USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 0 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 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 75 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 58 THR OG1 : rot 180:sc= -0.264 USER MOD Set 2.2: A 60 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 25 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 77 ASN : amide:sc= -2.55! C(o=-2.6!,f=-9.3!) USER MOD Set 4.1: A 7 SER OG : rot 180:sc= 0.0682 USER MOD Set 4.2: A 21 SER OG : rot 99:sc= -1.02 USER MOD Single : A 3 GLN : amide:sc= -0.901! C(o=-0.9!,f=-2.2!) USER MOD Single : A 13 GLN : amide:sc= -0.183 K(o=-0.18,f=-2.4!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -27:sc= -2.9! USER MOD Single : A 30 SER OG : rot -150:sc= -1.17 USER MOD Single : A 31 SER OG : rot -101:sc= 1.05 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 179:sc= -14.3! (180deg=-14.4!) USER MOD Single : A 35 SER OG : rot -122:sc= -1.52! USER MOD Single : A 39 GLN : amide:sc= -1.76! C(o=-1.8!,f=-4.6!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -45:sc= 0.822 USER MOD Single : A 52 SER OG : rot -150:sc= -2.23! USER MOD Single : A 54 SER OG : rot 180:sc= -0.0279 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0207) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.622 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.405 K(o=-0.41,f=-2.2) USER MOD Single : A 83 MET CE :methyl -121:sc= -30.1! (180deg=-34.1!) USER MOD Single : A 84 ASN : amide:sc= -1.42 K(o=-1.4,f=-5.4!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.0886 USER MOD Single : A 94 TYR OH : rot -132:sc= -4.69! USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -146:sc= -0.121 (180deg=-0.588) USER MOD Single : A 101 LYS NZ :NH3+ 146:sc= -0.0892 (180deg=-0.833) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 98:sc= -3.1! USER MOD Single : A 109 GLN : amide:sc= -0.116 K(o=-0.12,f=-0.95) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N VAL A 2 -12.426 10.849 -13.286 1.00 0.00 N ATOM 11 CA VAL A 2 -11.504 9.848 -12.685 1.00 0.00 C ATOM 12 C VAL A 2 -12.279 8.553 -12.417 1.00 0.00 C ATOM 13 O VAL A 2 -13.474 8.567 -12.197 1.00 0.00 O ATOM 14 CB VAL A 2 -10.924 10.399 -11.375 1.00 0.00 C ATOM 15 CG1 VAL A 2 -9.743 9.531 -10.930 1.00 0.00 C ATOM 16 CG2 VAL A 2 -10.441 11.835 -11.593 1.00 0.00 C ATOM 0 HA VAL A 2 -10.682 9.643 -13.371 1.00 0.00 H new ATOM 0 HB VAL A 2 -11.697 10.385 -10.606 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.333 9.924 -10.000 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -10.083 8.507 -10.773 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.972 9.543 -11.700 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.029 12.226 -10.662 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.670 11.847 -12.364 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.279 12.457 -11.908 1.00 0.00 H new ATOM 17 N GLN A 3 -11.608 7.435 -12.440 1.00 0.00 N ATOM 18 CA GLN A 3 -12.298 6.130 -12.195 1.00 0.00 C ATOM 19 C GLN A 3 -11.226 5.053 -12.169 1.00 0.00 C ATOM 20 O GLN A 3 -10.520 4.861 -13.136 1.00 0.00 O ATOM 21 CB GLN A 3 -13.293 5.847 -13.322 1.00 0.00 C ATOM 22 CG GLN A 3 -14.516 5.120 -12.754 1.00 0.00 C ATOM 23 CD GLN A 3 -15.215 6.019 -11.732 1.00 0.00 C ATOM 24 OE1 GLN A 3 -14.882 6.004 -10.563 1.00 0.00 O ATOM 25 NE2 GLN A 3 -16.179 6.806 -12.125 1.00 0.00 N ATOM 0 H GLN A 3 -10.606 7.365 -12.619 1.00 0.00 H new ATOM 0 HA GLN A 3 -12.848 6.153 -11.254 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -13.599 6.781 -13.794 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -12.821 5.239 -14.094 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -15.205 4.862 -13.558 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -14.211 4.185 -12.283 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -16.459 6.819 -13.106 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -16.653 7.408 -11.451 1.00 0.00 H new ATOM 26 N LEU A 4 -11.041 4.391 -11.059 1.00 0.00 N ATOM 27 CA LEU A 4 -9.941 3.396 -10.999 1.00 0.00 C ATOM 28 C LEU A 4 -10.288 2.194 -10.120 1.00 0.00 C ATOM 29 O LEU A 4 -11.329 2.142 -9.497 1.00 0.00 O ATOM 30 CB LEU A 4 -8.689 4.080 -10.461 1.00 0.00 C ATOM 31 CG LEU A 4 -9.034 5.313 -9.616 1.00 0.00 C ATOM 32 CD1 LEU A 4 -9.588 6.452 -10.475 1.00 0.00 C ATOM 33 CD2 LEU A 4 -10.018 4.959 -8.502 1.00 0.00 C ATOM 0 H LEU A 4 -11.594 4.495 -10.208 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.774 3.018 -12.008 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.119 3.373 -9.858 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.050 4.376 -11.293 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.106 5.659 -9.161 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.820 7.307 -9.840 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.845 6.743 -11.217 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.494 6.119 -10.980 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.244 5.852 -7.919 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.937 4.568 -8.939 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.576 4.204 -7.852 1.00 0.00 H new ATOM 34 N VAL A 5 -9.401 1.221 -10.084 1.00 0.00 N ATOM 35 CA VAL A 5 -9.643 -0.015 -9.268 1.00 0.00 C ATOM 36 C VAL A 5 -8.351 -0.854 -9.197 1.00 0.00 C ATOM 37 O VAL A 5 -7.953 -1.460 -10.171 1.00 0.00 O ATOM 38 CB VAL A 5 -10.747 -0.853 -9.941 1.00 0.00 C ATOM 39 CG1 VAL A 5 -10.709 -2.296 -9.427 1.00 0.00 C ATOM 40 CG2 VAL A 5 -12.119 -0.253 -9.628 1.00 0.00 C ATOM 0 H VAL A 5 -8.515 1.232 -10.589 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.947 0.270 -8.261 1.00 0.00 H new ATOM 0 HB VAL A 5 -10.576 -0.847 -11.017 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -11.495 -2.876 -9.912 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.739 -2.738 -9.655 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.866 -2.302 -8.348 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.895 -0.850 -10.107 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.277 -0.250 -8.550 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -12.164 0.769 -10.004 1.00 0.00 H new ATOM 41 N GLU A 6 -7.706 -0.910 -8.051 1.00 0.00 N ATOM 42 CA GLU A 6 -6.450 -1.728 -7.919 1.00 0.00 C ATOM 43 C GLU A 6 -6.584 -3.020 -8.732 1.00 0.00 C ATOM 44 O GLU A 6 -7.676 -3.460 -9.031 1.00 0.00 O ATOM 45 CB GLU A 6 -6.224 -2.082 -6.444 1.00 0.00 C ATOM 46 CG GLU A 6 -7.571 -2.279 -5.745 1.00 0.00 C ATOM 47 CD GLU A 6 -8.443 -3.227 -6.570 1.00 0.00 C ATOM 48 OE1 GLU A 6 -8.361 -4.423 -6.345 1.00 0.00 O ATOM 49 OE2 GLU A 6 -9.178 -2.740 -7.410 1.00 0.00 O ATOM 0 H GLU A 6 -7.994 -0.425 -7.201 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.605 -1.150 -8.293 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.627 -2.991 -6.366 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.662 -1.288 -5.952 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.418 -2.687 -4.746 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.073 -1.319 -5.624 1.00 0.00 H new ATOM 50 N SER A 7 -5.485 -3.638 -9.093 1.00 0.00 N ATOM 51 CA SER A 7 -5.574 -4.898 -9.888 1.00 0.00 C ATOM 52 C SER A 7 -4.169 -5.378 -10.261 1.00 0.00 C ATOM 53 O SER A 7 -3.176 -4.863 -9.787 1.00 0.00 O ATOM 54 CB SER A 7 -6.367 -4.645 -11.173 1.00 0.00 C ATOM 55 OG SER A 7 -5.620 -3.785 -12.024 1.00 0.00 O ATOM 0 H SER A 7 -4.539 -3.326 -8.873 1.00 0.00 H new ATOM 0 HA SER A 7 -6.075 -5.657 -9.288 1.00 0.00 H new ATOM 0 HB2 SER A 7 -6.572 -5.588 -11.679 1.00 0.00 H new ATOM 0 HB3 SER A 7 -7.331 -4.194 -10.937 1.00 0.00 H new ATOM 0 HG SER A 7 -6.124 -3.622 -12.849 1.00 0.00 H new ATOM 56 N GLY A 8 -4.084 -6.367 -11.110 1.00 0.00 N ATOM 57 CA GLY A 8 -2.756 -6.896 -11.523 1.00 0.00 C ATOM 58 C GLY A 8 -2.653 -8.354 -11.085 1.00 0.00 C ATOM 59 O GLY A 8 -3.262 -9.234 -11.661 1.00 0.00 O ATOM 0 H GLY A 8 -4.885 -6.833 -11.537 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.637 -6.817 -12.604 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.958 -6.308 -11.070 1.00 0.00 H new ATOM 60 N GLY A 9 -1.896 -8.613 -10.060 1.00 0.00 N ATOM 61 CA GLY A 9 -1.758 -10.009 -9.564 1.00 0.00 C ATOM 62 C GLY A 9 -0.396 -10.572 -9.974 1.00 0.00 C ATOM 63 O GLY A 9 0.037 -10.425 -11.100 1.00 0.00 O ATOM 0 H GLY A 9 -1.364 -7.915 -9.541 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.859 -10.031 -8.479 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.556 -10.630 -9.971 1.00 0.00 H new ATOM 64 N GLY A 10 0.283 -11.212 -9.063 1.00 0.00 N ATOM 65 CA GLY A 10 1.621 -11.786 -9.383 1.00 0.00 C ATOM 66 C GLY A 10 2.116 -12.580 -8.172 1.00 0.00 C ATOM 67 O GLY A 10 1.420 -12.705 -7.184 1.00 0.00 O ATOM 0 H GLY A 10 -0.033 -11.363 -8.105 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.555 -12.433 -10.258 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.325 -10.990 -9.627 1.00 0.00 H new ATOM 68 N LEU A 11 3.311 -13.103 -8.220 1.00 0.00 N ATOM 69 CA LEU A 11 3.825 -13.863 -7.044 1.00 0.00 C ATOM 70 C LEU A 11 5.125 -13.221 -6.562 1.00 0.00 C ATOM 71 O LEU A 11 5.765 -12.482 -7.284 1.00 0.00 O ATOM 72 CB LEU A 11 4.078 -15.322 -7.414 1.00 0.00 C ATOM 73 CG LEU A 11 2.843 -15.895 -8.112 1.00 0.00 C ATOM 74 CD1 LEU A 11 3.190 -16.247 -9.561 1.00 0.00 C ATOM 75 CD2 LEU A 11 2.383 -17.157 -7.378 1.00 0.00 C ATOM 0 H LEU A 11 3.948 -13.038 -9.014 1.00 0.00 H new ATOM 0 HA LEU A 11 3.079 -13.834 -6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.946 -15.396 -8.069 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.304 -15.901 -6.519 1.00 0.00 H new ATOM 0 HG LEU A 11 2.044 -15.154 -8.100 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.309 -16.655 -10.057 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.518 -15.349 -10.085 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.990 -16.988 -9.574 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.503 -17.566 -7.874 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.183 -17.897 -7.390 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.135 -16.908 -6.346 1.00 0.00 H new ATOM 76 N VAL A 12 5.510 -13.468 -5.338 1.00 0.00 N ATOM 77 CA VAL A 12 6.758 -12.834 -4.818 1.00 0.00 C ATOM 78 C VAL A 12 7.543 -13.797 -3.932 1.00 0.00 C ATOM 79 O VAL A 12 7.782 -13.518 -2.777 1.00 0.00 O ATOM 80 CB VAL A 12 6.410 -11.603 -3.977 1.00 0.00 C ATOM 81 CG1 VAL A 12 6.267 -10.378 -4.879 1.00 0.00 C ATOM 82 CG2 VAL A 12 5.103 -11.850 -3.220 1.00 0.00 C ATOM 0 H VAL A 12 5.020 -14.075 -4.681 1.00 0.00 H new ATOM 0 HA VAL A 12 7.364 -12.556 -5.681 1.00 0.00 H new ATOM 0 HB VAL A 12 7.211 -11.421 -3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.019 -9.507 -4.273 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.206 -10.200 -5.403 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.473 -10.552 -5.606 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.857 -10.972 -2.622 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.300 -12.040 -3.932 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.219 -12.714 -2.566 1.00 0.00 H new ATOM 83 N GLN A 13 7.978 -14.908 -4.451 1.00 0.00 N ATOM 84 CA GLN A 13 8.788 -15.835 -3.608 1.00 0.00 C ATOM 85 C GLN A 13 9.904 -15.000 -2.960 1.00 0.00 C ATOM 86 O GLN A 13 9.992 -13.816 -3.210 1.00 0.00 O ATOM 87 CB GLN A 13 9.392 -16.925 -4.499 1.00 0.00 C ATOM 88 CG GLN A 13 8.878 -18.294 -4.055 1.00 0.00 C ATOM 89 CD GLN A 13 9.768 -19.392 -4.639 1.00 0.00 C ATOM 90 OE1 GLN A 13 10.856 -19.123 -5.105 1.00 0.00 O ATOM 91 NE2 GLN A 13 9.347 -20.629 -4.634 1.00 0.00 N ATOM 0 H GLN A 13 7.812 -15.215 -5.410 1.00 0.00 H new ATOM 0 HA GLN A 13 8.178 -16.314 -2.842 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.126 -16.746 -5.541 1.00 0.00 H new ATOM 0 HB3 GLN A 13 10.480 -16.897 -4.438 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.874 -18.356 -2.967 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.849 -18.432 -4.386 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.433 -20.855 -4.242 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.933 -21.369 -5.022 1.00 0.00 H new ATOM 92 N PRO A 14 10.742 -15.607 -2.161 1.00 0.00 N ATOM 93 CA PRO A 14 11.835 -14.865 -1.517 1.00 0.00 C ATOM 94 C PRO A 14 12.810 -14.386 -2.590 1.00 0.00 C ATOM 95 O PRO A 14 13.503 -15.164 -3.213 1.00 0.00 O ATOM 96 CB PRO A 14 12.449 -15.880 -0.548 1.00 0.00 C ATOM 97 CG PRO A 14 12.023 -17.272 -1.063 1.00 0.00 C ATOM 98 CD PRO A 14 10.715 -17.050 -1.847 1.00 0.00 C ATOM 0 HA PRO A 14 11.524 -13.967 -0.983 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.535 -15.789 -0.524 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.092 -15.714 0.469 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.793 -17.704 -1.702 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.870 -17.965 -0.235 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.681 -17.657 -2.752 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.841 -17.315 -1.252 1.00 0.00 H new ATOM 99 N GLY A 15 12.818 -13.106 -2.846 1.00 0.00 N ATOM 100 CA GLY A 15 13.691 -12.564 -3.921 1.00 0.00 C ATOM 101 C GLY A 15 12.894 -12.656 -5.220 1.00 0.00 C ATOM 102 O GLY A 15 13.434 -12.832 -6.295 1.00 