461 3.727 0.374 1.00 2.32 H new ATOM 0 HB3 ALA A 138 19.504 2.288 0.477 1.00 2.32 H new ATOM 1942 N TYR A 139 17.169 0.185 -1.327 1.00 0.82 N ATOM 1943 CA TYR A 139 17.318 -1.172 -1.922 1.00 0.75 C ATOM 1944 C TYR A 139 16.871 -1.120 -3.385 1.00 0.76 C ATOM 1945 O TYR A 139 17.251 -0.235 -4.126 1.00 0.83 O ATOM 1946 CB TYR A 139 16.448 -2.166 -1.150 1.00 0.74 C ATOM 1947 CG TYR A 139 14.993 -1.814 -1.337 1.00 0.79 C ATOM 1948 CD1 TYR A 139 14.492 -0.612 -0.823 1.00 1.42 C ATOM 1949 CD2 TYR A 139 14.144 -2.689 -2.025 1.00 1.41 C ATOM 1950 CE1 TYR A 139 13.142 -0.285 -0.996 1.00 1.61 C ATOM 1951 CE2 TYR A 139 12.793 -2.362 -2.198 1.00 1.42 C ATOM 1952 CZ TYR A 139 12.293 -1.161 -1.683 1.00 1.11 C ATOM 1953 OH TYR A 139 10.962 -0.840 -1.853 1.00 1.32 O ATOM 0 H TYR A 139 16.720 0.873 -1.932 1.00 0.82 H new ATOM 0 HA TYR A 139 18.358 -1.492 -1.866 1.00 0.75 H new ATOM 0 HB2 TYR A 139 16.636 -3.180 -1.503 1.00 0.74 H new ATOM 0 HB3 TYR A 139 16.705 -2.144 -0.091 1.00 0.74 H new ATOM 0 HD1 TYR A 139 15.147 0.063 -0.293 1.00 1.42 H new ATOM 0 HD2 TYR A 139 14.531 -3.616 -2.422 1.00 1.41 H new ATOM 0 HE1 TYR A 139 12.756 0.642 -0.600 1.00 1.61 H new ATOM 0 HE2 TYR A 139 12.138 -3.037 -2.729 1.00 1.42 H new ATOM 0 HH TYR A 139 10.404 -1.528 -1.435 1.00 1.32 H new ATOM 1963 N GLU A 140 16.064 -2.054 -3.810 1.00 0.80 N ATOM 1964 CA GLU A 140 15.599 -2.039 -5.226 1.00 0.87 C ATOM 1965 C GLU A 140 14.173 -2.591 -5.308 1.00 0.77 C ATOM 1966 O GLU A 140 13.886 -3.669 -4.828 1.00 0.73 O ATOM 1967 CB GLU A 140 16.530 -2.901 -6.081 1.00 1.13 C ATOM 1968 CG GLU A 140 17.641 -2.028 -6.666 1.00 0.93 C ATOM 1969 CD GLU A 140 18.537 -2.878 -7.569 1.00 0.94 C ATOM 1970 OE1 GLU A 140 19.050 -3.877 -7.091 1.00 1.65 O ATOM 1971 OE2 GLU A 140 18.694 -2.516 -8.723 1.00 1.25 O ATOM 0 H GLU A 140 15.708 -2.823 -3.242 1.00 0.80 H new ATOM 0 HA GLU A 140 15.611 -1.014 -5.597 1.00 0.87 H new ATOM 0 HB2 GLU A 140 16.961 -3.699 -5.477 1.00 1.13 H new ATOM 0 HB3 GLU A 140 15.967 -3.377 -6.884 1.00 1.13 H new ATOM 0 HG2 GLU A 140 17.209 -1.205 -7.235 1.00 0.93 H new ATOM 0 HG3 GLU A 140 18.231 -1.586 -5.863 1.00 0.93 H new ATOM 1978 N PHE A 141 13.279 -1.859 -5.917 1.00 0.77 N ATOM 1979 CA PHE A 141 11.873 -2.341 -6.035 1.00 0.75 C ATOM 1980 C PHE A 141 11.526 -2.518 -7.515 1.00 0.72 C ATOM 1981 O PHE A 141 11.356 -1.558 -8.240 1.00 0.73 O ATOM 1982 CB PHE A 141 10.930 -1.312 -5.407 1.00 0.79 C ATOM 1983 CG PHE A 141 9.505 -1.802 -5.509 1.00 0.81 C ATOM 1984 CD1 PHE A 141 9.104 -2.943 -4.805 1.00 1.64 C ATOM 1985 CD2 PHE A 141 8.584 -1.113 -6.307 1.00 1.17 C ATOM 1986 CE1 PHE A 141 7.783 -3.396 -4.898 1.00 1.68 C ATOM 1987 CE2 PHE A 141 7.263 -1.565 -6.401 1.00 1.26 C