USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 698 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 31 HIS : no HE2:sc= -0.904 X(o=-1.7,f=-2) USER MOD Set 1.2: A 35 HIS : no HE2:sc= -1.05 X(o=-1.7,f=-2) USER MOD Set 1.3: A 55 HIS : no HE2:sc= 0.289 K(o=-1.7,f=-5) USER MOD Set 2.1: A 37 THR OG1 : rot -152:sc= 1.23 USER MOD Set 2.2: A 85 GLN : amide:sc= -0.659 K(o=0.57,f=-6!) USER MOD Set 3.1: A 30 ASN : amide:sc= 0.194 K(o=0.015,f=-0.96) USER MOD Set 3.2: A 33 GLN : amide:sc= -0.179 K(o=0.015,f=-6!) USER MOD Single : A 4 THR OG1 : rot 150:sc= 1.01 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc=-0.00636 USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= -1.56 K(o=-1.6,f=-4.3!) USER MOD Single : A 34 MET CE :methyl 157:sc= 0 (180deg=-0.332) USER MOD Single : A 38 SER OG : rot -82:sc= 1.29 USER MOD Single : A 57 SER OG : rot 180:sc= 0.00328 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN :FLIP amide:sc= -1.01 F(o=-1.6,f=-1) USER MOD Single : A 64 GLN : amide:sc= -1.48! C(o=-1.5!,f=-2!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 71 GLN : amide:sc= -3.29! C(o=-3.3!,f=-5.3!) USER MOD Single : A 76 LYS NZ :NH3+ -158:sc= -0.0769 (180deg=-0.538) USER MOD Single : A 77 GLN : amide:sc= -0.873 K(o=-0.87,f=-1.6) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.72 F(o=-1.6,f=-0.72) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 GLN :FLIP amide:sc= -0.778 F(o=-1.6!,f=-0.78) USER MOD Single : A 90 GLN : amide:sc= -0.0644 X(o=-0.064,f=-0.47) USER MOD Single : A 93 GLN : amide:sc= -0.44 K(o=-0.44,f=-1.2) USER MOD Single : A 94 GLN : amide:sc=-0.00664 K(o=-0.0066,f=-0.94) USER MOD Single : A 95 GLN :FLIP amide:sc= -0.672 F(o=-1.5!,f=-0.67) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -148:sc= 0.105 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 105 MET CE :methyl 165:sc= -0.0145 (180deg=-0.287) USER MOD Single : A 108 ASN : amide:sc= -0.0383 K(o=-0.038,f=-1.4!) USER MOD Single : A 109 GLN : amide:sc= -0.347 K(o=-0.35,f=-2.8!) USER MOD Single : A 111 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.63) USER MOD Single : A 113 GLN : amide:sc= -0.0279 X(o=-0.028,f=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N CYS A 3 3.706 -19.705 1.607 1.00 0.00 N ATOM 35 CA CYS A 3 3.972 -20.810 0.738 1.00 0.00 C ATOM 36 C CYS A 3 4.541 -21.950 1.545 1.00 0.00 C ATOM 37 O CYS A 3 5.175 -21.732 2.586 1.00 0.00 O ATOM 38 CB CYS A 3 4.939 -20.426 -0.378 1.00 0.00 C ATOM 39 SG CYS A 3 4.402 -19.019 -1.426 1.00 0.00 S ATOM 0 HA CYS A 3 3.035 -21.114 0.271 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.903 -20.180 0.067 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.095 -21.295 -1.017 1.00 0.00 H new ATOM 44 N THR A 4 4.273 -23.145 1.116 1.00 0.00 N ATOM 45 CA THR A 4 4.775 -24.318 1.766 1.00 0.00 C ATOM 46 C THR A 4 6.163 -24.663 1.218 1.00 0.00 C ATOM 47 O THR A 4 6.530 -24.233 0.101 1.00 0.00 O ATOM 48 CB THR A 4 3.821 -25.500 1.519 1.00 0.00 C ATOM 49 OG1 THR A 4 3.696 -25.717 0.105 1.00 0.00 O ATOM 50 CG2 THR A 4 2.440 -25.215 2.096 1.00 0.00 C ATOM 0 H THR A 4 3.695 -23.336 0.298 1.00 0.00 H new ATOM 0 HA THR A 4 4.846 -24.126 2.837 1.00 0.00 H new ATOM 0 HB THR A 4 4.231 -26.383 2.008 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.526 -26.667 -0.066 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.785 -26.065 1.908 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.522 -25.050 3.170 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.024 -24.325 1.623 1.00 0.00 H new ATOM 58 N LYS A 5 6.938 -25.399 1.980 1.00 0.00 N ATOM 59 CA LYS A 5 8.231 -25.836 1.535 1.00 0.00 C ATOM 60 C LYS A 5 8.110 -27.185 0.881 1.00 0.00 C ATOM 61 O LYS A 5 8.364 -28.213 1.493 1.00 0.00 O ATOM 62 CB LYS A 5 9.252 -25.870 2.686 1.00 0.00 C ATOM 63 CG LYS A 5 9.410 -24.538 3.398 1.00 0.00 C ATOM 64 CD LYS A 5 9.688 -23.446 2.399 1.00 0.00 C ATOM 65 CE LYS A 5 9.861 -22.097 3.049 1.00 0.00 C ATOM 66 NZ LYS A 5 10.065 -21.044 2.033 1.00 0.00 N ATOM 0 H LYS A 5 6.688 -25.708 2.919 1.00 0.00 H new ATOM 0 HA LYS A 5 8.603 -25.116 0.806 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.946 -26.625 3.410 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.220 -26.179 2.293 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.504 -24.307 3.958 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.225 -24.597 4.120 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.589 -23.693 1.837 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.869 -23.397 1.682 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.982 -21.863 3.650 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.713 -22.123 3.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.182 -20.124 2.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.917 -21.259 1.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.240 -21.007 1.401 1.00 0.00 H new ATOM 80 N SER A 6 7.626 -27.175 -0.320 1.00 0.00 N ATOM 81 CA SER A 6 7.459 -28.363 -1.089 1.00 0.00 C ATOM 82 C SER A 6 7.562 -27.968 -2.542 1.00 0.00 C ATOM 83 O SER A 6 7.663 -26.768 -2.845 1.00 0.00 O ATOM 84 CB SER A 6 6.080 -28.966 -0.781 1.00 0.00 C ATOM 85 OG SER A 6 5.860 -30.210 -1.442 1.00 0.00 O ATOM 0 H SER A 6 7.331 -26.325 -0.801 1.00 0.00 H new ATOM 0 HA SER A 6 8.216 -29.110 -0.852 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.984 -29.110 0.295 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.305 -28.260 -1.079 1.00 0.00 H new ATOM 0 HG SER A 6 4.970 -30.550 -1.211 1.00 0.00 H new ATOM 91 N ILE A 7 7.597 -28.939 -3.419 1.00 0.00 N ATOM 92 CA ILE A 7 7.618 -28.696 -4.833 1.00 0.00 C ATOM 93 C ILE A 7 6.503 -29.527 -5.482 1.00 0.00 C ATOM 94 O ILE A 7 6.494 -30.767 -5.361 1.00 0.00 O ATOM 95 CB ILE A 7 9.005 -29.014 -5.517 1.00 0.00 C ATOM 96 CG1 ILE A 7 10.161 -28.172 -4.919 1.00 0.00 C ATOM 97 CG2 ILE A 7 8.933 -28.790 -7.025 1.00 0.00 C ATOM 98 CD1 ILE A 7 10.756 -28.709 -3.627 1.00 0.00 C ATOM 0 H ILE A 7 7.612 -29.927 -3.166 1.00 0.00 H new ATOM 0 HA ILE A 7 7.457 -27.629 -4.984 1.00 0.00 H new ATOM 0 HB ILE A 7 9.217 -30.064 -5.318 1.00 0.00 H new ATOM 0 HG12 ILE A 7 10.955 -28.097 -5.662 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.796 -27.161 -4.739 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.901 -29.016 -7.473 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.173 -29.443 -7.454 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.674 -27.751 -7.226 1.00 0.00 H new ATOM 0 HD11 ILE A 7 11.556 -28.048 -3.293 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.981 -28.757 -2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 7 11.158 -29.707 -3.799 1.00 0.00 H new ATOM 110 N PRO A 8 5.511 -28.882 -6.121 1.00 0.00 N ATOM 111 CA PRO A 8 5.422 -27.416 -6.217 1.00 0.00 C ATOM 112 C PRO A 8 4.983 -26.781 -4.884 1.00 0.00 C ATOM 113 O PRO A 8 4.250 -27.408 -4.095 1.00 0.00 O ATOM 114 CB PRO A 8 4.337 -27.209 -7.276 1.00 0.00 C ATOM 115 CG PRO A 8 3.471 -28.408 -7.152 1.00 0.00 C ATOM 116 CD PRO A 8 4.390 -29.543 -6.810 1.00 0.00 C ATOM 0 HA PRO A 8 6.379 -26.956 -6.462 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.775 -26.292 -7.096 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.766 -27.130 -8.275 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.718 -28.268 -6.377 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.938 -28.603 -8.083 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.901 -30.276 -6.169 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.723 -30.072 -7.703 1.00 0.00 H new ATOM 124 N PRO A 9 5.459 -25.569 -4.587 1.00 0.00 N ATOM 125 CA PRO A 9 5.085 -24.868 -3.371 1.00 0.00 C ATOM 126 C PRO A 9 3.632 -24.418 -3.423 1.00 0.00 C ATOM 127 O PRO A 9 3.128 -23.970 -4.472 1.00 0.00 O ATOM 128 CB PRO A 9 6.022 -23.660 -3.336 1.00 0.00 C ATOM 129 CG PRO A 9 6.401 -23.435 -4.756 1.00 0.00 C ATOM 130 CD PRO A 9 6.419 -24.791 -5.400 1.00 0.00 C ATOM 0 HA PRO A 9 5.173 -25.497 -2.485 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.525 -22.786 -2.915 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.899 -23.856 -2.719 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.686 -22.778 -5.251 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.377 -22.956 -4.828 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.114 -24.743 -6.445 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.415 -25.233 -5.378 1.00 0.00 H new ATOM 138 N ILE A 10 2.962 -24.547 -2.327 1.00 0.00 N ATOM 139 CA ILE A 10 1.583 -24.174 -2.242 1.00 0.00 C ATOM 140 C ILE A 10 1.532 -22.801 -1.653 1.00 0.00 C ATOM 141 O ILE A 10 1.911 -22.612 -0.505 1.00 0.00 O ATOM 142 CB ILE A 10 0.788 -25.148 -1.335 1.00 0.00 C ATOM 143 CG1 ILE A 10 0.976 -26.603 -1.803 1.00 0.00 C ATOM 144 CG2 ILE A 10 -0.696 -24.773 -1.285 1.00 0.00 C ATOM 145 CD1 ILE A 10 0.516 -26.881 -3.217 1.00 0.00 C ATOM 0 H ILE A 10 3.353 -24.915 -1.460 1.00 0.00 H new ATOM 0 HA ILE A 10 1.133 -24.206 -3.234 1.00 0.00 H new ATOM 0 HB ILE A 10 1.183 -25.063 -0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.032 -26.862 -1.722 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.434 -27.261 -1.124 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.227 -25.474 -0.641 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.803 -23.764 -0.888 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.116 -24.814 -2.290 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.688 -27.930 -3.456 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.548 -26.659 -3.304 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.075 -26.254 -3.911 1.00 0.00 H new ATOM 157 N CYS A 11 1.146 -21.853 -2.435 1.00 0.00 N ATOM 158 CA CYS A 11 1.075 -20.510 -1.965 1.00 0.00 C ATOM 159 C CYS A 11 -0.352 -20.114 -1.742 1.00 0.00 C ATOM 160 O CYS A 11 -1.209 -20.264 -2.621 1.00 0.00 O ATOM 161 CB CYS A 11 1.794 -19.547 -2.904 1.00 0.00 C ATOM 162 SG CYS A 11 3.581 -19.891 -3.075 1.00 0.00 S ATOM 0 H CYS A 11 0.873 -21.983 -3.409 1.00 0.00 H new ATOM 0 HA CYS A 11 1.593 -20.454 -1.008 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.327 -19.595 -3.888 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.662 -18.529 -2.538 1.00 0.00 H new ATOM 310 N CYS A 22 2.699 -9.256 -1.839 1.00 0.00 N ATOM 311 CA CYS A 22 3.995 -9.016 -1.316 1.00 0.00 C ATOM 312 C CYS A 22 3.880 -8.235 -0.028 1.00 0.00 C ATOM 313 O CYS A 22 3.083 -7.282 0.073 1.00 0.00 O ATOM 314 CB CYS A 22 4.841 -8.239 -2.313 1.00 0.00 C ATOM 315 SG CYS A 22 5.389 -9.182 -3.770 1.00 0.00 S ATOM 0 HA CYS A 22 4.479 -9.974 -1.124 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.270 -7.375 -2.654 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.721 -7.856 -1.797 1.00 0.00 H new ATOM 320 N GLN A 23 4.588 -8.673 0.965 1.00 0.00 N ATOM 321 CA GLN A 23 4.639 -7.973 2.207 1.00 0.00 C ATOM 322 C GLN A 23 5.993 -7.306 2.339 1.00 0.00 C ATOM 323 O GLN A 23 7.036 -7.963 2.478 1.00 0.00 O ATOM 324 CB GLN A 23 4.312 -8.886 3.383 1.00 0.00 C ATOM 325 CG GLN A 23 5.211 -10.094 3.521 1.00 0.00 C ATOM 326 CD GLN A 23 4.823 -10.973 4.682 1.00 0.00 C ATOM 327 OE1 GLN A 23 4.281 -10.505 5.686 1.00 0.00 O ATOM 328 NE2 GLN A 23 5.113 -12.229 4.581 1.00 0.00 N ATOM 0 H GLN A 23 5.147 -9.526 0.936 1.00 0.00 H new ATOM 0 HA GLN A 23 3.872 -7.199 2.221 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.367 -8.303 4.303 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.282 -9.228 3.283 1.00 0.00 H new ATOM 0 HG2 GLN A 23 5.175 -10.677 2.600 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.242 -9.763 3.649 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.561 -12.583 3.736 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.893 -12.866 5.347 1.00 0.00 H new ATOM 337 N ILE A 24 5.992 -6.037 2.225 1.00 0.00 N ATOM 338 CA ILE A 24 7.211 -5.286 2.236 1.00 0.00 C ATOM 339 C ILE A 24 7.368 -4.643 3.608 1.00 0.00 C ATOM 340 O ILE A 24 6.369 -4.193 4.192 1.00 0.00 O ATOM 341 CB ILE A 24 7.250 -4.191 1.098 1.00 0.00 C ATOM 342 CG1 ILE A 24 6.935 -4.768 -0.302 1.00 0.00 C ATOM 343 CG2 ILE A 24 8.604 -3.520 1.035 1.00 0.00 C ATOM 344 CD1 ILE A 24 5.492 -5.090 -0.580 1.00 0.00 C ATOM 0 H ILE A 24 5.148 -5.473 2.120 1.00 0.00 H new ATOM 0 HA ILE A 24 8.041 -5.964 2.038 1.00 0.00 H new ATOM 0 HB ILE A 24 6.477 -3.469 1.361 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.277 -4.054 -1.051 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.521 -5.677 -0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.602 -2.771 0.243 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.816 -3.038 1.990 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.371 -4.266 0.827 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.396 -5.487 -1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.140 -5.833 0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.893 -4.184 -0.487 1.00 0.00 H new ATOM 356 N ARG A 25 8.593 -4.602 4.126 1.00 0.00 N ATOM 357 CA ARG A 25 8.839 -4.072 5.440 1.00 0.00 C ATOM 358 C ARG A 25 8.573 -2.586 5.486 1.00 0.00 C ATOM 359 O ARG A 25 9.262 -1.789 4.859 1.00 0.00 O ATOM 360 CB ARG A 25 10.242 -4.446 5.964 1.00 0.00 C ATOM 361 CG ARG A 25 11.447 -3.907 5.194 1.00 0.00 C ATOM 362 CD ARG A 25 12.718 -4.557 5.717 1.00 0.00 C ATOM 363 NE ARG A 25 13.944 -4.034 5.099 1.00 0.00 N ATOM 364 CZ ARG A 25 15.048 -4.768 4.830 1.00 0.00 C ATOM 365 NH1 ARG A 25 15.073 -6.077 5.078 1.00 0.00 N ATOM 366 NH2 ARG A 25 16.123 -4.181 4.331 1.00 0.00 N ATOM 0 H ARG A 25 9.427 -4.935 3.643 1.00 0.00 H new ATOM 0 HA ARG A 25 8.132 -4.541 6.124 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.319 -4.101 6.995 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.315 -5.533 5.985 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.333 -4.112 4.130 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.508 -2.824 5.305 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.774 -4.410 6.796 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.664 -5.632 5.544 1.00 0.00 H new ATOM 0 HE ARG A 25 13.964 -3.044 4.855 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.254 -6.537 5.475 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.912 -6.619 4.871 1.00 0.00 H new ATOM 0 HH21 ARG A 25 16.118 -3.177 4.150 1.00 0.00 H new ATOM 0 HH22 ARG A 25 16.957 -4.732 4.127 1.00 0.00 H new ATOM 380 N ILE A 26 7.566 -2.218 6.243 1.00 0.00 N ATOM 381 CA ILE A 26 7.104 -0.839 6.332 1.00 0.00 C ATOM 382 C ILE A 26 8.159 0.115 6.862 1.00 0.00 C ATOM 383 O ILE A 26 8.063 1.326 6.677 1.00 0.00 O ATOM 384 CB ILE A 26 5.751 -0.716 7.112 1.00 0.00 C ATOM 385 CG1 ILE A 26 5.798 -1.285 8.561 1.00 0.00 C ATOM 386 CG2 ILE A 26 4.665 -1.413 6.335 1.00 0.00 C ATOM 387 CD1 ILE A 26 6.541 -0.443 9.582 1.00 0.00 C ATOM 0 H ILE A 26 7.035 -2.868 6.822 1.00 0.00 H new ATOM 0 HA ILE A 26 6.910 -0.526 5.306 1.00 0.00 H new ATOM 0 HB ILE A 26 5.548 0.350 7.210 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.774 -1.423 8.909 1.00 0.00 H new ATOM 0 HG13 ILE A 26 6.260 -2.272 8.528 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.721 -1.330 6.874 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.564 -0.949 5.354 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.922 -2.465 6.214 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.509 -0.936 10.553 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.579 -0.324 9.270 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.070 0.537 9.657 1.00 0.00 H new ATOM 399 N GLN A 27 9.193 -0.444 7.457 1.00 0.00 N ATOM 400 CA GLN A 27 10.255 0.339 8.037 1.00 0.00 C ATOM 401 C GLN A 27 11.120 0.926 6.939 1.00 0.00 C ATOM 402 O GLN A 27 11.771 1.945 7.130 1.00 0.00 O ATOM 403 CB GLN A 27 11.100 -0.525 8.977 1.00 0.00 C ATOM 404 CG GLN A 27 11.900 -1.621 8.281 1.00 0.00 C ATOM 405 CD GLN A 27 12.591 -2.550 9.248 1.00 0.00 C ATOM 406 OE1 GLN A 27 12.041 -3.574 9.637 1.00 0.00 O ATOM 407 NE2 GLN A 27 13.777 -2.207 9.650 1.00 0.00 N ATOM 0 H GLN A 27 9.317 -1.452 7.550 1.00 0.00 H new ATOM 0 HA GLN A 27 9.819 1.153 8.616 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.789 0.120 9.522 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.443 -0.985 9.715 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.233 -2.200 7.643 1.00 0.00 H new ATOM 0 HG3 GLN A 27 12.645 -1.162 7.631 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.204 -1.347 9.305 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.282 -2.797 10.311 1.00 0.00 H new ATOM 416 N GLN A 28 11.100 0.297 5.770 1.00 0.00 N ATOM 417 CA GLN A 28 11.923 0.758 4.697 1.00 0.00 C ATOM 418 C GLN A 28 11.224 1.899 3.966 1.00 0.00 C ATOM 419 O GLN A 28 11.854 2.857 3.526 1.00 0.00 O ATOM 420 CB GLN A 28 12.293 -0.373 3.724 1.00 0.00 C ATOM 421 CG GLN A 28 11.200 -0.797 2.770 1.00 0.00 C ATOM 422 CD GLN A 28 11.718 -1.429 1.501 1.00 0.00 C ATOM 423 OE1 GLN A 28 11.083 -1.345 0.469 1.00 0.00 O ATOM 424 NE2 GLN A 28 12.881 -2.013 1.548 1.00 0.00 N ATOM 0 H GLN A 28 10.527 -0.520 5.558 1.00 0.00 H new ATOM 0 HA GLN A 28 12.858 1.123 5.123 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.158 -0.058 3.140 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.601 -1.242 4.305 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.542 -1.504 3.276 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.596 0.073 2.513 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.389 -2.067 2.431 1.00 0.00 H new ATOM 0 HE22 GLN A 28 13.284 -2.416 0.702 1.00 0.00 H new ATOM 433 N LEU A 29 9.894 1.826 3.909 1.00 0.00 N ATOM 434 CA LEU A 29 9.122 2.829 3.187 1.00 0.00 C ATOM 435 C LEU A 29 8.898 4.041 3.995 1.00 0.00 C ATOM 436 O LEU A 29 8.439 5.046 3.466 1.00 0.00 O ATOM 437 CB LEU A 29 7.767 2.335 2.681 1.00 0.00 C ATOM 438 CG LEU A 29 7.773 1.249 1.624 1.00 0.00 C ATOM 439 CD1 LEU A 29 8.904 1.468 0.622 1.00 0.00 C ATOM 440 CD2 LEU A 29 7.782 -0.130 2.243 1.00 0.00 C ATOM 0 H LEU A 29 9.338 1.092 4.348 1.00 0.00 H new ATOM 0 HA LEU A 29 9.741 3.059 2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.200 1.969 3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.224 3.191 2.282 1.00 0.00 H new ATOM 0 HG LEU A 29 6.843 1.314 1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.886 0.675 -0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.774 2.433 0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.861 1.453 1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.786 -0.883 1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.673 -0.246 2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.893 -0.257 2.861 1.00 0.00 H new ATOM 452 N ASN A 30 9.255 3.969 5.258 1.00 0.00 N ATOM 453 CA ASN A 30 9.050 5.068 6.174 1.00 0.00 C ATOM 454 C ASN A 30 9.754 6.322 5.681 1.00 0.00 C ATOM 455 O ASN A 30 9.265 7.417 5.882 1.00 0.00 O ATOM 456 CB ASN A 30 9.514 4.707 7.589 1.00 0.00 C ATOM 457 CG ASN A 30 9.208 5.793 8.630 1.00 0.00 C ATOM 458 OD1 ASN A 30 9.956 5.970 9.580 1.00 0.00 O ATOM 459 ND2 ASN A 30 8.099 6.482 8.488 1.00 0.00 N ATOM 0 H ASN A 30 9.694 3.150 5.678 1.00 0.00 H new ATOM 0 HA ASN A 30 7.980 5.270 6.215 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.034 3.777 7.894 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.588 4.521 7.574 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.844 7.186 9.181 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.493 6.313 7.685 1.00 0.00 H new ATOM 466 N HIS A 31 10.868 6.153 4.960 1.00 0.00 N ATOM 467 CA HIS A 31 11.595 7.310 4.450 1.00 0.00 C ATOM 468 C HIS A 31 10.769 7.951 3.356 1.00 0.00 C ATOM 469 O HIS A 31 10.452 9.126 3.427 1.00 0.00 O ATOM 470 CB HIS A 31 12.962 6.931 3.869 1.00 0.00 C ATOM 471 CG HIS A 31 13.904 8.108 3.733 1.00 0.00 C ATOM 472 ND1 HIS A 31 15.171 8.144 4.267 1.00 0.00 N ATOM 473 CD2 HIS A 31 13.736 9.305 3.103 1.00 0.00 C ATOM 474 CE1 HIS A 31 15.717 9.321 3.963 1.00 0.00 C ATOM 475 NE2 HIS A 31 14.886 10.066 3.254 1.00 0.00 N ATOM 0 H HIS A 31 11.274 5.248 4.723 1.00 0.00 H new ATOM 0 HA HIS A 31 11.764 7.993 5.283 1.00 0.00 H new ATOM 0 HB2 HIS A 31 13.424 6.177 4.507 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.819 6.475 2.890 1.00 0.00 H new ATOM 0 HD1 HIS A 31 15.616 7.399 4.803 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.848 9.612 2.571 1.00 0.00 H new ATOM 0 HE1 HIS A 31 16.710 9.627 4.258 1.00 0.00 H new ATOM 483 N CYS A 32 10.408 7.138 2.370 1.00 0.00 N ATOM 484 CA CYS A 32 9.639 7.551 1.201 1.00 0.00 C ATOM 485 C CYS A 32 8.349 8.243 1.683 1.00 0.00 C ATOM 486 O CYS A 32 8.043 9.371 1.299 1.00 0.00 O ATOM 487 CB CYS A 32 9.312 6.277 0.406 1.00 0.00 C ATOM 488 SG CYS A 32 9.259 6.445 -1.399 1.00 0.00 S ATOM 0 H CYS A 32 10.648 6.147 2.361 1.00 0.00 H new ATOM 0 HA CYS A 32 10.190 8.250 0.572 1.00 0.00 H new ATOM 0 HB2 CYS A 32 10.053 5.518 0.657 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.345 5.903 0.743 1.00 0.00 H new ATOM 493 N GLN A 33 7.662 7.557 2.581 1.00 0.00 N ATOM 494 CA GLN A 33 6.474 8.010 3.245 1.00 0.00 C ATOM 495 C GLN A 33 6.666 9.381 3.937 1.00 0.00 C ATOM 496 O GLN A 33 6.014 10.359 3.571 1.00 0.00 O ATOM 497 CB GLN A 33 6.113 6.951 4.277 1.00 0.00 C ATOM 498 CG GLN A 33 5.039 7.353 5.240 1.00 0.00 C ATOM 499 CD GLN A 33 4.904 6.407 6.421 1.00 0.00 C ATOM 500 OE1 GLN A 33 5.881 5.797 6.873 1.00 0.00 O ATOM 501 NE2 GLN A 33 3.715 6.273 6.936 1.00 0.00 N ATOM 0 H GLN A 33 7.942 6.621 