0.00 O ATOM 0 H GLY A 15 12.255 -12.412 -2.354 1.00 0.00 H new ATOM 0 HA2 GLY A 15 13.969 -11.532 -3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 15 14.616 -13.135 -3.993 1.00 0.00 H new ATOM 103 N GLY A 16 11.593 -12.566 -5.107 1.00 0.00 N ATOM 104 CA GLY A 16 10.715 -12.676 -6.302 1.00 0.00 C ATOM 105 C GLY A 16 10.482 -11.302 -6.931 1.00 0.00 C ATOM 106 O GLY A 16 11.408 -10.616 -7.316 1.00 0.00 O ATOM 0 H GLY A 16 11.100 -12.419 -4.226 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.170 -13.344 -7.033 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.760 -13.118 -6.018 1.00 0.00 H new ATOM 107 N SER A 17 9.239 -10.915 -7.048 1.00 0.00 N ATOM 108 CA SER A 17 8.893 -9.605 -7.665 1.00 0.00 C ATOM 109 C SER A 17 7.469 -9.718 -8.196 1.00 0.00 C ATOM 110 O SER A 17 7.182 -10.540 -9.044 1.00 0.00 O ATOM 111 CB SER A 17 9.848 -9.299 -8.821 1.00 0.00 C ATOM 112 OG SER A 17 9.158 -8.554 -9.816 1.00 0.00 O ATOM 0 H SER A 17 8.437 -11.462 -6.736 1.00 0.00 H new ATOM 0 HA SER A 17 8.976 -8.803 -6.932 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.707 -8.735 -8.458 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.232 -10.226 -9.246 1.00 0.00 H new ATOM 0 HG SER A 17 9.768 -8.355 -10.557 1.00 0.00 H new ATOM 113 N LEU A 18 6.565 -8.930 -7.694 1.00 0.00 N ATOM 114 CA LEU A 18 5.164 -9.044 -8.167 1.00 0.00 C ATOM 115 C LEU A 18 4.821 -7.914 -9.122 1.00 0.00 C ATOM 116 O LEU A 18 5.544 -6.947 -9.253 1.00 0.00 O ATOM 117 CB LEU A 18 4.216 -8.984 -6.982 1.00 0.00 C ATOM 118 CG LEU A 18 3.275 -10.178 -7.050 1.00 0.00 C ATOM 119 CD1 LEU A 18 3.339 -10.964 -5.740 1.00 0.00 C ATOM 120 CD2 LEU A 18 1.856 -9.672 -7.286 1.00 0.00 C ATOM 0 H LEU A 18 6.734 -8.218 -6.983 1.00 0.00 H new ATOM 0 HA LEU A 18 5.059 -9.996 -8.687 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.777 -8.998 -6.048 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.648 -8.054 -6.999 1.00 0.00 H new ATOM 0 HG LEU A 18 3.571 -10.837 -7.867 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.663 -11.818 -5.794 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.357 -11.317 -5.577 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.042 -10.318 -4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.172 -10.519 -7.337 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.562 -9.017 -6.466 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.818 -9.118 -8.224 1.00 0.00 H new ATOM 121 N ARG A 19 3.708 -8.039 -9.787 1.00 0.00 N ATOM 122 CA ARG A 19 3.288 -6.989 -10.742 1.00 0.00 C ATOM 123 C ARG A 19 1.804 -6.672 -10.525 1.00 0.00 C ATOM 124 O ARG A 19 0.939 -7.274 -11.130 1.00 0.00 O ATOM 125 CB ARG A 19 3.503 -7.507 -12.163 1.00 0.00 C ATOM 126 CG ARG A 19 3.228 -6.395 -13.175 1.00 0.00 C ATOM 127 CD ARG A 19 4.430 -6.254 -14.112 1.00 0.00 C ATOM 128 NE ARG A 19 4.067 -6.750 -15.470 1.00 0.00 N ATOM 129 CZ ARG A 19 4.590 -6.193 -16.529 1.00 0.00 C ATOM 130 NH1 ARG A 19 4.509 -4.900 -16.692 1.00 0.00 N ATOM 131 NH2 ARG A 19 5.194 -6.926 -17.424 1.00 0.00 N ATOM 0 H ARG A 19 3.070 -8.831 -9.706 1.00 0.00 H new ATOM 0 HA ARG A 19 3.873 -6.083 -10.588 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.525 -7.867 -12.276 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.844 -8.354 -12.353 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.330 -6.624 -13.749 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.044 -5.454 -12.657 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.741 -5.211 -14.166 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.276 -6.819 -13.722 1.00 0.00 H new ATOM 0 HE ARG A 19 3.411 -7.524 -15.572 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.038 -4.326 -15.993 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.917 -4.464 -17.519 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.258 -7.936 -17.297 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.602 -6.489 -18.250 1.00 0.00 H new ATOM 132 N LEU A 20 1.503 -5.728 -9.676 1.00 0.00 N ATOM 133 CA LEU A 20 0.073 -5.373 -9.433 1.00 0.00 C ATOM 134 C LEU A 20 -0.231 -4.096 -10.201 1.00 0.00 C ATOM 135 O LEU A 20 0.344 -3.847 -11.244 1.00 0.00 O ATOM 136 CB LEU A 20 -0.198 -5.137 -7.941 1.00 0.00 C ATOM 137 CG LEU A 20 0.368 -6.271 -7.091 1.00 0.00 C ATOM 138 CD1 LEU A 20 -0.154 -7.609 -7.609 1.00 0.00 C ATOM 139 CD2 LEU A 20 1.894 -6.233 -7.154 1.00 0.00 C ATOM 0 H LEU A 20 2.182 -5.187 -9.141 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.560 -6.196 -9.765 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.247 -4.191 -7.633 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.272 -5.054 -7.772 1.00 0.00 H new ATOM 0 HG LEU A 20 0.052 -6.151 -6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.251 -8.418 -7.001 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.242 -7.622 -7.551 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.156 -7.744 -8.645 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.303 -7.041 -6.548 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.219 -6.354 -8.188 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.250 -5.277 -6.771 1.00 0.00 H new ATOM 140 N SER A 21 -1.120 -3.275 -9.715 1.00 0.00 N ATOM 141 CA SER A 21 -1.415 -2.036 -10.471 1.00 0.00 C ATOM 142 C SER A 21 -2.616 -1.282 -9.897 1.00 0.00 C ATOM 143 O SER A 21 -3.238 -1.687 -8.937 1.00 0.00 O ATOM 144 CB SER A 21 -1.728 -2.433 -11.905 1.00 0.00 C ATOM 145 OG SER A 21 -2.426 -3.672 -11.910 1.00 0.00 O ATOM 0 H SER A 21 -1.642 -3.406 -8.848 1.00 0.00 H new ATOM 0 HA SER A 21 -0.550 -1.375 -10.408 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.331 -1.662 -12.384 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.806 -2.520 -12.480 1.00 0.00 H new ATOM 0 HG SER A 21 -3.387 -3.506 -12.011 1.00 0.00 H new ATOM 146 N CYS A 22 -2.943 -0.186 -10.527 1.00 0.00 N ATOM 147 CA CYS A 22 -4.099 0.646 -10.113 1.00 0.00 C ATOM 148 C CYS A 22 -4.928 0.922 -11.360 1.00 0.00 C ATOM 149 O CYS A 22 -4.547 1.726 -12.192 1.00 0.00 O ATOM 150 CB CYS A 22 -3.604 1.984 -9.554 1.00 0.00 C ATOM 151 SG CYS A 22 -3.285 1.828 -7.786 1.00 0.00 S ATOM 0 H CYS A 22 -2.437 0.174 -11.336 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.681 0.131 -9.348 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.695 2.290 -10.071 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.348 2.760 -9.731 1.00 0.00 H new ATOM 152 N ALA A 23 -6.049 0.276 -11.517 1.00 0.00 N ATOM 153 CA ALA A 23 -6.863 0.552 -12.725 1.00 0.00 C ATOM 154 C ALA A 23 -7.108 2.054 -12.747 1.00 0.00 C ATOM 155 O ALA A 23 -6.962 2.711 -11.739 1.00 0.00 O ATOM 156 CB ALA A 23 -8.194 -0.201 -12.667 1.00 0.00 C ATOM 0 H ALA A 23 -6.429 -0.418 -10.873 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.346 0.221 -13.625 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.775 0.017 -13.564 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.004 -1.273 -12.609 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.753 0.116 -11.787 1.00 0.00 H new ATOM 157 N ALA A 24 -7.459 2.611 -13.866 1.00 0.00 N ATOM 158 CA ALA A 24 -7.682 4.082 -13.910 1.00 0.00 C ATOM 159 C ALA A 24 -7.859 4.536 -15.361 1.00 0.00 C ATOM 160 O ALA A 24 -7.187 4.059 -16.263 1.00 0.00 O ATOM 161 CB ALA A 24 -6.472 4.794 -13.295 1.00 0.00 C ATOM 0 H ALA A 24 -7.601 2.118 -14.748 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.581 4.330 -13.346 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.630 5.872 -13.325 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.349 4.474 -12.260 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.575 4.543 -13.862 1.00 0.00 H new ATOM 162 N SER A 25 -8.760 5.455 -15.592 1.00 0.00 N ATOM 163 CA SER A 25 -8.987 5.945 -16.979 1.00 0.00 C ATOM 164 C SER A 25 -9.593 7.348 -16.927 1.00 0.00 C ATOM 165 O SER A 25 -10.294 7.697 -15.998 1.00 0.00 O ATOM 166 CB SER A 25 -9.951 5.003 -17.700 1.00 0.00 C ATOM 167 OG SER A 25 -10.024 5.365 -19.072 1.00 0.00 O ATOM 0 H SER A 25 -9.347 5.886 -14.878 1.00 0.00 H new ATOM 0 HA SER A 25 -8.038 5.975 -17.515 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.611 3.972 -17.602 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.940 5.058 -17.245 1.00 0.00 H new ATOM 0 HG SER A 25 -10.640 4.761 -19.537 1.00 0.00 H new ATOM 168 N GLY A 26 -9.331 8.156 -17.916 1.00 0.00 N ATOM 169 CA GLY A 26 -9.895 9.534 -17.914 1.00 0.00 C ATOM 170 C GLY A 26 -8.926 10.481 -17.208 1.00 0.00 C ATOM 171 O GLY A 26 -8.555 11.513 -17.729 1.00 0.00 O ATOM 0 H GLY A 26 -8.753 7.923 -18.723 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.067 9.869 -18.937 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.861 9.542 -17.409 1.00 0.00 H new ATOM 172 N PHE A 27 -8.517 10.136 -16.018 1.00 0.00 N ATOM 173 CA PHE A 27 -7.574 11.008 -15.264 1.00 0.00 C ATOM 174 C PHE A 27 -6.149 10.450 -15.388 1.00 0.00 C ATOM 175 O PHE A 27 -5.200 11.059 -14.944 1.00 0.00 O ATOM 176 CB PHE A 27 -8.003 11.039 -13.778 1.00 0.00 C ATOM 177 CG PHE A 27 -7.147 10.089 -12.961 1.00 0.00 C ATOM 178 CD1 PHE A 27 -5.869 10.487 -12.552 1.00 0.00 C ATOM 179 CD2 PHE A 27 -7.615 8.809 -12.642 1.00 0.00 C ATOM 180 CE1 PHE A 27 -5.060 9.618 -11.830 1.00 0.00 C ATOM 181 CE2 PHE A 27 -6.805 7.933 -11.909 1.00 0.00 C ATOM 182 CZ PHE A 27 -5.525 8.335 -11.503 1.00 0.00 C ATOM 0 H PHE A 27 -8.797 9.283 -15.534 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.593 12.019 -15.671 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.909 12.052 -13.387 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.053 10.760 -13.690 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.510 11.475 -12.799 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.599 8.498 -12.961 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.073 9.930 -11.521 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.167 6.947 -11.656 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.898 7.659 -10.940 1.00 0.00 H new ATOM 183 N THR A 28 -6.012 9.279 -15.946 1.00 0.00 N ATOM 184 CA THR A 28 -4.672 8.637 -16.062 1.00 0.00 C ATOM 185 C THR A 28 -4.210 8.225 -14.656 1.00 0.00 C ATOM 186 O THR A 28 -4.960 7.619 -13.916 1.00 0.00 O ATOM 187 CB THR A 28 -3.655 9.581 -16.731 1.00 0.00 C ATOM 188 OG1 THR A 28 -3.188 10.545 -15.804 1.00 0.00 O ATOM 189 CG2 THR A 28 -4.314 10.288 -17.915 1.00 0.00 C ATOM 0 H THR A 28 -6.782 8.732 -16.332 1.00 0.00 H new ATOM 0 HA THR A 28 -4.742 7.755 -16.698 1.00 0.00 H new ATOM 0 HB THR A 28 -2.808 8.991 -17.080 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.872 10.699 -15.120 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.593 10.956 -18.387 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.651 9.547 -18.640 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.168 10.867 -17.564 1.00 0.00 H new ATOM 190 N PHE A 29 -2.990 8.504 -14.276 1.00 0.00 N ATOM 191 CA PHE A 29 -2.528 8.068 -12.921 1.00 0.00 C ATOM 192 C PHE A 29 -1.410 8.987 -12.445 1.00 0.00 C ATOM 193 O PHE A 29 -1.366 9.404 -11.304 1.00 0.00 O ATOM 194 CB PHE A 29 -1.995 6.639 -13.011 1.00 0.00 C ATOM 195 CG PHE A 29 -2.616 5.987 -14.212 1.00 0.00 C ATOM 196 CD1 PHE A 29 -2.160 6.321 -15.495 1.00 0.00 C ATOM 197 CD2 PHE A 29 -3.680 5.098 -14.050 1.00 0.00 C ATOM 198 CE1 PHE A 29 -2.772 5.760 -16.609 1.00 0.00 C ATOM 199 CE2 PHE A 29 -4.283 4.537 -15.166 1.00 0.00 C ATOM 200 CZ PHE A 29 -3.830 4.873 -16.444 1.00 0.00 C ATOM 0 H PHE A 29 -2.301 9.007 -14.835 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.361 8.112 -12.219 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.909 6.642 -13.098 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.240 6.083 -12.106 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.338 7.010 -15.617 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.032 4.848 -13.060 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.427 6.012 -17.601 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.101 3.842 -15.047 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.306 4.440 -17.312 1.00 0.00 H new ATOM 201 N SER A 30 -0.506 9.303 -13.325 1.00 0.00 N ATOM 202 CA SER A 30 0.624 10.196 -12.963 1.00 0.00 C ATOM 203 C SER A 30 0.239 11.625 -13.316 1.00 0.00 C ATOM 204 O SER A 30 0.717 12.575 -12.730 1.00 0.00 O ATOM 205 CB SER A 30 1.871 9.792 -13.751 1.00 0.00 C ATOM 206 OG SER A 30 3.028 10.095 -12.984 1.00 0.00 O ATOM 0 H SER A 30 -0.502 8.976 -14.291 1.00 0.00 H new ATOM 0 HA SER A 30 0.838 10.117 -11.897 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.841 8.727 -13.981 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.902 10.323 -14.703 1.00 0.00 H new ATOM 0 HG SER A 30 3.774 10.300 -13.585 1.00 0.00 H new ATOM 207 N SER A 31 -0.638 11.784 -14.267 1.00 0.00 N ATOM 208 CA SER A 31 -1.068 13.154 -14.644 1.00 0.00 C ATOM 209 C SER A 31 -1.500 13.883 -13.374 1.00 0.00 C ATOM 210 O SER A 31 -1.188 15.040 -13.170 1.00 0.00 O ATOM 211 CB SER A 31 -2.245 13.079 -15.620 1.00 0.00 C ATOM 212 OG SER A 31 -2.688 14.396 -15.937 1.00 0.00 O ATOM 0 H SER A 31 -1.072 11.028 -14.796 1.00 0.00 H new ATOM 0 HA SER A 31 -0.248 13.686 -15.126 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.944 12.557 -16.528 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.061 