USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=22 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 33 GLN :FLIP amide:sc= -1.36 F(o=-2.9!,f=-0.48) USER MOD Set 1.2: A 37 THR OG1 : rot -171:sc= 1.21 USER MOD Set 1.3: A 85 GLN : amide:sc= -0.33 K(o=-0.48,f=-2.3) USER MOD Set 2.1: A 84 LYS NZ :NH3+ -172:sc= 1.21 (180deg=0) USER MOD Set 2.2: A 88 GLN : amide:sc= 0.955 K(o=2.2,f=-7.4) USER MOD Set 3.1: A 61 ASN : amide:sc= -0.327 X(o=-1.1,f=-1.3) USER MOD Set 3.2: A 64 GLN : amide:sc= -0.792 K(o=-1.1,f=-4.5!) USER MOD Set 4.1: A 34 MET CE :methyl -120:sc= 0 (180deg=-0.395) USER MOD Set 4.2: A 35 HIS :FLIP no HD1:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 4 THR OG1 : rot 160:sc= 1.05 USER MOD Single : A 5 LYS NZ :NH3+ 167:sc= -0.0101 (180deg=-0.161) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= -1.14! C(o=-1.1!,f=-9.3!) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 31 HIS :FLIP no HD1:sc= -0.0699 F(o=-0.74,f=-0.07) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -1.64 X(o=-1.6,f=-1.6) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.676 K(o=-0.68,f=-1.3) USER MOD Single : A 68 LYS NZ :NH3+ 168:sc= -0.0154 (180deg=-0.161) USER MOD Single : A 69 GLN : amide:sc= 0.759 K(o=0.76,f=-0.9) USER MOD Single : A 71 GLN :FLIP amide:sc= -5.56! C(o=-7.5!,f=-5.6!) USER MOD Single : A 76 LYS NZ :NH3+ 152:sc= -0.124 (180deg=-0.84) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 81 GLN : amide:sc= -1.15 K(o=-1.1,f=-4.1!) USER MOD Single : A 83 GLN :FLIP amide:sc= -0.346 F(o=-1.5!,f=-0.35) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.032) USER MOD Single : A 93 GLN : amide:sc= -2.46! C(o=-2.5!,f=-13!) USER MOD Single : A 94 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 95 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -179:sc= 1.18 (180deg=1.15) 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=-1.3) USER MOD Single : A 105 MET CE :methyl 164:sc= -0.0694 (180deg=-0.424) USER MOD Single : A 108 ASN : amide:sc= 1.22 K(o=1.2,f=-5.7!) USER MOD Single : A 109 GLN : amide:sc= -0.094 K(o=-0.094,f=-0.63) USER MOD Single : A 111 ASN :FLIP amide:sc= -0.0909 F(o=-0.82,f=-0.091) USER MOD Single : A 113 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N CYS A 3 -16.337 -4.179 -7.854 1.00 0.00 N ATOM 35 CA CYS A 3 -17.202 -3.531 -8.782 1.00 0.00 C ATOM 36 C CYS A 3 -18.618 -3.966 -8.509 1.00 0.00 C ATOM 37 O CYS A 3 -18.845 -5.074 -7.998 1.00 0.00 O ATOM 38 CB CYS A 3 -16.800 -3.862 -10.226 1.00 0.00 C ATOM 39 SG CYS A 3 -15.065 -3.451 -10.666 1.00 0.00 S ATOM 0 HA CYS A 3 -17.122 -2.451 -8.660 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -16.959 -4.927 -10.396 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -17.466 -3.328 -10.904 1.00 0.00 H new ATOM 44 N THR A 4 -19.555 -3.111 -8.806 1.00 0.00 N ATOM 45 CA THR A 4 -20.946 -3.395 -8.606 1.00 0.00 C ATOM 46 C THR A 4 -21.412 -4.464 -9.583 1.00 0.00 C ATOM 47 O THR A 4 -20.797 -4.661 -10.653 1.00 0.00 O ATOM 48 CB THR A 4 -21.792 -2.126 -8.817 1.00 0.00 C ATOM 49 OG1 THR A 4 -21.557 -1.596 -10.134 1.00 0.00 O ATOM 50 CG2 THR A 4 -21.450 -1.068 -7.788 1.00 0.00 C ATOM 0 H THR A 4 -19.372 -2.187 -9.198 1.00 0.00 H new ATOM 0 HA THR A 4 -21.073 -3.751 -7.584 1.00 0.00 H new ATOM 0 HB THR A 4 -22.842 -2.397 -8.706 1.00 0.00 H new ATOM 0 HG1 THR A 4 -22.299 -1.008 -10.387 1.00 0.00 H new ATOM 0 HG21 THR A 4 -22.062 -0.182 -7.960 1.00 0.00 H new ATOM 0 HG22 THR A 4 -21.646 -1.456 -6.788 1.00 0.00 H new ATOM 0 HG23 THR A 4 -20.396 -0.803 -7.875 1.00 0.00 H new ATOM 58 N LYS A 5 -22.451 -5.172 -9.234 1.00 0.00 N ATOM 59 CA LYS A 5 -23.010 -6.131 -10.140 1.00 0.00 C ATOM 60 C LYS A 5 -24.029 -5.419 -11.016 1.00 0.00 C ATOM 61 O LYS A 5 -25.235 -5.491 -10.779 1.00 0.00 O ATOM 62 CB LYS A 5 -23.658 -7.322 -9.410 1.00 0.00 C ATOM 63 CG LYS A 5 -22.759 -8.032 -8.395 1.00 0.00 C ATOM 64 CD LYS A 5 -21.437 -8.471 -9.003 1.00 0.00 C ATOM 65 CE LYS A 5 -20.614 -9.298 -8.023 1.00 0.00 C ATOM 66 NZ LYS A 5 -21.248 -10.598 -7.703 1.00 0.00 N ATOM 0 H LYS A 5 -22.924 -5.102 -8.333 1.00 0.00 H new ATOM 0 HA LYS A 5 -22.207 -6.548 -10.748 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -24.552 -6.969 -8.895 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -23.984 -8.049 -10.153 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -22.566 -7.365 -7.555 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -23.281 -8.903 -7.998 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -21.627 -9.056 -9.903 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -20.867 -7.593 -9.307 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -19.624 -9.474 -8.444 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -20.473 -8.730 -7.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -20.561 -11.209 -7.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -22.069 -10.441 -7.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -21.559 -11.058 -8.582 1.00 0.00 H new ATOM 80 N SER A 6 -23.533 -4.634 -11.932 1.00 0.00 N ATOM 81 CA SER A 6 -24.359 -3.911 -12.847 1.00 0.00 C ATOM 82 C SER A 6 -23.580 -3.741 -14.136 1.00 0.00 C ATOM 83 O SER A 6 -22.380 -4.030 -14.169 1.00 0.00 O ATOM 84 CB SER A 6 -24.720 -2.539 -12.250 1.00 0.00 C ATOM 85 OG SER A 6 -25.675 -1.849 -13.047 1.00 0.00 O ATOM 0 H SER A 6 -22.533 -4.479 -12.062 1.00 0.00 H new ATOM 0 HA SER A 6 -25.287 -4.450 -13.039 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.116 -2.674 -11.244 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.818 -1.934 -12.159 1.00 0.00 H new ATOM 0 HG SER A 6 -25.880 -0.984 -12.635 1.00 0.00 H new ATOM 91 N ILE A 7 -24.249 -3.334 -15.181 1.00 0.00 N ATOM 92 CA ILE A 7 -23.627 -3.068 -16.462 1.00 0.00 C ATOM 93 C ILE A 7 -24.052 -1.673 -16.918 1.00 0.00 C ATOM 94 O ILE A 7 -25.247 -1.418 -17.064 1.00 0.00 O ATOM 95 CB ILE A 7 -24.031 -4.130 -17.538 1.00 0.00 C ATOM 96 CG1 ILE A 7 -23.539 -5.542 -17.142 1.00 0.00 C ATOM 97 CG2 ILE A 7 -23.511 -3.745 -18.931 1.00 0.00 C ATOM 98 CD1 ILE A 7 -22.025 -5.700 -17.096 1.00 0.00 C ATOM 0 H ILE A 7 -25.256 -3.174 -15.172 1.00 0.00 H new ATOM 0 HA ILE A 7 -22.544 -3.125 -16.348 1.00 0.00 H new ATOM 0 HB ILE A 7 -25.120 -4.150 -17.582 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -23.946 -5.792 -16.162 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -23.945 -6.265 -17.850 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -23.810 -4.504 -19.654 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -23.930 -2.782 -19.222 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -22.424 -3.675 -18.907 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -21.774 -6.721 -16.810 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -21.607 -5.486 -18.080 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -21.609 -5.006 -16.366 1.00 0.00 H new ATOM 110 N PRO A 8 -23.102 -0.732 -17.103 1.00 0.00 N ATOM 111 CA PRO A 8 -21.666 -0.960 -16.864 1.00 0.00 C ATOM 112 C PRO A 8 -21.340 -1.041 -15.360 1.00 0.00 C ATOM 113 O PRO A 8 -22.007 -0.395 -14.533 1.00 0.00 O ATOM 114 CB PRO A 8 -21.006 0.273 -17.489 1.00 0.00 C ATOM 115 CG PRO A 8 -22.042 1.336 -17.410 1.00 0.00 C ATOM 116 CD PRO A 8 -23.364 0.642 -17.580 1.00 0.00 C ATOM 0 HA PRO A 8 -21.320 -1.904 -17.286 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -20.104 0.558 -16.946 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -20.711 0.084 -18.521 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -21.995 1.856 -16.453 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -21.892 2.085 -18.188 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -24.148 1.126 -16.997 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -23.689 0.650 -18.620 1.00 0.00 H new ATOM 124 N PRO A 9 -20.341 -1.845 -14.981 1.00 0.00 N ATOM 125 CA PRO A 9 -19.979 -2.025 -13.584 1.00 0.00 C ATOM 126 C PRO A 9 -19.286 -0.795 -13.009 1.00 0.00 C ATOM 127 O PRO A 9 -18.410 -0.189 -13.657 1.00 0.00 O ATOM 128 CB PRO A 9 -19.017 -3.211 -13.607 1.00 0.00 C ATOM 129 CG PRO A 9 -18.422 -3.186 -14.970 1.00 0.00 C ATOM 130 CD PRO A 9 -19.484 -2.645 -15.882 1.00 0.00 C ATOM 0 HA PRO A 9 -20.855 -2.187 -12.956 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -18.250 -3.114 -12.838 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -19.540 -4.149 -13.420 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -17.531 -2.558 -14.994 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -18.116 -4.185 -15.279 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -19.057 -2.033 -16.677 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -20.046 -3.446 -16.363 1.00 0.00 H new ATOM 138 N ILE A 10 -19.675 -0.424 -11.826 1.00 0.00 N ATOM 139 CA ILE A 10 -19.093 0.701 -11.140 1.00 0.00 C ATOM 140 C ILE A 10 -18.035 0.142 -10.221 1.00 0.00 C ATOM 141 O ILE A 10 -18.322 -0.738 -9.420 1.00 0.00 O ATOM 142 CB ILE A 10 -20.158 1.442 -10.292 1.00 0.00 C ATOM 143 CG1 ILE A 10 -21.404 1.779 -11.138 1.00 0.00 C ATOM 144 CG2 ILE A 10 -19.573 2.701 -9.654 1.00 0.00 C ATOM 145 CD1 ILE A 10 -21.145 2.680 -12.332 1.00 0.00 C ATOM 0 H ILE A 10 -20.412 -0.895 -11.301 1.00 0.00 H new ATOM 0 HA ILE A 10 -18.682 1.411 -11.857 1.00 0.00 H new ATOM 0 HB ILE A 10 -20.469 0.774 -9.489 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -21.846 0.848 -11.494 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -22.143 2.257 -10.495 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -20.342 3.201 -9.065 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -18.740 2.427 -9.006 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -19.219 3.374 -10.435 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -22.080 2.859 -12.863 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -20.735 3.630 -11.989 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -20.433 2.199 -13.003 1.00 0.00 H new ATOM 157 N CYS A 11 -16.836 0.600 -10.346 1.00 0.00 N ATOM 158 CA CYS A 11 -15.767 0.048 -9.574 1.00 0.00 C ATOM 159 C CYS A 11 -15.276 1.007 -8.520 1.00 0.00 C ATOM 160 O CYS A 11 -15.210 2.226 -8.732 1.00 0.00 O ATOM 161 CB CYS A 11 -14.650 -0.431 -10.482 1.00 0.00 C ATOM 162 SG CYS A 11 -15.201 -1.703 -11.682 1.00 0.00 S ATOM 0 H CYS A 11 -16.568 1.356 -10.975 1.00 0.00 H new ATOM 0 HA CYS A 11 -16.152 -0.818 -9.036 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -14.240 0.420 -11.025 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -13.843 -0.839 -9.873 1.00 0.00 H new ATOM 310 N CYS A 22 2.734 -8.874 -2.400 1.00 0.00 N ATOM 311 CA CYS A 22 4.008 -8.894 -1.807 1.00 0.00 C ATOM 312 C CYS A 22 3.961 -8.236 -0.465 1.00 0.00 C ATOM 313 O CYS A 22 3.256 -7.238 -0.280 1.00 0.00 O ATOM 314 CB CYS A 22 4.991 -8.170 -2.680 1.00 0.00 C ATOM 315 SG CYS A 22 5.511 -9.066 -4.167 1.00 0.00 S ATOM 0 HA CYS A 22 4.321 -9.931 -1.689 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.552 -7.220 -2.983 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.876 -7.938 -2.088 1.00 0.00 H new ATOM 320 N GLN A 23 4.655 -8.796 0.468 1.00 0.00 N ATOM 321 CA GLN A 23 4.784 -8.179 1.735 1.00 0.00 C ATOM 322 C GLN A 23 6.132 -7.481 1.765 1.00 0.00 C ATOM 323 O GLN A 23 7.167 -8.075 1.436 1.00 0.00 O ATOM 324 CB GLN A 23 4.623 -9.186 2.869 1.00 0.00 C ATOM 325 CG GLN A 23 5.709 -10.242 2.944 1.00 0.00 C ATOM 326 CD GLN A 23 5.528 -11.200 4.094 1.00 0.00 C ATOM 327 OE1 GLN A 23 4.405 -11.505 4.507 1.00 0.00 O ATOM 328 NE2 GLN A 23 6.615 -11.666 4.626 1.00 0.00 N ATOM 0 H GLN A 23 5.143 -9.686 0.371 1.00 0.00 H new ATOM 0 HA GLN A 23 3.990 -7.448 1.887 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.597 -8.645 3.815 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.659 -9.684 2.759 1.00 0.00 H new ATOM 0 HG2 GLN A 23 5.725 -10.804 2.010 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.678 -9.751 3.037 1.00 0.00 H new ATOM 0 HE21 GLN A 23 7.524 -11.389 4.255 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.561 -12.310 5.416 1.00 0.00 H new ATOM 337 N ILE A 24 6.116 -6.225 2.041 1.00 0.00 N ATOM 338 CA ILE A 24 7.308 -5.439 2.038 1.00 0.00 C ATOM 339 C ILE A 24 7.511 -4.853 3.424 1.00 0.00 C ATOM 340 O ILE A 24 6.541 -4.558 4.119 1.00 0.00 O ATOM 341 CB ILE A 24 7.277 -4.299 0.952 1.00 0.00 C ATOM 342 CG1 ILE A 24 6.956 -4.834 -0.452 1.00 0.00 C ATOM 343 CG2 ILE A 24 8.603 -3.585 0.878 1.00 0.00 C ATOM 344 CD1 ILE A 24 5.511 -5.068 -0.761 1.00 0.00 C ATOM 0 H ILE A 24 5.271 -5.706 2.278 1.00 0.00 H new ATOM 0 HA ILE A 24 8.144 -6.088 1.777 1.00 0.00 H new ATOM 0 HB ILE A 24 6.488 -3.615 1.264 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.352 -4.131 -1.184 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.491 -5.773 -0.590 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.553 -2.803 0.120 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.830 -3.138 1.846 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.385 -4.297 0.614 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.413 -5.445 -1.779 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.103 -5.799 -0.063 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.962 -4.131 -0.666 1.00 0.00 H new ATOM 356 N ARG A 25 8.752 -4.727 3.832 1.00 0.00 N ATOM 357 CA ARG A 25 9.097 -4.224 5.132 1.00 0.00 C ATOM 358 C ARG A 25 8.692 -2.748 5.250 1.00 0.00 C ATOM 359 O ARG A 25 9.156 -1.887 4.495 1.00 0.00 O ATOM 360 CB ARG A 25 10.611 -4.424 5.379 1.00 0.00 C ATOM 361 CG ARG A 25 11.481 -3.718 4.354 1.00 0.00 C ATOM 362 CD ARG A 25 12.950 -4.023 4.485 1.00 0.00 C ATOM 363 NE ARG A 25 13.673 -3.425 3.357 1.00 0.00 N ATOM 364 CZ ARG A 25 14.991 -3.302 3.219 1.00 0.00 C ATOM 365 NH1 ARG A 25 15.816 -3.678 4.194 1.00 0.00 N ATOM 366 NH2 ARG A 25 15.473 -2.767 2.090 1.00 0.00 N ATOM 0 H ARG A 25 9.558 -4.976 3.259 1.00 0.00 H new ATOM 0 HA ARG A 25 8.553 -4.776 5.898 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.862 -4.057 6.374 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.837 -5.490 5.366 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.149 -4.000 3.355 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.334 -2.642 4.447 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.332 -3.629 5.427 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.109 -5.101 4.503 1.00 0.00 H new ATOM 0 HE ARG A 25 13.102 -3.063 2.593 1.00 0.00 H new ATOM 0 HH11 ARG A 25 15.440 -4.066 5.059 1.00 0.00 H new ATOM 0 HH12 ARG A 25 16.824 -3.578 4.076 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.833 -2.463 1.356 1.00 0.00 H new ATOM 0 HH22 ARG A 25 16.480 -2.664 1.964 1.00 0.00 H new ATOM 380 N ILE A 26 7.840 -2.459 6.208 1.00 0.00 N ATOM 381 CA ILE A 26 7.298 -1.112 6.386 1.00 0.00 C ATOM 382 C ILE A 26 8.355 -0.133 6.845 1.00 0.00 C ATOM 383 O ILE A 26 8.185 1.084 6.748 1.00 0.00 O ATOM 384 CB ILE A 26 6.037 -1.082 7.327 1.00 0.00 C ATOM 385 CG1 ILE A 26 6.296 -1.649 8.752 1.00 0.00 C ATOM 386 CG2 ILE A 26 4.901 -1.827 6.683 1.00 0.00 C ATOM 387 CD1 ILE A 26 7.071 -0.742 9.693 1.00 0.00 C ATOM 0 H ILE A 26 7.499 -3.140 6.887 1.00 0.00 H new ATOM 0 HA ILE A 26 6.959 -0.791 5.401 1.00 0.00 H new ATOM 0 HB ILE A 26 5.783 -0.030 7.459 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.335 -1.881 9.211 1.00 0.00 H new ATOM 0 HG13 ILE A 26 6.838 -2.590 8.655 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.031 -1.802 7.340 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.651 -1.357 5.732 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.196 -2.862 6.510 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.194 -1.237 10.656 1.00 0.00 H new ATOM 0 HD12 ILE A 26 8.051 -0.529 9.267 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.525 0.191 9.831 1.00 0.00 H new ATOM 399 N GLN A 27 9.463 -0.677 7.298 1.00 0.00 N ATOM 400 CA GLN A 27 10.544 0.116 7.814 1.00 0.00 C ATOM 401 C GLN A 27 11.305 0.773 6.686 1.00 0.00 C ATOM 402 O GLN A 27 11.968 1.785 6.886 1.00 0.00 O ATOM 403 CB GLN A 27 11.483 -0.732 8.670 1.00 0.00 C ATOM 404 CG GLN A 27 12.126 -1.888 7.925 1.00 0.00 C ATOM 405 CD GLN A 27 13.073 -2.677 8.784 1.00 0.00 C ATOM 406 OE1 GLN A 27 14.267 -2.391 8.831 1.00 0.00 O ATOM 407 NE2 GLN A 27 12.563 -3.653 9.471 1.00 0.00 N ATOM 0 H GLN A 27 9.635 -1.682 7.317 1.00 0.00 H new ATOM 0 HA GLN A 27 10.120 0.896 8.447 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.268 -0.092 9.073 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.926 -1.126 9.520 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.347 -2.550 7.548 1.00 0.00 H new ATOM 0 HG3 GLN A 27 12.663 -1.502 7.059 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.566 -3.858 9.404 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.159 -4.215 10.078 1.00 0.00 H new ATOM 416 N GLN A 28 11.180 0.226 5.486 1.00 0.00 N ATOM 417 CA GLN A 28 11.904 0.780 4.385 1.00 0.00 C ATOM 418 C GLN A 28 11.116 1.928 3.775 1.00 0.00 C ATOM 419 O GLN A 28 11.671 2.940 3.374 1.00 0.00 O ATOM 420 CB GLN A 28 12.237 -0.268 3.324 1.00 0.00 C ATOM 421 CG GLN A 28 11.101 -0.643 2.402 1.00 0.00 C ATOM 422 CD GLN A 28 11.552 -1.424 1.209 1.00 0.00 C ATOM 423 OE1 GLN A 28 12.526 -2.156 1.267 1.00 0.00 O ATOM 424 NE2 GLN A 28 10.864 -1.266 0.120 1.00 0.00 N ATOM 0 H GLN A 28 10.596 -0.581 5.266 1.00 0.00 H new ATOM 0 HA GLN A 28 12.853 1.154 4.768 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.065 0.102 2.720 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.587 -1.170 3.826 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.368 -1.228 2.957 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.597 0.264 2.067 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.055 -0.644 0.113 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.132 -1.764 -0.729 1.00 0.00 H new ATOM 433 N LEU A 29 9.789 1.796 3.775 1.00 0.00 N ATOM 434 CA LEU A 29 8.952 2.811 3.170 1.00 0.00 C ATOM 435 C LEU A 29 8.782 3.968 4.069 1.00 0.00 C ATOM 436 O LEU A 29 8.263 4.989 3.656 1.00 0.00 O ATOM 437 CB LEU A 29 7.579 2.310 2.722 1.00 0.00 C ATOM 438 CG LEU A 29 7.532 1.279 1.605 1.00 0.00 C ATOM 439 CD1 LEU A 29 8.582 1.568 0.535 1.00 0.00 C ATOM 440 CD2 LEU A 29 7.606 -0.134 2.141 1.00 0.00 C ATOM 0 H LEU A 29 9.285 1.008 4.182 1.00 0.00 H new ATOM 0 HA LEU A 29 9.487 3.111 2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.077 1.885 3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.994 3.174 2.406 1.00 0.00 H new ATOM 0 HG LEU A 29 6.562 1.363 1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.521 0.812 -0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.401 2.553 0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.575 1.546 0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.569 -0.840 1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.538 -0.267 2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.763 -0.315 2.809 1.00 0.00 H new ATOM 452 N ASN A 30 9.264 3.820 5.292 1.00 0.00 N ATOM 453 CA ASN A 30 9.205 4.856 6.300 1.00 0.00 C ATOM 454 C ASN A 30 9.820 6.142 5.768 1.00 0.00 C ATOM 455 O ASN A 30 9.330 7.227 6.051 1.00 0.00 O ATOM 456 CB ASN A 30 9.939 4.413 7.566 1.00 0.00 C ATOM 457 CG ASN A 30 9.828 5.414 8.709 1.00 0.00 C ATOM 458 OD1 ASN A 30 8.815 6.118 8.858 1.00 0.00 O ATOM 459 ND2 ASN A 30 10.858 5.495 9.518 1.00 0.00 N ATOM 0 H ASN A 30 9.713 2.962 5.613 1.00 0.00 H new ATOM 0 HA ASN A 30 8.159 5.038 6.547 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.539 3.453 7.893 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.992 4.256 7.331 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.843 6.151 10.299 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.674 4.902 9.366 1.00 0.00 H new ATOM 466 N HIS A 31 10.846 5.998 4.925 1.00 0.00 N ATOM 467 CA HIS A 31 11.522 7.149 4.360 1.00 0.00 C ATOM 468 C HIS A 31 10.592 7.847 3.376 1.00 0.00 C ATOM 469 O HIS A 31 10.277 9.028 3.544 1.00 0.00 O ATOM 470 CB HIS A 31 12.804 6.742 3.638 1.00 0.00 C ATOM 471 CG HIS A 31 13.759 7.875 3.458 1.00 0.00 C ATOM 472 ND1 HIS A 31 13.568 9.117 2.941 1.00 0.00 N flip ATOM 473 CD2 HIS A 31 15.067 7.819 3.841 1.00 0.00 C flip ATOM 474 CE1 HIS A 31 14.760 9.818 3.019 1.00 0.00 C flip ATOM 475 NE2 HIS A 31 15.622 8.982 3.575 1.00 0.00 N flip ATOM 0 H HIS A 31 11.219 5.097 4.625 1.00 0.00 H new ATOM 0 HA HIS A 31 11.787 7.822 5.175 1.00 0.00 H new ATOM 0 HB2 HIS A 31 13.294 5.947 4.200 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.549 6.331 2.661 1.00 0.00 H new ATOM 0 HD2 HIS A 31 15.561 6.968 4.285 1.00 0.00 H new ATOM 0 HE1 HIS A 31 14.946 10.831 2.695 1.00 0.00 H new ATOM 0 HE2 HIS A 31 16.596 9.211 3.773 1.00 0.00 H new ATOM 483 N CYS A 32 10.144 7.094 2.373 1.00 0.00 N ATOM 484 CA CYS A 32 9.244 7.601 1.349 1.00 0.00 C ATOM 485 C CYS A 32 7.984 8.178 1.987 1.00 0.00 C ATOM 486 O CYS A 32 7.596 9.290 1.687 1.00 0.00 O ATOM 487 CB CYS A 32 8.905 6.491 0.331 1.00 0.00 C ATOM 488 SG CYS A 32 9.714 6.652 -1.292 1.00 0.00 S ATOM 0 H CYS A 32 10.398 6.114 2.251 1.00 0.00 H new ATOM 0 HA CYS A 32 9.742 8.406 0.809 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.181 5.529 0.762 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.826 6.476 0.181 1.00 0.00 H new ATOM 493 N GLN A 33 7.403 7.427 2.907 1.00 0.00 N ATOM 494 CA GLN A 33 6.251 7.824 3.667 1.00 0.00 C ATOM 495 C GLN A 33 6.456 9.181 4.345 1.00 0.00 C ATOM 496 O GLN A 33 5.717 10.118 4.076 1.00 0.00 O ATOM 497 CB GLN A 33 5.969 6.755 4.712 1.00 0.00 C ATOM 498 CG GLN A 33 4.944 7.152 5.742 1.00 0.00 C