USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 825 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 72 THR OG1 : rot 80:sc= 0.894 USER MOD Set 1.2: A 105 ASN :FLIP amide:sc= 0.75 F(o=-0.84,f=1.6) USER MOD Set 2.1: A 57 THR OG1 : rot 180:sc= 0.464 USER MOD Set 2.2: A 84 THR OG1 : rot -80:sc= 0.513 USER MOD Set 3.1: A 37 GLN : amide:sc= -1.57 K(o=-1.6,f=-3.7!) USER MOD Set 3.2: A 87 SER OG : rot 148:sc= -0.0403 USER MOD Set 4.1: A 17 TYR OH : rot -172:sc= 0.415 USER MOD Set 4.2: A 29 HIS : no HD1:sc= -2.17 K(o=-1.8,f=-3.4!) USER MOD Set 5.1: A 16 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-3.8!) USER MOD Set 5.2: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 12 THR OG1 : rot -78:sc= 0.294 USER MOD Set 6.2: A 32 SER OG : rot 180:sc= 0.11 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.0523 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.912 K(o=-0.91,f=-4!) USER MOD Single : A 13 GLN : amide:sc= -1.79 K(o=-1.8,f=-7!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.0928 K(o=-0.093,f=-0.67) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 26:sc= 0.772 USER MOD Single : A 40 LYS NZ :NH3+ -173:sc=-0.000994 (180deg=-0.0692) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0113) USER MOD Single : A 55 SER OG : rot 41:sc= 0.271 USER MOD Single : A 58 GLN : amide:sc= -0.546 X(o=-0.55,f=-0.11) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -145:sc= 0.884 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -163:sc= 0.427 (180deg=0.195) USER MOD Single : A 77 MET CE :methyl 172:sc= -0.0144 (180deg=-0.135) USER MOD Single : A 88 LYS NZ :NH3+ 169:sc= 0.0632 (180deg=-0.0742) USER MOD Single : A 89 ASN : amide:sc= -0.139 K(o=-0.14,f=-12!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN :FLIP amide:sc= -0.625 F(o=-1.2,f=-0.63) USER MOD Single : A 95 ASN : amide:sc= -1.56! C(o=-1.6!,f=-4.9!) USER MOD Single : A 102 TYR OH : rot 158:sc= -1.19 USER MOD Single : A 103 SER OG : rot 28:sc= 0.0532 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.764 -29.356 0.241 1.00 0.00 N ATOM 2 CA MET A 1 19.299 -29.181 0.263 1.00 0.00 C ATOM 3 C MET A 1 18.949 -27.693 0.470 1.00 0.00 C ATOM 4 O MET A 1 19.737 -26.934 1.046 1.00 0.00 O ATOM 5 CB MET A 1 18.655 -30.069 1.367 1.00 0.00 C ATOM 6 CG MET A 1 17.120 -30.175 1.289 1.00 0.00 C ATOM 7 SD MET A 1 16.397 -31.236 2.561 1.00 0.00 S ATOM 8 CE MET A 1 14.671 -31.289 2.036 1.00 0.00 C ATOM 0 H1 MET A 1 21.066 -29.633 -0.715 1.00 0.00 H new ATOM 0 H2 MET A 1 21.224 -28.461 0.504 1.00 0.00 H new ATOM 0 H3 MET A 1 21.035 -30.097 0.918 1.00 0.00 H new ATOM 0 HA MET A 1 18.891 -29.500 -0.696 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.079 -31.071 1.302 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.930 -29.669 2.343 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.691 -29.177 1.375 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.841 -30.558 0.308 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.099 -31.909 2.727 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.261 -30.279 2.030 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.609 -31.711 1.033 1.00 0.00 H new ATOM 20 N ILE A 2 17.762 -27.296 -0.019 1.00 0.00 N ATOM 21 CA ILE A 2 17.247 -25.911 0.038 1.00 0.00 C ATOM 22 C ILE A 2 15.912 -25.884 0.831 1.00 0.00 C ATOM 23 O ILE A 2 15.237 -26.914 0.955 1.00 0.00 O ATOM 24 CB ILE A 2 17.026 -25.364 -1.440 1.00 0.00 C ATOM 25 CG1 ILE A 2 18.367 -25.362 -2.257 1.00 0.00 C ATOM 26 CG2 ILE A 2 16.383 -23.957 -1.458 1.00 0.00 C ATOM 27 CD1 ILE A 2 19.453 -24.427 -1.730 1.00 0.00 C ATOM 0 H ILE A 2 17.117 -27.941 -0.476 1.00 0.00 H new ATOM 0 HA ILE A 2 17.969 -25.272 0.545 1.00 0.00 H new ATOM 0 HB ILE A 2 16.328 -26.050 -1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 2 18.763 -26.377 -2.276 1.00 0.00 H new ATOM 0 HG13 ILE A 2 18.144 -25.088 -3.288 1.00 0.00 H new ATOM 0 HG21 ILE A 2 16.254 -23.629 -2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 2 15.412 -23.994 -0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 2 17.030 -23.255 -0.933 1.00 0.00 H new ATOM 0 HD11 ILE A 2 20.336 -24.501 -2.364 1.00 0.00 H new ATOM 0 HD12 ILE A 2 19.085 -23.401 -1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 2 19.714 -24.710 -0.710 1.00 0.00 H new ATOM 39 N GLU A 3 15.533 -24.709 1.372 1.00 0.00 N ATOM 40 CA GLU A 3 14.183 -24.472 1.930 1.00 0.00 C ATOM 41 C GLU A 3 13.603 -23.179 1.310 1.00 0.00 C ATOM 42 O GLU A 3 14.376 -22.300 0.897 1.00 0.00 O ATOM 43 CB GLU A 3 14.205 -24.354 3.487 1.00 0.00 C ATOM 44 CG GLU A 3 14.874 -23.076 4.039 1.00 0.00 C ATOM 45 CD GLU A 3 14.626 -22.845 5.539 1.00 0.00 C ATOM 46 OE1 GLU A 3 13.542 -22.361 5.903 1.00 0.00 O ATOM 47 OE2 GLU A 3 15.509 -23.137 6.363 1.00 0.00 O ATOM 0 H GLU A 3 16.150 -23.899 1.435 1.00 0.00 H new ATOM 0 HA GLU A 3 13.555 -25.327 1.680 1.00 0.00 H new ATOM 0 HB2 GLU A 3 13.179 -24.395 3.853 1.00 0.00 H new ATOM 0 HB3 GLU A 3 14.724 -25.222 3.894 1.00 0.00 H new ATOM 0 HG2 GLU A 3 15.948 -23.134 3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 3 14.505 -22.214 3.482 1.00 0.00 H new ATOM 54 N PRO A 4 12.244 -23.045 1.183 1.00 0.00 N ATOM 55 CA PRO A 4 11.624 -21.756 0.834 1.00 0.00 C ATOM 56 C PRO A 4 11.593 -20.810 2.063 1.00 0.00 C ATOM 57 O PRO A 4 11.082 -21.172 3.129 1.00 0.00 O ATOM 58 CB PRO A 4 10.181 -22.141 0.367 1.00 0.00 C ATOM 59 CG PRO A 4 10.134 -23.655 0.371 1.00 0.00 C ATOM 60 CD PRO A 4 11.225 -24.115 1.315 1.00 0.00 C ATOM 0 HA PRO A 4 12.174 -21.216 0.063 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.429 -21.725 1.038 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.974 -21.746 -0.628 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.159 -24.012 0.701 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.296 -24.051 -0.632 1.00 0.00 H new ATOM 0 HD2 PRO A 4 10.863 -24.205 2.339 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.622 -25.089 1.031 1.00 0.00 H new ATOM 68 N ILE A 5 12.164 -19.622 1.903 1.00 0.00 N ATOM 69 CA ILE A 5 12.080 -18.514 2.886 1.00 0.00 C ATOM 70 C ILE A 5 11.301 -17.357 2.251 1.00 0.00 C ATOM 71 O ILE A 5 11.116 -17.345 1.033 1.00 0.00 O ATOM 72 CB ILE A 5 13.519 -18.029 3.337 1.00 0.00 C ATOM 73 CG1 ILE A 5 14.420 -17.755 2.089 1.00 0.00 C ATOM 74 CG2 ILE A 5 14.176 -19.039 4.300 1.00 0.00 C ATOM 75 CD1 ILE A 5 15.827 -17.282 2.382 1.00 0.00 C ATOM 0 H ILE A 5 12.712 -19.383 1.076 1.00 0.00 H new ATOM 0 HA ILE A 5 11.565 -18.868 3.779 1.00 0.00 H new ATOM 0 HB ILE A 5 13.407 -17.093 3.884 1.00 0.00 H new ATOM 0 HG12 ILE A 5 14.480 -18.670 1.500 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.928 -17.007 1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 5 15.162 -18.676 4.590 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.555 -19.152 5.188 1.00 0.00 H new ATOM 0 HG23 ILE A 5 14.276 -20.004 3.803 1.00 0.00 H new ATOM 0 HD11 ILE A 5 16.360 -17.124 1.445 1.00 0.00 H new ATOM 0 HD12 ILE A 5 15.788 -16.346 2.939 1.00 0.00 H new ATOM 0 HD13 ILE A 5 16.348 -18.035 2.973 1.00 0.00 H new ATOM 87 N LYS A 6 10.826 -16.402 3.078 1.00 0.00 N ATOM 88 CA LYS A 6 10.141 -15.192 2.580 1.00 0.00 C ATOM 89 C LYS A 6 10.141 -14.057 3.623 1.00 0.00 C ATOM 90 O LYS A 6 10.035 -14.299 4.828 1.00 0.00 O ATOM 91 CB LYS A 6 8.684 -15.473 2.081 1.00 0.00 C ATOM 92 CG LYS A 6 7.604 -15.731 3.163 1.00 0.00 C ATOM 93 CD LYS A 6 7.742 -17.087 3.886 1.00 0.00 C ATOM 94 CE LYS A 6 7.641 -18.291 2.934 1.00 0.00 C ATOM 95 NZ LYS A 6 7.514 -19.569 3.677 1.00 0.00 N ATOM 0 H LYS A 6 10.905 -16.446 4.094 1.00 0.00 H new ATOM 0 HA LYS A 6 10.721 -14.866 1.717 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.363 -14.623 1.479 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.714 -16.339 1.420 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.649 -14.932 3.903 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.620 -15.679 2.697 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.701 -17.120 4.404 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.966 -17.167 4.647 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.780 -18.165 2.278 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.525 -18.327 2.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.448 -20.358 3.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.348 -19.702 4.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.657 -19.545 4.266 1.00 0.00 H new ATOM 109 N ARG A 7 10.303 -12.824 3.118 1.00 0.00 N ATOM 110 CA ARG A 7 10.108 -11.572 3.868 1.00 0.00 C ATOM 111 C ARG A 7 8.815 -10.906 3.374 1.00 0.00 C ATOM 112 O ARG A 7 8.387 -11.150 2.239 1.00 0.00 O ATOM 113 CB ARG A 7 11.323 -10.625 3.665 1.00 0.00 C ATOM 114 CG ARG A 7 12.605 -11.041 4.403 1.00 0.00 C ATOM 115 CD ARG A 7 13.770 -10.064 4.161 1.00 0.00 C ATOM 116 NE ARG A 7 13.456 -8.688 4.611 1.00 0.00 N ATOM 117 CZ ARG A 7 14.355 -7.708 4.806 1.00 0.00 C ATOM 118 NH1 ARG A 7 15.654 -7.924 4.594 1.00 0.00 N ATOM 119 NH2 ARG A 7 13.945 -6.509 5.192 1.00 0.00 N ATOM 0 H ARG A 7 10.581 -12.665 2.150 1.00 0.00 H new ATOM 0 HA ARG A 7 10.028 -11.786 4.934 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.540 -10.562 2.599 1.00 0.00 H new ATOM 0 HB3 ARG A 7 11.042 -9.624 3.993 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.401 -11.100 5.472 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.899 -12.039 4.079 1.00 0.00 H new ATOM 0 HD2 ARG A 7 14.656 -10.422 4.686 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.013 -10.049 3.099 1.00 0.00 H new ATOM 0 HE ARG A 7 12.476 -8.466 4.788 1.00 0.00 H new ATOM 0 HH11 ARG A 7 15.974 -8.840 4.281 1.00 0.00 H new ATOM 0 HH12 ARG A 7 16.327 -7.173 4.745 1.00 0.00 H new ATOM 0 HH21 ARG A 7 12.951 -6.333 5.340 1.00 0.00 H new ATOM 0 HH22 ARG A 7 14.623 -5.762 5.341 1.00 0.00 H new ATOM 133 N THR A 8 8.204 -10.059 4.213 1.00 0.00 N ATOM 134 CA THR A 8 6.922 -9.415 3.908 1.00 0.00 C ATOM 135 C THR A 8 7.025 -7.901 4.137 1.00 0.00 C ATOM 136 O THR A 8 7.156 -7.448 5.282 1.00 0.00 O ATOM 137 CB THR A 8 5.789 -10.014 4.801 1.00 0.00 C ATOM 138 OG1 THR A 8 5.772 -11.441 4.655 1.00 0.00 O ATOM 139 CG2 THR A 8 4.408 -9.440 4.437 1.00 0.00 C ATOM 0 H THR A 8 8.586 -9.802 5.123 1.00 0.00 H new ATOM 0 HA THR A 8 6.679 -9.600 2.862 1.00 0.00 H new ATOM 0 HB THR A 8 5.998 -9.743 5.836 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.063 -11.819 5.216 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.649 -9.883 5.081 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.416 -8.359 4.575 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.181 -9.671 3.396 1.00 0.00 H new ATOM 147 N GLN A 9 7.028 -7.137 3.043 1.00 0.00 N ATOM 148 CA GLN A 9 6.973 -5.668 3.079 1.00 0.00 C ATOM 149 C GLN A 9 5.528 -5.221 2.839 1.00 0.00 C ATOM 150 O GLN A 9 4.944 -5.559 1.810 1.00 0.00 O ATOM 151 CB GLN A 9 7.893 -5.081 1.984 1.00 0.00 C ATOM 152 CG GLN A 9 8.099 -3.552 2.013 1.00 0.00 C ATOM 153 CD GLN A 9 8.964 -3.070 3.196 1.00 0.00 C ATOM 154 OE1 GLN A 9 8.936 -3.611 4.303 1.00 0.00 O ATOM 155 NE2 GLN A 9 9.796 -2.091 2.951 1.00 0.00 N ATOM 0 H GLN A 9 7.069 -7.520 2.098 1.00 0.00 H new ATOM 0 HA GLN A 9 7.313 -5.310 4.051 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.869 -5.560 2.064 1.00 0.00 H new ATOM 0 HB3 GLN A 9 7.484 -5.353 1.011 1.00 0.00 H new ATOM 0 HG2 GLN A 9 8.567 -3.239 1.080 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.126 -3.063 2.062 1.00 0.00 H new ATOM 0 HE21 GLN A 9 9.809 -1.651 2.031 1.00 0.00 H new ATOM 0 HE22 GLN A 9 10.431 -1.767 3.680 1.00 0.00 H new ATOM 164 N VAL A 10 4.943 -4.488 3.793 1.00 0.00 N ATOM 165 CA VAL A 10 3.559 -4.004 3.681 1.00 0.00 C ATOM 166 C VAL A 10 3.526 -2.483 3.436 1.00 0.00 C ATOM 167 O VAL A 10 4.281 -1.721 4.059 1.00 0.00 O ATOM 168 CB VAL A 10 2.694 -4.399 4.936 1.00 0.00 C ATOM 169 CG1 VAL A 10 2.604 -5.944 5.072 1.00 0.00 C ATOM 170 CG2 VAL A 10 3.224 -3.745 6.240 1.00 0.00 C ATOM 0 H VAL A 10 5.409 -4.214 4.658 1.00 0.00 H new ATOM 0 HA VAL A 10 3.111 -4.496 2.818 1.00 0.00 H new ATOM 0 HB VAL A 10 1.688 -4.010 4.778 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.002 -6.198 5.945 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.141 -6.362 4.178 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.606 -6.358 5.189 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.596 -4.046 7.079 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.249 -4.069 6.419 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.199 -2.660 6.139 1.00 0.00 H new ATOM 180 N VAL A 11 2.684 -2.059 2.480 1.00 0.00 N ATOM 181 CA VAL A 11 2.419 -0.637 2.201 1.00 0.00 C ATOM 182 C VAL A 11 1.092 -0.264 2.854 1.00 0.00 C ATOM 183 O VAL A 11 0.022 -0.625 2.349 1.00 