2.875 1.00 0.00 H new ATOM 0 HA GLN A 33 5.681 8.149 2.510 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.794 6.049 3.755 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.009 6.693 4.841 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.250 8.356 5.610 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.087 7.401 4.712 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.928 6.789 6.543 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.571 5.653 7.733 1.00 0.00 H new ATOM 510 N MET A 34 7.592 9.450 4.902 1.00 0.00 N ATOM 511 CA MET A 34 7.751 10.659 5.727 1.00 0.00 C ATOM 512 C MET A 34 8.259 11.829 4.917 1.00 0.00 C ATOM 513 O MET A 34 7.871 12.971 5.149 1.00 0.00 O ATOM 514 CB MET A 34 8.683 10.422 6.933 1.00 0.00 C ATOM 515 CG MET A 34 10.170 10.295 6.606 1.00 0.00 C ATOM 516 SD MET A 34 11.195 9.987 8.058 1.00 0.00 S ATOM 517 CE MET A 34 12.830 10.047 7.320 1.00 0.00 C ATOM 0 H MET A 34 8.237 8.693 5.131 1.00 0.00 H new ATOM 0 HA MET A 34 6.756 10.899 6.103 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.553 11.245 7.636 1.00 0.00 H new ATOM 0 HB3 MET A 34 8.363 9.513 7.443 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.310 9.483 5.892 1.00 0.00 H new ATOM 0 HG3 MET A 34 10.507 11.210 6.119 1.00 0.00 H new ATOM 0 HE1 MET A 34 13.567 10.284 8.087 1.00 0.00 H new ATOM 0 HE2 MET A 34 13.065 9.079 6.877 1.00 0.00 H new ATOM 0 HE3 MET A 34 12.852 10.815 6.546 1.00 0.00 H new ATOM 527 N HIS A 35 9.102 11.535 3.961 1.00 0.00 N ATOM 528 CA HIS A 35 9.723 12.549 3.130 1.00 0.00 C ATOM 529 C HIS A 35 8.668 13.213 2.249 1.00 0.00 C ATOM 530 O HIS A 35 8.768 14.395 1.937 1.00 0.00 O ATOM 531 CB HIS A 35 10.805 11.916 2.252 1.00 0.00 C ATOM 532 CG HIS A 35 11.851 12.862 1.732 1.00 0.00 C ATOM 533 ND1 HIS A 35 11.590 14.049 1.077 1.00 0.00 N ATOM 534 CD2 HIS A 35 13.199 12.764 1.793 1.00 0.00 C ATOM 535 CE1 HIS A 35 12.759 14.613 0.766 1.00 0.00 C ATOM 536 NE2 HIS A 35 13.770 13.869 1.177 1.00 0.00 N ATOM 0 H HIS A 35 9.382 10.582 3.731 1.00 0.00 H new ATOM 0 HA HIS A 35 10.181 13.302 3.772 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.301 11.133 2.825 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.322 11.433 1.402 1.00 0.00 H new ATOM 0 HD1 HIS A 35 10.667 14.428 0.868 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.746 11.952 2.250 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.864 15.554 0.247 1.00 0.00 H new ATOM 544 N LEU A 36 7.674 12.447 1.849 1.00 0.00 N ATOM 545 CA LEU A 36 6.609 12.968 1.006 1.00 0.00 C ATOM 546 C LEU A 36 5.517 13.642 1.798 1.00 0.00 C ATOM 547 O LEU A 36 4.948 14.614 1.349 1.00 0.00 O ATOM 548 CB LEU A 36 6.014 11.874 0.125 1.00 0.00 C ATOM 549 CG LEU A 36 6.951 11.316 -0.946 1.00 0.00 C ATOM 550 CD1 LEU A 36 6.284 10.207 -1.710 1.00 0.00 C ATOM 551 CD2 LEU A 36 7.420 12.410 -1.898 1.00 0.00 C ATOM 0 H LEU A 36 7.578 11.461 2.092 1.00 0.00 H new ATOM 0 HA LEU A 36 7.069 13.725 0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.689 11.053 0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.124 12.269 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 36 7.828 10.912 -0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.968 9.824 -2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.015 9.403 -1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.384 10.588 -2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.085 11.980 -2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.557 12.857 -2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.954 13.177 -1.337 1.00 0.00 H new ATOM 563 N THR A 37 5.221 13.154 2.970 1.00 0.00 N ATOM 564 CA THR A 37 4.131 13.731 3.705 1.00 0.00 C ATOM 565 C THR A 37 4.505 15.021 4.414 1.00 0.00 C ATOM 566 O THR A 37 3.634 15.839 4.747 1.00 0.00 O ATOM 567 CB THR A 37 3.557 12.731 4.684 1.00 0.00 C ATOM 568 OG1 THR A 37 4.602 12.227 5.530 1.00 0.00 O ATOM 569 CG2 THR A 37 2.924 11.591 3.934 1.00 0.00 C ATOM 0 H THR A 37 5.703 12.380 3.427 1.00 0.00 H new ATOM 0 HA THR A 37 3.368 13.991 2.971 1.00 0.00 H new ATOM 0 HB THR A 37 2.802 13.224 5.296 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.376 11.320 5.824 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.512 10.873 4.643 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.125 11.973 3.298 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.676 11.100 3.316 1.00 0.00 H new ATOM 577 N SER A 38 5.771 15.217 4.635 1.00 0.00 N ATOM 578 CA SER A 38 6.217 16.404 5.284 1.00 0.00 C ATOM 579 C SER A 38 6.476 17.510 4.271 1.00 0.00 C ATOM 580 O SER A 38 6.720 17.244 3.094 1.00 0.00 O ATOM 581 CB SER A 38 7.459 16.118 6.126 1.00 0.00 C ATOM 582 OG SER A 38 8.489 15.533 5.341 1.00 0.00 O ATOM 0 H SER A 38 6.511 14.566 4.373 1.00 0.00 H new ATOM 0 HA SER A 38 5.429 16.749 5.954 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.820 17.045 6.572 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.199 15.449 6.946 1.00 0.00 H new ATOM 0 HG SER A 38 8.323 14.572 5.248 1.00 0.00 H new ATOM 588 N PHE A 39 6.389 18.728 4.707 1.00 0.00 N ATOM 589 CA PHE A 39 6.737 19.854 3.881 1.00 0.00 C ATOM 590 C PHE A 39 7.701 20.702 4.638 1.00 0.00 C ATOM 591 O PHE A 39 7.473 20.997 5.822 1.00 0.00 O ATOM 592 CB PHE A 39 5.516 20.675 3.471 1.00 0.00 C ATOM 593 CG PHE A 39 4.605 19.990 2.500 1.00 0.00 C ATOM 594 CD1 PHE A 39 4.915 19.963 1.150 1.00 0.00 C ATOM 595 CD2 PHE A 39 3.435 19.391 2.926 1.00 0.00 C ATOM 596 CE1 PHE A 39 4.079 19.351 0.245 1.00 0.00 C ATOM 597 CE2 PHE A 39 2.595 18.777 2.027 1.00 0.00 C ATOM 598 CZ PHE A 39 2.917 18.756 0.683 1.00 0.00 C ATOM 0 H PHE A 39 6.075 18.975 5.645 1.00 0.00 H new ATOM 0 HA PHE A 39 7.185 19.486 2.958 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.948 20.929 4.366 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.855 21.613 3.032 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.826 20.429 0.803 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.178 19.405 3.975 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.333 19.337 -0.805 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.683 18.311 2.371 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.258 18.273 -0.023 1.00 0.00 H new ATOM 865 N HIS A 55 15.111 11.648 -2.563 1.00 0.00 N ATOM 866 CA HIS A 55 14.209 10.698 -1.956 1.00 0.00 C ATOM 867 C HIS A 55 13.962 9.519 -2.857 1.00 0.00 C ATOM 868 O HIS A 55 13.622 8.454 -2.394 1.00 0.00 O ATOM 869 CB HIS A 55 12.896 11.332 -1.415 1.00 0.00 C ATOM 870 CG HIS A 55 12.099 12.183 -2.371 1.00 0.00 C ATOM 871 ND1 HIS A 55 11.264 13.203 -1.969 1.00 0.00 N ATOM 872 CD2 HIS A 55 11.998 12.135 -3.712 1.00 0.00 C ATOM 873 CE1 HIS A 55 10.692 13.722 -3.047 1.00 0.00 C ATOM 874 NE2 HIS A 55 11.099 13.109 -4.142 1.00 0.00 N ATOM 0 HA HIS A 55 14.717 10.325 -1.067 1.00 0.00 H new ATOM 0 HB2 HIS A 55 12.252 10.527 -1.062 1.00 0.00 H new ATOM 0 HB3 HIS A 55 13.148 11.943 -0.548 1.00 0.00 H new ATOM 0 HD1 HIS A 55 11.112 13.507 -1.007 1.00 0.00 H new ATOM 0 HD2 HIS A 55 12.530 11.449 -4.354 1.00 0.00 H new ATOM 0 HE1 HIS A 55 9.986 14.539 -3.031 1.00 0.00 H new ATOM 882 N LEU A 56 14.210 9.697 -4.140 1.00 0.00 N ATOM 883 CA LEU A 56 14.098 8.612 -5.072 1.00 0.00 C ATOM 884 C LEU A 56 15.277 7.722 -4.889 1.00 0.00 C ATOM 885 O LEU A 56 15.131 6.529 -4.701 1.00 0.00 O ATOM 886 CB LEU A 56 14.115 9.060 -6.516 1.00 0.00 C ATOM 887 CG LEU A 56 14.348 7.896 -7.473 1.00 0.00 C ATOM 888 CD1 LEU A 56 13.124 7.072 -7.727 1.00 0.00 C ATOM 889 CD2 LEU A 56 15.074 8.291 -8.705 1.00 0.00 C ATOM 0 H LEU A 56 14.490 10.587 -4.553 1.00 0.00 H new ATOM 0 HA LEU A 56 13.145 8.121 -4.875 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.168 9.543 -6.757 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.898 9.806 -6.655 1.00 0.00 H new ATOM 0 HG LEU A 56 15.025 7.221 -6.949 1.00 0.00 H new ATOM 0 HD11 LEU A 56 13.366 6.263 -8.416 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.766 6.652 -6.787 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.347 7.700 -8.163 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.208 7.418 -9.344 1.00 0.00 H new ATOM 0 HD22 LEU A 56 14.499 9.047 -9.240 1.00 0.00 H new ATOM 0 HD23 LEU A 56 16.049 8.698 -8.438 1.00 0.00 H new ATOM 901 N SER A 57 16.454 8.329 -4.933 1.00 0.00 N ATOM 902 CA SER A 57 17.709 7.632 -4.818 1.00 0.00 C ATOM 903 C SER A 57 17.758 6.803 -3.533 1.00 0.00 C ATOM 904 O SER A 57 18.410 5.777 -3.473 1.00 0.00 O ATOM 905 CB SER A 57 18.838 8.650 -4.862 1.00 0.00 C ATOM 906 OG SER A 57 18.689 9.493 -6.002 1.00 0.00 O ATOM 0 H SER A 57 16.556 9.337 -5.052 1.00 0.00 H new ATOM 0 HA SER A 57 17.819 6.936 -5.650 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.833 9.250 -3.952 1.00 0.00 H new ATOM 0 HB3 SER A 57 19.799 8.138 -4.901 1.00 0.00 H new ATOM 0 HG SER A 57 19.419 10.147 -6.023 1.00 0.00 H new ATOM 912 N LEU A 58 17.025 7.250 -2.541 1.00 0.00 N ATOM 913 CA LEU A 58 16.939 6.562 -1.274 1.00 0.00 C ATOM 914 C LEU A 58 15.813 5.515 -1.292 1.00 0.00 C ATOM 915 O LEU A 58 16.029 4.363 -0.970 1.00 0.00 O ATOM 916 CB LEU A 58 16.717 7.575 -0.154 1.00 0.00 C ATOM 917 CG LEU A 58 17.726 8.735 -0.125 1.00 0.00 C ATOM 918 CD1 LEU A 58 17.362 9.746 0.935 1.00 0.00 C ATOM 919 CD2 LEU A 58 19.147 8.228 0.085 1.00 0.00 C ATOM 0 H LEU A 58 16.469 8.104 -2.590 1.00 0.00 H new ATOM 0 HA LEU A 58 17.877 6.036 -1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 58 15.713 7.988 -0.250 1.00 0.00 H new ATOM 0 HB3 LEU A 58 16.757 7.053 0.802 1.00 0.00 H new ATOM 0 HG LEU A 58 17.684 9.228 -1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 58 18.093 10.555 0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 58 16.372 10.151 0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 58 17.358 9.263 1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 58 19.836 9.072 0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 58 19.206 7.694 1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 58 19.417 7.555 -0.728 1.00 0.00 H new ATOM 931 N CYS A 59 14.621 5.931 -1.691 1.00 0.00 N ATOM 932 CA CYS A 59 13.431 5.061 -1.703 1.00 0.00 C ATOM 933 C CYS A 59 13.546 3.941 -2.740 1.00 0.00 C ATOM 934 O CYS A 59 13.374 2.784 -2.410 1.00 0.00 O ATOM 935 CB CYS A 59 12.190 5.906 -1.954 1.00 0.00 C ATOM 936 SG CYS A 59 10.594 5.028 -1.999 1.00 0.00 S ATOM 0 H CYS A 59 14.440 6.880 -2.018 1.00 0.00 H new ATOM 0 HA CYS A 59 13.353 4.578 -0.729 1.00 0.00 H new ATOM 0 HB2 CYS A 59 12.136 6.669 -1.178 1.00 0.00 H new ATOM 0 HB3 CYS A 59 12.319 6.425 -2.904 1.00 0.00 H new ATOM 941 N CYS A 60 13.890 4.297 -3.980 1.00 0.00 N ATOM 942 CA CYS A 60 14.054 3.338 -5.081 1.00 0.00 C ATOM 943 C CYS A 60 15.109 2.344 -4.728 1.00 0.00 C ATOM 944 O CYS A 60 14.932 1.157 -4.893 1.00 0.00 O ATOM 945 CB CYS A 60 14.411 4.065 -6.401 1.00 0.00 C ATOM 946 SG CYS A 60 14.989 3.010 -7.797 1.00 0.00 S ATOM 0 H CYS A 60 14.064 5.264 -4.253 1.00 0.00 H new ATOM 0 HA CYS A 60 13.109 2.817 -5.234 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.532 4.618 -6.733 1.00 0.00 H new ATOM 0 HB3 CYS A 60 15.187 4.800 -6.186 1.00 0.00 H new ATOM 951 N ASN A 61 16.165 2.836 -4.138 1.00 0.00 N ATOM 952 CA ASN A 61 17.304 1.967 -3.781 1.00 0.00 C ATOM 953 C ASN A 61 16.951 1.061 -2.610 1.00 0.00 C ATOM 954 O ASN A 61 17.494 -0.029 -2.456 1.00 0.00 O ATOM 955 CB ASN A 61 18.503 2.799 -3.435 1.00 0.00 C ATOM 956 CG ASN A 61 19.819 2.019 -3.402 1.00 0.00 C ATOM 957 OD1 ASN A 61 20.502 1.902 -4.415 1.00 0.00 O ATOM 958 ND2 ASN A 61 20.189 1.502 -2.260 1.00 0.00 N ATOM 0 H ASN A 61 16.281 3.818 -3.888 1.00 0.00 H new ATOM 0 HA ASN A 61 17.536 1.343 -4.644 1.00 0.00 H new ATOM 0 HB2 ASN A 61 18.591 3.608 -4.160 1.00 0.00 H new ATOM 0 HB3 ASN A 61 18.342 3.260 -2.461 1.00 0.00 H new ATOM 0 HD21 ASN A 61 21.066 0.985 -2.194 1.00 0.00 H new ATOM 0 HD22 ASN A 61 19.601 1.615 -1.434 1.00 0.00 H new ATOM 965 N GLN A 62 16.036 1.520 -1.809 1.00 0.00 N ATOM 966 CA GLN A 62 15.575 0.799 -0.653 1.00 0.00 C ATOM 967 C GLN A 62 14.599 -0.295 -1.090 1.00 0.00 C ATOM 968 O GLN A 62 14.742 -1.462 -0.726 1.00 0.00 O ATOM 969 CB GLN A 62 14.876 1.792 0.282 1.00 0.00 C ATOM 970 CG GLN A 62 14.481 1.272 1.642 1.00 0.00 C ATOM 971 CD GLN A 62 15.586 1.337 2.693 1.00 0.00 C ATOM 972 OE1 GLN A 62 16.826 1.246 2.288 1.00 0.00 O flip ATOM 973 NE2 GLN A 62 15.304 1.484 3.884 1.00 0.00 N flip ATOM 0 H GLN A 62 15.579 2.422 -1.940 1.00 0.00 H new ATOM 0 HA GLN A 62 16.411 0.330 -0.135 1.00 0.00 H new ATOM 0 HB2 GLN A 62 15.534 2.650 0.423 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.979 2.157 -0.217 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.624 1.842 2.000 1.00 0.00 H new ATOM 0 HG3 GLN A 62 14.155 0.237 1.540 1.00 0.00 H new ATOM 0 HE21 GLN A 62 14.328 1.552 4.172 1.00 0.00 H new ATOM 0 HE22 GLN A 62 16.047 1.538 4.581 1.00 0.00 H new ATOM 982 N LEU A 63 13.646 0.087 -1.908 1.00 0.00 N ATOM 983 CA LEU A 63 12.602 -0.813 -2.369 1.00 0.00 C ATOM 984 C LEU A 63 13.183 -1.889 -3.279 1.00 0.00 C ATOM 985 O LEU A 63 12.711 -3.004 -3.314 1.00 0.00 O ATOM 986 CB LEU A 63 11.494 -0.003 -3.083 1.00 0.00 C ATOM 987 CG LEU A 63 11.845 0.629 -4.429 1.00 0.00 C ATOM 988 CD1 LEU A 63 11.647 -0.326 -5.572 1.00 0.00 C ATOM 989 CD2 LEU A 63 11.069 1.878 -4.639 1.00 0.00 C ATOM 0 H LEU A 63 13.568 1.035 -2.277 1.00 0.00 H new ATOM 0 HA LEU A 63 12.158 -1.319 -1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.638 -0.661 -3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.171 0.792 -2.411 1.00 0.00 H new ATOM 0 HG LEU A 63 12.906 0.879 -4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.909 0.167 -6.508 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.284 -1.199 -5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.604 -0.640 -5.607 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.333 2.313 -5.603 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.003 1.651 -4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.300 2.588 -3.845 1.00 0.00 H new ATOM 1001 N GLN A 64 14.228 -1.536 -4.006 1.00 0.00 N ATOM 1002 CA GLN A 64 14.862 -2.447 -4.942 1.00 0.00 C ATOM 1003 C GLN A 64 15.692 -3.514 -4.220 1.00 0.00 C ATOM 1004 O GLN A 64 16.231 -4.436 -4.853 1.00 0.00 O ATOM 1005 CB GLN A 64 15.724 -1.688 -5.939 1.00 0.00 C ATOM 1006 CG GLN A 64 16.988 -1.150 -5.345 1.00 0.00 C ATOM 1007 CD GLN A 64 17.844 -0.410 -6.343 1.00 0.00 C ATOM 1008 OE1 GLN A 64 17.345 0.200 -7.286 1.00 0.00 O ATOM 1009 NE2 GLN A 64 19.132 -0.461 -6.159 1.00 0.00 N ATOM 0 H GLN A 64 14.660 -0.613 -3.965 1.00 0.00 H new ATOM 0 HA GLN A 64 14.067 -2.956 -5.487 1.00 0.00 H new ATOM 0 HB2 GLN A 64 15.974 -2.349 -6.769 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.146 -0.862 -6.353 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.739 -0.480 -4.522 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.563 -1.974 -4.923 1.00 0.00 H new ATOM 0 HE21 GLN A 64 19.514 -0.976 -5.366 1.00 0.00 H new ATOM 0 HE22 GLN A 64 19.759 0.014 -6.808 1.00 0.00 H new ATOM 1018 N GLU A 65 15.832 -3.376 -2.904 1.00 0.00 N ATOM 1019 CA GLU A 65 16.494 -4.402 -2.118 1.00 0.00 C ATOM 1020 C GLU A 65 15.527 -5.561 -1.967 1.00 0.00 C ATOM 1021 O GLU A 65 15.920 -6.717 -1.747 1.00 0.00 O ATOM 1022 CB GLU A 65 16.894 -3.902 -0.730 1.00 0.00 C ATOM 1023 CG GLU A 65 17.851 -2.736 -0.735 1.00 0.00 C ATOM 1024 CD GLU A 65 18.311 -2.366 0.650 1.00 0.00 C ATOM 1025 OE1 GLU A 65 19.386 -2.847 1.073 1.00 0.00 O ATOM 1026 OE2 GLU A 65 17.642 -1.573 1.338 1.00 0.00 O ATOM 0 H GLU A 65 15.499 -2.574 -2.369 1.00 0.00 H new ATOM 0 HA GLU A 65 17.409 -4.699 -2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.993 -3.614 -0.188 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.348 -4.725 -0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.717 -2.983 -1.349 1.00 0.00 H new ATOM 0 HG3 GLU A 65 17.368 -1.875 -1.197 1.00 0.00 H new ATOM 1033 N VAL A 66 14.262 -5.218 -2.091 1.00 0.00 N ATOM 1034 CA VAL A 66 13.163 -6.155 -2.020 1.00 0.00 C ATOM 1035 C VAL A 66 13.024 -6.844 -3.394 1.00 0.00 C ATOM 1036 O VAL A 66 13.573 -6.357 -4.404 1.00 0.00 O ATOM 1037 CB VAL A 66 11.828 -5.400 -1.681 1.00 0.00 C ATOM 1038 CG1 VAL A 66 10.680 -6.341 -1.358 1.00 0.00 C ATOM 1039 CG2 VAL A 66 12.033 -4.415 -0.555 1.00 0.00 C ATOM 0 H VAL A 66 13.963 -4.255 -2.248 1.00 0.00 H new ATOM 0 HA VAL A 66 13.357 -6.891 -1.240 1.00 0.00 H new ATOM 0 HB VAL A 66 11.549 -4.856 -2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.786 -5.760 -1.132 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.487 -6.987 -2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.943 -6.953 -0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.093 -3.906 -0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 66 12.370 -4.945 0.336 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.785 -3.681 -0.846 1.00 0.00 H new ATOM 1049 N GLU A 67 12.334 -7.976 -3.415 1.00 0.00 N ATOM 1050 CA GLU A 67 12.043 -8.733 -4.631 1.00 0.00 C ATOM 1051 C GLU A 67 11.460 -7.862 -5.723 1.00 0.00 C ATOM 1052 O GLU A 67 10.628 -7.004 -5.454 1.00 0.00 O ATOM 1053 CB GLU A 67 11.111 -9.878 -4.303 1.00 0.00 C ATOM 1054 CG GLU A 67 11.789 -10.947 -3.506 1.00 0.00 C ATOM 1055 CD GLU A 67 10.893 -12.094 -3.165 1.00 0.00 C ATOM 1056 OE1 GLU A 67 10.890 -13.103 -3.897 1.00 0.00 O ATOM 1057 OE2 GLU A 67 10.199 -12.031 -2.141 1.00 0.00 O ATOM 0 H GLU A 67 11.952 -8.405 -2.572 1.00 0.00 H new ATOM 0 HA GLU A 67 12.984 -9.127 -5.015 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.255 -9.499 -3.745 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.725 -10.306 -5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.646 -11.320 -4.067 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.176 -10.512 -2.585 1.00 0.00 H new ATOM 1064 N LYS A 68 11.864 -8.124 -6.961 1.00 0.00 N ATOM 1065 CA LYS A 68 11.490 -7.292 -8.104 1.00 0.00 C ATOM 1066 C LYS A 68 9.994 -7.277 -8.349 1.00 0.00 C ATOM 1067 O LYS A 68 9.465 -6.320 -8.900 1.00 0.00 O ATOM 1068 CB LYS A 68 12.249 -7.688 -9.377 1.00 0.00 C ATOM 1069 CG LYS A 68 12.013 -9.099 -9.858 1.00 0.00 C ATOM 1070 CD LYS A 68 12.833 -9.415 -11.087 1.00 0.00 C ATOM 1071 CE LYS A 68 14.318 -9.533 -10.773 1.00 0.00 C ATOM 1072 NZ LYS A 68 15.101 -9.922 -11.965 1.00 0.00 N ATOM 0 H LYS A 68 12.459 -8.917 -7.203 1.00 0.00 H new ATOM 0 HA LYS A 68 11.784 -6.275 -7.843 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.971 -6.999 -10.175 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.316 -7.556 -9.199 1.00 0.00 H new ATOM 0 HG2 LYS A 68 12.264 -9.801 -9.063 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.955 -9.235 -10.082 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.481 -10.348 -11.526 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.682 -8.635 -11.833 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.686 -8.581 -10.391 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.465 -10.271 -9.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.107 -9.992 -11.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 14.767 -10.843 -12.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 14.980 -9.205 -12.709 1.00 0.00 H new ATOM 1086 N GLN A 69 9.315 -8.316 -7.910 1.00 0.00 N ATOM 1087 CA GLN A 69 7.858 -8.393 -8.054 1.00 0.00 C ATOM 1088 C GLN A 69 7.163 -7.616 -6.925 1.00 0.00 C ATOM 1089 O GLN A 69 5.991 -7.296 -7.002 1.00 0.00 O ATOM 1090 CB GLN A 69 7.373 -9.854 -8.035 1.00 0.00 C ATOM 1091 CG GLN A 69 7.629 -10.583 -6.716 1.00 0.00 C ATOM 1092 CD GLN A 69 7.061 -11.986 -6.682 1.00 0.00 C ATOM 1093 OE1 GLN A 69 6.962 -12.666 -7.710 1.00 0.00 O ATOM 1094 NE2 GLN A 69 6.660 -12.426 -5.519 1.00 0.00 N ATOM 0 H GLN A 69 9.738 -9.122 -7.450 1.00 0.00 H new ATOM 0 HA GLN A 69 7.600 -7.948 -9.015 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.304 -9.873 -8.246 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.866 -10.399 -8.840 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.703 -10.630 -6.538 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.196 -10.004 -5.900 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.756 -11.839 -4.691 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.251 -13.357 -5.439 1.00 0.00 H new ATOM 1103 N CYS A 70 7.911 -7.308 -5.903 1.00 0.00 N ATOM 1104 CA CYS A 70 7.392 -6.681 -4.716 1.00 0.00 C ATOM 1105 C CYS A 70 7.828 -5.224 -4.628 1.00 0.00 C ATOM 1106 O CYS A 70 7.342 -4.472 -3.794 1.00 0.00 O ATOM 1107 CB CYS A 70 7.879 -7.465 -3.505 1.00 0.00 C ATOM 1108 SG CYS A 70 7.406 -9.230 -3.540 1.00 0.00 S ATOM 0 H CYS A 70 8.914 -7.488 -5.869 1.00 0.00 H new ATOM 0 HA CYS A 70 6.302 -6.688 -4.748 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.965 -7.389 -3.446 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.478 -7.007 -2.601 1.00 0.00 H new ATOM 1113 N GLN A 71 8.733 -4.837 -5.506 1.00 0.00 N ATOM 1114 CA GLN A 71 9.248 -3.472 -5.573 1.00 0.00 C ATOM 1115 C GLN A 71 8.156 -2.441 -5.828 1.00 0.00 C ATOM 1116 O GLN A 71 8.139 -1.391 -5.202 1.00 0.00 O ATOM 1117 CB GLN A 71 10.358 -3.384 -6.610 1.00 0.00 C ATOM 1118 CG GLN A 71 11.636 -4.054 -6.147 1.00 0.00 C ATOM 1119 CD GLN A 71 12.758 -4.005 -7.154 1.00 0.00 C ATOM 1120 OE1 GLN A 71 12.850 -3.093 -7.973 1.00 0.00 O ATOM 1121 NE2 GLN A 71 13.654 -4.950 -7.061 1.00 0.00 N ATOM 0 H GLN A 71 9.139 -5.463 -6.202 1.00 0.00 H new ATOM 0 HA GLN A 71 