ATOM 499 CD GLN A 33 4.740 6.107 6.841 1.00 0.00 C ATOM 500 OE1 GLN A 33 5.778 5.391 7.177 1.00 0.00 O flip ATOM 501 NE2 GLN A 33 3.652 5.962 7.395 1.00 0.00 N flip ATOM 0 H GLN A 33 7.739 6.494 3.146 1.00 0.00 H new ATOM 0 HA GLN A 33 5.404 7.929 2.989 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.629 5.851 4.207 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.900 6.505 5.220 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.248 8.093 6.200 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.992 7.333 5.243 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.856 6.535 7.114 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.545 5.269 8.136 1.00 0.00 H new ATOM 510 N MET A 34 7.492 9.293 5.178 1.00 0.00 N ATOM 511 CA MET A 34 7.692 10.527 5.945 1.00 0.00 C ATOM 512 C MET A 34 8.048 11.690 5.053 1.00 0.00 C ATOM 513 O MET A 34 7.594 12.798 5.267 1.00 0.00 O ATOM 514 CB MET A 34 8.723 10.388 7.085 1.00 0.00 C ATOM 515 CG MET A 34 10.169 10.153 6.670 1.00 0.00 C ATOM 516 SD MET A 34 11.295 10.101 8.087 1.00 0.00 S ATOM 517 CE MET A 34 12.866 9.784 7.274 1.00 0.00 C ATOM 0 H MET A 34 8.190 8.566 5.338 1.00 0.00 H new ATOM 0 HA MET A 34 6.730 10.728 6.416 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.685 11.293 7.691 1.00 0.00 H new ATOM 0 HB3 MET A 34 8.414 9.562 7.726 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.238 9.214 6.120 1.00 0.00 H new ATOM 0 HG3 MET A 34 10.482 10.945 5.990 1.00 0.00 H new ATOM 0 HE1 MET A 34 13.284 8.847 7.642 1.00 0.00 H new ATOM 0 HE2 MET A 34 12.711 9.714 6.197 1.00 0.00 H new ATOM 0 HE3 MET A 34 13.558 10.599 7.489 1.00 0.00 H new ATOM 527 N HIS A 35 8.838 11.434 4.048 1.00 0.00 N ATOM 528 CA HIS A 35 9.239 12.478 3.128 1.00 0.00 C ATOM 529 C HIS A 35 8.147 12.914 2.166 1.00 0.00 C ATOM 530 O HIS A 35 8.140 14.059 1.734 1.00 0.00 O ATOM 531 CB HIS A 35 10.563 12.180 2.430 1.00 0.00 C ATOM 532 CG HIS A 35 11.750 12.590 3.253 1.00 0.00 C ATOM 533 ND1 HIS A 35 12.337 11.985 4.307 1.00 0.00 N flip ATOM 534 CD2 HIS A 35 12.454 13.759 3.052 1.00 0.00 C flip ATOM 535 CE1 HIS A 35 13.391 12.773 4.763 1.00 0.00 C flip ATOM 536 NE2 HIS A 35 13.413 13.830 3.964 1.00 0.00 N flip ATOM 0 H HIS A 35 9.221 10.512 3.839 1.00 0.00 H new ATOM 0 HA HIS A 35 9.416 13.349 3.758 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.625 11.113 2.215 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.591 12.701 1.473 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.257 14.491 2.283 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.051 12.566 5.593 1.00 0.00 H new ATOM 0 HE2 HIS A 35 14.080 14.597 4.041 1.00 0.00 H new ATOM 544 N LEU A 36 7.234 12.032 1.829 1.00 0.00 N ATOM 545 CA LEU A 36 6.102 12.429 0.999 1.00 0.00 C ATOM 546 C LEU A 36 5.056 13.156 1.827 1.00 0.00 C ATOM 547 O LEU A 36 4.265 13.912 1.303 1.00 0.00 O ATOM 548 CB LEU A 36 5.464 11.247 0.266 1.00 0.00 C ATOM 549 CG LEU A 36 6.335 10.561 -0.794 1.00 0.00 C ATOM 550 CD1 LEU A 36 5.613 9.375 -1.400 1.00 0.00 C ATOM 551 CD2 LEU A 36 6.762 11.538 -1.883 1.00 0.00 C ATOM 0 H LEU A 36 7.244 11.051 2.107 1.00 0.00 H new ATOM 0 HA LEU A 36 6.496 13.105 0.240 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.173 10.501 1.006 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.549 11.594 -0.214 1.00 0.00 H new ATOM 0 HG LEU A 36 7.235 10.201 -0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.250 8.905 -2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.379 8.653 -0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.689 9.713 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.378 11.018 -2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.878 11.945 -2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.336 12.351 -1.438 1.00 0.00 H new ATOM 563 N THR A 37 5.024 12.915 3.111 1.00 0.00 N ATOM 564 CA THR A 37 4.091 13.643 3.928 1.00 0.00 C ATOM 565 C THR A 37 4.714 14.949 4.459 1.00 0.00 C ATOM 566 O THR A 37 4.018 15.831 4.973 1.00 0.00 O ATOM 567 CB THR A 37 3.553 12.766 5.061 1.00 0.00 C ATOM 568 OG1 THR A 37 4.639 12.302 5.876 1.00 0.00 O ATOM 569 CG2 THR A 37 2.844 11.554 4.476 1.00 0.00 C ATOM 0 H THR A 37 5.613 12.242 3.602 1.00 0.00 H new ATOM 0 HA THR A 37 3.243 13.923 3.303 1.00 0.00 H new ATOM 0 HB THR A 37 2.860 13.356 5.661 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.309 11.631 6.510 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.462 10.931 5.284 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.015 11.884 3.850 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.546 10.977 3.874 1.00 0.00 H new ATOM 577 N SER A 38 6.020 15.057 4.317 1.00 0.00 N ATOM 578 CA SER A 38 6.764 16.221 4.738 1.00 0.00 C ATOM 579 C SER A 38 6.822 17.253 3.611 1.00 0.00 C ATOM 580 O SER A 38 6.890 16.900 2.423 1.00 0.00 O ATOM 581 CB SER A 38 8.195 15.807 5.146 1.00 0.00 C ATOM 582 OG SER A 38 8.970 16.911 5.602 1.00 0.00 O ATOM 0 H SER A 38 6.599 14.328 3.900 1.00 0.00 H new ATOM 0 HA SER A 38 6.260 16.668 5.595 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.142 15.054 5.932 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.693 15.344 4.294 1.00 0.00 H new ATOM 0 HG SER A 38 9.866 16.601 5.850 1.00 0.00 H new ATOM 588 N PHE A 39 6.789 18.514 3.973 1.00 0.00 N ATOM 589 CA PHE A 39 6.953 19.583 3.025 1.00 0.00 C ATOM 590 C PHE A 39 8.134 20.442 3.374 1.00 0.00 C ATOM 591 O PHE A 39 8.296 20.875 4.522 1.00 0.00 O ATOM 592 CB PHE A 39 5.693 20.426 2.855 1.00 0.00 C ATOM 593 CG PHE A 39 4.650 19.747 2.035 1.00 0.00 C ATOM 594 CD1 PHE A 39 4.750 19.750 0.653 1.00 0.00 C ATOM 595 CD2 PHE A 39 3.585 19.101 2.625 1.00 0.00 C ATOM 596 CE1 PHE A 39 3.808 19.123 -0.121 1.00 0.00 C ATOM 597 CE2 PHE A 39 2.639 18.473 1.853 1.00 0.00 C ATOM 598 CZ PHE A 39 2.753 18.485 0.476 1.00 0.00 C ATOM 0 H PHE A 39 6.647 18.825 4.934 1.00 0.00 H new ATOM 0 HA PHE A 39 7.143 19.112 2.061 1.00 0.00 H new ATOM 0 HB2 PHE A 39 5.282 20.659 3.837 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.956 21.374 2.387 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.580 20.253 0.180 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.494 19.089 3.701 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.897 19.132 -1.197 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.806 17.970 2.322 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.009 17.990 -0.131 1.00 0.00 H new ATOM 865 N HIS A 55 15.341 11.739 -1.175 1.00 0.00 N ATOM 866 CA HIS A 55 14.430 10.726 -0.701 1.00 0.00 C ATOM 867 C HIS A 55 14.156 9.646 -1.751 1.00 0.00 C ATOM 868 O HIS A 55 13.971 8.499 -1.411 1.00 0.00 O ATOM 869 CB HIS A 55 13.110 11.369 -0.168 1.00 0.00 C ATOM 870 CG HIS A 55 12.458 12.395 -1.090 1.00 0.00 C ATOM 871 ND1 HIS A 55 11.726 13.473 -0.658 1.00 0.00 N ATOM 872 CD2 HIS A 55 12.450 12.478 -2.434 1.00 0.00 C ATOM 873 CE1 HIS A 55 11.308 14.152 -1.724 1.00 0.00 C ATOM 874 NE2 HIS A 55 11.718 13.582 -2.834 1.00 0.00 N ATOM 0 HA HIS A 55 14.916 10.220 0.133 1.00 0.00 H new ATOM 0 HB2 HIS A 55 12.391 10.573 0.026 1.00 0.00 H new ATOM 0 HB3 HIS A 55 13.321 11.848 0.788 1.00 0.00 H new ATOM 0 HD2 HIS A 55 12.942 11.785 -3.101 1.00 0.00 H new ATOM 0 HE1 HIS A 55 10.711 15.051 -1.682 1.00 0.00 H new ATOM 0 HE2 HIS A 55 11.535 13.889 -3.790 1.00 0.00 H new ATOM 882 N LEU A 56 14.222 10.005 -3.021 1.00 0.00 N ATOM 883 CA LEU A 56 13.929 9.073 -4.087 1.00 0.00 C ATOM 884 C LEU A 56 15.139 8.248 -4.360 1.00 0.00 C ATOM 885 O LEU A 56 15.035 7.039 -4.513 1.00 0.00 O ATOM 886 CB LEU A 56 13.406 9.806 -5.358 1.00 0.00 C ATOM 887 CG LEU A 56 13.017 8.953 -6.613 1.00 0.00 C ATOM 888 CD1 LEU A 56 14.232 8.467 -7.409 1.00 0.00 C ATOM 889 CD2 LEU A 56 12.143 7.771 -6.216 1.00 0.00 C ATOM 0 H LEU A 56 14.478 10.941 -3.337 1.00 0.00 H new ATOM 0 HA LEU A 56 13.124 8.407 -3.776 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.530 10.386 -5.068 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.171 10.518 -5.667 1.00 0.00 H new ATOM 0 HG LEU A 56 12.452 9.616 -7.268 1.00 0.00 H new ATOM 0 HD11 LEU A 56 13.896 7.882 -8.265 1.00 0.00 H new ATOM 0 HD12 LEU A 56 14.805 9.326 -7.758 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.861 7.847 -6.770 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.886 7.194 -7.104 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.686 7.136 -5.515 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.231 8.135 -5.744 1.00 0.00 H new ATOM 901 N SER A 57 16.286 8.885 -4.377 1.00 0.00 N ATOM 902 CA SER A 57 17.535 8.205 -4.605 1.00 0.00 C ATOM 903 C SER A 57 17.764 7.150 -3.512 1.00 0.00 C ATOM 904 O SER A 57 18.342 6.095 -3.753 1.00 0.00 O ATOM 905 CB SER A 57 18.653 9.239 -4.643 1.00 0.00 C ATOM 906 OG SER A 57 18.329 10.259 -5.591 1.00 0.00 O ATOM 0 H SER A 57 16.378 9.891 -4.233 1.00 0.00 H new ATOM 0 HA SER A 57 17.517 7.680 -5.560 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.791 9.677 -3.655 1.00 0.00 H new ATOM 0 HB3 SER A 57 19.595 8.762 -4.914 1.00 0.00 H new ATOM 0 HG SER A 57 19.048 10.925 -5.614 1.00 0.00 H new ATOM 912 N LEU A 58 17.258 7.431 -2.332 1.00 0.00 N ATOM 913 CA LEU A 58 17.348 6.514 -1.223 1.00 0.00 C ATOM 914 C LEU A 58 16.249 5.456 -1.325 1.00 0.00 C ATOM 915 O LEU A 58 16.531 4.272 -1.349 1.00 0.00 O ATOM 916 CB LEU A 58 17.251 7.293 0.090 1.00 0.00 C ATOM 917 CG LEU A 58 18.254 8.462 0.185 1.00 0.00 C ATOM 918 CD1 LEU A 58 18.019 9.298 1.408 1.00 0.00 C ATOM 919 CD2 LEU A 58 19.685 7.956 0.172 1.00 0.00 C ATOM 0 H LEU A 58 16.773 8.302 -2.116 1.00 0.00 H new ATOM 0 HA LEU A 58 18.308 5.999 -1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 58 16.239 7.683 0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.421 6.610 0.922 1.00 0.00 H new ATOM 0 HG LEU A 58 18.094 9.090 -0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 58 18.745 10.110 1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 58 17.012 9.713 1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 58 18.129 8.679 2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 58 20.370 8.801 0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 58 19.843 7.291 1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 58 19.870 7.412 -0.754 1.00 0.00 H new ATOM 931 N CYS A 59 15.011 5.909 -1.459 1.00 0.00 N ATOM 932 CA CYS A 59 13.831 5.036 -1.513 1.00 0.00 C ATOM 933 C CYS A 59 13.912 4.042 -2.681 1.00 0.00 C ATOM 934 O CYS A 59 13.765 2.850 -2.471 1.00 0.00 O ATOM 935 CB CYS A 59 12.578 5.900 -1.615 1.00 0.00 C ATOM 936 SG CYS A 59 10.982 5.068 -1.402 1.00 0.00 S ATOM 0 H CYS A 59 14.788 6.901 -1.535 1.00 0.00 H new ATOM 0 HA CYS A 59 13.791 4.443 -0.600 1.00 0.00 H new ATOM 0 HB2 CYS A 59 12.650 6.690 -0.867 1.00 0.00 H new ATOM 0 HB3 CYS A 59 12.579 