0.00 O ATOM 184 CB VAL A 11 2.367 -0.351 0.651 1.00 0.00 C ATOM 185 CG1 VAL A 11 1.906 1.098 0.353 1.00 0.00 C ATOM 186 CG2 VAL A 11 3.738 -0.642 0.001 1.00 0.00 C ATOM 0 H VAL A 11 2.165 -2.696 1.875 1.00 0.00 H new ATOM 0 HA VAL A 11 3.229 -0.033 2.610 1.00 0.00 H new ATOM 0 HB VAL A 11 1.628 -1.022 0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.882 1.258 -0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.909 1.255 0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.602 1.802 0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.684 -0.439 -1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.498 -0.004 0.453 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.001 -1.688 0.159 1.00 0.00 H new ATOM 196 N THR A 12 1.168 0.446 3.977 1.00 0.00 N ATOM 197 CA THR A 12 0.000 0.798 4.776 1.00 0.00 C ATOM 198 C THR A 12 -0.331 2.288 4.592 1.00 0.00 C ATOM 199 O THR A 12 0.518 3.150 4.831 1.00 0.00 O ATOM 200 CB THR A 12 0.264 0.475 6.280 1.00 0.00 C ATOM 201 OG1 THR A 12 0.692 -0.894 6.412 1.00 0.00 O ATOM 202 CG2 THR A 12 -0.974 0.701 7.154 1.00 0.00 C ATOM 0 H THR A 12 2.047 0.795 4.359 1.00 0.00 H new ATOM 0 HA THR A 12 -0.854 0.209 4.441 1.00 0.00 H new ATOM 0 HB THR A 12 1.042 1.157 6.625 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.085 -1.488 6.344 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.736 0.462 8.191 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.283 1.744 7.084 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.784 0.058 6.810 1.00 0.00 H new ATOM 210 N GLN A 13 -1.546 2.573 4.108 1.00 0.00 N ATOM 211 CA GLN A 13 -2.127 3.933 4.110 1.00 0.00 C ATOM 212 C GLN A 13 -3.213 3.986 5.189 1.00 0.00 C ATOM 213 O GLN A 13 -4.089 3.117 5.220 1.00 0.00 O ATOM 214 CB GLN A 13 -2.742 4.278 2.725 1.00 0.00 C ATOM 215 CG GLN A 13 -1.744 4.270 1.554 1.00 0.00 C ATOM 216 CD GLN A 13 -0.678 5.357 1.617 1.00 0.00 C ATOM 217 OE1 GLN A 13 -0.915 6.459 2.115 1.00 0.00 O ATOM 218 NE2 GLN A 13 0.510 5.056 1.107 1.00 0.00 N ATOM 0 H GLN A 13 -2.161 1.868 3.701 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.344 4.662 4.317 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.538 3.566 2.510 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.203 5.264 2.784 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.251 3.298 1.522 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.298 4.378 0.622 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.672 4.134 0.702 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.260 5.747 1.120 1.00 0.00 H new ATOM 227 N THR A 14 -3.131 4.970 6.092 1.00 0.00 N ATOM 228 CA THR A 14 -4.190 5.253 7.070 1.00 0.00 C ATOM 229 C THR A 14 -5.089 6.341 6.473 1.00 0.00 C ATOM 230 O THR A 14 -4.678 7.496 6.448 1.00 0.00 O ATOM 231 CB THR A 14 -3.561 5.753 8.420 1.00 0.00 C ATOM 232 OG1 THR A 14 -2.619 4.780 8.900 1.00 0.00 O ATOM 233 CG2 THR A 14 -4.616 6.018 9.510 1.00 0.00 C ATOM 0 H THR A 14 -2.327 5.594 6.166 1.00 0.00 H new ATOM 0 HA THR A 14 -4.766 4.352 7.281 1.00 0.00 H new ATOM 0 HB THR A 14 -3.066 6.701 8.210 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.225 5.093 9.741 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.122 6.361 10.419 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.312 6.783 9.165 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.162 5.098 9.719 1.00 0.00 H new ATOM 241 N ILE A 15 -6.293 5.972 5.970 1.00 0.00 N ATOM 242 CA ILE A 15 -7.192 6.930 5.279 1.00 0.00 C ATOM 243 C ILE A 15 -8.133 7.612 6.294 1.00 0.00 C ATOM 244 O ILE A 15 -8.868 6.942 7.054 1.00 0.00 O ATOM 245 CB ILE A 15 -8.066 6.311 4.100 1.00 0.00 C ATOM 246 CG1 ILE A 15 -7.200 5.763 2.915 1.00 0.00 C ATOM 247 CG2 ILE A 15 -9.053 7.376 3.544 1.00 0.00 C ATOM 248 CD1 ILE A 15 -6.286 4.602 3.220 1.00 0.00 C ATOM 0 H ILE A 15 -6.663 5.023 6.029 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.519 7.650 4.813 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.608 5.471 4.534 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -7.874 5.463 2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.592 6.582 2.531 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.644 6.939 2.739 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.717 7.709 4.342 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.491 8.228 3.161 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.744 4.319 2.318 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.576 4.892 3.994 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.877 3.755 3.569 1.00 0.00 H new ATOM 260 N HIS A 16 -8.095 8.953 6.267 1.00 0.00 N ATOM 261 CA HIS A 16 -8.961 9.838 7.040 1.00 0.00 C ATOM 262 C HIS A 16 -9.860 10.578 6.035 1.00 0.00 C ATOM 263 O HIS A 16 -9.366 11.404 5.256 1.00 0.00 O ATOM 264 CB HIS A 16 -8.111 10.863 7.849 1.00 0.00 C ATOM 265 CG HIS A 16 -6.978 10.261 8.656 1.00 0.00 C ATOM 266 ND1 HIS A 16 -7.018 10.100 10.019 1.00 0.00 N ATOM 267 CD2 HIS A 16 -5.768 9.785 8.275 1.00 0.00 C ATOM 268 CE1 HIS A 16 -5.904 9.552 10.434 1.00 0.00 C ATOM 269 NE2 HIS A 16 -5.128 9.349 9.401 1.00 0.00 N ATOM 0 H HIS A 16 -7.433 9.464 5.682 1.00 0.00 H new ATOM 0 HA HIS A 16 -9.556 9.266 7.752 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.695 11.594 7.156 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.771 11.405 8.526 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -5.381 9.756 7.267 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -5.665 9.308 11.459 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -4.197 8.933 9.431 1.00 0.00 H new ATOM 278 N TYR A 17 -11.154 10.247 6.003 1.00 0.00 N ATOM 279 CA TYR A 17 -12.132 10.975 5.179 1.00 0.00 C ATOM 280 C TYR A 17 -12.527 12.236 5.945 1.00 0.00 C ATOM 281 O TYR A 17 -13.085 12.144 7.045 1.00 0.00 O ATOM 282 CB TYR A 17 -13.380 10.115 4.872 1.00 0.00 C ATOM 283 CG TYR A 17 -13.053 8.775 4.217 1.00 0.00 C ATOM 284 CD1 TYR A 17 -12.635 8.706 2.894 1.00 0.00 C ATOM 285 CD2 TYR A 17 -13.141 7.582 4.928 1.00 0.00 C ATOM 286 CE1 TYR A 17 -12.315 7.504 2.307 1.00 0.00 C ATOM 287 CE2 TYR A 17 -12.829 6.380 4.341 1.00 0.00 C ATOM 288 CZ TYR A 17 -12.419 6.338 3.033 1.00 0.00 C ATOM 289 OH TYR A 17 -12.093 5.127 2.458 1.00 0.00 O ATOM 0 H TYR A 17 -11.553 9.477 6.540 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.685 11.226 4.217 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -13.923 9.934 5.800 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -14.046 10.677 4.217 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -12.560 9.614 2.315 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -13.460 7.602 5.960 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -11.983 7.474 1.280 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.907 5.466 4.911 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.346 4.399 3.063 1.00 0.00 H new ATOM 299 N ARG A 18 -12.184 13.394 5.387 1.00 0.00 N ATOM 300 CA ARG A 18 -12.416 14.710 6.010 1.00 0.00 C ATOM 301 C ARG A 18 -13.066 15.642 4.997 1.00 0.00 C ATOM 302 O ARG A 18 -12.969 15.400 3.806 1.00 0.00 O ATOM 303 CB ARG A 18 -11.065 15.312 6.493 1.00 0.00 C ATOM 304 CG ARG A 18 -10.369 14.516 7.612 1.00 0.00 C ATOM 305 CD ARG A 18 -11.227 14.439 8.882 1.00 0.00 C ATOM 306 NE ARG A 18 -10.525 13.793 9.992 1.00 0.00 N ATOM 307 CZ ARG A 18 -10.114 14.409 11.103 1.00 0.00 C ATOM 308 NH1 ARG A 18 -10.331 15.702 11.282 1.00 0.00 N ATOM 309 NH2 ARG A 18 -9.509 13.718 12.050 1.00 0.00 N ATOM 0 H ARG A 18 -11.730 13.454 4.476 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.077 14.592 6.869 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.389 15.382 5.641 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.241 16.329 6.844 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.153 13.508 7.259 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.413 14.983 7.848 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.522 15.445 9.179 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -12.143 13.889 8.666 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.335 12.794 9.910 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.818 16.241 10.566 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.011 16.159 12.136 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.356 12.716 11.932 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.194 14.185 12.900 1.00 0.00 H new ATOM 323 N TYR A 19 -13.718 16.706 5.483 1.00 0.00 N ATOM 324 CA TYR A 19 -14.264 17.777 4.627 1.00 0.00 C ATOM 325 C TYR A 19 -13.190 18.854 4.402 1.00 0.00 C ATOM 326 O TYR A 19 -12.102 18.792 4.991 1.00 0.00 O ATOM 327 CB TYR A 19 -15.530 18.396 5.278 1.00 0.00 C ATOM 328 CG TYR A 19 -16.680 17.403 5.454 1.00 0.00 C ATOM 329 CD1 TYR A 19 -17.565 17.122 4.410 1.00 0.00 C ATOM 330 CD2 TYR A 19 -16.885 16.738 6.663 1.00 0.00 C ATOM 331 CE1 TYR A 19 -18.603 16.221 4.575 1.00 0.00 C ATOM 332 CE2 TYR A 19 -17.915 15.839 6.830 1.00 0.00 C ATOM 333 CZ TYR A 19 -18.771 15.582 5.785 1.00 0.00 C ATOM 334 OH TYR A 19 -19.795 14.677 5.950 1.00 0.00 O ATOM 0 H TYR A 19 -13.884 16.852 6.479 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.550 17.355 3.663 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -15.263 18.806 6.252 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.872 19.230 4.665 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -17.437 17.616 3.458 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -16.218 16.933 7.490 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -19.280 16.019 3.758 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -18.050 15.338 7.777 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.770 14.318 6.861 1.00 0.00 H new ATOM 344 N GLU A 20 -13.505 19.836 3.548 1.00 0.00 N ATOM 345 CA GLU A 20 -12.654 21.038 3.349 1.00 0.00 C ATOM 346 C GLU A 20 -12.646 21.910 4.617 1.00 0.00 C ATOM 347 O GLU A 20 -11.682 22.638 4.880 1.00 0.00 O ATOM 348 CB GLU A 20 -13.136 21.852 2.116 1.00 0.00 C ATOM 349 CG GLU A 20 -14.624 22.252 2.168 1.00 0.00 C ATOM 350 CD GLU A 20 -14.967 23.477 1.310 1.00 0.00 C ATOM 351 OE1 GLU A 20 -15.044 23.358 0.074 1.00 0.00 O ATOM 352 OE2 GLU A 20 -15.178 24.564 1.882 1.00 0.00 O ATOM 0 H GLU A 20 -14.349 19.830 2.975 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.632 20.710 3.158 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.531 22.755 2.031 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.960 21.264 1.215 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.229 21.408 1.838 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.900 22.456 3.203 1.00 0.00 H new ATOM 359 N ASP A 21 -13.740 21.796 5.392 1.00 0.00 N ATOM 360 CA ASP A 21 -13.894 22.403 6.725 1.00 0.00 C ATOM 361 C ASP A 21 -12.959 21.719 7.764 1.00 0.00 C ATOM 362 O ASP A 21 -12.631 22.304 8.803 1.00 0.00 O ATOM 363 CB ASP A 21 -15.390 22.262 7.121 1.00 0.00 C ATOM 364 CG ASP A 21 -15.721 22.753 8.541 1.00 0.00 C ATOM 365 OD1 ASP A 21 -15.844 23.980 8.748 1.00 0.00 O ATOM 366 OD2 ASP A 21 -15.877 21.912 9.457 1.00 0.00 O ATOM 0 H ASP A 21 -14.561 21.266 5.101 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.607 23.454 6.706 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.996 22.819 6.407 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.679 21.214 7.036 1.00 0.00 H new ATOM 371 N GLY A 22 -12.500 20.494 7.437 1.00 0.00 N ATOM 372 CA GLY A 22 -11.617 19.713 8.312 1.00 0.00 C ATOM 373 C GLY A 22 -12.366 18.729 9.200 1.00 0.00 C ATOM 374 O GLY A 22 -11.744 17.976 9.961 1.00 0.00 O ATOM 0 H GLY A 22 -12.733 20.024 6.562 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.901 19.166 7.699 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.044 20.395 8.940 1.00 0.00 H new ATOM 378 N ALA A 23 -13.710 18.728 9.090 1.00 0.00 N ATOM 379 CA ALA A 23 -14.588 17.878 9.906 1.00 0.00 C ATOM 380 C ALA A 23 -14.475 16.406 9.487 1.00 0.00 C ATOM 381 O ALA A 23 -14.178 16.112 8.326 1.00 0.00 O ATOM 382 CB ALA A 23 -16.042 18.366 9.788 1.00 0.00 C ATOM 0 H ALA A 23 -14.214 19.320 8.430 1.00 0.00 H new ATOM 0 HA ALA A 23 -14.273 17.951 10.947 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -16.689 17.732 10.395 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -16.110 19.396 10.139 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -16.359 18.316 8.746 1.00 0.00 H new ATOM 388 N VAL A 24 -14.735 15.501 10.437 1.00 0.00 N ATOM 389 CA VAL A 24 -14.668 14.047 10.213 1.00 0.00 C ATOM 390 C VAL A 24 -15.868 13.583 9.365 1.00 0.00 C ATOM 391 O VAL A 24 -17.020 13.718 9.790 1.00 0.00 O ATOM 392 CB VAL A 24 -14.628 13.260 11.580 1.00 0.00 C ATOM 393 CG1 VAL A 24 -14.545 11.727 11.352 1.00 0.00 C ATOM 394 CG2 VAL A 24 -13.460 13.760 12.467 1.00 0.00 C ATOM 0 H