ATOM 1988 CZ PHE A 141 6.862 -2.706 -5.697 1.00 1.00 C ATOM 0 H PHE A 141 13.462 -0.948 -6.338 1.00 0.77 H new ATOM 0 HA PHE A 141 11.765 -3.294 -5.518 1.00 0.75 H new ATOM 0 HB2 PHE A 141 11.196 -1.150 -4.362 1.00 0.79 H new ATOM 0 HB3 PHE A 141 11.033 -0.353 -5.914 1.00 0.79 H new ATOM 0 HD1 PHE A 141 9.815 -3.475 -4.189 1.00 1.64 H new ATOM 0 HD2 PHE A 141 8.893 -0.232 -6.850 1.00 1.17 H new ATOM 0 HE1 PHE A 141 7.474 -4.277 -4.354 1.00 1.68 H new ATOM 0 HE2 PHE A 141 6.553 -1.033 -7.017 1.00 1.26 H new ATOM 0 HZ PHE A 141 5.842 -3.055 -5.770 1.00 1.00 H new ATOM 1998 N CYS A 142 11.439 -3.737 -7.978 1.00 0.70 N ATOM 1999 CA CYS A 142 11.128 -3.965 -9.412 1.00 0.68 C ATOM 2000 C CYS A 142 9.719 -4.543 -9.571 1.00 0.68 C ATOM 2001 O CYS A 142 9.407 -5.602 -9.064 1.00 0.74 O ATOM 2002 CB CYS A 142 12.152 -4.946 -9.976 1.00 0.68 C ATOM 2003 SG CYS A 142 13.806 -4.213 -9.883 1.00 0.72 S ATOM 0 H CYS A 142 11.570 -4.582 -7.422 1.00 0.70 H new ATOM 0 HA CYS A 142 11.171 -3.018 -9.950 1.00 0.68 H new ATOM 0 HB2 CYS A 142 12.124 -5.880 -9.414 1.00 0.68 H new ATOM 0 HB3 CYS A 142 11.908 -5.189 -11.010 1.00 0.68 H new ATOM 2008 N ILE A 143 8.871 -3.853 -10.287 1.00 0.83 N ATOM 2009 CA ILE A 143 7.481 -4.347 -10.505 1.00 0.89 C ATOM 2010 C ILE A 143 7.244 -4.523 -12.002 1.00 0.92 C ATOM 2011 O ILE A 143 7.765 -3.792 -12.821 1.00 0.91 O ATOM 2012 CB ILE A 143 6.485 -3.338 -9.925 1.00 0.95 C ATOM 2013 CG1 ILE A 143 5.284 -3.174 -10.863 1.00 1.11 C ATOM 2014 CG2 ILE A 143 7.174 -1.986 -9.743 1.00 0.92 C ATOM 2015 CD1 ILE A 143 4.232 -2.286 -10.194 1.00 1.22 C ATOM 0 H ILE A 143 9.084 -2.961 -10.733 1.00 0.83 H new ATOM 0 HA ILE A 143 7.342 -5.306 -10.005 1.00 0.89 H new ATOM 0 HB ILE A 143 6.134 -3.706 -8.961 1.00 0.95 H new ATOM 0 HG12 ILE A 143 5.603 -2.730 -11.806 1.00 1.11 H new ATOM 0 HG13 ILE A 143 4.857 -4.149 -11.098 1.00 1.11 H new ATOM 0 HG21 ILE A 143 6.465 -1.269 -9.330 1.00 0.92 H new ATOM 0 HG22 ILE A 143 8.017 -2.096 -9.061 1.00 0.92 H new ATOM 0 HG23 ILE A 143 7.533 -1.628 -10.708 1.00 0.92 H new ATOM 0 HD11 ILE A 143 3.378 -2.169 -10.861 1.00 1.22 H new ATOM 0 HD12 ILE A 143 3.905 -2.748 -9.263 1.00 1.22 H new ATOM 0 HD13 ILE A 143 4.663 -1.308 -9.982 1.00 1.22 H new ATOM 2027 N SER A 144 6.455 -5.494 -12.358 1.00 1.00 N ATOM 2028 CA SER A 144 6.168 -5.734 -13.797 1.00 1.07 C ATOM 2029 C SER A 144 4.655 -5.764 -14.003 1.00 1.14 C ATOM 2030 O SER A 144 4.169 -5.765 -15.116 1.00 1.33 O ATOM 2031 CB SER A 144 6.771 -7.073 -14.225 1.00 1.17 C ATOM 2032 OG SER A 144 6.099 -8.126 -13.548 1.00 1.28 O ATOM 0 H SER A 144 5.994 -6.135 -11.712 1.00 1.00 H new ATOM 0 HA SER A 144 6.606 -4.937 -14.398 1.00 1.07 H new ATOM 0 HB2 SER A 144 