9.662 -3.228 -4.595 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.023 -3.849 -7.537 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.561 -2.337 -6.833 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.969 -3.578 -5.225 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.421 -5.096 -5.909 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.544 -5.691 -6.369 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.464 -4.947 -7.681 1.00 0.00 H new ATOM 1130 N CYS A 72 7.218 -2.745 -6.699 1.00 0.00 N ATOM 1131 CA CYS A 72 6.155 -1.800 -6.960 1.00 0.00 C ATOM 1132 C CYS A 72 5.106 -1.911 -5.880 1.00 0.00 C ATOM 1133 O CYS A 72 4.389 -0.960 -5.590 1.00 0.00 O ATOM 1134 CB CYS A 72 5.512 -2.009 -8.317 1.00 0.00 C ATOM 1135 SG CYS A 72 4.393 -3.444 -8.439 1.00 0.00 S ATOM 0 H CYS A 72 7.169 -3.617 -7.227 1.00 0.00 H new ATOM 0 HA CYS A 72 6.597 -0.804 -6.961 1.00 0.00 H new ATOM 0 HB2 CYS A 72 4.953 -1.110 -8.578 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.301 -2.120 -9.061 1.00 0.00 H new ATOM 1140 N GLU A 73 5.051 -3.072 -5.259 1.00 0.00 N ATOM 1141 CA GLU A 73 4.110 -3.331 -4.202 1.00 0.00 C ATOM 1142 C GLU A 73 4.469 -2.483 -2.998 1.00 0.00 C ATOM 1143 O GLU A 73 3.590 -1.999 -2.277 1.00 0.00 O ATOM 1144 CB GLU A 73 4.123 -4.807 -3.834 1.00 0.00 C ATOM 1145 CG GLU A 73 3.728 -5.732 -4.967 1.00 0.00 C ATOM 1146 CD GLU A 73 2.277 -5.567 -5.384 1.00 0.00 C ATOM 1147 OE1 GLU A 73 1.441 -6.391 -4.984 1.00 0.00 O ATOM 1148 OE2 GLU A 73 1.954 -4.621 -6.137 1.00 0.00 O ATOM 0 H GLU A 73 5.661 -3.860 -5.478 1.00 0.00 H new ATOM 0 HA GLU A 73 3.106 -3.073 -4.539 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.122 -5.076 -3.492 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.445 -4.967 -2.996 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.372 -5.542 -5.826 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.899 -6.765 -4.663 1.00 0.00 H new ATOM 1155 N ALA A 74 5.775 -2.254 -2.825 1.00 0.00 N ATOM 1156 CA ALA A 74 6.290 -1.437 -1.767 1.00 0.00 C ATOM 1157 C ALA A 74 5.759 -0.029 -1.917 1.00 0.00 C ATOM 1158 O ALA A 74 5.407 0.619 -0.941 1.00 0.00 O ATOM 1159 CB ALA A 74 7.808 -1.441 -1.807 1.00 0.00 C ATOM 0 H ALA A 74 6.496 -2.643 -3.432 1.00 0.00 H new ATOM 0 HA ALA A 74 5.968 -1.836 -0.805 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.195 -0.818 -1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.173 -2.461 -1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.148 -1.047 -2.765 1.00 0.00 H new ATOM 1165 N ILE A 75 5.607 0.383 -3.171 1.00 0.00 N ATOM 1166 CA ILE A 75 5.143 1.713 -3.526 1.00 0.00 C ATOM 1167 C ILE A 75 3.723 1.909 -3.069 1.00 0.00 C ATOM 1168 O ILE A 75 3.355 2.978 -2.585 1.00 0.00 O ATOM 1169 CB ILE A 75 5.157 1.929 -5.054 1.00 0.00 C ATOM 1170 CG1 ILE A 75 6.523 1.615 -5.651 1.00 0.00 C ATOM 1171 CG2 ILE A 75 4.712 3.327 -5.406 1.00 0.00 C ATOM 1172 CD1 ILE A 75 7.669 2.298 -4.980 1.00 0.00 C ATOM 0 H ILE A 75 5.806 -0.208 -3.978 1.00 0.00 H new ATOM 0 HA ILE A 75 5.817 2.420 -3.042 1.00 0.00 H new ATOM 0 HB ILE A 75 4.444 1.231 -5.493 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.684 0.538 -5.608 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.517 1.895 -6.704 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.731 3.453 -6.489 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.698 3.489 -5.039 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.385 4.050 -4.945 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.600 2.015 -5.472 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.538 3.378 -5.045 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.707 2.000 -3.932 1.00 0.00 H new ATOM 1184 N LYS A 76 2.939 0.852 -3.173 1.00 0.00 N ATOM 1185 CA LYS A 76 1.535 0.918 -2.874 1.00 0.00 C ATOM 1186 C LYS A 76 1.409 1.194 -1.411 1.00 0.00 C ATOM 1187 O LYS A 76 0.686 2.116 -0.986 1.00 0.00 O ATOM 1188 CB LYS A 76 0.865 -0.415 -3.229 1.00 0.00 C ATOM 1189 CG LYS A 76 1.197 -0.914 -4.638 1.00 0.00 C ATOM 1190 CD LYS A 76 0.688 0.017 -5.735 1.00 0.00 C ATOM 1191 CE LYS A 76 -0.816 -0.081 -5.910 1.00 0.00 C ATOM 1192 NZ LYS A 76 -1.230 -1.448 -6.302 1.00 0.00 N ATOM 0 H LYS A 76 3.263 -0.069 -3.467 1.00 0.00 H new ATOM 0 HA LYS A 76 1.046 1.702 -3.453 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.171 -1.170 -2.504 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.215 -0.304 -3.137 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.277 -1.023 -4.734 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.763 -1.904 -4.779 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.959 1.045 -5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.179 -0.229 -6.676 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.310 0.197 -4.979 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.142 0.630 -6.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.160 -1.409 -6.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.531 -1.847 -6.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.290 -2.049 -5.455 1.00 0.00 H new ATOM 1206 N GLN A 77 2.243 0.481 -0.665 1.00 0.00 N ATOM 1207 CA GLN A 77 2.279 0.567 0.766 1.00 0.00 C ATOM 1208 C GLN A 77 2.672 1.964 1.174 1.00 0.00 C ATOM 1209 O GLN A 77 2.079 2.511 2.078 1.00 0.00 O ATOM 1210 CB GLN A 77 3.264 -0.426 1.380 1.00 0.00 C ATOM 1211 CG GLN A 77 3.210 -1.829 0.795 1.00 0.00 C ATOM 1212 CD GLN A 77 3.770 -2.884 1.744 1.00 0.00 C ATOM 1213 OE1 GLN A 77 3.349 -4.047 1.734 1.00 0.00 O ATOM 1214 NE2 GLN A 77 4.714 -2.496 2.566 1.00 0.00 N ATOM 0 H GLN A 77 2.917 -0.178 -1.054 1.00 0.00 H new ATOM 0 HA GLN A 77 1.283 0.322 1.134 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.274 -0.036 1.257 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.074 -0.488 2.452 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.177 -2.077 0.551 1.00 0.00 H new ATOM 0 HG3 GLN A 77 3.772 -1.851 -0.139 1.00 0.00 H new ATOM 0 HE21 GLN A 77 5.039 -1.529 2.549 1.00 0.00 H new ATOM 0 HE22 GLN A 77 5.123 -3.161 3.223 1.00 0.00 H new ATOM 1223 N VAL A 78 3.659 2.553 0.455 1.00 0.00 N ATOM 1224 CA VAL A 78 4.128 3.917 0.748 1.00 0.00 C ATOM 1225 C VAL A 78 2.967 4.873 0.721 1.00 0.00 C ATOM 1226 O VAL A 78 2.778 5.638 1.647 1.00 0.00 O ATOM 1227 CB VAL A 78 5.167 4.481 -0.273 1.00 0.00 C ATOM 1228 CG1 VAL A 78 5.699 5.816 0.201 1.00 0.00 C ATOM 1229 CG2 VAL A 78 6.299 3.539 -0.537 1.00 0.00 C ATOM 0 H VAL A 78 4.138 2.103 -0.325 1.00 0.00 H new ATOM 0 HA VAL A 78 4.605 3.839 1.725 1.00 0.00 H new ATOM 0 HB VAL A 78 4.638 4.611 -1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.422 6.197 -0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.875 6.523 0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.184 5.691 1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.986 3.988 -1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.828 3.335 0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.909 2.606 -0.944 1.00 0.00 H new ATOM 1239 N VAL A 79 2.143 4.768 -0.313 1.00 0.00 N ATOM 1240 CA VAL A 79 1.079 5.733 -0.508 1.00 0.00 C ATOM 1241 C VAL A 79 0.045 5.533 0.555 1.00 0.00 C ATOM 1242 O VAL A 79 -0.361 6.476 1.247 1.00 0.00 O ATOM 1243 CB VAL A 79 0.380 5.564 -1.873 1.00 0.00 C ATOM 1244 CG1 VAL A 79 -0.584 6.717 -2.127 1.00 0.00 C ATOM 1245 CG2 VAL A 79 1.386 5.419 -3.005 1.00 0.00 C ATOM 0 H VAL A 79 2.192 4.033 -1.019 1.00 0.00 H new ATOM 0 HA VAL A 79 1.527 6.726 -0.465 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.198 4.640 -1.842 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.068 6.581 -3.094 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.341 6.738 -1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.034 7.658 -2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.856 5.302 -3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.015 6.308 -3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.009 4.543 -2.828 1.00 0.00 H new ATOM 1255 N GLU A 80 -0.295 4.286 0.732 1.00 0.00 N ATOM 1256 CA GLU A 80 -1.337 3.867 1.608 1.00 0.00 C ATOM 1257 C GLU A 80 -0.996 4.188 3.068 1.00 0.00 C ATOM 1258 O GLU A 80 -1.876 4.545 3.838 1.00 0.00 O ATOM 1259 CB GLU A 80 -1.574 2.383 1.395 1.00 0.00 C ATOM 1260 CG GLU A 80 -2.831 1.837 2.017 1.00 0.00 C ATOM 1261 CD GLU A 80 -2.975 0.377 1.728 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -3.489 0.006 0.648 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -2.555 -0.440 2.558 1.00 0.00 O ATOM 0 H GLU A 80 0.165 3.513 0.251 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.254 4.412 1.382 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.604 2.187 0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.722 1.834 1.796 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.809 1.999 3.095 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.697 2.376 1.632 1.00 0.00 H new ATOM 1270 N GLN A 81 0.280 4.089 3.434 1.00 0.00 N ATOM 1271 CA GLN A 81 0.695 4.404 4.791 1.00 0.00 C ATOM 1272 C GLN A 81 0.967 5.905 4.965 1.00 0.00 C ATOM 1273 O GLN A 81 0.846 6.449 6.066 1.00 0.00 O ATOM 1274 CB GLN A 81 1.908 3.575 5.244 1.00 0.00 C ATOM 1275 CG GLN A 81 3.214 3.876 4.509 1.00 0.00 C ATOM 1276 CD GLN A 81 4.373 3.007 4.964 1.00 0.00 C ATOM 1277 OE1 GLN A 81 4.095 1.798 5.354 1.00 0.00 O flip ATOM 1278 NE2 GLN A 81 5.524 3.423 4.939 1.00 0.00 N flip ATOM 0 H GLN A 81 1.035 3.796 2.814 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.140 4.132 5.436 1.00 0.00 H new ATOM 0 HB2 GLN A 81 2.063 3.741 6.310 1.00 0.00 H new ATOM 0 HB3 GLN A 81 1.673 2.518 5.117 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.061 3.735 3.439 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.474 4.924 4.659 1.00 0.00 H new ATOM 0 HE21 GLN A 81 5.715 4.376 4.629 1.00 0.00 H new ATOM 0 HE22 GLN A 81 6.292 2.817 5.228 1.00 0.00 H new ATOM 1287 N ALA A 82 1.320 6.573 3.892 1.00 0.00 N ATOM 1288 CA ALA A 82 1.585 8.001 3.940 1.00 0.00 C ATOM 1289 C ALA A 82 0.289 8.769 4.109 1.00 0.00 C ATOM 1290 O ALA A 82 0.186 9.664 4.944 1.00 0.00 O ATOM 1291 CB ALA A 82 2.323 8.450 2.692 1.00 0.00 C ATOM 0 H ALA A 82 1.432 6.153 2.969 1.00 0.00 H new ATOM 0 HA ALA A 82 2.222 8.209 4.800 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.512 9.522 2.747 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.271 7.918 2.619 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.716 8.233 1.813 1.00 0.00 H new ATOM 1297 N GLN A 83 -0.711 8.384 3.349 1.00 0.00 N ATOM 1298 CA GLN A 83 -2.017 9.015 3.447 1.00 0.00 C ATOM 1299 C GLN A 83 -2.657 8.644 4.783 1.00 0.00 C ATOM 1300 O GLN A 83 -3.374 9.425 5.377 1.00 0.00 O ATOM 1301 CB GLN A 83 -2.915 8.615 2.263 1.00 0.00 C ATOM 1302 CG