VAL A 24 -14.999 15.755 11.389 1.00 0.00 H new ATOM 0 HA VAL A 24 -13.746 13.831 9.673 1.00 0.00 H new ATOM 0 HB VAL A 24 -15.562 13.459 12.106 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -14.519 11.217 12.315 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -15.417 11.395 10.789 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -13.640 11.491 10.792 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -13.451 13.204 13.404 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -12.515 13.607 11.945 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -13.591 14.822 12.676 1.00 0.00 H new ATOM 404 N ALA A 25 -15.583 13.093 8.148 1.00 0.00 N ATOM 405 CA ALA A 25 -16.562 12.379 7.314 1.00 0.00 C ATOM 406 C ALA A 25 -16.601 10.902 7.753 1.00 0.00 C ATOM 407 O ALA A 25 -17.679 10.332 7.952 1.00 0.00 O ATOM 408 CB ALA A 25 -16.206 12.523 5.827 1.00 0.00 C ATOM 0 H ALA A 25 -14.664 13.181 7.714 1.00 0.00 H new ATOM 0 HA ALA A 25 -17.554 12.810 7.446 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -16.940 11.989 5.224 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -16.209 13.578 5.553 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -15.216 12.104 5.648 1.00 0.00 H new ATOM 414 N HIS A 26 -15.395 10.312 7.934 1.00 0.00 N ATOM 415 CA HIS A 26 -15.201 8.958 8.506 1.00 0.00 C ATOM 416 C HIS A 26 -13.685 8.722 8.683 1.00 0.00 C ATOM 417 O HIS A 26 -12.931 8.862 7.727 1.00 0.00 O ATOM 418 CB HIS A 26 -15.832 7.862 7.602 1.00 0.00 C ATOM 419 CG HIS A 26 -15.877 6.497 8.221 1.00 0.00 C ATOM 420 ND1 HIS A 26 -16.866 6.102 9.090 1.00 0.00 N ATOM 421 CD2 HIS A 26 -15.052 5.432 8.091 1.00 0.00 C ATOM 422 CE1 HIS A 26 -16.649 4.861 9.466 1.00 0.00 C ATOM 423 NE2 HIS A 26 -15.557 4.423 8.874 1.00 0.00 N ATOM 0 H HIS A 26 -14.518 10.769 7.683 1.00 0.00 H new ATOM 0 HA HIS A 26 -15.704 8.895 9.471 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -16.847 8.163 7.342 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -15.267 7.807 6.671 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -14.160 5.384 7.483 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -17.265 4.294 10.148 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -15.154 3.492 8.979 1.00 0.00 H new ATOM 432 N ASP A 27 -13.223 8.348 9.884 1.00 0.00 N ATOM 433 CA ASP A 27 -11.780 8.394 10.210 1.00 0.00 C ATOM 434 C ASP A 27 -11.314 7.071 10.857 1.00 0.00 C ATOM 435 O ASP A 27 -11.359 6.943 12.089 1.00 0.00 O ATOM 436 CB ASP A 27 -11.534 9.603 11.162 1.00 0.00 C ATOM 437 CG ASP A 27 -10.057 10.001 11.304 1.00 0.00 C ATOM 438 OD1 ASP A 27 -9.269 9.257 11.930 1.00 0.00 O ATOM 439 OD2 ASP A 27 -9.678 11.077 10.805 1.00 0.00 O ATOM 0 H ASP A 27 -13.816 8.013 10.643 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.199 8.520 9.297 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -12.096 10.461 10.794 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.930 9.361 12.148 1.00 0.00 H new ATOM 444 N ASP A 28 -10.903 6.079 10.015 1.00 0.00 N ATOM 445 CA ASP A 28 -10.367 4.766 10.494 1.00 0.00 C ATOM 446 C ASP A 28 -9.991 3.798 9.354 1.00 0.00 C ATOM 447 O ASP A 28 -9.556 2.675 9.645 1.00 0.00 O ATOM 448 CB ASP A 28 -11.368 4.034 11.456 1.00 0.00 C ATOM 449 CG ASP A 28 -12.759 3.807 10.817 1.00 0.00 C ATOM 450 OD1 ASP A 28 -12.983 2.769 10.161 1.00 0.00 O ATOM 451 OD2 ASP A 28 -13.636 4.682 10.970 1.00 0.00 O ATOM 0 H ASP A 28 -10.932 6.163 8.999 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.457 5.028 11.034 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.946 3.072 11.748 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.484 4.621 12.367 1.00 0.00 H new ATOM 456 N HIS A 29 -10.119 4.191 8.065 1.00 0.00 N ATOM 457 CA HIS A 29 -9.987 3.217 6.948 1.00 0.00 C ATOM 458 C HIS A 29 -8.520 2.988 6.578 1.00 0.00 C ATOM 459 O HIS A 29 -7.984 3.626 5.685 1.00 0.00 O ATOM 460 CB HIS A 29 -10.843 3.636 5.713 1.00 0.00 C ATOM 461 CG HIS A 29 -12.289 3.242 5.825 1.00 0.00 C ATOM 462 ND1 HIS A 29 -13.155 3.245 4.754 1.00 0.00 N ATOM 463 CD2 HIS A 29 -13.022 2.830 6.890 1.00 0.00 C ATOM 464 CE1 HIS A 29 -14.342 2.850 5.155 1.00 0.00 C ATOM 465 NE2 HIS A 29 -14.293 2.592 6.440 1.00 0.00 N ATOM 0 H HIS A 29 -10.309 5.150 7.774 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.383 2.263 7.297 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -10.778 4.717 5.585 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.419 3.183 4.817 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.669 2.712 7.904 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -15.216 2.753 4.528 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -15.074 2.267 7.011 1.00 0.00 H new ATOM 474 N VAL A 30 -7.882 2.064 7.302 1.00 0.00 N ATOM 475 CA VAL A 30 -6.476 1.713 7.108 1.00 0.00 C ATOM 476 C VAL A 30 -6.390 0.489 6.175 1.00 0.00 C ATOM 477 O VAL A 30 -6.954 -0.563 6.490 1.00 0.00 O ATOM 478 CB VAL A 30 -5.791 1.406 8.490 1.00 0.00 C ATOM 479 CG1 VAL A 30 -4.282 1.151 8.311 1.00 0.00 C ATOM 480 CG2 VAL A 30 -6.053 2.544 9.508 1.00 0.00 C ATOM 0 H VAL A 30 -8.334 1.534 8.047 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.949 2.552 6.653 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.237 0.496 8.892 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.831 0.941 9.281 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.133 0.298 7.649 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.813 2.034 7.876 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.568 2.305 10.454 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.650 3.479 9.120 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.126 2.650 9.667 1.00 0.00 H new ATOM 490 N VAL A 31 -5.721 0.646 5.026 1.00 0.00 N ATOM 491 CA VAL A 31 -5.480 -0.442 4.059 1.00 0.00 C ATOM 492 C VAL A 31 -3.972 -0.759 4.023 1.00 0.00 C ATOM 493 O VAL A 31 -3.144 0.126 4.272 1.00 0.00 O ATOM 494 CB VAL A 31 -5.998 -0.054 2.622 1.00 0.00 C ATOM 495 CG1 VAL A 31 -5.259 1.187 2.057 1.00 0.00 C ATOM 496 CG2 VAL A 31 -5.941 -1.258 1.641 1.00 0.00 C ATOM 0 H VAL A 31 -5.326 1.540 4.735 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.033 -1.326 4.377 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.048 0.221 2.726 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.646 1.421 1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.419 2.038 2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.192 0.975 1.989 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.307 -0.948 0.662 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.912 -1.605 1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.565 -2.067 2.021 1.00 0.00 H new ATOM 506 N SER A 32 -3.626 -2.024 3.733 1.00 0.00 N ATOM 507 CA SER A 32 -2.235 -2.488 3.650 1.00 0.00 C ATOM 508 C SER A 32 -2.091 -3.491 2.496 1.00 0.00 C ATOM 509 O SER A 32 -2.958 -4.354 2.307 1.00 0.00 O ATOM 510 CB SER A 32 -1.812 -3.141 4.982 1.00 0.00 C ATOM 511 OG SER A 32 -2.028 -2.260 6.075 1.00 0.00 O ATOM 0 H SER A 32 -4.310 -2.757 3.548 1.00 0.00 H new ATOM 0 HA SER A 32 -1.585 -1.634 3.461 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.377 -4.061 5.135 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.759 -3.418 4.937 1.00 0.00 H new ATOM 0 HG SER A 32 -1.753 -2.698 6.907 1.00 0.00 H new ATOM 517 N LEU A 33 -1.010 -3.360 1.705 1.00 0.00 N ATOM 518 CA LEU A 33 -0.674 -4.327 0.642 1.00 0.00 C ATOM 519 C LEU A 33 0.474 -5.212 1.103 1.00 0.00 C ATOM 520 O LEU A 33 1.541 -4.705 1.442 1.00 0.00 O ATOM 521 CB LEU A 33 -0.272 -3.626 -0.670 1.00 0.00 C ATOM 522 CG LEU A 33 -1.339 -2.743 -1.362 1.00 0.00 C ATOM 523 CD1 LEU A 33 -0.851 -2.332 -2.768 1.00 0.00 C ATOM 524 CD2 LEU A 33 -2.725 -3.436 -1.411 1.00 0.00 C ATOM 0 H LEU A 33 -0.349 -2.587 1.783 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.565 -4.924 0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.599 -3.004 -0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.042 -4.392 -1.379 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.473 -1.840 -0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.607 -1.711 -3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.079 -1.769 -2.680 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.679 -3.225 -3.369 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.442 -2.780 -1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.645 -4.370 -1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.063 -3.645 -0.396 1.00 0.00 H new ATOM 536 N ILE A 34 0.255 -6.524 1.077 1.00 0.00 N ATOM 537 CA ILE A 34 1.248 -7.518 1.471 1.00 0.00 C ATOM 538 C ILE A 34 2.098 -7.882 0.237 1.00 0.00 C ATOM 539 O ILE A 34 1.586 -8.460 -0.734 1.00 0.00 O ATOM 540 CB ILE A 34 0.555 -8.797 2.105 1.00 0.00 C ATOM 541 CG1 ILE A 34 -0.065 -8.470 3.521 1.00 0.00 C ATOM 542 CG2 ILE A 34 1.531 -10.005 2.188 1.00 0.00 C ATOM 543 CD1 ILE A 34 -1.309 -7.582 3.522 1.00 0.00 C ATOM 0 H ILE A 34 -0.630 -6.932 0.777 1.00 0.00 H new ATOM 0 HA ILE A 34 1.898 -7.103 2.241 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.259 -9.083 1.439 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.315 -9.411 4.012 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.701 -7.988 4.128 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.016 -10.859 2.628 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.875 -10.265 1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.387 -9.739 2.808 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.644 -7.426 4.547 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.070 -6.620 3.069 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.101 -8.065 2.951 1.00 0.00 H new ATOM 555 N PHE A 35 3.376 -7.468 0.261 1.00 0.00 N ATOM 556 CA PHE A 35 4.382 -7.836 -0.755 1.00 0.00 C ATOM 557 C PHE A 35 5.344 -8.873 -0.163 1.00 0.00 C ATOM 558 O PHE A 35 6.245 -8.530 0.607 1.00 0.00 O ATOM 559 CB PHE A 35 5.159 -6.587 -1.230 1.00 0.00 C ATOM 560 CG PHE A 35 4.293 -5.545 -1.917 1.00 0.00 C ATOM 561 CD1 PHE A 35 4.059 -5.608 -3.291 1.00 0.00 C ATOM 562 CD2 PHE A 35 3.727 -4.495 -1.199 1.00 0.00 C ATOM 563 CE1 PHE A 35 3.290 -4.656 -3.921 1.00 0.00 C ATOM 564 CE2 PHE A 35 2.962 -3.543 -1.837 1.00 0.00 C ATOM 565 CZ PHE A 35 2.743 -3.621 -3.192 1.00 0.00 C ATOM 0 H PHE A 35 3.746 -6.862 0.993 1.00 0.00 H new ATOM 0 HA PHE A 35 3.876 -8.266 -1.620 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.649 -6.128 -0.371 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.946 -6.900 -1.916 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.487 -6.414 -3.868 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.889 -4.426 -0.133 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.115 -4.719 -4.985 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.532 -2.731 -1.269 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.142 -2.871 -3.686 1.00 0.00 H new ATOM 575 N THR A 36 5.130 -10.138 -0.517 1.00 0.00 N ATOM 576 CA THR A 36 5.905 -11.256 0.020 1.00 0.00 C ATOM 577 C THR A 36 7.033 -11.647 -0.947 1.00 0.00 C ATOM 578 O THR A 36 6.777 -12.254 -1.994 1.00 0.00 O ATOM 579 CB THR A 36 4.965 -12.469 0.290 1.00 0.00 C ATOM 580 OG1 THR A 36 3.887 -12.040 1.134 1.00 0.00 O ATOM 581 CG2 THR A 36 5.689 -13.638 0.964 1.00 0.00 C ATOM 0 H THR A 36 4.413 -10.418 -1.186 1.00 0.00 H new ATOM 0 HA THR A 36 6.361 -10.949 0.961 1.00 0.00 H new ATOM 0 HB THR A 36 4.599 -12.823 -0.674 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.288 -12.796 1.309 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.986 -14.455 1.128 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.501 -13.981 0.323 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.095 -13.311 1.921 1.00 0.00 H new ATOM 589 N GLN A 37 8.276 -11.244 -0.619 1.00 0.00 N ATOM 590 CA GLN A 37 9.463 -11.665 -1.376 1.00 0.00 C ATOM 591 C GLN A 37 9.959 -13.009 -0.864 1.00 0.00 C ATOM 592 O GLN A 37 10.609 -13.075 0.187 1.00 0.00 O ATOM 593 CB GLN A 37 10.606 -10.625 -1.300 1.00 0.00 C ATOM 594 CG GLN A 37 11.885 -11.056 -2.065 1.00 0.00 C ATOM 595 CD GLN A 37 13.007 -10.031 -2.063 1.00 0.00 C ATOM 596 OE1 GLN A 37 14.177 -10.394 -2.089 1.00 0.00 O ATOM 597 NE2 GLN A 37 12.675 -8.756 -2.091 1.00 0.00 N ATOM 0 H GLN A 37 8.480 -10.627 0.167 1.00 0.00 H new ATOM 0 HA GLN A 37 9.165 -11.752 -2.421 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.252 -9.677 -1.705 1.00 0.00 H new ATOM 0 HB3 GLN A 37 10.859 -10.450 -0.254 1.00 0.00 H new ATOM 0 HG2 GLN A 37 12.258 -11.982 -1.628 1.00 0.00 H new ATOM 0 HG3 GLN A 37 11.616 -11.277 -3.098 1.00 0.00 H new ATOM 0 HE21 GLN A 37 11.692 -8.484 -2.068 1.00 0.00 H new ATOM 0 HE22 GLN A 37 13.401 -8.041 -2.136 1.00 0.00 H new ATOM 606 N SER A 38 9.630 -14.075 -1.587 1.00 0.00 N ATOM 