6.677 -7.200 -15.304 1.00 1.17 H new ATOM 0 HB3 SER A 144 7.836 -7.097 -13.993 1.00 1.17 H new ATOM 0 HG SER A 144 6.481 -8.986 -13.821 1.00 1.28 H new ATOM 2038 N GLN A 145 3.907 -5.788 -12.934 1.00 1.08 N ATOM 2039 CA GLN A 145 2.422 -5.816 -13.074 1.00 1.29 C ATOM 2040 C GLN A 145 1.769 -5.393 -11.757 1.00 1.38 C ATOM 2041 O GLN A 145 2.411 -5.317 -10.728 1.00 1.99 O ATOM 2042 CB GLN A 145 1.953 -7.228 -13.445 1.00 1.40 C ATOM 2043 CG GLN A 145 3.157 -8.132 -13.719 1.00 1.94 C ATOM 2044 CD GLN A 145 2.694 -9.588 -13.792 1.00 2.35 C ATOM 2045 OE1 GLN A 145 3.460 -10.496 -13.534 1.00 2.30 O ATOM 2046 NE2 GLN A 145 1.462 -9.851 -14.135 1.00 3.30 N ATOM 0 H GLN A 145 4.256 -5.789 -11.976 1.00 1.08 H new ATOM 0 HA GLN A 145 2.131 -5.123 -13.864 1.00 1.29 H new ATOM 0 HB2 GLN A 145 1.354 -7.644 -12.635 1.00 1.40 H new ATOM 0 HB3 GLN A 145 1.313 -7.186 -14.326 1.00 1.40 H new ATOM 0 HG2 GLN A 145 3.636 -7.844 -14.655 1.00 1.94 H new ATOM 0 HG3 GLN A 145 3.901 -8.015 -12.931 1.00 1.94 H new ATOM 0 HE21 GLN A 145 0.819 -9.089 -14.351 1.00 3.30 H new ATOM 0 HE22 GLN A 145 1.142 -10.818 -14.186 1.00 3.30 H new ATOM 2055 N VAL A 146 0.492 -5.118 -11.782 1.00 1.54 N ATOM 2056 CA VAL A 146 -0.209 -4.701 -10.536 1.00 1.53 C ATOM 2057 C VAL A 146 -1.667 -5.162 -10.595 1.00 1.48 C ATOM 2058 O VAL A 146 -2.391 -4.841 -11.517 1.00 1.44 O ATOM 2059 CB VAL A 146 -0.161 -3.177 -10.409 1.00 1.59 C ATOM 2060 CG1 VAL A 146 -1.077 -2.548 -11.460 1.00 2.26 C ATOM 2061 CG2 VAL A 146 -0.633 -2.768 -9.013 1.00 2.16 C ATOM 0 H VAL A 146 -0.096 -5.165 -12.614 1.00 1.54 H new ATOM 0 HA VAL A 146 0.282 -5.152 -9.674 1.00 1.53 H new ATOM 0 HB VAL A 146 0.861 -2.832 -10.564 1.00 1.59 H new ATOM 0 HG11 VAL A 146 -1.043 -1.462 -11.370 1.00 2.26 H new ATOM 0 HG12 VAL A 146 -0.743 -2.840 -12.456 1.00 2.26 H new ATOM 0 HG13 VAL A 146 -2.099 -2.893 -11.305 1.00 2.26 H new ATOM 0 HG21 VAL A 146 -0.599 -1.682 -8.921 1.00 2.16 H new ATOM 0 HG22 VAL A 146 -1.655 -3.114 -8.859 1.00 2.16 H new ATOM 0 HG23 VAL A 146 0.019 -3.216 -8.263 1.00 2.16 H new ATOM 2071 N SER A 147 -2.105 -5.914 -9.622 1.00 1.63 N ATOM 2072 CA SER A 147 -3.513 -6.394 -9.630 1.00 1.76 C ATOM 2073 C SER A 147 -4.328 -5.611 -8.598 1.00 2.04 C ATOM 2074 O SER A 147 -3.783 -4.936 -7.747 1.00 2.17 O ATOM 2075 CB SER A 147 -3.549 -7.883 -9.284 1.00 2.02 C ATOM 2076 OG SER A 147 -4.435 -8.091 -8.193 1.00 2.76 O ATOM 0 H SER A 147 -1.548 -6.216 -8.823 1.00 1.63 H new ATOM 0 HA SER A 147 -3.940 -6.241 -10.621 1.00 1.76 H new ATOM 0 HB2 SER A 147 -3.876 -8.461 -10.148 1.00 2.02 H new ATOM 0 HB3 SER A 147 -2.549 -8.233 -9.027 1.00 2.02 H new ATOM 0 HG SER A 147 -3.977 -8.600 -7.492 1.00 2.76 H new ATOM 2082 N LEU A 