USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 969 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 THR OG1 : rot 18:sc= -6.46! USER MOD Set 1.2: A 144 SER OG : rot 180:sc= -1.29 USER MOD Set 2.1: A 114 THR OG1 : rot 70:sc= 1.34 USER MOD Set 2.2: A 116 ASN : amide:sc= -0.296! C(o=1!,f=-3.8!) USER MOD Set 3.1: A 27 THR OG1 : rot 75:sc= -0.0509! USER MOD Set 3.2: A 28 SER OG : rot 120:sc= -4.99! USER MOD Set 4.1: A 13 THR OG1 : rot -69:sc= -0.309 USER MOD Set 4.2: A 147 SER OG : rot 177:sc= -0.0137 USER MOD Single : A 12 HIS : no HE2:sc= -5.68! C(o=-5.7!,f=-6.5!) USER MOD Single : A 14 SER OG : rot -73:sc= 0.354 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 27:sc= 0.0256 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.107 K(o=-0.11,f=-5.2!) USER MOD Single : A 47 ASN : amide:sc= -8.34! C(o=-8.3!,f=-7.2!) USER MOD Single : A 55 TYR OH : rot -15:sc= -6.52! USER MOD Single : A 56 ASN : amide:sc= -6.11! C(o=-6.1!,f=-6.1!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 53:sc= 0.0244 USER MOD Single : A 73 SER OG : rot -150:sc= -0.595 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 166:sc= -0.0164 (180deg=-0.268) USER MOD Single : A 93 THR OG1 : rot -147:sc= -1.04! USER MOD Single : A 97 GLN : amide:sc= -6.27! C(o=-6.3!,f=-8!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -132:sc= -0.173! USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0665 USER MOD Single : A 111 TYR OH : rot -15:sc= -5.33! USER MOD Single : A 115 SER OG : rot 111:sc= -1.42 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0342 USER MOD Single : A 128 GLN : amide:sc= -5.47! C(o=-5.5!,f=-6.5!) USER MOD Single : A 132 HIS : no HD1:sc= -6.17! C(o=-6.2!,f=-8.9!) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 TYR OH : rot 90:sc= -1.22 USER MOD Single : A 145 GLN : amide:sc= -2.49! C(o=-2.5!,f=-2.7!) USER MOD Single : A 149 THR OG1 : rot 100:sc= -0.439! USER MOD Single : A 150 THR OG1 : rot -104:sc= 0.612 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 7 -12.935 -9.026 -10.819 1.00 2.11 N ATOM 82 CA VAL A 7 -13.516 -7.746 -11.312 1.00 2.12 C ATOM 83 C VAL A 7 -12.397 -6.722 -11.513 1.00 2.11 C ATOM 84 O VAL A 7 -12.572 -5.542 -11.280 1.00 2.83 O ATOM 85 CB VAL A 7 -14.518 -7.213 -10.287 1.00 2.16 C ATOM 86 CG1 VAL A 7 -13.770 -6.478 -9.174 1.00 2.17 C ATOM 87 CG2 VAL A 7 -15.485 -6.248 -10.975 1.00 2.42 C ATOM 0 HA VAL A 7 -14.024 -7.919 -12.261 1.00 2.12 H new ATOM 0 HB VAL A 7 -15.077 -8.045 -9.859 1.00 2.16 H new ATOM 0 HG11 VAL A 7 -14.485 -6.099 -8.444 1.00 2.17 H new ATOM 0 HG12 VAL A 7 -13.081 -7.165 -8.683 1.00 2.17 H new ATOM 0 HG13 VAL A 7 -13.210 -5.645 -9.600 1.00 2.17 H new ATOM 0 HG21 VAL A 7 -16.200 -5.867 -10.245 1.00 2.42 H new ATOM 0 HG22 VAL A 7 -14.926 -5.416 -11.403 1.00 2.42 H new ATOM 0 HG23 VAL A 7 -16.020 -6.772 -11.767 1.00 2.42 H new ATOM 97 N GLU A 8 -11.247 -7.165 -11.944 1.00 1.96 N ATOM 98 CA GLU A 8 -10.117 -6.217 -12.160 1.00 2.32 C ATOM 99 C GLU A 8 -10.653 -4.897 -12.715 1.00 2.30 C ATOM 100 O GLU A 8 -10.733 -4.702 -13.911 1.00 2.59 O ATOM 101 CB GLU A 8 -9.128 -6.825 -13.156 1.00 3.06 C ATOM 102 CG GLU A 8 -7.714 -6.331 -12.841 1.00 3.55 C ATOM 103 CD GLU A 8 -6.696 -7.170 -13.616 1.00 4.20 C ATOM 104 OE1 GLU A 8 -6.828 -7.258 -14.826 1.00 4.42 O ATOM 105 OE2 GLU A 8 -5.800 -7.709 -12.987 1.00 4.75 O ATOM 0 H GLU A 8 -11.041 -8.141 -12.156 1.00 1.96 H new ATOM 0 HA GLU A 8 -9.613 -6.031 -11.212 1.00 2.32 H new ATOM 0 HB2 GLU A 8 -9.165 -7.913 -13.102 1.00 3.06 H new ATOM 0 HB3 GLU A 8 -9.403 -6.547 -14.173 1.00 3.06 H new ATOM 0 HG2 GLU A 8 -7.616 -5.280 -13.111 1.00 3.55 H new ATOM 0 HG3 GLU A 8 -7.522 -6.404 -11.771 1.00 3.55 H new ATOM 112 N LEU A 9 -11.018 -3.985 -11.856 1.00 2.76 N ATOM 113 CA LEU A 9 -11.546 -2.677 -12.335 1.00 3.48 C ATOM 114 C LEU A 9 -10.463 -1.961 -13.144 1.00 3.43 C ATOM 115 O LEU A 9 -10.745 -1.272 -14.105 1.00 4.12 O ATOM 116 CB LEU A 9 -11.938 -1.817 -11.132 1.00 3.72 C ATOM 117 CG LEU A 9 -13.402 -2.078 -10.773 1.00 4.22 C ATOM 118 CD1 LEU A 9 -13.634 -1.743 -9.299 1.00 4.95 C ATOM 119 CD2 LEU A 9 -14.303 -1.198 -11.643 1.00 3.49 C ATOM 0 H LEU A 9 -10.973 -4.090 -10.842 1.00 2.76 H new ATOM 0 HA LEU A 9 -12.421 -2.842 -12.964 1.00 3.48 H new ATOM 0 HB2 LEU A 9 -11.297 -2.049 -10.281 1.00 3.72 H new ATOM 0 HB3 LEU A 9 -11.792 -0.762 -11.363 1.00 3.72 H new ATOM 0 HG LEU A 9 -13.638 -3.128 -10.948 1.00 4.22 H new ATOM 0 HD11 LEU A 9 -14.677 -1.929 -9.043 1.00 4.95 H new ATOM 0 HD12 LEU A 9 -12.991 -2.368 -8.678 1.00 4.95 H new ATOM 0 HD13 LEU A 9 -13.399 -0.693 -9.123 1.00 4.95 H new ATOM 0 HD21 LEU A 9 -15.347 -1.382 -11.389 1.00 3.49 H new ATOM 0 HD22 LEU A 9 -14.067 -0.149 -11.467 1.00 3.49 H new ATOM 0 HD23 LEU A 9 -14.138 -1.435 -12.694 1.00 3.49 H new ATOM 131 N LEU A 10 -9.224 -2.122 -12.764 1.00 2.81 N ATOM 132 CA LEU A 10 -8.120 -1.456 -13.511 1.00 2.72 C ATOM 133 C LEU A 10 -7.357 -2.521 -14.307 1.00 2.86 C ATOM 134 O LEU A 10 -6.547 -3.247 -13.765 1.00 2.83 O ATOM 135 CB LEU A 10 -7.181 -0.776 -12.505 1.00 2.41 C ATOM 136 CG LEU A 10 -6.234 0.217 -13.193 1.00 2.12 C ATOM 137 CD1 LEU A 10 -5.134 -0.541 -13.935 1.00 1.99 C ATOM 138 CD2 LEU A 10 -6.996 1.105 -14.181 1.00 2.07 C ATOM 0 H LEU A 10 -8.929 -2.687 -11.967 1.00 2.81 H new ATOM 0 HA LEU A 10 -8.516 -0.706 -14.196 1.00 2.72 H new ATOM 0 HB2 LEU A 10 -7.771 -0.254 -11.752 1.00 2.41 H new ATOM 0 HB3 LEU A 10 -6.597 -1.534 -11.983 1.00 2.41 H new ATOM 0 HG LEU A 10 -5.790 0.851 -12.425 1.00 2.12 H new ATOM 0 HD11 LEU A 10 -4.466 0.170 -14.421 1.00 1.99 H new ATOM 0 HD12 LEU A 10 -4.567 -1.146 -13.227 1.00 1.99 H new ATOM 0 HD13 LEU A 10 -5.583 -1.189 -14.688 1.00 1.99 H new ATOM 0 HD21 LEU A 10 -6.303 1.800 -14.655 1.00 2.07 H new ATOM 0 HD22 LEU A 10 -7.464 0.482 -14.943 1.00 2.07 H new ATOM 0 HD23 LEU A 10 -7.764 1.666 -13.649 1.00 2.07 H new ATOM 150 N PRO A 11 -7.628 -2.628 -15.581 1.00 3.10 N ATOM 151 CA PRO A 11 -6.969 -3.631 -16.462 1.00 3.32 C ATOM 152 C PRO A 11 -5.585 -3.187 -16.943 1.00 2.96 C ATOM 153 O PRO A 11 -5.150 -3.554 -18.017 1.00 3.09 O ATOM 154 CB PRO A 11 -7.931 -3.746 -17.643 1.00 3.83 C ATOM 155 CG PRO A 11 -8.604 -2.416 -17.736 1.00 3.73 C ATOM 156 CD PRO A 11 -8.597 -1.809 -16.328 1.00 3.29 C ATOM 0 HA PRO A 11 -6.791 -4.570 -15.938 1.00 3.32 H new ATOM 0 HB2 PRO A 11 -7.397 -3.981 -18.564 1.00 3.83 H new ATOM 0 HB3 PRO A 11 -8.657 -4.543 -17.483 1.00 3.83 H new ATOM 0 HG2 PRO A 11 -8.080 -1.767 -18.438 1.00 3.73 H new ATOM 0 HG3 PRO A 11 -9.624 -2.525 -18.104 1.00 3.73 H new ATOM 0 HD2 PRO A 11 -8.299 -0.761 -16.349 1.00 3.29 H new ATOM 0 HD3 PRO A 11 -9.586 -1.850 -15.873 1.00 3.29 H new ATOM 164 N HIS A 12 -4.880 -2.410 -16.165 1.00 2.52 N ATOM 165 CA HIS A 12 -3.524 -1.972 -16.607 1.00 2.16 C ATOM 166 C HIS A 12 -2.471 -2.550 -15.661 1.00 1.83 C ATOM 167 O HIS A 12 -2.008 -1.891 -14.752 1.00 1.69 O ATOM 168 CB HIS A 12 -3.433 -0.444 -16.604 1.00 2.13 C ATOM 169 CG HIS A 12 -2.328 -0.009 -17.525 1.00 1.93 C ATOM 170 ND1 HIS A 12 -2.408 -0.155 -18.901 1.00 1.98 N ATOM 171 CD2 HIS A 12 -1.107 0.570 -17.280 1.00 1.81 C ATOM 172 CE1 HIS A 12 -1.268 0.326 -19.427 1.00 1.94 C ATOM 173 NE2 HIS A 12 -0.440 0.781 -18.483 1.00 1.82 N ATOM 0 H HIS A 12 -5.179 -2.063 -15.254 1.00 2.52 H new ATOM 0 HA HIS A 12 -3.346 -2.333 -17.620 1.00 2.16 H new ATOM 0 HB2 HIS A 12 -4.381 -0.011 -16.925 1.00 2.13 H new ATOM 0 HB3 HIS A 12 -3.243 -0.082 -15.594 1.00 2.13 H new ATOM 0 HD1 HIS A 12 -3.190 -0.555 -19.420 1.00 1.98 H new ATOM 0 HD2 HIS A 12 -0.723 0.823 -16.303 1.00 1.81 H new ATOM 0 HE1 HIS A 12 -1.049 0.342 -20.484 1.00 1.94 H new ATOM 181 N THR A 13 -2.090 -3.780 -15.870 1.00 1.82 N ATOM 182 CA THR A 13 -1.067 -4.408 -14.987 1.00 1.56 C ATOM 183 C THR A 13 0.128 -4.851 -15.832 1.00 1.39 C ATOM 184 O THR A 13 0.629 -5.948 -15.690 1.00 1.58 O ATOM 185 CB THR A 13 -1.678 -5.624 -14.287 1.00 1.72 C ATOM 186 OG1 THR A 13 -0.639 -6.488 -13.851 1.00 1.59 O ATOM 187 CG2 THR A 13 -2.591 -6.371 -15.260 1.00 1.97 C ATOM 0 H THR A 13 -2.444 -4.379 -16.616 1.00 1.82 H new ATOM 0 HA THR A 13 -0.736 -3.687 -14.239 1.00 1.56 H new ATOM 0 HB THR A 13 -2.261 -5.294 -13.428 1.00 1.72 H new ATOM 0 HG1 THR A 13 -0.211 -6.903 -14.629 1.00 1.59 H new ATOM 0 HG21 THR A 13 -3.025 -7.237 -14.760 1.00 1.97 H new ATOM 0 HG22 THR A 13 -3.388 -5.707 -15.594 1.00 1.97 H new ATOM 0 HG23 THR A 13 -2.011 -6.703 -16.121 1.00 1.97 H new ATOM 195 N SER A 14 0.589 -4.005 -16.713 1.00 1.20 N ATOM 196 CA SER A 14 1.752 -4.378 -17.566 1.00 1.07 C ATOM 197 C SER A 14 2.847 -3.318 -17.427 1.00 1.04 C ATOM 198 O SER A 14 3.090 -2.540 -18.329 1.00 1.10 O ATOM 199 CB SER A 14 1.306 -4.462 -19.027 1.00 1.14 C ATOM 200 OG SER A 14 2.445 -4.655 -19.854 1.00 1.96 O ATOM 0 H SER A 14 0.210 -3.072 -16.878 1.00 1.20 H new ATOM 0 HA SER A 14 2.141 -5.346 -17.248 1.00 1.07 H new ATOM 0 HB2 SER A 14 0.603 -5.285 -19.158 1.00 1.14 H new ATOM 0 HB3 SER A 14 0.785 -3.549 -19.313 1.00 1.14 H new ATOM 0 HG SER A 14 2.956 -3.821 -19.907 1.00 1.96 H new ATOM 206 N PHE A 15 3.512 -3.281 -16.305 1.00 1.01 N ATOM 207 CA PHE A 15 4.589 -2.272 -16.109 1.00 1.00 C ATOM 208 C PHE A 15 5.886 -2.786 -16.737 1.00 1.00 C ATOM 209 O PHE A 15 6.971 -2.392 -16.358 1.00 0.98 O ATOM 210 CB PHE A 15 4.807 -2.042 -14.612 1.00 0.98 C ATOM 211 CG PHE A 15 3.794 -1.048 -14.093 1.00 0.88 C ATOM 212 CD1 PHE A 15 2.558 -0.901 -14.737 1.00 1.11 C ATOM 213 CD2 PHE A 15 4.091 -0.274 -12.966 1.00 1.74 C ATOM 214 CE1 PHE A 15 1.623 0.020 -14.252 1.00 1.14 C ATOM 215 CE2 PHE A 15 3.155 0.646 -12.480 1.00 1.76 C ATOM 216 CZ PHE A 15 1.920 0.793 -13.123 1.00 0.95 C ATOM 0 H PHE A 15 3.355 -3.907 -15.515 1.00 1.01 H new ATOM 0 HA PHE A 15 4.299 -1.334 -16.583 1.00 1.00 H new ATOM 0 HB2 PHE A 15 4.714 -2.985 -14.073 1.00 0.98 H new ATOM 0 HB3 PHE A 15 5.817 -1.672 -14.435 1.00 0.98 H new ATOM 0 HD1 PHE A 15 2.327 -1.498 -15.607 1.00 1.11 H new ATOM 0 HD2 PHE A 15 5.044 -0.387 -12.470 1.00 1.74 H new ATOM 0 HE1 PHE A 15 0.671 0.135 -14.749 1.00 1.14 H new ATOM 0 HE2 PHE A 15 3.385 1.242 -11.609 1.00 1.76 H new ATOM 0 HZ PHE A 15 1.197 1.502 -12.748 1.00 0.95 H new ATOM 226 N ALA A 16 5.783 -3.670 -17.692 1.00 1.06 N ATOM 227 CA ALA A 16 7.010 -4.213 -18.340 1.00 1.09 C ATOM 228 C ALA A 16 7.388 -3.342 -19.540 1.00 1.10 C ATOM 229 O ALA A 16 8.550 -3.146 -19.835 1.00 1.18 O ATOM 230 CB ALA A 16 6.744 -5.644 -18.814 1.00 1.14 C ATOM 0 H ALA A 16 4.903 -4.039 -18.051 1.00 1.06 H new ATOM 0 HA ALA A 16 7.829 -4.212 -17.621 1.00 1.09 H new ATOM 0 HB1 ALA A 16 7.641 -6.043 -19.288 1.00 1.14 H new ATOM 0 HB2 ALA A 16 6.478 -6.267 -17.960 1.00 1.14 H new ATOM 0 HB3 ALA A 16 5.924 -5.643 -19.532 1.00 1.14 H new ATOM 236 N GLU A 17 6.417 -2.819 -20.238 1.00 1.15 N ATOM 237 CA GLU A 17 6.723 -1.967 -21.419 1.00 1.19 C ATOM 238 C GLU A 17 6.369 -0.511 -21.111 1.00 1.29 C ATOM 239 O GLU A 17 7.215 0.278 -20.739 1.00 1.41 O ATOM 240 CB GLU A 17 5.900 -2.450 -22.614 1.00 1.32 C ATOM 241 CG GLU A 17 6.693 -3.503 -23.391 1.00 1.41 C ATOM 242 CD GLU A 17 7.963 -2.869 -23.959 1.00 1.67 C ATOM 243 OE1 GLU A 17 7.876 -1.761 -24.461 1.00 2.13 O ATOM 244 OE2 GLU A 17 9.004 -3.503 -23.881 1.00 1.96 O ATOM 0 H GLU A 17 5.424 -2.946 -20.040 1.00 1.15 H new ATOM 0 HA GLU A 17 7.786 -2.036 -21.652 1.00 1.19 H new ATOM 0 HB2 GLU A 17 4.955 -2.871 -22.271 1.00 1.32 H new ATOM 0 HB3 GLU A 17 5.657 -1.610 -23.265 1.00 1.32 H new ATOM 0 HG2 GLU A 17 6.951 -4.336 -22.736 1.00 1.41 H new ATOM 0 HG3 GLU A 17 6.084 -3.909 -24.199 1.00 1.41 H new ATOM 251 N SER A 18 5.125 -0.147 -21.264 1.00 1.41 N ATOM 252 CA SER A 18 4.721 1.260 -20.982 1.00 1.64 C ATOM 253 C SER A 18 4.353 1.400 -19.504 1.00 1.51 C ATOM 254 O SER A 18 3.800 0.502 -18.903 1.00 1.30 O ATOM 255 CB SER A 18 3.512 1.624 -21.844 1.00 2.02 C ATOM 256 OG SER A 18 3.919 1.734 -23.201 1.00 2.26 O ATOM 0 H SER A 18 4.372 -0.762 -21.572 1.00 1.41 H new ATOM 0 HA SER A 18 5.549 1.929 -21.214 1.00 1.64 H new ATOM 0 HB2 SER A 18 2.738 0.863 -21.745 1.00 2.02 H new ATOM 0 HB3 SER A 18 3.079 2.565 -21.505 1.00 2.02 H new ATOM 0 HG SER A 18 3.146 1.966 -23.757 1.00 2.26 H new ATOM 262 N LEU A 19 4.658 2.524 -18.913 1.00 1.67 N ATOM 263 CA LEU A 19 4.325 2.723 -17.474 1.00 1.59 C ATOM 264 C LEU A 19 2.811 2.615 -17.280 1.00 1.72 C ATOM 265 O LEU A 19 2.329 1.790 -16.529 1.00 2.45 O ATOM 266 CB LEU A 19 4.798 4.108 -17.028 1.00 1.61 C ATOM 267 CG LEU A 19 6.173 3.991 -16.370 1.00 1.71 C ATOM 268 CD1 LEU A 19 6.759 5.388 -16.158 1.00 2.60 C ATOM 269 CD2 LEU A 19 6.033 3.289 -15.018 1.00 1.37 C ATOM 0 H LEU A 19 5.123 3.312 -19.364 1.00 1.67 H new ATOM 0 HA LEU A 19 4.823 1.959 -16.877 1.00 1.59 H new ATOM 0 HB2 LEU A 19 4.849 4.780 -17.885 1.00 1.61 H new ATOM 0 HB3 LEU A 19 4.083 4.540 -16.327 1.00 1.61 H new ATOM 0 HG LEU A 19 6.835 3.413 -17.015 1.00 1.71 H new ATOM 0 HD11 LEU A 19 7.739 5.304 -15.689 1.00 2.60 H new ATOM 0 HD12 LEU A 19 6.859 5.890 -17.120 1.00 2.60 H new ATOM 0 HD13 LEU A 19 6.097 5.966 -15.514 1.00 2.60 H new ATOM 0 HD21 LEU A 19 7.013 3.205 -14.548 1.00 1.37 H new ATOM 0 HD22 LEU A 19 5.370 3.868 -14.374 1.00 1.37 H new ATOM 0 HD23 LEU A 19 5.616 2.293 -15.167 1.00 1.37 H new ATOM 281 N GLY A 20 2.057 3.442 -17.952 1.00 1.44 N ATOM 282 CA GLY A 20 0.575 3.385 -17.805 1.00 1.58 C ATOM 283 C GLY A 20 0.070 4.693 -17.193 1.00 1.59 C ATOM 284 O GLY A 20 0.804 5.653 -17.067 1.00 1.62 O ATOM 0 H GLY A 20 2.403 4.154 -18.596 1.00 1.44 H new ATOM 0 HA2 GLY A 20 0.109 3.223 -18.777 1.00 1.58 H new ATOM 0 HA3 GLY A 20 0.294 2.543 -17.172 1.00 1.58 H new ATOM 288 N PRO A 21 -1.179 4.725 -16.814 1.00 1.60 N ATOM 289 CA PRO A 21 -1.806 5.930 -16.203 1.00 1.60 C ATOM 290 C PRO A 21 -1.373 6.133 -14.748 1.00 1.43 C ATOM 291 O PRO A 21 -1.488 7.212 -14.201 1.00 1.67 O ATOM 292 CB PRO A 21 -3.305 5.637 -16.278 1.00 1.68 C ATOM 293 CG PRO A 21 -3.419 4.148 -16.298 1.00 1.70 C ATOM 294 CD PRO A 21 -2.133 3.610 -16.931 1.00 1.63 C ATOM 0 HA PRO A 21 -1.515 6.844 -16.720 1.00 1.60 H new ATOM 0 HB2 PRO A 21 -3.831 6.060 -15.422 1.00 1.68 H new ATOM 0 HB3 PRO A 21 -3.747 6.077 -17.172 1.00 1.68 H new ATOM 0 HG2 PRO A 21 -3.545 3.757 -15.288 1.00 1.70 H new ATOM 0 HG3 PRO A 21 -4.291 3.836 -16.872 1.00 1.70 H new ATOM 0 