607 CA SER A 38 10.183 -15.392 -1.313 1.00 0.00 C ATOM 608 C SER A 38 11.590 -15.492 -1.916 1.00 0.00 C ATOM 609 O SER A 38 11.842 -15.028 -3.034 1.00 0.00 O ATOM 610 CB SER A 38 9.265 -16.501 -1.867 1.00 0.00 C ATOM 611 OG SER A 38 9.684 -17.793 -1.435 1.00 0.00 O ATOM 0 H SER A 38 8.979 -14.049 -2.372 1.00 0.00 H new ATOM 0 HA SER A 38 10.250 -15.531 -0.234 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.240 -16.322 -1.541 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.264 -16.463 -2.956 1.00 0.00 H new ATOM 0 HG SER A 38 10.168 -17.713 -0.587 1.00 0.00 H new ATOM 617 N GLY A 39 12.493 -16.047 -1.123 1.00 0.00 N ATOM 618 CA GLY A 39 13.816 -16.456 -1.562 1.00 0.00 C ATOM 619 C GLY A 39 14.020 -17.933 -1.296 1.00 0.00 C ATOM 620 O GLY A 39 13.054 -18.666 -1.012 1.00 0.00 O ATOM 0 H GLY A 39 12.322 -16.229 -0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 39 13.934 -16.251 -2.626 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.576 -15.876 -1.039 1.00 0.00 H new ATOM 624 N LYS A 40 15.273 -18.368 -1.327 1.00 0.00 N ATOM 625 CA LYS A 40 15.646 -19.759 -1.061 1.00 0.00 C ATOM 626 C LYS A 40 16.876 -19.767 -0.139 1.00 0.00 C ATOM 627 O LYS A 40 17.796 -18.957 -0.318 1.00 0.00 O ATOM 628 CB LYS A 40 15.883 -20.512 -2.410 1.00 0.00 C ATOM 629 CG LYS A 40 17.078 -20.033 -3.292 1.00 0.00 C ATOM 630 CD LYS A 40 18.410 -20.768 -2.970 1.00 0.00 C ATOM 631 CE LYS A 40 19.586 -20.253 -3.810 1.00 0.00 C ATOM 632 NZ LYS A 40 19.350 -20.395 -5.265 1.00 0.00 N ATOM 0 H LYS A 40 16.068 -17.764 -1.539 1.00 0.00 H new ATOM 0 HA LYS A 40 14.844 -20.291 -0.549 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.030 -21.569 -2.186 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.972 -20.436 -3.004 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.830 -20.187 -4.342 1.00 0.00 H new ATOM 0 HG3 LYS A 40 17.219 -18.961 -3.151 1.00 0.00 H new ATOM 0 HD2 LYS A 40 18.642 -20.644 -1.912 1.00 0.00 H new ATOM 0 HD3 LYS A 40 18.283 -21.836 -3.146 1.00 0.00 H new ATOM 0 HE2 LYS A 40 19.764 -19.204 -3.575 1.00 0.00 H new ATOM 0 HE3 LYS A 40 20.489 -20.798 -3.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 20.216 -20.145 -5.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 19.090 -21.379 -5.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 18.578 -19.761 -5.555 1.00 0.00 H new ATOM 646 N ARG A 41 16.888 -20.657 0.860 1.00 0.00 N ATOM 647 CA ARG A 41 17.981 -20.742 1.838 1.00 0.00 C ATOM 648 C ARG A 41 18.744 -22.052 1.639 1.00 0.00 C ATOM 649 O ARG A 41 18.148 -23.135 1.635 1.00 0.00 O ATOM 650 CB ARG A 41 17.435 -20.657 3.287 1.00 0.00 C ATOM 651 CG ARG A 41 18.515 -20.702 4.389 1.00 0.00 C ATOM 652 CD ARG A 41 17.927 -20.826 5.803 1.00 0.00 C ATOM 653 NE ARG A 41 17.052 -19.695 6.154 1.00 0.00 N ATOM 654 CZ ARG A 41 16.464 -19.495 7.352 1.00 0.00 C ATOM 655 NH1 ARG A 41 16.626 -20.358 8.352 1.00 0.00 N ATOM 656 NH2 ARG A 41 15.703 -18.430 7.526 1.00 0.00 N ATOM 0 H ARG A 41 16.143 -21.337 1.014 1.00 0.00 H new ATOM 0 HA ARG A 41 18.656 -19.901 1.681 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.866 -19.733 3.393 1.00 0.00 H new ATOM 0 HB3 ARG A 41 16.738 -21.480 3.447 1.00 0.00 H new ATOM 0 HG2 ARG A 41 19.180 -21.545 4.203 1.00 0.00 H new ATOM 0 HG3 ARG A 41 19.122 -19.798 4.332 1.00 0.00 H new ATOM 0 HD2 ARG A 41 17.361 -21.755 5.877 1.00 0.00 H new ATOM 0 HD3 ARG A 41 18.740 -20.890 6.526 1.00 0.00 H new ATOM 0 HE ARG A 41 16.875 -19.001 5.427 1.00 0.00 H new ATOM 0 HH11 ARG A 41 17.203 -21.189 8.220 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.173 -20.189 9.250 1.00 0.00 H new ATOM 0 HH21 ARG A 41 15.566 -17.771 6.760 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.253 -18.267 8.426 1.00 0.00 H new ATOM 670 N ASP A 42 20.060 -21.919 1.444 1.00 0.00 N ATOM 671 CA ASP A 42 21.006 -23.036 1.418 1.00 0.00 C ATOM 672 C ASP A 42 21.127 -23.596 2.839 1.00 0.00 C ATOM 673 O ASP A 42 21.574 -22.881 3.737 1.00 0.00 O ATOM 674 CB ASP A 42 22.365 -22.522 0.899 1.00 0.00 C ATOM 675 CG ASP A 42 23.447 -23.604 0.849 1.00 0.00 C ATOM 676 OD1 ASP A 42 23.415 -24.447 -0.067 1.00 0.00 O ATOM 677 OD2 ASP A 42 24.338 -23.605 1.716 1.00 0.00 O ATOM 0 H ASP A 42 20.505 -21.013 1.297 1.00 0.00 H new ATOM 0 HA ASP A 42 20.665 -23.831 0.755 1.00 0.00 H new ATOM 0 HB2 ASP A 42 22.230 -22.107 -0.100 1.00 0.00 H new ATOM 0 HB3 ASP A 42 22.705 -21.708 1.539 1.00 0.00 H new ATOM 682 N LEU A 43 20.692 -24.848 3.035 1.00 0.00 N ATOM 683 CA LEU A 43 20.583 -25.464 4.377 1.00 0.00 C ATOM 684 C LEU A 43 21.934 -25.894 4.979 1.00 0.00 C ATOM 685 O LEU A 43 22.058 -25.956 6.214 1.00 0.00 O ATOM 686 CB LEU A 43 19.593 -26.661 4.333 1.00 0.00 C ATOM 687 CG LEU A 43 18.096 -26.272 4.149 1.00 0.00 C ATOM 688 CD1 LEU A 43 17.199 -27.523 4.091 1.00 0.00 C ATOM 689 CD2 LEU A 43 17.649 -25.302 5.263 1.00 0.00 C ATOM 0 H LEU A 43 20.405 -25.465 2.275 1.00 0.00 H new ATOM 0 HA LEU A 43 20.200 -24.690 5.042 1.00 0.00 H new ATOM 0 HB2 LEU A 43 19.883 -27.323 3.517 1.00 0.00 H new ATOM 0 HB3 LEU A 43 19.694 -27.230 5.257 1.00 0.00 H new ATOM 0 HG LEU A 43 17.990 -25.756 3.194 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.160 -27.220 3.962 1.00 0.00 H new ATOM 0 HD12 LEU A 43 17.501 -28.149 3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 43 17.300 -28.087 5.018 1.00 0.00 H new ATOM 0 HD21 LEU A 43 16.601 -25.041 5.119 1.00 0.00 H new ATOM 0 HD22 LEU A 43 17.773 -25.781 6.234 1.00 0.00 H new ATOM 0 HD23 LEU A 43 18.257 -24.398 5.224 1.00 0.00 H new ATOM 701 N THR A 44 22.939 -26.161 4.132 1.00 0.00 N ATOM 702 CA THR A 44 24.232 -26.700 4.610 1.00 0.00 C ATOM 703 C THR A 44 25.132 -25.576 5.180 1.00 0.00 C ATOM 704 O THR A 44 25.754 -25.750 6.239 1.00 0.00 O ATOM 705 CB THR A 44 24.972 -27.548 3.503 1.00 0.00 C ATOM 706 OG1 THR A 44 26.291 -27.919 3.942 1.00 0.00 O ATOM 707 CG2 THR A 44 25.052 -26.819 2.159 1.00 0.00 C ATOM 0 H THR A 44 22.889 -26.017 3.124 1.00 0.00 H new ATOM 0 HA THR A 44 24.013 -27.388 5.427 1.00 0.00 H new ATOM 0 HB THR A 44 24.376 -28.448 3.350 1.00 0.00 H new ATOM 0 HG1 THR A 44 26.733 -28.445 3.243 1.00 0.00 H new ATOM 0 HG21 THR A 44 25.570 -27.447 1.435 1.00 0.00 H new ATOM 0 HG22 THR A 44 24.045 -26.606 1.800 1.00 0.00 H new ATOM 0 HG23 THR A 44 25.598 -25.884 2.284 1.00 0.00 H new ATOM 715 N ASN A 45 25.197 -24.419 4.479 1.00 0.00 N ATOM 716 CA ASN A 45 25.931 -23.220 4.975 1.00 0.00 C ATOM 717 C ASN A 45 25.009 -22.340 5.842 1.00 0.00 C ATOM 718 O ASN A 45 25.478 -21.629 6.745 1.00 0.00 O ATOM 719 CB ASN A 45 26.517 -22.403 3.785 1.00 0.00 C ATOM 720 CG ASN A 45 27.402 -21.226 4.218 1.00 0.00 C ATOM 721 OD1 ASN A 45 26.807 -20.058 4.427 1.00 0.00 O flip ATOM 722 ND2 ASN A 45 28.614 -21.371 4.380 1.00 0.00 N flip ATOM 0 H ASN A 45 24.753 -24.286 3.570 1.00 0.00 H new ATOM 0 HA ASN A 45 26.761 -23.558 5.596 1.00 0.00 H new ATOM 0 HB2 ASN A 45 27.101 -23.070 3.151 1.00 0.00 H new ATOM 0 HB3 ASN A 45 25.695 -22.023 3.177 1.00 0.00 H new ATOM 0 HD21 ASN A 45 29.046 -22.280 4.212 1.00 0.00 H new ATOM 0 HD22 ASN A 45 29.186 -20.582 4.682 1.00 0.00 H new ATOM 729 N GLY A 46 23.700 -22.394 5.552 1.00 0.00 N ATOM 730 CA GLY A 46 22.691 -21.633 6.307 1.00 0.00 C ATOM 731 C GLY A 46 22.523 -20.200 5.798 1.00 0.00 C ATOM 732 O GLY A 46 22.055 -19.321 6.536 1.00 0.00 O ATOM 0 H GLY A 46 23.313 -22.960 4.796 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.733 -22.150 6.246 1.00 0.00 H new ATOM 0 HA3 GLY A 46 22.974 -21.609 7.359 1.00 0.00 H new ATOM 736 N LYS A 47 22.889 -19.976 4.520 1.00 0.00 N ATOM 737 CA LYS A 47 22.860 -18.642 3.889 1.00 0.00 C ATOM 738 C LYS A 47 21.531 -18.427 3.140 1.00 0.00 C ATOM 739 O LYS A 47 21.005 -19.359 2.528 1.00 0.00 O ATOM 740 CB LYS A 47 24.071 -18.459 2.932 1.00 0.00 C ATOM 741 CG LYS A 47 24.231 -19.567 1.867 1.00 0.00 C ATOM 742 CD LYS A 47 25.438 -19.341 0.923 1.00 0.00 C ATOM 743 CE LYS A 47 25.307 -18.053 0.089 1.00 0.00 C ATOM 744 NZ LYS A 47 26.458 -17.856 -0.831 1.00 0.00 N ATOM 0 H LYS A 47 23.213 -20.715 3.896 1.00 0.00 H new ATOM 0 HA LYS A 47 22.934 -17.889 4.674 1.00 0.00 H new ATOM 0 HB2 LYS A 47 23.973 -17.499 2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 47 24.983 -18.413 3.528 1.00 0.00 H new ATOM 0 HG2 LYS A 47 24.345 -20.528 2.368 1.00 0.00 H new ATOM 0 HG3 LYS A 47 23.319 -19.624 1.272 1.00 0.00 H new ATOM 0 HD2 LYS A 47 26.353 -19.295 1.514 1.00 0.00 H new ATOM 0 HD3 LYS A 47 25.535 -20.195 0.252 1.00 0.00 H new ATOM 0 HE2 LYS A 47 24.384 -18.090 -0.490 1.00 0.00 H new ATOM 0 HE3 LYS A 47 25.229 -17.196 0.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 26.325 -16.977 -1.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 27.337 -17.793 -0.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 26.519 -18.660 -1.488 1.00 0.00 H new ATOM 758 N GLU A 48 21.009 -17.188 3.193 1.00 0.00 N ATOM 759 CA GLU A 48 19.708 -16.817 2.607 1.00 0.00 C ATOM 760 C GLU A 48 19.908 -16.007 1.324 1.00 0.00 C ATOM 761 O GLU A 48 20.386 -14.867 1.371 1.00 0.00 O ATOM 762 CB GLU A 48 18.899 -16.004 3.639 1.00 0.00 C ATOM 763 CG GLU A 48 18.492 -16.825 4.870 1.00 0.00 C ATOM 764 CD GLU A 48 17.650 -16.034 5.867 1.00 0.00 C ATOM 765 OE1 GLU A 48 18.222 -15.272 6.672 1.00 0.00 O ATOM 766 OE2 GLU A 48 16.409 -16.171 5.851 1.00 0.00 O ATOM 0 H GLU A 48 21.483 -16.408 3.649 1.00 0.00 H new ATOM 0 HA GLU A 48 19.158 -17.722 2.350 1.00 0.00 H new ATOM 0 HB2 GLU A 48 19.490 -15.147 3.961 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.002 -15.611 3.160 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.931 -17.701 4.545 1.00 0.00 H new ATOM 0 HG3 GLU A 48 19.390 -17.188 5.370 1.00 0.00 H new ATOM 773 N ILE A 49 19.540 -16.617 0.191 1.00 0.00 N ATOM 774 CA ILE A 49 19.688 -16.027 -1.147 1.00 0.00 C ATOM 775 C ILE A 49 18.289 -15.647 -1.651 1.00 0.00 C ATOM 776 O ILE A 49 17.502 -16.515 -2.048 1.00 0.00 O ATOM 777 CB ILE A 49 20.378 -16.994 -2.191 1.00 0.00 C ATOM 778 CG1 ILE A 49 21.723 -17.602 -1.642 1.00 0.00 C ATOM 779 CG2 ILE A 49 20.600 -16.261 -3.544 1.00 0.00 C ATOM 780 CD1 ILE A 49 21.558 -18.776 -0.675 1.00 0.00 C ATOM 0 H ILE A 49 19.125 -17.548 0.177 1.00 0.00 H new ATOM 0 HA ILE A 49 20.341 -15.159 -1.058 1.00 0.00 H new ATOM 0 HB ILE A 49 19.703 -17.833 -2.358 1.00 0.00 H new ATOM 0 HG12 ILE A 49 22.327 -17.930 -2.488 1.00 0.00 H new ATOM 0 HG13 ILE A 49 22.282 -16.813 -1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 49 21.076 -16.940 -4.252 1.00 0.00 H new ATOM 0 HG22 ILE A 49 19.639 -15.935 -3.943 1.00 0.00 H new ATOM 0 HG23 ILE A 49 21.241 -15.393 -3.387 1.00 0.00 H new ATOM 0 HD11 ILE A 49 22.540 -19.124 -0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 49 20.985 -18.454 0.194 1.00 0.00 H new ATOM 0 HD13 ILE A 49 21.031 -19.588 -1.176 1.00 0.00 H new ATOM 792 N TRP A 50 17.979 -14.353 -1.602 1.00 0.00 N ATOM 793 CA TRP A 50 16.652 -13.825 -1.945 1.00 0.00 C ATOM 794 C TRP A 50 16.574 -13.533 -3.443 1.00 0.00 C ATOM 795 O TRP A 50 17.597 -13.237 -4.071 1.00 0.00 O ATOM 796 CB TRP A 50 16.388 -12.554 -1.117 1.00 0.00 C ATOM 797 CG TRP A 50 16.517 -12.805 0.366 1.00 0.00 C ATOM 798 CD1 TRP A 50 17.631 -12.659 1.150 1.00 0.00 C ATOM 799 CD2 TRP A 50 15.495 -13.292 1.221 1.00 0.00 C ATOM 800 NE1 TRP A 50 17.345 -13.013 2.442 1.00 0.00 N ATOM 801 CE2 TRP A 50 16.037 -13.399 2.511 1.00 0.00 C ATOM 802 CE3 TRP A 50 14.167 -13.630 1.015 1.00 0.00 C ATOM 803 CZ2 TRP A 50 15.292 -13.845 3.591 1.00 0.00 C ATOM 804 CZ3 TRP A 50 13.434 -14.073 2.079 1.00 0.00 C ATOM 805 CH2 TRP A 50 13.990 -14.175 3.357 1.00 0.00 C ATOM 0 H TRP A 50 18.644 -13.632 -1.321 1.00 0.00 H new ATOM 0 HA TRP A 50 15.886 -14.564 -1.710 1.00 0.00 H new ATOM 0 HB2 TRP A 50 17.090 -11.776 -1.415 1.00 0.00 H new ATOM 0 HB3 TRP A 50 15.387 -12.181 -1.335 1.00 0.00 H new ATOM 0 HD1 TRP A 50 18.593 -12.315 0.801 1.00 0.00 H new ATOM 0 HE1 TRP A 50 18.001 -12.992 3.223 1.00 0.00 H new ATOM 0 HE3 TRP A 50 13.721 -13.545 0.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 15.725 -13.928 4.