12.506 -15.178 1.00 0.00 H new ATOM 0 HG SER A 31 -3.490 14.606 -15.415 1.00 0.00 H new ATOM 213 N TYR A 32 -2.213 13.210 -12.509 1.00 0.00 N ATOM 214 CA TYR A 32 -2.656 13.863 -11.245 1.00 0.00 C ATOM 215 C TYR A 32 -2.139 13.051 -10.055 1.00 0.00 C ATOM 216 O TYR A 32 -2.819 12.877 -9.062 1.00 0.00 O ATOM 217 CB TYR A 32 -4.184 13.925 -11.212 1.00 0.00 C ATOM 218 CG TYR A 32 -4.697 14.285 -12.587 1.00 0.00 C ATOM 219 CD1 TYR A 32 -4.588 13.366 -13.637 1.00 0.00 C ATOM 220 CD2 TYR A 32 -5.276 15.540 -12.813 1.00 0.00 C ATOM 221 CE1 TYR A 32 -5.059 13.700 -14.914 1.00 0.00 C ATOM 222 CE2 TYR A 32 -5.747 15.875 -14.088 1.00 0.00 C ATOM 223 CZ TYR A 32 -5.639 14.955 -15.139 1.00 0.00 C ATOM 224 OH TYR A 32 -6.104 15.285 -16.397 1.00 0.00 O ATOM 0 H TYR A 32 -2.506 12.240 -12.624 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.259 14.877 -11.191 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.592 12.964 -10.899 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -4.514 14.665 -10.483 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.141 12.399 -13.463 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -5.359 16.250 -12.003 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.975 12.990 -15.724 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.194 16.843 -14.261 1.00 0.00 H new ATOM 0 HH TYR A 32 -6.477 16.191 -16.381 1.00 0.00 H new ATOM 225 N ALA A 33 -0.937 12.550 -10.156 1.00 0.00 N ATOM 226 CA ALA A 33 -0.358 11.742 -9.046 1.00 0.00 C ATOM 227 C ALA A 33 -1.317 10.607 -8.688 1.00 0.00 C ATOM 228 O ALA A 33 -2.446 10.568 -9.136 1.00 0.00 O ATOM 229 CB ALA A 33 -0.126 12.628 -7.821 1.00 0.00 C ATOM 0 H ALA A 33 -0.328 12.667 -10.966 1.00 0.00 H new ATOM 0 HA ALA A 33 0.596 11.324 -9.366 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.297 12.030 -7.014 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.565 13.431 -8.078 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.075 13.056 -7.496 1.00 0.00 H new ATOM 230 N MET A 34 -0.873 9.675 -7.891 1.00 0.00 N ATOM 231 CA MET A 34 -1.746 8.535 -7.511 1.00 0.00 C ATOM 232 C MET A 34 -0.969 7.624 -6.568 1.00 0.00 C ATOM 233 O MET A 34 0.108 7.160 -6.882 1.00 0.00 O ATOM 234 CB MET A 34 -2.148 7.783 -8.775 1.00 0.00 C ATOM 235 CG MET A 34 -3.402 6.945 -8.522 1.00 0.00 C ATOM 236 SD MET A 34 -3.033 5.618 -7.348 1.00 0.00 S ATOM 237 CE MET A 34 -1.927 4.657 -8.409 1.00 0.00 C ATOM 0 H MET A 34 0.063 9.656 -7.486 1.00 0.00 H new ATOM 0 HA MET A 34 -2.647 8.885 -7.007 1.00 0.00 H new ATOM 0 HB2 MET A 34 -2.333 8.491 -9.583 1.00 0.00 H new ATOM 0 HB3 MET A 34 -1.331 7.138 -9.097 1.00 0.00 H new ATOM 0 HG2 MET A 34 -4.199 7.577 -8.130 1.00 0.00 H new ATOM 0 HG3 MET A 34 -3.762 6.522 -9.460 1.00 0.00 H new ATOM 0 HE1 MET A 34 -1.564 3.787 -7.862 1.00 0.00 H new ATOM 0 HE2 MET A 34 -2.468 4.329 -9.296 1.00 0.00 H new ATOM 0 HE3 MET A 34 -1.081 5.276 -8.709 1.00 0.00 H new ATOM 238 N SER A 35 -1.504 7.373 -5.409 1.00 0.00 N ATOM 239 CA SER A 35 -0.793 6.507 -4.438 1.00 0.00 C ATOM 240 C SER A 35 -1.536 5.205 -4.328 1.00 0.00 C ATOM 241 O SER A 35 -2.674 5.119 -4.736 1.00 0.00 O ATOM 242 CB SER A 35 -0.777 7.180 -3.078 1.00 0.00 C ATOM 243 OG SER A 35 0.017 8.358 -3.136 1.00 0.00 O ATOM 0 H SER A 35 -2.405 7.732 -5.093 1.00 0.00 H new ATOM 0 HA SER A 35 0.230 6.336 -4.772 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.793 7.429 -2.773 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.378 6.497 -2.328 1.00 0.00 H new ATOM 0 HG SER A 35 0.739 8.299 -2.476 1.00 0.00 H new ATOM 244 N TRP A 36 -0.957 4.160 -3.804 1.00 0.00 N ATOM 245 CA TRP A 36 -1.783 2.946 -3.779 1.00 0.00 C ATOM 246 C TRP A 36 -1.162 1.753 -3.032 1.00 0.00 C ATOM 247 O TRP A 36 0.050 1.657 -2.806 1.00 0.00 O ATOM 248 CB TRP A 36 -2.104 2.622 -5.234 1.00 0.00 C ATOM 249 CG TRP A 36 -1.169 1.647 -5.805 1.00 0.00 C ATOM 250 CD1 TRP A 36 0.024 1.939 -6.355 1.00 0.00 C ATOM 251 CD2 TRP A 36 -1.369 0.226 -5.942 1.00 0.00 C ATOM 252 NE1 TRP A 36 0.568 0.781 -6.839 1.00 0.00 N ATOM 253 CE2 TRP A 36 -0.251 -0.322 -6.593 1.00 0.00 C ATOM 254 CE3 TRP A 36 -2.411 -0.636 -5.552 1.00 0.00 C ATOM 255 CZ2 TRP A 36 -0.175 -1.695 -6.858 1.00 0.00 C ATOM 256 CZ3 TRP A 36 -2.335 -2.001 -5.811 1.00 0.00 C ATOM 257 CH2 TRP A 36 -1.225 -2.532 -6.461 1.00 0.00 C ATOM 0 H TRP A 36 -0.014 4.100 -3.420 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.685 3.139 -3.199 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.119 2.232 -5.302 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.075 3.539 -5.823 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.475 2.919 -6.406 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.465 0.730 -7.322 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.277 -0.234 -5.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.686 -2.105 -7.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.141 -2.652 -5.506 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.173 -3.592 -6.660 1.00 0.00 H new ATOM 258 N VAL A 37 -2.070 0.872 -2.641 1.00 0.00 N ATOM 259 CA VAL A 37 -1.775 -0.373 -1.869 1.00 0.00 C ATOM 260 C VAL A 37 -2.316 -0.165 -0.438 1.00 0.00 C ATOM 261 O VAL A 37 -2.966 0.816 -0.224 1.00 0.00 O ATOM 262 CB VAL A 37 -0.277 -0.687 -1.892 1.00 0.00 C ATOM 263 CG1 VAL A 37 -0.030 -2.019 -1.216 1.00 0.00 C ATOM 264 CG2 VAL A 37 0.197 -0.800 -3.336 1.00 0.00 C ATOM 0 H VAL A 37 -3.063 0.986 -2.846 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.264 -1.238 -2.317 1.00 0.00 H new ATOM 0 HB VAL A 37 0.259 0.109 -1.375 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.037 -2.243 -1.232 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.375 -1.972 -0.183 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.573 -2.802 -1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.264 -1.024 -3.352 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.349 -1.600 -3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.016 0.142 -3.853 1.00 0.00 H new ATOM 265 N ARG A 38 -2.084 -1.076 0.512 1.00 0.00 N ATOM 266 CA ARG A 38 -2.579 -0.937 1.930 1.00 0.00 C ATOM 267 C ARG A 38 -3.506 -2.090 2.342 1.00 0.00 C ATOM 268 O ARG A 38 -4.702 -1.917 2.470 1.00 0.00 O ATOM 269 CB ARG A 38 -3.296 0.395 2.212 1.00 0.00 C ATOM 270 CG ARG A 38 -2.278 1.432 2.706 1.00 0.00 C ATOM 271 CD ARG A 38 -1.617 2.137 1.519 1.00 0.00 C ATOM 272 NE ARG A 38 -2.625 2.969 0.806 1.00 0.00 N ATOM 273 CZ ARG A 38 -3.400 3.774 1.478 1.00 0.00 C ATOM 274 NH1 ARG A 38 -2.890 4.568 2.379 1.00 0.00 N ATOM 275 NH2 ARG A 38 -4.683 3.787 1.247 1.00 0.00 N ATOM 0 H ARG A 38 -1.555 -1.932 0.346 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.669 -0.965 2.530 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.787 0.754 1.307 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.075 0.249 2.961 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.775 2.165 3.342 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.518 0.943 3.316 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.795 2.763 1.867 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.191 1.401 0.837 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.709 2.909 -0.209 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.886 4.559 2.557 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.496 5.198 2.905 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.080 3.168 0.541 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.289 4.417 1.773 1.00 0.00 H new ATOM 276 N GLN A 39 -2.947 -3.243 2.624 1.00 0.00 N ATOM 277 CA GLN A 39 -3.762 -4.393 3.112 1.00 0.00 C ATOM 278 C GLN A 39 -2.878 -5.639 3.169 1.00 0.00 C ATOM 279 O GLN A 39 -1.755 -5.628 2.709 1.00 0.00 O ATOM 280 CB GLN A 39 -4.959 -4.634 2.199 1.00 0.00 C ATOM 281 CG GLN A 39 -6.166 -5.034 3.054 1.00 0.00 C ATOM 282 CD GLN A 39 -6.437 -3.951 4.101 1.00 0.00 C ATOM 283 OE1 GLN A 39 -6.628 -2.799 3.768 1.00 0.00 O ATOM 284 NE2 GLN A 39 -6.461 -4.277 5.365 1.00 0.00 N ATOM 0 H GLN A 39 -1.949 -3.435 2.535 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.142 -4.166 4.108 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.184 -3.733 1.628 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.731 -5.420 1.479 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.043 -5.170 2.421 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.976 -5.989 3.545 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.301 -5.245 5.645 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.640 -3.564 6.072 1.00 0.00 H new ATOM 285 N ALA A 40 -3.362 -6.703 3.749 1.00 0.00 N ATOM 286 CA ALA A 40 -2.542 -7.937 3.851 1.00 0.00 C ATOM 287 C ALA A 40 -3.284 -8.954 4.726 1.00 0.00 C ATOM 288 O ALA A 40 -4.329 -8.653 5.267 1.00 0.00 O ATOM 289 CB ALA A 40 -1.203 -7.581 4.497 1.00 0.00 C ATOM 0 H ALA A 40 -4.294 -6.768 4.157 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.371 -8.365 2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.589 -8.478 4.579 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.687 -6.843 3.883 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.377 -7.168 5.491 1.00 0.00 H new ATOM 290 N PRO A 41 -2.714 -10.124 4.854 1.00 0.00 N ATOM 291 CA PRO A 41 -3.296 -11.201 5.681 1.00 0.00 C ATOM 292 C PRO A 41 -3.141 -10.817 7.159 1.00 0.00 C ATOM 293 O PRO A 41 -3.680 -9.819 7.596 1.00 0.00 O ATOM 294 CB PRO A 41 -2.464 -12.433 5.285 1.00 0.00 C ATOM 295 CG PRO A 41 -1.139 -11.898 4.699 1.00 0.00 C ATOM 296 CD PRO A 41 -1.436 -10.477 4.200 1.00 0.00 C ATOM 0 HA PRO A 41 -4.360 -11.384 5.531 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.277 -13.069 6.150 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.995 -13.040 4.552 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.354 -11.889 5.455 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.789 -12.532 3.884 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.642 -9.783 4.477 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.522 -10.446 3.114 1.00 0.00 H new ATOM 297 N GLY A 42 -2.370 -11.540 7.928 1.00 0.00 N ATOM 298 CA GLY A 42 -2.161 -11.127 9.342 1.00 0.00 C ATOM 299 C GLY A 42 -1.040 -10.087 9.341 1.00 0.00 C ATOM 300 O GLY A 42 -0.551 -9.668 10.371 1.00 0.00 O ATOM 0 H GLY A 42 -1.882 -12.388 7.641 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.076 -10.708 9.761 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.892 -11.984 9.959 1.00 0.00 H new ATOM 301 N LYS A 43 -0.633 -9.682 8.163 1.00 0.00 N ATOM 302 CA LYS A 43 0.446 -8.688 8.012 1.00 0.00 C ATOM 303 C LYS A 43 -0.141 -7.279 8.067 1.00 0.00 C ATOM 304 O LYS A 43 0.458 -6.333 7.596 1.00 0.00 O ATOM 305 CB LYS A 43 1.083 -8.911 6.640 1.00 0.00 C ATOM 306 CG LYS A 43 2.456 -8.239 6.594 1.00 0.00 C ATOM 307 CD LYS A 43 3.471 -9.185 5.948 1.00 0.00 C ATOM 308 CE LYS A 43 4.880 -8.826 6.428 1.00 0.00 C ATOM 309 NZ LYS A 43 5.155 -9.515 7.721 1.00 0.00 N ATOM 0 H LYS A 43 -1.023 -10.016 7.282 1.00 0.00 H new ATOM 0 HA LYS A 43 1.181 -8.796 8.810 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.183 -9.979 6.444 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.441 -8.502 5.860 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.398 -7.310 6.027 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.778 -7.978 7.602 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.239 -10.218 6.208 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.415 -9.109 4.862 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.617 -9.123 5.682 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.969 -7.747 6.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.112 -9.271 8.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.459 -9.211 8.