USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 780 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 47 MET CE :methyl 177:sc= 0 (180deg=-0.0208) USER MOD Set 1.2: A 56 HIS : no HD1:sc= 1.39 K(o=1.4,f=-8.1!) USER MOD Set 2.1: A 13 ASN : amide:sc= 1.33 K(o=1.3,f=-1.9!) USER MOD Set 2.2: A 14 GLN : amide:sc= -0.0347 X(o=1.3,f=0.94) USER MOD Set 3.1: A 1 GLY N :NH3+ -160:sc= 0.261 (180deg=0) USER MOD Set 3.2: A 3 SER OG : rot 180:sc= 0.248 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 71:sc= 0.644 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -147:sc= 1.32 (180deg=1.07) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0.98 K(o=0.98,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.871 K(o=0.87,f=-0.57) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 49 LYS NZ :NH3+ 161:sc= 0.982 (180deg=0.679) USER MOD Single : A 53 THR OG1 : rot -58:sc= 0.781 USER MOD Single : A 55 GLN : amide:sc= 0.792 K(o=0.79,f=-0.019) USER MOD Single : A 57 GLN : amide:sc= 0.0304 K(o=0.03,f=-0.64) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -113:sc= -0.0332 (180deg=-1.31) USER MOD Single : A 79 MET CE :methyl -170:sc= 0 (180deg=-0.0979) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 30:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 174:sc= 1.27 (180deg=1.16) USER MOD Single : A 90 ASN : amide:sc= 0.801 K(o=0.8,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -169:sc= 3.33 (180deg=3.18) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= 0.947 K(o=0.95,f=-3!) USER MOD Single : A 96 ASN : amide:sc= 0.354 X(o=0.35,f=-0.031) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0.614 K(o=0.61,f=-0.11) USER MOD Single : A 100 SER OG : rot 180:sc=-0.00177 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.797 -11.632 21.438 1.00 0.00 N ATOM 2 CA GLY A 1 -13.737 -10.700 22.100 1.00 0.00 C ATOM 3 C GLY A 1 -13.082 -9.347 22.317 1.00 0.00 C ATOM 4 O GLY A 1 -11.957 -9.285 22.816 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.331 -12.408 20.997 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.259 -11.122 20.708 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.140 -12.021 22.144 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.632 -10.583 21.490 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.055 -11.114 23.057 1.00 0.00 H new ATOM 10 N SER A 2 -13.756 -8.260 21.918 1.00 0.00 N ATOM 11 CA SER A 2 -13.206 -6.884 21.884 1.00 0.00 C ATOM 12 C SER A 2 -11.878 -6.780 21.103 1.00 0.00 C ATOM 13 O SER A 2 -10.962 -6.039 21.473 1.00 0.00 O ATOM 14 CB SER A 2 -13.122 -6.277 23.295 1.00 0.00 C ATOM 15 OG SER A 2 -14.396 -6.307 23.929 1.00 0.00 O ATOM 0 H SER A 2 -14.724 -8.307 21.600 1.00 0.00 H new ATOM 0 HA SER A 2 -13.913 -6.277 21.319 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.399 -6.832 23.893 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.764 -5.249 23.234 1.00 0.00 H new ATOM 0 HG SER A 2 -14.324 -5.919 24.826 1.00 0.00 H new ATOM 21 N SER A 3 -11.761 -7.571 20.031 1.00 0.00 N ATOM 22 CA SER A 3 -10.530 -7.802 19.263 1.00 0.00 C ATOM 23 C SER A 3 -10.123 -6.614 18.376 1.00 0.00 C ATOM 24 O SER A 3 -10.962 -5.804 17.968 1.00 0.00 O ATOM 25 CB SER A 3 -10.694 -9.060 18.396 1.00 0.00 C ATOM 26 OG SER A 3 -11.187 -10.159 19.155 1.00 0.00 O ATOM 0 H SER A 3 -12.555 -8.091 19.658 1.00 0.00 H new ATOM 0 HA SER A 3 -9.730 -7.933 19.991 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.378 -8.849 17.574 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.734 -9.325 17.953 1.00 0.00 H new ATOM 0 HG SER A 3 -11.281 -10.942 18.573 1.00 0.00 H new ATOM 32 N GLY A 4 -8.834 -6.535 18.030 1.00 0.00 N ATOM 33 CA GLY A 4 -8.273 -5.547 17.097 1.00 0.00 C ATOM 34 C GLY A 4 -6.925 -5.992 16.517 1.00 0.00 C ATOM 35 O GLY A 4 -6.118 -6.609 17.218 1.00 0.00 O ATOM 0 H GLY A 4 -8.131 -7.174 18.401 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.978 -5.378 16.283 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.147 -4.595 17.612 1.00 0.00 H new ATOM 39 N SER A 5 -6.690 -5.695 15.236 1.00 0.00 N ATOM 40 CA SER A 5 -5.564 -6.207 14.428 1.00 0.00 C ATOM 41 C SER A 5 -4.569 -5.137 13.943 1.00 0.00 C ATOM 42 O SER A 5 -3.568 -5.467 13.305 1.00 0.00 O ATOM 43 CB SER A 5 -6.126 -6.997 13.238 1.00 0.00 C ATOM 44 OG SER A 5 -6.979 -6.176 12.451 1.00 0.00 O ATOM 0 H SER A 5 -7.297 -5.069 14.707 1.00 0.00 H new ATOM 0 HA SER A 5 -4.979 -6.847 15.088 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.307 -7.373 12.625 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.679 -7.865 13.599 1.00 0.00 H new ATOM 0 HG SER A 5 -7.327 -6.695 11.696 1.00 0.00 H new ATOM 50 N SER A 6 -4.814 -3.857 14.247 1.00 0.00 N ATOM 51 CA SER A 6 -4.088 -2.705 13.680 1.00 0.00 C ATOM 52 C SER A 6 -2.628 -2.561 14.144 1.00 0.00 C ATOM 53 O SER A 6 -1.819 -1.962 13.431 1.00 0.00 O ATOM 54 CB SER A 6 -4.843 -1.411 14.020 1.00 0.00 C ATOM 55 OG SER A 6 -6.223 -1.528 13.701 1.00 0.00 O ATOM 0 H SER A 6 -5.539 -3.583 14.910 1.00 0.00 H new ATOM 0 HA SER A 6 -4.047 -2.888 12.606 