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 12.401 -14.351 1.929 1.00 0.00 H new ATOM 0 HH2 TRP A 50 13.376 -14.522 4.175 1.00 0.00 H new ATOM 816 N ASP A 51 15.360 -13.610 -4.005 1.00 0.00 N ATOM 817 CA ASP A 51 15.136 -13.385 -5.437 1.00 0.00 C ATOM 818 C ASP A 51 15.191 -11.879 -5.738 1.00 0.00 C ATOM 819 O ASP A 51 14.272 -11.134 -5.388 1.00 0.00 O ATOM 820 CB ASP A 51 13.780 -13.995 -5.880 1.00 0.00 C ATOM 821 CG ASP A 51 13.485 -13.862 -7.397 1.00 0.00 C ATOM 822 OD1 ASP A 51 14.428 -13.941 -8.213 1.00 0.00 O ATOM 823 OD2 ASP A 51 12.300 -13.722 -7.772 1.00 0.00 O ATOM 0 H ASP A 51 14.512 -13.829 -3.483 1.00 0.00 H new ATOM 0 HA ASP A 51 15.922 -13.882 -6.005 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.765 -15.051 -5.610 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.978 -13.512 -5.322 1.00 0.00 H new ATOM 828 N SER A 52 16.295 -11.450 -6.358 1.00 0.00 N ATOM 829 CA SER A 52 16.508 -10.055 -6.787 1.00 0.00 C ATOM 830 C SER A 52 15.627 -9.715 -8.008 1.00 0.00 C ATOM 831 O SER A 52 15.381 -8.538 -8.292 1.00 0.00 O ATOM 832 CB SER A 52 18.002 -9.829 -7.106 1.00 0.00 C ATOM 833 OG SER A 52 18.465 -10.727 -8.102 1.00 0.00 O ATOM 0 H SER A 52 17.078 -12.065 -6.581 1.00 0.00 H new ATOM 0 HA SER A 52 16.218 -9.389 -5.974 1.00 0.00 H new ATOM 0 HB2 SER A 52 18.152 -8.803 -7.442 1.00 0.00 H new ATOM 0 HB3 SER A 52 18.592 -9.956 -6.198 1.00 0.00 H new ATOM 0 HG SER A 52 19.413 -10.556 -8.281 1.00 0.00 H new ATOM 839 N LYS A 53 15.158 -10.760 -8.724 1.00 0.00 N ATOM 840 CA LYS A 53 14.267 -10.613 -9.889 1.00 0.00 C ATOM 841 C LYS A 53 12.791 -10.526 -9.447 1.00 0.00 C ATOM 842 O LYS A 53 11.898 -10.404 -10.294 1.00 0.00 O ATOM 843 CB LYS A 53 14.459 -11.810 -10.857 1.00 0.00 C ATOM 844 CG LYS A 53 15.921 -12.053 -11.304 1.00 0.00 C ATOM 845 CD LYS A 53 16.074 -13.259 -12.260 1.00 0.00 C ATOM 846 CE LYS A 53 15.343 -13.071 -13.606 1.00 0.00 C ATOM 847 NZ LYS A 53 15.920 -11.961 -14.412 1.00 0.00 N ATOM 0 H LYS A 53 15.389 -11.730 -8.508 1.00 0.00 H new ATOM 0 HA LYS A 53 14.526 -9.688 -10.403 1.00 0.00 H new ATOM 0 HB2 LYS A 53 14.086 -12.713 -10.374 1.00 0.00 H new ATOM 0 HB3 LYS A 53 13.845 -11.645 -11.743 1.00 0.00 H new ATOM 0 HG2 LYS A 53 16.297 -11.157 -11.797 1.00 0.00 H new ATOM 0 HG3 LYS A 53 16.541 -12.216 -10.423 1.00 0.00 H new ATOM 0 HD2 LYS A 53 17.133 -13.429 -12.451 1.00 0.00 H new ATOM 0 HD3 LYS A 53 15.691 -14.153 -11.769 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.395 -13.997 -14.178 1.00 0.00 H new ATOM 0 HE3 LYS A 53 14.288 -12.871 -13.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 15.441 -11.917 -15.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 15.786 -11.061 -13.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 16.936 -12.129 -14.557 1.00 0.00 H new ATOM 861 N TRP A 54 12.543 -10.612 -8.123 1.00 0.00 N ATOM 862 CA TRP A 54 11.200 -10.487 -7.545 1.00 0.00 C ATOM 863 C TRP A 54 10.656 -9.063 -7.757 1.00 0.00 C ATOM 864 O TRP A 54 11.363 -8.081 -7.519 1.00 0.00 O ATOM 865 CB TRP A 54 11.245 -10.831 -6.034 1.00 0.00 C ATOM 866 CG TRP A 54 9.924 -10.695 -5.311 1.00 0.00 C ATOM 867 CD1 TRP A 54 8.961 -11.647 -5.167 1.00 0.00 C ATOM 868 CD2 TRP A 54 9.432 -9.533 -4.638 1.00 0.00 C ATOM 869 NE1 TRP A 54 7.909 -11.144 -4.448 1.00 0.00 N ATOM 870 CE2 TRP A 54 8.175 -9.850 -4.115 1.00 0.00 C ATOM 871 CE3 TRP A 54 9.936 -8.256 -4.433 1.00 0.00 C ATOM 872 CZ2 TRP A 54 7.418 -8.940 -3.395 1.00 0.00 C ATOM 873 CZ3 TRP A 54 9.189 -7.352 -3.725 1.00 0.00 C ATOM 874 CH2 TRP A 54 7.940 -7.695 -3.213 1.00 0.00 C ATOM 0 H TRP A 54 13.273 -10.770 -7.429 1.00 0.00 H new ATOM 0 HA TRP A 54 10.531 -11.187 -8.046 1.00 0.00 H new ATOM 0 HB2 TRP A 54 11.602 -11.855 -5.920 1.00 0.00 H new ATOM 0 HB3 TRP A 54 11.976 -10.183 -5.550 1.00 0.00 H new ATOM 0 HD1 TRP A 54 9.018 -12.651 -5.562 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.062 -11.656 -4.201 1.00 0.00 H new ATOM 0 HE3 TRP A 54 10.903 -7.979 -4.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 6.452 -9.207 -2.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 9.575 -6.357 -3.561 1.00 0.00 H new ATOM 0 HH2 TRP A 54 7.374 -6.959 -2.661 1.00 0.00 H new ATOM 885 N SER A 55 9.416 -8.973 -8.231 1.00 0.00 N ATOM 886 CA SER A 55 8.671 -7.723 -8.328 1.00 0.00 C ATOM 887 C SER A 55 7.177 -8.047 -8.290 1.00 0.00 C ATOM 888 O SER A 55 6.640 -8.583 -9.264 1.00 0.00 O ATOM 889 CB SER A 55 9.065 -6.966 -9.622 1.00 0.00 C ATOM 890 OG SER A 55 8.964 -7.795 -10.779 1.00 0.00 O ATOM 0 H SER A 55 8.892 -9.782 -8.564 1.00 0.00 H new ATOM 0 HA SER A 55 8.910 -7.068 -7.490 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.421 -6.095 -9.743 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.086 -6.596 -9.529 1.00 0.00 H new ATOM 0 HG SER A 55 8.158 -8.348 -10.716 1.00 0.00 H new ATOM 896 N LEU A 56 6.514 -7.776 -7.157 1.00 0.00 N ATOM 897 CA LEU A 56 5.093 -8.101 -6.993 1.00 0.00 C ATOM 898 C LEU A 56 4.251 -6.863 -7.283 1.00 0.00 C ATOM 899 O LEU A 56 4.485 -5.793 -6.709 1.00 0.00 O ATOM 900 CB LEU A 56 4.785 -8.628 -5.571 1.00 0.00 C ATOM 901 CG LEU A 56 3.299 -9.045 -5.302 1.00 0.00 C ATOM 902 CD1 LEU A 56 2.844 -10.176 -6.251 1.00 0.00 C ATOM 903 CD2 LEU A 56 3.082 -9.434 -3.825 1.00 0.00 C ATOM 0 H LEU A 56 6.940 -7.333 -6.343 1.00 0.00 H new ATOM 0 HA LEU A 56 4.844 -8.894 -7.699 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.424 -9.489 -5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.062 -7.858 -4.851 1.00 0.00 H new ATOM 0 HG LEU A 56 2.677 -8.175 -5.510 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.808 -10.438 -6.034 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.924 -9.838 -7.284 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.478 -11.051 -6.105 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.041 -9.718 -3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.728 -10.274 -3.571 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.324 -8.585 -3.186 1.00 0.00 H new ATOM 915 N THR A 57 3.288 -7.026 -8.187 1.00 0.00 N ATOM 916 CA THR A 57 2.282 -6.022 -8.481 1.00 0.00 C ATOM 917 C THR A 57 1.014 -6.373 -7.682 1.00 0.00 C ATOM 918 O THR A 57 0.372 -7.399 -7.947 1.00 0.00 O ATOM 919 CB THR A 57 1.987 -5.997 -10.013 1.00 0.00 C ATOM 920 OG1 THR A 57 3.201 -5.723 -10.732 1.00 0.00 O ATOM 921 CG2 THR A 57 0.942 -4.946 -10.385 1.00 0.00 C ATOM 0 H THR A 57 3.188 -7.876 -8.742 1.00 0.00 H new ATOM 0 HA THR A 57 2.633 -5.030 -8.195 1.00 0.00 H new ATOM 0 HB THR A 57 1.590 -6.976 -10.283 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.015 -5.709 -11.694 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.771 -4.968 -11.461 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.008 -5.161 -9.865 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.300 -3.958 -10.094 1.00 0.00 H new ATOM 929 N GLN A 58 0.706 -5.548 -6.673 1.00 0.00 N ATOM 930 CA GLN A 58 -0.466 -5.722 -5.803 1.00 0.00 C ATOM 931 C GLN A 58 -1.416 -4.539 -6.021 1.00 0.00 C ATOM 932 O GLN A 58 -0.975 -3.386 -6.052 1.00 0.00 O ATOM 933 CB GLN A 58 -0.010 -5.806 -4.314 1.00 0.00 C ATOM 934 CG GLN A 58 -1.055 -6.384 -3.339 1.00 0.00 C ATOM 935 CD GLN A 58 -1.447 -7.837 -3.642 1.00 0.00 C ATOM 936 OE1 GLN A 58 -2.581 -8.240 -3.406 1.00 0.00 O ATOM 937 NE2 GLN A 58 -0.513 -8.644 -4.140 1.00 0.00 N ATOM 0 H GLN A 58 1.269 -4.732 -6.435 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.986 -6.648 -6.047 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.891 -6.418 -4.261 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.263 -4.806 -3.977 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.662 -6.328 -2.324 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.950 -5.762 -3.369 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.423 -8.286 -4.328 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.734 -9.621 -4.334 1.00 0.00 H new ATOM 946 N THR A 59 -2.706 -4.845 -6.163 1.00 0.00 N ATOM 947 CA THR A 59 -3.746 -3.877 -6.516 1.00 0.00 C ATOM 948 C THR A 59 -4.000 -2.871 -5.362 1.00 0.00 C ATOM 949 O THR A 59 -4.382 -3.280 -4.260 1.00 0.00 O ATOM 950 CB THR A 59 -5.057 -4.656 -6.852 1.00 0.00 C ATOM 951 OG1 THR A 59 -4.767 -5.680 -7.822 1.00 0.00 O ATOM 952 CG2 THR A 59 -6.151 -3.739 -7.394 1.00 0.00 C ATOM 0 H THR A 59 -3.065 -5.791 -6.033 1.00 0.00 H new ATOM 0 HA THR A 59 -3.417 -3.302 -7.381 1.00 0.00 H new ATOM 0 HB THR A 59 -5.426 -5.098 -5.926 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.588 -6.172 -8.034 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.043 -4.326 -7.613 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.391 -2.979 -6.650 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.802 -3.256 -8.307 1.00 0.00 H new ATOM 960 N PHE A 60 -3.774 -1.562 -5.617 1.00 0.00 N ATOM 961 CA PHE A 60 -4.038 -0.490 -4.623 1.00 0.00 C ATOM 962 C PHE A 60 -5.207 0.396 -5.101 1.00 0.00 C ATOM 963 O PHE A 60 -4.999 1.357 -5.849 1.00 0.00 O ATOM 964 CB PHE A 60 -2.758 0.380 -4.384 1.00 0.00 C ATOM 965 CG PHE A 60 -2.483 0.779 -2.931 1.00 0.00 C ATOM 966 CD1 PHE A 60 -3.264 0.296 -1.868 1.00 0.00 C ATOM 967 CD2 PHE A 60 -1.392 1.584 -2.620 1.00 0.00 C ATOM 968 CE1 PHE A 60 -2.957 0.610 -0.562 1.00 0.00 C ATOM 969 CE2 PHE A 60 -1.085 1.886 -1.314 1.00 0.00 C ATOM 970 CZ PHE A 60 -1.865 1.398 -0.287 1.00 0.00 C ATOM 0 H PHE A 60 -3.408 -1.219 -6.505 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.310 -0.958 -3.677 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -1.894 -0.168 -4.760 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.843 1.288 -4.980 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -4.118 -0.331 -2.078 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.777 1.978 -3.416 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.573 0.238 0.243 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.230 2.507 -1.092 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.617 1.636 0.737 1.00 0.00 H new ATOM 980 N GLU A 61 -6.413 0.036 -4.660 1.00 0.00 N ATOM 981 CA GLU A 61 -7.662 0.782 -4.894 1.00 0.00 C ATOM 982 C GLU A 61 -8.786 0.100 -4.092 1.00 0.00 C ATOM 983 O GLU A 61 -8.493 -0.571 -3.096 1.00 0.00 O ATOM 984 CB GLU A 61 -7.966 0.932 -6.428 1.00 0.00 C ATOM 985 CG GLU A 61 -7.904 -0.350 -7.289 1.00 0.00 C ATOM 986 CD GLU A 61 -9.172 -1.222 -7.230 1.00 0.00 C ATOM 987 OE1 GLU A 61 -10.169 -0.870 -7.891 1.00 0.00 O ATOM 988 OE2 GLU A 61 -9.167 -2.278 -6.579 1.00 0.00 O ATOM 0 H GLU A 61 -6.558 -0.811 -4.111 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.571 1.808 -4.537 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.962 1.363 -6.535 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.261 1.652 -6.843 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.721 -0.067 -8.326 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.052 -0.948 -6.966 1.00 0.00 H new ATOM 995 N ALA A 62 -10.061 0.343 -4.470 1.00 0.00 N ATOM 996 CA ALA A 62 -11.255 -0.275 -3.839 1.00 0.00 C ATOM 997 C ALA A 62 -11.513 0.257 -2.410 1.00 0.00 C ATOM 998 O ALA A 62 -12.294 -0.350 -1.668 1.00 0.00 O ATOM 999 CB ALA A 62 -11.178 -1.820 -3.856 1.00 0.00 C ATOM 0 H ALA A 62 -10.295 0.981 -5.231 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.110 0.022 -4.447 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.070 -2.234 -3.385 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.116 -2.170 -4.886 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.294 -2.146 -3.308 1.00 0.00 H new ATOM 1005 N LEU A 63 -10.882 1.391 -2.041 1.00 0.00 N ATOM 1006 CA LEU A 63 -11.117 2.062 -0.745 1.00 0.00 C ATOM 1007 C LEU A 63 -12.571 2.606 -0.674 1.00 0.00 C ATOM 1008 O LEU A 63 -12.930 3.482 -1.473 1.00 0.00 O ATOM 1009 CB LEU A 63 -10.078 3.214 -0.494 1.00 0.00 C ATOM 1010 CG LEU A 63 -8.731 2.785 0.187 1.00 0.00 C ATOM 1011 CD1 LEU A 63 -8.987 2.203 1.606 1.00 0.00 C ATOM 1012 CD2 LEU A 63 -7.928 1.798 -0.707 1.00 0.00 C ATOM 0 H LEU A 63 -10.198 1.866 -2.630 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.981 1.322 0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.846 3.683 -1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.551 3.975 0.127 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.116 3.677 0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.038 1.913 2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.468 2.958 2.227 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.634 1.329 1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.001 1.523 -0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.523 0.903 -0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.696 2.276 -1.659 1.00 0.00 H new ATOM 1024 N PRO A 64 -13.430 2.090 0.273 1.00 0.00 N ATOM 1025 CA PRO A 64 -14.843 2.519 0.402 1.00 0.00 C ATOM 1026 C PRO A 64 -14.958 3.949 0.972 1.00 0.00 C ATOM 1027 O PRO A 64 -15.047 4.163 2.195 1.00 0.00 O ATOM 1028 CB PRO A 64 -15.474 1.440 1.329 1.00 0.00 C ATOM 1029 CG PRO A 64 -14.328 0.918 2.148 1.00 0.00 C ATOM 1030 CD PRO A 64 -13.089 1.044 1.283 1.00 0.00 C ATOM 0 HA PRO A 64 -15.359 2.581 -0.556 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.250 1.869 1.963 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -15.940 0.644 0.749 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -14.218 1.490 3.070 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -14.497 -0.120 2.435 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -12.222 