6.384 -2.592 1.00 0.00 H new ATOM 941 N CYS A 60 14.209 4.532 -3.902 1.00 0.00 N ATOM 942 CA CYS A 60 14.332 3.675 -5.102 1.00 0.00 C ATOM 943 C CYS A 60 15.411 2.614 -4.891 1.00 0.00 C ATOM 944 O CYS A 60 15.247 1.445 -5.259 1.00 0.00 O ATOM 945 CB CYS A 60 14.633 4.544 -6.356 1.00 0.00 C ATOM 946 SG CYS A 60 14.863 3.652 -7.955 1.00 0.00 S ATOM 0 H CYS A 60 14.369 5.523 -4.085 1.00 0.00 H new ATOM 0 HA CYS A 60 13.385 3.161 -5.267 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.817 5.256 -6.479 1.00 0.00 H new ATOM 0 HB3 CYS A 60 15.535 5.124 -6.158 1.00 0.00 H new ATOM 951 N ASN A 61 16.451 2.996 -4.188 1.00 0.00 N ATOM 952 CA ASN A 61 17.598 2.118 -3.969 1.00 0.00 C ATOM 953 C ASN A 61 17.327 1.151 -2.823 1.00 0.00 C ATOM 954 O ASN A 61 17.951 0.099 -2.700 1.00 0.00 O ATOM 955 CB ASN A 61 18.824 2.954 -3.665 1.00 0.00 C ATOM 956 CG ASN A 61 20.137 2.178 -3.652 1.00 0.00 C ATOM 957 OD1 ASN A 61 21.038 2.490 -2.879 1.00 0.00 O ATOM 958 ND2 ASN A 61 20.284 1.223 -4.536 1.00 0.00 N ATOM 0 H ASN A 61 16.535 3.914 -3.751 1.00 0.00 H new ATOM 0 HA ASN A 61 17.771 1.534 -4.873 1.00 0.00 H new ATOM 0 HB2 ASN A 61 18.896 3.751 -4.405 1.00 0.00 H new ATOM 0 HB3 ASN A 61 18.690 3.431 -2.694 1.00 0.00 H new ATOM 0 HD21 ASN A 61 21.166 0.715 -4.596 1.00 0.00 H new ATOM 0 HD22 ASN A 61 19.516 0.987 -5.165 1.00 0.00 H new ATOM 965 N GLN A 62 16.441 1.532 -1.968 1.00 0.00 N ATOM 966 CA GLN A 62 16.071 0.717 -0.848 1.00 0.00 C ATOM 967 C GLN A 62 14.962 -0.269 -1.209 1.00 0.00 C ATOM 968 O GLN A 62 14.977 -1.429 -0.778 1.00 0.00 O ATOM 969 CB GLN A 62 15.706 1.600 0.325 1.00 0.00 C ATOM 970 CG GLN A 62 15.322 0.866 1.576 1.00 0.00 C ATOM 971 CD GLN A 62 15.047 1.815 2.715 1.00 0.00 C ATOM 972 OE1 GLN A 62 14.615 2.944 2.509 1.00 0.00 O ATOM 973 NE2 GLN A 62 15.300 1.381 3.916 1.00 0.00 N ATOM 0 H GLN A 62 15.946 2.422 -2.021 1.00 0.00 H new ATOM 0 HA GLN A 62 16.926 0.107 -0.556 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.552 2.250 0.548 1.00 0.00 H new ATOM 0 HB3 GLN A 62 14.878 2.245 0.031 1.00 0.00 H new ATOM 0 HG2 GLN A 62 14.437 0.260 1.385 1.00 0.00 H new ATOM 0 HG3 GLN A 62 16.123 0.182 1.857 1.00 0.00 H new ATOM 0 HE21 GLN A 62 15.659 0.436 4.052 1.00 0.00 H new ATOM 0 HE22 GLN A 62 15.139 1.986 4.721 1.00 0.00 H new ATOM 982 N LEU A 63 14.024 0.180 -2.012 1.00 0.00 N ATOM 983 CA LEU A 63 12.913 -0.651 -2.429 1.00 0.00 C ATOM 984 C LEU A 63 13.407 -1.747 -3.346 1.00 0.00 C ATOM 985 O LEU A 63 12.881 -2.841 -3.356 1.00 0.00 O ATOM 986 CB LEU A 63 11.813 0.202 -3.112 1.00 0.00 C ATOM 987 CG LEU A 63 12.147 0.825 -4.467 1.00 0.00 C ATOM 988 CD1 LEU A 63 11.890 -0.123 -5.598 1.00 0.00 C ATOM 989 CD2 LEU A 63 11.395 2.093 -4.667 1.00 0.00 C ATOM 0 H LEU A 63 14.008 1.126 -2.394 1.00 0.00 H new ATOM 0 HA LEU A 63 12.467 -1.114 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.930 -0.425 -3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.538 1.006 -2.430 1.00 0.00 H new ATOM 0 HG LEU A 63 13.214 1.049 -4.464 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.141 0.361 -6.542 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.505 -1.014 -5.472 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.837 -0.406 -5.604 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.649 2.518 -5.638 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.325 1.891 -4.628 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.659 2.801 -3.881 1.00 0.00 H new ATOM 1001 N GLN A 64 14.439 -1.433 -4.109 1.00 0.00 N ATOM 1002 CA GLN A 64 15.010 -2.365 -5.060 1.00 0.00 C ATOM 1003 C GLN A 64 15.714 -3.540 -4.360 1.00 0.00 C ATOM 1004 O GLN A 64 16.106 -4.512 -5.011 1.00 0.00 O ATOM 1005 CB GLN A 64 15.977 -1.656 -5.991 1.00 0.00 C ATOM 1006 CG GLN A 64 17.259 -1.270 -5.322 1.00 0.00 C ATOM 1007 CD GLN A 64 18.316 -0.819 -6.282 1.00 0.00 C ATOM 1008 OE1 GLN A 64 18.429 0.356 -6.587 1.00 0.00 O ATOM 1009 NE2 GLN A 64 19.097 -1.742 -6.763 1.00 0.00 N ATOM 0 H GLN A 64 14.903 -0.525 -4.085 1.00 0.00 H new ATOM 0 HA GLN A 64 14.186 -2.772 -5.646 1.00 0.00 H new ATOM 0 HB2 GLN A 64 16.197 -2.305 -6.839 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.498 -0.762 -6.390 1.00 0.00 H new ATOM 0 HG2 GLN A 64 17.062 -0.471 -4.608 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.634 -2.121 -4.753 1.00 0.00 H new ATOM 0 HE21 GLN A 64 18.970 -2.714 -6.483 1.00 0.00 H new ATOM 0 HE22 GLN A 64 19.836 -1.493 -7.420 1.00 0.00 H new ATOM 1018 N GLU A 65 15.890 -3.434 -3.033 1.00 0.00 N ATOM 1019 CA GLU A 65 16.490 -4.508 -2.256 1.00 0.00 C ATOM 1020 C GLU A 65 15.458 -5.604 -2.036 1.00 0.00 C ATOM 1021 O GLU A 65 15.784 -6.729 -1.630 1.00 0.00 O ATOM 1022 CB GLU A 65 17.015 -4.005 -0.913 1.00 0.00 C ATOM 1023 CG GLU A 65 17.992 -2.850 -1.022 1.00 0.00 C ATOM 1024 CD GLU A 65 18.657 -2.519 0.291 1.00 0.00 C ATOM 1025 OE1 GLU A 65 19.907 -2.489 0.338 1.00 0.00 O ATOM 1026 OE2 GLU A 65 17.965 -2.317 1.308 1.00 0.00 O ATOM 0 H GLU A 65 15.624 -2.615 -2.486 1.00 0.00 H new ATOM 0 HA GLU A 65 17.340 -4.903 -2.813 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.170 -3.695 -0.298 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.502 -4.830 -0.393 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.756 -3.095 -1.759 1.00 0.00 H new ATOM 0 HG3 GLU A 65 17.466 -1.969 -1.390 1.00 0.00 H new ATOM 1033 N VAL A 66 14.216 -5.253 -2.278 1.00 0.00 N ATOM 1034 CA VAL A 66 13.103 -6.193 -2.233 1.00 0.00 C ATOM 1035 C VAL A 66 13.008 -6.849 -3.623 1.00 0.00 C ATOM 1036 O VAL A 66 13.626 -6.353 -4.570 1.00 0.00 O ATOM 1037 CB VAL A 66 11.759 -5.449 -1.930 1.00 0.00 C ATOM 1038 CG1 VAL A 66 10.639 -6.408 -1.571 1.00 0.00 C ATOM 1039 CG2 VAL A 66 11.937 -4.418 -0.842 1.00 0.00 C ATOM 0 H VAL A 66 13.940 -4.300 -2.514 1.00 0.00 H new ATOM 0 HA VAL A 66 13.269 -6.930 -1.447 1.00 0.00 H new ATOM 0 HB VAL A 66 11.472 -4.939 -2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.728 -5.844 -1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.466 -7.093 -2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.917 -6.977 -0.684 1.00 0.00 H new ATOM 0 HG21 VAL A 66 10.986 -3.919 -0.655 1.00 0.00 H new ATOM 0 HG22 VAL A 66 12.276 -4.907 0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.678 -3.682 -1.156 1.00 0.00 H new ATOM 1049 N GLU A 67 12.297 -7.973 -3.729 1.00 0.00 N ATOM 1050 CA GLU A 67 12.046 -8.648 -5.023 1.00 0.00 C ATOM 1051 C GLU A 67 11.544 -7.661 -6.051 1.00 0.00 C ATOM 1052 O GLU A 67 10.737 -6.803 -5.717 1.00 0.00 O ATOM 1053 CB GLU A 67 10.983 -9.703 -4.858 1.00 0.00 C ATOM 1054 CG GLU A 67 11.422 -10.933 -4.145 1.00 0.00 C ATOM 1055 CD GLU A 67 10.290 -11.915 -4.010 1.00 0.00 C ATOM 1056 OE1 GLU A 67 9.599 -11.908 -2.976 1.00 0.00 O ATOM 1057 OE2 GLU A 67 10.053 -12.706 -4.952 1.00 0.00 O ATOM 0 H GLU A 67 11.877 -8.447 -2.929 1.00 0.00 H new ATOM 0 HA GLU A 67 12.986 -9.091 -5.351 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.142 -9.268 -4.317 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.616 -9.985 -5.845 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.247 -11.396 -4.687 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.798 -10.669 -3.157 1.00 0.00 H new ATOM 1064 N LYS A 68 11.957 -7.823 -7.301 1.00 0.00 N ATOM 1065 CA LYS A 68 11.602 -6.870 -8.360 1.00 0.00 C ATOM 1066 C LYS A 68 10.101 -6.755 -8.556 1.00 0.00 C ATOM 1067 O LYS A 68 9.580 -5.673 -8.837 1.00 0.00 O ATOM 1068 CB LYS A 68 12.313 -7.155 -9.691 1.00 0.00 C ATOM 1069 CG LYS A 68 12.078 -8.517 -10.296 1.00 0.00 C ATOM 1070 CD LYS A 68 12.767 -8.624 -11.642 1.00 0.00 C ATOM 1071 CE LYS A 68 14.287 -8.553 -11.541 1.00 0.00 C ATOM 1072 NZ LYS A 68 14.845 -9.634 -10.710 1.00 0.00 N ATOM 0 H LYS A 68 12.537 -8.602 -7.612 1.00 0.00 H new ATOM 0 HA LYS A 68 11.964 -5.903 -8.010 1.00 0.00 H new ATOM 0 HB2 LYS A 68 12.001 -6.401 -10.414 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.385 -7.028 -9.540 1.00 0.00 H new ATOM 0 HG2 LYS A 68 12.454 -9.290 -9.625 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.008 -8.690 -10.413 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.483 -9.564 -12.115 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.414 -7.822 -12.290 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.718 -8.607 -12.541 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.576 -7.589 -11.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 15.877 -9.669 -10.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 14.622 -9.454 -9.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 14.431 -10.543 -10.999 1.00 0.00 H new ATOM 1086 N GLN A 69 9.407 -7.852 -8.332 1.00 0.00 N ATOM 1087 CA GLN A 69 7.958 -7.886 -8.466 1.00 0.00 C ATOM 1088 C GLN A 69 7.306 -7.135 -7.298 1.00 0.00 C ATOM 1089 O GLN A 69 6.215 -6.612 -7.407 1.00 0.00 O ATOM 1090 CB GLN A 69 7.446 -9.340 -8.501 1.00 0.00 C ATOM 1091 CG GLN A 69 7.732 -10.139 -7.230 1.00 0.00 C ATOM 1092 CD GLN A 69 7.079 -11.504 -7.219 1.00 0.00 C ATOM 1093 OE1 GLN A 69 6.039 -11.714 -7.835 1.00 0.00 O ATOM 1094 NE2 GLN A 69 7.653 -12.431 -6.495 1.00 0.00 N ATOM 0 H GLN A 69 9.824 -8.741 -8.054 1.00 0.00 H new ATOM 0 HA GLN A 69 7.689 -7.400 -9.404 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.370 -9.330 -8.675 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.901 -9.853 -9.348 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.810 -10.259 -7.120 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.385 -9.571 -6.367 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.518 -12.225 -5.995 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.236 -13.360 -6.431 1.00 0.00 H new ATOM 1103 N CYS A 70 8.029 -7.046 -6.205 1.00 0.00 N ATOM 1104 CA CYS A 70 7.531 -6.476 -4.988 1.00 0.00 C ATOM 1105 C CYS A 70 8.017 -5.046 -4.816 1.00 0.00 C ATOM 1106 O CYS A 70 7.557 -4.330 -3.930 1.00 0.00 O ATOM 1107 CB CYS A 70 7.988 -7.331 -3.823 1.00 0.00 C ATOM 1108 SG CYS A 70 7.528 -9.093 -3.968 1.00 0.00 S ATOM 0 H CYS A 70 8.993 -7.374 -6.142 1.00 0.00 H new ATOM 0 HA CYS A 70 6.442 -6.452 -5.025 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.072 -7.255 -3.733 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.563 -6.930 -2.903 1.00 0.00 H new ATOM 1113 N GLN A 71 8.936 -4.633 -5.672 1.00 0.00 N ATOM 1114 CA GLN A 71 9.487 -3.289 -5.644 1.00 0.00 C ATOM 1115 C GLN A 71 8.400 -2.252 -5.882 1.00 0.00 C ATOM 1116 O GLN A 71 8.368 -1.218 -5.236 1.00 0.00 O ATOM 1117 CB GLN A 71 10.607 -3.152 -6.671 1.00 0.00 C ATOM 1118 CG GLN A 71 11.854 -3.960 -6.328 1.00 0.00 C ATOM 1119 CD GLN A 71 12.992 -3.795 -7.328 1.00 0.00 C ATOM 1120 OE1 GLN A 71 13.132 -2.623 -7.875 1.00 0.00 O flip ATOM 1121 NE2 GLN A 71 13.780 -4.713 -7.565 1.00 0.00 N flip ATOM 0 H GLN