148 -5.628 -5.696 -8.666 1.00 2.31 N ATOM 2083 CA LEU A 148 -6.475 -4.956 -7.688 1.00 2.65 C ATOM 2084 C LEU A 148 -7.942 -5.344 -7.889 1.00 2.54 C ATOM 2085 O LEU A 148 -8.501 -5.166 -8.952 1.00 3.02 O ATOM 2086 CB LEU A 148 -6.312 -3.451 -7.907 1.00 3.24 C ATOM 2087 CG LEU A 148 -7.452 -2.706 -7.211 1.00 3.51 C ATOM 2088 CD1 LEU A 148 -7.541 -3.156 -5.752 1.00 4.57 C ATOM 2089 CD2 LEU A 148 -7.182 -1.201 -7.265 1.00 3.26 C ATOM 0 H LEU A 148 -6.140 -6.245 -9.356 1.00 2.31 H new ATOM 0 HA LEU A 148 -6.166 -5.211 -6.674 1.00 2.65 H new ATOM 0 HB2 LEU A 148 -5.352 -3.118 -7.513 1.00 3.24 H new ATOM 0 HB3 LEU A 148 -6.314 -3.226 -8.974 1.00 3.24 H new ATOM 0 HG LEU A 148 -8.393 -2.926 -7.716 1.00 3.51 H new ATOM 0 HD11 LEU A 148 -8.354 -2.625 -5.256 1.00 4.57 H new ATOM 0 HD12 LEU A 148 -7.732 -4.229 -5.713 1.00 4.57 H new ATOM 0 HD13 LEU A 148 -6.601 -2.936 -5.245 1.00 4.57 H new ATOM 0 HD21 LEU A 148 -7.993 -0.668 -6.769 1.00 3.26 H new ATOM 0 HD22 LEU A 148 -6.242 -0.982 -6.759 1.00 3.26 H new ATOM 0 HD23 LEU A 148 -7.118 -0.880 -8.305 1.00 3.26 H new ATOM 2101 N THR A 149 -8.569 -5.876 -6.875 1.00 2.09 N ATOM 2102 CA THR A 149 -9.998 -6.275 -7.010 1.00 2.24 C ATOM 2103 C THR A 149 -10.482 -6.890 -5.696 1.00 1.93 C ATOM 2104 O THR A 149 -9.937 -6.632 -4.640 1.00 1.84 O ATOM 2105 CB THR A 149 -10.137 -7.301 -8.136 1.00 2.53 C ATOM 2106 OG1 THR A 149 -11.382 -7.973 -8.009 1.00 3.07 O ATOM 2107 CG2 THR A 149 -8.995 -8.315 -8.049 1.00 2.42 C ATOM 0 H THR A 149 -8.153 -6.051 -5.960 1.00 2.09 H new ATOM 0 HA THR A 149 -10.600 -5.397 -7.243 1.00 2.24 H new ATOM 0 HB THR A 149 -10.094 -6.793 -9.099 1.00 2.53 H new ATOM 0 HG1 THR A 149 -12.085 -7.445 -8.442 1.00 3.07 H new ATOM 0 HG21 THR A 149 -9.095 -9.046 -8.852 1.00 2.42 H new ATOM 0 HG22 THR A 149 -8.041 -7.797 -8.146 1.00 2.42 H new ATOM 0 HG23 THR A 149 -9.034 -8.826 -7.087 1.00 2.42 H new ATOM 2115 N THR A 150 -11.502 -7.702 -5.750 1.00 1.92 N ATOM 2116 CA THR A 150 -12.019 -8.334 -4.504 1.00 1.72 C ATOM 2117 C THR A 150 -12.192 -9.838 -4.727 1.00 1.75 C ATOM 2118 O THR A 150 -11.264 -10.531 -5.092 1.00 2.00 O ATOM 2119 CB THR A 150 -13.371 -7.713 -4.141 1.00 1.59 C ATOM 2120 OG1 THR A 150 -13.864 -8.318 -2.954 1.00 1.52 O ATOM 2121 CG2 THR A 150 -14.363 -7.941 -5.282 1.00 1.66 C ATOM 0 H THR A 150 -12.000 -7.955 -6.604 1.00 1.92 H new ATOM 0 HA THR A 150 -11.312 -8.167 -3.692 1.00 1.72 H new ATOM 0 HB THR A 150 -13.248 -6.642 -3.980 1.00 1.59 H new ATOM 0 HG1 THR A 150 -13.460 -7.884 -2.174 1.00 1.52 H new ATOM 0 HG21 THR A 150 -15.325 -7.498 -5.022 1.00 1.66 H new ATOM 0 HG22 THR A 150 -13.984 -7.476 -6.192 1.00 1.66 H new ATOM 0 HG23 THR A 150 -14.489 -9.011 -5.446 1.00 1.66 H new