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.086 -10.544 7.587 1.00 0.00 H new ATOM 310 N GLU A 44 -1.311 -7.133 8.625 1.00 0.00 N ATOM 311 CA GLU A 44 -1.938 -5.783 8.686 1.00 0.00 C ATOM 312 C GLU A 44 -1.800 -5.128 7.320 1.00 0.00 C ATOM 313 O GLU A 44 -1.391 -5.754 6.364 1.00 0.00 O ATOM 314 CB GLU A 44 -1.256 -4.942 9.777 1.00 0.00 C ATOM 315 CG GLU A 44 0.037 -4.302 9.252 1.00 0.00 C ATOM 316 CD GLU A 44 0.479 -3.198 10.213 1.00 0.00 C ATOM 317 OE1 GLU A 44 -0.371 -2.432 10.636 1.00 0.00 O ATOM 318 OE2 GLU A 44 1.661 -3.136 10.511 1.00 0.00 O ATOM 0 H GLU A 44 -1.858 -7.887 9.040 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.995 -5.862 8.940 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.938 -4.164 10.120 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.031 -5.571 10.638 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.819 -5.056 9.161 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.126 -3.890 8.256 1.00 0.00 H new ATOM 319 N ARG A 45 -2.147 -3.884 7.203 1.00 0.00 N ATOM 320 CA ARG A 45 -2.023 -3.230 5.870 1.00 0.00 C ATOM 321 C ARG A 45 -0.621 -3.434 5.338 1.00 0.00 C ATOM 322 O ARG A 45 0.192 -4.126 5.920 1.00 0.00 O ATOM 323 CB ARG A 45 -2.253 -1.727 5.953 1.00 0.00 C ATOM 324 CG ARG A 45 -3.653 -1.385 5.451 1.00 0.00 C ATOM 325 CD ARG A 45 -4.129 -0.089 6.101 1.00 0.00 C ATOM 326 NE ARG A 45 -5.422 -0.329 6.804 1.00 0.00 N ATOM 327 CZ ARG A 45 -6.552 -0.121 6.184 1.00 0.00 C ATOM 328 NH1 ARG A 45 -6.584 -0.086 4.879 1.00 0.00 N ATOM 329 NH2 ARG A 45 -7.650 0.049 6.868 1.00 0.00 N ATOM 0 H ARG A 45 -2.506 -3.296 7.955 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.775 -3.679 5.221 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.134 -1.389 6.982 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.506 -1.203 5.357 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.645 -1.278 4.366 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.342 -2.196 5.686 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.381 0.272 6.807 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.253 0.685 5.344 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.424 -0.656 7.770 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.726 -0.221 4.344 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.467 0.076 4.395 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.626 0.019 7.887 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.533 0.212 6.383 1.00 0.00 H new ATOM 330 N GLU A 46 -0.333 -2.813 4.238 1.00 0.00 N ATOM 331 CA GLU A 46 1.007 -2.932 3.637 1.00 0.00 C ATOM 332 C GLU A 46 0.990 -2.191 2.313 1.00 0.00 C ATOM 333 O GLU A 46 0.411 -2.654 1.354 1.00 0.00 O ATOM 334 CB GLU A 46 1.322 -4.404 3.391 1.00 0.00 C ATOM 335 CG GLU A 46 2.835 -4.591 3.257 1.00 0.00 C ATOM 336 CD GLU A 46 3.129 -5.954 2.629 1.00 0.00 C ATOM 337 OE1 GLU A 46 2.944 -6.951 3.309 1.00 0.00 O ATOM 338 OE2 GLU A 46 3.533 -5.980 1.479 1.00 0.00 O ATOM 0 H GLU A 46 -0.983 -2.219 3.724 1.00 0.00 H new ATOM 0 HA GLU A 46 1.764 -2.513 4.300 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.942 -5.010 4.214 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.822 -4.747 2.485 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.257 -3.797 2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.309 -4.521 4.236 1.00 0.00 H new ATOM 339 N ILE A 47 1.605 -1.042 2.252 1.00 0.00 N ATOM 340 CA ILE A 47 1.615 -0.281 0.976 1.00 0.00 C ATOM 341 C ILE A 47 2.659 -0.896 0.060 1.00 0.00 C ATOM 342 O ILE A 47 3.446 -1.728 0.464 1.00 0.00 O ATOM 343 CB ILE A 47 1.991 1.190 1.229 1.00 0.00 C ATOM 344 CG1 ILE A 47 1.478 2.060 0.060 1.00 0.00 C ATOM 345 CG2 ILE A 47 3.513 1.321 1.349 1.00 0.00 C ATOM 346 CD1 ILE A 47 2.617 2.429 -0.925 1.00 0.00 C ATOM 0 H ILE A 47 2.098 -0.601 3.028 1.00 0.00 H new ATOM 0 HA ILE A 47 0.623 -0.322 0.525 1.00 0.00 H new ATOM 0 HB ILE A 47 1.532 1.528 2.158 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.694 1.524 -0.475 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.029 2.971 0.455 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.775 2.364 1.528 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.866 0.710 2.180 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.981 0.983 0.425 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.216 3.041 -1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.389 2.988 -0.396 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.048 1.518 -1.340 1.00 0.00 H new ATOM 347 N VAL A 48 2.706 -0.457 -1.149 1.00 0.00 N ATOM 348 CA VAL A 48 3.736 -0.969 -2.063 1.00 0.00 C ATOM 349 C VAL A 48 4.300 0.203 -2.845 1.00 0.00 C ATOM 350 O VAL A 48 5.475 0.248 -3.129 1.00 0.00 O ATOM 351 CB VAL A 48 3.171 -2.011 -3.016 1.00 0.00 C ATOM 352 CG1 VAL A 48 4.316 -2.535 -3.880 1.00 0.00 C ATOM 353 CG2 VAL A 48 2.578 -3.172 -2.213 1.00 0.00 C ATOM 0 H VAL A 48 2.073 0.237 -1.546 1.00 0.00 H new ATOM 0 HA VAL A 48 4.519 -1.456 -1.482 1.00 0.00 H new ATOM 0 HB VAL A 48 2.392 -1.569 -3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.935 -3.285 -4.573 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.754 -1.711 -4.443 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.077 -2.984 -3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.173 -3.918 -2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.357 -3.626 -1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.781 -2.800 -1.569 1.00 0.00 H new ATOM 354 N SER A 49 3.505 1.184 -3.189 1.00 0.00 N ATOM 355 CA SER A 49 4.122 2.307 -3.932 1.00 0.00 C ATOM 356 C SER A 49 3.115 3.384 -4.299 1.00 0.00 C ATOM 357 O SER A 49 1.919 3.161 -4.369 1.00 0.00 O ATOM 358 CB SER A 49 4.769 1.764 -5.203 1.00 0.00 C ATOM 359 OG SER A 49 6.164 2.038 -5.175 1.00 0.00 O ATOM 0 H SER A 49 2.506 1.252 -2.997 1.00 0.00 H new ATOM 0 HA SER A 49 4.866 2.767 -3.282 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.599 0.690 -5.281 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.314 2.223 -6.081 1.00 0.00 H new ATOM 0 HG SER A 49 6.310 2.965 -4.891 1.00 0.00 H new ATOM 360 N ALA A 50 3.614 4.562 -4.540 1.00 0.00 N ATOM 361 CA ALA A 50 2.720 5.689 -4.919 1.00 0.00 C ATOM 362 C ALA A 50 3.537 6.788 -5.612 1.00 0.00 C ATOM 363 O ALA A 50 4.746 6.714 -5.701 1.00 0.00 O ATOM 364 CB ALA A 50 2.048 6.237 -3.661 1.00 0.00 C ATOM 0 H ALA A 50 4.606 4.794 -4.491 1.00 0.00 H new ATOM 0 HA ALA A 50 1.954 5.339 -5.611 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.391 7.064 -3.930 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.463 5.448 -3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.810 6.591 -2.966 1.00 0.00 H new ATOM 365 N VAL A 51 2.880 7.798 -6.117 1.00 0.00 N ATOM 366 CA VAL A 51 3.603 8.901 -6.819 1.00 0.00 C ATOM 367 C VAL A 51 2.808 10.198 -6.662 1.00 0.00 C ATOM 368 O VAL A 51 1.938 10.499 -7.452 1.00 0.00 O ATOM 369 CB VAL A 51 3.715 8.566 -8.305 1.00 0.00 C ATOM 370 CG1 VAL A 51 2.336 8.168 -8.833 1.00 0.00 C ATOM 371 CG2 VAL A 51 4.214 9.794 -9.066 1.00 0.00 C ATOM 0 H VAL A 51 1.867 7.908 -6.074 1.00 0.00 H new ATOM 0 HA VAL A 51 4.598 9.018 -6.391 1.00 0.00 H new ATOM 0 HB VAL A 51 4.415 7.743 -8.445 1.00 0.00 H new ATOM 0 HG11 VAL A 51 2.408 7.927 -9.894 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.975 7.297 -8.287 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.641 8.996 -8.695 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.295 9.557 -10.127 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.512 10.616 -8.930 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.192 10.086 -8.684 1.00 0.00 H new ATOM 372 N SER A 52 3.087 10.964 -5.648 1.00 0.00 N ATOM 373 CA SER A 52 2.319 12.230 -5.445 1.00 0.00 C ATOM 374 C SER A 52 3.244 13.447 -5.509 1.00 0.00 C ATOM 375 O SER A 52 4.423 13.333 -5.776 1.00 0.00 O ATOM 376 CB SER A 52 1.652 12.192 -4.076 1.00 0.00 C ATOM 377 OG SER A 52 0.435 12.927 -4.123 1.00 0.00 O ATOM 0 H SER A 52 3.808 10.774 -4.952 1.00 0.00 H new ATOM 0 HA SER A 52 1.573 12.314 -6.235 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.456 11.161 -3.783 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.317 12.616 -3.323 1.00 0.00 H new ATOM 0 HG SER A 52 0.251 13.311 -3.241 1.00 0.00 H new ATOM 378 N GLY A 53 2.707 14.614 -5.260 1.00 0.00 N ATOM 379 CA GLY A 53 3.536 15.855 -5.295 1.00 0.00 C ATOM 380 C GLY A 53 4.161 16.009 -6.679 1.00 0.00 C ATOM 381 O GLY A 53 5.329 15.736 -6.875 1.00 0.00 O ATOM 0 H GLY A 53 1.724 14.761 -5.033 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.920 16.724 -5.064 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.316 15.806 -4.535 1.00 0.00 H new ATOM 382 N SER A 54 3.393 16.433 -7.644 1.00 0.00 N ATOM 383 CA SER A 54 3.949 16.586 -9.017 1.00 0.00 C ATOM 384 C SER A 54 4.675 15.296 -9.393 1.00 0.00 C ATOM 385 O SER A 54 5.539 15.278 -10.248 1.00 0.00 O ATOM 386 CB SER A 54 4.931 17.756 -9.048 1.00 0.00 C ATOM 387 OG SER A 54 4.649 18.634 -7.966 1.00 0.00 O ATOM 0 H SER A 54 2.408 16.679 -7.542 1.00 0.00 H new ATOM 0 HA SER A 54 3.144 16.782 -9.725 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.955 17.389 -8.976 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.849 18.289 -9.995 1.00 0.00 H new ATOM 0 HG SER A 54 5.278 19.385 -7.982 1.00 0.00 H new ATOM 388 N GLY A 55 4.327 14.213 -8.752 1.00 0.00 N ATOM 389 CA GLY A 55 4.985 12.915 -9.053 1.00 0.00 C ATOM 390 C GLY A 55 6.262 12.776 -8.221 1.00 0.00 C ATOM 391 O GLY A 55 6.648 11.685 -7.853 1.00 0.00 O ATOM 0 H GLY A 55 3.610 14.174 -8.028 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.305 12.092 -8.832 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.224 12.855 -10.115 1.00 0.00 H new ATOM 392 N GLY A 56 6.921 13.864 -7.916 1.00 0.00 N ATOM 393 CA GLY A 56 8.166 13.770 -7.100 1.00 0.00 C ATOM 394 C GLY A 56 7.918 12.799 -5.946 1.00 0.00 C ATOM 395 O GLY A 56 8.609 11.812 -5.791 1.00 0.00 O ATOM 0 H GLY A 56 6.652 14.808 -8.195 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.996 13.423 -7.715 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.442 14.752 -6.716 1.00 0.00 H new ATOM 396 N SER A 57 6.919 13.062 -5.147 1.00 0.00 N ATOM 397 CA SER A 57 6.609 12.143 -4.019 1.00 0.00 C ATOM 398 C SER A 57 6.505 10.716 -4.559 1.00 0.00 C ATOM 399 O SER A 57 6.059 10.494 -5.668 1.00 0.00 O ATOM 400 CB SER A 57 5.281 12.544 -3.376 1.00 0.00 C ATOM 401 OG SER A 57 5.446 12.619 -1.966 1.00 0.00 O ATOM 0 H SER A 57 6.306 13.873 -5.228 1.00 0.00 H new ATOM 0 HA SER A 57 7.399 12.201 -3.270 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.950 13.506 -3.767 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.509 11.816 -3.625 1.00 0.00 H new ATOM 0 HG SER A 57 4.597 12.878 -1.551 1.00 0.00 H new ATOM 402 N THR A 58 6.907 9.747 -3.785 1.00 0.00 N ATOM 403 CA THR A 58 6.836 8.338 -4.254 1.00 0.00 C ATOM 404 C THR A 58 6.781 7.427 -3.037 1.00 0.00 C ATOM 405 O THR A 58 7.281 7.759 -1.981 1.00 0.00 O ATOM 406 CB THR A 58 8.083 8.002 -5.076 1.00 0.00 C ATOM 407 OG1 THR A 58 9.244 8.373 -4.348 1.00 0.00 O ATOM 408 CG2 THR A 58 8.045 8.764 -6.402 1.00 0.00 C ATOM 0 H THR A 58 7.283 9.872 -2.845 1.00 0.00 H new ATOM 0 HA THR A 58 5.950 8.199 -4.874 1.00 0.00 H new ATOM 0 HB THR A 58 8.107 6.931 -5.276 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.043 8.156 -4.873 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.934 8.523 -6.986 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.155 8.477 -6.961 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.020 9.836 -6.205 1.00 0.00 H new ATOM 409 N TYR A 59 6.180 6.285 -3.165 1.00 0.00 N ATOM 410 CA TYR A 59 6.106 5.377 -2.000 1.00 0.00 C ATOM 411 C TYR A 59 6.613 3.996 -2.382 1.00 0.00 C ATOM 412 O TYR A 59 6.649 3.638 -3.545 1.00 0.00 O ATOM 413 CB TYR A 59 4.684 5.301 -1.503 1.00 0.00 C ATOM 414 CG TYR A 59 4.686 5.634 -0.044 1.00 0.00 C ATOM 415 CD1 TYR A 59 4.776 6.967 0.369 1.00 0.00 C ATOM 416 CD2 TYR A 59 4.607 4.607 0.891 1.00 0.00 C ATOM 417 CE1 TYR A 59 4.785 7.269 1.738 1.00 0.00 C ATOM 418 CE2 TYR A 59 4.616 4.901 2.256 1.00 0.00 C ATOM 419 CZ TYR A 59 4.702 6.233 2.682 1.00 0.00 C ATOM 420 OH TYR A 59 4.708 6.527 4.030 1.00 0.00 O ATOM 0 H TYR A 59 5.740 5.943 -4.019 1.00 0.00 H new ATOM 0 HA TYR A 59 6.736 5.766 -1.200 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.051 5.998 -2.052 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.276 4.303 -1.666 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.838 7.759 -0.362 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.539 3.581 0.561 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.856 8.296 2.066 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.557 4.103 2.982 1.00 0.00 H new ATOM 0 HH TYR A 59 4.643 5.697 4.546 1.00 0.00 H new ATOM 421 N TYR A 60 7.063 3.253 -1.402 1.00 0.00 N ATOM 422 CA TYR A 60 7.650 1.906 -1.656 1.00 0.00 C ATOM 423 C TYR A 60 7.411 0.987 -0.452 1.00 0.00 C ATOM 424 O TYR A 60 8.331 0.671 0.274 1.00 0.00 O ATOM 425 CB TYR A 60 9.164 2.060 -1.814 1.00 0.00 C ATOM 426 CG TYR A 60 9.484 2.949 -2.987 1.00 0.00 C ATOM 427 CD1 TYR A 60 9.216 4.318 -2.915 1.00 0.00 C ATOM 428 CD2 TYR A 60 10.065 2.407 -4.134 1.00 0.00 C ATOM 429 CE1 TYR A 60 9.528 5.150 -3.996 1.00 0.00 C ATOM 430 CE2 TYR A 60 10.376 3.234 -5.218 1.00 0.00 C ATOM 431 CZ TYR A 60 10.108 4.607 -5.149 1.00 0.00 C ATOM 432 OH TYR A 60 10.418 5.425 -6.216 1.00 0.00 O ATOM 0 H TYR A 60 7.047 3.530 -0.420 1.00 0.00 H new ATOM 0 HA TYR A 60 7.189 1.482 -2.548 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.590 2.482 -0.904 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.622 1.081 -1.956 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.768 4.734 -2.025 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.275 1.349 -4.185 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.322 6.209 -3.941 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.822 2.814 -6.107 1.00 0.00 H new ATOM 0 HH TYR A 60 10.815 4.889 -6.934 1.00 0.00 H new ATOM 433 N ALA A 61 6.207 0.549 -0.227 1.00 0.00 N ATOM 434 CA ALA A 61 5.969 -0.351 0.942 1.00 0.00 C ATOM 435 C ALA A 61 6.670 0.226 2.177 1.00 0.00 C ATOM 436 O ALA A 61 6.709 1.425 2.368 1.00 0.00 O ATOM 437 CB ALA A 61 6.520 -1.739 0.630 1.00 0.00 C ATOM 0 H ALA A 61 5.385 0.768 -0.790 1.00 0.00 H new ATOM 0 HA ALA A 61 4.900 -0.426 1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.348 -2.398 1.481 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.016 -2.141 -0.249 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.590 -1.670 0.435 1.00 0.00 H new ATOM 438 N ASP A 62 7.221 -0.607 3.022 1.00 0.00 N ATOM 439 CA ASP A 62 7.905 -0.079 4.237 