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.729 -1.187 15.081 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.408 -0.577 13.470 1.00 0.00 H new ATOM 0 HG SER A 6 -6.683 -0.693 13.928 1.00 0.00 H new ATOM 61 N GLY A 7 -2.292 -3.075 15.333 1.00 0.00 N ATOM 62 CA GLY A 7 -0.958 -3.019 15.956 1.00 0.00 C ATOM 63 C GLY A 7 -0.252 -1.646 15.961 1.00 0.00 C ATOM 64 O GLY A 7 0.897 -1.588 15.513 1.00 0.00 O ATOM 0 H GLY A 7 -2.971 -3.564 15.916 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.050 -3.358 16.988 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.313 -3.732 15.443 1.00 0.00 H new ATOM 68 N PRO A 8 -0.869 -0.531 16.420 1.00 0.00 N ATOM 69 CA PRO A 8 -0.306 0.811 16.236 1.00 0.00 C ATOM 70 C PRO A 8 0.976 1.046 17.057 1.00 0.00 C ATOM 71 O PRO A 8 0.936 1.064 18.291 1.00 0.00 O ATOM 72 CB PRO A 8 -1.424 1.799 16.611 1.00 0.00 C ATOM 73 CG PRO A 8 -2.696 0.957 16.554 1.00 0.00 C ATOM 74 CD PRO A 8 -2.191 -0.404 17.020 1.00 0.00 C ATOM 0 HA PRO A 8 0.013 0.949 15.203 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.268 2.220 17.604 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.468 2.636 15.914 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.475 1.349 17.207 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.114 0.915 15.548 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.139 -0.457 18.108 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.853 -1.206 16.693 1.00 0.00 H new ATOM 82 N ILE A 9 2.106 1.259 16.373 1.00 0.00 N ATOM 83 CA ILE A 9 3.417 1.611 16.954 1.00 0.00 C ATOM 84 C ILE A 9 4.158 2.655 16.099 1.00 0.00 C ATOM 85 O ILE A 9 3.942 2.749 14.888 1.00 0.00 O ATOM 86 CB ILE A 9 4.306 0.377 17.216 1.00 0.00 C ATOM 87 CG1 ILE A 9 4.667 -0.383 15.926 1.00 0.00 C ATOM 88 CG2 ILE A 9 3.676 -0.548 18.274 1.00 0.00 C ATOM 89 CD1 ILE A 9 5.762 -1.414 16.190 1.00 0.00 C ATOM 0 H ILE A 9 2.139 1.189 15.356 1.00 0.00 H new ATOM 0 HA ILE A 9 3.206 2.059 17.925 1.00 0.00 H new ATOM 0 HB ILE A 9 5.249 0.747 17.618 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.781 -0.880 15.532 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.002 0.322 15.165 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.325 -1.409 18.438 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.555 -0.002 19.209 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.702 -0.889 17.925 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.000 -1.938 15.264 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.654 -0.910 16.561 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.415 -2.131 16.934 1.00 0.00 H new ATOM 101 N SER A 10 5.060 3.416 16.724 1.00 0.00 N ATOM 102 CA SER A 10 5.911 4.441 16.085 1.00 0.00 C ATOM 103 C SER A 10 7.383 4.018 15.911 1.00 0.00 C ATOM 104 O SER A 10 8.199 4.788 15.402 1.00 0.00 O ATOM 105 CB SER A 10 5.808 5.746 16.885 1.00 0.00 C ATOM 106 OG SER A 10 6.195 5.536 18.238 1.00 0.00 O ATOM 0 H SER A 10 5.229 3.338 17.727 1.00 0.00 H new ATOM 0 HA SER A 10 5.535 4.583 15.072 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.444 6.507 16.433 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.786 6.122 16.848 1.00 0.00 H new ATOM 0 HG SER A 10 6.125 6.379 18.733 1.00 0.00 H new ATOM 112 N GLU A 11 7.743 2.798 16.327 1.00 0.00 N ATOM 113 CA GLU A 11 9.130 2.312 16.407 1.00 0.00 C ATOM 114 C GLU A 11 9.800 2.115 15.031 1.00 0.00 C ATOM 115 O GLU A 11 10.989 2.407 14.871 1.00 0.00 O ATOM 116 CB GLU A 11 9.112 0.985 17.188 1.00 0.00 C ATOM 117 CG GLU A 11 10.504 0.462 17.563 1.00 0.00 C ATOM 118 CD GLU A 11 10.397 -0.909 18.253 1.00 0.00 C ATOM 119 OE1 GLU A 11 10.571 -0.994 19.493 1.00 0.00 O ATOM 120 OE2 GLU A 11 10.138 -1.913 17.544 1.00 0.00 O ATOM 0 H GLU A 11 7.061 2.101 16.626 1.00 0.00 H new ATOM 0 HA GLU A 11 9.728 3.071 16.912 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.528 1.119 18.099 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.601 0.230 16.590 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.121 0.378 16.668 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.999 1.172 18.226 1.00 0.00 H new ATOM 127 N ARG A 12 9.044 1.614 14.042 1.00 0.00 N ATOM 128 CA ARG A 12 9.528 1.185 12.715 1.00 0.00 C ATOM 129 C ARG A 12 8.585 1.625 11.591 1.00 0.00 C ATOM 130 O ARG A 12 7.367 1.679 11.766 1.00 0.00 O ATOM 131 CB ARG A 12 9.715 -0.348 12.712 1.00 0.00 C ATOM 132 CG ARG A 12 11.026 -0.777 13.395 1.00 0.00 C ATOM 133 CD ARG A 12 11.093 -2.291 13.634 1.00 0.00 C ATOM 134 NE ARG A 12 10.268 -2.683 14.795 1.00 0.00 N ATOM 135 CZ ARG A 12 9.312 -3.587 14.870 1.00 0.00 C ATOM 136 NH1 ARG A 12 8.926 -4.309 13.856 1.00 0.00 N ATOM 137 NH2 ARG A 12 8.732 -3.764 16.016 1.00 0.00 N ATOM 0 H ARG A 12 8.037 1.490 14.146 1.00 0.00 H new ATOM 0 HA ARG A 12 10.486 1.668 12.525 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.872 -0.816 13.221 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.708 -0.711 11.684 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.871 -0.472 12.778 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.123 -0.257 14.348 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.748 -2.818 12.744 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.128 -2.590 13.801 1.00 0.00 H new ATOM 0 HE ARG A 12 10.466 -2.183 15.662 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.370 -4.188 12.946 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.180 -4.995 13.973 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.020 -3.212 16.824 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.988 -4.456 16.110 1.00 0.00 H new ATOM 151 N ASN A 13 9.146 1.883 10.408 1.00 0.00 N ATOM 152 CA ASN A 13 8.407 2.365 9.233 1.00 0.00 C ATOM 153 C ASN A 13 7.568 1.287 8.513 1.00 0.00 C ATOM 154 O ASN A 13 6.798 1.618 7.614 1.00 0.00 O ATOM 155 CB ASN A 13 9.370 3.100 8.282 1.00 0.00 C ATOM 156 CG ASN A 13 10.292 2.170 7.507 1.00 0.00 C ATOM 157 OD1 ASN A 13 10.954 1.301 8.061 1.00 0.00 O ATOM 158 ND2 ASN A 13 10.372 2.329 6.209 1.00 0.00 N ATOM 0 H ASN A 13 10.144 1.762 10.234 1.00 0.00 H new ATOM 0 HA ASN A 13 7.658 3.068 9.597 1.00 0.00 H new ATOM 0 HB2 ASN A 13 8.788 3.692 7.576 1.00 0.00 H new ATOM 0 HB3 ASN A 13 9.975 3.798 8.860 1.00 0.00 H new ATOM 0 HD21 ASN A 13 10.986 1.729 5.659 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.820 3.053 5.749 1.00 0.00 H new ATOM 165 N GLN A 14 7.636 0.018 8.931 1.00 0.00 N ATOM 166 CA GLN A 14 6.801 -1.077 8.404 1.00 0.00 C ATOM 167 C GLN A 14 5.317 -0.979 8.821 1.00 0.00 C ATOM 168 O GLN A 14 4.482 -1.708 8.286 1.00 0.00 O ATOM 169 CB GLN A 14 7.423 -2.430 8.801 1.00 0.00 C ATOM 170 CG GLN A 14 8.497 -2.924 7.813 1.00 0.00 C ATOM 171 CD GLN A 14 9.563 -1.879 7.491 1.00 0.00 C ATOM 172 OE1 GLN A 14 9.584 -1.287 6.421 1.00 0.00 O ATOM 173 NE2 GLN A 14 10.457 -1.574 8.409 1.00 0.00 N ATOM 0 H GLN A 14 8.283 -0.286 9.658 1.00 0.00 H new ATOM 0 HA GLN A 14 6.790 -0.989 7.318 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.866 -2.340 9.793 1.00 0.00 H new ATOM 0 HB3 GLN A 14 6.633 -3.178 8.871 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.981 -3.808 8.229 1.00 0.00 H new ATOM 0 HG3 GLN A 14 8.012 -3.232 6.887 1.00 0.00 H new ATOM 0 HE21 GLN A 14 10.452 -2.059 9.306 1.00 0.00 H new ATOM 0 HE22 GLN A 14 11.154 -0.853 8.223 1.00 0.00 H new ATOM 182 N ASP A 15 4.976 -0.063 9.736 1.00 0.00 N ATOM 183 CA ASP A 15 3.594 0.321 10.058 1.00 0.00 C ATOM 184 C ASP A 15 3.167 1.633 9.368 1.00 0.00 C ATOM 185 O ASP A 15 1.974 1.860 9.171 1.00 0.00 O ATOM 186 CB ASP A 15 3.419 0.376 11.581 1.00 0.00 C ATOM 187 CG ASP A 15 3.342 -1.038 12.173 1.00 0.00 C ATOM 188 OD1 ASP A 15 2.290 -1.693 12.000 1.00 0.00 O ATOM 189 OD2 ASP A 15 4.321 -1.491 12.809 1.00 0.00 O ATOM 0 H ASP A 15 5.669 0.444 10.286 1.00 0.00 H new ATOM 0 HA ASP A 15 2.924 -0.441 9.660 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.253 0.917 12.028 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.512 0.928 11.828 1.00 0.00 H new ATOM 194 N ALA A 16 4.121 2.475 8.943 1.00 0.00 N ATOM 195 CA ALA A 16 3.882 3.631 8.068 1.00 0.00 C ATOM 196 C ALA A 16 3.850 3.241 6.574 1.00 0.00 C ATOM 197 O ALA A 16 3.338 3.984 5.737 1.00 0.00 O ATOM 198 CB ALA A 16 4.957 4.688 8.341 1.00 0.00 C ATOM 0 H ALA A 16 5.101 2.368 9.204 1.00 0.00 H new ATOM 0 HA ALA A 16 2.897 4.039 8.294 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.790 5.551 7.697 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.905 4.998 9.385 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.941 4.267 8.136 1.00 0.00 H new ATOM 204 N THR A 17 4.376 2.064 6.233 1.00 0.00 N ATOM 205 CA THR A 17 4.267 1.438 4.912 1.00 0.00 C ATOM 206 C THR A 17 3.101 0.453 4.912 1.00 0.00 C ATOM 207 O THR A 17 2.930 -0.316 5.860 1.00 0.00 O ATOM 208 CB THR A 17 5.584 0.760 4.485 1.00 0.00 C ATOM 209 OG1 THR A 17 6.674 1.628 4.701 1.00 0.00 O ATOM 210 CG2 THR A 17 5.623 0.395 2.997 1.00 0.00 C ATOM 0 H THR A 17 4.910 1.498 6.893 1.00 0.00 H new ATOM 0 HA THR A 17 4.072 2.216 4.174 1.00 0.00 H new ATOM 0 HB THR A 17 5.646 -0.148 5.085 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.832 1.721 5.664 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.577 -0.078 2.763 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.810 -0.295 2.770 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.510 1.298 2.398 1.00 0.00 H new ATOM 218 N VAL A 18 2.309 0.449 3.842 1.00 0.00 N ATOM 219 CA VAL A 18 1.257 -0.543 3.582 1.00 0.00 C ATOM 220 C VAL A 18 1.691 -1.493 2.469 1.00 0.00 C ATOM 221 O VAL A 18 2.401 -1.095 1.546 1.00 0.00 O ATOM 222 CB VAL A 18 -0.117 0.098 3.285 1.00 0.00 C ATOM 223 CG1 VAL A 18 -0.509 1.091 4.383 1.00 0.00 C ATOM 224 CG2 VAL A 18 -0.192 0.850 1.953 1.00 0.00 C ATOM 0 H VAL A 18 2.380 1.154 3.108 1.00 0.00 H new ATOM 0 HA VAL A 18 1.120 -1.118 4.498 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.801 -0.750 3.239 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.480 1.528 4.149 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.566 0.572 5.340 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.239 1.881 4.443 