HD2 PRO A 21 -1.774 2.722 -16.410 1.00 1.63 H new ATOM 0 HD3 PRO A 21 -2.290 3.327 -17.972 1.00 1.63 H new ATOM 302 N TRP A 22 -0.873 5.106 -14.117 1.00 1.30 N ATOM 303 CA TRP A 22 -0.432 5.245 -12.701 1.00 1.15 C ATOM 304 C TRP A 22 0.498 6.454 -12.576 1.00 1.24 C ATOM 305 O TRP A 22 0.616 7.253 -13.484 1.00 1.48 O ATOM 306 CB TRP A 22 0.312 3.980 -12.269 1.00 1.19 C ATOM 307 CG TRP A 22 -0.673 2.890 -11.990 1.00 1.24 C ATOM 308 CD1 TRP A 22 -1.685 2.527 -12.812 1.00 1.40 C ATOM 309 CD2 TRP A 22 -0.762 2.020 -10.824 1.00 1.50 C ATOM 310 NE1 TRP A 22 -2.387 1.489 -12.228 1.00 1.52 N ATOM 311 CE2 TRP A 22 -1.857 1.140 -11.001 1.00 1.59 C ATOM 312 CE3 TRP A 22 -0.007 1.908 -9.643 1.00 1.94 C ATOM 313 CZ2 TRP A 22 -2.191 0.184 -10.039 1.00 1.97 C ATOM 314 CZ3 TRP A 22 -0.340 0.949 -8.673 1.00 2.42 C ATOM 315 CH2 TRP A 22 -1.429 0.089 -8.870 1.00 2.39 C ATOM 0 H TRP A 22 -0.751 4.177 -14.521 1.00 1.30 H new ATOM 0 HA TRP A 22 -1.303 5.387 -12.061 1.00 1.15 H new ATOM 0 HB2 TRP A 22 1.004 3.668 -13.051 1.00 1.19 H new ATOM 0 HB3 TRP A 22 0.908 4.182 -11.379 1.00 1.19 H new ATOM 0 HD1 TRP A 22 -1.908 2.975 -13.769 1.00 1.40 H new ATOM 0 HE1 TRP A 22 -3.197 1.036 -12.651 1.00 1.52 H new ATOM 0 HE3 TRP A 22 0.835 2.564 -9.481 1.00 1.94 H new ATOM 0 HZ2 TRP A 22 -3.031 -0.476 -10.197 1.00 1.97 H new ATOM 0 HZ3 TRP A 22 0.247 0.874 -7.769 1.00 2.42 H new ATOM 0 HH2 TRP A 22 -1.680 -0.646 -8.120 1.00 2.39 H new ATOM 326 N SER A 23 1.158 6.597 -11.459 1.00 1.20 N ATOM 327 CA SER A 23 2.078 7.756 -11.282 1.00 1.36 C ATOM 328 C SER A 23 3.306 7.316 -10.484 1.00 1.28 C ATOM 329 O SER A 23 3.348 6.231 -9.938 1.00 1.33 O ATOM 330 CB SER A 23 1.353 8.871 -10.529 1.00 1.45 C ATOM 331 OG SER A 23 0.707 9.726 -11.463 1.00 1.64 O ATOM 0 H SER A 23 1.100 5.962 -10.663 1.00 1.20 H new ATOM 0 HA SER A 23 2.393 8.122 -12.259 1.00 1.36 H new ATOM 0 HB2 SER A 23 0.622 8.445 -9.842 1.00 1.45 H new ATOM 0 HB3 SER A 23 2.062 9.440 -9.928 1.00 1.45 H new ATOM 0 HG SER A 23 0.504 9.224 -12.280 1.00 1.64 H new ATOM 337 N LEU A 24 4.308 8.150 -10.410 1.00 1.31 N ATOM 338 CA LEU A 24 5.531 7.777 -9.646 1.00 1.25 C ATOM 339 C LEU A 24 6.424 9.007 -9.476 1.00 1.30 C ATOM 340 O LEU A 24 6.595 9.794 -10.386 1.00 1.47 O ATOM 341 CB LEU A 24 6.298 6.693 -10.405 1.00 1.40 C ATOM 342 CG LEU A 24 6.715 7.230 -11.776 1.00 1.44 C ATOM 343 CD1 LEU A 24 8.181 7.663 -11.731 1.00 2.02 C ATOM 344 CD2 LEU A 24 6.539 6.131 -12.825 1.00 2.05 C ATOM 0 H LEU A 24 4.332 9.072 -10.845 1.00 1.31 H new ATOM 0 HA LEU A 24 5.242 7.399 -8.665 1.00 1.25 H new ATOM 0 HB2 LEU A 24 7.178 6.390 -9.838 1.00 1.40 H new ATOM 0 HB3 LEU A 24 5.675 5.807 -10.524 1.00 1.40 H new ATOM 0 HG LEU A 24 6.093 8.086 -12.037 1.00 1.44 H new ATOM 0 HD11 LEU A 24 8.478 8.045 -12.708 1.00 2.02 H new ATOM 0 HD12 LEU A 24 8.307 8.445 -10.982 1.00 2.02 H new ATOM 0 HD13 LEU A 24 8.805 6.808 -11.471 1.00 2.02 H new ATOM 0 HD21 LEU A 24 6.835 6.511 -13.803 1.00 2.05 H new ATOM 0 HD22 LEU A 24 7.162 5.276 -12.564 1.00 2.05 H new ATOM 0 HD23 LEU A 24 5.494 5.822 -12.857 1.00 2.05 H new ATOM 356 N TYR A 25 6.995 9.180 -8.314 1.00 1.23 N ATOM 357 CA TYR A 25 7.877 10.359 -8.085 1.00 1.38 C ATOM 358 C TYR A 25 8.454 10.296 -6.669 1.00 1.34 C ATOM 359 O TYR A 25 7.920 9.638 -5.799 1.00 1.42 O ATOM 360 CB TYR A 25 7.062 11.645 -8.247 1.00 1.72 C ATOM 361 CG TYR A 25 6.369 11.973 -6.946 1.00 1.09 C ATOM 362 CD1 TYR A 25 5.795 10.950 -6.180 1.00 1.62 C ATOM 363 CD2 TYR A 25 6.299 13.300 -6.505 1.00 1.22 C ATOM 364 CE1 TYR A 25 5.155 11.255 -4.973 1.00 1.57 C ATOM 365 CE2 TYR A 25 5.657 13.604 -5.299 1.00 1.27 C ATOM 366 CZ TYR A 25 5.085 12.582 -4.532 1.00 1.08 C ATOM 367 OH TYR A 25 4.452 12.882 -3.343 1.00 1.63 O ATOM 0 H TYR A 25 6.888 8.556 -7.514 1.00 1.23 H new ATOM 0 HA TYR A 25 8.691 10.351 -8.810 1.00 1.38 H new ATOM 0 HB2 TYR A 25 7.715 12.467 -8.540 1.00 1.72 H new ATOM 0 HB3 TYR A 25 6.326 11.524 -9.042 1.00 1.72 H new ATOM 0 HD1 TYR A 25 5.846 9.926 -6.521 1.00 1.62 H new ATOM 0 HD2 TYR A 25 6.740 14.089 -7.096 1.00 1.22 H new ATOM 0 HE1 TYR A 25 4.715 10.466 -4.381 1.00 1.57 H new ATOM 0 HE2 TYR A 25 5.603 14.628 -4.960 1.00 1.27 H new ATOM 0 HH TYR A 25 4.494 13.848 -3.185 1.00 1.63 H new ATOM 377 N GLY A 26 9.539 10.981 -6.430 1.00 1.33 N ATOM 378 CA GLY A 26 10.146 10.966 -5.069 1.00 1.32 C ATOM 379 C GLY A 26 11.434 10.139 -5.083 1.00 1.25 C ATOM 380 O GLY A 26 12.329 10.362 -4.293 1.00 1.70 O ATOM 0 H GLY A 26 10.031 11.550 -7.118 1.00 1.33 H new ATOM 0 HA2 GLY A 26 10.361 11.985 -4.746 1.00 1.32 H new ATOM 0 HA3 GLY A 26 9.441 10.546 -4.351 1.00 1.32 H new ATOM 384 N THR A 27 11.541 9.190 -5.974 1.00 0.93 N ATOM 385 CA THR A 27 12.781 8.363 -6.024 1.00 0.90 C ATOM 386 C THR A 27 13.568 8.712 -7.289 1.00 0.92 C ATOM 387 O THR A 27 13.623 9.851 -7.708 1.00 0.97 O ATOM 388 CB THR A 27 12.399 6.875 -6.044 1.00 0.88 C ATOM 389 OG1 THR A 27 13.367 6.123 -6.760 1.00 0.73 O ATOM 390 CG2 THR A 27 11.029 6.703 -6.702 1.00 0.95 C ATOM 0 H THR A 27 10.829 8.953 -6.665 1.00 0.93 H new ATOM 0 HA THR A 27 13.396 8.565 -5.147 1.00 0.90 H new ATOM 0 HB THR A 27 12.360 6.511 -5.017 1.00 0.88 H new ATOM 0 HG1 THR A 27 14.171 6.017 -6.210 1.00 0.73 H new ATOM 0 HG21 THR A 27 10.761 5.646 -6.714 1.00 0.95 H new ATOM 0 HG22 THR A 27 10.282 7.260 -6.137 1.00 0.95 H new ATOM 0 HG23 THR A 27 11.066 7.080 -7.724 1.00 0.95 H new ATOM 398 N SER A 28 14.166 7.734 -7.902 1.00 1.12 N ATOM 399 CA SER A 28 14.942 7.987 -9.148 1.00 1.40 C ATOM 400 C SER A 28 14.022 7.799 -10.354 1.00 1.29 C ATOM 401 O SER A 28 12.813 7.800 -10.229 1.00 0.98 O ATOM 402 CB SER A 28 16.108 7.000 -9.233 1.00 1.80 C ATOM 403 OG SER A 28 15.632 5.688 -8.963 1.00 1.73 O ATOM 0 H SER A 28 14.152 6.762 -7.593 1.00 1.12 H new ATOM 0 HA SER A 28 15.333 9.004 -9.139 1.00 1.40 H new ATOM 0 HB2 SER A 28 16.561 7.038 -10.224 1.00 1.80 H new ATOM 0 HB3 SER A 28 16.884 7.273 -8.517 1.00 1.80 H new ATOM 0 HG SER A 28 15.802 5.113 -9.738 1.00 1.73 H new ATOM 409 N GLU A 29 14.581 7.626 -11.520 1.00 1.62 N ATOM 410 CA GLU A 29 13.730 7.424 -12.724 1.00 1.60 C ATOM 411 C GLU A 29 13.471 5.924 -12.900 1.00 1.23 C ATOM 412 O GLU A 29 14.388 5.128 -12.848 1.00 1.37 O ATOM 413 CB GLU A 29 14.454 7.966 -13.958 1.00 2.07 C ATOM 414 CG GLU A 29 15.937 7.598 -13.884 1.00 1.86 C ATOM 415 CD GLU A 29 16.447 7.244 -15.282 1.00 1.99 C ATOM 416 OE1 GLU A 29 16.498 8.134 -16.115 1.00 2.35 O ATOM 417 OE2 GLU A 29 16.777 6.089 -15.496 1.00 2.40 O ATOM 0 H GLU A 29 15.587 7.616 -11.690 1.00 1.62 H new ATOM 0 HA GLU A 29 12.784 7.952 -12.603 1.00 1.60 H new ATOM 0 HB2 GLU A 29 14.011 7.552 -14.864 1.00 2.07 H new ATOM 0 HB3 GLU A 29 14.340 9.049 -14.013 1.00 2.07 H new ATOM 0 HG2 GLU A 29 16.509 8.432 -13.477 1.00 1.86 H new ATOM 0 HG3 GLU A 29 16.080 6.754 -13.209 1.00 1.86 H new ATOM 424 N PRO A 30 12.239 5.534 -13.102 1.00 0.95 N ATOM 425 CA PRO A 30 11.878 4.098 -13.280 1.00 0.81 C ATOM 426 C PRO A 30 12.393 3.542 -14.610 1.00 0.80 C ATOM 427 O PRO A 30 12.229 4.148 -15.651 1.00 0.86 O ATOM 428 CB PRO A 30 10.349 4.092 -13.253 1.00 0.94 C ATOM 429 CG PRO A 30 9.937 5.474 -13.640 1.00 1.13 C ATOM 430 CD PRO A 30 11.058 6.409 -13.187 1.00 1.10 C ATOM 0 HA PRO A 30 12.322 3.470 -12.508 1.00 0.81 H new ATOM 0 HB2 PRO A 30 9.947 3.354 -13.947 1.00 0.94 H new ATOM 0 HB3 PRO A 30 9.975 3.834 -12.262 1.00 0.94 H new ATOM 0 HG2 PRO A 30 9.785 5.545 -14.717 1.00 1.13 H new ATOM 0 HG3 PRO A 30 8.993 5.743 -13.166 1.00 1.13 H new ATOM 0 HD2 PRO A 30 11.213 7.220 -13.898 1.00 1.10 H new ATOM 0 HD3 PRO A 30 10.831 6.868 -12.225 1.00 1.10 H new ATOM 438 N VAL A 31 13.019 2.399 -14.586 1.00 0.80 N ATOM 439 CA VAL A 31 13.546 1.816 -15.852 1.00 0.82 C ATOM 440 C VAL A 31 12.881 0.465 -16.119 1.00 0.78 C ATOM 441 O VAL A 31 13.118 -0.500 -15.419 1.00 0.84 O ATOM 442 CB VAL A 31 15.059 1.625 -15.732 1.00 0.92 C ATOM 443 CG1 VAL A 31 15.619 1.137 -17.069 1.00 0.99 C ATOM 444 CG2 VAL A 31 15.714 2.957 -15.361 1.00 1.05 C ATOM 0 H VAL A 31 13.189 1.844 -13.747 1.00 0.80 H new ATOM 0 HA VAL A 31 13.326 2.492 -16.678 1.00 0.82 H new ATOM 0 HB VAL A 31 15.271 0.888 -14.958 1.00 0.92 H new ATOM 0 HG11 VAL A 31 16.697 1.001 -16.984 1.00 0.99 H new ATOM 0 HG12 VAL A 31 15.153 0.188 -17.334 1.00 0.99 H new ATOM 0 HG13 VAL A 31 15.406 1.874 -17.843 1.00 0.99 H new ATOM 0 HG21 VAL A 31 16.792 2.821 -15.275 1.00 1.05 H new ATOM 0 HG22 VAL A 31 15.502 3.695 -16.135 1.00 1.05 H new ATOM 0 HG23 VAL A 31 15.316 3.305 -14.408 1.00 1.05 H new ATOM 454 N PHE A 32 12.058 0.392 -17.133 1.00 0.74 N ATOM 455 CA PHE A 32 11.380 -0.894 -17.464 1.00 0.77 C ATOM 456 C PHE A 32 12.340 -1.790 -18.247 1.00 0.87 C ATOM 457 O PHE A 32 12.340 -1.809 -19.463 1.00 1.19 O ATOM 458 CB PHE A 32 10.127 -0.618 -18.299 1.00 0.78 C ATOM 459 CG PHE A 32 10.310 0.647 -19.104 1.00 0.93 C ATOM 460 CD1 PHE A 32 11.576 1.007 -19.583 1.00 1.50 C ATOM 461 CD2 PHE A 32 9.204 1.464 -19.371 1.00 1.63 C ATOM 462 CE1 PHE A 32 11.734 2.182 -20.329 1.00 1.78 C ATOM 463 CE2 PHE A 32 9.362 2.638 -20.118 1.00 1.82 C ATOM 464 CZ PHE A 32 10.628 2.996 -20.596 1.00 1.56 C ATOM 0 H PHE A 32 11.826 1.172 -17.748 1.00 0.74 H new ATOM 0 HA PHE A 32 11.089 -1.398 -16.542 1.00 0.77 H new ATOM 0 HB2 PHE A 32 9.932 -1.458 -18.966 1.00 0.78 H new ATOM 0 HB3 PHE A 32 9.259 -0.521 -17.646 1.00 0.78 H new ATOM 0 HD1 PHE A 32 12.430 0.379 -19.377 1.00 1.50 H new ATOM 0 HD2 PHE A 32 8.228 1.188 -19.000 1.00 1.63 H new ATOM 0 HE1 PHE A 32 12.710 2.460 -20.698 1.00 1.78 H new ATOM 0 HE2 PHE A 32 8.508 3.266 -20.325 1.00 1.82 H new ATOM 0 HZ PHE A 32 10.751 3.902 -21.172 1.00 1.56 H new ATOM 474 N ALA A 33 13.161 -2.533 -17.556 1.00 0.77 N ATOM 475 CA ALA A 33 14.127 -3.429 -18.254 1.00 0.84 C ATOM 476 C ALA A 33 13.370 -4.374 -19.190 1.00 0.67 C ATOM 477 O ALA A 33 12.422 -3.988 -19.846 1.00 0.92 O ATOM 478 CB ALA A 33 14.900 -4.248 -17.219 1.00 1.17 C ATOM 0 H ALA A 33 13.205 -2.558 -16.537 1.00 0.77 H new ATOM 0 HA ALA A 33 14.823 -2.826 -18.837 1.00 0.84 H new ATOM 0 HB1 ALA A 33 15.607 -4.904 -17.728 1.00 1.17 H new ATOM 0 HB2 ALA A 33 15.443 -3.576 -16.554 1.00 1.17 H new ATOM 0 HB3 ALA A 33 14.202 -4.849 -16.636 1.00 1.17 H new ATOM 484 N ASP A 34 13.780 -5.611 -19.258 1.00 0.77 N ATOM 485 CA ASP A 34 13.085 -6.578 -20.152 1.00 0.85 C ATOM 486 C ASP A 34 11.575 -6.481 -19.928 1.00 0.84 C ATOM 487 O ASP A 34 10.838 -6.033 -20.784 1.00 0.99 O ATOM 488 CB ASP A 34 13.558 -7.998 -19.834 1.00 1.13 C ATOM 489 CG ASP A 34 15.076 -8.081 -20.004 1.00 1.54 C ATOM 490 OD1 ASP A 34 15.776 -7.540 -19.165 1.00 1.78 O ATOM 491 OD2 ASP A 34 15.511 -8.684 -20.971 1.00 2.21 O ATOM 0 H ASP A 34 14.566 -5.993 -18.733 1.00 0.77 H new ATOM 0 HA ASP A 34 13.315 -6.344 -21.191 1.00 0.85 H new ATOM 0 HB2 ASP A 34 13.281 -8.265 -18.814 1.00 1.13 H new ATOM 0 HB3 ASP A 34 13.068 -8.713 -20.495 1.00 1.13 H new ATOM 496 N GLY A 35 11.108 -6.898 -18.784 1.00 0.84 N ATOM 497 CA GLY A 35 9.646 -6.828 -18.504 1.00 1.02 C ATOM 498 C GLY A 35 9.426 -6.430 -17.044 1.00 0.90 C ATOM 499 O GLY A 35 8.498 -6.880 -16.401 1.00 1.19 O ATOM 0 H GLY A 35 11.676 -7.285 -18.030 1.00 0.84 H new ATOM 0 HA2 GLY A 35 9.172 -6.102 -19.165 1.00 1.02 H new ATOM 0 HA3 GLY A 35 9.180 -7.793 -18.703 1.00 1.02 H new ATOM 503 N ARG A 36 10.273 -5.590 -16.515 1.00 0.66 N ATOM 504 CA ARG A 36 10.112 -5.165 -15.097 1.00 0.63 C ATOM 505 C ARG A 36 10.650 -3.745 -14.922 1.00 0.62 C ATOM 506 O ARG A 36 11.587 -3.340 -15.582 1.00 0.68 O ATOM 507 CB ARG A 36 10.897 -6.112 -14.188 1.00 0.70 C ATOM 508 CG ARG A 36 12.187 -6.541 -14.889 1.00 1.16 C ATOM 509 CD ARG A 36 13.140 -7.172 -13.870 1.00 1.40 C ATOM 510 NE ARG A 36 13.342 -8.610 -14.206 1.00 2.02 N ATOM 511 CZ ARG A 36 14.330 -9.272 -13.669 1.00 2.19 C ATOM 512 NH1 ARG A 36 15.140 -8.676 -12.837 1.00 2.28 N ATOM 513 NH2 ARG A 36 14.508 -10.532 -13.962 1.00 2.91 N ATOM 0 H ARG A 36 11.069 -5.180 -17.004 1.00 0.66 H new ATOM 0 HA ARG A 36 9.055 -5.192 -14.833 1.00 0.63 H new ATOM 0 HB2 ARG A 36 11.130 -5.618 -13.245 1.00 0.70 H new ATOM 0 HB3 ARG A 36 10.293 -6.987 -13.948 1.00 0.70 H new ATOM 0 HG2 ARG A 36 11.962 -7.254 -15.682 1.00 1.16 H new ATOM 0 HG3 ARG A 36 12.661 -5.680 -15.360 1.00 1.16 H new ATOM 0 HD2 ARG A 36 14.096 -6.648 -13.876 1.00 1.40 H new ATOM 0 HD3 ARG A 36 12.730 -7.076 -12.864 1.00 1.40 H new ATOM 0 HE ARG A 36 12.708 -9.076 -14.855 1.00 2.02 H new ATOM 0 HH11 ARG A 36 15.001 -7.692 -12.606 1.00 2.28 H new ATOM 0 HH12 ARG A 36 15.912 -9.194 -12.418 1.00 2.28 H new ATOM 0 HH21 ARG A 36 13.875 -10.999 -14.611 1.00 2.91 H new ATOM 0 HH22 ARG A 36 15.280 -11.049 -13.542 1.00 2.91 H new ATOM 527 N MET A 37 10.070 -2.986 -14.033 1.00 0.63 N ATOM 528 CA MET A 37 10.559 -1.598 -13.812 1.00 0.67 C ATOM 529 C MET A 37 10.982 -1.440 -12.353 1.00 0.68 C ATOM 530 O MET A 37 10.278 -1.836 -11.446 1.00 0.67 O ATOM 531 CB MET A 37 9.447 -0.598 -14.147 1.00 0.71 C ATOM 532 CG MET A 37 8.601 -0.324 -12.902 1.00 0.75 C ATOM 533 SD MET A 37 7.157 0.663 -13.360 1.00 0.88 S ATOM 534 CE MET A 37 7.166 1.762 -11.922 1.00 0.93 C ATOM 0 H MET A 37 9.280 -3.267 -13.452 1.00 0.63 H new ATOM 0 HA MET A 37 11.414 -1.403 -14.459 1.00 0.67 H new ATOM 0 HB2 MET A 37 9.881 0.332 -14.514 1.00 0.71 H new ATOM 0 HB3 MET A 37 8.818 -0.994 -14.945 1.00 0.71 H new ATOM 0 HG2 MET A 37 8.284 -1.264 -12.451 1.00 0.75 H new ATOM 0 HG3 MET A 37 9.194 0.204 -12.155 1.00 0.75 H new ATOM 0 HE1 MET A 37 6.340 2.469 -11.999 1.00 0.93 H new ATOM 0 HE2 MET A 37 7.055 1.172 -11.012 1.00 0.93 H new ATOM 0 HE3 MET A 37 8.109 2.308 -11.887 1.00 0.93 H new ATOM 544 N CYS A 38 12.134 -0.875 -12.120 1.00 0.73 N ATOM 545 CA CYS A 38 12.598 -0.711 -10.715 1.00 0.78 C ATOM 546 C CYS A 38 13.020 0.737 -10.459 1.00 0.89 C ATOM 547 O CYS A 38 13.566 1.399 -11.320 1.00 0.88 O ATOM 548 CB CYS A 38 13.792 -1.635 -10.465 1.00 0.79 C ATOM 549 SG CYS A 38 13.410 -3.294 -11.077 1.00 1.06 S ATOM 0 H CYS A 38 12.770 -0.522 -12.836 1.00 0.73 H new ATOM 0 HA CYS A 38 11.780 -0.967 -10.041 1.00 0.78 H new ATOM 0 HB2 CYS A 38 14.678 -1.246 -10.967 1.00 0.79 H new ATOM 0 HB3 CYS A 38 14.020 -1.672 -9.400 1.00 0.79 H new ATOM 554 N VAL A 39 12.781 1.224 -9.272 1.00 1.04 N ATOM 555 CA VAL A 39 13.177 2.621 -8.940 1.00 1.18 