1.00 0.00 C ATOM 440 C ASP A 62 9.323 -0.656 4.347 1.00 0.00 C ATOM 441 O ASP A 62 10.281 0.069 4.521 1.00 0.00 O ATOM 442 CB ASP A 62 7.100 -0.465 5.480 1.00 0.00 C ATOM 443 CG ASP A 62 5.981 0.556 5.700 1.00 0.00 C ATOM 444 OD1 ASP A 62 6.232 1.732 5.494 1.00 0.00 O ATOM 445 OD2 ASP A 62 4.894 0.146 6.069 1.00 0.00 O ATOM 0 H ASP A 62 7.227 -1.622 2.923 1.00 0.00 H new ATOM 0 HA ASP A 62 7.972 1.006 4.161 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.678 -1.463 5.358 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.752 -0.500 6.353 1.00 0.00 H new ATOM 446 N SER A 63 9.467 -1.953 4.262 1.00 0.00 N ATOM 447 CA SER A 63 10.828 -2.561 4.378 1.00 0.00 C ATOM 448 C SER A 63 11.508 -2.602 3.007 1.00 0.00 C ATOM 449 O SER A 63 12.684 -2.886 2.896 1.00 0.00 O ATOM 450 CB SER A 63 10.704 -3.984 4.918 1.00 0.00 C ATOM 451 OG SER A 63 11.196 -4.025 6.252 1.00 0.00 O ATOM 0 H SER A 63 8.705 -2.616 4.118 1.00 0.00 H new ATOM 0 HA SER A 63 11.428 -1.956 5.057 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.663 -4.306 4.892 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.267 -4.674 4.289 1.00 0.00 H new ATOM 0 HG SER A 63 11.116 -4.937 6.602 1.00 0.00 H new ATOM 452 N VAL A 64 10.781 -2.326 1.964 1.00 0.00 N ATOM 453 CA VAL A 64 11.385 -2.355 0.602 1.00 0.00 C ATOM 454 C VAL A 64 11.741 -0.933 0.169 1.00 0.00 C ATOM 455 O VAL A 64 12.032 -0.687 -0.980 1.00 0.00 O ATOM 456 CB VAL A 64 10.373 -2.932 -0.374 1.00 0.00 C ATOM 457 CG1 VAL A 64 9.872 -4.282 0.145 1.00 0.00 C ATOM 458 CG2 VAL A 64 9.205 -1.962 -0.487 1.00 0.00 C ATOM 0 H VAL A 64 9.791 -2.081 1.994 1.00 0.00 H new ATOM 0 HA VAL A 64 12.286 -2.968 0.614 1.00 0.00 H new ATOM 0 HB VAL A 64 10.835 -3.077 -1.351 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.146 -4.695 -0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.713 -4.969 0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.400 -4.145 1.118 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.468 -2.360 -1.184 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.745 -1.831 0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.565 -0.999 -0.850 1.00 0.00 H new ATOM 459 N LYS A 65 11.716 0.005 1.077 1.00 0.00 N ATOM 460 CA LYS A 65 12.052 1.409 0.701 1.00 0.00 C ATOM 461 C LYS A 65 13.292 1.409 -0.200 1.00 0.00 C ATOM 462 O LYS A 65 14.214 0.643 0.000 1.00 0.00 O ATOM 463 CB LYS A 65 12.318 2.233 1.969 1.00 0.00 C ATOM 464 CG LYS A 65 13.752 2.006 2.462 1.00 0.00 C ATOM 465 CD LYS A 65 13.928 0.549 2.898 1.00 0.00 C ATOM 466 CE LYS A 65 13.026 0.258 4.099 1.00 0.00 C ATOM 467 NZ LYS A 65 13.863 0.109 5.323 1.00 0.00 N ATOM 0 H LYS A 65 11.479 -0.139 2.059 1.00 0.00 H new ATOM 0 HA LYS A 65 11.217 1.855 0.161 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.161 3.292 1.762 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.610 1.952 2.748 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.461 2.246 1.669 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.969 2.673 3.296 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.680 -0.120 2.074 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.969 0.361 3.159 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.308 1.067 4.233 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.452 -0.652 3.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.251 -0.089 6.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 14.532 -0.677 5.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.392 0.989 5.491 1.00 0.00 H new ATOM 468 N GLY A 66 13.323 2.256 -1.193 1.00 0.00 N ATOM 469 CA GLY A 66 14.504 2.291 -2.101 1.00 0.00 C ATOM 470 C GLY A 66 14.739 0.892 -2.673 1.00 0.00 C ATOM 471 O GLY A 66 15.846 0.521 -3.006 1.00 0.00 O ATOM 0 H GLY A 66 12.584 2.923 -1.414 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.336 3.004 -2.908 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.386 2.628 -1.557 1.00 0.00 H new ATOM 472 N ARG A 67 13.699 0.111 -2.781 1.00 0.00 N ATOM 473 CA ARG A 67 13.846 -1.267 -3.323 1.00 0.00 C ATOM 474 C ARG A 67 12.517 -1.714 -3.945 1.00 0.00 C ATOM 475 O ARG A 67 12.289 -2.883 -4.183 1.00 0.00 O ATOM 476 CB ARG A 67 14.226 -2.214 -2.183 1.00 0.00 C ATOM 477 CG ARG A 67 14.227 -3.649 -2.698 1.00 0.00 C ATOM 478 CD ARG A 67 15.492 -4.362 -2.218 1.00 0.00 C ATOM 479 NE ARG A 67 15.733 -5.563 -3.065 1.00 0.00 N ATOM 480 CZ ARG A 67 16.823 -6.263 -2.908 1.00 0.00 C ATOM 481 NH1 ARG A 67 17.916 -5.687 -2.487 1.00 0.00 N ATOM 482 NH2 ARG A 67 16.820 -7.541 -3.170 1.00 0.00 N ATOM 0 H ARG A 67 12.749 0.371 -2.515 1.00 0.00 H new ATOM 0 HA ARG A 67 14.624 -1.284 -4.087 1.00 0.00 H new ATOM 0 HB2 ARG A 67 15.210 -1.955 -1.793 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.519 -2.112 -1.359 1.00 0.00 H new ATOM 0 HG2 ARG A 67 13.342 -4.176 -2.341 1.00 0.00 H new ATOM 0 HG3 ARG A 67 14.184 -3.656 -3.787 1.00 0.00 H new ATOM 0 HD2 ARG A 67 16.346 -3.687 -2.273 1.00 0.00 H new ATOM 0 HD3 ARG A 67 15.384 -4.655 -1.174 1.00 0.00 H new ATOM 0 HE ARG A 67 15.046 -5.838 -3.767 1.00 0.00 H new ATOM 0 HH11 ARG A 67 17.919 -4.688 -2.280 1.00 0.00 H new ATOM 0 HH12 ARG A 67 18.767 -6.236 -2.365 1.00 0.00 H new ATOM 0 HH21 ARG A 67 15.966 -7.992 -3.497 1.00 0.00 H new ATOM 0 HH22 ARG A 67 17.672 -8.089 -3.047 1.00 0.00 H new ATOM 483 N PHE A 68 11.647 -0.781 -4.222 1.00 0.00 N ATOM 484 CA PHE A 68 10.328 -1.110 -4.839 1.00 0.00 C ATOM 485 C PHE A 68 10.149 -0.176 -6.036 1.00 0.00 C ATOM 486 O PHE A 68 10.939 0.725 -6.229 1.00 0.00 O ATOM 487 CB PHE A 68 9.223 -0.834 -3.821 1.00 0.00 C ATOM 488 CG PHE A 68 8.618 -2.118 -3.311 1.00 0.00 C ATOM 489 CD1 PHE A 68 9.316 -3.328 -3.396 1.00 0.00 C ATOM 490 CD2 PHE A 68 7.345 -2.088 -2.738 1.00 0.00 C ATOM 491 CE1 PHE A 68 8.734 -4.499 -2.908 1.00 0.00 C ATOM 492 CE2 PHE A 68 6.766 -3.257 -2.250 1.00 0.00 C ATOM 493 CZ PHE A 68 7.460 -4.461 -2.333 1.00 0.00 C ATOM 0 H PHE A 68 11.796 0.212 -4.044 1.00 0.00 H new ATOM 0 HA PHE A 68 10.284 -2.155 -5.145 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.629 -0.263 -2.986 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.447 -0.220 -4.280 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.301 -3.356 -3.838 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.807 -1.154 -2.673 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.268 -5.435 -2.975 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.781 -3.229 -1.808 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.013 -5.368 -1.952 1.00 0.00 H new ATOM 494 N THR A 69 9.142 -0.350 -6.850 1.00 0.00 N ATOM 495 CA THR A 69 9.009 0.587 -8.001 1.00 0.00 C ATOM 496 C THR A 69 7.543 0.823 -8.367 1.00 0.00 C ATOM 497 O THR A 69 6.819 -0.088 -8.714 1.00 0.00 O ATOM 498 CB THR A 69 9.734 0.006 -9.211 1.00 0.00 C ATOM 499 OG1 THR A 69 9.855 1.004 -10.214 1.00 0.00 O ATOM 500 CG2 THR A 69 8.930 -1.171 -9.750 1.00 0.00 C ATOM 0 H THR A 69 8.428 -1.075 -6.773 1.00 0.00 H new ATOM 0 HA THR A 69 9.449 1.541 -7.711 1.00 0.00 H new ATOM 0 HB THR A 69 10.729 -0.332 -8.922 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.322 0.632 -10.991 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.440 -1.594 -10.616 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.837 -1.933 -8.976 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.938 -0.829 -10.044 1.00 0.00 H new ATOM 501 N ILE A 70 7.121 2.057 -8.335 1.00 0.00 N ATOM 502 CA ILE A 70 5.725 2.388 -8.725 1.00 0.00 C ATOM 503 C ILE A 70 5.673 2.435 -10.249 1.00 0.00 C ATOM 504 O ILE A 70 5.825 3.478 -10.851 1.00 0.00 O ATOM 505 CB ILE A 70 5.361 3.757 -8.163 1.00 0.00 C ATOM 506 CG1 ILE A 70 4.018 4.216 -8.741 1.00 0.00 C ATOM 507 CG2 ILE A 70 6.451 4.739 -8.559 1.00 0.00 C ATOM 508 CD1 ILE A 70 2.883 3.427 -8.087 1.00 0.00 C ATOM 0 H ILE A 70 7.690 2.855 -8.053 1.00 0.00 H new ATOM 0 HA ILE A 70 5.026 1.646 -8.339 1.00 0.00 H new ATOM 0 HB ILE A 70 5.275 3.706 -7.078 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.881 5.283 -8.566 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.004 4.066 -9.820 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.211 5.727 -8.167 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.405 4.408 -8.149 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.520 4.787 -9.646 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.928 3.754 -8.499 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.018 2.364 -8.285 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.893 3.600 -7.011 1.00 0.00 H new ATOM 509 N SER A 71 5.478 1.312 -10.886 1.00 0.00 N ATOM 510 CA SER A 71 5.442 1.313 -12.375 1.00 0.00 C ATOM 511 C SER A 71 4.076 1.811 -12.828 1.00 0.00 C ATOM 512 O SER A 71 3.097 1.654 -12.131 1.00 0.00 O ATOM 513 CB SER A 71 5.675 -0.106 -12.893 1.00 0.00 C ATOM 514 OG SER A 71 6.946 -0.170 -13.529 1.00 0.00 O ATOM 0 H SER A 71 5.343 0.403 -10.444 1.00 0.00 H new ATOM 0 HA SER A 71 6.222 1.965 -12.768 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.631 -0.818 -12.069 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.889 -0.383 -13.596 1.00 0.00 H new ATOM 0 HG SER A 71 7.100 -1.079 -13.861 1.00 0.00 H new ATOM 515 N ARG A 72 3.977 2.415 -13.978 1.00 0.00 N ATOM 516 CA ARG A 72 2.637 2.891 -14.392 1.00 0.00 C ATOM 517 C ARG A 72 2.392 2.668 -15.884 1.00 0.00 C ATOM 518 O ARG A 72 3.288 2.351 -16.640 1.00 0.00 O ATOM 519 CB ARG A 72 2.459 4.373 -14.050 1.00 0.00 C ATOM 520 CG ARG A 72 2.972 4.649 -12.633 1.00 0.00 C ATOM 521 CD ARG A 72 2.021 5.617 -11.925 1.00 0.00 C ATOM 522 NE ARG A 72 2.345 7.020 -12.314 1.00 0.00 N ATOM 523 CZ ARG A 72 3.587 7.380 -12.502 1.00 0.00 C ATOM 524 NH1 ARG A 72 4.402 7.472 -11.487 1.00 0.00 N ATOM 525 NH2 ARG A 72 4.015 7.640 -13.706 1.00 0.00 N ATOM 0 H ARG A 72 4.742 2.594 -14.629 1.00 0.00 H new ATOM 0 HA ARG A 72 1.903 2.306 -13.839 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.001 4.988 -14.768 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.407 4.648 -14.125 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.043 3.717 -12.072 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.975 5.073 -12.674 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.989 5.386 -12.189 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.107 5.501 -10.845 1.00 0.00 H new ATOM 0 HE ARG A 72 1.595 7.701 -12.434 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.070 7.263 -10.546 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.371 7.753 -11.635 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.380 7.562 -14.501 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.984 7.921 -13.853 1.00 0.00 H new ATOM 526 N ASP A 73 1.162 2.830 -16.300 1.00 0.00 N ATOM 527 CA ASP A 73 0.807 2.629 -17.726 1.00 0.00 C ATOM 528 C ASP A 73 -0.143 3.759 -18.152 1.00 0.00 C ATOM 529 O ASP A 73 -1.355 3.648 -18.065 1.00 0.00 O ATOM 530 CB ASP A 73 0.128 1.269 -17.869 1.00 0.00 C ATOM 531 CG ASP A 73 0.807 0.467 -18.977 1.00 0.00 C ATOM 532 OD1 ASP A 73 2.006 0.622 -19.143 1.00 0.00 O ATOM 533 OD2 ASP A 73 0.120 -0.294 -19.636 1.00 0.00 O ATOM 0 H ASP A 73 0.382 3.097 -15.699 1.00 0.00 H new ATOM 0 HA ASP A 73 1.693 2.650 -18.361 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.183 0.724 -16.927 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.929 1.402 -18.099 1.00 0.00 H new ATOM 534 N ASN A 74 0.429 4.856 -18.570 1.00 0.00 N ATOM 535 CA ASN A 74 -0.357 6.058 -18.978 1.00 0.00 C ATOM 536 C ASN A 74 -1.480 5.725 -19.977 1.00 0.00 C ATOM 537 O ASN A 74 -2.647 5.762 -19.645 1.00 0.00 O ATOM 538 CB ASN A 74 0.597 7.051 -19.638 1.00 0.00 C ATOM 539 CG ASN A 74 -0.127 8.377 -19.874 1.00 0.00 C ATOM 540 OD1 ASN A 74 -0.459 9.077 -18.937 1.00 0.00 O ATOM 541 ND2 ASN A 74 -0.388 8.756 -21.094 1.00 0.00 N ATOM 0 H ASN A 74 1.439 4.972 -18.648 1.00 0.00 H new ATOM 0 HA ASN A 74 -0.824 6.469 -18.083 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.469 7.209 -19.004 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.959 6.649 -20.584 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -0.870 9.639 -21.262 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.110 8.169 -21.881 1.00 0.00 H new ATOM 542 N SER A 75 -1.139 5.459 -21.212 1.00 0.00 N ATOM 543 CA SER A 75 -2.193 5.189 -22.242 1.00 0.00 C ATOM 544 C SER A 75 -2.713 3.751 -22.157 1.00 0.00 C ATOM 545 O SER A 75 -2.980 3.124 -23.163 1.00 0.00 O ATOM 546 CB SER A 75 -1.607 5.427 -23.634 1.00 0.00 C ATOM 547 OG SER A 75 -0.777 6.580 -23.603 1.00 0.00 O ATOM 0 H SER A 75 -0.179 5.417 -21.553 1.00 0.00 H new ATOM 0 HA SER A 75 -3.029 5.863 -22.055 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.031 4.558 -23.952 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.408 5.561 -24.361 1.00 0.00 H new ATOM 0 HG SER A 75 -0.398 6.735 -24.494 1.00 0.00 H new ATOM 548 N LYS A 76 -2.873 3.226 -20.978 1.00 0.00 N ATOM 549 CA LYS A 76 -3.391 1.835 -20.856 1.00 0.00 C ATOM 550 C LYS A 76 -4.466 1.785 -19.769 1.00 0.00 C ATOM 551 O LYS A 76 -5.031 0.747 -19.490 1.00 0.00 O ATOM 552 CB LYS A 76 -2.248 0.896 -20.495 1.00 0.00 C ATOM 553 CG LYS A 76 -1.108 1.071 -21.508 1.00 0.00 C ATOM 554 CD LYS A 76 -0.204 2.240 -21.089 1.00 0.00 C ATOM 555 CE LYS A 76 1.211 2.008 -21.620 1.00 0.00 C ATOM 556 NZ LYS A 76 2.047 3.210 -21.340 1.00 0.00 N ATOM 0 H LYS A 76 -2.669 3.696 -20.096 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.825 1.523 -21.806 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.891 1.110 -19.488 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.596 -0.137 -20.497 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.523 0.153 -21.571 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.518 1.256 -22.501 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.601 3.178 -21.478 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.186 2.328 -20.003 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.649 1.129 -21.148 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.182 1.813 -22.