1.335 1.875 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -12.844 0.096 0.803 1.00 0.00 H new ATOM 1038 N SER A 65 -14.896 4.925 0.058 1.00 0.00 N ATOM 1039 CA SER A 65 -15.034 6.347 0.379 1.00 0.00 C ATOM 1040 C SER A 65 -16.516 6.749 0.310 1.00 0.00 C ATOM 1041 O SER A 65 -17.187 6.403 -0.676 1.00 0.00 O ATOM 1042 CB SER A 65 -14.177 7.186 -0.595 1.00 0.00 C ATOM 1043 OG SER A 65 -14.504 6.917 -1.937 1.00 0.00 O ATOM 0 H SER A 65 -14.747 4.746 -0.935 1.00 0.00 H new ATOM 0 HA SER A 65 -14.677 6.536 1.392 1.00 0.00 H new ATOM 0 HB2 SER A 65 -14.325 8.246 -0.390 1.00 0.00 H new ATOM 0 HB3 SER A 65 -13.121 6.973 -0.428 1.00 0.00 H new ATOM 0 HG SER A 65 -13.694 6.964 -2.487 1.00 0.00 H new ATOM 1049 N PRO A 66 -17.070 7.452 1.355 1.00 0.00 N ATOM 1050 CA PRO A 66 -18.485 7.852 1.358 1.00 0.00 C ATOM 1051 C PRO A 66 -18.780 8.814 0.200 1.00 0.00 C ATOM 1052 O PRO A 66 -18.142 9.869 0.078 1.00 0.00 O ATOM 1053 CB PRO A 66 -18.680 8.536 2.744 1.00 0.00 C ATOM 1054 CG PRO A 66 -17.306 8.951 3.178 1.00 0.00 C ATOM 1055 CD PRO A 66 -16.367 7.920 2.580 1.00 0.00 C ATOM 0 HA PRO A 66 -19.166 7.013 1.218 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.345 9.396 2.668 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.128 7.849 3.462 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.067 9.953 2.822 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -17.227 8.971 4.265 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.397 8.356 2.340 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -16.185 7.098 3.273 1.00 0.00 H new ATOM 1063 N VAL A 67 -19.710 8.409 -0.679 1.00 0.00 N ATOM 1064 CA VAL A 67 -20.201 9.273 -1.744 1.00 0.00 C ATOM 1065 C VAL A 67 -21.072 10.351 -1.086 1.00 0.00 C ATOM 1066 O VAL A 67 -22.214 10.094 -0.690 1.00 0.00 O ATOM 1067 CB VAL A 67 -21.017 8.441 -2.804 1.00 0.00 C ATOM 1068 CG1 VAL A 67 -21.676 9.347 -3.869 1.00 0.00 C ATOM 1069 CG2 VAL A 67 -20.115 7.357 -3.456 1.00 0.00 C ATOM 0 H VAL A 67 -20.134 7.481 -0.666 1.00 0.00 H new ATOM 0 HA VAL A 67 -19.374 9.736 -2.282 1.00 0.00 H new ATOM 0 HB VAL A 67 -21.828 7.938 -2.278 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -22.228 8.731 -4.579 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -22.360 10.042 -3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -20.905 9.907 -4.397 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -20.695 6.792 -4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -19.273 7.836 -3.955 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -19.744 6.681 -2.686 1.00 0.00 H new ATOM 1079 N ILE A 68 -20.493 11.546 -0.942 1.00 0.00 N ATOM 1080 CA ILE A 68 -21.149 12.704 -0.342 1.00 0.00 C ATOM 1081 C ILE A 68 -21.568 13.635 -1.478 1.00 0.00 C ATOM 1082 O ILE A 68 -20.708 14.197 -2.162 1.00 0.00 O ATOM 1083 CB ILE A 68 -20.198 13.463 0.665 1.00 0.00 C ATOM 1084 CG1 ILE A 68 -19.533 12.474 1.679 1.00 0.00 C ATOM 1085 CG2 ILE A 68 -20.979 14.563 1.420 1.00 0.00 C ATOM 1086 CD1 ILE A 68 -18.515 13.103 2.615 1.00 0.00 C ATOM 0 H ILE A 68 -19.538 11.736 -1.246 1.00 0.00 H new ATOM 0 HA ILE A 68 -22.014 12.374 0.233 1.00 0.00 H new ATOM 0 HB ILE A 68 -19.403 13.930 0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -20.317 12.010 2.278 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -19.045 11.676 1.119 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -20.309 15.076 2.110 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -21.382 15.280 0.704 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -21.798 14.110 1.979 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -18.110 12.339 3.279 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -17.706 13.542 2.031 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -18.997 13.880 3.208 1.00 0.00 H new ATOM 1098 N ILE A 69 -22.888 13.760 -1.692 1.00 0.00 N ATOM 1099 CA ILE A 69 -23.444 14.535 -2.807 1.00 0.00 C ATOM 1100 C ILE A 69 -23.134 16.026 -2.629 1.00 0.00 C ATOM 1101 O ILE A 69 -23.360 16.599 -1.556 1.00 0.00 O ATOM 1102 CB ILE A 69 -24.995 14.298 -2.963 1.00 0.00 C ATOM 1103 CG1 ILE A 69 -25.303 12.773 -3.121 1.00 0.00 C ATOM 1104 CG2 ILE A 69 -25.586 15.102 -4.154 1.00 0.00 C ATOM 1105 CD1 ILE A 69 -24.549 12.080 -4.254 1.00 0.00 C ATOM 0 H ILE A 69 -23.595 13.327 -1.098 1.00 0.00 H new ATOM 0 HA ILE A 69 -22.969 14.188 -3.724 1.00 0.00 H new ATOM 0 HB ILE A 69 -25.475 14.661 -2.055 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -25.064 12.270 -2.184 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -26.373 12.648 -3.286 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -26.657 14.911 -4.227 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -25.418 16.167 -3.993 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -25.099 14.793 -5.079 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -24.827 11.027 -4.285 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -24.805 12.551 -5.203 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -23.476 12.167 -4.083 1.00 0.00 H new ATOM 1117 N GLY A 70 -22.584 16.628 -3.693 1.00 0.00 N ATOM 1118 CA GLY A 70 -22.179 18.022 -3.689 1.00 0.00 C ATOM 1119 C GLY A 70 -20.799 18.261 -3.114 1.00 0.00 C ATOM 1120 O GLY A 70 -20.328 19.396 -3.113 1.00 0.00 O ATOM 0 H GLY A 70 -22.411 16.152 -4.578 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -22.206 18.400 -4.711 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -22.905 18.599 -3.116 1.00 0.00 H new ATOM 1124 N TYR A 71 -20.149 17.193 -2.620 1.00 0.00 N ATOM 1125 CA TYR A 71 -18.766 17.225 -2.123 1.00 0.00 C ATOM 1126 C TYR A 71 -17.923 16.289 -2.983 1.00 0.00 C ATOM 1127 O TYR A 71 -18.435 15.288 -3.497 1.00 0.00 O ATOM 1128 CB TYR A 71 -18.675 16.798 -0.637 1.00 0.00 C ATOM 1129 CG TYR A 71 -19.356 17.753 0.354 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -20.750 17.878 0.401 1.00 0.00 C ATOM 1131 CD2 TYR A 71 -18.610 18.520 1.256 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -21.364 18.721 1.301 1.00 0.00 C ATOM 1133 CE2 TYR A 71 -19.230 19.361 2.161 1.00 0.00 C ATOM 1134 CZ TYR A 71 -20.603 19.455 2.178 1.00 0.00 C ATOM 1135 OH TYR A 71 -21.221 20.286 3.086 1.00 0.00 O ATOM 0 H TYR A 71 -20.578 16.270 -2.555 1.00 0.00 H new ATOM 0 HA TYR A 71 -18.396 18.248 -2.188 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -19.121 15.809 -0.531 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -17.624 16.705 -0.365 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -21.356 17.302 -0.282 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -17.532 18.454 1.245 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -22.441 18.805 1.317 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -18.639 19.943 2.853 1.00 0.00 H new ATOM 0 HH TYR A 71 -20.543 20.733 3.634 1.00 0.00 H new ATOM 1145 N THR A 72 -16.638 16.615 -3.148 1.00 0.00 N ATOM 1146 CA THR A 72 -15.709 15.805 -3.949 1.00 0.00 C ATOM 1147 C THR A 72 -14.346 15.755 -3.261 1.00 0.00 C ATOM 1148 O THR A 72 -13.743 16.805 -2.997 1.00 0.00 O ATOM 1149 CB THR A 72 -15.565 16.378 -5.401 1.00 0.00 C ATOM 1150 OG1 THR A 72 -16.867 16.487 -6.006 1.00 0.00 O ATOM 1151 CG2 THR A 72 -14.671 15.508 -6.299 1.00 0.00 C ATOM 0 H THR A 72 -16.211 17.443 -2.733 1.00 0.00 H new ATOM 0 HA THR A 72 -16.111 14.795 -4.028 1.00 0.00 H new ATOM 0 HB THR A 72 -15.091 17.356 -5.312 1.00 0.00 H new ATOM 0 HG1 THR A 72 -17.312 17.297 -5.680 1.00 0.00 H new ATOM 0 HG21 THR A 72 -14.608 15.954 -7.292 1.00 0.00 H new ATOM 0 HG22 THR A 72 -13.673 15.444 -5.866 1.00 0.00 H new ATOM 0 HG23 THR A 72 -15.097 14.508 -6.377 1.00 0.00 H new ATOM 1159 N ALA A 73 -13.881 14.528 -2.953 1.00 0.00 N ATOM 1160 CA ALA A 73 -12.555 14.290 -2.378 1.00 0.00 C ATOM 1161 C ALA A 73 -11.459 14.638 -3.397 1.00 0.00 C ATOM 1162 O ALA A 73 -11.690 14.548 -4.608 1.00 0.00 O ATOM 1163 CB ALA A 73 -12.423 12.829 -1.917 1.00 0.00 C ATOM 0 H ALA A 73 -14.421 13.675 -3.099 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.433 14.936 -1.508 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.432 12.670 -1.492 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.180 12.616 -1.162 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.564 12.164 -2.769 1.00 0.00 H new ATOM 1169 N ASP A 74 -10.263 15.030 -2.900 1.00 0.00 N ATOM 1170 CA ASP A 74 -9.060 15.239 -3.764 1.00 0.00 C ATOM 1171 C ASP A 74 -8.686 13.929 -4.477 1.00 0.00 C ATOM 1172 O ASP A 74 -8.138 13.935 -5.584 1.00 0.00 O ATOM 1173 CB ASP A 74 -7.840 15.740 -2.938 1.00 0.00 C ATOM 1174 CG ASP A 74 -7.978 17.196 -2.482 1.00 0.00 C ATOM 1175 OD1 ASP A 74 -8.702 17.445 -1.510 1.00 0.00 O ATOM 1176 OD2 ASP A 74 -7.365 18.104 -3.100 1.00 0.00 O ATOM 0 H ASP A 74 -10.097 15.209 -1.910 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.314 16.003 -4.499 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.715 15.102 -2.063 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.936 15.638 -3.539 1.00 0.00 H new ATOM 1181 N LYS A 75 -8.980 12.816 -3.791 1.00 0.00 N ATOM 1182 CA LYS A 75 -8.847 11.462 -4.312 1.00 0.00 C ATOM 1183 C LYS A 75 -10.041 10.628 -3.797 1.00 0.00 C ATOM 1184 O LYS A 75 -10.149 10.374 -2.590 1.00 0.00 O ATOM 1185 CB LYS A 75 -7.475 10.805 -3.923 1.00 0.00 C ATOM 1186 CG LYS A 75 -7.109 10.764 -2.404 1.00 0.00 C ATOM 1187 CD LYS A 75 -6.655 12.125 -1.815 1.00 0.00 C ATOM 1188 CE LYS A 75 -5.392 12.676 -2.488 1.00 0.00 C ATOM 1189 NZ LYS A 75 -4.259 11.726 -2.420 1.00 0.00 N ATOM 0 H LYS A 75 -9.326 12.841 -2.832 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.858 11.496 -5.401 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.471 9.782 -4.299 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.683 11.340 -4.447 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.975 10.411 -1.844 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.313 10.034 -2.254 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.463 12.849 -1.922 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.470 12.009 -0.747 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.609 12.905 -3.531 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.107 13.613 -2.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.371 12.230 -2.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.215 11.306 -1.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.394 10.974 -3.125 1.00 0.00 H new ATOM 1203 N PRO A 76 -10.997 10.234 -4.694 1.00 0.00 N ATOM 1204 CA PRO A 76 -12.123 9.343 -4.320 1.00 0.00 C ATOM 1205 C PRO A 76 -11.678 7.870 -4.260 1.00 0.00 C ATOM 1206 O PRO A 76 -12.459 6.984 -3.903 1.00 0.00 O ATOM 1207 CB PRO A 76 -13.142 9.594 -5.450 1.00 0.00 C ATOM 1208 CG PRO A 76 -12.288 9.859 -6.649 1.00 0.00 C ATOM 1209 CD PRO A 76 -11.071 10.613 -6.137 1.00 0.00 C ATOM 0 HA PRO A 76 -12.529 9.546 -3.329 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -13.790 8.731 -5.603 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -13.789 10.442 -5.224 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -11.995 8.927 -7.133 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -12.828 10.447 -7.391 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.167 10.324 -6.673 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -11.186 11.690 -6.262 1.00 0.00 H new ATOM 1217 N MET A 77 -10.411 7.622 -4.630 1.00 0.00 N ATOM 1218 CA MET A 77 -9.805 6.309 -4.567 1.00 0.00 C ATOM 1219 C MET A 77 -8.318 6.456 -4.240 1.00 0.00 C ATOM 1220 O MET A 77 -7.608 7.255 -4.872 1.00 0.00 O ATOM 1221 CB MET A 77 -10.017 5.555 -5.894 1.00 0.00 C ATOM 1222 CG MET A 77 -9.595 4.095 -5.822 1.00 0.00 C ATOM 1223 SD MET A 77 -10.345 3.246 -4.413 1.00 0.00 S ATOM 1224 CE MET A 77 -12.112 3.428 -4.719 1.00 0.00 C ATOM 0 H MET A 77 -9.783 8.344 -4.983 1.00 0.00 H new ATOM 0 HA MET A 77 -10.279 5.723 -3.779 1.00 0.00 H new ATOM 0 HB2 MET A 77 -11.069 5.610 -6.173 1.00 0.00 H new ATOM 0 HB3 MET A 77 -9.452 6.052 -6.682 1.00 0.00 H new ATOM 0 HG2 MET A 77 -9.880 3.589 -6.744 1.00 0.00 H new ATOM 0 HG3 MET A 77 -8.509 4.034 -5.747 1.00 0.00 H new ATOM 0 HE1 MET A 77 -12.669 2.828 -4.000 1.00 0.00 H new ATOM 0 HE2 MET A 77 -12.394 4.476 -4.613 1.00 0.00 H new ATOM 0 HE3 MET A 77 -12.343 3.091 -5.730 1.00 0.00 H new ATOM 1234 N VAL A 78 -7.881 5.693 -3.234 1.00 0.00 N ATOM 1235 CA VAL A 78 -6.519 5.743 -2.700 1.00 0.00 C ATOM 1236 C VAL A 78 -5.654 4.639 -3.324 1.00 0.00 C ATOM 1237 O VAL A 78 -5.999 3.449 -3.261 1.00 0.00 O ATOM 1238 CB VAL A 78 -6.547 5.630 -1.135 1.00 0.00 C ATOM 1239 CG1 VAL A 78 -5.116 5.633 -0.522 1.00 0.00 C ATOM 1240 CG2 VAL A 78 -7.446 6.753 -0.546 1.00 0.00 C ATOM 0 H VAL A 78 -8.475 5.012 -2.761 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.072 6.702 -2.962 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.981 4.667 -0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.185 5.553 0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.551 4.787 -0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.609 6.561 -0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.464 6.672 0.541 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.046 7.726 -0.831 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.459 6.649 -0.934 1.00 0.00 H new ATOM 1250 N GLY A 79 -4.530 5.063 -3.922 1.00 0.00 N ATOM 1251 CA GLY A 79 -3.599 4.171 -4.611 1.00 0.00 C ATOM 1252 C GLY A 79 -3.679 4.325 -6.137 1.00 0.00 C ATOM 1253 O GLY A 79 -4.740 4.693 -6.664 1.00 0.00 O ATOM 0 H GLY A 79 -4.244 6.042 -3.938 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.582 4.380 -4.278 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.817 3.138 -4.339 1.00 0.00 H new ATOM 1257 N PRO A 80 -2.563 4.042 -6.887 1.00 0.00 N ATOM 1258 CA PRO A 80 -2.506 4.167 -8.363 1.00 0.00 C ATOM 1259 C PRO A 80 -3.009 2.900 -9.112 1.00 0.00 C ATOM 1260 O PRO A 80 -2.476 2.556 -10.178 1.00 0.00 O ATOM 1261 CB PRO A 80 -0.995 4.421 -8.592 1.00 0.00 C ATOM 1262 CG PRO A 80 -0.305 3.603 -7.538 1.00 0.00 C ATOM 1263 CD PRO A 80 -1.249 3.586 -6.342 1.00 0.00 C ATOM 0 HA PRO A 80 -3.158 4.949 -8.753 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -0.690 4.116 -9.593 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -0.752 5.479 -8.494 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -0.107 2.592 -7.895 1.00 0.00 H new ATOM 0 HG3 PRO A 80 0.657 4.041 -7.271 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -1.324 2.587 -5.912 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.897 4.248 -5.551 1.00 0.00 H new ATOM 1271 N ASP A 81 -4.058 2.244 -8.549 1.00 0.00 N ATOM 1272 CA ASP A 81 -4.722 1.020 -9.097 1.00 0.00 C ATOM 1273 C ASP A 81 -3.877 -0.237 -8.864 1.00 0.00 C ATOM 1274 O ASP A 81 -4.376 -1.222 -8.325 1.00 0.00 O ATOM 1275 CB ASP A 81 -5.130 1.137 -10.597 1.00 0.00 C ATOM 1276 CG ASP A 81 -6.125 2.273 -10.860 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -7.352 2.049 -10.781 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -5.685 3.405 -11.128 1.00 0.00 O ATOM 0 H ASP A 81 -4.481 2.558 -7.675 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.651 0.928 -8.535 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.236 1.298 -11.200 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.569 0.194 -10.923 1.00 0.00 H new ATOM 1283 N GLU A 82 -2.612 -0.212 -9.325 1.00 0.00 N ATOM 1284 CA GLU A 82 -1.596 -1.248 -9.016 1.00 0.00 C ATOM 1285 C GLU A 82 -0.336 -0.589 -8.438 1.00 0.00 C ATOM 1286 O GLU A 82 -0.002 0.545 -8.793 1.00 0.00 O ATOM 1287 CB GLU A 82 -1.188 -2.065 -10.280 1.00 0.00 C ATOM 1288 CG GLU A 82 -2.264 -3.023 -10.844 1.00 0.00 C ATOM 1289 CD GLU A 82 -3.396 -2.324 -11.620 1.00 0.00 C ATOM 1290 OE1 GLU A 82 -3.104 -1.619 -12.606 1.00 0.00 O ATOM 1291 OE2 GLU A 82 -4.580 -2.510 -11.268 1.00 0.00 O ATOM 0 H GLU A 82 -2.259 0.532 -9.927 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.044 -1.928 -8.292 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.906 -1.364 -11.066 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.300 -2.649 -10.040 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.781 -3.745 -11.502 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.700 -3.586 -10.019 1.00 0.00 H new ATOM 1298 N VAL A 83 0.377 -1.335 -7.575 1.00 0.00 N ATOM 1299 CA VAL A 83 1.677 -0.939 -6.998 1.00 0.00 C ATOM 1300 C VAL A 83 2.670 -2.090 -7.197 1.00 0.00 C ATOM 1301 O VAL A 83 2.438 -3.196 -6.706 1.00 0.00 O ATOM 1302 CB VAL A 83 1.564 -0.582 -5.463 1.00 0.00 C ATOM 1303 CG1 VAL A 83 2.952 -0.455 -4.789 1.00 0.00 C ATOM 1304 CG2 VAL A 83 0.758 0.712 -5.266 1.00 0.00 C ATOM 0 H VAL A 83 0.060 -2.249 -7.252 1.00 0.00 H new ATOM 0 HA VAL A 83 2.022 -0.040 -7.509 1.00 0.00 H new ATOM 0 HB VAL A 83 1.040 -1.407 -4.981 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.823 -0.209 -3.735 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.488 -1.400 -4.878 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.523 0.333 -5.279 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.691 0.941 -4.202 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.255 1.533 -5.783 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.245 0.581 -5.672 1.00 0.00 H new ATOM 1314 N THR A 84 3.758 -1.828 -7.936 1.00 0.00 N ATOM 1315 CA THR A 84 4.825 -2.806 -8.159 1.00 0.00 C ATOM 1316 C THR A 84 6.015 -2.492 -7.233 1.00 0.00 C ATOM 1317 O THR A 84 6.753 -1.528 -7.470 1.00 0.00 O ATOM 1318 CB THR A 84 5.289 -2.807 -9.656 1.00 0.00 C ATOM 1319 OG1 THR A 84 4.137 -2.891 -10.515 1.00 0.00 O ATOM 1320 CG2 THR A 84 6.235 -3.986 -9.964 1.00 0.00 C ATOM 0 H THR A 84 3.920 -0.931 -8.394 1.00 0.00 H new ATOM 0 HA THR A 84 4.437 -3.799 -7.929 1.00 0.00 H new ATOM 0 HB THR A 84 5.834 -1.880 -9.835 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.833 -3.821 -10.565 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.533 -3.949 -11.012 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.121 -3.916 -9.332 1.00 0.00 H new ATOM 0 HG23 THR A 84 5.721 -4.926 -9.766 1.00 0.00 H new ATOM 1328 N VAL A 85 6.163 -3.274 -6.157 1.00 0.00 N ATOM 1329 CA VAL A 85 7.358 -3.226 -5.308 1.00 0.00 C ATOM 1330 C VAL A 85 8.296 -4.329 -5.798 1.00 0.00 C ATOM 1331 O VAL A 85 7.916 -5.505 -5.834 1.00 0.00 O ATOM 1332 CB VAL A 85 7.030 -3.410 -3.777 1.00 0.00 C ATOM 1333 CG1 VAL A 85 8.317 -3.543 -2.918 1.00 0.00 C ATOM 1334 CG2 VAL A 85 6.151 -2.249 -3.265 1.00 0.00 C ATOM 0 H VAL A 85 5.464 -3.952 -5.853 1.00 0.00 H new ATOM 0 HA VAL A 85 7.820 -2.242 -5.389 1.00 0.00 H new ATOM 0 HB VAL A 85 6.474 -4.342 -3.674 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.044 -3.668 -1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.888 -4.410 -3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.924 -2.644 -3.030 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.936 -2.395 -2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.679 -1.305 -3.401 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.216 -2.226 -3.825 1.00 0.00 H new ATOM 1344 N ASP A 86 9.484 -3.916 -6.243 1.00 0.00 N ATOM 1345 CA ASP A 86 10.563 -4.815 -6.691 1.00 0.00 C ATOM 1346 C ASP A 86 11.415 -5.196 -5.494 1.00 0.00 C ATOM 1347 O ASP A 86 11.268 -4.619 -4.414 1.00 0.00 O ATOM 1348 CB ASP A 86 11.465 -4.121 -7.748 1.00 0.00 C ATOM 1349 CG ASP A 86 10.727 -3.757 -9.033 1.00 0.00 C ATOM 1350 OD1 ASP A 86 9.790 -2.934 -8.968 1.00 0.00 O ATOM 1351 OD2 ASP A 86 11.085 -4.275 -10.113 1.00 0.00 O ATOM 0 H ASP A 86 9.734 -2.929 -6.305 1.00 0.00 H new ATOM 0 HA ASP A 86 10.113 -5.699 -7.143 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.890 -3.216 -7.314 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.299 -4.780 -7.991 1.00 0.00 H new ATOM 1356 N SER A 87 12.329 -6.140 -5.715 1.00 0.00 N ATOM 1357 CA SER A 87 13.301 -6.576 -4.704 1.00 0.00 C ATOM 1358 C SER A 87 14.340 -5.464 -4.436 1.00 0.00 C ATOM 1359 O SER A 87 14.962 -5.418 -3.371 1.00 0.00 O ATOM 1360 CB SER A 87 13.981 -7.879 -5.174 1.00 0.00 C ATOM 1361 OG SER A 87 14.890 -8.385 -4.209 1.00 0.00 O ATOM 0 H SER A 87 12.419 -6.629 -6.605 1.00 0.00 H new ATOM 0 HA SER A 87 12.784 -6.773 -3.765 1.00 0.00 H new ATOM 0 HB2 SER A 87 13.219 -8.630 -5.383 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.511 -7.694 -6.109 1.00 0.00 H new ATOM 0 HG SER A 87 14.905 -9.364 -4.255 1.00 0.00 H new ATOM 1367 N LYS A 88 14.491 -4.558 -5.420 1.00 0.00 N ATOM 1368 CA LYS A 88 15.376 -3.391 -5.324 1.00 0.00 C ATOM 1369 C LYS A 88 14.829 -2.394 -4.279 1.00 0.00 C ATOM 1370 O LYS A 88 15.534 -2.031 -3.330 1.00 0.00 O ATOM 1371 CB LYS A 88 15.509 -2.727 -6.717 1.00 0.00 C ATOM 1372 CG LYS A 88 16.045 -3.678 -7.810 1.00 0.00 C ATOM 1373 CD LYS A 88 16.188 -2.999 -9.194 1.00 0.00 C ATOM 1374 CE LYS A 88 14.844 -2.536 -9.785 1.00 0.00 C ATOM 1375 NZ LYS A 88 13.968 -3.687 -10.124 1.00 0.00 N ATOM 0 H LYS A 88 13.996 -4.619 -6.310 1.00 0.00 H new ATOM 0 HA LYS A 88 16.366 -3.708 -4.997 1.00 0.00 H new ATOM 0 HB2 LYS A 88 14.534 -2.348 -7.024 1.00 0.00 H new ATOM 0 HB3 LYS A 88 16.174 -1.867 -6.638 1.00 0.00 H new ATOM 0 HG2 LYS A 88 17.016 -4.066 -7.501 1.00 0.00 H new ATOM 0 HG3 LYS A 88 15.374 -4.533 -7.900 1.00 0.00 H new ATOM 0 HD2 LYS A 88 16.853 -2.140 -9.103 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.661 -3.696 -9.886 1.00 0.00 H new ATOM 0 HE2 LYS A 88 14.335 -1.890 -9.070 1.00 0.00 H new ATOM 0 HE3 LYS A 88 15.026 -1.941 -10.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 13.011 -3.343 -10.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 14.354 -4.185 -10.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 13.925 -4.341 -9.316 1.00 0.00 H new ATOM 1389 N ASN A 89 13.545 -2.005 -4.445 1.00 0.00 N ATOM 1390 CA ASN A 89 12.838 -1.067 -3.525 1.00 0.00 C ATOM 1391 C ASN A 89 12.003 -1.832 -2.482 1.00 0.00 C ATOM 1392 O ASN A 89 11.063 -1.277 -1.907 1.00 0.00 O ATOM 1393 CB ASN A 89 11.943 -0.042 -4.304 1.00 0.00 C ATOM 1394 CG ASN A 89 10.921 -0.683 -5.253 1.00 0.00 C ATOM 1395 OD1 ASN A 89 11.194 -1.694 -5.869 1.00 0.00 O ATOM 1396 ND2 ASN A 89 9.750 -0.083 -5.399 1.00 0.00 N ATOM 0 H ASN A 89 12.964 -2.329 -5.218 1.00 0.00 H new ATOM 0 HA ASN A 89 13.607 -0.500 -3.001 1.00 0.00 H new ATOM 0 HB2 ASN A 89 11.411 0.578 -3.583 1.00 0.00 H new ATOM 0 HB3 ASN A 89 12.589 0.621 -4.880 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.056 -0.469 -6.039 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.542 0.765 -4.872 1.00 0.00 H new ATOM 1403 N PHE A 90 12.389 -3.092 -2.203 1.00 0.00 N ATOM 1404 CA PHE A 90 11.719 -3.933 -1.192 1.00 0.00 C ATOM 1405 C PHE A 90 12.038 -3.454 0.229 1.00 0.00 C ATOM 1406 O PHE A 90 11.225 -3.613 1.133 1.00 0.00 O ATOM 1407 CB PHE A 90 12.118 -5.415 -1.359 1.00 0.00 C ATOM 1408 CG PHE A 90 11.459 -6.361 -0.352 1.00 0.00 C ATOM 1409 CD1 PHE A 90 10.146 -6.788 -0.529 1.00 0.00 C ATOM 1410 CD2 PHE A 90 12.148 -6.813 0.777 1.00 0.00 C ATOM 1411 CE1 PHE A 90 9.544 -7.636 0.375 1.00 0.00 C ATOM 1412 CE2 PHE A 90 11.540 -7.654 1.685 1.00 0.00 C ATOM 1413 CZ PHE A 90 10.237 -8.066 1.482 1.00 0.00 C ATOM 0 H PHE A 90 13.170 -3.554 -2.669 1.00 0.00 H new ATOM 0 HA PHE A 90 10.644 -3.842 -1.348 1.00 0.00 H new ATOM 0 HB2 PHE A 90 11.858 -5.738 -2.367 1.00 0.00 H new ATOM 0 HB3 PHE A 90 13.201 -5.501 -1.266 1.00 0.00 H new ATOM 0 HD1 PHE A 90 9.589 -6.449 -1.390 1.00 0.00 H new ATOM 0 HD2 PHE A 90 13.169 -6.500 0.940 1.00 0.00 H new ATOM 0 HE1 PHE A 90 8.527 -7.963 0.214 1.00 0.00 H new ATOM 0 HE2 PHE A 90 12.083 -7.991 2.556 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.763 -8.726 2.193 1.00 0.00 H new ATOM 1423 N LEU A 91 13.237 -2.888 0.425 1.00 0.00 N ATOM 1424 CA LEU A 91 13.671 -2.386 1.742 1.00 0.00 C ATOM 1425 C LEU A 91 13.082 -0.985 1.997 1.00 0.00 C ATOM 1426 O LEU A 91 13.150 -0.468 3.117 1.00 0.00 O ATOM 1427 CB LEU A 91 15.226 -2.370 1.878 1.00 0.00 C ATOM 1428 CG LEU A 91 15.971 -3.744 1.665 1.00 0.00 C ATOM 1429 CD1 LEU A 91 15.279 -4.887 2.442 1.00 0.00 C ATOM 1430 CD2 LEU A 91 16.132 -4.093 0.157 1.00 0.00 C ATOM 0 H LEU A 91 13.929 -2.765 -0.314 1.00 0.00 H new ATOM 0 HA LEU A 91 13.293 -3.072 2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 91 15.623 -1.653 1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 91 15.477 -1.998 2.871 1.00 0.00 H new ATOM 0 HG LEU A 91 16.975 -3.630 2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 91 15.818 -5.820 2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 91 15.279 -4.655 3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 91 14.252 -4.993 2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 91 16.650 -5.047 0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 91 15.148 -4.164 -0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 91 16.711 -3.313 -0.337 1.00 0.00 H new ATOM 1442 N ASP A 92 12.507 -0.374 0.937 1.00 0.00 N ATOM 1443 CA ASP A 92 11.769 0.889 1.026 1.00 0.00 C ATOM 1444 C ASP A 92 10.279 0.576 1.182 1.00 0.00 C ATOM 1445 O ASP A 92 9.746 -0.310 0.501 1.00 0.00 O ATOM 1446 CB ASP A 92 11.995 1.765 -0.233 1.00 0.00 C ATOM 1447 CG ASP A 92 11.170 3.071 -0.237 1.00 0.00 C ATOM 1448 OD1 ASP A 92 11.566 4.044 0.437 1.00 0.00 O ATOM 1449 OD2 ASP A 92 10.130 3.141 -0.935 1.00 0.00 O ATOM 0 H ASP A 92 12.547 -0.754 -0.009 1.00 0.00 H new ATOM 0 HA ASP A 92 12.131 1.449 1.888 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.054 2.014 -0.306 1.00 0.00 H new ATOM 0 HB3 ASP A 92 11.742 1.183 -1.120 1.00 0.00 H new ATOM 1454 N LYS A 93 9.626 1.293 2.088 1.00 0.00 N ATOM 1455 CA LYS A 93 8.182 1.184 2.321 1.00 0.00 C ATOM 1456 C LYS A 93 7.484 2.395 1.695 1.00 0.00 C ATOM 1457 O LYS A 93 8.046 3.496 1.659 1.00 0.00 O ATOM 1458 CB LYS A 93 7.886 1.105 3.843 1.00 0.00 C ATOM 1459 CG LYS A 93 8.397 2.315 4.663 1.00 0.00 C ATOM 1460 CD LYS A 93 8.040 2.216 6.158 1.00 0.00 C ATOM 1461 CE LYS A 93 8.491 3.441 6.961 1.00 0.00 C ATOM 1462 NZ LYS A 93 8.241 3.262 8.410 1.00 0.00 N ATOM 0 H LYS A 93 10.085 1.976 2.691 1.00 0.00 H new ATOM 0 HA LYS A 93 7.803 0.272 1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 93 6.809 1.015 3.986 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.338 0.196 4.241 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.479 2.389 4.557 1.00 0.00 H new ATOM 0 HG3 LYS A 93 7.973 3.231 4.253 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.962 2.097 6.262 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.501 1.322 6.578 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.554 3.617 6.793 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.962 4.325 6.