C ATOM 556 C VAL A 39 14.303 2.579 -7.905 1.00 1.37 C ATOM 557 O VAL A 39 14.341 1.710 -7.054 1.00 1.26 O ATOM 558 CB VAL A 39 11.979 3.376 -8.359 1.00 1.18 C ATOM 559 CG1 VAL A 39 11.245 4.111 -9.482 1.00 1.26 C ATOM 560 CG2 VAL A 39 11.025 2.382 -7.693 1.00 1.26 C ATOM 0 H VAL A 39 12.327 0.712 -8.516 1.00 1.04 H new ATOM 0 HA VAL A 39 13.515 3.132 -9.842 1.00 1.18 H new ATOM 0 HB VAL A 39 12.328 4.097 -7.620 1.00 1.18 H new ATOM 0 HG11 VAL A 39 10.392 4.649 -9.068 1.00 1.26 H new ATOM 0 HG12 VAL A 39 11.924 4.819 -9.958 1.00 1.26 H new ATOM 0 HG13 VAL A 39 10.896 3.390 -10.221 1.00 1.26 H new ATOM 0 HG21 VAL A 39 10.171 2.919 -7.279 1.00 1.26 H new ATOM 0 HG22 VAL A 39 10.676 1.661 -8.432 1.00 1.26 H new ATOM 0 HG23 VAL A 39 11.547 1.857 -6.893 1.00 1.26 H new ATOM 570 N ASP A 40 15.222 3.502 -7.972 1.00 1.71 N ATOM 571 CA ASP A 40 16.345 3.505 -6.993 1.00 1.97 C ATOM 572 C ASP A 40 15.849 4.010 -5.637 1.00 1.61 C ATOM 573 O ASP A 40 15.321 5.099 -5.524 1.00 2.31 O ATOM 574 CB ASP A 40 17.460 4.423 -7.500 1.00 3.21 C ATOM 575 CG ASP A 40 17.664 4.199 -9.000 1.00 4.09 C ATOM 576 OD1 ASP A 40 16.697 3.869 -9.666 1.00 4.39 O ATOM 577 OD2 ASP A 40 18.784 4.361 -9.456 1.00 4.79 O ATOM 0 H ASP A 40 15.244 4.253 -8.661 1.00 1.71 H new ATOM 0 HA ASP A 40 16.727 2.490 -6.882 1.00 1.97 H new ATOM 0 HB2 ASP A 40 17.203 5.465 -7.309 1.00 3.21 H new ATOM 0 HB3 ASP A 40 18.386 4.219 -6.962 1.00 3.21 H new ATOM 582 N LEU A 41 16.018 3.228 -4.605 1.00 1.25 N ATOM 583 CA LEU A 41 15.562 3.664 -3.255 1.00 1.86 C ATOM 584 C LEU A 41 16.750 3.644 -2.290 1.00 1.67 C ATOM 585 O LEU A 41 16.871 2.766 -1.459 1.00 1.20 O ATOM 586 CB LEU A 41 14.476 2.712 -2.746 1.00 2.45 C ATOM 587 CG LEU A 41 13.103 3.216 -3.193 1.00 2.88 C ATOM 588 CD1 LEU A 41 12.825 4.575 -2.549 1.00 2.65 C ATOM 589 CD2 LEU A 41 13.084 3.360 -4.717 1.00 3.54 C ATOM 0 H LEU A 41 16.452 2.306 -4.639 1.00 1.25 H new ATOM 0 HA LEU A 41 15.156 4.674 -3.317 1.00 1.86 H new ATOM 0 HB2 LEU A 41 14.649 1.707 -3.131 1.00 2.45 H new ATOM 0 HB3 LEU A 41 14.515 2.648 -1.659 1.00 2.45 H new ATOM 0 HG LEU A 41 12.337 2.505 -2.886 1.00 2.88 H new ATOM 0 HD11 LEU A 41 11.847 4.935 -2.867 1.00 2.65 H new ATOM 0 HD12 LEU A 41 12.839 4.473 -1.464 1.00 2.65 H new ATOM 0 HD13 LEU A 41 13.591 5.287 -2.856 1.00 2.65 H new ATOM 0 HD21 LEU A 41 12.106 3.719 -5.036 1.00 3.54 H new ATOM 0 HD22 LEU A 41 13.850 4.072 -5.025 1.00 3.54 H new ATOM 0 HD23 LEU A 41 13.283 2.392 -5.176 1.00 3.54 H new ATOM 601 N PRO A 42 17.620 4.609 -2.407 1.00 2.30 N ATOM 602 CA PRO A 42 18.828 4.719 -1.540 1.00 2.32 C ATOM 603 C PRO A 42 18.496 4.553 -0.055 1.00 1.85 C ATOM 604 O PRO A 42 17.410 4.142 0.306 1.00 2.18 O ATOM 605 CB PRO A 42 19.348 6.131 -1.814 1.00 3.11 C ATOM 606 CG PRO A 42 18.846 6.484 -3.176 1.00 3.74 C ATOM 607 CD PRO A 42 17.546 5.707 -3.385 1.00 3.24 C ATOM 0 HA PRO A 42 19.554 3.936 -1.761 1.00 2.32 H new ATOM 0 HB2 PRO A 42 18.983 6.835 -1.067 1.00 3.11 H new ATOM 0 HB3 PRO A 42 20.437 6.162 -1.777 1.00 3.11 H new ATOM 0 HG2 PRO A 42 18.672 7.557 -3.257 1.00 3.74 H new ATOM 0 HG3 PRO A 42 19.580 6.221 -3.938 1.00 3.74 H new ATOM 0 HD2 PRO A 42 16.673 6.337 -3.211 1.00 3.24 H new ATOM 0 HD3 PRO A 42 17.468 5.328 -4.404 1.00 3.24 H new ATOM 615 N GLY A 43 19.422 4.869 0.808 1.00 1.69 N ATOM 616 CA GLY A 43 19.160 4.730 2.267 1.00 1.65 C ATOM 617 C GLY A 43 19.411 6.070 2.961 1.00 1.62 C ATOM 618 O GLY A 43 20.272 6.189 3.811 1.00 2.03 O ATOM 0 H GLY A 43 20.349 5.218 0.565 1.00 1.69 H new ATOM 0 HA2 GLY A 43 18.132 4.409 2.434 1.00 1.65 H new ATOM 0 HA3 GLY A 43 19.806 3.962 2.692 1.00 1.65 H new ATOM 622 N GLY A 44 18.667 7.081 2.607 1.00 1.61 N ATOM 623 CA GLY A 44 18.864 8.412 3.247 1.00 2.13 C ATOM 624 C GLY A 44 17.563 9.214 3.176 1.00 2.06 C ATOM 625 O GLY A 44 17.549 10.412 3.379 1.00 2.41 O ATOM 0 H GLY A 44 17.931 7.043 1.902 1.00 1.61 H new ATOM 0 HA2 GLY A 44 19.169 8.286 4.286 1.00 2.13 H new ATOM 0 HA3 GLY A 44 19.665 8.954 2.744 1.00 2.13 H new ATOM 629 N GLN A 45 16.469 8.564 2.889 1.00 1.86 N ATOM 630 CA GLN A 45 15.171 9.289 2.805 1.00 1.96 C ATOM 631 C GLN A 45 14.389 9.087 4.104 1.00 1.90 C ATOM 632 O GLN A 45 13.639 8.142 4.249 1.00 1.92 O ATOM 633 CB GLN A 45 14.360 8.740 1.630 1.00 2.10 C ATOM 634 CG GLN A 45 14.686 9.536 0.365 1.00 2.29 C ATOM 635 CD GLN A 45 13.825 9.032 -0.793 1.00 2.34 C ATOM 636 OE1 GLN A 45 12.821 8.382 -0.581 1.00 2.96 O ATOM 637 NE2 GLN A 45 14.177 9.307 -2.019 1.00 2.07 N ATOM 0 H GLN A 45 16.418 7.561 2.709 1.00 1.86 H new ATOM 0 HA GLN A 45 15.356 10.353 2.655 1.00 1.96 H new ATOM 0 HB2 GLN A 45 14.590 7.685 1.478 1.00 2.10 H new ATOM 0 HB3 GLN A 45 13.294 8.806 1.849 1.00 2.10 H new ATOM 0 HG2 GLN A 45 14.502 10.597 0.533 1.00 2.29 H new ATOM 0 HG3 GLN A 45 15.743 9.431 0.119 1.00 2.29 H new ATOM 0 HE21 GLN A 45 15.020 9.853 -2.197 1.00 2.07 H new ATOM 0 HE22 GLN A 45 13.609 8.976 -2.799 1.00 2.07 H new ATOM 646 N GLY A 46 14.559 9.967 5.053 1.00 2.04 N ATOM 647 CA GLY A 46 13.826 9.824 6.342 1.00 2.08 C ATOM 648 C GLY A 46 12.339 10.107 6.118 1.00 2.01 C ATOM 649 O GLY A 46 11.522 9.913 6.996 1.00 2.08 O ATOM 0 H GLY A 46 15.174 10.779 4.991 1.00 2.04 H new ATOM 0 HA2 GLY A 46 13.960 8.818 6.739 1.00 2.08 H new ATOM 0 HA3 GLY A 46 14.231 10.515 7.081 1.00 2.08 H new ATOM 653 N ASN A 47 11.982 10.565 4.950 1.00 2.09 N ATOM 654 CA ASN A 47 10.550 10.860 4.671 1.00 2.14 C ATOM 655 C ASN A 47 9.937 9.700 3.879 1.00 1.80 C ATOM 656 O ASN A 47 10.401 9.366 2.807 1.00 1.63 O ATOM 657 CB ASN A 47 10.449 12.146 3.848 1.00 2.60 C ATOM 658 CG ASN A 47 11.684 12.277 2.954 1.00 2.84 C ATOM 659 OD1 ASN A 47 12.198 13.362 2.766 1.00 2.65 O ATOM 660 ND2 ASN A 47 12.182 11.211 2.390 1.00 3.61 N ATOM 0 H ASN A 47 12.621 10.748 4.176 1.00 2.09 H new ATOM 0 HA ASN A 47 10.012 10.984 5.611 1.00 2.14 H new ATOM 0 HB2 ASN A 47 9.545 12.130 3.238 1.00 2.60 H new ATOM 0 HB3 ASN A 47 10.372 13.009 4.510 1.00 2.60 H new ATOM 0 HD21 ASN A 47 13.004 11.288 1.791 1.00 3.61 H new ATOM 0 HD22 ASN A 47 11.750 10.301 2.549 1.00 3.61 H new ATOM 667 N PRO A 48 8.902 9.085 4.396 1.00 1.85 N ATOM 668 CA PRO A 48 8.226 7.944 3.713 1.00 1.74 C ATOM 669 C PRO A 48 7.340 8.404 2.552 1.00 1.36 C ATOM 670 O PRO A 48 6.633 7.619 1.952 1.00 1.19 O ATOM 671 CB PRO A 48 7.377 7.315 4.817 1.00 2.19 C ATOM 672 CG PRO A 48 7.090 8.423 5.774 1.00 2.36 C ATOM 673 CD PRO A 48 8.260 9.404 5.682 1.00 2.21 C ATOM 0 HA PRO A 48 8.944 7.255 3.268 1.00 1.74 H new ATOM 0 HB2 PRO A 48 6.455 6.896 4.413 1.00 2.19 H new ATOM 0 HB3 PRO A 48 7.910 6.500 5.307 1.00 2.19 H new ATOM 0 HG2 PRO A 48 6.151 8.917 5.523 1.00 2.36 H new ATOM 0 HG3 PRO A 48 6.987 8.039 6.789 1.00 2.36 H new ATOM 0 HD2 PRO A 48 7.915 10.438 5.709 1.00 2.21 H new ATOM 0 HD3 PRO A 48 8.952 9.277 6.514 1.00 2.21 H new ATOM 681 N TRP A 49 7.372 9.669 2.231 1.00 1.49 N ATOM 682 CA TRP A 49 6.530 10.173 1.110 1.00 1.39 C ATOM 683 C TRP A 49 7.418 10.851 0.066 1.00 1.17 C ATOM 684 O TRP A 49 7.019 11.801 -0.579 1.00 1.45 O ATOM 685 CB TRP A 49 5.510 11.178 1.650 1.00 1.79 C ATOM 686 CG TRP A 49 6.075 11.869 2.849 1.00 1.85 C ATOM 687 CD1 TRP A 49 5.688 11.648 4.125 1.00 1.69 C ATOM 688 CD2 TRP A 49 7.117 12.887 2.907 1.00 2.46 C ATOM 689 NE1 TRP A 49 6.424 12.465 4.965 1.00 1.97 N ATOM 690 CE2 TRP A 49 7.318 13.246 4.262 1.00 2.36 C ATOM 691 CE3 TRP A 49 7.898 13.526 1.929 1.00 3.27 C ATOM 692 CZ2 TRP A 49 8.262 14.208 4.631 1.00 2.90 C ATOM 693 CZ3 TRP A 49 8.848 14.492 2.297 1.00 3.87 C ATOM 694 CH2 TRP A 49 9.030 14.833 3.644 1.00 3.62 C ATOM 0 H TRP A 49 7.944 10.374 2.696 1.00 1.49 H new ATOM 0 HA TRP A 49 6.004 9.338 0.647 1.00 1.39 H new ATOM 0 HB2 TRP A 49 5.261 11.908 0.880 1.00 1.79 H new ATOM 0 HB3 TRP A 49 4.585 10.666 1.915 1.00 1.79 H new ATOM 0 HD1 TRP A 49 4.928 10.948 4.438 1.00 1.69 H new ATOM 0 HE1 TRP A 49 6.319 12.487 5.979 1.00 1.97 H new ATOM 0 HE3 TRP A 49 7.767 13.272 0.887 1.00 3.27 H new ATOM 0 HZ2 TRP A 49 8.397 14.467 5.671 1.00 2.90 H new ATOM 0 HZ3 TRP A 49 9.443 14.976 1.536 1.00 3.87 H new ATOM 0 HH2 TRP A 49 9.762 15.577 3.919 1.00 3.62 H new ATOM 705 N ASP A 50 8.619 10.371 -0.108 1.00 1.07 N ATOM 706 CA ASP A 50 9.530 10.988 -1.111 1.00 1.36 C ATOM 707 C ASP A 50 10.035 9.909 -2.072 1.00 1.21 C ATOM 708 O ASP A 50 11.201 9.864 -2.412 1.00 1.27 O ATOM 709 CB ASP A 50 10.721 11.628 -0.394 1.00 1.73 C ATOM 710 CG ASP A 50 10.364 13.057 0.018 1.00 2.02 C ATOM 711 OD1 ASP A 50 9.423 13.597 -0.541 1.00 2.38 O ATOM 712 OD2 ASP A 50 11.036 13.589 0.886 1.00 2.14 O ATOM 0 H ASP A 50 9.008 9.578 0.402 1.00 1.07 H new ATOM 0 HA ASP A 50 8.990 11.751 -1.671 1.00 1.36 H new ATOM 0 HB2 ASP A 50 10.987 11.041 0.485 1.00 1.73 H new ATOM 0 HB3 ASP A 50 11.592 11.634 -1.049 1.00 1.73 H new ATOM 717 N ALA A 51 9.169 9.039 -2.512 1.00 1.09 N ATOM 718 CA ALA A 51 9.602 7.965 -3.449 1.00 1.02 C ATOM 719 C ALA A 51 8.590 6.818 -3.416 1.00 0.89 C ATOM 720 O ALA A 51 8.463 6.119 -2.430 1.00 0.87 O ATOM 721 CB ALA A 51 10.976 7.443 -3.021 1.00 1.11 C ATOM 0 H ALA A 51 8.180 9.025 -2.263 1.00 1.09 H new ATOM 0 HA ALA A 51 9.661 8.367 -4.460 1.00 1.02 H new ATOM 0 HB1 ALA A 51 11.296 6.657 -3.705 1.00 1.11 H new ATOM 0 HB2 ALA A 51 11.698 8.259 -3.043 1.00 1.11 H new ATOM 0 HB3 ALA A 51 10.914 7.041 -2.010 1.00 1.11 H new ATOM 727 N GLY A 52 7.868 6.617 -4.484 1.00 0.86 N ATOM 728 CA GLY A 52 6.867 5.512 -4.502 1.00 0.86 C ATOM 729 C GLY A 52 5.902 5.699 -5.674 1.00 0.87 C ATOM 730 O GLY A 52 5.728 6.789 -6.181 1.00 0.94 O ATOM 0 H GLY A 52 7.927 7.167 -5.341 1.00 0.86 H new ATOM 0 HA2 GLY A 52 7.375 4.551 -4.588 1.00 0.86 H new ATOM 0 HA3 GLY A 52 6.313 5.497 -3.563 1.00 0.86 H new ATOM 734 N LEU A 53 5.265 4.642 -6.103 1.00 0.83 N ATOM 735 CA LEU A 53 4.304 4.758 -7.235 1.00 0.84 C ATOM 736 C LEU A 53 3.000 5.369 -6.725 1.00 0.79 C ATOM 737 O LEU A 53 2.889 5.739 -5.573 1.00 0.78 O ATOM 738 CB LEU A 53 4.015 3.373 -7.813 1.00 0.85 C ATOM 739 CG LEU A 53 5.319 2.585 -7.948 1.00 0.90 C ATOM 740 CD1 LEU A 53 5.092 1.377 -8.862 1.00 0.90 C ATOM 741 CD2 LEU A 53 6.399 3.485 -8.552 1.00 0.96 C ATOM 0 H LEU A 53 5.370 3.704 -5.717 1.00 0.83 H new ATOM 0 HA LEU A 53 4.735 5.391 -8.011 1.00 0.84 H new ATOM 0 HB2 LEU A 53 3.321 2.837 -7.166 1.00 0.85 H new ATOM 0 HB3 LEU A 53 3.535 3.468 -8.787 1.00 0.85 H new ATOM 0 HG LEU A 53 5.640 2.242 -6.964 1.00 0.90 H new ATOM 0 HD11 LEU A 53 6.021 0.815 -8.959 1.00 0.90 H new ATOM 0 HD12 LEU A 53 4.322 0.735 -8.433 1.00 0.90 H new ATOM 0 HD13 LEU A 53 4.771 1.720 -9.846 1.00 0.90 H new ATOM 0 HD21 LEU A 53 7.328 2.924 -8.648 1.00 0.96 H new ATOM 0 HD22 LEU A 53 6.079 3.828 -9.536 1.00 0.96 H new ATOM 0 HD23 LEU A 53 6.560 4.346 -7.903 1.00 0.96 H new ATOM 753 N VAL A 54 2.010 5.478 -7.570 1.00 0.79 N ATOM 754 CA VAL A 54 0.715 6.064 -7.123 1.00 0.78 C ATOM 755 C VAL A 54 -0.376 5.743 -8.150 1.00 0.80 C ATOM 756 O VAL A 54 -0.096 5.455 -9.296 1.00 0.90 O ATOM 757 CB VAL A 54 0.845 7.586 -6.988 1.00 0.89 C ATOM 758 CG1 VAL A 54 0.438 8.010 -5.576 1.00 0.92 C ATOM 759 CG2 VAL A 54 2.291 8.024 -7.249 1.00 0.92 C ATOM 0 H VAL A 54 2.042 5.187 -8.547 1.00 0.79 H new ATOM 0 HA VAL A 54 0.450 5.637 -6.156 1.00 0.78 H new ATOM 0 HB VAL A 54 0.192 8.060 -7.721 1.00 0.89 H new ATOM 0 HG11 VAL A 54 0.530 9.092 -5.480 1.00 0.92 H new ATOM 0 HG12 VAL A 54 -0.595 7.716 -5.392 1.00 0.92 H new ATOM 0 HG13 VAL A 54 1.088 7.524 -4.849 1.00 0.92 H new ATOM 0 HG21 VAL A 54 2.367 9.107 -7.149 1.00 0.92 H new ATOM 0 HG22 VAL A 54 2.952 7.546 -6.526 1.00 0.92 H new ATOM 0 HG23 VAL A 54 2.584 7.731 -8.257 1.00 0.92 H new ATOM 769 N TYR A 55 -1.618 5.802 -7.747 1.00 0.78 N ATOM 770 CA TYR A 55 -2.729 5.511 -8.699 1.00 0.82 C ATOM 771 C TYR A 55 -4.073 5.623 -7.972 1.00 0.81 C ATOM 772 O TYR A 55 -4.199 5.261 -6.820 1.00 1.06 O ATOM 773 CB TYR A 55 -2.570 4.097 -9.263 1.00 0.83 C ATOM 774 CG TYR A 55 -3.779 3.752 -10.097 1.00 0.97 C ATOM 775 CD1 TYR A 55 -4.077 4.502 -11.241 1.00 1.59 C ATOM 776 CD2 TYR A 55 -4.608 2.686 -9.724 1.00 1.54 C ATOM 777 CE1 TYR A 55 -5.203 4.189 -12.010 1.00 1.70 C ATOM 778 CE2 TYR A 55 -5.734 2.370 -10.496 1.00 1.71 C ATOM 779 CZ TYR A 55 -6.031 3.123 -11.638 1.00 1.37 C ATOM 780 OH TYR A 55 -7.142 2.817 -12.395 1.00 1.61 O ATOM 0 H TYR A 55 -1.911 6.039 -6.799 1.00 0.78 H new ATOM 0 HA TYR A 55 -2.698 6.231 -9.517 1.00 0.82 H new ATOM 0 HB2 TYR A 55 -1.666 4.035 -9.869 1.00 0.83 H new ATOM 0 HB3 TYR A 55 -2.458 3.380 -8.450 1.00 0.83 H new ATOM 0 HD1 TYR A 55 -3.437 5.323 -11.530 1.00 1.59 H new ATOM 0 HD2 TYR A 55 -4.379 2.108 -8.841 1.00 1.54 H new ATOM 0 HE1 TYR A 55 -5.434 4.770 -12.891 1.00 1.70 H new ATOM 0 HE2 TYR A 55 -6.372 1.547 -10.210 1.00 1.71 H new ATOM 0 HH TYR A 55 -7.343 3.564 -12.997 1.00 1.61 H new ATOM 790 N ASN A 56 -5.077 6.123 -8.639 1.00 0.93 N ATOM 791 CA ASN A 56 -6.412 6.260 -7.996 1.00 1.01 C ATOM 792 C ASN A 56 -7.393 5.278 -8.640 1.00 1.28 C ATOM 793 O ASN A 56 -7.002 4.358 -9.330 1.00 2.04 O ATOM 794 CB ASN A 56 -6.918 7.690 -8.193 1.00 1.81 C ATOM 795 CG ASN A 56 -6.459 8.563 -7.023 1.00 2.22 C ATOM 796 OD1 ASN A 56 -7.238 9.307 -6.464 1.00 2.78 O ATOM 797 ND2 ASN A 56 -5.217 8.503 -6.629 1.00 2.47 N ATOM 0 H ASN A 56 -5.028 6.444 -9.606 1.00 0.93 H new ATOM 0 HA ASN A 56 -6.331 6.042 -6.931 1.00 1.01 H new ATOM 0 HB2 ASN A 56 -6.540 8.094 -9.132 1.00 1.81 H new ATOM 0 HB3 ASN A 56 -8.006 7.696 -8.259 1.00 1.81 H new ATOM 0 HD21 ASN A 56 -4.900 9.081 -5.851 1.00 2.47 H new ATOM 0 HD22 ASN A 56 -4.563 7.878 -7.099 1.00 2.47 H new ATOM 804 N GLY A 57 -8.665 5.466 -8.420 1.00 1.18 N ATOM 805 CA GLY A 57 -9.669 4.543 -9.021 1.00 1.77 C ATOM 806 C GLY A 57 -9.805 3.294 -8.147 1.00 1.64 C ATOM 807 O GLY A 57 -9.328 2.231 -8.491 1.00 2.48 O ATOM 0 H GLY A 57 -9.053 6.218 -7.850 1.00 1.18 H new ATOM 0 HA2 GLY A 57 -10.633 5.045 -9.109 1.00 1.77 H new ATOM 0 HA3 GLY A 57 -9.363 4.263 -10.029 1.00 1.77 H new ATOM 811 N VAL A 58 -10.452 3.414 -7.021 1.00 1.34 N ATOM 812 CA VAL A 58 -10.616 2.233 -6.128 1.00 1.99 C ATOM 813 C VAL A 58 -11.766 2.487 -5.150 1.00 1.78 C ATOM 814 O VAL A 58 -11.553 2.800 -3.996 1.00 1.95 O ATOM 815 CB VAL A 58 -9.323 2.002 -5.344 1.00 2.93 C ATOM 816 CG1 VAL A 58 -9.573 0.976 -4.237 1.00 3.79 C ATOM 817 CG2 VAL A 58 -8.242 1.477 -6.291 1.00 2.88 C ATOM 0 H VAL A 58 -10.874 4.278 -6.681 1.00 1.34 H new ATOM 0 HA VAL A 58 -10.839 1.352 -6.730 1.00 1.99 H new ATOM 0 HB VAL A 58 -8.994 2.941 -4.900 1.00 2.93 H new ATOM 0 HG11 VAL A 58 -8.652 0.812 -3.678 1.00 3.79 H new ATOM 0 HG12 VAL A 58 -10.344 1.349 -3.563 1.00 3.79 H new ATOM 0 HG13 VAL A 58 -9.902 0.036 -4.680 1.00 3.79 H new ATOM 0 HG21 VAL A 58 -7.320 1.312 -5.734 1.00 2.88 H new ATOM 0 HG22 VAL A 58 -8.572 0.537 -6.734 1.00 2.88 H new ATOM 0 HG23 VAL A 58 -8.064 2.207 -7.080 1.00 2.88 H new ATOM 827 N PRO A 59 -12.978 2.352 -5.616 1.00 1.85 N ATOM 828 CA PRO A 59 -14.193 2.565 -4.780 1.00 1.84 C ATOM 829 C PRO A 59 -14.110 1.825 -3.443 1.00 1.90 C ATOM 830 O PRO A 59 -13.401 0.849 -3.308 1.00 2.05 O ATOM 831 CB PRO A 59 -15.329 2.001 -5.636 1.00 2.07 C ATOM 832 CG PRO A 59 -14.844 2.082 -7.046 1.00 2.39 C ATOM 833 CD PRO A 59 -13.319 1.977 -6.998 1.00 2.40 C ATOM 0 HA PRO A 59 -14.327 3.615 -4.520 1.00 1.84 H new ATOM 0 HB2 PRO A 59 -15.556 0.972 -5.358 1.00 2.07 H new ATOM 0 HB3 PRO A 59 -16.245 2.577 -5.502 1.00 2.07 H new ATOM 0 HG2 PRO A 59 -15.268 1.277 -7.647 1.00 2.39 H new ATOM 0 HG3 PRO A 59 -15.152 3.020 -7.507 1.00 2.39 H new ATOM 0 HD2 PRO A 59 -12.981 0.968 -7.232 1.00 2.40 H new ATOM 0 HD3 PRO A 59 -12.850 2.646 -7.720 1.00 2.40 H new ATOM 841 N VAL A 60 -14.829 2.281 -2.455 1.00 2.10 N ATOM 842 CA VAL A 60 -14.786 1.600 -1.130 1.00 2.46 C ATOM 843 C VAL A 60 -16.206 1.464 -0.576 1.00 2.53 C ATOM 844 O VAL A 60 -16.862 2.440 -0.269 1.00 2.50 O ATOM 845 CB VAL A 60 -13.938 2.426 -0.160 1.00 2.79 C ATOM 846 CG1 VAL A 60 -13.264 1.494 0.849 1.00 3.08 C ATOM 847 CG2 VAL A 60 -12.867 3.187 -0.943 1.00 2.93 C ATOM 0 H VAL A 60 -15.443 3.094 -2.507 1.00 2.10 H new ATOM 0 HA VAL A 60 -14.347 0.609 -1.247 1.00 2.46 H new ATOM 0 HB VAL A 60 -14.576 3.134 0.369 1.00 2.79 H new ATOM 0 HG11 VAL A 60 -12.660 2.082 1.540 1.00 3.08 H new ATOM 0 HG12 VAL A 60 -14.026 0.949 1.406 1.00 3.08 H new ATOM 0 HG13 VAL A 60 -12.625 0.786 0.320 1.00 3.08 H new ATOM 0 HG21 VAL A 60 -12.262 3.776 -0.254 1.00 2.93 H new ATOM 0 HG22 VAL A 60 -12.229 2.478 -1.471 1.00 2.93 H new ATOM 0 HG23 VAL A 60 -13.345 3.850 -1.663 1.00 2.93 H new ATOM 857 N GLY A 61 -16.684 0.257 -0.442 1.00 2.83 N ATOM 858 CA GLY A 61 -18.059 0.052 0.096 1.00 3.05 C ATOM 859 C GLY A 61 -18.052 -1.137 1.059 1.00 2.72 C ATOM 860 O GLY A 61 -18.037 -2.280 0.647 1.00 2.61 O ATOM 0 H GLY A 61 -16.181 -0.597 -0.682 1.00 2.83 H new ATOM 0 HA2 GLY A 61 -18.398 0.951 0.612 1.00 3.05 H new ATOM 0 HA3 GLY A 61 -18.758 -0.130 -0.720 1.00 3.05 H new ATOM 864 N GLU A 62 -18.050 -0.876 2.338 1.00 3.03 N ATOM 865 CA GLU A 62 -18.033 -1.992 3.326 1.00 2.96 C ATOM 866 C GLU A 62 -18.914 -3.136 2.818 1.00 2.29 C ATOM 867 O GLU A 62 -19.710 -2.965 1.915 1.00 2.02 O ATOM 868 CB GLU A 62 -18.582 -1.497 4.667 1.00 4.03 C ATOM 869 CG GLU A 62 -18.637 -2.658 5.661 1.00 4.32 C ATOM 870 CD GLU A 62 -17.281 -3.368 5.698 1.00 5.32 C ATOM 871 OE1 GLU A 62 -16.999 -4.112 4.773 1.00 6.05 O ATOM 872 OE2 GLU A 62 -16.550 -3.158 6.651 1.00 5.54 O ATOM 0 H GLU A 62 -18.059 0.061 2.741 1.00 3.03 H new ATOM 0 HA GLU A 62 -17.009 -2.343 3.455 1.00 2.96 H new ATOM 0 HB2 GLU A 62 -17.949 -0.700 5.058 1.00 4.03 H new ATOM 0 HB3 GLU A 62 -19.578 -1.075 4.530 1.00 4.03 H new ATOM 0 HG2 GLU A 62 -18.892 -2.288 6.654 1.00 4.32 H new ATOM 0 HG3 GLU A 62 -19.419 -3.360 5.372 1.00 4.32 H new ATOM 879 N GLY A 63 -18.786 -4.301 3.391 1.00 2.54 N ATOM 880 CA GLY A 63 -19.622 -5.449 2.941 1.00 2.46 C ATOM 881 C GLY A 63 -18.779 -6.390 2.079 1.00 2.21 C ATOM 882 O GLY A 63 -18.658 -7.566 2.362 1.00 2.29 O ATOM 0 H GLY A 63 -18.138 -4.507 4.152 1.00 2.54 H new ATOM 0 HA2 GLY A 63 -20.016 -5.985 3.804 1.00 2.46 H new ATOM 0 HA3 GLY A 63 -20.478 -5.087 2.372 1.00 2.46 H new ATOM 886 N GLU A 64 -18.195 -5.882 1.029 1.00 2.23 N ATOM 887 CA GLU A 64 -17.359 -6.746 0.151 1.00 2.27 C ATOM 888 C GLU A 64 -15.883 -6.541 0.496 1.00 2.19 C ATOM 889 O GLU A 64 -15.451 -5.443 0.784 1.00 2.81 O ATOM 890 CB GLU A 64 -17.600 -6.365 -1.311 1.00 2.70 C ATOM 891 CG GLU A 64 -18.749 -7.202 -1.875 1.00 3.18 C ATOM 892 CD GLU A 64 -18.186 -8.445 -2.566 1.00 3.59 C ATOM 893 OE1 GLU A 64 -17.110 -8.346 -3.134 1.00 3.92 O ATOM 894 OE2 GLU A 64 -18.839 -9.474 -2.518 1.00 4.03 O ATOM 0 H GLU A 64 -18.261 -4.906 0.742 1.00 2.23 H new ATOM 0 HA GLU A 64 -17.626 -7.792 0.303 1.00 2.27 H new ATOM 0 HB2 GLU A 64 -17.838 -5.304 -1.387 1.00 2.70 H new ATOM 0 HB3 GLU A 64 -16.695 -6.531 -1.895 1.00 2.70 H new ATOM 0 HG2 GLU A 64 -19.427 -7.495 -1.073 1.00 3.18 H new ATOM 0 HG3 GLU A 64 -19.329 -6.611 -2.583 1.00 3.18 H new ATOM 901 N SER A 65 -15.106 -7.589 0.472 1.00 1.71 N ATOM 902 CA SER A 65 -13.661 -7.448 0.802 1.00 1.83 C ATOM 903 C SER A 65 -12.844 -7.397 -0.489 1.00 1.49 C ATOM 904 O SER A 65 -12.868 -8.312 -1.288 1.00 1.87 O ATOM 905 CB SER A 65 -13.210 -8.643 1.643 1.00 2.37 C ATOM 906 OG SER A 65 -13.901 -8.631 2.885 1.00 2.91 O ATOM 0 H SER A 65 -15.409 -8.535 0.239 1.00 1.71 H new ATOM 0 HA SER A 65 -13.507 -6.528 1.366 1.00 1.83 H new ATOM 0 HB2 SER A 65 -13.411 -9.573 1.111 1.00 2.37 H new ATOM 0 HB3 SER A 65 -12.134 -8.598 1.812 1.00 2.37 H new ATOM 0 HG SER A 65 -13.615 -9.397 3.426 1.00 2.91 H new ATOM 912 N TYR A 66 -12.121 -6.332 -0.701 1.00 1.14 N ATOM 913 CA TYR A 66 -11.304 -6.218 -1.938 1.00 1.22 C ATOM 914 C TYR A 66 -9.952 -6.897 -1.721 1.00 1.63 C ATOM 915 O TYR A 66 -9.636 -7.340 -0.633 1.00 2.01 O ATOM 916 CB TYR A 66 -11.085 -4.740 -2.258 1.00 1.29 C ATOM 917 CG TYR A 66 -12.382 -4.127 -2.728 1.00 1.20 C ATOM 918 CD1 TYR A 66 -12.783 -4.274 -4.062 1.00 1.79 C ATOM 919 CD2 TYR A 66 -13.183 -3.411 -1.831 1.00 1.47 C ATOM 920 CE1 TYR A 66 -13.986 -3.705 -4.498 1.00 1.98 C ATOM 921 CE2 TYR A 66 -14.386 -2.841 -2.267 1.00 1.86 C ATOM 922 CZ TYR A 66 -14.787 -2.989 -3.600 1.00 1.87 C ATOM 923 OH TYR A 66 -15.973 -2.428 -4.030 1.00 2.38 O ATOM 0 H TYR A 66 -12.062 -5.534 -0.068 1.00 1.14 H new ATOM 0 HA TYR A 66 -11.822 -6.701 -2.766 1.00 1.22 H new ATOM 0 HB2 TYR A 66 -10.722 -4.216 -1.374 1.00 1.29 H new ATOM 0 HB3 TYR A 66 -10.321 -4.633 -3.028 1.00 1.29 H new ATOM 0 HD1 TYR A 66 -12.165 -4.826 -4.754 1.00 1.79 H new ATOM 0 HD2 TYR A 66 -12.874 -3.298 -0.802 1.00 1.47 H new ATOM 0 HE1 TYR A 66 -14.296 -3.818 -5.526 1.00 1.98 H new ATOM 0 HE2 TYR A 66 -15.004 -2.288 -1.575 1.00 1.86 H new ATOM 0 HH TYR A 66 -16.407 -1.967 -3.282 1.00 2.38 H new ATOM 933 N VAL A 67 -9.151 -6.980 -2.749 1.00 1.69 N ATOM 934 CA VAL A 67 -7.816 -7.629 -2.610 1.00 2.07 C ATOM 935 C VAL A 67 -6.873 -7.083 -3.685 1.00 2.20 C ATOM 936 O VAL A 67 -7.223 -6.999 -4.846 1.00 2.22 O ATOM 937 CB VAL A 67 -7.959 -9.142 -2.787 1.00 2.37 C ATOM 938 CG1 VAL A 67 -7.064 -9.863 -1.778 1.00 2.61 C ATOM 939 CG2 VAL A 67 -9.416 -9.552 -2.559 1.00 2.54 C ATOM 0 H VAL A 67 -9.364 -6.625 -3.681 1.00 1.69 H new ATOM 0 HA VAL A 67 -7.411 -7.415 -1.621 1.00 2.07 H new ATOM 0 HB VAL A 67 -7.660 -9.415 -3.799 1.00 2.37 H new ATOM 0 HG11 VAL A 67 -7.167 -10.941 -1.905 1.00 2.61 H new ATOM 0 HG12 VAL A 67 -6.025 -9.576 -1.942 1.00 2.61 H new ATOM 0 HG13 VAL A 67 -7.361 -9.587 -0.766 1.00 2.61 H new ATOM 0 HG21 VAL A 67 -9.515 -10.630 -2.686 1.00 2.54 H new ATOM 0 HG22 VAL A 67 -9.718 -9.276 -1.549 1.00 2.54 H new ATOM 0 HG23 VAL A 67 -10.055 -9.042 -3.280 1.00 2.54 H new ATOM 949 N LEU A 68 -5.679 -6.711 -3.311 1.00 2.36 N ATOM 950 CA LEU A 68 -4.719 -6.174 -4.318 1.00 2.59 C ATOM 951 C LEU A 68 -3.539 -7.136 -4.462 1.00 2.17 C ATOM 952 O LEU A 68 -2.941 -7.551 -3.489 1.00 2.07 O ATOM 953 CB LEU A 68 -4.205 -4.808 -3.858 1.00 3.01 C ATOM 954 CG LEU A 68 -3.304 -4.208 -4.939 1.00 3.40 C ATOM 955 CD1 LEU A 68 -3.749 -2.777 -5.241 1.00 3.46 C ATOM 956 CD2 LEU A 68 -1.854 -4.196 -4.449 1.00 3.61 C ATOM 0 H LEU A 68 -5.327 -6.755 -2.355 1.00 2.36 H new ATOM 0 HA LEU A 68 -5.224 -6.069 -5.278 1.00 2.59 H new ATOM 0 HB2 LEU A 68 -5.044 -4.141 -3.658 1.00 3.01 H new ATOM 0 HB3 LEU A 68 -3.651 -4.912 -2.925 1.00 3.01 H new ATOM 0 HG LEU A 68 -3.377 -4.810 -5.844 1.00 3.40 H new ATOM 0 HD11 LEU A 68 -3.106 -2.351 -6.011 1.00 3.46 H new ATOM 0 HD12 LEU A 68 -4.781 -2.783 -5.592 1.00 3.46 H new ATOM 0 HD13 LEU A 68 -3.678 -2.175 -4.335 1.00 3.46 H new ATOM 0 HD21 LEU A 68 -1.213 -3.768 -5.220 1.00 3.61 H new ATOM 0 HD22 LEU A 68 -1.781 -3.595 -3.542 1.00 3.61 H new ATOM 0 HD23 LEU A 68 -1.534 -5.216 -4.235 1.00 3.61 H new ATOM 968 N SER A 69 -3.193 -7.490 -5.671 1.00 1.98 N ATOM 969 CA SER A 69 -2.046 -8.419 -5.879 1.00 1.66 C ATOM 970 C SER A 69 -0.969 -7.696 -6.687 1.00 1.53 C ATOM 971 O SER A 69 -1.020 -7.648 -7.900 1.00 1.60 O ATOM 972 CB SER A 69 -2.521 -9.656 -6.643 1.00 1.82 C ATOM 973 OG SER A 69 -3.499 -9.271 -7.600 1.00 2.27 O ATOM 0 H SER A 69 -3.656 -7.175 -6.524 1.00 1.98 H new ATOM 0 HA SER A 69 -1.640 -8.730 -4.917 1.00 1.66 H new ATOM 0 HB2 SER A 69 -1.678 -10.136 -7.140 1.00 1.82 H new ATOM 0 HB3 SER A 69 -2.941 -10.386 -5.951 1.00 1.82 H new ATOM 0 HG SER A 69 -3.145 -8.547 -8.157 1.00 2.27 H new ATOM 979 N PHE A 70 -0.003 -7.113 -6.030 1.00 1.38 N ATOM 980 CA PHE A 70 1.050 -6.382 -6.787 1.00 1.30 C ATOM 981 C PHE A 70 2.249 -7.286 -7.074 1.00 1.23 C ATOM 982 O PHE A 70 2.723 -8.001 -6.214 1.00 1.40 O ATOM 983 CB PHE A 70 1.496 -5.131 -6.022 1.00 1.34 C ATOM 984 CG PHE A 70 2.147 -5.507 -4.713 1.00 1.31 C ATOM 985 CD1 PHE A 70 3.424 -6.081 -4.700 1.00 1.23 C ATOM 986 CD2 PHE A 70 1.477 -5.262 -3.509 1.00 1.96 C ATOM 987 CE1 PHE A 70 4.030 -6.410 -3.481 1.00 1.35 C ATOM 988 CE2 PHE A 70 2.082 -5.593 -2.292 1.00 2.01 C ATOM 989 CZ PHE A 70 3.358 -6.166 -2.278 1.00 1.48 C ATOM 0 H PHE A 70 0.102 -7.111 -5.015 1.00 1.38 H new ATOM 0 HA PHE A 70 0.622 -6.072 -7.741 1.00 1.30 H new ATOM 0 HB2 PHE A 70 2.196 -4.558 -6.630 1.00 1.34 H new ATOM 0 HB3 PHE A 70 0.636 -4.488 -5.834 1.00 1.34 H new ATOM 0 HD1 PHE A 70 3.941 -6.270 -5.629 1.00 1.23 H new ATOM 0 HD2 PHE A 70 0.493 -4.817 -3.519 1.00 1.96 H new ATOM 0 HE1 PHE A 70 5.015 -6.852 -3.469 1.00 1.35 H new ATOM 0 HE2 PHE A 70 1.564 -5.406 -1.363 1.00 2.01 H new ATOM 0 HZ PHE A 70 3.825 -6.420 -1.338 1.00 1.48 H new ATOM 999 N THR A 71 2.747 -7.242 -8.280 1.00 1.13 N ATOM 1000 CA THR A 71 3.924 -8.073 -8.649 1.00 1.16 C ATOM 1001 C THR A 71 5.195 -7.267 -8.372 1.00 1.11 C ATOM 1002 O THR A 71 5.484 -6.310 -9.061 1.00 1.39 O ATOM 1003 CB THR A 71 3.856 -8.391 -10.144 1.00 1.26 C ATOM 1004 OG1 THR A 71 3.590 -7.195 -10.862 1.00 1.15 O ATOM 1005 CG2 THR A 71 2.746 -9.406 -10.419 1.00 1.80 C ATOM 0 H THR A 71 2.383 -6.658 -9.033 1.00 1.13 H new ATOM 0 HA THR A 71 3.930 -8.998 -8.072 1.00 1.16 H new ATOM 0 HB THR A 71 4.808 -8.814 -10.464 1.00 1.26 H new ATOM 0 HG1 THR A 71 3.792 -6.421 -10.295 1.00 1.15 H new ATOM 0 HG21 THR A 71 2.708 -9.624 -11.486 1.00 1.80 H new ATOM 0 HG22 THR A 71 2.948 -10.325 -9.868 1.00 1.80 H new ATOM 0 HG23 THR A 71 1.789 -8.994 -10.099 1.00 1.80 H new ATOM 1013 N ALA A 72 5.957 -7.627 -7.375 1.00 0.96 N ATOM 1014 CA ALA A 72 7.191 -6.839 -7.099 1.00 0.87 C ATOM 1015 C ALA A 72 8.192 -7.663 -6.288 1.00 0.81 C ATOM 1016 O ALA A 72 7.865 -8.689 -5.726 1.00 0.85 O ATOM 1017 CB ALA A 72 6.821 -5.579 -6.315 1.00 0.81 C ATOM 0 H ALA A 72 5.784 -8.416 -6.752 1.00 0.96 H new ATOM 0 HA ALA A 72 7.651 -6.569 -8.049 1.00 0.87 H new ATOM 0 HB1 ALA A 72 7.722 -5.000 -6.111 1.00 0.81 H new ATOM 0 HB2 ALA A 72 6.127 -4.977 -6.901 1.00 0.81 H new ATOM 0 HB3 ALA A 72 6.350 -5.862 -5.373 1.00 0.81 H new ATOM 1023 N SER A 73 9.413 -7.204 -6.221 1.00 0.75 N ATOM 1024 CA SER A 73 10.454 -7.935 -5.447 1.00 0.72 C ATOM 1025 C SER A 73 11.150 -6.953 -4.501 1.00 0.64 C ATOM 1026 O SER A 73 11.056 -5.752 -4.659 1.00 0.84 O ATOM 1027 CB SER A 73 11.481 -8.535 -6.408 1.00 0.82 C ATOM 1028 OG SER A 73 12.474 -7.562 -6.702 1.00 0.93 O ATOM 0 H SER A 73 9.735 -6.348 -6.673 1.00 0.75 H new ATOM 0 HA SER A 73 9.991 -8.737 -4.872 1.00 0.72 H new ATOM 0 HB2 SER A 73 11.941 -9.417 -5.963 1.00 0.82 H new ATOM 0 HB3 SER A 73 10.991 -8.860 -7.326 1.00 0.82 H new ATOM 0 HG SER A 73 12.827 -7.717 -7.603 1.00 0.93 H new ATOM 1034 N ALA A 74 11.844 -7.453 -3.515 1.00 0.66 N ATOM 1035 CA ALA A 74 12.537 -6.547 -2.555 1.00 0.59 C ATOM 1036 C ALA A 74 14.027 -6.894 -2.506 1.00 0.61 C ATOM 1037 O ALA A 74 14.403 -7.996 -2.162 1.00 0.67 O ATOM 1038 CB ALA A 74 11.923 -6.731 -1.166 1.00 0.59 C ATOM 0 H ALA A 74 11.961 -8.450 -3.333 1.00 0.66 H new ATOM 0 HA ALA A 74 12.421 -5.512 -2.876 1.00 0.59 H new ATOM 0 HB1 ALA A 74 12.424 -6.072 -0.457 1.00 0.59 H new ATOM 0 HB2 ALA A 74 10.862 -6.486 -1.202 1.00 0.59 H new ATOM 0 HB3 ALA A 74 12.046 -7.766 -0.848 1.00 0.59 H new ATOM 1044 N THR A 75 14.882 -5.967 -2.852 1.00 0.62 N ATOM 1045 CA THR A 75 16.341 -6.256 -2.828 1.00 0.72 C ATOM 1046 C THR A 75 17.091 -5.129 -2.101 1.00 0.72 C ATOM 1047 O THR A 75 17.099 -4.005 -2.560 1.00 0.74 O ATOM 1048 CB THR A 75 16.843 -6.340 -4.269 1.00 0.85 C ATOM 1049 OG1 THR A 75 16.042 -5.504 -5.093 1.00 0.86 O ATOM 1050 CG2 THR A 75 16.755 -7.783 -4.766 1.00 0.97 C ATOM 0 H THR A 75 14.630 -5.024 -3.149 1.00 0.62 H new ATOM 0 HA THR A 75 16.518 -7.196 -2.305 1.00 0.72 H new ATOM 0 HB THR A 75 17.881 -6.011 -4.311 1.00 0.85 H new ATOM 0 HG1 THR A 75 16.362 -5.553 -6.018 1.00 0.86 H new ATOM 0 HG21 THR A 75 17.114 -7.836 -5.794 1.00 0.97 H new ATOM 0 HG22 THR A 75 17.369 -8.424 -4.133 1.00 0.97 H new ATOM 0 HG23 THR A 75 15.719 -8.119 -4.726 1.00 0.97 H new ATOM 1058 N PRO A 76 17.735 -5.412 -0.990 1.00 0.77 N ATOM 1059 CA PRO A 76 17.774 -6.770 -0.362 1.00 0.83 C ATOM 1060 C PRO A 76 16.397 -7.211 0.139 1.00 0.73 C ATOM 1061 O PRO A 76 15.385 -6.945 -0.474 1.00 0.68 O ATOM 1062 CB PRO A 76 18.735 -6.608 0.826 1.00 0.97 C ATOM 1063 CG PRO A 76 19.464 -5.326 0.593 1.00 1.02 C ATOM 1064 CD PRO A 76 18.520 -4.441 -0.213 1.00 0.85 C ATOM 0 HA PRO A 76 18.089 -7.530 -1.077 1.00 0.83 H new ATOM 0 HB2 PRO A 76 18.189 -6.581 1.769 1.00 0.97 H new ATOM 0 HB3 PRO A 76 19.429 -7.447 0.884 1.00 0.97 H new ATOM 0 HG2 PRO A 76 19.730 -4.852 1.538 1.00 1.02 H new ATOM 0 HG3 PRO A 76 20.393 -5.500 0.050 1.00 1.02 H new ATOM 0 HD2 PRO A 76 17.885 -3.835 0.433 1.00 0.85 H new ATOM 0 HD3 PRO A 76 19.065 -3.754 -0.860 1.00 0.85 H new ATOM 1072 