GLN A 83 -3.285 7.141 2.209 1.00 0.00 C ATOM 1303 CD GLN A 83 -4.093 6.802 0.979 1.00 0.00 C ATOM 1304 OE1 GLN A 83 -3.953 7.439 -0.064 1.00 0.00 O ATOM 1305 NE2 GLN A 83 -4.930 5.808 1.081 1.00 0.00 N ATOM 0 H GLN A 83 -0.650 7.638 2.656 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.897 10.097 3.403 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -3.832 9.203 2.306 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.408 8.882 1.335 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.376 6.539 2.222 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -3.855 6.878 3.100 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.018 5.304 1.963 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -5.497 5.534 0.279 1.00 0.00 H new ATOM 1314 N LYS A 84 -2.302 7.466 5.269 1.00 0.00 N ATOM 1315 CA LYS A 84 -2.762 6.932 6.511 1.00 0.00 C ATOM 1316 C LYS A 84 -2.281 7.754 7.670 1.00 0.00 C ATOM 1317 O LYS A 84 -3.048 8.099 8.555 1.00 0.00 O ATOM 1318 CB LYS A 84 -2.213 5.555 6.614 1.00 0.00 C ATOM 1319 CG LYS A 84 -2.055 5.033 7.995 1.00 0.00 C ATOM 1320 CD LYS A 84 -0.752 4.381 8.053 1.00 0.00 C ATOM 1321 CE LYS A 84 -0.424 3.941 9.432 1.00 0.00 C ATOM 1322 NZ LYS A 84 0.912 3.316 9.512 1.00 0.00 N ATOM 0 H LYS A 84 -1.660 6.842 4.779 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.852 6.937 6.541 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.866 4.880 6.061 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.241 5.532 6.122 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.115 5.842 8.723 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.851 4.328 8.235 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.745 3.520 7.384 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.016 5.068 7.697 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.464 4.798 10.105 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.177 3.231 9.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.100 3.024 10.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.943 2.483 8.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.634 4.001 9.210 1.00 0.00 H new ATOM 1336 N GLN A 85 -1.008 8.090 7.652 1.00 0.00 N ATOM 1337 CA GLN A 85 -0.414 8.785 8.757 1.00 0.00 C ATOM 1338 C GLN A 85 -0.953 10.209 8.854 1.00 0.00 C ATOM 1339 O GLN A 85 -0.958 10.820 9.922 1.00 0.00 O ATOM 1340 CB GLN A 85 1.100 8.737 8.669 1.00 0.00 C ATOM 1341 CG GLN A 85 1.731 9.683 7.671 1.00 0.00 C ATOM 1342 CD GLN A 85 3.240 9.594 7.615 1.00 0.00 C ATOM 1343 OE1 GLN A 85 3.839 9.853 6.584 1.00 0.00 O ATOM 1344 NE2 GLN A 85 3.863 9.227 8.703 1.00 0.00 N ATOM 0 H GLN A 85 -0.371 7.890 6.881 1.00 0.00 H new ATOM 0 HA GLN A 85 -0.693 8.280 9.682 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.510 8.953 9.656 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.399 7.720 8.416 1.00 0.00 H new ATOM 0 HG2 GLN A 85 1.327 9.474 6.680 1.00 0.00 H new ATOM 0 HG3 GLN A 85 1.446 10.705 7.922 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.332 9.018 9.549 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.880 9.150 8.707 1.00 0.00 H new ATOM 1353 N LEU A 86 -1.435 10.707 7.742 1.00 0.00 N ATOM 1354 CA LEU A 86 -2.069 12.014 7.714 1.00 0.00 C ATOM 1355 C LEU A 86 -3.543 11.910 8.071 1.00 0.00 C ATOM 1356 O LEU A 86 -4.086 12.770 8.766 1.00 0.00 O ATOM 1357 CB LEU A 86 -1.829 12.745 6.373 1.00 0.00 C ATOM 1358 CG LEU A 86 -0.567 13.613 6.295 1.00 0.00 C ATOM 1359 CD1 LEU A 86 -0.672 14.769 7.259 1.00 0.00 C ATOM 1360 CD2 LEU A 86 0.671 12.826 6.604 1.00 0.00 C ATOM 0 H LEU A 86 -1.403 10.231 6.840 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.598 12.631 8.479 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.782 11.999 5.579 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.693 13.376 6.167 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.491 13.984 5.273 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.229 15.379 7.195 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.540 15.377 7.005 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.781 14.387 8.274 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.542 13.478 6.538 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.600 12.417 7.612 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.772 12.011 5.887 1.00 0.00 H new ATOM 1372 N GLN A 87 -4.166 10.829 7.638 1.00 0.00 N ATOM 1373 CA GLN A 87 -5.564 10.539 7.931 1.00 0.00 C ATOM 1374 C GLN A 87 -5.772 10.306 9.423 1.00 0.00 C ATOM 1375 O GLN A 87 -6.771 10.741 9.996 1.00 0.00 O ATOM 1376 CB GLN A 87 -6.013 9.303 7.151 1.00 0.00 C ATOM 1377 CG GLN A 87 -7.461 8.920 7.362 1.00 0.00 C ATOM 1378 CD GLN A 87 -7.848 7.704 6.566 1.00 0.00 C ATOM 1379 OE1 GLN A 87 -7.728 6.577 7.035 1.00 0.00 O ATOM 1380 NE2 GLN A 87 -8.311 7.912 5.371 1.00 0.00 N ATOM 0 H GLN A 87 -3.712 10.117 7.066 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.161 11.399 7.629 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.848 9.480 6.088 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.382 8.461 7.435 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.634 8.729 8.421 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.101 9.756 7.080 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -8.396 8.864 5.016 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.590 7.123 4.788 1.00 0.00 H new ATOM 1389 N GLN A 88 -4.802 9.655 10.061 1.00 0.00 N ATOM 1390 CA GLN A 88 -4.916 9.340 11.488 1.00 0.00 C ATOM 1391 C GLN A 88 -4.525 10.529 12.341 1.00 0.00 C ATOM 1392 O GLN A 88 -4.525 10.470 13.578 1.00 0.00 O ATOM 1393 CB GLN A 88 -4.112 8.096 11.883 1.00 0.00 C ATOM 1394 CG GLN A 88 -2.591 8.220 11.817 1.00 0.00 C ATOM 1395 CD GLN A 88 -1.882 6.941 12.271 1.00 0.00 C ATOM 1396 OE1 GLN A 88 -0.691 6.701 11.776 1.00 0.00 O flip ATOM 1397 NE2 GLN A 88 -2.402 6.183 13.094 1.00 0.00 N flip ATOM 0 H GLN A 88 -3.938 9.338 9.622 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.965 9.110 11.674 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -4.388 7.820 12.901 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.416 7.273 11.236 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.292 8.455 10.795 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.269 9.052 12.443 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.329 6.391 13.464 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.905 5.348 13.404 1.00 0.00 H new ATOM 1406 N GLY A 89 -4.179 11.585 11.676 1.00 0.00 N ATOM 1407 CA GLY A 89 -3.882 12.818 12.324 1.00 0.00 C ATOM 1408 C GLY A 89 -5.105 13.691 12.298 1.00 0.00 C ATOM 1409 O GLY A 89 -6.172 13.294 12.785 1.00 0.00 O ATOM 0 H GLY A 89 -4.095 11.614 10.660 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.570 12.637 13.353 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.053 13.317 11.823 1.00 0.00 H new ATOM 1413 N GLN A 90 -4.994 14.833 11.698 1.00 0.00 N ATOM 1414 CA GLN A 90 -6.113 15.736 11.592 1.00 0.00 C ATOM 1415 C GLN A 90 -6.490 15.928 10.127 1.00 0.00 C ATOM 1416 O GLN A 90 -7.614 15.648 9.719 1.00 0.00 O ATOM 1417 CB GLN A 90 -5.792 17.085 12.238 1.00 0.00 C ATOM 1418 CG GLN A 90 -5.380 17.007 13.703 1.00 0.00 C ATOM 1419 CD GLN A 90 -6.407 16.321 14.600 1.00 0.00 C ATOM 1420 OE1 GLN A 90 -7.612 16.353 14.350 1.00 0.00 O ATOM 1421 NE2 GLN A 90 -5.933 15.716 15.661 1.00 0.00 N ATOM 0 H GLN A 90 -4.134 15.172 11.267 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.958 15.300 12.124 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -4.990 17.561 11.674 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.667 17.730 12.154 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.434 16.471 13.776 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.204 18.016 14.075 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -4.928 15.709 15.838 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -6.568 15.252 16.310 1.00 0.00 H new ATOM 1430 N GLY A 91 -5.542 16.357 9.336 1.00 0.00 N ATOM 1431 CA GLY A 91 -5.793 16.612 7.938 1.00 0.00 C ATOM 1432 C GLY A 91 -4.523 16.510 7.159 1.00 0.00 C ATOM 1433 O GLY A 91 -3.713 15.633 7.432 1.00 0.00 O ATOM 0 H GLY A 91 -4.584 16.538 9.636 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.521 15.897 7.555 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.226 17.605 7.814 1.00 0.00 H new ATOM 1437 N GLY A 92 -4.339 17.378 6.189 1.00 0.00 N ATOM 1438 CA GLY A 92 -3.125 17.391 5.436 1.00 0.00 C ATOM 1439 C GLY A 92 -3.210 16.612 4.174 1.00 0.00 C ATOM 1440 O GLY A 92 -2.590 16.984 3.214 1.00 0.00 O ATOM 0 H GLY A 92 -5.022 18.082 5.910 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.862 18.422 5.202 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.320 16.988 6.050 1.00 0.00 H new ATOM 1444 N GLN A 93 -4.022 15.574 4.159 1.00 0.00 N ATOM 1445 CA GLN A 93 -4.142 14.652 3.017 1.00 0.00 C ATOM 1446 C GLN A 93 -4.339 15.384 1.677 1.00 0.00 C ATOM 1447 O GLN A 93 -3.813 14.961 0.652 1.00 0.00 O ATOM 1448 CB GLN A 93 -5.292 13.671 3.231 1.00 0.00 C ATOM 1449 CG GLN A 93 -5.195 12.833 4.492 1.00 0.00 C ATOM 1450 CD GLN A 93 -6.304 11.806 4.570 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -6.155 10.691 4.101 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -7.413 12.164 5.153 1.00 0.00 N ATOM 0 H GLN A 93 -4.630 15.333 4.942 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.198 14.110 2.964 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.227 14.231 3.256 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.344 13.002 2.372 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.229 12.328 4.520 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -5.240 13.484 5.365 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.507 13.105 5.536 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.187 11.504 5.226 1.00 0.00 H new ATOM 1461 N GLN A 94 -5.045 16.499 1.705 1.00 0.00 N ATOM 1462 CA GLN A 94 -5.322 17.257 0.488 1.00 0.00 C ATOM 1463 C GLN A 94 -4.123 18.105 0.052 1.00 0.00 C ATOM 1464 O GLN A 94 -3.909 18.323 -1.140 1.00 0.00 O ATOM 1465 CB GLN A 94 -6.538 18.152 0.660 1.00 0.00 C ATOM 1466 CG GLN A 94 -6.388 19.165 1.768 1.00 0.00 C ATOM 1467 CD GLN A 94 -7.515 20.166 1.809 1.00 0.00 C ATOM 1468 OE1 GLN A 94 -8.097 20.514 0.770 1.00 0.00 O ATOM 1469 NE2 GLN A 94 -7.846 20.630 2.983 1.00 0.00 N ATOM 0 H GLN A 94 -5.439 16.904 2.554 1.00 0.00 H new ATOM 0 HA GLN A 94 -5.525 16.523 -0.292 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.729 18.676 -0.277 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.411 17.531 0.862 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.337 18.644 2.724 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.444 