A 71 9.322 -5.223 -6.409 1.00 0.00 H new ATOM 0 HA GLN A 71 9.907 -3.110 -4.654 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.236 -3.469 -7.645 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.879 -2.100 -6.761 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.206 -3.664 -5.340 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.586 -5.015 -6.268 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.650 -5.624 -7.124 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.562 -4.562 -8.202 1.00 0.00 H new ATOM 1130 N CYS A 72 7.482 -2.548 -6.779 1.00 0.00 N ATOM 1131 CA CYS A 72 6.386 -1.639 -7.028 1.00 0.00 C ATOM 1132 C CYS A 72 5.272 -1.828 -6.038 1.00 0.00 C ATOM 1133 O CYS A 72 4.491 -0.910 -5.777 1.00 0.00 O ATOM 1134 CB CYS A 72 5.886 -1.734 -8.443 1.00 0.00 C ATOM 1135 SG CYS A 72 5.475 -3.398 -9.018 1.00 0.00 S ATOM 0 H CYS A 72 7.473 -3.400 -7.340 1.00 0.00 H new ATOM 0 HA CYS A 72 6.776 -0.630 -6.893 1.00 0.00 H new ATOM 0 HB2 CYS A 72 5.000 -1.107 -8.539 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.644 -1.317 -9.106 1.00 0.00 H new ATOM 1140 N GLU A 73 5.203 -3.009 -5.465 1.00 0.00 N ATOM 1141 CA GLU A 73 4.197 -3.314 -4.470 1.00 0.00 C ATOM 1142 C GLU A 73 4.459 -2.450 -3.218 1.00 0.00 C ATOM 1143 O GLU A 73 3.529 -1.969 -2.538 1.00 0.00 O ATOM 1144 CB GLU A 73 4.253 -4.798 -4.088 1.00 0.00 C ATOM 1145 CG GLU A 73 4.049 -5.786 -5.235 1.00 0.00 C ATOM 1146 CD GLU A 73 2.654 -5.822 -5.774 1.00 0.00 C ATOM 1147 OE1 GLU A 73 2.283 -4.901 -6.527 1.00 0.00 O ATOM 1148 OE2 GLU A 73 1.915 -6.802 -5.489 1.00 0.00 O ATOM 0 H GLU A 73 5.837 -3.780 -5.673 1.00 0.00 H new ATOM 0 HA GLU A 73 3.210 -3.098 -4.878 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.220 -4.999 -3.627 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.493 -4.988 -3.330 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.733 -5.531 -6.045 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.320 -6.785 -4.892 1.00 0.00 H new ATOM 1155 N ALA A 74 5.746 -2.224 -2.972 1.00 0.00 N ATOM 1156 CA ALA A 74 6.244 -1.448 -1.867 1.00 0.00 C ATOM 1157 C ALA A 74 5.745 -0.026 -1.946 1.00 0.00 C ATOM 1158 O ALA A 74 5.478 0.606 -0.935 1.00 0.00 O ATOM 1159 CB ALA A 74 7.771 -1.458 -1.888 1.00 0.00 C ATOM 0 H ALA A 74 6.489 -2.595 -3.565 1.00 0.00 H new ATOM 0 HA ALA A 74 5.884 -1.890 -0.938 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.150 -0.871 -1.052 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.129 -2.484 -1.803 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.125 -1.027 -2.824 1.00 0.00 H new ATOM 1165 N ILE A 75 5.556 0.440 -3.167 1.00 0.00 N ATOM 1166 CA ILE A 75 5.155 1.803 -3.420 1.00 0.00 C ATOM 1167 C ILE A 75 3.729 2.006 -2.963 1.00 0.00 C ATOM 1168 O ILE A 75 3.362 3.065 -2.458 1.00 0.00 O ATOM 1169 CB ILE A 75 5.233 2.148 -4.918 1.00 0.00 C ATOM 1170 CG1 ILE A 75 6.585 1.747 -5.516 1.00 0.00 C ATOM 1171 CG2 ILE A 75 4.984 3.619 -5.119 1.00 0.00 C ATOM 1172 CD1 ILE A 75 7.786 2.331 -4.820 1.00 0.00 C ATOM 0 H ILE A 75 5.678 -0.121 -4.010 1.00 0.00 H new ATOM 0 HA ILE A 75 5.837 2.452 -2.871 1.00 0.00 H new ATOM 0 HB ILE A 75 4.462 1.580 -5.438 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.666 0.660 -5.497 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.607 2.050 -6.563 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.041 3.856 -6.181 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.994 3.875 -4.743 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.737 4.193 -4.579 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.695 1.990 -5.315 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.737 3.419 -4.861 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.797 2.007 -3.779 1.00 0.00 H new ATOM 1184 N LYS A 76 2.944 0.963 -3.099 1.00 0.00 N ATOM 1185 CA LYS A 76 1.561 1.013 -2.731 1.00 0.00 C ATOM 1186 C LYS A 76 1.461 1.147 -1.253 1.00 0.00 C ATOM 1187 O LYS A 76 0.682 1.961 -0.743 1.00 0.00 O ATOM 1188 CB LYS A 76 0.842 -0.241 -3.179 1.00 0.00 C ATOM 1189 CG LYS A 76 0.896 -0.480 -4.666 1.00 0.00 C ATOM 1190 CD LYS A 76 0.349 0.715 -5.424 1.00 0.00 C ATOM 1191 CE LYS A 76 -0.013 0.350 -6.842 1.00 0.00 C ATOM 1192 NZ LYS A 76 -1.070 -0.684 -6.868 1.00 0.00 N ATOM 0 H LYS A 76 3.251 0.062 -3.467 1.00 0.00 H new ATOM 0 HA LYS A 76 1.093 1.868 -3.218 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.277 -1.099 -2.667 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.201 -0.180 -2.869 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.925 -0.670 -4.971 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.320 -1.370 -4.917 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.531 1.101 -4.910 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.091 1.514 -5.431 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.354 1.238 -7.374 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.871 -0.015 -7.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.626 -0.590 -7.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.634 -1.627 -6.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.695 -0.562 -6.046 1.00 0.00 H new ATOM 1206 N GLN A 77 2.321 0.400 -0.573 1.00 0.00 N ATOM 1207 CA GLN A 77 2.359 0.393 0.878 1.00 0.00 C ATOM 1208 C GLN A 77 2.679 1.772 1.396 1.00 0.00 C ATOM 1209 O GLN A 77 2.127 2.192 2.410 1.00 0.00 O ATOM 1210 CB GLN A 77 3.382 -0.594 1.410 1.00 0.00 C ATOM 1211 CG GLN A 77 3.329 -1.941 0.725 1.00 0.00 C ATOM 1212 CD GLN A 77 3.626 -3.092 1.646 1.00 0.00 C ATOM 1213 OE1 GLN A 77 4.369 -2.971 2.616 1.00 0.00 O ATOM 1214 NE2 GLN A 77 3.046 -4.220 1.354 1.00 0.00 N ATOM 0 H GLN A 77 3.007 -0.214 -1.012 1.00 0.00 H new ATOM 0 HA GLN A 77 1.374 0.085 1.228 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.380 -0.172 1.289 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.221 -0.732 2.479 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.340 -2.080 0.289 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.044 -1.950 -0.098 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.435 -4.283 0.540 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.203 -5.041 1.939 1.00 0.00 H new ATOM 1223 N VAL A 78 3.555 2.492 0.665 1.00 0.00 N ATOM 1224 CA VAL A 78 3.923 3.858 1.034 1.00 0.00 C ATOM 1225 C VAL A 78 2.674 4.699 1.089 1.00 0.00 C ATOM 1226 O VAL A 78 2.445 5.416 2.047 1.00 0.00 O ATOM 1227 CB VAL A 78 4.858 4.561 0.014 1.00 0.00 C ATOM 1228 CG1 VAL A 78 5.324 5.890 0.556 1.00 0.00 C ATOM 1229 CG2 VAL A 78 6.029 3.716 -0.368 1.00 0.00 C ATOM 0 H VAL A 78 4.014 2.145 -0.178 1.00 0.00 H new ATOM 0 HA VAL A 78 4.445 3.774 1.987 1.00 0.00 H new ATOM 0 HB VAL A 78 4.274 4.725 -0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.979 6.370 -0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.461 6.529 0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.869 5.732 1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.650 4.256 -1.083 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.616 3.485 0.521 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.677 2.789 -0.821 1.00 0.00 H new ATOM 1239 N VAL A 79 1.850 4.560 0.059 1.00 0.00 N ATOM 1240 CA VAL A 79 0.643 5.344 -0.066 1.00 0.00 C ATOM 1241 C VAL A 79 -0.278 5.033 1.090 1.00 0.00 C ATOM 1242 O VAL A 79 -0.786 5.939 1.745 1.00 0.00 O ATOM 1243 CB VAL A 79 -0.103 5.045 -1.393 1.00 0.00 C ATOM 1244 CG1 VAL A 79 -1.323 5.947 -1.548 1.00 0.00 C ATOM 1245 CG2 VAL A 79 0.830 5.182 -2.587 1.00 0.00 C ATOM 0 H VAL A 79 2.004 3.903 -0.706 1.00 0.00 H new ATOM 0 HA VAL A 79 0.928 6.396 -0.062 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.450 4.012 -1.356 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.828 5.717 -2.486 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.008 5.779 -0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.006 6.990 -1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.281 4.967 -3.504 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.221 6.198 -2.628 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.657 4.479 -2.485 1.00 0.00 H new ATOM 1255 N GLU A 80 -0.418 3.745 1.369 1.00 0.00 N ATOM 1256 CA GLU A 80 -1.297 3.256 2.412 1.00 0.00 C ATOM 1257 C GLU A 80 -0.935 3.850 3.758 1.00 0.00 C ATOM 1258 O GLU A 80 -1.775 4.449 4.423 1.00 0.00 O ATOM 1259 CB GLU A 80 -1.243 1.732 2.500 1.00 0.00 C ATOM 1260 CG GLU A 80 -1.553 1.031 1.200 1.00 0.00 C ATOM 1261 CD GLU A 80 -1.660 -0.458 1.357 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -2.790 -0.966 1.575 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -0.645 -1.153 1.279 1.00 0.00 O ATOM 0 H GLU A 80 0.081 3.007 0.872 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.310 3.564 2.152 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.250 1.433 2.835 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.950 1.397 3.259 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.489 1.418 0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.774 1.261 0.473 1.00 0.00 H new ATOM 1270 N GLN A 81 0.318 3.736 4.116 1.00 0.00 N ATOM 1271 CA GLN A 81 0.776 4.179 5.413 1.00 0.00 C ATOM 1272 C GLN A 81 0.880 5.715 5.498 1.00 0.00 C ATOM 1273 O GLN A 81 0.623 6.304 6.553 1.00 0.00 O ATOM 1274 CB GLN A 81 2.097 3.484 5.775 1.00 0.00 C ATOM 1275 CG GLN A 81 3.255 3.773 4.818 1.00 0.00 C ATOM 1276 CD GLN A 81 4.499 2.945 5.098 1.00 0.00 C ATOM 1277 OE1 GLN A 81 5.615 3.393 4.884 1.00 0.00 O ATOM 1278 NE2 GLN A 81 4.323 1.723 5.512 1.00 0.00 N ATOM 0 H GLN A 81 1.047 3.337 3.524 1.00 0.00 H new ATOM 0 HA GLN A 81 0.031 3.889 6.154 1.00 0.00 H new ATOM 0 HB2 GLN A 81 2.389 3.790 6.780 1.00 0.00 H new ATOM 0 HB3 GLN A 81 1.929 2.407 5.806 1.00 0.00 H new ATOM 0 HG2 GLN A 81 2.926 3.585 3.796 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.511 4.831 4.880 1.00 0.00 H new ATOM 0 HE21 GLN A 81 3.380 1.373 5.683 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.128 1.115 5.665 1.00 0.00 H new ATOM 1287 N ALA A 82 1.195 6.359 4.392 1.00 0.00 N ATOM 1288 CA ALA A 82 1.361 7.803 4.386 1.00 0.00 C ATOM 1289 C ALA A 82 0.026 8.531 4.423 1.00 0.00 C ATOM 1290 O ALA A 82 -0.116 9.553 5.102 1.00 0.00 O ATOM 1291 CB ALA A 82 2.180 8.257 3.188 1.00 0.00 C ATOM 0 H ALA A 82 1.341 5.910 3.488 1.00 0.00 H new ATOM 0 HA ALA A 82 1.904 8.062 5.295 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.287 9.341 3.211 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.166 7.794 3.225 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.675 7.961 2.269 1.00 0.00 H new ATOM 1297 N GLN A 83 -0.967 7.999 3.740 1.00 0.00 N ATOM 1298 CA GLN A 83 -2.255 8.662 3.692 1.00 0.00 C ATOM 1299 C GLN A 83 -2.963 8.494 5.023 1.00 0.00 C ATOM 1300 O GLN A 83 -3.643 9.397 5.495 1.00 0.00 