N ASP A 77 16.353 -7.875 1.258 1.00 0.81 N ATOM 1073 CA ASP A 77 15.042 -8.325 1.807 1.00 0.76 C ATOM 1074 C ASP A 77 14.574 -7.331 2.870 1.00 0.72 C ATOM 1075 O ASP A 77 15.372 -6.713 3.546 1.00 0.78 O ATOM 1076 CB ASP A 77 15.196 -9.710 2.439 1.00 0.91 C ATOM 1077 CG ASP A 77 16.306 -10.481 1.721 1.00 1.09 C ATOM 1078 OD1 ASP A 77 17.461 -10.156 1.939 1.00 1.30 O ATOM 1079 OD2 ASP A 77 15.981 -11.383 0.967 1.00 1.75 O ATOM 0 H ASP A 77 17.168 -8.127 1.818 1.00 0.81 H new ATOM 0 HA ASP A 77 14.309 -8.376 1.002 1.00 0.76 H new ATOM 0 HB2 ASP A 77 15.433 -9.613 3.498 1.00 0.91 H new ATOM 0 HB3 ASP A 77 14.256 -10.258 2.372 1.00 0.91 H new ATOM 1084 N MET A 78 13.288 -7.169 3.025 1.00 0.75 N ATOM 1085 CA MET A 78 12.780 -6.209 4.045 1.00 0.87 C ATOM 1086 C MET A 78 11.296 -5.921 3.793 1.00 0.89 C ATOM 1087 O MET A 78 10.792 -6.125 2.704 1.00 0.93 O ATOM 1088 CB MET A 78 13.571 -4.902 3.943 1.00 1.01 C ATOM 1089 CG MET A 78 13.965 -4.651 2.485 1.00 1.19 C ATOM 1090 SD MET A 78 13.718 -2.902 2.089 1.00 1.83 S ATOM 1091 CE MET A 78 14.994 -2.238 3.187 1.00 2.16 C ATOM 0 H MET A 78 12.570 -7.658 2.491 1.00 0.75 H new ATOM 0 HA MET A 78 12.900 -6.640 5.039 1.00 0.87 H new ATOM 0 HB2 MET A 78 12.971 -4.072 4.316 1.00 1.01 H new ATOM 0 HB3 MET A 78 14.463 -4.956 4.567 1.00 1.01 H new ATOM 0 HG2 MET A 78 15.007 -4.928 2.325 1.00 1.19 H new ATOM 0 HG3 MET A 78 13.365 -5.274 1.822 1.00 1.19 H new ATOM 0 HE1 MET A 78 15.191 -1.198 2.928 1.00 2.16 H new ATOM 0 HE2 MET A 78 14.651 -2.296 4.220 1.00 2.16 H new ATOM 0 HE3 MET A 78 15.909 -2.820 3.075 1.00 2.16 H new ATOM 1101 N PRO A 79 10.601 -5.441 4.793 1.00 0.96 N ATOM 1102 CA PRO A 79 9.155 -5.102 4.679 1.00 1.04 C ATOM 1103 C PRO A 79 8.936 -3.730 4.039 1.00 1.13 C ATOM 1104 O PRO A 79 9.374 -2.718 4.551 1.00 1.28 O ATOM 1105 CB PRO A 79 8.681 -5.095 6.131 1.00 1.12 C ATOM 1106 CG PRO A 79 9.880 -4.702 6.930 1.00 1.38 C ATOM 1107 CD PRO A 79 11.111 -5.177 6.151 1.00 1.11 C ATOM 0 HA PRO A 79 8.616 -5.805 4.044 1.00 1.04 H new ATOM 0 HB2 PRO A 79 7.863 -4.389 6.275 1.00 1.12 H new ATOM 0 HB3 PRO A 79 8.312 -6.076 6.430 1.00 1.12 H new ATOM 0 HG2 PRO A 79 9.909 -3.622 7.077 1.00 1.38 H new ATOM 0 HG3 PRO A 79 9.850 -5.157 7.920 1.00 1.38 H new ATOM 0 HD2 PRO A 79 11.894 -4.418 6.142 1.00 1.11 H new ATOM 0 HD3 PRO A 79 11.542 -6.074 6.596 1.00 1.11 H new ATOM 1115 N VAL A 80 8.262 -3.684 2.923 1.00 1.13 N ATOM 1116 CA VAL A 80 8.019 -2.376 2.254 1.00 1.31 C ATOM 1117 C VAL A 80 6.748 -1.742 2.822 1.00 1.45 C ATOM 1118 O VAL A 80 5.997 -2.371 3.540 1.00 1.98 O ATOM 1119 CB VAL A 80 7.854 -2.594 0.748 1.00 1.56 C ATOM 1120 CG1 VAL A 80 8.762 -3.740 0.296 1.00 2.01 C ATOM 1121 CG2 VAL A 80 6.399 -2.947 0.437 1.00 1.79 C ATOM 0 H VAL A 80 7.869 -4.496 2.446 1.00 1.13 H new ATOM 0 HA VAL A 80 8.866 -1.714 2.432 1.00 1.31 H new ATOM 0 HB VAL A 80 8.127 -1.681 0.219 1.00 1.56 H new ATOM 0 HG11 VAL A 80 8.645 -3.896 -0.776 1.00 2.01 H new ATOM 0 HG12 VAL A 80 9.800 -3.490 0.515 1.00 2.01 H new ATOM 0 HG13 VAL A 80 8.489 -4.652 0.827 1.00 2.01 H new ATOM 0 HG21 VAL A 80 6.283 -3.102 -0.636 1.00 1.79 H new ATOM 0 HG22 VAL A 80 6.125 -3.859 0.967 1.00 1.79 H new ATOM 0 HG23 VAL A 80 5.750 -2.132 0.758 1.00 1.79 H new ATOM 1131 N ARG A 81 6.499 -0.501 2.504 1.00 1.48 N ATOM 1132 CA ARG A 81 5.276 0.171 3.024 1.00 1.84 C ATOM 1133 C ARG A 81 4.292 0.391 1.874 1.00 2.04 C ATOM 1134 O ARG A 81 4.674 0.745 0.776 1.00 2.57 O ATOM 1135 CB ARG A 81 5.657 1.521 3.637 1.00 2.24 C ATOM 1136 CG ARG A 81 4.410 2.185 4.226 1.00 2.95 C ATOM 1137 CD ARG A 81 4.655 3.687 4.374 1.00 4.04 C ATOM 1138 NE ARG A 81 4.273 4.130 5.748 1.00 4.81 N ATOM 1139 CZ ARG A 81 3.174 3.698 6.306 1.00 5.14 C ATOM 1140 NH1 ARG A 81 2.352 2.934 5.641 1.00 4.94 N ATOM 1141 NH2 ARG A 81 2.885 4.054 7.529 1.00 6.01 N ATOM 0 H ARG A 81 7.090 0.076 1.906 1.00 1.48 H new ATOM 0 HA ARG A 81 4.812 -0.454 3.787 1.00 1.84 H new ATOM 0 HB2 ARG A 81 6.408 1.380 4.414 1.00 2.24 H new ATOM 0 HB3 ARG A 81 6.100 2.165 2.878 1.00 2.24 H new ATOM 0 HG2 ARG A 81 3.551 2.008 3.579 1.00 2.95 H new ATOM 0 HG3 ARG A 81 4.175 1.747 5.196 1.00 2.95 H new ATOM 0 HD2 ARG A 81 5.705 3.913 4.188 1.00 4.04 H new ATOM 0 HD3 ARG A 81 4.074 4.234 3.631 1.00 4.04 H new ATOM 0 HE ARG A 81 4.877 4.777 6.256 1.00 4.81 H new ATOM 0 HH11 ARG A 81 2.566 2.670 4.679 1.00 4.94 H new ATOM 0 HH12 ARG A 81 1.495 2.600 6.083 1.00 4.94 H new ATOM 0 HH21 ARG A 81 3.517 4.667 8.044 1.00 6.01 H new ATOM 0 HH22 ARG A 81 2.028 3.719 7.969 1.00 6.01 H new ATOM 1155 N VAL A 82 3.028 0.182 2.115 1.00 2.00 N ATOM 1156 CA VAL A 82 2.021 0.373 1.036 1.00 2.41 C ATOM 1157 C VAL A 82 0.761 1.015 1.620 1.00 1.99 C ATOM 1158 O VAL A 82 0.410 0.792 2.761 1.00 1.85 O ATOM 1159 CB VAL A 82 1.668 -0.984 0.428 1.00 3.05 C ATOM 1160 CG1 VAL A 82 1.616 -2.041 1.532 1.00 3.76 C ATOM 1161 CG2 VAL A 82 0.303 -0.899 -0.257 1.00 3.57 C ATOM 0 H VAL A 82 2.649 -0.113 3.015 1.00 2.00 H new ATOM 0 HA VAL A 82 2.433 1.023 0.264 1.00 2.41 H new ATOM 0 HB VAL A 82 2.426 -1.259 -0.305 1.00 3.05 H new ATOM 0 HG11 VAL A 82 1.364 -3.009 1.098 1.00 3.76 H new ATOM 0 HG12 VAL A 82 2.588 -2.105 2.021 1.00 3.76 H new ATOM 0 HG13 VAL A 82 0.859 -1.764 2.265 1.00 3.76 H new ATOM 0 HG21 VAL A 82 0.052 -1.867 -0.690 1.00 3.57 H new ATOM 0 HG22 VAL A 82 -0.455 -0.622 0.476 1.00 3.57 H new ATOM 0 HG23 VAL A 82 0.338 -0.147 -1.045 1.00 3.57 H new ATOM 1171 N LEU A 83 0.076 1.807 0.843 1.00 2.02 N ATOM 1172 CA LEU A 83 -1.164 2.458 1.352 1.00 1.82 C ATOM 1173 C LEU A 83 -2.164 2.617 0.206 1.00 1.64 C ATOM 1174 O LEU A 83 -1.790 2.874 -0.921 1.00 1.78 O ATOM 1175 CB LEU A 83 -0.824 3.834 1.930 1.00 2.29 C ATOM 1176 CG LEU A 83 -0.017 4.635 0.907 1.00 1.71 C ATOM 1177 CD1 LEU A 83 -0.577 6.055 0.813 1.00 1.99 C ATOM 1178 CD2 LEU A 83 1.447 4.692 1.348 1.00 1.42 C ATOM 0 H LEU A 83 0.321 2.032 -0.121 1.00 2.02 H new ATOM 0 HA LEU A 83 -1.603 1.838 2.134 1.00 1.82 H new ATOM 0 HB2 LEU A 83 -1.739 4.368 2.185 1.00 2.29 H new ATOM 0 HB3 LEU A 83 -0.253 3.722 2.851 1.00 2.29 H new ATOM 0 HG LEU A 83 -0.086 4.154 -0.068 1.00 1.71 H new ATOM 0 HD11 LEU A 83 -0.002 6.625 0.084 1.00 1.99 H new ATOM 0 HD12 LEU A 83 -1.620 6.015 0.500 1.00 1.99 H new ATOM 0 HD13 LEU A 83 -0.509 6.538 1.788 1.00 1.99 H new ATOM 0 HD21 LEU A 83 2.024 5.262 0.620 1.00 1.42 H new ATOM 0 HD22 LEU A 83 1.515 5.174 2.323 1.00 1.42 H new ATOM 0 HD23 LEU A 83 1.846 3.680 1.415 1.00 1.42 H new ATOM 1190 N VAL A 84 -3.433 2.469 0.479 1.00 1.54 N ATOM 1191 CA VAL A 84 -4.444 2.613 -0.608 1.00 1.53 C ATOM 1192 C VAL A 84 -5.785 3.068 -0.030 1.00 1.46 C ATOM 1193 O VAL A 84 -6.172 2.684 1.060 1.00 1.51 O ATOM 1194 CB VAL A 84 -4.641 1.269 -1.313 1.00 1.58 C ATOM 1195 CG1 VAL A 84 -5.011 1.512 -2.777 1.00 1.89 C ATOM 1196 CG2 VAL A 84 -3.342 0.463 -1.246 1.00 1.84 C ATOM 0 H VAL A 84 -3.811 2.256 1.402 1.00 1.54 H new ATOM 0 HA VAL A 84 -4.084 3.357 -1.318 1.00 1.53 H new ATOM 0 HB VAL A 84 -5.440 0.715 -0.821 1.00 1.58 H new ATOM 0 HG11 VAL A 84 -5.152 0.555 -3.280 1.00 1.89 H new ATOM 0 HG12 VAL A 84 -5.935 2.088 -2.828 1.00 1.89 H new ATOM 0 HG13 VAL A 84 -4.211 2.066 -3.267 1.00 1.89 H new ATOM 0 HG21 VAL A 84 -3.482 -0.494 -1.748 1.00 1.84 H new ATOM 0 HG22 VAL A 84 -2.544 1.018 -1.739 1.00 1.84 H new ATOM 0 HG23 VAL A 84 -3.074 0.291 -0.204 1.00 1.84 H new ATOM 1206 N GLY A 85 -6.503 3.874 -0.765 1.00 1.45 N ATOM 1207 CA GLY A 85 -7.823 4.353 -0.277 1.00 1.49 C ATOM 1208 C GLY A 85 -8.030 5.813 -0.685 1.00 1.17 C ATOM 1209 O GLY A 85 -8.223 6.121 -1.843 1.00 1.15 O ATOM 0 H GLY A 85 -6.229 4.221 -1.684 1.00 1.45 H new ATOM 0 HA2 GLY A 85 -8.620 3.734 -0.690 1.00 1.49 H new ATOM 0 HA3 GLY A 85 -7.876 4.258 0.808 1.00 1.49 H new ATOM 1213 N GLU A 86 -7.997 6.715 0.258 1.00 1.14 N ATOM 1214 CA GLU A 86 -8.196 8.153 -0.080 1.00 1.19 C ATOM 1215 C GLU A 86 -6.846 8.800 -0.391 1.00 1.21 C ATOM 1216 O GLU A 86 -5.801 8.259 -0.086 1.00 1.63 O ATOM 1217 CB GLU A 86 -8.850 8.872 1.105 1.00 1.44 C ATOM 1218 CG GLU A 86 -7.767 9.380 2.062 1.00 1.42 C ATOM 1219 CD GLU A 86 -6.807 8.237 2.401 1.00 1.91 C ATOM 1220 OE1 GLU A 86 -7.285 7.175 2.760 1.00 2.54 O ATOM 1221 OE2 GLU A 86 -5.609 8.445 2.294 1.00 2.03 O ATOM 0 H GLU A 86 -7.841 6.519 1.247 1.00 1.14 H new ATOM 0 HA GLU A 86 -8.843 8.232 -0.954 1.00 1.19 H new ATOM 0 HB2 GLU A 86 -9.454 9.706 0.748 1.00 1.44 H new ATOM 0 HB3 GLU A 86 -9.522 8.193 1.629 1.00 1.44 H new ATOM 0 HG2 GLU A 86 -7.220 10.204 1.604 1.00 1.42 H new ATOM 0 HG3 GLU A 86 -8.224 9.767 2.973 1.00 1.42 H new ATOM 1228 N GLY A 87 -6.858 9.958 -0.993 1.00 1.18 N ATOM 1229 CA GLY A 87 -5.576 10.642 -1.321 1.00 1.38 C ATOM 1230 C GLY A 87 -5.653 12.109 -0.893 1.00 1.20 C ATOM 1231 O GLY A 87 -4.674 12.697 -0.480 1.00 1.26 O ATOM 0 H GLY A 87 -7.701 10.460 -1.272 1.00 1.18 H new ATOM 0 HA2 GLY A 87 -4.748 10.147 -0.813 1.00 1.38 H new ATOM 0 HA3 GLY A 87 -5.380 10.575 -2.391 1.00 1.38 H new ATOM 1280 N ARG A 92 -9.086 8.830 6.224 1.00 2.28 N ATOM 1281 CA ARG A 92 -8.576 7.476 6.590 1.00 2.12 C ATOM 1282 C ARG A 92 -9.207 6.422 5.679 1.00 1.84 C ATOM 1283 O ARG A 92 -10.320 6.577 5.214 1.00 2.05 O ATOM 1284 CB ARG A 92 -8.939 7.172 8.046 1.00 2.02 C ATOM 1285 CG ARG A 92 -10.399 7.550 8.298 1.00 2.72 C ATOM 1286 CD ARG A 92 -10.804 7.113 9.707 1.00 3.19 C ATOM 1287 NE ARG A 92 -10.020 7.886 10.711 1.00 4.00 N ATOM 1288 CZ ARG A 92 -10.396 7.902 11.962 1.00 4.78 C ATOM 1289 NH1 ARG A 92 -11.459 7.241 12.332 1.00 4.91 N ATOM 1290 NH2 ARG A 92 -9.710 8.580 12.840 1.00 5.74 N ATOM 0 HA ARG A 92 -7.493 7.455 6.470 1.00 2.12 H new ATOM 0 HB2 ARG A 92 -8.785 6.114 8.257 1.00 2.02 H new ATOM 0 HB3 ARG A 92 -8.287 7.729 8.718 1.00 2.02 H new ATOM 0 HG2 ARG A 92 -10.531 8.626 8.188 1.00 2.72 H new ATOM 0 HG3 ARG A 92 -11.042 7.072 7.559 1.00 2.72 H new ATOM 0 HD2 ARG A 92 -11.871 7.278 9.858 1.00 3.19 H new ATOM 0 HD3 ARG A 92 -10.625 6.045 9.834 1.00 3.19 H new ATOM 0 HE ARG A 92 -9.190 8.403 10.421 1.00 4.00 H new ATOM 0 HH11 ARG A 92 -11.996 6.712 11.644 1.00 4.91 H new ATOM 0 HH12 ARG A 92 -11.753 7.253 13.309 1.00 4.91 H new ATOM 0 HH21 ARG A 92 -8.880 9.097 12.550 1.00 5.74 H new ATOM 0 HH22 ARG A 92 -10.003 8.593 13.817 1.00 5.74 H new ATOM 1304 N THR A 93 -8.505 5.357 5.410 1.00 1.67 N ATOM 1305 CA THR A 93 -9.067 4.305 4.517 1.00 1.74 C ATOM 1306 C THR A 93 -8.957 2.936 5.179 1.00 1.95 C ATOM 1307 O THR A 93 -8.968 2.805 6.387 1.00 2.27 O ATOM 1308 CB THR A 93 -8.279 4.268 3.209 1.00 1.70 C ATOM 1309 OG1 THR A 93 -8.649 3.113 2.471 1.00 2.15 O ATOM 1310 CG2 THR A 93 -6.779 4.224 3.512 1.00 1.74 C ATOM 0 H THR A 93 -7.569 5.169 5.769 1.00 1.67 H new ATOM 0 HA THR A 93 -10.114 4.539 4.325 1.00 1.74 H new ATOM 0 HB THR A 93 -8.501 5.161 2.625 1.00 1.70 H new ATOM 0 HG1 THR A 93 -7.876 2.787 1.965 1.00 2.15 H new ATOM 0 HG21 THR A 93 -6.220 4.198 2.577 1.00 1.74 H new ATOM 0 HG22 THR A 93 -6.496 5.111 4.079 1.00 1.74 H new ATOM 0 HG23 THR A 93 -6.552 3.332 4.096 1.00 1.74 H new ATOM 1318 N ALA A 94 -8.842 1.916 4.378 1.00 2.15 N ATOM 1319 CA ALA A 94 -8.722 0.543 4.925 1.00 2.71 C ATOM 1320 C ALA A 94 -7.386 -0.059 4.487 1.00 2.70 C ATOM 1321 O ALA A 94 -6.883 -0.974 5.108 1.00 3.18 O ATOM 1322 CB ALA A 94 -9.870 -0.320 4.396 1.00 3.28 C ATOM 0 H ALA A 94 -8.826 1.978 3.360 1.00 2.15 H new ATOM 0 HA ALA A 94 -8.768 0.577 6.013 1.00 2.71 H new ATOM 0 HB1 ALA A 94 -9.782 -1.329 4.798 1.00 3.28 H new ATOM 0 HB2 ALA A 94 -10.822 0.112 4.705 1.00 3.28 H new ATOM 0 HB3 ALA A 94 -9.825 -0.358 3.308 1.00 3.28 H new ATOM 1328 N PHE A 95 -6.798 0.434 3.426 1.00 2.24 N ATOM 1329 CA PHE A 95 -5.500 -0.146 2.990 1.00 2.32 C ATOM 1330 C PHE A 95 -4.357 0.624 3.651 1.00 1.89 C ATOM 1331 O PHE A 95 -3.361 0.928 3.026 1.00 2.04 O ATOM 1332 CB PHE A 95 -5.373 -0.031 1.475 1.00 2.74 C ATOM 1333 CG PHE A 95 -4.576 -1.197 0.938 1.00 2.97 C ATOM 1334 CD1 PHE A 95 -3.458 -1.672 1.637 1.00 3.34 C ATOM 1335 CD2 PHE A 95 -4.957 -1.804 -0.264 1.00 3.27 C ATOM 1336 CE1 PHE A 95 -2.724 -2.752 1.132 1.00 3.65 C ATOM 1337 CE2 PHE A 95 -4.223 -2.883 -0.769 1.00 3.55 C ATOM 1338 CZ PHE A 95 -3.107 -3.357 -0.071 1.00 3.60 C ATOM 0 H PHE A 95 -7.156 1.199 2.854 1.00 2.24 H new ATOM 0 HA PHE A 95 -5.455 -1.196 3.280 1.00 2.32 H new ATOM 0 HB2 PHE A 95 -6.363 -0.014 1.018 1.00 2.74 H new ATOM 0 HB3 PHE A 95 -4.884 0.907 1.212 1.00 2.74 H new ATOM 0 HD1 PHE A 95 -3.163 -1.205 2.565 1.00 3.34 H new ATOM 0 HD2 PHE A 95 -5.819 -1.439 -0.803 1.00 3.27 H new ATOM 0 HE1 PHE A 95 -1.862 -3.118 1.670 1.00 3.65 H new ATOM 0 HE2 PHE A 95 -4.518 -3.350 -1.697 1.00 3.55 H new ATOM 0 HZ PHE A 95 -2.541 -4.190 -0.460 1.00 3.60 H new ATOM 1348 N GLU A 96 -4.489 0.954 4.905 1.00 1.92 N ATOM 1349 CA GLU A 96 -3.402 1.711 5.584 1.00 2.11 C ATOM 1350 C GLU A 96 -2.408 0.729 6.210 1.00 1.99 C ATOM 1351 O GLU A 96 -1.980 0.897 7.335 1.00 2.04 O ATOM 1352 CB GLU A 96 -4.002 2.598 6.677 1.00 2.46 C ATOM 1353 CG GLU A 96 -3.107 3.820 6.892 1.00 3.05 C ATOM 1354 CD GLU A 96 -3.738 4.737 7.942 1.00 3.87 C ATOM 1355 OE1 GLU A 96 -4.219 4.222 8.937 1.00 4.60 O ATOM 1356 OE2 GLU A 96 -3.730 5.939 7.731 1.00 4.04 O ATOM 0 H GLU A 96 -5.298 0.734 5.486 1.00 1.92 H new ATOM 0 HA GLU A 96 -2.885 2.334 4.855 1.00 2.11 H new ATOM 0 HB2 GLU A 96 -5.006 2.915 6.393 1.00 2.46 H new ATOM 0 HB3 GLU A 96 -4.096 2.035 7.606 1.00 2.46 H new ATOM 0 HG2 GLU A 96 -2.116 3.505 7.218 1.00 3.05 H new ATOM 0 HG3 GLU A 96 -2.978 4.359 5.953 1.00 3.05 H new ATOM 1363 N GLN A 97 -2.039 -0.295 5.491 1.00 2.12 N ATOM 1364 CA GLN A 97 -1.074 -1.286 6.046 1.00 2.35 C ATOM 1365 C GLN A 97 0.288 -1.103 5.372 1.00 2.76 C ATOM 1366 O GLN A 97 0.379 -0.919 4.174 1.00 3.44 O ATOM 1367 CB GLN A 97 -1.587 -2.703 5.781 1.00 2.59 C ATOM 1368 CG GLN A 97 -1.172 -3.143 4.375 1.00 2.67 C ATOM 1369 CD GLN A 97 -2.071 -4.291 3.912 1.00 2.83 C ATOM 1370 OE1 GLN A 97 -3.222 -4.082 3.584 1.00 2.75 O ATOM 1371 NE2 GLN A 97 -1.591 -5.504 3.873 1.00 3.46 N ATOM 0 H GLN A 97 -2.364 -0.488 4.544 1.00 2.12 H new ATOM 0 HA GLN A 97 -0.973 -1.132 7.120 1.00 2.35 H new ATOM 0 HB2 GLN A 97 -1.183 -3.392 6.523 1.00 2.59 H new ATOM 0 HB3 GLN A 97 -2.672 -2.732 5.877 1.00 2.59 H new ATOM 0 HG2 GLN A 97 -1.249 -2.305 3.683 1.00 2.67 H new ATOM 0 HG3 GLN A 97 -0.129 -3.461 4.375 1.00 2.67 H new ATOM 0 HE21 GLN A 97 -0.625 -5.679 4.148 1.00 3.46 H new ATOM 0 HE22 GLN A 97 -2.182 -6.277 3.567 1.00 3.46 H new ATOM 1380 N GLY A 98 1.348 -1.151 6.131 1.00 2.66 N ATOM 1381 CA GLY A 98 2.702 -0.978 5.531 1.00 3.12 C ATOM 1382 C GLY A 98 3.610 -2.130 5.968 1.00 2.94 C ATOM 1383 O GLY A 98 4.820 -2.030 5.920 1.00 3.67 O ATOM 0 H GLY A 98 1.336 -1.302 7.140 1.00 2.66 H new ATOM 0 HA2 GLY A 98 2.628 -0.953 4.444 1.00 3.12 H new ATOM 0 HA3 GLY A 98 3.130 -0.026 5.844 1.00 3.12 H new ATOM 1387 N SER A 99 3.036 -3.221 6.394 1.00 2.31 N ATOM 1388 CA SER A 99 3.867 -4.376 6.835 1.00 2.54 C ATOM 1389 C SER A 99 3.836 -5.466 5.762 1.00 2.05 C ATOM 1390 O SER A 99 3.166 -6.470 5.903 1.00 1.87 O ATOM 1391 CB SER A 99 3.304 -4.931 8.143 1.00 3.04 C ATOM 1392 OG SER A 99 3.927 -4.274 9.238 1.00 3.79 O ATOM 0 H SER A 99 2.028 -3.363 6.456 1.00 2.31 H new ATOM 0 HA SER A 99 4.896 -4.050 6.989 1.00 2.54 H new ATOM 0 HB2 SER A 99 2.225 -4.782 8.180 1.00 3.04 H new ATOM 0 HB3 SER A 99 3.479 -6.005 8.201 1.00 3.04 H new ATOM 0 HG SER A 99 3.567 -4.626 10.079 1.00 3.79 H new ATOM 1398 N ALA A 100 4.556 -5.280 4.689 1.00 1.96 N ATOM 1399 CA ALA A 100 4.564 -6.308 3.611 1.00 1.63 C ATOM 1400 C ALA A 100 5.980 -6.881 3.466 1.00 1.41 C ATOM 1401 O ALA A 100 6.846 -6.258 2.884 1.00 1.39 O ATOM 1402 CB ALA A 100 4.134 -5.663 2.291 1.00 1.76 C ATOM 0 H ALA A 100 5.138 -4.461 4.513 1.00 1.96 H new ATOM 0 HA ALA A 100 3.872 -7.111 3.865 1.00 1.63 H new ATOM 0 HB1 ALA A 100 4.139 -6.414 1.501 1.00 1.76 H new ATOM 0 HB2 ALA A 100 3.129 -5.254 2.396 1.00 1.76 H new ATOM 0 HB3 ALA A 100 4.827 -4.862 2.035 1.00 1.76 H new ATOM 1408 N PRO A 101 6.218 -8.055 3.994 1.00 1.67 N ATOM 1409 CA PRO A 101 7.553 -8.713 3.925 1.00 1.70 C ATOM 1410 C PRO A 101 7.817 -9.367 2.567 1.00 1.06 C ATOM 1411 O PRO A 101 7.110 -10.263 2.151 1.00 1.45 O ATOM 1412 CB PRO A 101 7.489 -9.774 5.025 1.00 2.69 C ATOM 1413 CG PRO A 101 6.042 -10.112 5.169 1.00 2.97 C ATOM 1414 CD PRO A 101 5.241 -8.888 4.716 1.00 2.35 C ATOM 0 HA PRO A 101 8.362 -7.994 4.054 1.00 1.70 H new ATOM 0 HB2 PRO A 101 8.073 -10.654 4.756 1.00 2.69 H new ATOM 0 HB3 PRO A 101 7.898 -9.394 5.961 1.00 2.69 H new ATOM 0 HG2 PRO A 101 5.789 -10.982 4.564 1.00 2.97 H new ATOM 0 HG3 PRO A 101 5.807 -10.364 6.203 1.00 2.97 H new ATOM 0 HD2 PRO A 101 4.410 -9.174 4.071 1.00 2.35 H new ATOM 0 HD3 PRO A 101 4.816 -8.355 5.566 1.00 2.35 H new ATOM 1422 N LEU A 102 8.832 -8.928 1.871 1.00 0.99 N ATOM 1423 CA LEU A 102 9.137 -9.533 0.543 1.00 1.10 C ATOM 1424 C LEU A 102 10.605 -9.963 0.502 1.00 0.93 C ATOM 1425 O LEU A 102 11.419 -9.499 1.276 1.00 1.33 O ATOM 1426 CB LEU A 102 8.869 -8.507 -0.560 1.00 2.00 C ATOM 1427 CG LEU A 102 7.373 -8.473 -0.875 1.00 2.39 C ATOM 1428 CD1 LEU A 102 7.011 -7.117 -1.485 1.00 3.06 C ATOM 1429 CD2 LEU A 102 7.038 -9.584 -1.871 1.00 2.31 C ATOM 0 H LEU A 102 9.460 -8.180 2.164 1.00 0.99 H new ATOM 0 HA LEU A 102 8.502 -10.405 0.386 1.00 1.10 H new ATOM 0 HB2 LEU A 102 9.207 -7.520 -0.243 1.00 2.00 H new ATOM 0 HB3 LEU A 102 9.434 -8.765 -1.456 1.00 2.00 H new ATOM 0 HG LEU A 102 6.804 -8.622 0.043 1.00 2.39 H new ATOM 0 HD11 LEU A 102 5.945 -7.092 -1.710 1.00 3.06 H new ATOM 0 HD12 LEU A 102 7.251 -6.324 -0.777 1.00 3.06 H new ATOM 0 HD13 LEU A 102 7.579 -6.968 -2.403 1.00 3.06 H new ATOM 0 HD21 LEU A 102 5.972 -9.561 -2.097 1.00 2.31 H new ATOM 0 HD22 LEU A 102 7.606 -9.433 -2.789 1.00 2.31 H new ATOM 0 HD23 LEU A 102 7.297 -10.551 -1.439 1.00 2.31 H new ATOM 1441 N THR A 103 10.950 -10.852 -0.390 1.00 1.21 N ATOM 1442 CA THR A 103 12.364 -11.315 -0.474 1.00 1.09 C ATOM 1443 C THR A 103 13.057 -10.656 -1.670 1.00 1.38 C ATOM 1444 O THR A 103 12.748 -9.541 -2.041 1.00 1.81 O ATOM 1445 CB THR A 103 12.392 -12.836 -0.645 1.00 1.79 C ATOM 1446 OG1 THR A 103 13.718 -13.253 -0.937 1.00 2.04 O ATOM 1447 CG2 THR A 103 11.464 -13.240 -1.791 1.00 2.34 C ATOM 0 H THR A 103 10.313 -11.277 -1.064 1.00 1.21 H new ATOM 0 HA THR A 103 12.887 -11.039 0.441 1.00 1.09 H new ATOM 0 HB THR A 103 12.055 -13.312 0.276 1.00 1.79 H new ATOM 0 HG1 THR A 103 13.707 -13.864 -1.703 1.00 2.04 H new ATOM 0 HG21 THR A 103 11.485 -14.323 -1.912 1.00 2.34 H new ATOM 0 HG22 THR A 103 10.447 -12.920 -1.566 1.00 2.34 H new ATOM 0 HG23 THR A 103 11.798 -12.766 -2.714 1.00 2.34 H new ATOM 1455 N GLY A 104 13.993 -11.337 -2.274 1.00 1.62 N ATOM 1456 CA GLY A 104 14.709 -10.749 -3.442 1.00 2.17 C ATOM 1457 C GLY A 104 14.309 -11.487 -4.720 1.00 1.60 C ATOM 1458 O GLY A 104 15.073 -11.585 -5.658 1.00 1.83 O ATOM 0 H GLY A 104 14.293 -12.275 -2.009 1.00 1.62 H new ATOM 0 HA2 GLY A 104 14.468 -9.690 -3.532 1.00 2.17 H new ATOM 0 HA3 GLY A 104 15.786 -10.819 -3.293 1.00 2.17 H new ATOM 1462 N GLU A 105 13.112 -12.005 -4.766 1.00 1.22 N ATOM 1463 CA GLU A 105 12.660 -12.731 -5.985 1.00 1.09 C ATOM 1464 C GLU A 105 11.203 -12.370 -6.274 1.00 1.06 C ATOM 1465 O GLU A 105 10.430 -12.116 -5.372 1.00 1.08 O ATOM 1466 CB GLU A 105 12.778 -14.239 -5.752 1.00 1.40 C ATOM 1467 CG GLU A 105 11.519 -14.750 -5.050 1.00 1.95 C ATOM 1468 CD GLU A 105 11.816 -16.092 -4.380 1.00 2.43 C ATOM 1469 OE1 GLU A 105 12.192 -17.014 -5.085 1.00 3.02 O ATOM 1470 OE2 GLU A 105 11.662 -16.176 -3.172 1.00 2.75 O ATOM 0 H GLU A 105 12.428 -11.956 -4.011 1.00 1.22 H new ATOM 0 HA GLU A 105 13.282 -12.447 -6.834 1.00 1.09 H new ATOM 0 HB2 GLU A 105 12.911 -14.755 -6.703 1.00 1.40 H new ATOM 0 HB3 GLU A 105 13.658 -14.456 -5.146 1.00 1.40 H new ATOM 0 HG2 GLU A 105 11.186 -14.026 -4.306 1.00 1.95 H new ATOM 0 HG3 GLU A 105 10.709 -14.863 -5.770 1.00 1.95 H new ATOM 1477 N PRO A 106 10.832 -12.347 -7.525 1.00 1.08 N ATOM 1478 CA PRO A 106 9.445 -12.012 -7.943 1.00 1.12 C ATOM 1479 C PRO A 106 8.403 -12.641 -7.017 1.00 1.24 C ATOM 1480 O PRO A 106 8.305 -13.847 -6.904 1.00 1.42 O ATOM 1481 CB PRO A 106 9.346 -12.603 -9.348 1.00 1.26 C ATOM 1482 CG PRO A 106 10.741 -12.597 -9.884 1.00 1.20 C ATOM 1483 CD PRO A 106 11.692 -12.641 -8.682 1.00 1.13 C ATOM 0 HA PRO A 106 9.250 -10.940 -7.908 1.00 1.12 H new ATOM 0 HB2 PRO A 106 8.941 -13.614 -9.320 1.00 1.26 H new ATOM 0 HB3 PRO A 106 8.682 -12.010 -9.977 1.00 1.26 H new ATOM 0 HG2 PRO A 106 10.906 -13.455 -10.536 1.00 1.20 H new ATOM 0 HG3 PRO A 106 10.919 -11.703 -10.482 1.00 1.20 H new ATOM 0 HD2 PRO A 106 12.167 -13.617 -8.586 1.00 1.13 H new ATOM 0 HD3 PRO A 106 12.491 -11.906 -8.780 1.00 1.13 H new ATOM 1491 N ALA A 107 7.626 -11.835 -6.347 1.00 1.17 N ATOM 1492 CA ALA A 107 6.599 -12.393 -5.425 1.00 1.31 C ATOM 1493 C ALA A 107 5.405 -11.439 -5.340 1.00 1.24 C ATOM 1494 O ALA A 107 5.553 -10.260 -5.080 1.00 1.04 O ATOM 1495 CB ALA A 107 7.207 -12.570 -4.033 1.00 1.37 C ATOM 0 H ALA A 107 7.658 -10.817 -6.398 1.00 1.17 H new ATOM 0 HA ALA A 107 6.263 -13.358 -5.804 1.00 1.31 H new ATOM 0 HB1 ALA A 107 6.456 -12.979 -3.357 1.00 1.37 H new ATOM 0 HB2 ALA A 107 8.054 -13.254 -4.090 1.00 1.37 H new ATOM 0 HB3 ALA A 107 7.545 -11.604 -3.658 1.00 1.37 H new ATOM 1501 N THR A 108 4.223 -11.944 -5.559 1.00 1.45 N ATOM 1502 CA THR A 108 3.014 -11.079 -5.485 1.00 1.43 C ATOM 1503 C THR A 108 2.439 -11.111 -4.070 1.00 1.38 C ATOM 1504 O THR A 108 2.394 -12.145 -3.434 1.00 1.47 O ATOM 1505 CB THR A 108 1.959 -11.590 -6.466 1.00 1.60 C ATOM 1506 OG1 THR A 108 2.106 -12.994 -6.631 1.00 1.72 O ATOM 1507 CG2 THR A 108 2.140 -10.893 -7.812 1.00 1.66 C ATOM 0 H THR A 108 4.042 -12.922 -5.787 1.00 1.45 H new ATOM 0 HA THR A 108 3.292 -10.057 -5.741 1.00 1.43 H new ATOM 0 HB THR A 108 0.964 -11.375 -6.077 1.00 1.60 H new ATOM 0 HG1 THR A 108 1.429 -13.322 -7.259 1.00 1.72 H new ATOM 0 HG21 THR A 108 1.389 -11.256 -8.514 1.00 1.66 H new ATOM 0 HG22 THR A 108 2.026 -9.817 -7.683 1.00 1.66 H new ATOM 0 HG23 THR A 108 3.135 -11.108 -8.202 1.00 1.66 H new ATOM 1515 N ARG A 109 1.972 -9.997 -3.580 1.00 1.33 N ATOM 1516 CA ARG A 109 1.375 -9.989 -2.217 1.00 1.32 C ATOM 1517 C ARG A 109 -0.116 -9.698 -2.347 1.00 1.37 C ATOM 1518 O ARG A 109 -0.525 -8.835 -3.101 1.00 1.49 O ATOM 1519 CB ARG A 109 2.024 -8.916 -1.348 1.00 1.27 C ATOM 1520 CG ARG A 109 3.544 -9.097 -1.347 1.00 1.97 C ATOM 1521 CD ARG A 109 3.889 -10.564 -1.086 1.00 2.63 C ATOM 1522 NE ARG A 109 3.013 -11.107 -0.002 1.00 3.48 N ATOM 1523 CZ ARG A 109 2.887 -10.487 1.141 1.00 3.74 C ATOM 1524 NH1 ARG A 109 3.661 -9.478 1.432 1.00 3.39 N ATOM 1525 NH2 ARG A 109 2.019 -10.912 2.017 1.00 4.70 N ATOM 0 H ARG A 109 1.978 -9.098 -4.061 1.00 1.33 H new ATOM 0 HA ARG A 109 1.540 -10.958 -1.746 1.00 1.32 H new ATOM 0 HB2 ARG A 109 1.767 -7.926 -1.725 1.00 1.27 H new ATOM 0 HB3 ARG A 109 1.641 -8.979 -0.330 1.00 1.27 H new ATOM 0 HG2 ARG A 109 3.958 -8.781 -2.305 1.00 1.97 H new ATOM 0 HG3 ARG A 109 3.994 -8.466 -0.581 1.00 1.97 H new ATOM 0 HD2 ARG A 109 3.757 -11.146 -1.998 1.00 2.63 H new ATOM 0 HD3 ARG A 109 4.937 -10.655 -0.799 1.00 2.63 H new ATOM 0 HE ARG A 109 2.505 -11.977 -0.158 1.00 3.48 H new ATOM 0 HH11 ARG A 109 4.369 -9.169 0.766 1.00 3.39 H new ATOM 0 HH12 ARG A 109 3.558 -8.998 2.326 1.00 3.39 H new ATOM 0 HH21 ARG A 109 1.441 -11.726 1.809 1.00 4.70 H new ATOM 0 HH22 ARG A 109 1.918 -10.430 2.910 1.00 4.70 H new ATOM 1539 N GLU A 110 -0.926 -10.416 -1.623 1.00 1.37 N ATOM 1540 CA GLU A 110 -2.397 -10.198 -1.706 1.00 1.51 C ATOM 1541 C GLU A 110 -2.931 -9.733 -0.351 1.00 1.50 C ATOM 1542 O GLU A 110 -3.028 -10.502 0.584 1.00 1.45 O ATOM 1543 CB GLU A 110 -3.081 -11.509 -2.098 1.00 1.79 C ATOM 1544 CG GLU A 110 -3.265 -11.555 -3.617 1.00 2.12 C ATOM 1545 CD GLU A 110 -3.973 -12.853 -4.006 1.00 2.63 C ATOM 1546 OE1 GLU A 110 -5.193 -12.860 -4.016 1.00 3.28 O ATOM 1547 OE2 GLU A 110 -3.283 -13.820 -4.287 1.00 2.69 O ATOM 0 H GLU A 110 -0.633 -11.147 -0.975 1.00 1.37 H new ATOM 0 HA GLU A 110 -2.606 -9.434 -2.455 1.00 1.51 H new ATOM 0 HB2 GLU A 110 -2.481 -12.357 -1.768 1.00 1.79 H new ATOM 0 HB3 GLU A 110 -4.048 -11.590 -1.601 1.00 1.79 H new ATOM 0 HG2 GLU A 110 -3.848 -10.696 -3.949 1.00 2.12 H new ATOM 0 HG3 GLU A 110 -2.296 -11.494 -4.113 1.00 2.12 H new ATOM 1554 N TYR A 111 -3.288 -8.484 -0.241 1.00 1.66 N ATOM 1555 CA TYR A 111 -3.826 -7.978 1.050 1.00 1.81 C ATOM 1556 C TYR A 111 -5.318 -7.684 0.889 1.00 2.14 C ATOM 1557 O TYR A 111 -5.712 -6.811 0.140 1.00 2.42 O ATOM 1558 CB TYR A 111 -3.086 -6.700 1.454 1.00 1.87 C ATOM 1559 CG TYR A 111 -1.632 -7.015 1.721 1.00 1.94 C ATOM 1560 CD1 TYR A 111 -1.285 -7.979 2.676 1.00 1.82 C ATOM 1561 CD2 TYR A 111 -0.629 -6.344 1.010 1.00 2.76 C ATOM 1562 CE1 TYR A 111 0.062 -8.270 2.919 1.00 2.00 C ATOM 1563 CE2 TYR A 111 0.718 -6.635 1.253 1.00 2.96 C ATOM 1564 CZ TYR A 111 1.063 -7.599 2.208 1.00 2.36 C ATOM 1565 OH TYR A 111 2.391 -7.888 2.446 1.00 2.67 O ATOM 0 H TYR A 111 -3.230 -7.793 -0.989 1.00 1.66 H new ATOM 0 HA TYR A 111 -3.683 -8.730 1.826 1.00 1.81 H new ATOM 0 HB2 TYR A 111 -3.167 -5.956 0.662 1.00 1.87 H new ATOM 0 HB3 TYR A 111 -3.544 -6.269 2.344 1.00 1.87 H new ATOM 0 HD1 TYR A 111 -2.057 -8.498 3.225 1.00 1.82 H new ATOM 0 HD2 TYR A 111 -0.896 -5.601 0.273 1.00 2.76 H new ATOM 0 HE1 TYR A 111 0.329 -9.013 3.656 1.00 2.00 H new ATOM 0 HE2 TYR A 111 1.491 -6.117 0.705 1.00 2.96 H new ATOM 0 HH TYR A 111 2.472 -8.389 3.285 1.00 2.67 H new ATOM 1575 N ALA A 112 -6.152 -8.411 1.581 1.00 2.33 N ATOM 1576 CA ALA A 112 -7.617 -8.181 1.466 1.00 2.71 C ATOM 1577 C ALA A 112 -8.115 -7.420 2.695 1.00 2.50 C ATOM 1578 O ALA A 112 -7.399 -7.243 3.660 1.00 2.65 O ATOM 1579 CB ALA A 112 -8.339 -9.526 1.373 1.00 3.41 C ATOM 0 H ALA A 112 -5.880 -9.156 2.222 1.00 2.33 H new ATOM 0 HA ALA A 112 -7.821 -7.595 0.570 1.00 2.71 H new ATOM 0 HB1 ALA A 112 -9.413 -9.358 1.289 1.00 3.41 H new ATOM 0 HB2 ALA A 112 -7.987 -10.068 0.495 1.00 3.41 H new ATOM 0 HB3 ALA A 112 -8.133 -10.112 2.269 1.00 3.41 H new ATOM 1585 N PHE A 113 -9.340 -6.969 2.669 1.00 2.28 N ATOM 1586 CA PHE A 113 -9.879 -6.219 3.840 1.00 2.20 C ATOM 1587 C PHE A 113 -11.317 -5.780 3.556 1.00 1.67 C ATOM 1588 O PHE A 113 -11.753 -5.742 2.423 1.00 1.59 O ATOM 1589 CB PHE A 113 -9.014 -4.984 4.092 1.00 2.57 C ATOM 1590 CG PHE A 113 -8.420 -4.517 2.786 1.00 2.45 C ATOM 1591 CD1 PHE A 113 -9.233 -3.897 1.830 1.00 2.38 C ATOM 1592 CD2 PHE A 113 -7.057 -4.708 2.529 1.00 2.65 C ATOM 1593 CE1 PHE A 113 -8.684 -3.469 0.616 1.00 2.44 C ATOM 1594 CE2 PHE A 113 -6.509 -4.281 1.313 1.00 2.77 C ATOM 1595 CZ PHE A 113 -7.322 -3.661 0.358 1.00 2.64 C ATOM 0 H PHE A 113 -9.989 -7.087 1.891 1.00 2.28 H new ATOM 0 HA PHE A 113 -9.865 -6.864 4.718 1.00 2.20 H new ATOM 0 HB2 PHE A 113 -9.614 -4.190 4.536 1.00 2.57 H new ATOM 0 HB3 PHE A 113 -8.221 -5.220 4.802 1.00 2.57 H new ATOM 0 HD1 PHE A 113 -10.284 -3.749 2.029 1.00 2.38 H new ATOM 0 HD2 PHE A 113 -6.429 -5.184 3.268 1.00 2.65 H new ATOM 0 HE1 PHE A 113 -9.311 -2.991 -0.122 1.00 2.44 H new ATOM 0 HE2 PHE A 113 -5.458 -4.430 1.112 1.00 2.77 H new ATOM 0 HZ PHE A 113 -6.898 -3.330 -0.579 1.00 2.64 H new ATOM 1605 N THR A 114 -12.052 -5.446 4.579 1.00 1.53 N ATOM 1606 CA THR A 114 -13.461 -5.004 4.377 1.00 1.47 C ATOM 1607 C THR A 114 -13.486 -3.497 4.118 1.00 1.85 C ATOM 1608 O THR A 114 -12.594 -2.776 4.519 1.00 2.23 O ATOM 1609 CB THR A 114 -14.278 -5.322 5.630 1.00 1.92 C ATOM 1610 OG1 THR A 114 -13.431 -5.268 6.770 1.00 2.12 O ATOM 1611 CG2 THR A 114 -14.882 -6.722 5.508 1.00 2.22 C ATOM 0 H THR A 114 -11.738 -5.460 5.549 1.00 1.53 H new ATOM 0 HA THR A 114 -13.890 -5.527 3.523 1.00 1.47 H new ATOM 0 HB THR A 114 -15.080 -4.592 5.736 1.00 1.92 H new ATOM 0 HG1 THR A 114 -13.167 -4.339 6.937 1.00 2.12 H new ATOM 0 HG21 THR A 114 -15.464 -6.946 6.402 1.00 2.22 H new ATOM 0 HG22 THR A 114 -15.531 -6.763 4.633 1.00 2.22 H new ATOM 0 HG23 THR A 114 -14.082 -7.455 5.402 1.00 2.22 H new ATOM 1619 N SER A 115 -14.495 -3.012 3.448 1.00 2.24 N ATOM 1620 CA SER A 115 -14.560 -1.552 3.167 1.00 2.93 C ATOM 1621 C SER A 115 -15.304 -0.835 4.297 1.00 3.67 C ATOM 1622 O SER A 115 -16.135 0.019 4.061 1.00 4.11 O ATOM 1623 CB SER A 115 -15.274 -1.312 1.836 1.00 3.21 C ATOM 1624 OG SER A 115 -14.305 -1.145 0.810 1.00 4.06 O ATOM 0 H SER A 115 -15.274 -3.562 3.085 1.00 2.24 H new ATOM 0 HA SER A 115 -13.547 -1.155 3.104 1.00 2.93 H new ATOM 0 HB2 SER A 115 -15.927 -2.153 1.603 1.00 3.21 H new ATOM 0 HB3 