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.191 1.267 1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.541 1.656 1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.020 0.162 1.134 1.00 0.00 H new ATOM 234 N TYR A 19 1.240 -2.739 2.551 1.00 0.00 N ATOM 235 CA TYR A 19 1.333 -3.755 1.503 1.00 0.00 C ATOM 236 C TYR A 19 0.027 -3.754 0.703 1.00 0.00 C ATOM 237 O TYR A 19 -1.053 -3.595 1.280 1.00 0.00 O ATOM 238 CB TYR A 19 1.584 -5.123 2.157 1.00 0.00 C ATOM 239 CG TYR A 19 1.303 -6.336 1.286 1.00 0.00 C ATOM 240 CD1 TYR A 19 -0.002 -6.870 1.227 1.00 0.00 C ATOM 241 CD2 TYR A 19 2.338 -6.945 0.552 1.00 0.00 C ATOM 242 CE1 TYR A 19 -0.271 -8.004 0.437 1.00 0.00 C ATOM 243 CE2 TYR A 19 2.076 -8.091 -0.226 1.00 0.00 C ATOM 244 CZ TYR A 19 0.769 -8.620 -0.291 1.00 0.00 C ATOM 245 OH TYR A 19 0.504 -9.722 -1.045 1.00 0.00 O ATOM 0 H TYR A 19 0.776 -3.088 3.390 1.00 0.00 H new ATOM 0 HA TYR A 19 2.158 -3.542 0.824 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.624 -5.165 2.480 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.969 -5.194 3.054 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.798 -6.407 1.791 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.336 -6.533 0.585 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.274 -8.402 0.388 1.00 0.00 H new ATOM 0 HE2 TYR A 19 2.877 -8.565 -0.774 1.00 0.00 H new ATOM 0 HH TYR A 19 1.327 -10.024 -1.484 1.00 0.00 H new ATOM 255 N VAL A 20 0.123 -3.964 -0.610 1.00 0.00 N ATOM 256 CA VAL A 20 -1.014 -4.104 -1.529 1.00 0.00 C ATOM 257 C VAL A 20 -0.813 -5.349 -2.391 1.00 0.00 C ATOM 258 O VAL A 20 0.052 -5.361 -3.265 1.00 0.00 O ATOM 259 CB VAL A 20 -1.177 -2.860 -2.425 1.00 0.00 C ATOM 260 CG1 VAL A 20 -2.471 -2.997 -3.236 1.00 0.00 C ATOM 261 CG2 VAL A 20 -1.242 -1.545 -1.640 1.00 0.00 C ATOM 0 H VAL A 20 1.024 -4.045 -1.082 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.924 -4.203 -0.938 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.294 -2.817 -3.063 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.595 -2.121 -3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.419 -3.892 -3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.320 -3.075 -2.557 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.357 -0.712 -2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.092 -1.570 -0.959 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.323 -1.417 -1.068 1.00 0.00 H new ATOM 271 N GLY A 21 -1.613 -6.390 -2.171 1.00 0.00 N ATOM 272 CA GLY A 21 -1.614 -7.622 -2.964 1.00 0.00 C ATOM 273 C GLY A 21 -2.783 -7.689 -3.949 1.00 0.00 C ATOM 274 O GLY A 21 -3.850 -7.136 -3.689 1.00 0.00 O ATOM 0 H GLY A 21 -2.298 -6.402 -1.416 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.676 -7.696 -3.514 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.659 -8.481 -2.294 1.00 0.00 H new ATOM 278 N GLY A 22 -2.594 -8.392 -5.065 1.00 0.00 N ATOM 279 CA GLY A 22 -3.638 -8.660 -6.068 1.00 0.00 C ATOM 280 C GLY A 22 -3.705 -7.619 -7.191 1.00 0.00 C ATOM 281 O GLY A 22 -4.792 -7.272 -7.654 1.00 0.00 O ATOM 0 H GLY A 22 -1.692 -8.803 -5.307 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.462 -9.642 -6.507 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.606 -8.703 -5.568 1.00 0.00 H new ATOM 285 N LEU A 23 -2.549 -7.089 -7.599 1.00 0.00 N ATOM 286 CA LEU A 23 -2.412 -5.987 -8.548 1.00 0.00 C ATOM 287 C LEU A 23 -2.485 -6.470 -10.001 1.00 0.00 C ATOM 288 O LEU A 23 -2.002 -7.552 -10.343 1.00 0.00 O ATOM 289 CB LEU A 23 -1.085 -5.252 -8.285 1.00 0.00 C ATOM 290 CG LEU A 23 -0.988 -4.587 -6.902 1.00 0.00 C ATOM 291 CD1 LEU A 23 0.367 -3.903 -6.767 1.00 0.00 C ATOM 292 CD2 LEU A 23 -2.088 -3.547 -6.696 1.00 0.00 C ATOM 0 H LEU A 23 -1.649 -7.431 -7.263 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.246 -5.301 -8.400 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.264 -5.961 -8.392 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.949 -4.489 -9.051 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.106 -5.365 -6.148 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.440 -3.430 -5.788 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.160 -4.643 -6.873 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.471 -3.146 -7.544 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.985 -3.100 -5.707 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.002 -2.771 -7.456 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.063 -4.028 -6.777 1.00 0.00 H new ATOM 304 N ASP A 24 -3.048 -5.631 -10.868 1.00 0.00 N ATOM 305 CA ASP A 24 -3.127 -5.878 -12.308 1.00 0.00 C ATOM 306 C ASP A 24 -1.840 -5.457 -13.047 1.00 0.00 C ATOM 307 O ASP A 24 -1.099 -4.590 -12.585 1.00 0.00 O ATOM 308 CB ASP A 24 -4.361 -5.149 -12.858 1.00 0.00 C ATOM 309 CG ASP A 24 -4.570 -5.421 -14.347 1.00 0.00 C ATOM 310 OD1 ASP A 24 -4.141 -4.586 -15.173 1.00 0.00 O ATOM 311 OD2 ASP A 24 -5.129 -6.487 -14.689 1.00 0.00 O ATOM 0 H ASP A 24 -3.469 -4.746 -10.586 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.226 -6.950 -12.480 