O ATOM 1301 CB GLN A 83 -3.133 8.129 2.537 1.00 0.00 C ATOM 1302 CG GLN A 83 -3.639 6.705 2.728 1.00 0.00 C ATOM 1303 CD GLN A 83 -4.410 6.173 1.548 1.00 0.00 C ATOM 1304 OE1 GLN A 83 -4.404 4.884 1.397 1.00 0.00 O flip ATOM 1305 NE2 GLN A 83 -5.041 6.919 0.797 1.00 0.00 N flip ATOM 0 H GLN A 83 -0.910 7.124 3.218 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.085 9.722 3.502 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -3.990 8.791 2.415 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.559 8.175 1.611 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.790 6.050 2.921 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.276 6.671 3.612 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.022 7.928 0.946 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -5.582 6.528 0.026 1.00 0.00 H new ATOM 1314 N LYS A 84 -2.728 7.359 5.664 1.00 0.00 N ATOM 1315 CA LYS A 84 -3.399 7.037 6.887 1.00 0.00 C ATOM 1316 C LYS A 84 -2.810 7.831 8.046 1.00 0.00 C ATOM 1317 O LYS A 84 -3.524 8.226 8.964 1.00 0.00 O ATOM 1318 CB LYS A 84 -3.398 5.496 7.129 1.00 0.00 C ATOM 1319 CG LYS A 84 -2.055 4.850 7.504 1.00 0.00 C ATOM 1320 CD LYS A 84 -1.716 5.013 8.970 1.00 0.00 C ATOM 1321 CE LYS A 84 -2.680 4.246 9.853 1.00 0.00 C ATOM 1322 NZ LYS A 84 -2.404 4.437 11.276 1.00 0.00 N ATOM 0 H LYS A 84 -2.070 6.649 5.344 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.445 7.333 6.812 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.113 5.277 7.923 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.767 5.011 6.225 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.086 3.788 7.259 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.263 5.293 6.901 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.699 4.663 9.150 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.741 6.070 9.235 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -3.699 4.566 9.637 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.622 3.184 9.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.998 3.791 11.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.401 4.236 11.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.616 5.420 11.542 1.00 0.00 H new ATOM 1336 N GLN A 85 -1.504 8.116 7.976 1.00 0.00 N ATOM 1337 CA GLN A 85 -0.845 8.837 9.051 1.00 0.00 C ATOM 1338 C GLN A 85 -1.281 10.297 9.052 1.00 0.00 C ATOM 1339 O GLN A 85 -1.286 10.959 10.085 1.00 0.00 O ATOM 1340 CB GLN A 85 0.684 8.701 8.999 1.00 0.00 C ATOM 1341 CG GLN A 85 1.376 9.416 7.856 1.00 0.00 C ATOM 1342 CD GLN A 85 2.893 9.453 8.004 1.00 0.00 C ATOM 1343 OE1 GLN A 85 3.551 10.366 7.522 1.00 0.00 O ATOM 1344 NE2 GLN A 85 3.450 8.501 8.691 1.00 0.00 N ATOM 0 H GLN A 85 -0.898 7.860 7.196 1.00 0.00 H new ATOM 0 HA GLN A 85 -1.156 8.383 9.992 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.094 9.075 9.937 1.00 0.00 H new ATOM 0 HB3 GLN A 85 0.933 7.641 8.942 1.00 0.00 H new ATOM 0 HG2 GLN A 85 1.120 8.922 6.919 1.00 0.00 H new ATOM 0 HG3 GLN A 85 0.998 10.436 7.792 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.878 7.752 9.082 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.459 8.503 8.840 1.00 0.00 H new ATOM 1353 N LEU A 86 -1.649 10.784 7.896 1.00 0.00 N ATOM 1354 CA LEU A 86 -2.199 12.122 7.780 1.00 0.00 C ATOM 1355 C LEU A 86 -3.689 12.126 8.080 1.00 0.00 C ATOM 1356 O LEU A 86 -4.203 13.054 8.703 1.00 0.00 O ATOM 1357 CB LEU A 86 -1.872 12.733 6.410 1.00 0.00 C ATOM 1358 CG LEU A 86 -0.589 13.566 6.333 1.00 0.00 C ATOM 1359 CD1 LEU A 86 -0.773 14.865 7.073 1.00 0.00 C ATOM 1360 CD2 LEU A 86 0.593 12.829 6.917 1.00 0.00 C ATOM 0 H LEU A 86 -1.580 10.277 7.014 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.726 12.757 8.529 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.801 11.925 5.682 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.709 13.362 6.106 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.388 13.758 5.279 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.144 15.451 7.013 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.592 15.427 6.624 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.004 14.659 8.118 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.484 13.453 6.843 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.397 12.599 7.964 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.753 11.903 6.365 1.00 0.00 H new ATOM 1372 N GLN A 87 -4.358 11.051 7.687 1.00 0.00 N ATOM 1373 CA GLN A 87 -5.792 10.861 7.919 1.00 0.00 C ATOM 1374 C GLN A 87 -6.127 10.857 9.414 1.00 0.00 C ATOM 1375 O GLN A 87 -7.181 11.339 9.832 1.00 0.00 O ATOM 1376 CB GLN A 87 -6.243 9.558 7.254 1.00 0.00 C ATOM 1377 CG GLN A 87 -7.697 9.188 7.453 1.00 0.00 C ATOM 1378 CD GLN A 87 -8.067 7.954 6.671 1.00 0.00 C ATOM 1379 OE1 GLN A 87 -8.508 8.044 5.524 1.00 0.00 O ATOM 1380 NE2 GLN A 87 -7.856 6.805 7.247 1.00 0.00 N ATOM 0 H GLN A 87 -3.920 10.274 7.192 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.331 11.699 7.476 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.049 9.632 6.184 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.625 8.745 7.634 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.888 9.019 8.513 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.330 10.019 7.143 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -7.490 6.771 8.198 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.057 5.939 6.747 1.00 0.00 H new ATOM 1389 N GLN A 88 -5.217 10.348 10.210 1.00 0.00 N ATOM 1390 CA GLN A 88 -5.403 10.269 11.657 1.00 0.00 C ATOM 1391 C GLN A 88 -4.956 11.553 12.344 1.00 0.00 C ATOM 1392 O GLN A 88 -5.059 11.695 13.566 1.00 0.00 O ATOM 1393 CB GLN A 88 -4.613 9.099 12.206 1.00 0.00 C ATOM 1394 CG GLN A 88 -3.111 9.223 12.018 1.00 0.00 C ATOM 1395 CD GLN A 88 -2.344 7.993 12.444 1.00 0.00 C ATOM 1396 OE1 GLN A 88 -2.845 6.872 12.377 1.00 0.00 O ATOM 1397 NE2 GLN A 88 -1.128 8.181 12.866 1.00 0.00 N ATOM 0 H GLN A 88 -4.326 9.975 9.883 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.465 10.129 11.856 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -4.828 8.996 13.270 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.955 8.184 11.722 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.900 9.427 10.968 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.752 10.080 12.587 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.743 9.125 12.909 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.559 7.385 13.154 1.00 0.00 H new ATOM 1406 N GLY A 89 -4.467 12.471 11.565 1.00 0.00 N ATOM 1407 CA GLY A 89 -3.964 13.691 12.088 1.00 0.00 C ATOM 1408 C GLY A 89 -4.976 14.808 12.056 1.00 0.00 C ATOM 1409 O GLY A 89 -6.183 14.597 12.218 1.00 0.00 O ATOM 0 H GLY A 89 -4.409 12.389 10.550 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.639 13.532 13.116 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.084 13.989 11.518 1.00 0.00 H new ATOM 1413 N GLN A 90 -4.489 15.968 11.823 1.00 0.00 N ATOM 1414 CA GLN A 90 -5.284 17.186 11.863 1.00 0.00 C ATOM 1415 C GLN A 90 -5.672 17.628 10.468 1.00 0.00 C ATOM 1416 O GLN A 90 -6.804 18.070 10.219 1.00 0.00 O ATOM 1417 CB GLN A 90 -4.483 18.284 12.552 1.00 0.00 C ATOM 1418 CG GLN A 90 -4.193 18.012 14.018 1.00 0.00 C ATOM 1419 CD GLN A 90 -5.437 18.065 14.867 1.00 0.00 C ATOM 1420 OE1 GLN A 90 -5.804 19.124 15.370 1.00 0.00 O ATOM 1421 NE2 GLN A 90 -6.091 16.949 15.040 1.00 0.00 N ATOM 0 H GLN A 90 -3.508 16.126 11.592 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.200 16.989 12.421 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.539 18.416 12.024 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -5.029 19.224 12.469 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.729 17.031 14.118 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.474 18.744 14.386 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.756 16.089 14.606 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -6.938 16.937 15.609 1.00 0.00 H new ATOM 1430 N GLY A 91 -4.747 17.522 9.583 1.00 0.00 N ATOM 1431 CA GLY A 91 -4.951 17.897 8.231 1.00 0.00 C ATOM 1432 C GLY A 91 -3.706 17.663 7.477 1.00 0.00 C ATOM 1433 O GLY A 91 -2.732 17.166 8.054 1.00 0.00 O ATOM 0 H GLY A 91 -3.812 17.166 9.781 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -5.768 17.319 7.799 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.237 18.947 8.170 1.00 0.00 H new ATOM 1437 N GLY A 92 -3.700 18.013 6.234 1.00 0.00 N ATOM 1438 CA GLY A 92 -2.571 17.779 5.426 1.00 0.00 C ATOM 1439 C GLY A 92 -2.904 16.895 4.276 1.00 0.00 C ATOM 1440 O GLY A 92 -2.281 16.993 3.257 1.00 0.00 O ATOM 0 H GLY A 92 -4.480 18.468 5.759 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.182 18.728 5.057 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.782 17.321 6.023 1.00 0.00 H new ATOM 1444 N GLN A 93 -3.938 16.078 4.425 1.00 0.00 N ATOM 1445 CA GLN A 93 -4.384 15.112 3.394 1.00 0.00 C ATOM 1446 C GLN A 93 -4.480 15.753 2.008 1.00 0.00 C ATOM 1447 O GLN A 93 -4.074 15.162 1.004 1.00 0.00 O ATOM 1448 CB GLN A 93 -5.770 14.495 3.719 1.00 0.00 C ATOM 1449 CG GLN A 93 -5.885 13.622 4.976 1.00 0.00 C ATOM 1450 CD GLN A 93 -6.093 14.403 6.267 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -5.623 15.506 6.424 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -6.869 13.859 7.158 1.00 0.00 N ATOM 0 H GLN A 93 -4.507 16.057 5.271 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.624 14.331 3.395 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.487 15.311 3.810 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -6.078 13.894 2.864 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -6.716 12.928 4.847 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.980 13.021 5.071 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.252 12.927 7.000 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -7.095 14.365 8.015 1.00 0.00 H new ATOM 1461 N GLN A 94 -4.974 16.971 1.969 1.00 0.00 N ATOM 1462 CA GLN A 94 -5.182 17.665 0.708 1.00 0.00 C ATOM 1463 C GLN A 94 -3.866 18.205 0.138 1.00 0.00 C ATOM 1464 O GLN A 94 -3.645 18.172 -1.069 1.00 0.00 O ATOM 1465 CB GLN A 94 -6.185 18.794 0.886 1.00 0.00 C ATOM 1466 CG GLN A 94 -5.710 19.866 1.834 1.00 0.00 C ATOM 1467 CD GLN A 94 -6.749 20.934 2.126 1.00 0.00 C ATOM 1468 OE1 GLN A 94 -7.604 21.221 1.179 1.00 0.00 O flip ATOM 1469 NE2 GLN A 94 -6.772 21.503 3.207 1.00 0.00 N flip ATOM 0 H GLN A 94 -5.241 17.506 2.795 1.00 0.00 H new ATOM 0 HA GLN A 94 -5.581 16.945 -0.006 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.393 19.243 -0.085 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.124 18.382 1.255 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.409 19.400 2.772 