SER A 115 -15.906 -0.427 1.903 1.00 3.21 H new ATOM 0 HG SER A 115 -14.333 -1.916 0.205 1.00 4.06 H new ATOM 1630 N ASN A 116 -15.005 -1.175 5.521 1.00 3.92 N ATOM 1631 CA ASN A 116 -15.689 -0.514 6.671 1.00 4.70 C ATOM 1632 C ASN A 116 -15.852 0.979 6.381 1.00 4.40 C ATOM 1633 O ASN A 116 -16.642 1.659 7.006 1.00 4.82 O ATOM 1634 CB ASN A 116 -14.848 -0.699 7.936 1.00 5.27 C ATOM 1635 CG ASN A 116 -14.574 -2.187 8.155 1.00 6.19 C ATOM 1636 OD1 ASN A 116 -13.848 -2.801 7.398 1.00 6.51 O ATOM 1637 ND2 ASN A 116 -15.129 -2.798 9.166 1.00 6.86 N ATOM 0 H ASN A 116 -14.316 -1.883 5.776 1.00 3.92 H new ATOM 0 HA ASN A 116 -16.671 -0.963 6.817 1.00 4.70 H new ATOM 0 HB2 ASN A 116 -13.908 -0.155 7.843 1.00 5.27 H new ATOM 0 HB3 ASN A 116 -15.372 -0.284 8.797 1.00 5.27 H new ATOM 0 HD21 ASN A 116 -14.953 -3.791 9.321 1.00 6.86 H new ATOM 0 HD22 ASN A 116 -15.738 -2.283 9.801 1.00 6.86 H new ATOM 1644 N LEU A 117 -15.111 1.496 5.439 1.00 3.81 N ATOM 1645 CA LEU A 117 -15.228 2.946 5.113 1.00 3.59 C ATOM 1646 C LEU A 117 -15.888 3.108 3.742 1.00 3.13 C ATOM 1647 O LEU A 117 -15.669 2.325 2.840 1.00 3.28 O ATOM 1648 CB LEU A 117 -13.834 3.575 5.084 1.00 3.83 C ATOM 1649 CG LEU A 117 -13.648 4.462 6.315 1.00 4.66 C ATOM 1650 CD1 LEU A 117 -14.628 5.636 6.252 1.00 5.12 C ATOM 1651 CD2 LEU A 117 -13.918 3.643 7.580 1.00 4.76 C ATOM 0 H LEU A 117 -14.431 0.978 4.882 1.00 3.81 H new ATOM 0 HA LEU A 117 -15.835 3.442 5.870 1.00 3.59 H new ATOM 0 HB2 LEU A 117 -13.072 2.796 5.066 1.00 3.83 H new ATOM 0 HB3 LEU A 117 -13.708 4.164 4.176 1.00 3.83 H new ATOM 0 HG LEU A 117 -12.626 4.841 6.337 1.00 4.66 H new ATOM 0 HD11 LEU A 117 -14.495 6.268 7.130 1.00 5.12 H new ATOM 0 HD12 LEU A 117 -14.438 6.220 5.352 1.00 5.12 H new ATOM 0 HD13 LEU A 117 -15.650 5.256 6.229 1.00 5.12 H new ATOM 0 HD21 LEU A 117 -13.785 4.275 8.458 1.00 4.76 H new ATOM 0 HD22 LEU A 117 -14.940 3.264 7.557 1.00 4.76 H new ATOM 0 HD23 LEU A 117 -13.221 2.806 7.627 1.00 4.76 H new ATOM 1663 N THR A 118 -16.698 4.119 3.581 1.00 3.12 N ATOM 1664 CA THR A 118 -17.375 4.330 2.272 1.00 3.08 C ATOM 1665 C THR A 118 -16.759 5.537 1.562 1.00 3.13 C ATOM 1666 O THR A 118 -16.970 6.670 1.947 1.00 3.70 O ATOM 1667 CB THR A 118 -18.864 4.585 2.511 1.00 3.62 C ATOM 1668 OG1 THR A 118 -19.037 5.210 3.775 1.00 4.06 O ATOM 1669 CG2 THR A 118 -19.623 3.257 2.488 1.00 4.04 C ATOM 0 H THR A 118 -16.920 4.808 4.300 1.00 3.12 H new ATOM 0 HA THR A 118 -17.249 3.444 1.650 1.00 3.08 H new ATOM 0 HB THR A 118 -19.252 5.235 1.727 1.00 3.62 H new ATOM 0 HG1 THR A 118 -19.990 5.376 3.930 1.00 4.06 H new ATOM 0 HG21 THR A 118 -20.684 3.441 2.659 1.00 4.04 H new ATOM 0 HG22 THR A 118 -19.489 2.778 1.518 1.00 4.04 H new ATOM 0 HG23 THR A 118 -19.238 2.604 3.271 1.00 4.04 H new ATOM 1677 N PHE A 119 -16.002 5.304 0.524 1.00 2.76 N ATOM 1678 CA PHE A 119 -15.377 6.439 -0.213 1.00 3.07 C ATOM 1679 C PHE A 119 -15.577 6.233 -1.718 1.00 2.72 C ATOM 1680 O PHE A 119 -14.843 5.500 -2.350 1.00 2.65 O ATOM 1681 CB PHE A 119 -13.878 6.489 0.094 1.00 3.53 C ATOM 1682 CG PHE A 119 -13.662 6.863 1.542 1.00 4.12 C ATOM 1683 CD1 PHE A 119 -14.185 8.061 2.047 1.00 4.69 C ATOM 1684 CD2 PHE A 119 -12.932 6.011 2.380 1.00 4.47 C ATOM 1685 CE1 PHE A 119 -13.979 8.404 3.388 1.00 5.33 C ATOM 1686 CE2 PHE A 119 -12.725 6.355 3.721 1.00 5.10 C ATOM 1687 CZ PHE A 119 -13.249 7.552 4.225 1.00 5.44 C ATOM 0 H PHE A 119 -15.790 4.377 0.155 1.00 2.76 H new ATOM 0 HA PHE A 119 -15.842 7.374 0.098 1.00 3.07 H new ATOM 0 HB2 PHE A 119 -13.423 5.520 -0.112 1.00 3.53 H new ATOM 0 HB3 PHE A 119 -13.389 7.215 -0.555 1.00 3.53 H new ATOM 0 HD1 PHE A 119 -14.747 8.720 1.401 1.00 4.69 H new ATOM 0 HD2 PHE A 119 -12.528 5.088 1.991 1.00 4.47 H new ATOM 0 HE1 PHE A 119 -14.383 9.327 3.777 1.00 5.33 H new ATOM 0 HE2 PHE A 119 -12.162 5.698 4.367 1.00 5.10 H new ATOM 0 HZ PHE A 119 -13.090 7.818 5.260 1.00 5.44 H new ATOM 1697 N PRO A 120 -16.564 6.873 -2.289 1.00 2.96 N ATOM 1698 CA PRO A 120 -16.862 6.752 -3.744 1.00 2.86 C ATOM 1699 C PRO A 120 -15.927 7.612 -4.601 1.00 3.02 C ATOM 1700 O PRO A 120 -15.242 8.482 -4.101 1.00 3.70 O ATOM 1701 CB PRO A 120 -18.303 7.249 -3.857 1.00 3.40 C ATOM 1702 CG PRO A 120 -18.496 8.188 -2.711 1.00 4.04 C ATOM 1703 CD PRO A 120 -17.506 7.781 -1.615 1.00 3.80 C ATOM 0 HA PRO A 120 -16.722 5.733 -4.105 1.00 2.86 H new ATOM 0 HB2 PRO A 120 -18.470 7.753 -4.809 1.00 3.40 H new ATOM 0 HB3 PRO A 120 -19.009 6.420 -3.807 1.00 3.40 H new ATOM 0 HG2 PRO A 120 -18.320 9.217 -3.024 1.00 4.04 H new ATOM 0 HG3 PRO A 120 -19.520 8.137 -2.341 1.00 4.04 H new ATOM 0 HD2 PRO A 120 -16.993 8.649 -1.201 1.00 3.80 H new ATOM 0 HD3 PRO A 120 -18.012 7.285 -0.787 1.00 3.80 H new ATOM 1711 N PRO A 121 -15.903 7.367 -5.883 1.00 2.87 N ATOM 1712 CA PRO A 121 -15.042 8.124 -6.834 1.00 3.45 C ATOM 1713 C PRO A 121 -15.652 9.475 -7.211 1.00 3.18 C ATOM 1714 O PRO A 121 -14.992 10.336 -7.759 1.00 3.79 O ATOM 1715 CB PRO A 121 -14.978 7.210 -8.056 1.00 3.90 C ATOM 1716 CG PRO A 121 -16.253 6.434 -8.036 1.00 3.47 C ATOM 1717 CD PRO A 121 -16.696 6.335 -6.573 1.00 2.74 C ATOM 0 HA PRO A 121 -14.066 8.357 -6.408 1.00 3.45 H new ATOM 0 HB2 PRO A 121 -14.884 7.788 -8.975 1.00 3.90 H new ATOM 0 HB3 PRO A 121 -14.114 6.548 -8.007 1.00 3.90 H new ATOM 0 HG2 PRO A 121 -17.015 6.930 -8.637 1.00 3.47 H new ATOM 0 HG3 PRO A 121 -16.107 5.442 -8.462 1.00 3.47 H new ATOM 0 HD2 PRO A 121 -17.765 6.518 -6.468 1.00 2.74 H new ATOM 0 HD3 PRO A 121 -16.501 5.344 -6.164 1.00 2.74 H new ATOM 1725 N ASP A 122 -16.911 9.667 -6.923 1.00 2.63 N ATOM 1726 CA ASP A 122 -17.565 10.959 -7.266 1.00 2.65 C ATOM 1727 C ASP A 122 -17.854 11.744 -5.985 1.00 2.94 C ATOM 1728 O ASP A 122 -18.524 11.265 -5.090 1.00 3.74 O ATOM 1729 CB ASP A 122 -18.877 10.687 -8.005 1.00 2.79 C ATOM 1730 CG ASP A 122 -19.752 9.755 -7.163 1.00 3.42 C ATOM 1731 OD1 ASP A 122 -20.456 10.255 -6.302 1.00 3.56 O ATOM 1732 OD2 ASP A 122 -19.704 8.559 -7.396 1.00 4.14 O ATOM 0 H ASP A 122 -17.514 8.984 -6.465 1.00 2.63 H new ATOM 0 HA ASP A 122 -16.902 11.541 -7.905 1.00 2.65 H new ATOM 0 HB2 ASP A 122 -19.401 11.624 -8.194 1.00 2.79 H new ATOM 0 HB3 ASP A 122 -18.673 10.234 -8.975 1.00 2.79 H new ATOM 1737 N GLY A 123 -17.353 12.945 -5.887 1.00 2.81 N ATOM 1738 CA GLY A 123 -17.600 13.758 -4.664 1.00 3.57 C ATOM 1739 C GLY A 123 -16.415 14.698 -4.428 1.00 3.16 C ATOM 1740 O GLY A 123 -16.434 15.848 -4.824 1.00 3.47 O ATOM 0 H GLY A 123 -16.783 13.398 -6.602 1.00 2.81 H new ATOM 0 HA2 GLY A 123 -18.518 14.334 -4.777 1.00 3.57 H new ATOM 0 HA3 GLY A 123 -17.737 13.105 -3.802 1.00 3.57 H new ATOM 1744 N ASP A 124 -15.384 14.220 -3.788 1.00 2.78 N ATOM 1745 CA ASP A 124 -14.199 15.085 -3.529 1.00 2.58 C ATOM 1746 C ASP A 124 -12.994 14.208 -3.182 1.00 2.15 C ATOM 1747 O ASP A 124 -11.877 14.490 -3.566 1.00 2.31 O ATOM 1748 CB ASP A 124 -14.500 16.025 -2.360 1.00 3.01 C ATOM 1749 CG ASP A 124 -15.616 16.993 -2.757 1.00 3.26 C ATOM 1750 OD1 ASP A 124 -16.765 16.582 -2.736 1.00 3.59 O ATOM 1751 OD2 ASP A 124 -15.303 18.129 -3.075 1.00 3.51 O ATOM 0 H ASP A 124 -15.311 13.267 -3.433 1.00 2.78 H new ATOM 0 HA ASP A 124 -13.976 15.673 -4.419 1.00 2.58 H new ATOM 0 HB2 ASP A 124 -14.798 15.449 -1.484 1.00 3.01 H new ATOM 0 HB3 ASP A 124 -13.603 16.580 -2.086 1.00 3.01 H new ATOM 1756 N ALA A 125 -13.213 13.145 -2.457 1.00 1.83 N ATOM 1757 CA ALA A 125 -12.082 12.250 -2.086 1.00 1.67 C ATOM 1758 C ALA A 125 -12.248 10.901 -2.791 1.00 1.39 C ATOM 1759 O ALA A 125 -12.917 10.014 -2.298 1.00 1.38 O ATOM 1760 CB ALA A 125 -12.081 12.034 -0.571 1.00 2.08 C ATOM 0 H ALA A 125 -14.127 12.858 -2.106 1.00 1.83 H new ATOM 0 HA ALA A 125 -11.141 12.707 -2.390 1.00 1.67 H new ATOM 0 HB1 ALA A 125 -11.254 11.379 -0.297 1.00 2.08 H new ATOM 0 HB2 ALA A 125 -11.966 12.994 -0.067 1.00 2.08 H new ATOM 0 HB3 ALA A 125 -13.022 11.575 -0.268 1.00 2.08 H new ATOM 1766 N PRO A 126 -11.644 10.748 -3.939 1.00 1.26 N ATOM 1767 CA PRO A 126 -11.726 9.491 -4.730 1.00 1.14 C ATOM 1768 C PRO A 126 -10.773 8.412 -4.206 1.00 1.05 C ATOM 1769 O PRO A 126 -10.344 8.450 -3.071 1.00 1.36 O ATOM 1770 CB PRO A 126 -11.321 9.927 -6.138 1.00 1.27 C ATOM 1771 CG PRO A 126 -10.436 11.116 -5.950 1.00 1.31 C ATOM 1772 CD PRO A 126 -10.815 11.762 -4.613 1.00 1.39 C ATOM 0 HA PRO A 126 -12.718 9.042 -4.680 1.00 1.14 H new ATOM 0 HB2 PRO A 126 -10.797 9.127 -6.661 1.00 1.27 H new ATOM 0 HB3 PRO A 126 -12.196 10.180 -6.737 1.00 1.27 H new ATOM 0 HG2 PRO A 126 -9.388 10.818 -5.949 1.00 1.31 H new ATOM 0 HG3 PRO A 126 -10.565 11.824 -6.769 1.00 1.31 H new ATOM 0 HD2 PRO A 126 -9.930 12.007 -4.025 1.00 1.39 H new ATOM 0 HD3 PRO A 126 -11.366 12.691 -4.762 1.00 1.39 H new ATOM 1780 N GLY A 127 -10.443 7.450 -5.025 1.00 1.02 N ATOM 1781 CA GLY A 127 -9.521 6.371 -4.571 1.00 1.03 C ATOM 1782 C GLY A 127 -8.099 6.922 -4.466 1.00 1.09 C ATOM 1783 O GLY A 127 -7.853 8.085 -4.715 1.00 1.19 O ATOM 0 H GLY A 127 -10.772 7.365 -5.987 1.00 1.02 H new ATOM 0 HA2 GLY A 127 -9.845 5.985 -3.604 1.00 1.03 H new ATOM 0 HA3 GLY A 127 -9.548 5.537 -5.272 1.00 1.03 H new ATOM 1787 N GLN A 128 -7.161 6.094 -4.098 1.00 1.12 N ATOM 1788 CA GLN A 128 -5.757 6.571 -3.977 1.00 1.26 C ATOM 1789 C GLN A 128 -4.823 5.378 -3.773 1.00 1.11 C ATOM 1790 O GLN A 128 -5.136 4.440 -3.068 1.00 1.11 O ATOM 1791 CB GLN A 128 -5.641 7.514 -2.778 1.00 1.53 C ATOM 1792 CG GLN A 128 -4.165 7.813 -2.503 1.00 1.64 C ATOM 1793 CD GLN A 128 -3.745 7.157 -1.187 1.00 1.87 C ATOM 1794 OE1 GLN A 128 -2.856 7.635 -0.512 1.00 2.01 O ATOM 1795 NE2 GLN A 128 -4.352 6.071 -0.791 1.00 1.99 N ATOM 0 H GLN A 128 -7.307 5.109 -3.876 1.00 1.12 H new ATOM 0 HA GLN A 128 -5.477 7.099 -4.888 1.00 1.26 H new ATOM 0 HB2 GLN A 128 -6.179 8.440 -2.977 1.00 1.53 H new ATOM 0 HB3 GLN A 128 -6.101 7.061 -1.900 1.00 1.53 H new ATOM 0 HG2 GLN A 128 -3.549 7.438 -3.321 1.00 1.64 H new ATOM 0 HG3 GLN A 128 -4.005 8.890 -2.451 1.00 1.64 H new ATOM 0 HE21 GLN A 128 -5.099 5.669 -1.357 1.00 1.99 H new ATOM 0 HE22 GLN A 128 -4.079 5.625 0.085 1.00 1.99 H new ATOM 1804 N VAL A 129 -3.669 5.417 -4.380 1.00 1.03 N ATOM 1805 CA VAL A 129 -2.695 4.303 -4.223 1.00 0.91 C ATOM 1806 C VAL A 129 -1.303 4.912 -4.072 1.00 0.88 C ATOM 1807 O VAL A 129 -1.038 5.988 -4.570 1.00 1.00 O ATOM 1808 CB VAL A 129 -2.727 3.403 -5.461 1.00 0.94 C ATOM 1809 CG1 VAL A 129 -1.714 2.269 -5.291 1.00 1.28 C ATOM 1810 CG2 VAL A 129 -4.129 2.812 -5.634 1.00 0.89 C ATOM 0 H VAL A 129 -3.358 6.179 -4.982 1.00 1.03 H new ATOM 0 HA VAL A 129 -2.948 3.703 -3.349 1.00 0.91 H new ATOM 0 HB VAL A 129 -2.473 3.992 -6.342 1.00 0.94 H new ATOM 0 HG11 VAL A 129 -1.735 1.627 -6.172 1.00 1.28 H new ATOM 0 HG12 VAL A 129 -0.715 2.688 -5.172 1.00 1.28 H new ATOM 0 HG13 VAL A 129 -1.969 1.683 -4.408 1.00 1.28 H new ATOM 0 HG21 VAL A 129 -4.148 2.172 -6.516 1.00 0.89 H new ATOM 0 HG22 VAL A 129 -4.387 2.224 -4.753 1.00 0.89 H new ATOM 0 HG23 VAL A 129 -4.852 3.619 -5.756 1.00 0.89 H new ATOM 1820 N ALA A 130 -0.412 4.254 -3.389 1.00 0.78 N ATOM 1821 CA ALA A 130 0.944 4.842 -3.226 1.00 0.85 C ATOM 1822 C ALA A 130 1.927 3.787 -2.716 1.00 0.75 C ATOM 1823 O ALA A 130 1.851 3.340 -1.589 1.00 0.73 O ATOM 1824 CB ALA A 130 0.869 6.001 -2.232 1.00 0.98 C ATOM 0 H ALA A 130 -0.559 3.349 -2.943 1.00 0.78 H new ATOM 0 HA ALA A 130 1.296 5.204 -4.192 1.00 0.85 H new ATOM 0 HB1 ALA A 130 1.860 6.438 -2.107 1.00 0.98 H new ATOM 0 HB2 ALA A 130 0.183 6.760 -2.609 1.00 0.98 H new ATOM 0 HB3 ALA A 130 0.511 5.633 -1.271 1.00 0.98 H new ATOM 1830 N PHE A 131 2.862 3.403 -3.542 1.00 0.75 N ATOM 1831 CA PHE A 131 3.872 2.394 -3.117 1.00 0.70 C ATOM 1832 C PHE A 131 5.104 3.133 -2.594 1.00 0.77 C ATOM 1833 O PHE A 131 6.052 3.363 -3.318 1.00 0.99 O ATOM 1834 CB PHE A 131 4.272 1.535 -4.319 1.00 0.70 C ATOM 1835 CG PHE A 131 3.248 0.447 -4.546 1.00 0.84 C ATOM 1836 CD1 PHE A 131 1.936 0.601 -4.079 1.00 1.49 C ATOM 1837 CD2 PHE A 131 3.614 -0.717 -5.229 1.00 1.29 C ATOM 1838 CE1 PHE A 131 0.993 -0.413 -4.296 1.00 1.73 C ATOM 1839 CE2 PHE A 131 2.673 -1.730 -5.445 1.00 1.54 C ATOM 1840 CZ PHE A 131 1.361 -1.577 -4.980 1.00 1.48 C ATOM 0 H PHE A 131 2.970 3.746 -4.496 1.00 0.75 H new ATOM 0 HA PHE A 131 3.456 1.754 -2.339 1.00 0.70 H new ATOM 0 HB2 PHE A 131 4.355 2.158 -5.209 1.00 0.70 H new ATOM 0 HB3 PHE A 131 5.253 1.092 -4.148 1.00 0.70 H new ATOM 0 HD1 PHE A 131 1.652 1.500 -3.552 1.00 1.49 H new ATOM 0 HD2 PHE A 131 4.625 -0.834 -5.591 1.00 1.29 H new ATOM 0 HE1 PHE A 131 -0.018 -0.296 -3.935 1.00 1.73 H new ATOM 0 HE2 PHE A 131 2.959 -2.629 -5.970 1.00 1.54 H new ATOM 0 HZ PHE A 131 0.633 -2.357 -5.149 1.00 1.48 H new ATOM 1850 N HIS A 132 5.095 3.523 -1.349 1.00 0.82 N ATOM 1851 CA HIS A 132 6.263 4.268 -0.797 1.00 0.96 C ATOM 1852 C HIS A 132 7.175 3.318 -0.020 1.00 1.03 C ATOM 1853 O HIS A 132 6.730 2.539 0.798 1.00 1.41 O ATOM 1854 CB HIS A 132 5.764 5.370 0.140 1.00 1.41 C ATOM 1855 CG HIS A 132 4.982 6.385 -0.647 1.00 1.36 C ATOM 1856 ND1 HIS A 132 4.741 7.664 -0.170 1.00 1.70 N ATOM 1857 CD2 HIS A 132 4.380 6.327 -1.881 1.00 1.88 C ATOM 1858 CE1 HIS A 132 4.023 8.317 -1.100 1.00 1.96 C ATOM 1859 NE2 HIS A 132 3.774 7.549 -2.163 1.00 2.32 N ATOM 0 H HIS A 132 4.333 3.359 -0.692 1.00 0.82 H new ATOM 0 HA HIS A 132 6.826 4.708 -1.620 1.00 0.96 H new ATOM 0 HB2 HIS A 132 5.138 4.940 0.922 1.00 1.41 H new ATOM 0 HB3 HIS A 132 6.608 5.850 0.635 1.00 1.41 H new ATOM 0 HD2 HIS A 132 4.377 5.466 -2.532 1.00 1.88 H new ATOM 0 HE1 HIS A 132 3.688 9.339 -0.999 1.00 1.96 H new ATOM 0 HE2 HIS A 132 3.252 7.803 -3.002 1.00 2.32 H new ATOM 1867 N LEU A 133 8.453 3.386 -0.272 1.00 1.00 N ATOM 1868 CA LEU A 133 9.409 2.498 0.446 1.00 1.39 C ATOM 1869 C LEU A 133 10.646 3.306 0.846 1.00 1.62 C ATOM 1870 O LEU A 133 11.586 2.781 1.410 1.00 2.04 O ATOM 1871 CB LEU A 133 9.824 1.346 -0.472 1.00 1.58 C ATOM 1872 CG LEU A 133 8.928 1.331 -1.712 1.00 1.41 C ATOM 1873 CD1 LEU A 133 9.311 2.490 -2.636 1.00 1.52 C ATOM 1874 CD2 LEU A 133 9.110 0.006 -2.455 1.00 2.11 C ATOM 0 H LEU A 133 8.878 4.021 -0.947 1.00 1.00 H new ATOM 0 HA LEU A 133 8.933 2.094 1.339 1.00 1.39 H new ATOM 0 HB2 LEU A 133 10.867 1.459 -0.766 1.00 1.58 H new ATOM 0 HB3 LEU A 133 9.744 0.397 0.059 1.00 1.58 H new ATOM 0 HG