19.695 1.643 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.343 20.319 3.814 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.607 21.303 3.069 1.00 0.00 H new ATOM 1478 N GLN A 95 -3.357 18.599 1.007 1.00 0.00 N ATOM 1479 CA GLN A 95 -2.198 19.419 0.687 1.00 0.00 C ATOM 1480 C GLN A 95 -1.002 18.542 0.416 1.00 0.00 C ATOM 1481 O GLN A 95 -0.213 18.790 -0.476 1.00 0.00 O ATOM 1482 CB GLN A 95 -1.905 20.458 1.767 1.00 0.00 C ATOM 1483 CG GLN A 95 -1.547 19.920 3.122 1.00 0.00 C ATOM 1484 CD GLN A 95 -1.319 21.021 4.130 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -1.600 20.748 5.368 1.00 0.00 O flip ATOM 1486 NE2 GLN A 95 -0.893 22.121 3.785 1.00 0.00 N flip ATOM 0 H GLN A 95 -3.513 18.450 2.004 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.427 19.982 -0.218 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.087 21.090 1.422 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.780 21.099 1.873 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.345 19.267 3.474 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.647 19.310 3.043 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.682 22.301 2.803 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.750 22.853 4.480 1.00 0.00 H new ATOM 1495 N VAL A 96 -0.906 17.509 1.201 1.00 0.00 N ATOM 1496 CA VAL A 96 0.095 16.460 1.064 1.00 0.00 C ATOM 1497 C VAL A 96 -0.088 15.714 -0.260 1.00 0.00 C ATOM 1498 O VAL A 96 0.865 15.126 -0.773 1.00 0.00 O ATOM 1499 CB VAL A 96 0.025 15.468 2.273 1.00 0.00 C ATOM 1500 CG1 VAL A 96 0.965 14.293 2.108 1.00 0.00 C ATOM 1501 CG2 VAL A 96 0.337 16.194 3.573 1.00 0.00 C ATOM 0 H VAL A 96 -1.539 17.357 1.986 1.00 0.00 H new ATOM 0 HA VAL A 96 1.081 16.924 1.062 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.992 15.077 2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.879 13.634 2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.704 13.742 1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.990 14.655 2.028 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.284 15.491 4.404 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.339 16.619 3.521 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.389 16.993 3.727 1.00 0.00 H new ATOM 1511 N GLN A 97 -1.313 15.773 -0.820 1.00 0.00 N ATOM 1512 CA GLN A 97 -1.647 15.086 -2.086 1.00 0.00 C ATOM 1513 C GLN A 97 -0.580 15.305 -3.159 1.00 0.00 C ATOM 1514 O GLN A 97 -0.105 14.346 -3.740 1.00 0.00 O ATOM 1515 CB GLN A 97 -3.009 15.522 -2.636 1.00 0.00 C ATOM 1516 CG GLN A 97 -3.392 14.792 -3.926 1.00 0.00 C ATOM 1517 CD GLN A 97 -4.705 15.248 -4.525 1.00 0.00 C ATOM 1518 OE1 GLN A 97 -5.624 15.677 -3.818 1.00 0.00 O ATOM 1519 NE2 GLN A 97 -4.823 15.131 -5.819 1.00 0.00 N ATOM 0 H GLN A 97 -2.092 16.292 -0.414 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.688 14.024 -1.843 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.775 15.342 -1.881 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.993 16.596 -2.823 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -2.600 14.935 -4.661 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.449 13.723 -3.723 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -4.044 14.773 -6.372 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -5.694 15.397 -6.278 1.00 0.00 H new ATOM 1528 N GLN A 98 -0.156 16.563 -3.343 1.00 0.00 N ATOM 1529 CA GLN A 98 0.842 16.931 -4.369 1.00 0.00 C ATOM 1530 C GLN A 98 2.174 16.198 -4.165 1.00 0.00 C ATOM 1531 O GLN A 98 2.961 16.044 -5.091 1.00 0.00 O ATOM 1532 CB GLN A 98 1.124 18.441 -4.348 1.00 0.00 C ATOM 1533 CG GLN A 98 1.802 18.909 -3.071 1.00 0.00 C ATOM 1534 CD GLN A 98 2.186 20.370 -3.085 1.00 0.00 C ATOM 1535 OE1 GLN A 98 1.414 21.236 -2.670 1.00 0.00 O ATOM 1536 NE2 GLN A 98 3.367 20.663 -3.574 1.00 0.00 N ATOM 0 H GLN A 98 -0.490 17.353 -2.791 1.00 0.00 H new ATOM 0 HA GLN A 98 0.413 16.639 -5.327 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.753 18.698 -5.200 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.185 18.981 -4.471 1.00 0.00 H new ATOM 0 HG2 GLN A 98 1.135 18.726 -2.229 1.00 0.00 H new ATOM 0 HG3 GLN A 98 2.697 18.309 -2.905 1.00 0.00 H new ATOM 0 HE21 GLN A 98 3.979 19.919 -3.908 1.00 0.00 H new ATOM 0 HE22 GLN A 98 3.673 21.635 -3.620 1.00 0.00 H new ATOM 1545 N MET A 99 2.412 15.738 -2.971 1.00 0.00 N ATOM 1546 CA MET A 99 3.678 15.167 -2.660 1.00 0.00 C ATOM 1547 C MET A 99 3.587 13.671 -2.605 1.00 0.00 C ATOM 1548 O MET A 99 4.413 12.979 -3.168 1.00 0.00 O ATOM 1549 CB MET A 99 4.172 15.717 -1.355 1.00 0.00 C ATOM 1550 CG MET A 99 5.629 16.098 -1.360 1.00 0.00 C ATOM 1551 SD MET A 99 5.997 17.359 -2.603 1.00 0.00 S ATOM 1552 CE MET A 99 7.747 17.601 -2.332 1.00 0.00 C ATOM 0 H MET A 99 1.743 15.750 -2.201 1.00 0.00 H new ATOM 0 HA MET A 99 4.387 15.429 -3.446 1.00 0.00 H new ATOM 0 HB2 MET A 99 3.579 16.594 -1.095 1.00 0.00 H new ATOM 0 HB3 MET A 99 4.004 14.976 -0.574 1.00 0.00 H new ATOM 0 HG2 MET A 99 5.910 16.468 -0.374 1.00 0.00 H new ATOM 0 HG3 MET A 99 6.234 15.212 -1.552 1.00 0.00 H new ATOM 0 HE1 MET A 99 8.122 18.353 -3.026 1.00 0.00 H new ATOM 0 HE2 MET A 99 7.914 17.937 -1.308 1.00 0.00 H new ATOM 0 HE3 MET A 99 8.274 16.661 -2.496 1.00 0.00 H new ATOM 1562 N VAL A 100 2.571 13.171 -1.957 1.00 0.00 N ATOM 1563 CA VAL A 100 2.376 11.734 -1.857 1.00 0.00 C ATOM 1564 C VAL A 100 2.042 11.129 -3.239 1.00 0.00 C ATOM 1565 O VAL A 100 2.314 9.961 -3.502 1.00 0.00 O ATOM 1566 CB VAL A 100 1.315 11.358 -0.776 1.00 0.00 C ATOM 1567 CG1 VAL A 100 -0.011 12.001 -1.065 1.00 0.00 C ATOM 1568 CG2 VAL A 100 1.166 9.855 -0.642 1.00 0.00 C ATOM 0 H VAL A 100 1.860 13.730 -1.487 1.00 0.00 H new ATOM 0 HA VAL A 100 3.316 11.295 -1.523 1.00 0.00 H new ATOM 0 HB VAL A 100 1.676 11.744 0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.728 11.719 -0.294 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.105 13.085 -1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.374 11.666 -2.037 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.419 9.630 0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.849 9.434 -1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.122 9.419 -0.353 1.00 0.00 H new ATOM 1578 N LYS A 101 1.507 11.949 -4.144 1.00 0.00 N ATOM 1579 CA LYS A 101 1.220 11.497 -5.501 1.00 0.00 C ATOM 1580 C LYS A 101 2.505 11.166 -6.250 1.00 0.00 C ATOM 1581 O LYS A 101 2.500 10.386 -7.198 1.00 0.00 O ATOM 1582 CB LYS A 101 0.347 12.516 -6.262 1.00 0.00 C ATOM 1583 CG LYS A 101 0.967 13.881 -6.583 1.00 0.00 C ATOM 1584 CD LYS A 101 1.817 13.891 -7.850 1.00 0.00 C ATOM 1585 CE LYS A 101 2.381 15.277 -8.091 1.00 0.00 C ATOM 1586 NZ LYS A 101 3.156 15.370 -9.340 1.00 0.00 N ATOM 0 H LYS A 101 1.266 12.923 -3.962 1.00 0.00 H new ATOM 0 HA LYS A 101 0.640 10.576 -5.434 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.038 12.058 -7.202 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.557 12.687 -5.678 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.169 14.616 -6.687 1.00 0.00 H new ATOM 0 HG3 LYS A 101 1.583 14.196 -5.741 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.630 13.171 -7.757 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.214 13.582 -8.704 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.563 15.997 -8.122 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.019 15.556 -7.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.922 16.064 -9.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.563 14.440 -9.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.531 15.672 -10.115 1.00 0.00 H new ATOM 1600 N LYS A 102 3.613 11.749 -5.795 1.00 0.00 N ATOM 1601 CA LYS A 102 4.913 11.490 -6.359 1.00 0.00 C ATOM 1602 C LYS A 102 5.324 10.051 -6.101 1.00 0.00 C ATOM 1603 O LYS A 102 6.042 9.465 -6.893 1.00 0.00 O ATOM 1604 CB LYS A 102 5.915 12.443 -5.767 1.00 0.00 C ATOM 1605 CG LYS A 102 5.664 13.900 -6.140 1.00 0.00 C ATOM 1606 CD LYS A 102 6.479 14.844 -5.278 1.00 0.00 C ATOM 1607 CE LYS A 102 7.954 14.508 -5.281 1.00 0.00 C ATOM 1608 NZ LYS A 102 8.579 14.645 -6.617 1.00 0.00 N ATOM 0 H LYS A 102 3.622 12.414 -5.022 1.00 0.00 H new ATOM 0 HA LYS A 102 4.874 11.642 -7.438 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.899 12.346 -4.681 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.914 12.159 -6.097 1.00 0.00 H new ATOM 0 HG2 LYS A 102 5.915 14.056 -7.189 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.604 14.128 -6.028 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.342 15.865 -5.634 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.105 14.810 -4.255 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.470 15.160 -4.576 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.088 13.486 -4.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.588 14.402 -6.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.109 14.004 -7.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.479 15.626 -6.948 1.00 0.00 H new ATOM 1622 N ALA A 103 4.818 9.475 -5.005 1.00 0.00 N ATOM 1623 CA ALA A 103 5.070 8.071 -4.676 1.00 0.00 C ATOM 1624 C ALA A 103 4.487 7.188 -5.752 1.00 0.00 C ATOM 1625 O ALA A 103 5.071 6.211 -6.135 1.00 0.00 O ATOM 1626 CB ALA A 103 4.469 7.700 -3.329 1.00 0.00 C ATOM 0 H ALA A 103 4.230 9.963 -4.330 1.00 0.00 H new ATOM 0 HA ALA A 103 6.148 7.924 -4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.674 6.651 -3.115 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.910 8.322 -2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.391 7.861 -3.355 1.00 0.00 H new ATOM 1632 N GLN A 104 3.357 7.608 -6.299 1.00 0.00 N ATOM 1633 CA GLN A 104 2.666 6.859 -7.346 1.00 0.00 C ATOM 1634 C GLN A 104 3.500 6.870 -8.640 1.00 0.00 C ATOM 1635 O GLN A 104 3.322 6.045 -9.522 1.00 0.00 O ATOM 1636 CB GLN A 104 1.293 7.487 -7.613 1.00 0.00 C ATOM 1637 CG GLN A 104 0.388 7.589 -6.384 1.00 0.00 C ATOM 1638 CD GLN A 104 -0.963 8.213 -6.707 1.00 0.00 C ATOM 1639 OE1 GLN A 104 -1.471 8.086 -7.819 1.00 0.00 O ATOM 1640 NE2 GLN A 104 -1.556 8.882 -5.752 1.00 0.00 N ATOM 0 H GLN A 104 2.891 8.475 -6.033 1.00 0.00 H new ATOM 0 HA GLN A 104 2.534 5.829 -7.016 1.00 0.00 H new ATOM 0 HB2 GLN A 104 1.439 8.486 -8.024 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.782 6.900 -8.376 1.00 0.00 H new ATOM 0 HG2 GLN A 104 0.235 6.594 -5.966 1.00 0.00 H new ATOM 0 HG3 GLN A 104 0.886 8.184 -5.618 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -1.110 8.971 -4.839 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -2.464 9.315 -5.921 1.00 0.00 H new ATOM 1649 N MET A 105 4.417 7.814 -8.713 1.00 0.00 N ATOM 1650 CA MET A 105 5.276 8.005 -9.872 1.00 0.00 C ATOM 1651 C