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -4.823 20.341 1.415 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -6.092 21.258 3.927 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -7.471 22.223 3.390 1.00 0.00 H new ATOM 1478 N GLN A 95 -2.987 18.679 1.007 1.00 0.00 N ATOM 1479 CA GLN A 95 -1.739 19.248 0.554 1.00 0.00 C ATOM 1480 C GLN A 95 -0.749 18.153 0.251 1.00 0.00 C ATOM 1481 O GLN A 95 -0.099 18.169 -0.768 1.00 0.00 O ATOM 1482 CB GLN A 95 -1.164 20.262 1.550 1.00 0.00 C ATOM 1483 CG GLN A 95 -0.880 19.724 2.920 1.00 0.00 C ATOM 1484 CD GLN A 95 -0.225 20.724 3.860 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -0.480 21.992 3.680 1.00 0.00 O flip ATOM 1486 NE2 GLN A 95 0.529 20.340 4.742 1.00 0.00 N flip ATOM 0 H GLN A 95 -3.117 18.679 2.019 1.00 0.00 H new ATOM 0 HA GLN A 95 -1.941 19.801 -0.363 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.240 20.667 1.138 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.863 21.093 1.642 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.815 19.383 3.365 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.233 18.851 2.828 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.710 19.343 4.860 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.977 21.016 5.360 1.00 0.00 H new ATOM 1495 N VAL A 96 -0.697 17.181 1.135 1.00 0.00 N ATOM 1496 CA VAL A 96 0.162 16.003 1.024 1.00 0.00 C ATOM 1497 C VAL A 96 -0.184 15.205 -0.227 1.00 0.00 C ATOM 1498 O VAL A 96 0.663 14.506 -0.779 1.00 0.00 O ATOM 1499 CB VAL A 96 0.050 15.103 2.305 1.00 0.00 C ATOM 1500 CG1 VAL A 96 0.802 13.792 2.168 1.00 0.00 C ATOM 1501 CG2 VAL A 96 0.542 15.860 3.532 1.00 0.00 C ATOM 0 H VAL A 96 -1.266 17.181 1.981 1.00 0.00 H new ATOM 0 HA VAL A 96 1.194 16.343 0.941 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.005 14.858 2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.690 13.211 3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.399 13.227 1.328 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.859 13.995 1.995 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.457 15.222 4.411 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.584 16.146 3.390 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.063 16.755 3.674 1.00 0.00 H new ATOM 1511 N GLN A 97 -1.415 15.373 -0.705 1.00 0.00 N ATOM 1512 CA GLN A 97 -1.892 14.671 -1.895 1.00 0.00 C ATOM 1513 C GLN A 97 -0.965 14.896 -3.104 1.00 0.00 C ATOM 1514 O GLN A 97 -0.671 13.963 -3.849 1.00 0.00 O ATOM 1515 CB GLN A 97 -3.307 15.101 -2.221 1.00 0.00 C ATOM 1516 CG GLN A 97 -3.914 14.390 -3.413 1.00 0.00 C ATOM 1517 CD GLN A 97 -5.373 14.724 -3.582 1.00 0.00 C ATOM 1518 OE1 GLN A 97 -5.743 15.685 -4.258 1.00 0.00 O ATOM 1519 NE2 GLN A 97 -6.217 13.937 -2.995 1.00 0.00 N ATOM 0 H GLN A 97 -2.105 15.994 -0.283 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.885 13.603 -1.677 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.937 14.927 -1.349 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.314 16.174 -2.410 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -3.371 14.667 -4.316 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.800 13.313 -3.290 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -5.880 13.149 -2.442 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -7.219 14.105 -3.086 1.00 0.00 H new ATOM 1528 N GLN A 98 -0.435 16.107 -3.233 1.00 0.00 N ATOM 1529 CA GLN A 98 0.438 16.443 -4.360 1.00 0.00 C ATOM 1530 C GLN A 98 1.796 15.762 -4.226 1.00 0.00 C ATOM 1531 O GLN A 98 2.533 15.622 -5.205 1.00 0.00 O ATOM 1532 CB GLN A 98 0.628 17.957 -4.495 1.00 0.00 C ATOM 1533 CG GLN A 98 1.368 18.579 -3.332 1.00 0.00 C ATOM 1534 CD GLN A 98 1.503 20.071 -3.436 1.00 0.00 C ATOM 1535 OE1 GLN A 98 1.577 20.631 -4.528 1.00 0.00 O ATOM 1536 NE2 GLN A 98 1.504 20.724 -2.314 1.00 0.00 N ATOM 0 H GLN A 98 -0.591 16.872 -2.576 1.00 0.00 H new ATOM 0 HA GLN A 98 -0.053 16.077 -5.262 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.173 18.166 -5.416 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.349 18.431 -4.589 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.847 18.333 -2.407 1.00 0.00 H new ATOM 0 HG3 GLN A 98 2.362 18.136 -3.265 1.00 0.00 H new ATOM 0 HE21 GLN A 98 1.441 20.219 -1.430 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.568 21.742 -2.316 1.00 0.00 H new ATOM 1545 N MET A 99 2.117 15.328 -3.038 1.00 0.00 N ATOM 1546 CA MET A 99 3.403 14.732 -2.790 1.00 0.00 C ATOM 1547 C MET A 99 3.273 13.243 -2.866 1.00 0.00 C ATOM 1548 O MET A 99 4.050 12.583 -3.524 1.00 0.00 O ATOM 1549 CB MET A 99 3.911 15.123 -1.432 1.00 0.00 C ATOM 1550 CG MET A 99 5.423 15.158 -1.302 1.00 0.00 C ATOM 1551 SD MET A 99 6.195 16.404 -2.346 1.00 0.00 S ATOM 1552 CE MET A 99 7.914 16.218 -1.869 1.00 0.00 C ATOM 0 H MET A 99 1.505 15.376 -2.224 1.00 0.00 H new ATOM 0 HA MET A 99 4.111 15.085 -3.540 1.00 0.00 H new ATOM 0 HB2 MET A 99 3.516 16.108 -1.182 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.514 14.424 -0.696 1.00 0.00 H new ATOM 0 HG2 MET A 99 5.688 15.350 -0.262 1.00 0.00 H new ATOM 0 HG3 MET A 99 5.826 14.178 -1.558 1.00 0.00 H new ATOM 0 HE1 MET A 99 8.526 16.924 -2.430 1.00 0.00 H new ATOM 0 HE2 MET A 99 8.019 16.415 -0.802 1.00 0.00 H new ATOM 0 HE3 MET A 99 8.243 15.202 -2.084 1.00 0.00 H new ATOM 1562 N VAL A 100 2.270 12.713 -2.211 1.00 0.00 N ATOM 1563 CA VAL A 100 2.020 11.280 -2.247 1.00 0.00 C ATOM 1564 C VAL A 100 1.701 10.802 -3.679 1.00 0.00 C ATOM 1565 O VAL A 100 2.005 9.676 -4.045 1.00 0.00 O ATOM 1566 CB VAL A 100 0.931 10.820 -1.224 1.00 0.00 C ATOM 1567 CG1 VAL A 100 -0.383 11.519 -1.455 1.00 0.00 C ATOM 1568 CG2 VAL A 100 0.740 9.318 -1.273 1.00 0.00 C ATOM 0 H VAL A 100 1.610 13.246 -1.645 1.00 0.00 H new ATOM 0 HA VAL A 100 2.946 10.798 -1.932 1.00 0.00 H new ATOM 0 HB VAL A 100 1.288 11.095 -0.232 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.113 11.172 -0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.246 12.595 -1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.742 11.296 -2.460 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.023 9.025 -0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.425 9.024 -2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.680 8.824 -1.028 1.00 0.00 H new ATOM 1578 N LYS A 101 1.146 11.688 -4.509 1.00 0.00 N ATOM 1579 CA LYS A 101 0.874 11.338 -5.900 1.00 0.00 C ATOM 1580 C LYS A 101 2.175 11.046 -6.667 1.00 0.00 C ATOM 1581 O LYS A 101 2.167 10.367 -7.683 1.00 0.00 O ATOM 1582 CB LYS A 101 0.004 12.412 -6.589 1.00 0.00 C ATOM 1583 CG LYS A 101 0.667 13.741 -6.969 1.00 0.00 C ATOM 1584 CD LYS A 101 1.413 13.660 -8.305 1.00 0.00 C ATOM 1585 CE LYS A 101 1.900 15.020 -8.780 1.00 0.00 C ATOM 1586 NZ LYS A 101 2.896 15.624 -7.875 1.00 0.00 N ATOM 0 H LYS A 101 0.881 12.637 -4.246 1.00 0.00 H new ATOM 0 HA LYS A 101 0.294 10.415 -5.910 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.410 11.974 -7.497 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.836 12.634 -5.931 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.093 14.520 -7.027 1.00 0.00 H new ATOM 0 HG3 LYS A 101 1.364 14.034 -6.184 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.265 12.988 -8.202 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.755 13.229 -9.060 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.336 14.917 -9.774 1.00 0.00 H new ATOM 0 HE3 LYS A 101 1.047 15.693 -8.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.178 16.556 -8.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.482 15.735 -6.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.732 15.008 -7.817 1.00 0.00 H new ATOM 1600 N LYS A 102 3.297 11.553 -6.153 1.00 0.00 N ATOM 1601 CA LYS A 102 4.602 11.293 -6.739 1.00 0.00 C ATOM 1602 C LYS A 102 4.949 9.826 -6.622 1.00 0.00 C ATOM 1603 O LYS A 102 5.641 9.288 -7.468 1.00 0.00 O ATOM 1604 CB LYS A 102 5.658 12.116 -6.045 1.00 0.00 C ATOM 1605 CG LYS A 102 5.511 13.607 -6.257 1.00 0.00 C ATOM 1606 CD LYS A 102 6.329 14.391 -5.250 1.00 0.00 C ATOM 1607 CE LYS A 102 7.800 14.018 -5.266 1.00 0.00 C ATOM 1608 NZ LYS A 102 8.469 14.389 -6.537 1.00 0.00 N ATOM 0 H LYS A 102 3.322 12.150 -5.326 1.00 0.00 H new ATOM 0 HA LYS A 102 4.566 11.568 -7.793 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.624 11.906 -4.976 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.640 11.803 -6.400 1.00 0.00 H new ATOM 0 HG2 LYS A 102 5.829 13.866 -7.267 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.461 13.887 -6.172 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.227 15.456 -5.457 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.927 14.221 -4.251 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.305 14.512 -4.436 1.00 0.00 H new ATOM 0 HE3 LYS A 102 7.901 12.944 -5.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.471 14.113 -6.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.007 13.898 -7.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.399 15.417 -6.679 1.00 0.00 H new ATOM 1622 N ALA A 103 4.421 9.174 -5.587 1.00 0.00 N ATOM 1623 CA ALA A 103 4.644 7.742 -5.375 1.00 0.00 C ATOM 1624 C ALA A 103 4.113 6.945 -6.555 1.00 0.00 C ATOM 1625 O ALA A 103 4.677 5.950 -6.942 1.00 0.00 O ATOM 1626 CB ALA A 103 3.998 7.268 -4.080 1.00 0.00 C ATOM 0 H ALA A 103 3.834 9.615 -4.879 1.00 0.00 H new ATOM 0 HA ALA A 103 5.718 7.577 -5.293 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.181 6.201 -3.951 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.426 7.814 -3.239 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.924 7.449 -4.122 1.00 0.00 H new ATOM 1632 N GLN A 104 3.074 7.455 -7.182 1.00 0.00 N ATOM 1633 CA GLN A 104 2.457 6.804 -8.329 1.00 0.00 C ATOM 1634 C GLN A 104 3.411 6.853 -9.534 1.00 0.00 C ATOM 1635 O GLN A 104 3.280 6.090 -10.476 1.00 0.00 O ATOM 1636 CB GLN A 104 1.145 7.514 -8.673 1.00 0.00 C ATOM 1637 CG GLN A 104 0.196 7.675 -7.488 1.00 0.00 C ATOM 1638 CD GLN A 104 -1.132 8.279 -7.888 1.00 0.00 C ATOM 1639 OE1 GLN A 104 -1.307 9.503 -7.897 1.00 0.00 O ATOM 1640 NE2 GLN A 104 -2.075 7.442 -8.209 1.00 0.00 N ATOM 0 H GLN A 104 2.630 8.333 -6.914 1.00 0.00 H new ATOM 0 HA GLN A 104 2.250 5.762 -8.085 1.00 0.00 H new ATOM 0 HB2 GLN A 104 1.373 8.500 -9.079 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.637 6.955 -9.459 1.00 0.00 H new ATOM 0 HG2 GLN A 104 0.025 6.701 -7.028 1.00 0.00 H new ATOM 0 HG3 GLN A 104 0.666 8.306 -6.733 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -1.894 6.438 -8.190 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -2.995 7.790 -8.480 1.00 0.00 H new ATOM 1649 N MET A 105 4.373 7.755 -9.488 1.00 0.00 N ATOM 1650 CA MET A 105 5.340 7.914 -10.571 1.00 0.00 C ATOM 1651 C