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.245 -5.465 -12.304 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.250 -4.077 -12.697 1.00 0.00 H new ATOM 316 N GLU A 25 -1.575 -6.024 -14.228 1.00 0.00 N ATOM 317 CA GLU A 25 -0.402 -5.692 -15.057 1.00 0.00 C ATOM 318 C GLU A 25 -0.300 -4.204 -15.467 1.00 0.00 C ATOM 319 O GLU A 25 0.798 -3.730 -15.765 1.00 0.00 O ATOM 320 CB GLU A 25 -0.359 -6.614 -16.289 1.00 0.00 C ATOM 321 CG GLU A 25 -1.536 -6.427 -17.261 1.00 0.00 C ATOM 322 CD GLU A 25 -1.413 -7.385 -18.461 1.00 0.00 C ATOM 323 OE1 GLU A 25 -0.829 -6.994 -19.501 1.00 0.00 O ATOM 324 OE2 GLU A 25 -1.904 -8.537 -18.377 1.00 0.00 O ATOM 0 H GLU A 25 -2.174 -6.736 -14.645 1.00 0.00 H new ATOM 0 HA GLU A 25 0.473 -5.864 -14.430 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.573 -6.439 -16.827 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.342 -7.651 -15.952 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.476 -6.609 -16.740 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.561 -5.396 -17.614 1.00 0.00 H new ATOM 331 N LYS A 26 -1.411 -3.449 -15.441 1.00 0.00 N ATOM 332 CA LYS A 26 -1.446 -1.996 -15.704 1.00 0.00 C ATOM 333 C LYS A 26 -1.035 -1.125 -14.502 1.00 0.00 C ATOM 334 O LYS A 26 -0.834 0.079 -14.668 1.00 0.00 O ATOM 335 CB LYS A 26 -2.839 -1.608 -16.229 1.00 0.00 C ATOM 336 CG LYS A 26 -3.121 -2.243 -17.602 1.00 0.00 C ATOM 337 CD LYS A 26 -4.482 -1.838 -18.188 1.00 0.00 C ATOM 338 CE LYS A 26 -5.699 -2.287 -17.365 1.00 0.00 C ATOM 339 NZ LYS A 26 -5.776 -3.764 -17.227 1.00 0.00 N ATOM 0 H LYS A 26 -2.331 -3.838 -15.232 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.690 -1.792 -16.462 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.599 -1.927 -15.516 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.910 -0.523 -16.307 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.333 -1.954 -18.297 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.081 -3.328 -17.508 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.510 -0.753 -18.289 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.567 -2.253 -19.192 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.651 -1.834 -16.375 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.610 -1.921 -17.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.773 -4.058 -17.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.307 -4.213 -18.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.302 -4.056 -16.349 1.00 0.00 H new ATOM 353 N VAL A 27 -0.891 -1.701 -13.304 1.00 0.00 N ATOM 354 CA VAL A 27 -0.479 -0.987 -12.078 1.00 0.00 C ATOM 355 C VAL A 27 1.024 -0.671 -12.087 1.00 0.00 C ATOM 356 O VAL A 27 1.840 -1.516 -12.464 1.00 0.00 O ATOM 357 CB VAL A 27 -0.873 -1.786 -10.818 1.00 0.00 C ATOM 358 CG1 VAL A 27 -0.420 -1.099 -9.528 1.00 0.00 C ATOM 359 CG2 VAL A 27 -2.397 -1.972 -10.739 1.00 0.00 C ATOM 0 H VAL A 27 -1.059 -2.695 -13.150 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.011 -0.036 -12.055 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.372 -2.750 -10.907 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.721 -1.701 -8.670 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.665 -0.993 -9.534 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.881 -0.113 -9.460 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.648 -2.538 -9.842 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.881 -0.996 -10.700 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.744 -2.514 -11.619 1.00 0.00 H new ATOM 369 N SER A 28 1.397 0.532 -11.637 1.00 0.00 N ATOM 370 CA SER A 28 2.789 1.009 -11.541 1.00 0.00 C ATOM 371 C SER A 28 3.065 1.750 -10.223 1.00 0.00 C ATOM 372 O SER A 28 2.140 2.209 -9.559 1.00 0.00 O ATOM 373 CB SER A 28 3.092 1.916 -12.741 1.00 0.00 C ATOM 374 OG SER A 28 2.330 3.114 -12.669 1.00 0.00 O ATOM 0 H SER A 28 0.720 1.225 -11.319 1.00 0.00 H new ATOM 0 HA SER A 28 3.446 0.140 -11.553 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.155 2.156 -12.763 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.865 1.389 -13.668 1.00 0.00 H new ATOM 0 HG SER A 28 2.538 3.681 -13.441 1.00 0.00 H new ATOM 380 N GLU A 29 4.335 1.916 -9.835 1.00 0.00 N ATOM 381 CA GLU A 29 4.710 2.712 -8.647 1.00 0.00 C ATOM 382 C GLU A 29 4.150 4.153 -8.679 1.00 0.00 C ATOM 383 O GLU A 29 3.541 4.560 -7.686 1.00 0.00 O ATOM 384 CB GLU A 29 6.247 2.740 -8.490 1.00 0.00 C ATOM 385 CG GLU A 29 6.795 1.693 -7.514 1.00 0.00 C ATOM 386 CD GLU A 29 8.332 1.542 -7.595 1.00 0.00 C ATOM 387 OE1 GLU A 29 8.843 0.433 -7.303 1.00 0.00 O ATOM 388 OE2 GLU A 29 9.044 2.519 -7.932 1.00 0.00 O ATOM 0 H GLU A 29 5.130 1.508 -10.327 1.00 0.00 H new ATOM 0 HA GLU A 29 4.258 2.221 -7.785 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.704 2.585 -9.467 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.549 3.731 -8.151 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.515 1.969 -6.497 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.329 0.730 -7.722 1.00 0.00 H new ATOM 395 N PRO A 30 4.244 4.919 -9.791 1.00 0.00 