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.900 3.186 -21.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.501 4.070 -21.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.324 3.215 -20.337 1.00 0.00 H new ATOM 557 N ASN A 77 -4.762 2.905 -19.166 1.00 0.00 N ATOM 558 CA ASN A 77 -5.804 2.947 -18.120 1.00 0.00 C ATOM 559 C ASN A 77 -5.302 2.331 -16.811 1.00 0.00 C ATOM 560 O ASN A 77 -6.091 1.874 -16.017 1.00 0.00 O ATOM 561 CB ASN A 77 -7.055 2.203 -18.595 1.00 0.00 C ATOM 562 CG ASN A 77 -7.432 2.685 -19.997 1.00 0.00 C ATOM 563 OD1 ASN A 77 -6.606 3.212 -20.716 1.00 0.00 O ATOM 564 ND2 ASN A 77 -8.658 2.526 -20.420 1.00 0.00 N ATOM 0 H ASN A 77 -4.315 3.801 -19.362 1.00 0.00 H new ATOM 0 HA ASN A 77 -6.051 3.992 -17.933 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.871 1.129 -18.605 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.880 2.378 -17.904 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.921 2.844 -21.353 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.352 2.084 -19.817 1.00 0.00 H new ATOM 565 N THR A 78 -4.018 2.329 -16.533 1.00 0.00 N ATOM 566 CA THR A 78 -3.597 1.759 -15.223 1.00 0.00 C ATOM 567 C THR A 78 -2.087 1.836 -15.033 1.00 0.00 C ATOM 568 O THR A 78 -1.336 2.068 -15.954 1.00 0.00 O ATOM 569 CB THR A 78 -4.041 0.304 -15.159 1.00 0.00 C ATOM 570 OG1 THR A 78 -3.480 -0.317 -14.011 1.00 0.00 O ATOM 571 CG2 THR A 78 -3.573 -0.422 -16.420 1.00 0.00 C ATOM 0 H THR A 78 -3.273 2.683 -17.133 1.00 0.00 H new ATOM 0 HA THR A 78 -4.062 2.342 -14.428 1.00 0.00 H new ATOM 0 HB THR A 78 -5.128 0.256 -15.094 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.769 -1.253 -13.971 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.889 -1.464 -16.378 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.010 0.055 -17.298 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.486 -0.375 -16.485 1.00 0.00 H new ATOM 572 N LEU A 79 -1.651 1.626 -13.820 1.00 0.00 N ATOM 573 CA LEU A 79 -0.196 1.659 -13.514 1.00 0.00 C ATOM 574 C LEU A 79 0.156 0.361 -12.787 1.00 0.00 C ATOM 575 O LEU A 79 -0.688 -0.238 -12.186 1.00 0.00 O ATOM 576 CB LEU A 79 0.118 2.865 -12.626 1.00 0.00 C ATOM 577 CG LEU A 79 -0.843 2.885 -11.451 1.00 0.00 C ATOM 578 CD1 LEU A 79 -0.165 3.558 -10.260 1.00 0.00 C ATOM 579 CD2 LEU A 79 -2.102 3.662 -11.842 1.00 0.00 C ATOM 0 H LEU A 79 -2.251 1.431 -13.019 1.00 0.00 H new ATOM 0 HA LEU A 79 0.389 1.748 -14.430 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.146 2.811 -12.269 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.028 3.787 -13.200 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.120 1.866 -11.179 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.851 3.575 -9.413 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.732 3.001 -9.989 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.108 4.579 -10.526 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.795 3.679 -11.001 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.831 4.683 -12.109 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.578 3.178 -12.695 1.00 0.00 H new ATOM 580 N TYR A 80 1.369 -0.111 -12.867 1.00 0.00 N ATOM 581 CA TYR A 80 1.677 -1.414 -12.203 1.00 0.00 C ATOM 582 C TYR A 80 2.676 -1.253 -11.058 1.00 0.00 C ATOM 583 O TYR A 80 3.179 -0.183 -10.789 1.00 0.00 O ATOM 584 CB TYR A 80 2.252 -2.369 -13.246 1.00 0.00 C ATOM 585 CG TYR A 80 1.186 -2.697 -14.266 1.00 0.00 C ATOM 586 CD1 TYR A 80 0.547 -1.668 -14.974 1.00 0.00 C ATOM 587 CD2 TYR A 80 0.842 -4.031 -14.507 1.00 0.00 C ATOM 588 CE1 TYR A 80 -0.436 -1.979 -15.920 1.00 0.00 C ATOM 589 CE2 TYR A 80 -0.143 -4.341 -15.454 1.00 0.00 C ATOM 590 CZ TYR A 80 -0.782 -3.315 -16.161 1.00 0.00 C ATOM 591 OH TYR A 80 -1.752 -3.621 -17.095 1.00 0.00 O ATOM 0 H TYR A 80 2.147 0.336 -13.352 1.00 0.00 H new ATOM 0 HA TYR A 80 0.753 -1.808 -11.779 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.113 -1.914 -13.736 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.604 -3.282 -12.765 1.00 0.00 H new ATOM 0 HD1 TYR A 80 0.813 -0.638 -14.789 1.00 0.00 H new ATOM 0 HD2 TYR A 80 1.336 -4.823 -13.963 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -0.929 -1.188 -16.465 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -0.409 -5.371 -15.639 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.869 -4.593 -17.139 1.00 0.00 H new ATOM 592 N LEU A 81 2.959 -2.329 -10.371 1.00 0.00 N ATOM 593 CA LEU A 81 3.919 -2.253 -9.233 1.00 0.00 C ATOM 594 C LEU A 81 4.887 -3.426 -9.262 1.00 0.00 C ATOM 595 O LEU A 81 4.492 -4.565 -9.101 1.00 0.00 O ATOM 596 CB LEU A 81 3.172 -2.374 -7.905 1.00 0.00 C ATOM 597 CG LEU A 81 2.642 -1.030 -7.431 1.00 0.00 C ATOM 598 CD1 LEU A 81 2.463 -1.081 -5.910 1.00 0.00 C ATOM 599 CD2 LEU A 81 3.616 0.096 -7.751 1.00 0.00 C ATOM 0 H LEU A 81 2.568 -3.254 -10.549 1.00 0.00 H new ATOM 0 HA LEU A 81 4.443 -1.302 -9.324 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.343 -3.073 -8.017 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.839 -2.789 -7.149 1.00 0.00 H new ATOM 0 HG LEU A 81 1.698 -0.837 -7.941 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.083 -0.123 -5.556 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.755 -1.869 -5.653 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.423 -1.287 -5.437 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.206 1.043 -7.399 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.568 -0.094 -7.255 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.772 0.147 -8.829 1.00 0.00 H new ATOM 600 N GLN A 82 6.154 -3.159 -9.367 1.00 0.00 N ATOM 601 CA GLN A 82 7.130 -4.268 -9.287 1.00 0.00 C ATOM 602 C GLN A 82 7.592 -4.265 -7.828 1.00 0.00 C ATOM 603 O GLN A 82 8.367 -3.419 -7.413 1.00 0.00 O ATOM 604 CB GLN A 82 8.320 -4.047 -10.231 1.00 0.00 C ATOM 605 CG GLN A 82 7.859 -3.341 -11.514 1.00 0.00 C ATOM 606 CD GLN A 82 7.793 -4.356 -12.657 1.00 0.00 C ATOM 607 OE1 GLN A 82 6.782 -5.001 -12.854 1.00 0.00 O ATOM 608 NE2 GLN A 82 8.835 -4.524 -13.424 1.00 0.00 N ATOM 0 H GLN A 82 6.551 -2.230 -9.503 1.00 0.00 H new ATOM 0 HA GLN A 82 6.687 -5.217 -9.588 1.00 0.00 H new ATOM 0 HB2 GLN A 82 9.082 -3.448 -9.732 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.779 -5.004 -10.479 1.00 0.00 H new ATOM 0 HG2 GLN A 82 6.881 -2.886 -11.360 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.549 -2.536 -11.767 1.00 0.00 H new ATOM 0 HE21 GLN A 82 9.683 -3.982 -13.258 1.00 0.00 H new ATOM 0 HE22 GLN A 82 8.801 -5.197 -14.190 1.00 0.00 H new ATOM 609 N MET A 83 7.068 -5.156 -7.031 1.00 0.00 N ATOM 610 CA MET A 83 7.423 -5.156 -5.578 1.00 0.00 C ATOM 611 C MET A 83 7.946 -6.536 -5.161 1.00 0.00 C ATOM 612 O MET A 83 7.212 -7.503 -5.119 1.00 0.00 O ATOM 613 CB MET A 83 6.170 -4.798 -4.746 1.00 0.00 C ATOM 614 CG MET A 83 4.893 -5.052 -5.551 1.00 0.00 C ATOM 615 SD MET A 83 3.529 -5.395 -4.410 1.00 0.00 S ATOM 616 CE MET A 83 2.317 -4.294 -5.178 1.00 0.00 C ATOM 0 H MET A 83 6.412 -5.882 -7.319 1.00 0.00 H new ATOM 0 HA MET A 83 8.204 -4.417 -5.400 1.00 0.00 H new ATOM 0 HB2 MET A 83 6.153 -5.391 -3.832 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.214 -3.751 -4.446 1.00 0.00 H new ATOM 0 HG2 MET A 83 4.658 -4.184 -6.167 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.037 -5.894 -6.228 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.984 -3.555 -4.450 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.774 -3.786 -6.028 1.00 0.00 H new ATOM 0 HE3 MET A 83 1.462 -4.877 -5.520 1.00 0.00 H new ATOM 617 N ASN A 84 9.212 -6.629 -4.846 1.00 0.00 N ATOM 618 CA ASN A 84 9.794 -7.940 -4.431 1.00 0.00 C ATOM 619 C ASN A 84 10.285 -7.854 -2.979 1.00 0.00 C ATOM 620 O ASN A 84 9.689 -7.204 -2.147 1.00 0.00 O ATOM 621 CB ASN A 84 10.969 -8.274 -5.353 1.00 0.00 C ATOM 622 CG ASN A 84 12.072 -7.230 -5.167 1.00 0.00 C ATOM 623 OD1 ASN A 84 12.961 -7.404 -4.356 1.00 0.00 O ATOM 624 ND2 ASN A 84 12.052 -6.143 -5.889 1.00 0.00 N ATOM 0 H ASN A 84 9.870 -5.850 -4.858 1.00 0.00 H new ATOM 0 HA ASN A 84 9.035 -8.719 -4.502 1.00 0.00 H new ATOM 0 HB2 ASN A 84 11.352 -9.269 -5.126 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.638 -8.289 -6.391 1.00 0.00 H new ATOM 0 HD21 ASN A 84 12.782 -5.440 -5.773 1.00 0.00 H new ATOM 0 HD22 ASN A 84 11.306 -5.996 -6.570 1.00 0.00 H new ATOM 625 N SER A 85 11.369 -8.511 -2.664 1.00 0.00 N ATOM 626 CA SER A 85 11.897 -8.461 -1.268 1.00 0.00 C ATOM 627 C SER A 85 11.071 -9.362 -0.343 1.00 0.00 C ATOM 628 O SER A 85 11.457 -9.628 0.778 1.00 0.00 O ATOM 629 CB SER A 85 11.836 -7.022 -0.754 1.00 0.00 C ATOM 630 OG SER A 85 12.937 -6.787 0.114 1.00 0.00 O ATOM 0 H SER A 85 11.912 -9.081 -3.313 1.00 0.00 H new ATOM 0 HA SER A 85 12.928 -8.815 -1.273 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.862 -6.323 -1.590 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.898 -6.852 -0.225 1.00 0.00 H new ATOM 0 HG SER A 85 12.902 -5.865 0.444 1.00 0.00 H new ATOM 631 N LEU A 86 9.940 -9.837 -0.791 1.00 0.00 N ATOM 632 CA LEU A 86 9.111 -10.714 0.080 1.00 0.00 C ATOM 633 C LEU A 86 9.925 -11.959 0.463 1.00 0.00 C ATOM 634 O LEU A 86 11.102 -12.049 0.175 1.00 0.00 O ATOM 635 CB LEU A 86 7.840 -11.135 -0.670 1.00 0.00 C ATOM 636 CG LEU A 86 6.946 -9.915 -0.961 1.00 0.00 C ATOM 637 CD1 LEU A 86 6.992 -8.926 0.206 1.00 0.00 C ATOM 638 CD2 LEU A 86 7.418 -9.212 -2.239 1.00 0.00 C ATOM 0 H LEU A 86 9.557 -9.656 -1.719 1.00 0.00 H new ATOM 0 HA LEU A 86 8.828 -10.172 0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.110 -11.625 -1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.287 -11.863 -0.077 1.00 0.00 H new ATOM 0 HG LEU A 86 5.922 -10.264 -1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.355 -8.070 -0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.637 -9.416 1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.017 -8.586 0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.780 -8.351 -2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.448 -8.879 -2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.362 -9.906 -3.078 1.00 0.00 H new ATOM 639 N ARG A 87 9.314 -12.919 1.110 1.00 0.00 N ATOM 640 CA ARG A 87 10.071 -14.148 1.504 1.00 0.00 C ATOM 641 C ARG A 87 9.125 -15.353 1.544 1.00 0.00 C ATOM 642 O ARG A 87 9.131 -16.130 2.478 1.00 0.00 O ATOM 643 CB ARG A 87 10.694 -13.940 2.887 1.00 0.00 C ATOM 644 CG ARG A 87 9.628 -14.115 3.972 1.00 0.00 C ATOM 645 CD ARG A 87 9.773 -13.009 5.019 1.00 0.00 C ATOM 646 NE ARG A 87 11.164 -13.013 5.554 1.00 0.00 N ATOM 647 CZ ARG A 87 12.085 -12.281 4.987 1.00 0.00 C ATOM 648 NH1 ARG A 87 11.842 -11.031 4.704 1.00 0.00 N ATOM 649 NH2 ARG A 87 13.248 -12.799 4.704 1.00 0.00 N ATOM 0 H ARG A 87 8.331 -12.907 1.381 1.00 0.00 H new ATOM 0 HA ARG A 87 10.857 -14.336 0.773 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.503 -14.654 3.042 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.131 -12.944 2.952 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.633 -14.080 3.527 1.00 0.00 H new ATOM 0 HG3 ARG A 87 9.732 -15.092 4.444 1.00 0.00 H new ATOM 0 HD2 ARG A 87 9.545 -12.040 4.574 1.00 0.00 H new ATOM 0 HD3 ARG A 87 9.060 -13.164 5.829 1.00 0.00 H new ATOM 0 HE ARG A 87 11.397 -13.588 6.364 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.933 -10.625 4.926 1.00 0.00 H new ATOM 0 HH12 ARG A 87 12.561 -10.459 4.261 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.439 -13.776 4.925 1.00 0.00 H new ATOM 0 HH22 ARG A 87 13.967 -12.227 4.261 1.00 0.00 H new ATOM 650 N ALA A 88 8.317 -15.505 0.537 1.00 0.00 N ATOM 651 CA ALA A 88 7.357 -16.651 0.502 1.00 0.00 C ATOM 652 C ALA A 88 6.762 -16.857 1.889 1.00 0.00 C ATOM 653 O ALA A 88 6.518 -17.970 2.310 1.00 0.00 O ATOM 654 CB ALA A 88 8.092 -17.924 0.091 1.00 0.00 C ATOM 0 H ALA A 88 8.276 -14.884 -0.271 1.00 0.00 H new ATOM 0 HA ALA A 88 6.566 -16.432 -0.215 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.390 -18.758 0.066 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.529 -17.788 -0.898 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.882 -18.136 0.811 1.00 0.00 H new ATOM 655 N GLU A 89 6.545 -15.801 2.615 1.00 0.00 N ATOM 656 CA GLU A 89 5.989 -15.956 3.980 1.00 0.00 C ATOM 657 C GLU A 89 5.346 -14.645 4.433 1.00 0.00 C ATOM 658 O GLU A 89 5.349 -14.313 5.601 1.00 0.00 O ATOM 659 CB GLU A 89 7.131 -16.326 4.923 1.00 0.00 C ATOM 660 CG GLU A 89 6.829 -17.670 5.584 1.00 