MET A 105 6.580 7.235 -9.697 1.00 0.00 C ATOM 1652 O MET A 105 7.346 7.068 -10.645 1.00 0.00 O ATOM 1653 CB MET A 105 5.569 9.480 -10.076 1.00 0.00 C ATOM 1654 CG MET A 105 4.334 10.353 -9.898 1.00 0.00 C ATOM 1655 SD MET A 105 4.614 12.111 -10.206 1.00 0.00 S ATOM 1656 CE MET A 105 4.888 12.083 -11.976 1.00 0.00 C ATOM 0 H MET A 105 4.591 8.480 -7.961 1.00 0.00 H new ATOM 0 HA MET A 105 4.757 7.625 -10.752 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.337 9.795 -9.369 1.00 0.00 H new ATOM 0 HB3 MET A 105 5.975 9.631 -11.076 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.553 9.998 -10.571 1.00 0.00 H new ATOM 0 HG3 MET A 105 3.960 10.229 -8.882 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.812 13.096 -12.372 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.881 11.685 -12.184 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.137 11.451 -12.450 1.00 0.00 H new ATOM 1666 N LEU A 106 6.836 6.790 -8.464 1.00 0.00 N ATOM 1667 CA LEU A 106 8.040 6.013 -8.111 1.00 0.00 C ATOM 1668 C LEU A 106 8.269 4.808 -9.034 1.00 0.00 C ATOM 1669 O LEU A 106 9.398 4.596 -9.464 1.00 0.00 O ATOM 1670 CB LEU A 106 8.032 5.578 -6.629 1.00 0.00 C ATOM 1671 CG LEU A 106 8.887 6.397 -5.633 1.00 0.00 C ATOM 1672 CD1 LEU A 106 10.351 6.048 -5.799 1.00 0.00 C ATOM 1673 CD2 LEU A 106 8.704 7.897 -5.833 1.00 0.00 C ATOM 0 H LEU A 106 6.213 6.957 -7.673 1.00 0.00 H new ATOM 0 HA LEU A 106 8.882 6.690 -8.260 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.000 5.598 -6.280 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.365 4.541 -6.582 1.00 0.00 H new ATOM 0 HG LEU A 106 8.553 6.142 -4.627 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.946 6.629 -5.094 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.496 4.985 -5.606 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.667 6.278 -6.816 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.321 8.438 -5.115 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.003 8.168 -6.845 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.657 8.159 -5.682 1.00 0.00 H new ATOM 1685 N PRO A 107 7.226 3.988 -9.370 1.00 0.00 N ATOM 1686 CA PRO A 107 7.397 2.894 -10.304 1.00 0.00 C ATOM 1687 C PRO A 107 7.844 3.372 -11.687 1.00 0.00 C ATOM 1688 O PRO A 107 8.614 2.694 -12.353 1.00 0.00 O ATOM 1689 CB PRO A 107 6.021 2.218 -10.364 1.00 0.00 C ATOM 1690 CG PRO A 107 5.074 3.218 -9.823 1.00 0.00 C ATOM 1691 CD PRO A 107 5.851 4.008 -8.824 1.00 0.00 C ATOM 0 HA PRO A 107 8.183 2.212 -9.980 1.00 0.00 H new ATOM 0 HB2 PRO A 107 5.762 1.943 -11.386 1.00 0.00 H new ATOM 0 HB3 PRO A 107 6.006 1.302 -9.774 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.687 3.860 -10.615 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.216 2.733 -9.357 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.470 5.025 -8.731 1.00 0.00 H new ATOM 0 HD3 PRO A 107 5.805 3.558 -7.832 1.00 0.00 H new ATOM 1699 N ASN A 108 7.431 4.570 -12.073 1.00 0.00 N ATOM 1700 CA ASN A 108 7.758 5.109 -13.353 1.00 0.00 C ATOM 1701 C ASN A 108 9.196 5.610 -13.338 1.00 0.00 C ATOM 1702 O ASN A 108 9.918 5.493 -14.318 1.00 0.00 O ATOM 1703 CB ASN A 108 6.817 6.263 -13.664 1.00 0.00 C ATOM 1704 CG ASN A 108 5.347 5.882 -13.653 1.00 0.00 C ATOM 1705 OD1 ASN A 108 4.686 5.953 -12.620 1.00 0.00 O ATOM 1706 ND2 ASN A 108 4.821 5.494 -14.778 1.00 0.00 N ATOM 0 H ASN A 108 6.859 5.185 -11.494 1.00 0.00 H new ATOM 0 HA ASN A 108 7.653 4.338 -14.116 1.00 0.00 H new ATOM 0 HB2 ASN A 108 6.981 7.058 -12.937 1.00 0.00 H new ATOM 0 HB3 ASN A 108 7.069 6.670 -14.643 1.00 0.00 H new ATOM 0 HD21 ASN A 108 3.834 5.239 -14.818 1.00 0.00 H new ATOM 0 HD22 ASN A 108 5.395 5.445 -15.620 1.00 0.00 H new ATOM 1713 N GLN A 109 9.602 6.153 -12.210 1.00 0.00 N ATOM 1714 CA GLN A 109 10.951 6.687 -12.020 1.00 0.00 C ATOM 1715 C GLN A 109 11.976 5.560 -11.851 1.00 0.00 C ATOM 1716 O GLN A 109 12.988 5.508 -12.539 1.00 0.00 O ATOM 1717 CB GLN A 109 10.981 7.584 -10.778 1.00 0.00 C ATOM 1718 CG GLN A 109 10.126 8.836 -10.876 1.00 0.00 C ATOM 1719 CD GLN A 109 10.041 9.596 -9.560 1.00 0.00 C ATOM 1720 OE1 GLN A 109 10.955 9.556 -8.733 1.00 0.00 O ATOM 1721 NE2 GLN A 109 8.972 10.323 -9.376 1.00 0.00 N ATOM 0 H GLN A 109 9.006 6.241 -11.387 1.00 0.00 H new ATOM 0 HA GLN A 109 11.213 7.264 -12.907 1.00 0.00 H new ATOM 0 HB2 GLN A 109 10.650 7.001 -9.918 1.00 0.00 H new ATOM 0 HB3 GLN A 109 12.012 7.879 -10.585 1.00 0.00 H new ATOM 0 HG2 GLN A 109 10.537 9.492 -11.643 1.00 0.00 H new ATOM 0 HG3 GLN A 109 9.121 8.560 -11.197 1.00 0.00 H new ATOM 0 HE21 GLN A 109 8.235 10.333 -10.081 1.00 0.00 H new ATOM 0 HE22 GLN A 109 8.874 10.881 -8.528 1.00 0.00 H new ATOM 1730 N CYS A 110 11.666 4.634 -10.970 1.00 0.00 N ATOM 1731 CA CYS A 110 12.583 3.565 -10.590 1.00 0.00 C ATOM 1732 C CYS A 110 12.551 2.403 -11.610 1.00 0.00 C ATOM 1733 O CYS A 110 13.315 1.434 -11.489 1.00 0.00 O ATOM 1734 CB CYS A 110 12.233 3.092 -9.153 1.00 0.00 C ATOM 1735 SG CYS A 110 13.385 1.899 -8.369 1.00 0.00 S ATOM 0 H CYS A 110 10.767 4.595 -10.490 1.00 0.00 H new ATOM 0 HA CYS A 110 13.605 3.943 -10.596 1.00 0.00 H new ATOM 0 HB2 CYS A 110 12.168 3.972 -8.513 1.00 0.00 H new ATOM 0 HB3 CYS A 110 11.241 2.641 -9.176 1.00 0.00 H new ATOM 1740 N ASN A 111 11.676 2.531 -12.631 1.00 0.00 N ATOM 1741 CA ASN A 111 11.538 1.538 -13.728 1.00 0.00 C ATOM 1742 C ASN A 111 10.987 0.211 -13.177 1.00 0.00 C ATOM 1743 O ASN A 111 11.395 -0.882 -13.550 1.00 0.00 O ATOM 1744 CB ASN A 111 12.898 1.370 -14.484 1.00 0.00 C ATOM 1745 CG ASN A 111 12.841 0.462 -15.721 1.00 0.00 C ATOM 1746 OD1 ASN A 111 13.114 -0.742 -15.653 1.00 0.00 O ATOM 1747 ND2 ASN A 111 12.477 1.017 -16.839 1.00 0.00 N ATOM 0 H ASN A 111 11.043 3.326 -12.721 1.00 0.00 H new ATOM 0 HA ASN A 111 10.816 1.898 -14.461 1.00 0.00 H new ATOM 0 HB2 ASN A 111 13.251 2.355 -14.790 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.636 0.968 -13.790 1.00 0.00 H new ATOM 0 HD21 ASN A 111 12.411 0.457 -17.689 1.00 0.00 H new ATOM 0 HD22 ASN A 111 12.258 2.013 -16.866 1.00 0.00 H new ATOM 1754 N LEU A 112 10.013 0.328 -12.324 1.00 0.00 N ATOM 1755 CA LEU A 112 9.408 -0.827 -11.693 1.00 0.00 C ATOM 1756 C LEU A 112 8.368 -1.445 -12.621 1.00 0.00 C ATOM 1757 O LEU A 112 7.828 -0.764 -13.490 1.00 0.00 O ATOM 1758 CB LEU A 112 8.796 -0.441 -10.341 1.00 0.00 C ATOM 1759 CG LEU A 112 9.770 0.233 -9.365 1.00 0.00 C ATOM 1760 CD1 LEU A 112 9.106 0.573 -8.035 1.00 0.00 C ATOM 1761 CD2 LEU A 112 10.998 -0.631 -9.152 1.00 0.00 C ATOM 0 H LEU A 112 9.610 1.221 -12.041 1.00 0.00 H new ATOM 0 HA LEU A 112 10.178 -1.575 -11.504 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.956 0.231 -10.516 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.394 -1.338 -9.870 1.00 0.00 H new ATOM 0 HG LEU A 112 10.082 1.175 -9.816 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.833 1.048 -7.376 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.273 1.255 -8.208 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.737 -0.340 -7.569 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.676 -0.135 -8.457 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.698 -1.595 -8.741 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.504 -0.785 -10.105 1.00 0.00 H new ATOM 1773 N GLN A 113 8.068 -2.717 -12.408 1.00 0.00 N ATOM 1774 CA GLN A 113 7.156 -3.529 -13.269 1.00 0.00 C ATOM 1775 C GLN A 113 5.689 -3.183 -13.068 1.00 0.00 C ATOM 1776 O GLN A 113 4.803 -4.018 -13.277 1.00 0.00 O ATOM 1777 CB GLN A 113 7.367 -4.999 -12.947 1.00 0.00 C ATOM 1778 CG GLN A 113 8.775 -5.471 -13.176 1.00 0.00 C ATOM 1779 CD GLN A 113 9.168 -5.473 -14.640 1.00 0.00 C ATOM 1780 OE1 GLN A 113 8.984 -6.462 -15.343 1.00 0.00 O ATOM 1781 NE2 GLN A 113 9.703 -4.387 -15.112 1.00 0.00 N ATOM 0 H GLN A 113 8.448 -3.244 -11.622 1.00 0.00 H new ATOM 0 HA GLN A 113 7.399 -3.307 -14.308 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.099 -5.176 -11.905 1.00 0.00 H new ATOM 0 HB3 GLN A 113 6.689 -5.596 -13.557 1.00 0.00 H new ATOM 0 HG2 GLN A 113 9.462 -4.831 -12.622 1.00 0.00 H new ATOM 0 HG3 GLN A 113 8.884 -6.478 -12.775 1.00 0.00 H new ATOM 0 HE21 GLN A 113 9.843 -3.581 -14.503 1.00 0.00 H new ATOM 0 HE22 GLN A 113 9.983 -4.340 -16.092 1.00 0.00 H new ATOM 1790 N CYS A 114 5.441 -1.966 -12.757 1.00 0.00 N ATOM 1791 CA CYS A 114 4.149 -1.491 -12.411 1.00 0.00 C ATOM 1792 C CYS A 114 4.100 -0.019 -12.724 1.00 0.00 C ATOM 1793 O CYS A 114 5.147 0.614 -12.858 1.00 0.00 O ATOM 1794 CB CYS A 114 3.960 -1.710 -10.914 1.00 0.00 C ATOM 1795 SG CYS A 114 3.802 -3.455 -10.377 1.00 0.00 S ATOM 0 H CYS A 114 6.159 -1.242 -12.735 1.00 0.00 H new ATOM 0 HA CYS A 114 3.365 -2.010 -12.962 1.00 0.00 H new ATOM 0 HB2 CYS A 114 4.806 -1.264 -10.391 1.00 0.00 H new ATOM 0 HB3 CYS A 114 3.068 -1.170 -10.597 1.00 0.00 H new ATOM 1800 N SER A 115 2.927 0.506 -12.858 1.00 0.00 N ATOM 1801 CA SER A 115 2.717 1.896 -13.108 1.00 0.00 C ATOM 1802 C SER A 115 1.427 2.303 -12.411 1.00 0.00 C ATOM 1803 O SER A 115 0.490 1.487 -12.300 1.00 0.00 O ATOM 1804 CB SER A 115 2.661 2.145 -14.624 1.00 0.00 C ATOM 1805 OG SER A 115 1.727 1.269 -15.256 1.00 0.00 O ATOM 0 H SER A 115 2.064 -0.034 -12.795 1.00 0.00 H new ATOM 0 HA SER A 115 3.535 2.500 -12.716 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.379 3.181 -14.815 1.00 0.00 H new ATOM 0 HB3 SER A 115 3.651 1.999 -15.056 1.00 0.00 H new ATOM 0 HG SER A 115 1.710 1.449 -16.219 1.00 0.00 H new ATOM 1811 N ILE A 116 1.375 3.496 -11.895 1.00 0.00 N ATOM 1812 CA ILE A 116 0.213 3.941 -11.189 1.00 0.00 C ATOM 1813 C ILE A 116 -0.392 5.117 -11.924 1.00 0.00 C ATOM 1814 O ILE A 116 -1.381 4.913 -12.645 1.00 0.00 O ATOM 1815 CB ILE A 116 0.538 4.275 -9.707 1.00 0.00 C ATOM 1816 CG1 ILE A 116 1.156 3.027 -9.040 1.00 0.00 C ATOM 1817 CG2 ILE A 116 -0.736 4.693 -8.969 1.00 0.00 C ATOM 1818 CD1 ILE A 116 1.656 3.221 -7.632 1.00 0.00 C ATOM 1819 OXT ILE A 116 0.173 6.220 -11.894 1.00 0.00 O ATOM 0 H ILE A 116 2.129 4.181 -11.951 1.00 0.00 H new ATOM 0 HA ILE A 116 -0.521 3.136 -11.159 1.00 0.00 H new ATOM 0 HB ILE A 116 1.246 5.103 -9.663 1.00 0.00 H new ATOM 0 HG12 ILE A 116 0.410 2.233 -9.035 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.986 2.681 -9.657 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -0.496 4.925 -7.931 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -1.162 5.574 -9.448 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -1.459 3.878 -9.001 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.069 2.283 -7.260 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.431 3.988 -7.623 1.00 0.00 H new ATOM 0 HD13 ILE A 116 0.830 3.532 -6.992 1.00 0.00 H new