MET A 105 6.557 7.056 -10.293 1.00 0.00 C ATOM 1652 O MET A 105 7.321 6.735 -11.196 1.00 0.00 O ATOM 1653 CB MET A 105 5.804 9.351 -10.667 1.00 0.00 C ATOM 1654 CG MET A 105 4.679 10.372 -10.628 1.00 0.00 C ATOM 1655 SD MET A 105 5.258 12.086 -10.756 1.00 0.00 S ATOM 1656 CE MET A 105 5.991 12.091 -12.398 1.00 0.00 C ATOM 0 H MET A 105 4.511 8.397 -8.707 1.00 0.00 H new ATOM 0 HA MET A 105 4.856 7.618 -11.502 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.493 9.554 -9.847 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.364 9.479 -11.593 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.985 10.169 -11.444 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.122 10.253 -9.699 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.131 13.119 -12.731 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.956 11.585 -12.367 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.331 11.571 -13.093 1.00 0.00 H new ATOM 1666 N LEU A 106 6.725 6.684 -9.032 1.00 0.00 N ATOM 1667 CA LEU A 106 7.868 5.884 -8.583 1.00 0.00 C ATOM 1668 C LEU A 106 8.063 4.589 -9.371 1.00 0.00 C ATOM 1669 O LEU A 106 9.175 4.323 -9.798 1.00 0.00 O ATOM 1670 CB LEU A 106 7.867 5.634 -7.063 1.00 0.00 C ATOM 1671 CG LEU A 106 8.705 6.597 -6.199 1.00 0.00 C ATOM 1672 CD1 LEU A 106 8.352 8.055 -6.446 1.00 0.00 C ATOM 1673 CD2 LEU A 106 8.549 6.255 -4.728 1.00 0.00 C ATOM 0 H LEU A 106 6.074 6.926 -8.285 1.00 0.00 H new ATOM 0 HA LEU A 106 8.738 6.502 -8.803 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.836 5.674 -6.713 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.225 4.620 -6.885 1.00 0.00 H new ATOM 0 HG LEU A 106 9.747 6.468 -6.491 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.970 8.691 -5.813 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.531 8.300 -7.493 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.301 8.220 -6.210 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.146 6.943 -4.129 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.500 6.342 -4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.888 5.234 -4.554 1.00 0.00 H new ATOM 1685 N PRO A 107 7.012 3.759 -9.617 1.00 0.00 N ATOM 1686 CA PRO A 107 7.174 2.560 -10.423 1.00 0.00 C ATOM 1687 C PRO A 107 7.590 2.867 -11.852 1.00 0.00 C ATOM 1688 O PRO A 107 8.195 2.035 -12.508 1.00 0.00 O ATOM 1689 CB PRO A 107 5.809 1.883 -10.393 1.00 0.00 C ATOM 1690 CG PRO A 107 4.864 2.945 -9.981 1.00 0.00 C ATOM 1691 CD PRO A 107 5.635 3.867 -9.097 1.00 0.00 C ATOM 0 HA PRO A 107 7.969 1.929 -10.026 1.00 0.00 H new ATOM 0 HB2 PRO A 107 5.547 1.479 -11.371 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.797 1.050 -9.690 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.471 3.475 -10.849 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.010 2.522 -9.452 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.261 4.889 -9.157 1.00 0.00 H new ATOM 0 HD3 PRO A 107 5.575 3.566 -8.051 1.00 0.00 H new ATOM 1699 N ASN A 108 7.322 4.063 -12.310 1.00 0.00 N ATOM 1700 CA ASN A 108 7.652 4.426 -13.633 1.00 0.00 C ATOM 1701 C ASN A 108 9.090 4.897 -13.672 1.00 0.00 C ATOM 1702 O ASN A 108 9.901 4.415 -14.458 1.00 0.00 O ATOM 1703 CB ASN A 108 6.742 5.547 -14.086 1.00 0.00 C ATOM 1704 CG ASN A 108 5.261 5.215 -14.062 1.00 0.00 C ATOM 1705 OD1 ASN A 108 4.854 4.060 -14.207 1.00 0.00 O ATOM 1706 ND2 ASN A 108 4.448 6.220 -13.889 1.00 0.00 N ATOM 0 H ASN A 108 6.870 4.798 -11.766 1.00 0.00 H new ATOM 0 HA ASN A 108 7.528 3.568 -14.294 1.00 0.00 H new ATOM 0 HB2 ASN A 108 6.915 6.416 -13.451 1.00 0.00 H new ATOM 0 HB3 ASN A 108 7.019 5.833 -15.101 1.00 0.00 H new ATOM 0 HD21 ASN A 108 3.440 6.063 -13.870 1.00 0.00 H new ATOM 0 HD22 ASN A 108 4.820 7.163 -13.772 1.00 0.00 H new ATOM 1713 N GLN A 109 9.414 5.794 -12.760 1.00 0.00 N ATOM 1714 CA GLN A 109 10.729 6.432 -12.714 1.00 0.00 C ATOM 1715 C GLN A 109 11.807 5.484 -12.208 1.00 0.00 C ATOM 1716 O GLN A 109 12.918 5.457 -12.732 1.00 0.00 O ATOM 1717 CB GLN A 109 10.687 7.713 -11.866 1.00 0.00 C ATOM 1718 CG GLN A 109 9.733 8.786 -12.398 1.00 0.00 C ATOM 1719 CD GLN A 109 10.069 9.227 -13.816 1.00 0.00 C ATOM 1720 OE1 GLN A 109 11.229 9.207 -14.234 1.00 0.00 O ATOM 1721 NE2 GLN A 109 9.073 9.614 -14.564 1.00 0.00 N ATOM 0 H GLN A 109 8.777 6.105 -12.027 1.00 0.00 H new ATOM 0 HA GLN A 109 10.991 6.703 -13.737 1.00 0.00 H new ATOM 0 HB2 GLN A 109 10.393 7.453 -10.849 1.00 0.00 H new ATOM 0 HB3 GLN A 109 11.692 8.132 -11.810 1.00 0.00 H new ATOM 0 HG2 GLN A 109 8.713 8.402 -12.374 1.00 0.00 H new ATOM 0 HG3 GLN A 109 9.763 9.652 -11.737 1.00 0.00 H new ATOM 0 HE21 GLN A 109 8.125 9.619 -14.188 1.00 0.00 H new ATOM 0 HE22 GLN A 109 9.242 9.912 -15.525 1.00 0.00 H new ATOM 1730 N CYS A 110 11.465 4.674 -11.224 1.00 0.00 N ATOM 1731 CA CYS A 110 12.408 3.721 -10.657 1.00 0.00 C ATOM 1732 C CYS A 110 12.439 2.453 -11.544 1.00 0.00 C ATOM 1733 O CYS A 110 13.171 1.506 -11.274 1.00 0.00 O ATOM 1734 CB CYS A 110 12.032 3.416 -9.176 1.00 0.00 C ATOM 1735 SG CYS A 110 13.243 2.439 -8.185 1.00 0.00 S ATOM 0 H CYS A 110 10.539 4.655 -10.798 1.00 0.00 H new ATOM 0 HA CYS A 110 13.415 4.138 -10.643 1.00 0.00 H new ATOM 0 HB2 CYS A 110 11.866 4.365 -8.667 1.00 0.00 H new ATOM 0 HB3 CYS A 110 11.082 2.882 -9.171 1.00 0.00 H new ATOM 1740 N ASN A 111 11.603 2.472 -12.619 1.00 0.00 N ATOM 1741 CA ASN A 111 11.558 1.430 -13.681 1.00 0.00 C ATOM 1742 C ASN A 111 11.134 0.075 -13.088 1.00 0.00 C ATOM 1743 O ASN A 111 11.609 -0.999 -13.477 1.00 0.00 O ATOM 1744 CB ASN A 111 12.933 1.339 -14.387 1.00 0.00 C ATOM 1745 CG ASN A 111 12.931 0.521 -15.679 1.00 0.00 C ATOM 1746 OD1 ASN A 111 11.892 0.636 -16.474 1.00 0.00 O flip ATOM 1747 ND2 ASN A 111 13.905 -0.161 -15.986 1.00 0.00 N flip ATOM 0 H ASN A 111 10.931 3.224 -12.773 1.00 0.00 H new ATOM 0 HA ASN A 111 10.813 1.708 -14.426 1.00 0.00 H new ATOM 0 HB2 ASN A 111 13.279 2.348 -14.611 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.653 0.901 -13.696 1.00 0.00 H new ATOM 0 HD21 ASN A 111 14.699 -0.233 -15.349 1.00 0.00 H new ATOM 0 HD22 ASN A 111 13.920 -0.656 -16.878 1.00 0.00 H new ATOM 1754 N LEU A 112 10.182 0.149 -12.205 1.00 0.00 N ATOM 1755 CA LEU A 112 9.667 -0.993 -11.475 1.00 0.00 C ATOM 1756 C LEU A 112 8.670 -1.757 -12.327 1.00 0.00 C ATOM 1757 O LEU A 112 8.142 -1.212 -13.281 1.00 0.00 O ATOM 1758 CB LEU A 112 9.037 -0.532 -10.160 1.00 0.00 C ATOM 1759 CG LEU A 112 9.945 0.362 -9.308 1.00 0.00 C ATOM 1760 CD1 LEU A 112 9.296 0.766 -7.987 1.00 0.00 C ATOM 1761 CD2 LEU A 112 11.278 -0.311 -9.079 1.00 0.00 C ATOM 0 H LEU A 112 9.723 1.026 -11.959 1.00 0.00 H new ATOM 0 HA LEU A 112 10.490 -1.668 -11.239 1.00 0.00 H new ATOM 0 HB2 LEU A 112 8.117 0.009 -10.381 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.758 -1.409 -9.576 1.00 0.00 H new ATOM 0 HG LEU A 112 10.108 1.285 -9.865 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.982 1.398 -7.423 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.376 1.316 -8.187 1.00 0.00 H new ATOM 0 HD13 LEU A 112 9.066 -0.127 -7.407 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.912 0.335 -8.473 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.123 -1.257 -8.561 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.761 -0.497 -10.038 1.00 0.00 H new ATOM 1773 N GLN A 113 8.438 -3.018 -11.980 1.00 0.00 N ATOM 1774 CA GLN A 113 7.555 -3.967 -12.728 1.00 0.00 C ATOM 1775 C GLN A 113 6.065 -3.593 -12.630 1.00 0.00 C ATOM 1776 O GLN A 113 5.197 -4.465 -12.531 1.00 0.00 O ATOM 1777 CB GLN A 113 7.747 -5.367 -12.146 1.00 0.00 C ATOM 1778 CG GLN A 113 9.197 -5.774 -12.029 1.00 0.00 C ATOM 1779 CD GLN A 113 9.929 -5.836 -13.356 1.00 0.00 C ATOM 1780 OE1 GLN A 113 9.254 -6.239 -14.398 1.00 0.00 O flip ATOM 1781 NE2 GLN A 113 11.123 -5.555 -13.424 1.00 0.00 N flip ATOM 0 H GLN A 113 8.860 -3.440 -11.153 1.00 0.00 H new ATOM 0 HA GLN A 113 7.836 -3.924 -13.780 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.285 -5.409 -11.160 1.00 0.00 H new ATOM 0 HB3 GLN A 113 7.224 -6.088 -12.774 1.00 0.00 H new ATOM 0 HG2 GLN A 113 9.710 -5.069 -11.375 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.252 -6.751 -11.549 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.622 -5.243 -12.591 1.00 0.00 H new ATOM 0 HE22 GLN A 113 11.616 -5.634 -14.314 1.00 0.00 H new ATOM 1790 N CYS A 114 5.794 -2.340 -12.732 1.00 0.00 N ATOM 1791 CA CYS A 114 4.494 -1.783 -12.588 1.00 0.00 C ATOM 1792 C CYS A 114 4.484 -0.450 -13.287 1.00 0.00 C ATOM 1793 O CYS A 114 5.503 0.243 -13.312 1.00 0.00 O ATOM 1794 CB CYS A 114 4.209 -1.579 -11.118 1.00 0.00 C ATOM 1795 SG CYS A 114 3.823 -3.082 -10.153 1.00 0.00 S ATOM 0 H CYS A 114 6.509 -1.639 -12.928 1.00 0.00 H new ATOM 0 HA CYS A 114 3.739 -2.443 -13.015 1.00 0.00 H new ATOM 0 HB2 CYS A 114 5.074 -1.095 -10.666 1.00 0.00 H new ATOM 0 HB3 CYS A 114 3.372 -0.888 -11.024 1.00 0.00 H new ATOM 1800 N SER A 115 3.385 -0.099 -13.856 1.00 0.00 N ATOM 1801 CA SER A 115 3.266 1.138 -14.572 1.00 0.00 C ATOM 1802 C SER A 115 1.977 1.848 -14.178 1.00 0.00 C ATOM 1803 O SER A 115 0.873 1.309 -14.345 1.00 0.00 O ATOM 1804 CB SER A 115 3.313 0.866 -16.076 1.00 0.00 C ATOM 1805 OG SER A 115 4.517 0.177 -16.425 1.00 0.00 O ATOM 0 H SER A 115 2.533 -0.660 -13.842 1.00 0.00 H new ATOM 0 HA SER A 115 4.100 1.792 -14.315 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.449 0.271 -16.371 1.00 0.00 H new ATOM 0 HB3 SER A 115 3.254 1.807 -16.623 1.00 0.00 H new ATOM 0 HG SER A 115 4.530 0.010 -17.391 1.00 0.00 H new ATOM 1811 N ILE A 116 2.112 3.026 -13.636 1.00 0.00 N ATOM 1812 CA ILE A 116 0.980 3.806 -13.210 1.00 0.00 C ATOM 1813 C ILE A 116 0.887 5.025 -14.103 1.00 0.00 C ATOM 1814 O ILE A 116 -0.020 5.101 -14.952 1.00 0.00 O ATOM 1815 CB ILE A 116 1.088 4.254 -11.717 1.00 0.00 C ATOM 1816 CG1 ILE A 116 1.233 3.039 -10.781 1.00 0.00 C ATOM 1817 CG2 ILE A 116 -0.145 5.060 -11.328 1.00 0.00 C ATOM 1818 CD1 ILE A 116 1.410 3.384 -9.315 1.00 0.00 C ATOM 1819 OXT ILE A 116 1.771 5.891 -14.013 1.00 0.00 O ATOM 0 H ILE A 116 3.013 3.476 -13.476 1.00 0.00 H new ATOM 0 HA ILE A 116 0.086 3.187 -13.288 1.00 0.00 H new ATOM 0 HB ILE A 116 1.978 4.874 -11.612 1.00 0.00 H new ATOM 0 HG12 ILE A 116 0.350 2.409 -10.888 1.00 0.00 H new ATOM 0 HG13 ILE A 116 2.089 2.447 -11.107 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -0.064 5.369 -10.286 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -0.218 5.942 -11.964 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -1.036 4.446 -11.456 1.00 0.00 H new ATOM 0 HD11 ILE A 116 1.504 2.466 -8.734 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.309 3.987 -9.189 1.00 0.00 H new ATOM 0 HD13 ILE A 116 0.544 3.947 -8.967 1.00 0.00 H new