N ATOM 396 CA PRO A 30 3.597 6.229 -9.899 1.00 0.00 C ATOM 397 C PRO A 30 2.076 6.195 -9.691 1.00 0.00 C ATOM 398 O PRO A 30 1.526 7.131 -9.107 1.00 0.00 O ATOM 399 CB PRO A 30 3.951 6.752 -11.294 1.00 0.00 C ATOM 400 CG PRO A 30 5.290 6.081 -11.583 1.00 0.00 C ATOM 401 CD PRO A 30 5.108 4.707 -10.944 1.00 0.00 C ATOM 0 HA PRO A 30 3.957 6.881 -9.103 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.196 6.479 -12.031 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.033 7.839 -11.309 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.487 6.009 -12.653 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.123 6.628 -11.141 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.658 4.005 -11.646 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.067 4.286 -10.642 1.00 0.00 H new ATOM 409 N LEU A 31 1.394 5.112 -10.097 1.00 0.00 N ATOM 410 CA LEU A 31 -0.032 4.934 -9.814 1.00 0.00 C ATOM 411 C LEU A 31 -0.251 4.738 -8.314 1.00 0.00 C ATOM 412 O LEU A 31 -1.049 5.452 -7.715 1.00 0.00 O ATOM 413 CB LEU A 31 -0.597 3.746 -10.612 1.00 0.00 C ATOM 414 CG LEU A 31 -2.116 3.559 -10.434 1.00 0.00 C ATOM 415 CD1 LEU A 31 -2.889 4.652 -11.161 1.00 0.00 C ATOM 416 CD2 LEU A 31 -2.525 2.211 -11.015 1.00 0.00 C ATOM 0 H LEU A 31 1.813 4.346 -10.624 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.566 5.832 -10.125 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.377 3.891 -11.670 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.087 2.834 -10.302 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.346 3.609 -9.370 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.959 4.497 -11.020 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.607 5.625 -10.759 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.655 4.617 -12.225 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.599 2.073 -10.892 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.274 2.181 -12.075 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.995 1.414 -10.494 1.00 0.00 H new ATOM 428 N LEU A 32 0.483 3.811 -7.694 1.00 0.00 N ATOM 429 CA LEU A 32 0.366 3.531 -6.260 1.00 0.00 C ATOM 430 C LEU A 32 0.717 4.730 -5.378 1.00 0.00 C ATOM 431 O LEU A 32 0.261 4.808 -4.245 1.00 0.00 O ATOM 432 CB LEU A 32 1.264 2.354 -5.857 1.00 0.00 C ATOM 433 CG LEU A 32 0.973 1.022 -6.544 1.00 0.00 C ATOM 434 CD1 LEU A 32 1.711 -0.089 -5.810 1.00 0.00 C ATOM 435 CD2 LEU A 32 -0.514 0.692 -6.535 1.00 0.00 C ATOM 0 H LEU A 32 1.175 3.233 -8.171 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.684 3.287 -6.097 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.299 2.627 -6.061 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.179 2.210 -4.780 1.00 0.00 H new ATOM 0 HG LEU A 32 1.305 1.104 -7.579 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.508 -1.043 -6.295 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.783 0.109 -5.833 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.372 -0.129 -4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.678 -0.263 -7.034 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.867 0.629 -5.505 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.063 1.474 -7.060 1.00 0.00 H new ATOM 447 N TRP A 33 1.499 5.675 -5.886 1.00 0.00 N ATOM 448 CA TRP A 33 1.743 6.946 -5.219 1.00 0.00 C ATOM 449 C TRP A 33 0.522 7.865 -5.327 1.00 0.00 C ATOM 450 O TRP A 33 -0.139 8.151 -4.331 1.00 0.00 O ATOM 451 CB TRP A 33 3.012 7.577 -5.798 1.00 0.00 C ATOM 452 CG TRP A 33 3.682 8.619 -4.961 1.00 0.00 C ATOM 453 CD1 TRP A 33 3.107 9.658 -4.311 1.00 0.00 C ATOM 454 CD2 TRP A 33 5.107 8.718 -4.688 1.00 0.00 C ATOM 455 NE1 TRP A 33 4.083 10.382 -3.647 1.00 0.00 N ATOM 456 CE2 TRP A 33 5.339 9.852 -3.857 1.00 0.00 C ATOM 457 CE3 TRP A 33 6.221 7.950 -5.077 1.00 0.00 C ATOM 458 CZ2 TRP A 33 6.627 10.214 -3.438 1.00 0.00 C ATOM 459 CZ3 TRP A 33 7.520 8.304 -4.665 1.00 0.00 C ATOM 460 CH2 TRP A 33 7.724 9.435 -3.852 1.00 0.00 C ATOM 0 H TRP A 33 1.984 5.579 -6.778 1.00 0.00 H new ATOM 0 HA TRP A 33 1.902 6.783 -4.153 1.00 0.00 H new ATOM 0 HB2 TRP A 33 3.731 6.781 -5.991 1.00 0.00 H new ATOM 0 HB3 TRP A 33 2.763 8.022 -6.761 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.051 9.887 -4.310 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.896 11.205 -3.074 1.00 0.00 H new ATOM 0 HE3 TRP A 33 6.077 7.079 -5.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 6.775 11.078 -2.