LEU A 133 7.887 1.439 -1.408 1.00 1.41 H new ATOM 0 HD11 LEU A 133 8.672 2.478 -3.519 1.00 1.52 H new ATOM 0 HD12 LEU A 133 9.182 3.435 -2.108 1.00 1.52 H new ATOM 0 HD13 LEU A 133 10.352 2.384 -2.940 1.00 1.52 H new ATOM 0 HD21 LEU A 133 8.472 -0.006 -3.339 1.00 2.11 H new ATOM 0 HD22 LEU A 133 10.152 -0.101 -2.758 1.00 2.11 H new ATOM 0 HD23 LEU A 133 8.836 -0.820 -1.799 1.00 2.11 H new ATOM 1886 N GLY A 134 10.653 4.580 0.559 1.00 1.46 N ATOM 1887 CA GLY A 134 11.828 5.421 0.923 1.00 1.77 C ATOM 1888 C GLY A 134 12.202 5.171 2.384 1.00 1.08 C ATOM 1889 O GLY A 134 11.351 5.101 3.248 1.00 0.83 O ATOM 0 H GLY A 134 9.895 5.074 0.088 1.00 1.46 H new ATOM 0 HA2 GLY A 134 12.672 5.185 0.275 1.00 1.77 H new ATOM 0 HA3 GLY A 134 11.595 6.475 0.772 1.00 1.77 H new ATOM 1893 N LYS A 135 13.469 5.035 2.669 1.00 1.23 N ATOM 1894 CA LYS A 135 13.893 4.787 4.076 1.00 1.09 C ATOM 1895 C LYS A 135 15.397 5.016 4.213 1.00 1.32 C ATOM 1896 O LYS A 135 16.184 4.490 3.452 1.00 1.76 O ATOM 1897 CB LYS A 135 13.568 3.341 4.461 1.00 1.93 C ATOM 1898 CG LYS A 135 12.074 3.205 4.768 1.00 2.37 C ATOM 1899 CD LYS A 135 11.859 2.060 5.760 1.00 3.36 C ATOM 1900 CE LYS A 135 12.025 2.585 7.188 1.00 4.04 C ATOM 1901 NZ LYS A 135 11.728 1.491 8.155 1.00 5.06 N ATOM 0 H LYS A 135 14.228 5.085 1.989 1.00 1.23 H new ATOM 0 HA LYS A 135 13.360 5.473 4.735 1.00 1.09 H new ATOM 0 HB2 LYS A 135 13.844 2.669 3.648 1.00 1.93 H new ATOM 0 HB3 LYS A 135 14.155 3.047 5.331 1.00 1.93 H new ATOM 0 HG2 LYS A 135 11.691 4.137 5.184 1.00 2.37 H new ATOM 0 HG3 LYS A 135 11.519 3.014 3.850 1.00 2.37 H new ATOM 0 HD2 LYS A 135 10.864 1.635 5.631 1.00 3.36 H new ATOM 0 HD3 LYS A 135 12.575 1.260 5.570 1.00 3.36 H new ATOM 0 HE2 LYS A 135 13.041 2.951 7.337 1.00 4.04 H new ATOM 0 HE3 LYS A 135 11.354 3.427 7.358 1.00 4.04 H new ATOM 0 HZ1 LYS A 135 11.840 1.846 9.126 1.00 5.06 H new ATOM 0 HZ2 LYS A 135 10.751 1.162 8.018 1.00 5.06 H new ATOM 0 HZ3 LYS A 135 12.385 0.700 7.997 1.00 5.06 H new ATOM 1915 N ALA A 136 15.809 5.784 5.185 1.00 1.56 N ATOM 1916 CA ALA A 136 17.268 6.016 5.363 1.00 1.90 C ATOM 1917 C ALA A 136 17.982 4.679 5.172 1.00 2.22 C ATOM 1918 O ALA A 136 19.171 4.617 4.934 1.00 2.64 O ATOM 1919 CB ALA A 136 17.538 6.549 6.772 1.00 2.27 C ATOM 0 H ALA A 136 15.204 6.256 5.857 1.00 1.56 H new ATOM 0 HA ALA A 136 17.628 6.747 4.639 1.00 1.90 H new ATOM 0 HB1 ALA A 136 18.607 6.718 6.898 1.00 2.27 H new ATOM 0 HB2 ALA A 136 17.003 7.488 6.914 1.00 2.27 H new ATOM 0 HB3 ALA A 136 17.196 5.821 7.508 1.00 2.27 H new ATOM 1925 N GLY A 137 17.244 3.607 5.264 1.00 2.17 N ATOM 1926 CA GLY A 137 17.842 2.257 5.079 1.00 2.51 C ATOM 1927 C GLY A 137 17.075 1.527 3.975 1.00 1.81 C ATOM 1928 O GLY A 137 17.148 0.321 3.849 1.00 2.11 O ATOM 0 H GLY A 137 16.243 3.610 5.461 1.00 2.17 H new ATOM 0 HA2 GLY A 137 18.895 2.344 4.813 1.00 2.51 H new ATOM 0 HA3 GLY A 137 17.794 1.692 6.010 1.00 2.51 H new ATOM 1932 N ALA A 138 16.330 2.256 3.185 1.00 1.23 N ATOM 1933 CA ALA A 138 15.542 1.627 2.085 1.00 1.37 C ATOM 1934 C ALA A 138 16.439 0.723 1.234 1.00 1.13 C ATOM 1935 O ALA A 138 17.392 0.139 1.710 1.00 1.41 O ATOM 1936 CB ALA A 138 14.950 2.725 1.201 1.00 2.32 C ATOM 0 H ALA A 138 16.234 3.269 3.256 1.00 1.23 H new ATOM 0 HA ALA A 138 14.745 1.024 2.520 1.00 1.37 H new ATOM 0 HB1 ALA A 138 14.373 2.272 0.395 1.00 2.32 H new ATOM 0 HB2 ALA A 138 14.299 3.362 1.799 1.00 2.32 H new ATOM 0 HB3 ALA A 138 15.755 3.325 0.777 1.00 2.32 H new ATOM 1942 N TYR A 139 16.132 0.595 -0.027 1.00 0.82 N ATOM 1943 CA TYR A 139 16.954 -0.283 -0.908 1.00 0.75 C ATOM 1944 C TYR A 139 16.537 -0.119 -2.372 1.00 0.76 C ATOM 1945 O TYR A 139 16.694 0.932 -2.960 1.00 0.83 O ATOM 1946 CB TYR A 139 16.776 -1.742 -0.478 1.00 0.74 C ATOM 1947 CG TYR A 139 15.336 -2.204 -0.628 1.00 0.79 C ATOM 1948 CD1 TYR A 139 14.304 -1.316 -0.980 1.00 1.42 C ATOM 1949 CD2 TYR A 139 15.038 -3.553 -0.401 1.00 1.41 C ATOM 1950 CE1 TYR A 139 12.990 -1.784 -1.105 1.00 1.61 C ATOM 1951 CE2 TYR A 139 13.725 -4.016 -0.524 1.00 1.42 C ATOM 1952 CZ TYR A 139 12.700 -3.132 -0.877 1.00 1.11 C ATOM 1953 OH TYR A 139 11.404 -3.591 -0.998 1.00 1.32 O ATOM 0 H TYR A 139 15.348 1.060 -0.486 1.00 0.82 H new ATOM 0 HA TYR A 139 18.002 0.003 -0.814 1.00 0.75 H new ATOM 0 HB2 TYR A 139 17.426 -2.379 -1.077 1.00 0.74 H new ATOM 0 HB3 TYR A 139 17.088 -1.855 0.560 1.00 0.74 H new ATOM 0 HD1 TYR A 139 14.525 -0.273 -1.154 1.00 1.42 H new ATOM 0 HD2 TYR A 139 15.827 -4.239 -0.130 1.00 1.41 H new ATOM 0 HE1 TYR A 139 12.199 -1.102 -1.378 1.00 1.61 H new ATOM 0 HE2 TYR A 139 13.502 -5.058 -0.346 1.00 1.42 H new ATOM 0 HH TYR A 139 11.245 -3.882 -1.920 1.00 1.32 H new ATOM 1963 N GLU A 140 16.009 -1.156 -2.964 1.00 0.80 N ATOM 1964 CA GLU A 140 15.579 -1.068 -4.388 1.00 0.87 C ATOM 1965 C GLU A 140 14.224 -1.759 -4.552 1.00 0.77 C ATOM 1966 O GLU A 140 13.966 -2.787 -3.958 1.00 0.73 O ATOM 1967 CB GLU A 140 16.616 -1.758 -5.279 1.00 1.13 C ATOM 1968 CG GLU A 140 17.936 -0.987 -5.219 1.00 0.93 C ATOM 1969 CD GLU A 140 18.690 -1.163 -6.537 1.00 0.94 C ATOM 1970 OE1 GLU A 140 18.180 -0.720 -7.553 1.00 1.65 O ATOM 1971 OE2 GLU A 140 19.767 -1.739 -6.509 1.00 1.25 O ATOM 0 H GLU A 140 15.857 -2.062 -2.521 1.00 0.80 H new ATOM 0 HA GLU A 140 15.492 -0.021 -4.678 1.00 0.87 H new ATOM 0 HB2 GLU A 140 16.768 -2.786 -4.949 1.00 1.13 H new ATOM 0 HB3 GLU A 140 16.255 -1.803 -6.307 1.00 1.13 H new ATOM 0 HG2 GLU A 140 17.744 0.070 -5.036 1.00 0.93 H new ATOM 0 HG3 GLU A 140 18.543 -1.349 -4.389 1.00 0.93 H new ATOM 1978 N PHE A 141 13.355 -1.200 -5.350 1.00 0.77 N ATOM 1979 CA PHE A 141 12.015 -1.825 -5.546 1.00 0.75 C ATOM 1980 C PHE A 141 11.853 -2.229 -7.013 1.00 0.72 C ATOM 1981 O PHE A 141 12.068 -1.437 -7.909 1.00 0.73 O ATOM 1982 CB PHE A 141 10.931 -0.811 -5.170 1.00 0.79 C ATOM 1983 CG PHE A 141 9.567 -1.437 -5.323 1.00 0.81 C ATOM 1984 CD1 PHE A 141 9.246 -2.600 -4.615 1.00 1.64 C ATOM 1985 CD2 PHE A 141 8.621 -0.849 -6.171 1.00 1.17 C ATOM 1986 CE1 PHE A 141 7.977 -3.177 -4.755 1.00 1.68 C ATOM 1987 CE2 PHE A 141 7.352 -1.426 -6.311 1.00 1.26 C ATOM 1988 CZ PHE A 141 7.030 -2.590 -5.602 1.00 1.00 C ATOM 0 H PHE A 141 13.514 -0.339 -5.874 1.00 0.77 H new ATOM 0 HA PHE A 141 11.923 -2.710 -4.916 1.00 0.75 H new ATOM 0 HB2 PHE A 141 11.074 -0.477 -4.142 1.00 0.79 H new ATOM 0 HB3 PHE A 141 11.009 0.071 -5.806 1.00 0.79 H new ATOM 0 HD1 PHE A 141 9.976 -3.053 -3.961 1.00 1.64 H new ATOM 0 HD2 PHE A 141 8.869 0.049 -6.717 1.00 1.17 H new ATOM 0 HE1 PHE A 141 7.729 -4.075 -4.209 1.00 1.68 H new ATOM 0 HE2 PHE A 141 6.622 -0.973 -6.966 1.00 1.26 H new ATOM 0 HZ PHE A 141 6.051 -3.034 -5.709 1.00 1.00 H new ATOM 1998 N CYS A 142 11.486 -3.456 -7.270 1.00 0.70 N ATOM 1999 CA CYS A 142 11.325 -3.902 -8.682 1.00 0.68 C ATOM 2000 C CYS A 142 9.875 -4.325 -8.935 1.00 0.68 C ATOM 2001 O CYS A 142 9.420 -5.335 -8.437 1.00 0.74 O ATOM 2002 CB CYS A 142 12.247 -5.093 -8.939 1.00 0.68 C ATOM 2003 SG CYS A 142 13.856 -4.506 -9.523 1.00 0.72 S ATOM 0 H CYS A 142 11.291 -4.166 -6.564 1.00 0.70 H new ATOM 0 HA CYS A 142 11.581 -3.080 -9.350 1.00 0.68 H new ATOM 0 HB2 CYS A 142 12.371 -5.673 -8.024 1.00 0.68 H new ATOM 0 HB3 CYS A 142 11.801 -5.757 -9.679 1.00 0.68 H new ATOM 2008 N ILE A 143 9.152 -3.568 -9.714 1.00 0.83 N ATOM 2009 CA ILE A 143 7.737 -3.930 -10.011 1.00 0.89 C ATOM 2010 C ILE A 143 7.574 -4.134 -11.515 1.00 0.92 C ATOM 2011 O ILE A 143 8.188 -3.463 -12.321 1.00 0.91 O ATOM 2012 CB ILE A 143 6.806 -2.817 -9.523 1.00 0.95 C ATOM 2013 CG1 ILE A 143 5.670 -2.593 -10.527 1.00 1.11 C ATOM 2014 CG2 ILE A 143 7.600 -1.521 -9.359 1.00 0.92 C ATOM 2015 CD1 ILE A 143 4.662 -1.601 -9.945 1.00 1.22 C ATOM 0 H ILE A 143 9.481 -2.711 -10.159 1.00 0.83 H new ATOM 0 HA ILE A 143 7.478 -4.854 -9.495 1.00 0.89 H new ATOM 0 HB ILE A 143 6.379 -3.112 -8.565 1.00 0.95 H new ATOM 0 HG12 ILE A 143 6.071 -2.212 -11.466 1.00 1.11 H new ATOM 0 HG13 ILE A 143 5.177 -3.539 -10.751 1.00 1.11 H new ATOM 0 HG21 ILE A 143 6.936 -0.729 -9.012 1.00 0.92 H new ATOM 0 HG22 ILE A 143 8.397 -1.672 -8.631 1.00 0.92 H new ATOM 0 HG23 ILE A 143 8.034 -1.236 -10.318 1.00 0.92 H new ATOM 0 HD11 ILE A 143 3.854 -1.442 -10.659 1.00 1.22 H new ATOM 0 HD12 ILE A 143 4.253 -2.000 -9.017 1.00 1.22 H new ATOM 0 HD13 ILE A 143 5.160 -0.653 -9.743 1.00 1.22 H new ATOM 2027 N SER A 144 6.745 -5.062 -11.886 1.00 1.00 N ATOM 2028 CA SER A 144 6.521 -5.333 -13.331 1.00 1.07 C ATOM 2029 C SER A 144 5.020 -5.356 -13.611 1.00 1.14 C ATOM 2030 O SER A 144 4.590 -5.283 -14.746 1.00 1.33 O ATOM 2031 CB SER A 144 7.130 -6.687 -13.696 1.00 1.17 C ATOM 2032 OG SER A 144 6.483 -7.710 -12.954 1.00 1.28 O ATOM 0 H SER A 144 6.208 -5.649 -11.248 1.00 1.00 H new ATOM 0 HA SER A 144 6.992 -4.552 -13.928 1.00 1.07 H new ATOM 0 HB2 SER A 144 7.019 -6.872 -14.764 1.00 1.17 H new ATOM 0 HB3 SER A 144 8.199 -6.687 -13.482 1.00 1.17 H new ATOM 0 HG SER A 144 6.871 -8.579 -13.188 1.00 1.28 H new ATOM 2038 N GLN A 145 4.215 -5.454 -12.587 1.00 1.08 N ATOM 2039 CA GLN A 145 2.740 -5.479 -12.810 1.00 1.29 C ATOM 2040 C GLN A 145 2.012 -4.994 -11.554 1.00 1.38 C ATOM 2041 O GLN A 145 2.621 -4.696 -10.545 1.00 1.99 O ATOM 2042 CB GLN A 145 2.290 -6.908 -13.133 1.00 1.40 C ATOM 2043 CG GLN A 145 3.482 -7.732 -13.625 1.00 1.94 C ATOM 2044 CD GLN A 145 3.053 -9.187 -13.814 1.00 2.35 C ATOM 2045 OE1 GLN A 145 1.971 -9.456 -14.298 1.00 2.30 O ATOM 2046 NE2 GLN A 145 3.861 -10.145 -13.451 1.00 3.30 N ATOM 0 H GLN A 145 4.512 -5.517 -11.613 1.00 1.08 H new ATOM 0 HA GLN A 145 2.499 -4.821 -13.645 1.00 1.29 H new ATOM 0 HB2 GLN A 145 1.858 -7.371 -12.246 1.00 1.40 H new ATOM 0 HB3 GLN A 145 1.511 -6.889 -13.895 1.00 1.40 H new ATOM 0 HG2 GLN A 145 3.854 -7.326 -14.566 1.00 1.94 H new ATOM 0 HG3 GLN A 145 4.300 -7.673 -12.907 1.00 1.94 H new ATOM 0 HE21 GLN A 145 4.769 -9.920 -13.045 1.00 3.30 H new ATOM 0 HE22 GLN A 145 3.585 -11.119 -13.573 1.00 3.30 H new ATOM 2055 N VAL A 146 0.710 -4.912 -11.612 1.00 1.54 N ATOM 2056 CA VAL A 146 -0.065 -4.449 -10.428 1.00 1.53 C ATOM 2057 C VAL A 146 -1.562 -4.517 -10.740 1.00 1.48 C ATOM 2058 O VAL A 146 -2.029 -3.946 -11.706 1.00 1.44 O ATOM 2059 CB VAL A 146 0.322 -3.007 -10.096 1.00 1.59 C ATOM 2060 CG1 VAL A 146 -0.388 -2.052 -11.056 1.00 2.26 C ATOM 2061 CG2 VAL A 146 -0.092 -2.685 -8.659 1.00 2.16 C ATOM 0 H VAL A 146 0.149 -5.147 -12.431 1.00 1.54 H new ATOM 0 HA VAL A 146 0.158 -5.090 -9.575 1.00 1.53 H new ATOM 0 HB VAL A 146 1.401 -2.889 -10.199 1.00 1.59 H new ATOM 0 HG11 VAL A 146 -0.111 -1.025 -10.818 1.00 2.26 H new ATOM 0 HG12 VAL A 146 -0.093 -2.280 -12.080 1.00 2.26 H new ATOM 0 HG13 VAL A 146 -1.467 -2.170 -10.955 1.00 2.26 H new ATOM 0 HG21 VAL A 146 0.184 -1.657 -8.422 1.00 2.16 H new ATOM 0 HG22 VAL A 146 -1.171 -2.804 -8.556 1.00 2.16 H new ATOM 0 HG23 VAL A 146 0.415 -3.364 -7.973 1.00 2.16 H new ATOM 2071 N SER A 147 -2.322 -5.209 -9.932 1.00 1.63 N ATOM 2072 CA SER A 147 -3.785 -5.306 -10.196 1.00 1.76 C ATOM 2073 C SER A 147 -4.519 -5.685 -8.909 1.00 2.04 C ATOM 2074 O SER A 147 -3.911 -5.920 -7.882 1.00 2.17 O ATOM 2075 CB SER A 147 -4.041 -6.372 -11.262 1.00 2.02 C ATOM 2076 OG SER A 147 -2.851 -7.120 -11.473 1.00 2.76 O ATOM 0 H SER A 147 -1.994 -5.708 -9.105 1.00 1.63 H new ATOM 0 HA SER A 147 -4.152 -4.342 -10.548 1.00 1.76 H new ATOM 0 HB2 SER A 147 -4.848 -7.033 -10.946 1.00 2.02 H new ATOM 0 HB3 SER A 147 -4.359 -5.903 -12.193 1.00 2.02 H new ATOM 0 HG SER A 147 -3.023 -7.832 -12.124 1.00 2.76 H new ATOM 2082 N LEU A 148 -5.821 -5.747 -8.956 1.00 2.31 N ATOM 2083 CA LEU A 148 -6.598 -6.111 -7.737 1.00 2.65 C ATOM 2084 C LEU A 148 -7.947 -6.702 -8.152 1.00 2.54 C ATOM 2085 O LEU A 148 -8.130 -7.127 -9.275 1.00 3.02 O ATOM 2086 CB LEU A 148 -6.828 -4.860 -6.887 1.00 3.24 C ATOM 2087 CG LEU A 148 -7.607 -3.825 -7.702 1.00 3.51 C ATOM 2088 CD1 LEU A 148 -9.028 -3.702 -7.145 1.00 4.57 C ATOM 2089 CD2 LEU A 148 -6.906 -2.469 -7.607 1.00 3.26 C ATOM 0 H LEU A 148 -6.382 -5.561 -9.787 1.00 2.31 H new ATOM 0 HA LEU A 148 -6.042 -6.847 -7.156 1.00 2.65 H new ATOM 0 HB2 LEU A 148 -7.381 -5.118 -5.984 1.00 3.24 H new ATOM 0 HB3 LEU A 148 -5.873 -4.443 -6.568 1.00 3.24 H new ATOM 0 HG LEU A 148 -7.650 -4.141 -8.744 1.00 3.51 H new ATOM 0 HD11 LEU A 148 -9.584 -2.965 -7.725 1.00 4.57 H new ATOM 0 HD12 LEU A 148 -9.529 -4.668 -7.210 1.00 4.57 H new ATOM 0 HD13 LEU A 148 -8.984 -3.386 -6.103 1.00 4.57 H new ATOM 0 HD21 LEU A 148 -7.460 -1.731 -8.187 1.00 3.26 H new ATOM 0 HD22 LEU A 148 -6.864 -2.153 -6.565 1.00 3.26 H new ATOM 0 HD23 LEU A 148 -5.893 -2.554 -8.001 1.00 3.26 H new ATOM 2101 N THR A 149 -8.894 -6.731 -7.254 1.00 2.09 N ATOM 2102 CA THR A 149 -10.230 -7.293 -7.599 1.00 2.24 C ATOM 2103 C THR A 149 -11.026 -7.541 -6.317 1.00 1.93 C ATOM 2104 O THR A 149 -10.527 -7.372 -5.222 1.00 1.84 O ATOM 2105 CB THR A 149 -10.049 -8.613 -8.351 1.00 2.53 C ATOM 2106 OG1 THR A 149 -11.196 -9.429 -8.155 1.00 3.07 O ATOM 2107 CG2 THR A 149 -8.809 -9.338 -7.824 1.00 2.42 C ATOM 0 H THR A 149 -8.800 -6.390 -6.297 1.00 2.09 H new ATOM 0 HA THR A 149 -10.769 -6.586 -8.230 1.00 2.24 H new ATOM 0 HB THR A 149 -9.923 -8.411 -9.415 1.00 2.53 H new ATOM 0 HG1 THR A 149 -11.785 -9.358 -8.935 1.00 3.07 H new ATOM 0 HG21 THR A 149 -8.682 -10.278 -8.361 1.00 2.42 H new ATOM 0 HG22 THR A 149 -7.930 -8.712 -7.975 1.00 2.42 H new ATOM 0 HG23 THR A 149 -8.931 -9.541 -6.760 1.00 2.42 H new ATOM 2115 N THR A 150 -12.262 -7.942 -6.443 1.00 1.92 N ATOM 2116 CA THR A 150 -13.088 -8.200 -5.230 1.00 1.72 C ATOM 2117 C THR A 150 -13.615 -9.635 -5.271 1.00 1.75 C ATOM 2118 O THR A 150 -13.641 -10.330 -4.274 1.00 2.00 O ATOM 2119 CB THR A 150 -14.263 -7.217 -5.195 1.00 1.59 C ATOM 2120 OG1 THR A 150 -14.611 -6.945 -3.845 1.00 1.52 O ATOM 2121 CG2 THR A 150 -15.469 -7.813 -5.925 1.00 1.66 C ATOM 0 H THR A 150 -12.735 -8.102 -7.333 1.00 1.92 H new ATOM 0 HA THR A 150 -12.479 -8.065 -4.336 1.00 1.72 H new ATOM 0 HB THR A 150 -13.970 -6.292 -5.692 1.00 1.59 H new ATOM 0 HG1 THR A 150 -15.433 -7.426 -3.616 1.00 1.52 H new ATOM 0 HG21 THR A 150 -16.298 -7.107 -5.894 1.00 1.66 H new ATOM 0 HG22 THR A 150 -15.203 -8.015 -6.962 1.00 1.66 H new ATOM 0 HG23 THR A 150 -15.766 -8.742 -5.439 1.00 1.66 H new