0.00 C ATOM 661 CD GLU A 89 7.046 -17.556 7.094 1.00 0.00 C ATOM 662 OE1 GLU A 89 6.609 -16.570 7.664 1.00 0.00 O ATOM 663 OE2 GLU A 89 7.648 -18.458 7.654 1.00 0.00 O ATOM 0 H GLU A 89 6.728 -14.841 2.323 1.00 0.00 H new ATOM 0 HA GLU A 89 5.228 -16.736 3.988 1.00 0.00 H new ATOM 0 HB2 GLU A 89 8.069 -16.383 4.371 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.254 -15.554 5.683 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.801 -17.967 5.375 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.475 -18.444 5.170 1.00 0.00 H new ATOM 664 N ASP A 90 4.787 -13.897 3.519 1.00 0.00 N ATOM 665 CA ASP A 90 4.142 -12.615 3.910 1.00 0.00 C ATOM 666 C ASP A 90 3.150 -12.188 2.829 1.00 0.00 C ATOM 667 O ASP A 90 3.183 -11.068 2.359 1.00 0.00 O ATOM 668 CB ASP A 90 5.207 -11.530 4.076 1.00 0.00 C ATOM 669 CG ASP A 90 6.232 -11.646 2.948 1.00 0.00 C ATOM 670 OD1 ASP A 90 5.957 -12.358 1.996 1.00 0.00 O ATOM 671 OD2 ASP A 90 7.275 -11.021 3.053 1.00 0.00 O ATOM 0 H ASP A 90 4.750 -14.119 2.524 1.00 0.00 H new ATOM 0 HA ASP A 90 3.615 -12.754 4.854 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.743 -10.544 4.060 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.700 -11.634 5.042 1.00 0.00 H new ATOM 672 N THR A 91 2.260 -13.062 2.435 1.00 0.00 N ATOM 673 CA THR A 91 1.265 -12.682 1.396 1.00 0.00 C ATOM 674 C THR A 91 0.705 -11.306 1.762 1.00 0.00 C ATOM 675 O THR A 91 0.756 -10.904 2.908 1.00 0.00 O ATOM 676 CB THR A 91 0.142 -13.722 1.372 1.00 0.00 C ATOM 677 OG1 THR A 91 0.679 -14.982 0.996 1.00 0.00 O ATOM 678 CG2 THR A 91 -0.933 -13.304 0.367 1.00 0.00 C ATOM 0 H THR A 91 2.182 -14.016 2.787 1.00 0.00 H new ATOM 0 HA THR A 91 1.726 -12.644 0.409 1.00 0.00 H new ATOM 0 HB THR A 91 -0.306 -13.794 2.363 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.037 -15.651 0.981 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.729 -14.048 0.355 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.345 -12.337 0.656 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.492 -13.228 -0.627 1.00 0.00 H new ATOM 679 N ALA A 92 0.195 -10.562 0.819 1.00 0.00 N ATOM 680 CA ALA A 92 -0.322 -9.209 1.177 1.00 0.00 C ATOM 681 C ALA A 92 -1.557 -8.846 0.350 1.00 0.00 C ATOM 682 O ALA A 92 -1.906 -9.507 -0.606 1.00 0.00 O ATOM 683 CB ALA A 92 0.774 -8.173 0.921 1.00 0.00 C ATOM 0 H ALA A 92 0.114 -10.824 -0.164 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.606 -9.218 2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.404 -7.181 1.180 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.646 -8.407 1.532 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.054 -8.192 -0.132 1.00 0.00 H new ATOM 684 N VAL A 93 -2.199 -7.769 0.716 1.00 0.00 N ATOM 685 CA VAL A 93 -3.400 -7.294 -0.023 1.00 0.00 C ATOM 686 C VAL A 93 -3.245 -5.776 -0.195 1.00 0.00 C ATOM 687 O VAL A 93 -2.738 -5.112 0.680 1.00 0.00 O ATOM 688 CB VAL A 93 -4.663 -7.634 0.770 1.00 0.00 C ATOM 689 CG1 VAL A 93 -5.880 -7.035 0.068 1.00 0.00 C ATOM 690 CG2 VAL A 93 -4.820 -9.155 0.839 1.00 0.00 C ATOM 0 H VAL A 93 -1.935 -7.189 1.512 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.489 -7.776 -0.997 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.583 -7.225 1.777 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.781 -7.277 0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.769 -5.952 0.008 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.960 -7.448 -0.938 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.719 -9.403 1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.902 -9.558 -0.170 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.950 -9.588 1.333 1.00 0.00 H new ATOM 691 N TYR A 94 -3.622 -5.216 -1.313 1.00 0.00 N ATOM 692 CA TYR A 94 -3.406 -3.743 -1.501 1.00 0.00 C ATOM 693 C TYR A 94 -4.703 -3.018 -1.897 1.00 0.00 C ATOM 694 O TYR A 94 -5.664 -3.626 -2.318 1.00 0.00 O ATOM 695 CB TYR A 94 -2.389 -3.562 -2.630 1.00 0.00 C ATOM 696 CG TYR A 94 -1.173 -4.423 -2.401 1.00 0.00 C ATOM 697 CD1 TYR A 94 -0.704 -4.661 -1.105 1.00 0.00 C ATOM 698 CD2 TYR A 94 -0.503 -4.963 -3.497 1.00 0.00 C ATOM 699 CE1 TYR A 94 0.435 -5.442 -0.906 1.00 0.00 C ATOM 700 CE2 TYR A 94 0.638 -5.746 -3.301 1.00 0.00 C ATOM 701 CZ TYR A 94 1.108 -5.985 -2.004 1.00 0.00 C ATOM 702 OH TYR A 94 2.238 -6.753 -1.809 1.00 0.00 O ATOM 0 H TYR A 94 -4.063 -5.700 -2.095 1.00 0.00 H new ATOM 0 HA TYR A 94 -3.057 -3.319 -0.560 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.849 -3.821 -3.584 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.092 -2.515 -2.693 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.224 -4.240 -0.257 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.865 -4.777 -4.497 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.796 -5.627 0.095 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.157 -6.167 -4.150 1.00 0.00 H new ATOM 0 HH TYR A 94 2.945 -6.455 -2.419 1.00 0.00 H new ATOM 703 N TYR A 95 -4.722 -1.705 -1.786 1.00 0.00 N ATOM 704 CA TYR A 95 -5.934 -0.928 -2.181 1.00 0.00 C ATOM 705 C TYR A 95 -5.485 0.430 -2.720 1.00 0.00 C ATOM 706 O TYR A 95 -4.863 1.206 -2.024 1.00 0.00 O ATOM 707 CB TYR A 95 -6.830 -0.733 -0.970 1.00 0.00 C ATOM 708 CG TYR A 95 -7.553 -2.019 -0.686 1.00 0.00 C ATOM 709 CD1 TYR A 95 -6.863 -3.079 -0.095 1.00 0.00 C ATOM 710 CD2 TYR A 95 -8.906 -2.158 -1.022 1.00 0.00 C ATOM 711 CE1 TYR A 95 -7.526 -4.283 0.165 1.00 0.00 C ATOM 712 CE2 TYR A 95 -9.570 -3.363 -0.759 1.00 0.00 C ATOM 713 CZ TYR A 95 -8.879 -4.426 -0.166 1.00 0.00 C ATOM 714 OH TYR A 95 -9.531 -5.615 0.090 1.00 0.00 O ATOM 0 H TYR A 95 -3.945 -1.143 -1.437 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.492 -1.465 -2.948 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.236 -0.436 -0.106 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.545 0.068 -1.156 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.819 -2.970 0.161 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -9.436 -1.338 -1.483 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.993 -5.104 0.622 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -10.614 -3.472 -1.013 1.00 0.00 H new ATOM 0 HH TYR A 95 -10.465 -5.545 -0.200 1.00 0.00 H new ATOM 715 N CYS A 96 -5.759 0.705 -3.966 1.00 0.00 N ATOM 716 CA CYS A 96 -5.299 1.992 -4.566 1.00 0.00 C ATOM 717 C CYS A 96 -5.835 3.210 -3.822 1.00 0.00 C ATOM 718 O CYS A 96 -6.636 3.105 -2.914 1.00 0.00 O ATOM 719 CB CYS A 96 -5.734 2.080 -6.026 1.00 0.00 C ATOM 720 SG CYS A 96 -4.868 0.839 -7.014 1.00 0.00 S ATOM 0 H CYS A 96 -6.281 0.095 -4.595 1.00 0.00 H new ATOM 0 HA CYS A 96 -4.212 1.999 -4.489 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -6.811 1.928 -6.102 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -5.524 3.076 -6.416 1.00 0.00 H new ATOM 721 N ALA A 97 -5.382 4.382 -4.218 1.00 0.00 N ATOM 722 CA ALA A 97 -5.845 5.631 -3.550 1.00 0.00 C ATOM 723 C ALA A 97 -5.038 6.833 -4.076 1.00 0.00 C ATOM 724 O ALA A 97 -3.832 6.861 -3.985 1.00 0.00 O ATOM 725 CB ALA A 97 -5.605 5.507 -2.048 1.00 0.00 C ATOM 0 H ALA A 97 -4.712 4.519 -4.975 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.905 5.780 -3.758 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.941 6.416 -1.550 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.162 4.654 -1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.541 5.362 -1.860 1.00 0.00 H new ATOM 726 N ARG A 98 -5.684 7.836 -4.600 1.00 0.00 N ATOM 727 CA ARG A 98 -4.931 9.020 -5.109 1.00 0.00 C ATOM 728 C ARG A 98 -4.974 10.128 -4.065 1.00 0.00 C ATOM 729 O ARG A 98 -5.470 9.941 -2.973 1.00 0.00 O ATOM 730 CB ARG A 98 -5.566 9.512 -6.408 1.00 0.00 C ATOM 731 CG ARG A 98 -4.509 10.190 -7.278 1.00 0.00 C ATOM 732 CD ARG A 98 -5.065 11.506 -7.804 1.00 0.00 C ATOM 733 NE ARG A 98 -5.391 11.359 -9.248 1.00 0.00 N ATOM 734 CZ ARG A 98 -6.630 11.209 -9.618 1.00 0.00 C ATOM 735 NH1 ARG A 98 -7.411 10.396 -8.960 1.00 0.00 N ATOM 736 NH2 ARG A 98 -7.091 11.875 -10.639 1.00 0.00 N ATOM 0 H ARG A 98 -6.698 7.889 -4.699 1.00 0.00 H new ATOM 0 HA ARG A 98 -3.895 8.740 -5.301 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.010 8.675 -6.946 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.372 10.212 -6.187 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -3.604 10.369 -6.698 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -4.232 9.540 -8.108 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -5.957 11.787 -7.245 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -4.336 12.304 -7.663 1.00 0.00 H new ATOM 0 HE ARG A 98 -4.647 11.376 -9.945 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -7.050 9.880 -8.158 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -8.382 10.277 -9.248 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -6.481 12.514 -11.149 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -8.062 11.757 -10.929 1.00 0.00 H new ATOM 737 N LEU A 99 -4.456 11.280 -4.377 1.00 0.00 N ATOM 738 CA LEU A 99 -4.477 12.377 -3.368 1.00 0.00 C ATOM 739 C LEU A 99 -3.919 13.673 -3.953 1.00 0.00 C ATOM 740 O LEU A 99 -2.862 13.708 -4.549 1.00 0.00 O ATOM 741 CB LEU A 99 -3.638 11.970 -2.158 1.00 0.00 C ATOM 742 CG LEU A 99 -2.155 12.057 -2.516 1.00 0.00 C ATOM 743 CD1 LEU A 99 -1.320 11.490 -1.370 1.00 0.00 C ATOM 744 CD2 LEU A 99 -1.890 11.251 -3.789 1.00 0.00 C ATOM 0 H LEU A 99 -4.025 11.510 -5.272 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.511 12.548 -3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.858 12.622 -1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.890 10.955 -1.851 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.882 13.099 -2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.262 11.552 -1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.509 12.065 -0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.592 10.448 -1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.832 11.313 -4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.163 10.209 -3.623 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -2.486 11.656 -4.607 1.00 0.00 H new ATOM 745 N LYS A 100 -4.628 14.742 -3.762 1.00 0.00 N ATOM 746 CA LYS A 100 -4.165 16.061 -4.281 1.00 0.00 C ATOM 747 C LYS A 100 -5.347 17.034 -4.338 1.00 0.00 C ATOM 748 O LYS A 100 -5.327 17.999 -5.077 1.00 0.00 O ATOM 749 CB LYS A 100 -3.589 15.879 -5.687 1.00 0.00 C ATOM 750 CG LYS A 100 -4.428 14.850 -6.448 1.00 0.00 C ATOM 751 CD LYS A 100 -4.375 15.145 -7.946 1.00 0.00 C ATOM 752 CE LYS A 100 -5.128 16.444 -8.235 1.00 0.00 C ATOM 753 NZ LYS A 100 -4.162 17.490 -8.671 1.00 0.00 N ATOM 0 H LYS A 100 -5.518 14.764 -3.264 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.397 16.462 -3.619 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.590 16.831 -6.219 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.552 15.548 -5.628 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.053 13.845 -6.252 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.460 14.879 -6.099 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.339 15.231 -8.274 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.819 14.322 -8.506 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.876 16.279 -9.010 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.661 16.774 -7.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.480 18.420 -8.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.222 17.280 -8.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.109 17.502 -9.710 1.00 0.00 H new ATOM 754 N LYS A 101 -6.383 16.790 -3.578 1.00 0.00 N ATOM 755 CA LYS A 101 -7.554 17.700 -3.612 1.00 0.00 C ATOM 756 C LYS A 101 -8.217 17.581 -4.974 1.00 0.00 C ATOM 757 O LYS A 101 -7.595 17.799 -5.990 1.00 0.00 O ATOM 758 CB LYS A 101 -7.105 19.143 -3.373 1.00 0.00 C ATOM 759 CG LYS A 101 -8.326 20.020 -3.091 1.00 0.00 C ATOM 760 CD LYS A 101 -7.886 21.271 -2.329 1.00 0.00 C ATOM 761 CE LYS A 101 -8.658 21.366 -1.013 1.00 0.00 C ATOM 762 NZ LYS A 101 -8.404 20.145 -0.198 1.00 0.00 N ATOM 0 H LYS A 101 -6.464 16.000 -2.938 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.260 17.425 -2.828 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.413 19.185 -2.532 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.570 19.517 -4.246 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.809 20.302 -4.026 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.060 19.464 -2.507 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -6.815 21.231 -2.132 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.066 22.160 -2.933 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.350 22.254 -0.462 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.725 21.468 -1.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.399 20.396 0.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.153 19.446 -0.