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 8.364 7.705 -4.974 1.00 0.00 H new ATOM 0 HH2 TRP A 33 8.724 9.705 -3.545 1.00 0.00 H new ATOM 471 N GLU A 34 0.196 8.302 -6.543 1.00 0.00 N ATOM 472 CA GLU A 34 -0.847 9.312 -6.791 1.00 0.00 C ATOM 473 C GLU A 34 -2.267 8.857 -6.413 1.00 0.00 C ATOM 474 O GLU A 34 -3.081 9.677 -5.988 1.00 0.00 O ATOM 475 CB GLU A 34 -0.815 9.752 -8.262 1.00 0.00 C ATOM 476 CG GLU A 34 0.483 10.494 -8.594 1.00 0.00 C ATOM 477 CD GLU A 34 0.394 11.188 -9.968 1.00 0.00 C ATOM 478 OE1 GLU A 34 0.736 10.561 -11.001 1.00 0.00 O ATOM 479 OE2 GLU A 34 -0.012 12.375 -10.026 1.00 0.00 O ATOM 0 H GLU A 34 0.648 7.966 -7.393 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.613 10.150 -6.135 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.912 8.879 -8.907 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.668 10.398 -8.469 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.689 11.236 -7.822 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.317 9.792 -8.592 1.00 0.00 H new ATOM 486 N LEU A 35 -2.558 7.557 -6.508 1.00 0.00 N ATOM 487 CA LEU A 35 -3.837 6.976 -6.082 1.00 0.00 C ATOM 488 C LEU A 35 -3.999 7.019 -4.550 1.00 0.00 C ATOM 489 O LEU A 35 -5.106 7.215 -4.053 1.00 0.00 O ATOM 490 CB LEU A 35 -3.938 5.527 -6.608 1.00 0.00 C ATOM 491 CG LEU A 35 -5.373 4.977 -6.666 1.00 0.00 C ATOM 492 CD1 LEU A 35 -6.110 5.462 -7.914 1.00 0.00 C ATOM 493 CD2 LEU A 35 -5.370 3.448 -6.651 1.00 0.00 C ATOM 0 H LEU A 35 -1.906 6.870 -6.887 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.648 7.571 -6.502 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.503 5.484 -7.607 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.337 4.878 -5.971 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.893 5.350 -5.783 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.121 5.054 -7.921 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.159 6.551 -7.908 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.577 5.128 -8.804 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.396 3.082 -6.693 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.817 3.077 -7.514 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.895 3.094 -5.736 1.00 0.00 H new ATOM 505 N PHE A 36 -2.910 6.864 -3.791 1.00 0.00 N ATOM 506 CA PHE A 36 -2.907 6.771 -2.326 1.00 0.00 C ATOM 507 C PHE A 36 -2.768 8.127 -1.619 1.00 0.00 C ATOM 508 O PHE A 36 -3.054 8.218 -0.423 1.00 0.00 O ATOM 509 CB PHE A 36 -1.841 5.760 -1.894 1.00 0.00 C ATOM 510 CG PHE A 36 -2.276 4.300 -1.978 1.00 0.00 C ATOM 511 CD1 PHE A 36 -2.547 3.573 -0.801 1.00 0.00 C ATOM 512 CD2 PHE A 36 -2.415 3.657 -3.225 1.00 0.00 C ATOM 513 CE1 PHE A 36 -2.965 2.231 -0.870 1.00 0.00 C ATOM 514 CE2 PHE A 36 -2.813 2.309 -3.296 1.00 0.00 C ATOM 515 CZ PHE A 36 -3.104 1.600 -2.118 1.00 0.00 C ATOM 0 H PHE A 36 -1.974 6.797 -4.192 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.886 6.414 -2.007 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.956 5.898 -2.515 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.547 5.979 -0.868 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.433 4.050 0.161 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.214 4.204 -4.134 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.179 1.685 0.037 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.895 1.820 -4.255 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.434 0.573 -2.172 1.00 0.00 H new ATOM 525 N LEU A 37 -2.450 9.202 -2.351 1.00 0.00 N ATOM 526 CA LEU A 37 -2.509 10.589 -1.859 1.00 0.00 C ATOM 527 C LEU A 37 -3.895 11.001 -1.315 1.00 0.00 C ATOM 528 O LEU A 37 -4.009 11.967 -0.559 1.00 0.00 O ATOM 529 CB LEU A 37 -2.075 11.539 -2.991 1.00 0.00 C ATOM 530 CG LEU A 37 -0.573 11.540 -3.322 1.00 0.00 C ATOM 531 CD1 LEU A 37 -0.292 12.535 -4.445 1.00 0.00 C ATOM 532 CD2 LEU A 37 0.280 11.937 -2.117 1.00 0.00 C ATOM 0 H LEU A 37 -2.138 9.134 -3.320 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.828 10.658 -1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.627 11.275 -3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.370 12.553 -2.722 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.312 10.525 -3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.773 12.532 -4.676 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.856 12.250 -5.333 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.592 13.534 -4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.333 11.924 -2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.004 12.939 -1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.112 11.231 -1.304 1.00 0.00 H new ATOM 544 N GLN A 38 -4.945 10.249 -1.662 1.00 0.00 N ATOM 545 CA GLN A 38 -6.305 10.384 -1.111 1.00 0.00 C ATOM 546 C GLN A 38 -6.367 10.074 0.393 1.00 0.00 C ATOM 547 O GLN A 38 -7.146 10.691 1.123 1.00 0.00 O ATOM 548 CB GLN A 38 -7.268 9.428 -1.837 1.00 0.00 C ATOM 549 CG GLN A 38 -7.272 9.632 -3.353 1.00 0.00 C ATOM 550 CD GLN A 38 -8.292 8.731 -4.044 1.00 0.00 C ATOM 551 OE1 GLN A 38 -9.449 9.083 -4.241 1.00 0.00 O ATOM 552 NE2 GLN A 38 -7.911 7.530 -4.423 1.00 0.00 N ATOM 0 H GLN A 38 -4.873 9.505 -2.356 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.597 11.423 -1.262 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.988 8.398 -1.614 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.277 9.574 -1.452 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.496 10.675 -3.579 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.278 9.427 -3.750 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.950 7.226 -4.264 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.576 6.903 -4.876 1.00 0.00 H new ATOM 