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.558 4.109 8.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.224 3.119 8.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.766 2.432 8.753 1.00 0.00 H new ATOM 1476 N GLN A 94 6.262 2.183 1.200 1.00 0.00 N ATOM 1477 CA GLN A 94 5.417 3.266 0.656 1.00 0.00 C ATOM 1478 C GLN A 94 4.319 3.627 1.677 1.00 0.00 C ATOM 1479 O GLN A 94 3.282 4.203 1.322 1.00 0.00 O ATOM 1480 CB GLN A 94 4.810 2.832 -0.704 1.00 0.00 C ATOM 1481 CG GLN A 94 5.830 2.294 -1.719 1.00 0.00 C ATOM 1482 CD GLN A 94 5.230 1.904 -3.068 1.00 0.00 C ATOM 1483 OE1 GLN A 94 5.871 0.979 -3.761 1.00 0.00 O flip ATOM 1484 NE2 GLN A 94 4.220 2.454 -3.505 1.00 0.00 N flip ATOM 0 H GLN A 94 5.826 1.262 1.162 1.00 0.00 H new ATOM 0 HA GLN A 94 6.023 4.155 0.481 1.00 0.00 H new ATOM 0 HB2 GLN A 94 4.058 2.064 -0.522 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.294 3.685 -1.145 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.597 3.051 -1.881 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.327 1.424 -1.290 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.745 3.165 -2.949 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.858 2.199 -4.424 1.00 0.00 H new ATOM 1493 N ASN A 95 4.581 3.276 2.956 1.00 0.00 N ATOM 1494 CA ASN A 95 3.700 3.572 4.088 1.00 0.00 C ATOM 1495 C ASN A 95 3.588 5.091 4.292 1.00 0.00 C ATOM 1496 O ASN A 95 4.597 5.767 4.534 1.00 0.00 O ATOM 1497 CB ASN A 95 4.242 2.885 5.373 1.00 0.00 C ATOM 1498 CG ASN A 95 3.487 3.298 6.650 1.00 0.00 C ATOM 1499 OD1 ASN A 95 2.479 2.706 7.009 1.00 0.00 O ATOM 1500 ND2 ASN A 95 3.973 4.325 7.334 1.00 0.00 N ATOM 0 H ASN A 95 5.426 2.772 3.226 1.00 0.00 H new ATOM 0 HA ASN A 95 2.705 3.181 3.876 1.00 0.00 H new ATOM 0 HB2 ASN A 95 4.176 1.804 5.254 1.00 0.00 H new ATOM 0 HB3 ASN A 95 5.298 3.129 5.489 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.504 4.640 8.183 1.00 0.00 H new ATOM 0 HD22 ASN A 95 4.816 4.800 7.011 1.00 0.00 H new ATOM 1507 N ARG A 96 2.361 5.614 4.163 1.00 0.00 N ATOM 1508 CA ARG A 96 2.047 7.034 4.417 1.00 0.00 C ATOM 1509 C ARG A 96 0.750 7.130 5.233 1.00 0.00 C ATOM 1510 O ARG A 96 0.078 6.119 5.502 1.00 0.00 O ATOM 1511 CB ARG A 96 1.842 7.825 3.089 1.00 0.00 C ATOM 1512 CG ARG A 96 2.883 7.593 1.984 1.00 0.00 C ATOM 1513 CD ARG A 96 2.551 8.388 0.706 1.00 0.00 C ATOM 1514 NE ARG A 96 1.118 8.297 0.329 1.00 0.00 N ATOM 1515 CZ ARG A 96 0.623 8.067 -0.905 1.00 0.00 C ATOM 1516 NH1 ARG A 96 1.428 7.876 -1.943 1.00 0.00 N ATOM 1517 NH2 ARG A 96 -0.695 8.066 -1.085 1.00 0.00 N ATOM 0 H ARG A 96 1.551 5.064 3.878 1.00 0.00 H new ATOM 0 HA ARG A 96 2.888 7.466 4.959 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.859 7.573 2.690 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.827 8.889 3.325 1.00 0.00 H new ATOM 0 HG2 ARG A 96 3.869 7.884 2.347 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.931 6.530 1.748 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.817 9.434 0.855 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.163 8.017 -0.116 1.00 0.00 H new ATOM 0 HE ARG A 96 0.438 8.421 1.079 1.00 0.00 H new ATOM 0 HH11 ARG A 96 2.440 7.902 -1.815 1.00 0.00 H new ATOM 0 HH12 ARG A 96 1.035 7.703 -2.868 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -1.318 8.238 -0.296 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -1.083 7.894 -2.012 1.00 0.00 H new ATOM 1531 N GLU A 97 0.394 8.360 5.604 1.00 0.00 N ATOM 1532 CA GLU A 97 -0.926 8.693 6.143 1.00 0.00 C ATOM 1533 C GLU A 97 -1.722 9.400 5.043 1.00 0.00 C ATOM 1534 O GLU A 97 -1.312 10.460 4.553 1.00 0.00 O ATOM 1535 CB GLU A 97 -0.817 9.582 7.406 1.00 0.00 C ATOM 1536 CG GLU A 97 -2.169 10.150 7.893 1.00 0.00 C ATOM 1537 CD GLU A 97 -2.084 10.847 9.253 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -1.680 12.025 9.304 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -2.421 10.216 10.276 1.00 0.00 O ATOM 0 H GLU A 97 1.020 9.162 5.538 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.436 7.780 6.449 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.368 8.999 8.210 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.140 10.411 7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.544 10.858 7.154 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.894 9.339 7.954 1.00 0.00 H new ATOM 1546 N GLU A 98 -2.836 8.790 4.629 1.00 0.00 N ATOM 1547 CA GLU A 98 -3.710 9.342 3.595 1.00 0.00 C ATOM 1548 C GLU A 98 -4.873 10.107 4.244 1.00 0.00 C ATOM 1549 O GLU A 98 -5.513 9.610 5.157 1.00 0.00 O ATOM 1550 CB GLU A 98 -4.250 8.207 2.695 1.00 0.00 C ATOM 1551 CG GLU A 98 -5.129 8.690 1.523 1.00 0.00 C ATOM 1552 CD GLU A 98 -4.367 9.571 0.519 1.00 0.00 C ATOM 1553 OE1 GLU A 98 -3.527 9.033 -0.233 1.00 0.00 O ATOM 1554 OE2 GLU A 98 -4.612 10.797 0.463 1.00 0.00 O ATOM 0 H GLU A 98 -3.156 7.897 5.004 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.137 10.034 2.978 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.407 7.645 2.294 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.830 7.517 3.308 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -5.536 7.824 1.001 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.976 9.250 1.919 1.00 0.00 H new ATOM 1561 N THR A 99 -5.136 11.316 3.769 1.00 0.00 N ATOM 1562 CA THR A 99 -6.288 12.106 4.213 1.00 0.00 C ATOM 1563 C THR A 99 -6.923 12.782 3.006 1.00 0.00 C ATOM 1564 O THR A 99 -6.344 13.713 2.425 1.00 0.00 O ATOM 1565 CB THR A 99 -5.895 13.159 5.298 1.00 0.00 C ATOM 1566 OG1 THR A 99 -5.280 12.494 6.413 1.00 0.00 O ATOM 1567 CG2 THR A 99 -7.115 13.956 5.800 1.00 0.00 C ATOM 0 H THR A 99 -4.561 11.781 3.066 1.00 0.00 H new ATOM 0 HA THR A 99 -7.008 11.434 4.679 1.00 0.00 H new ATOM 0 HB THR A 99 -5.199 13.860 4.837 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.033 13.155 7.092 1.00 0.00 H new ATOM 0 HG21 THR A 99 -6.794 14.676 6.553 1.00 0.00 H new ATOM 0 HG22 THR A 99 -7.573 14.485 4.964 1.00 0.00 H new ATOM 0 HG23 THR A 99 -7.841 13.272 6.238 1.00 0.00 H new ATOM 1575 N VAL A 100 -8.095 12.273 2.603 1.00 0.00 N ATOM 1576 CA VAL A 100 -8.852 12.814 1.475 1.00 0.00 C ATOM 1577 C VAL A 100 -9.707 13.991 1.992 1.00 0.00 C ATOM 1578 O VAL A 100 -10.223 13.947 3.121 1.00 0.00 O ATOM 1579 CB VAL A 100 -9.737 11.701 0.775 1.00 0.00 C ATOM 1580 CG1 VAL A 100 -8.977 10.351 0.684 1.00 0.00 C ATOM 1581 CG2 VAL A 100 -11.106 11.509 1.457 1.00 0.00 C ATOM 0 H VAL A 100 -8.542 11.474 3.053 1.00 0.00 H new ATOM 0 HA VAL A 100 -8.166 13.172 0.708 1.00 0.00 H new ATOM 0 HB VAL A 100 -9.933 12.059 -0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -9.611 9.609 0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.065 10.485 0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.720 10.010 1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -11.668 10.735 0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -10.957 11.211 2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -11.663 12.445 1.425 1.00 0.00 H new ATOM 1591 N ILE A 101 -9.818 15.052 1.191 1.00 0.00 N ATOM 1592 CA ILE A 101 -10.582 16.259 1.558 1.00 0.00 C ATOM 1593 C ILE A 101 -11.756 16.441 0.582 1.00 0.00 C ATOM 1594 O ILE A 101 -11.544 16.631 -0.613 1.00 0.00 O ATOM 1595 CB ILE A 101 -9.655 17.532 1.578 1.00 0.00 C ATOM 1596 CG1 ILE A 101 -8.552 17.420 2.685 1.00 0.00 C ATOM 1597 CG2 ILE A 101 -10.468 18.834 1.734 1.00 0.00 C ATOM 1598 CD1 ILE A 101 -9.075 17.366 4.117 1.00 0.00 C ATOM 0 H ILE A 101 -9.384 15.105 0.270 1.00 0.00 H new ATOM 0 HA ILE A 101 -10.979 16.134 2.565 1.00 0.00 H new ATOM 0 HB ILE A 101 -9.154 17.576 0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -7.960 16.524 2.497 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -7.879 18.272 2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -9.790 19.687 1.743 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -11.163 18.931 0.900 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -11.026 18.804 2.670 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -8.236 17.289 4.808 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -9.640 18.273 4.332 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.723 16.498 4.235 1.00 0.00 H new ATOM 1610 N TYR A 102 -12.981 16.289 1.117 1.00 0.00 N ATOM 1611 CA TYR A 102 -14.245 16.511 0.411 1.00 0.00 C ATOM 1612 C TYR A 102 -14.564 18.005 0.400 1.00 0.00 C ATOM 1613 O TYR A 102 -14.922 18.579 1.436 1.00 0.00 O ATOM 1614 CB TYR A 102 -15.406 15.729 1.094 1.00 0.00 C ATOM 1615 CG TYR A 102 -15.299 14.206 0.975 1.00 0.00 C ATOM 1616 CD1 TYR A 102 -15.838 13.535 -0.126 1.00 0.00 C ATOM 1617 CD2 TYR A 102 -14.661 13.438 1.953 1.00 0.00 C ATOM 1618 CE1 TYR A 102 -15.743 12.164 -0.239 1.00 0.00 C ATOM 1619 CE2 TYR A 102 -14.568 12.067 1.836 1.00 0.00 C ATOM 1620 CZ TYR A 102 -15.107 11.439 0.742 1.00 0.00 C ATOM 1621 OH TYR A 102 -15.006 10.078 0.627 1.00 0.00 O ATOM 0 H TYR A 102 -13.117 15.998 2.085 1.00 0.00 H new ATOM 0 HA TYR A 102 -14.143 16.148 -0.612 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -15.437 15.997 2.150 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -16.351 16.050 0.656 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -16.337 14.099 -0.900 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -14.233 13.927 2.816 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -16.167 11.661 -1.095 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -14.073 11.490 2.603 1.00 0.00 H new ATOM 0 HH TYR A 102 -14.261 9.758 1.177 1.00 0.00 H new ATOM 1631 N SER A 103 -14.452 18.626 -0.768 1.00 0.00 N ATOM 1632 CA SER A 103 -14.677 20.059 -0.930 1.00 0.00 C ATOM 1633 C SER A 103 -16.116 20.269 -1.400 1.00 0.00 C ATOM 1634 O SER A 103 -16.564 19.585 -2.332 1.00 0.00 O ATOM 1635 CB SER A 103 -13.663 20.632 -1.941 1.00 0.00 C ATOM 1636 OG SER A 103 -13.663 19.872 -3.135 1.00 0.00 O ATOM 0 H SER A 103 -14.201 18.149 -1.634 1.00 0.00 H new ATOM 0 HA SER A 103 -14.533 20.583 0.015 1.00 0.00 H new ATOM 0 HB2 SER A 103 -13.911 21.670 -2.164 1.00 0.00 H new ATOM 0 HB3 SER A 103 -12.665 20.630 -1.503 1.00 0.00 H new ATOM 0 HG SER A 103 -14.546 19.466 -3.265 1.00 0.00 H new ATOM 1642 N ALA A 104 -16.835 21.185 -0.732 1.00 0.00 N ATOM 1643 CA ALA A 104 -18.232 21.512 -1.050 1.00 0.00 C ATOM 1644 C ALA A 104 -18.294 22.298 -2.363 1.00 0.00 C ATOM 1645 O ALA A 104 -18.065 23.510 -2.387 1.00 0.00 O ATOM 1646 CB ALA A 104 -18.880 22.302 0.102 1.00 0.00 C ATOM 0 H ALA A 104 -16.460 21.723 0.049 1.00 0.00 H new ATOM 0 HA ALA A 104 -18.795 20.587 -1.173 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -19.914 22.535 -0.153 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -18.856 21.703 1.012 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -18.329 23.229 0.263 1.00 0.00 H new ATOM 1652 N ASN A 105 -18.549 21.562 -3.449 1.00 0.00 N ATOM 1653 CA ASN A 105 -18.700 22.112 -4.808 1.00 0.00 C ATOM 1654 C ASN A 105 -19.991 22.946 -4.898 1.00 0.00 C ATOM 1655 O ASN A 105 -20.868 22.859 -4.024 1.00 0.00 O ATOM 1656 CB ASN A 105 -18.752 20.956 -5.844 1.00 0.00 C ATOM 1657 CG ASN A 105 -17.622 19.957 -5.692 1.00 0.00 C ATOM 1658 OD1 ASN A 105 -17.854 18.925 -4.910 1.00 0.00 O flip ATOM 1659 ND2 ASN A 105 -16.554 20.105 -6.270 1.00 0.00 N flip ATOM 0 H ASN A 105 -18.659 20.549 -3.412 1.00 0.00 H new ATOM 0 HA ASN A 105 -17.845 22.752 -5.026 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -19.704 20.434 -5.746 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -18.721 21.377 -6.849 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -16.407 20.917 -6.869 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -15.811 19.416 -6.153 1.00 0.00 H new