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.482 19.739 -0.458 1.00 0.00 H new ATOM 763 N TYR A 102 -9.464 17.189 -4.992 1.00 0.00 N ATOM 764 CA TYR A 102 -10.196 16.996 -6.279 1.00 0.00 C ATOM 765 C TYR A 102 -9.884 15.602 -6.810 1.00 0.00 C ATOM 766 O TYR A 102 -10.671 15.010 -7.519 1.00 0.00 O ATOM 767 CB TYR A 102 -9.775 18.031 -7.328 1.00 0.00 C ATOM 768 CG TYR A 102 -10.603 17.829 -8.575 1.00 0.00 C ATOM 769 CD1 TYR A 102 -10.387 16.703 -9.386 1.00 0.00 C ATOM 770 CD2 TYR A 102 -11.585 18.764 -8.924 1.00 0.00 C ATOM 771 CE1 TYR A 102 -11.154 16.515 -10.540 1.00 0.00 C ATOM 772 CE2 TYR A 102 -12.351 18.574 -10.081 1.00 0.00 C ATOM 773 CZ TYR A 102 -12.135 17.451 -10.889 1.00 0.00 C ATOM 774 OH TYR A 102 -12.890 17.265 -12.028 1.00 0.00 O ATOM 0 H TYR A 102 -10.015 16.991 -4.156 1.00 0.00 H new ATOM 0 HA TYR A 102 -11.263 17.117 -6.091 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -9.917 19.040 -6.940 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -8.715 17.925 -7.558 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -9.628 15.982 -9.118 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -11.752 19.631 -8.302 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -10.990 15.648 -11.162 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -13.109 19.294 -10.350 1.00 0.00 H new ATOM 0 HH TYR A 102 -13.526 18.005 -12.124 1.00 0.00 H new ATOM 775 N ALA A 103 -8.737 15.071 -6.482 1.00 0.00 N ATOM 776 CA ALA A 103 -8.376 13.731 -6.975 1.00 0.00 C ATOM 777 C ALA A 103 -8.293 12.775 -5.798 1.00 0.00 C ATOM 778 O ALA A 103 -7.635 11.761 -5.856 1.00 0.00 O ATOM 779 CB ALA A 103 -7.017 13.826 -7.646 1.00 0.00 C ATOM 0 H ALA A 103 -8.037 15.518 -5.890 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.122 13.368 -7.682 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -6.727 12.844 -8.020 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.070 14.530 -8.476 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.278 14.172 -6.923 1.00 0.00 H new ATOM 780 N PHE A 104 -8.952 13.088 -4.725 1.00 0.00 N ATOM 781 CA PHE A 104 -8.892 12.182 -3.554 1.00 0.00 C ATOM 782 C PHE A 104 -10.301 11.781 -3.123 1.00 0.00 C ATOM 783 O PHE A 104 -11.060 12.597 -2.646 1.00 0.00 O ATOM 784 CB PHE A 104 -8.189 12.870 -2.390 1.00 0.00 C ATOM 785 CG PHE A 104 -7.400 11.834 -1.632 1.00 0.00 C ATOM 786 CD1 PHE A 104 -7.792 10.490 -1.681 1.00 0.00 C ATOM 787 CD2 PHE A 104 -6.267 12.207 -0.902 1.00 0.00 C ATOM 788 CE1 PHE A 104 -7.053 9.519 -1.006 1.00 0.00 C ATOM 789 CE2 PHE A 104 -5.529 11.233 -0.220 1.00 0.00 C ATOM 790 CZ PHE A 104 -5.923 9.890 -0.277 1.00 0.00 C ATOM 0 H PHE A 104 -9.525 13.924 -4.608 1.00 0.00 H new ATOM 0 HA PHE A 104 -8.333 11.291 -3.839 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.529 13.656 -2.757 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -8.918 13.346 -1.734 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -8.669 10.205 -2.243 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -5.963 13.243 -0.865 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.355 8.483 -1.047 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -4.656 11.517 0.350 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.350 9.139 0.246 1.00 0.00 H new ATOM 791 N ASP A 105 -10.635 10.521 -3.275 1.00 0.00 N ATOM 792 CA ASP A 105 -11.991 10.026 -2.867 1.00 0.00 C ATOM 793 C ASP A 105 -12.397 8.829 -3.737 1.00 0.00 C ATOM 794 O ASP A 105 -13.561 8.639 -4.027 1.00 0.00 O ATOM 795 CB ASP A 105 -13.041 11.130 -3.040 1.00 0.00 C ATOM 796 CG ASP A 105 -13.298 11.807 -1.692 1.00 0.00 C ATOM 797 OD1 ASP A 105 -13.442 11.096 -0.712 1.00 0.00 O ATOM 798 OD2 ASP A 105 -13.343 13.026 -1.663 1.00 0.00 O ATOM 0 H ASP A 105 -10.021 9.807 -3.668 1.00 0.00 H new ATOM 0 HA ASP A 105 -11.941 9.729 -1.819 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.695 11.864 -3.768 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -13.967 10.708 -3.429 1.00 0.00 H new ATOM 799 N TYR A 106 -11.461 8.018 -4.156 1.00 0.00 N ATOM 800 CA TYR A 106 -11.833 6.846 -5.002 1.00 0.00 C ATOM 801 C TYR A 106 -10.945 5.648 -4.654 1.00 0.00 C ATOM 802 O TYR A 106 -10.497 5.494 -3.536 1.00 0.00 O ATOM 803 CB TYR A 106 -11.665 7.181 -6.492 1.00 0.00 C ATOM 804 CG TYR A 106 -11.555 8.671 -6.687 1.00 0.00 C ATOM 805 CD1 TYR A 106 -12.709 9.461 -6.729 1.00 0.00 C ATOM 806 CD2 TYR A 106 -10.295 9.261 -6.826 1.00 0.00 C ATOM 807 CE1 TYR A 106 -12.601 10.843 -6.912 1.00 0.00 C ATOM 808 CE2 TYR A 106 -10.186 10.641 -7.008 1.00 0.00 C ATOM 809 CZ TYR A 106 -11.340 11.433 -7.051 1.00 0.00 C ATOM 810 OH TYR A 106 -11.235 12.795 -7.231 1.00 0.00 O ATOM 0 H TYR A 106 -10.466 8.114 -3.952 1.00 0.00 H new ATOM 0 HA TYR A 106 -12.877 6.600 -4.807 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.774 6.690 -6.883 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -12.515 6.796 -7.056 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -13.682 9.004 -6.620 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.406 8.649 -6.793 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -13.490 11.455 -6.946 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.213 11.097 -7.115 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.037 13.224 -6.372 1.00 0.00 H new ATOM 811 N TRP A 107 -10.700 4.793 -5.609 1.00 0.00 N ATOM 812 CA TRP A 107 -9.859 3.595 -5.349 1.00 0.00 C ATOM 813 C TRP A 107 -10.481 2.783 -4.213 1.00 0.00 C ATOM 814 O TRP A 107 -10.461 3.186 -3.067 1.00 0.00 O ATOM 815 CB TRP A 107 -8.452 4.017 -4.964 1.00 0.00 C ATOM 816 CG TRP A 107 -8.009 5.160 -5.818 1.00 0.00 C ATOM 817 CD1 TRP A 107 -8.224 6.452 -5.525 1.00 0.00 C ATOM 818 CD2 TRP A 107 -7.304 5.145 -7.093 1.00 0.00 C ATOM 819 NE1 TRP A 107 -7.632 7.243 -6.483 1.00 0.00 N ATOM 820 CE2 TRP A 107 -7.065 6.484 -7.488 1.00 0.00 C ATOM 821 CE3 TRP A 107 -6.836 4.116 -7.932 1.00 0.00 C ATOM 822 CZ2 TRP A 107 -6.381 6.783 -8.673 1.00 0.00 C ATOM 823 CZ3 TRP A 107 -6.159 4.418 -9.123 1.00 0.00 C ATOM 824 CH2 TRP A 107 -5.932 5.745 -9.493 1.00 0.00 C ATOM 0 H TRP A 107 -11.050 4.875 -6.564 1.00 0.00 H new ATOM 0 HA TRP A 107 -9.808 2.987 -6.253 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -8.425 4.306 -3.913 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -7.767 3.178 -5.082 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -8.776 6.815 -4.670 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -7.614 8.262 -6.454 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -7.000 3.085 -7.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -6.202 7.811 -8.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -5.811 3.618 -9.759 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -5.410 5.969 -10.412 1.00 0.00 H new ATOM 825 N GLY A 108 -11.042 1.644 -4.518 1.00 0.00 N ATOM 826 CA GLY A 108 -11.671 0.818 -3.450 1.00 0.00 C ATOM 827 C GLY A 108 -12.150 -0.512 -4.034 1.00 0.00 C ATOM 828 O GLY A 108 -13.249 -0.620 -4.540 1.00 0.00 O ATOM 0 H GLY A 108 -11.091 1.251 -5.458 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -10.954 0.636 -2.649 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -12.511 1.355 -3.010 1.00 0.00 H new ATOM 829 N GLN A 109 -11.335 -1.527 -3.957 1.00 0.00 N ATOM 830 CA GLN A 109 -11.739 -2.856 -4.494 1.00 0.00 C ATOM 831 C GLN A 109 -10.950 -3.941 -3.760 1.00 0.00 C ATOM 832 O GLN A 109 -11.516 -4.841 -3.170 1.00 0.00 O ATOM 833 CB GLN A 109 -11.444 -2.924 -5.994 1.00 0.00 C ATOM 834 CG GLN A 109 -12.753 -3.141 -6.756 1.00 0.00 C ATOM 835 CD GLN A 109 -13.325 -4.517 -6.410 1.00 0.00 C ATOM 836 OE1 GLN A 109 -12.588 -5.467 -6.232 1.00 0.00 O ATOM 837 NE2 GLN A 109 -14.618 -4.666 -6.303 1.00 0.00 N ATOM 0 H GLN A 109 -10.403 -1.493 -3.544 1.00 0.00 H new ATOM 0 HA GLN A 109 -12.808 -3.007 -4.342 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -10.966 -2.002 -6.325 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -10.749 -3.737 -6.203 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -13.470 -2.362 -6.497 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -12.577 -3.068 -7.829 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -15.237 -3.869 -6.452 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -15.009 -5.579 -6.070 1.00 0.00 H new ATOM 838 N GLY A 110 -9.649 -3.853 -3.775 1.00 0.00 N ATOM 839 CA GLY A 110 -8.831 -4.869 -3.059 1.00 0.00 C ATOM 840 C GLY A 110 -8.055 -5.734 -4.054 1.00 0.00 C ATOM 841 O GLY A 110 -8.614 -6.303 -4.971 1.00 0.00 O ATOM 0 H GLY A 110 -9.119 -3.123 -4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.136 -4.373 -2.381 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -9.477 -5.499 -2.448 1.00 0.00 H new ATOM 842 N THR A 111 -6.772 -5.860 -3.853 1.00 0.00 N ATOM 843 CA THR A 111 -5.944 -6.710 -4.742 1.00 0.00 C ATOM 844 C THR A 111 -4.973 -7.449 -3.836 1.00 0.00 C ATOM 845 O THR A 111 -5.254 -7.636 -2.670 1.00 0.00 O ATOM 846 CB THR A 111 -5.188 -5.843 -5.751 1.00 0.00 C ATOM 847 OG1 THR A 111 -4.666 -6.668 -6.784 1.00 0.00 O ATOM 848 CG2 THR A 111 -4.042 -5.119 -5.050 1.00 0.00 C ATOM 0 H THR A 111 -6.259 -5.402 -3.099 1.00 0.00 H new ATOM 0 HA THR A 111 -6.557 -7.407 -5.314 1.00 0.00 H new ATOM 0 HB THR A 111 -5.870 -5.108 -6.179 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.183 -6.114 -7.432 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.506 -4.503 -5.771 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.442 -4.486 -4.258 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.359 -5.851 -4.619 1.00 0.00 H new ATOM 849 N LEU A 112 -3.839 -7.871 -4.313 1.00 0.00 N ATOM 850 CA LEU A 112 -2.932 -8.584 -3.383 1.00 0.00 C ATOM 851 C LEU A 112 -1.633 -9.005 -4.059 1.00 0.00 C ATOM 852 O LEU A 112 -1.236 -8.496 -5.088 1.00 0.00 O ATOM 853 CB LEU A 112 -3.648 -9.838 -2.909 1.00 0.00 C ATOM 854 CG LEU A 112 -3.772 -10.758 -4.109 1.00 0.00 C ATOM 855 CD1 LEU A 112 -2.735 -11.875 -3.994 1.00 0.00 C ATOM 856 CD2 LEU A 112 -5.182 -11.351 -4.156 1.00 0.00 C ATOM 0 H LEU A 112 -3.510 -7.759 -5.272 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.682 -7.913 -2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -3.089 -10.322 -2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -4.631 -9.592 -2.508 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.595 -10.196 -5.026 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -2.819 -12.540 -4.854 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -1.735 -11.442 -3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.910 -12.441 -3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.270 -12.012 -5.018 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.369 -11.918 -3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.913 -10.546 -4.239 1.00 0.00 H new ATOM 857 N VAL A 113 -0.977 -9.946 -3.439 1.00 0.00 N ATOM 858 CA VAL A 113 0.316 -10.471 -3.940 1.00 0.00 C ATOM 859 C VAL A 113 0.500 -11.873 -3.363 1.00 0.00 C ATOM 860 O VAL A 113 0.504 -12.050 -2.155 1.00 0.00 O ATOM 861 CB VAL A 113 1.440 -9.587 -3.410 1.00 0.00 C ATOM 862 CG1 VAL A 113 1.698 -8.429 -4.371 1.00 0.00 C ATOM 863 CG2 VAL A 113 1.009 -9.043 -2.050 1.00 0.00 C ATOM 0 H VAL A 113 -1.299 -10.385 -2.576 1.00 0.00 H new ATOM 0 HA VAL A 113 0.331 -10.487 -5.030 1.00 0.00 H new ATOM 0 HB VAL A 113 2.359 -10.165 -3.317 1.00 0.00 H new ATOM 0 HG11 VAL A 113 2.503 -7.805 -3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.984 -8.822 -5.346 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.792 -7.831 -4.472 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.796 -8.406 -1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.094 -8.461 -2.164 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.828 -9.873 -1.367 1.00 0.00 H new ATOM 864 N THR A 114 0.653 -12.868 -4.188 1.00 0.00 N ATOM 865 CA THR A 114 0.834 -14.237 -3.642 1.00 0.00 C ATOM 866 C THR A 114 2.323 -14.538 -3.528 1.00 0.00 C ATOM 867 O THR A 114 2.981 -14.861 -4.494 1.00 0.00 O ATOM 868 CB THR A 114 0.172 -15.258 -4.555 1.00 0.00 C ATOM 869 OG1 THR A 114 -0.917 -14.654 -5.238 1.00 0.00 O ATOM 870 CG2 THR A 114 -0.331 -16.410 -3.696 1.00 0.00 C ATOM 0 H THR A 114 0.661 -12.794 -5.205 1.00 0.00 H new ATOM 0 HA THR A 114 0.370 -14.296 -2.657 1.00 0.00 H new ATOM 0 HB THR A 114 0.886 -15.625 -5.292 1.00 0.00 H new ATOM 0 HG1 THR A 114 -1.340 -15.313 -5.827 1.00 0.00 H new ATOM 0 HG21 THR A 114 -0.810 -17.155 -4.331 1.00 0.00 H new ATOM 0 HG22 THR A 114 0.508 -16.866 -3.171 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.052 -16.035 -2.970 1.00 0.00 H new ATOM 871 N VAL A 115 2.860 -14.423 -2.352 1.00 0.00 N ATOM 872 CA VAL A 115 4.307 -14.682 -2.170 1.00 0.00 C ATOM 873 C VAL A 115 4.598 -16.180 -2.239 1.00 0.00 C ATOM 874 O VAL A 115 4.565 -16.883 -1.248 1.00 0.00 O ATOM 875 CB VAL A 115 4.734 -14.117 -0.821 1.00 0.00 C ATOM 876 CG1 VAL A 115 4.120 -14.936 0.316 1.00 0.00 C ATOM 877 CG2 VAL A 115 6.253 -14.147 -0.718 1.00 0.00 C ATOM 0 H VAL A 115 2.356 -14.159 -1.505 1.00 0.00 H new ATOM 0 HA VAL A 115 4.870 -14.198 -2.968 1.00 0.00 H new ATOM 0 HB VAL A 115 4.383 -13.088 -0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 115 4.434 -14.521 1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 115 3.033 -14.901 0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 115 4.455 -15.970 0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.560 -13.743 0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 115 6.604 -15.175 -0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 115 6.684 -13.544 -1.518 1.00 0.00 H new