561 N ALA A 39 -5.555 9.118 0.860 1.00 0.00 N ATOM 562 CA ALA A 39 -5.497 8.729 2.269 1.00 0.00 C ATOM 563 C ALA A 39 -4.692 9.727 3.122 1.00 0.00 C ATOM 564 O ALA A 39 -5.134 10.135 4.199 1.00 0.00 O ATOM 565 CB ALA A 39 -4.883 7.333 2.366 1.00 0.00 C ATOM 0 H ALA A 39 -4.916 8.591 0.265 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.512 8.728 2.666 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.833 7.029 3.412 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.499 6.625 1.811 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.878 7.347 1.944 1.00 0.00 H new ATOM 571 N GLY A 40 -3.517 10.124 2.629 1.00 0.00 N ATOM 572 CA GLY A 40 -2.596 11.046 3.294 1.00 0.00 C ATOM 573 C GLY A 40 -1.317 11.293 2.479 1.00 0.00 C ATOM 574 O GLY A 40 -1.224 10.848 1.333 1.00 0.00 O ATOM 0 H GLY A 40 -3.170 9.801 1.726 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.101 11.996 3.468 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.328 10.644 4.271 1.00 0.00 H new ATOM 578 N PRO A 41 -0.317 11.990 3.045 1.00 0.00 N ATOM 579 CA PRO A 41 0.939 12.300 2.365 1.00 0.00 C ATOM 580 C PRO A 41 1.781 11.037 2.123 1.00 0.00 C ATOM 581 O PRO A 41 2.333 10.445 3.056 1.00 0.00 O ATOM 582 CB PRO A 41 1.643 13.323 3.265 1.00 0.00 C ATOM 583 CG PRO A 41 1.091 13.012 4.655 1.00 0.00 C ATOM 584 CD PRO A 41 -0.346 12.583 4.371 1.00 0.00 C ATOM 0 HA PRO A 41 0.775 12.709 1.368 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.727 13.211 3.229 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.418 14.346 2.963 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.658 12.221 5.146 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.129 13.884 5.308 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.696 11.867 5.114 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.025 13.435 4.405 1.00 0.00 H new ATOM 592 N VAL A 42 1.893 10.638 0.852 1.00 0.00 N ATOM 593 CA VAL A 42 2.754 9.538 0.388 1.00 0.00 C ATOM 594 C VAL A 42 4.175 10.057 0.150 1.00 0.00 C ATOM 595 O VAL A 42 4.378 11.102 -0.472 1.00 0.00 O ATOM 596 CB VAL A 42 2.194 8.858 -0.878 1.00 0.00 C ATOM 597 CG1 VAL A 42 3.102 7.714 -1.346 1.00 0.00 C ATOM 598 CG2 VAL A 42 0.795 8.274 -0.647 1.00 0.00 C ATOM 0 H VAL A 42 1.374 11.082 0.094 1.00 0.00 H new ATOM 0 HA VAL A 42 2.778 8.777 1.168 1.00 0.00 H new ATOM 0 HB VAL A 42 2.145 9.639 -1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.679 7.256 -2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.093 8.106 -1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.180 6.966 -0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.440 7.805 -1.565 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.838 7.529 0.148 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.111 9.072 -0.359 1.00 0.00 H new ATOM 608 N VAL A 43 5.156 9.308 0.652 1.00 0.00 N ATOM 609 CA VAL A 43 6.585 9.664 0.711 1.00 0.00 C ATOM 610 C VAL A 43 7.424 8.828 -0.263 1.00 0.00 C ATOM 611 O VAL A 43 8.431 9.308 -0.784 1.00 0.00 O ATOM 612 CB VAL A 43 7.117 9.457 2.147 1.00 0.00 C ATOM 613 CG1 VAL A 43 8.473 10.129 2.378 1.00 0.00 C ATOM 614 CG2 VAL A 43 6.172 10.013 3.215 1.00 0.00 C ATOM 0 H VAL A 43 4.972 8.387 1.051 1.00 0.00 H new ATOM 0 HA VAL A 43 6.674 10.711 0.422 1.00 0.00 H new ATOM 0 HB VAL A 43 7.205 8.375 2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.798 9.951 3.403 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.207 9.714 1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.381 11.202 2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.597 9.839 4.203 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.038 11.084 3.061 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.206 9.513 3.143 1.00 0.00 H new ATOM 624 N ASN A 44 7.031 7.568 -0.474 1.00 0.00 N ATOM 625 CA ASN A 44 7.754 6.560 -1.254 1.00 0.00 C ATOM 626 C ASN A 44 6.807 5.408 -1.687 1.00 0.00 C ATOM 627 O ASN A 44 5.745 5.206 -1.093 1.00 0.00 O ATOM 628 CB ASN A 44 8.940 6.098 -0.375 1.00 0.00 C ATOM 629 CG ASN A 44 9.696 4.888 -0.892 1.00 0.00 C ATOM 630 OD1 ASN A 44 10.093 4.824 -2.046 1.00 0.00 O ATOM 631 ND2 ASN A 44 9.914 3.901 -0.055 1.00 0.00 N ATOM 0 H ASN A 44 6.159 7.207 -0.087 1.00 0.00 H new ATOM 0 HA ASN A 44 8.138 6.962 -2.191 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.640 6.927 -0.273 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.565 5.873 0.623 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.419 3.071 -0.366 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.579 3.964 0.906 1.00 0.00 H new ATOM 638 N THR A 45 7.200 4.629 -2.696 1.00 0.00 N ATOM 639 CA THR A 45 6.510 3.417 -3.190 1.00 0.00 C ATOM 640 C THR A 45 7.512 2.321 -3.572 1.00 0.00 C ATOM 641 O THR A 45 8.647 2.623 -3.946 1.00 0.00 O ATOM 642 CB THR A 45 5.643 3.692 -4.432 1.00 0.00 C ATOM 643 OG1 THR A 45 6.305 4.521 -5.368 1.00 0.00 O ATOM 644 CG2 THR A 45 4.295 4.323 -4.128 1.00 0.00 C ATOM 0 H THR A 45 8.050 4.829 -3.223 1.00 0.00 H new ATOM 0 HA THR A 45 5.874 3.094 -2.366 1.00 0.00 H new ATOM 0 HB THR A 45 5.470 2.700 -4.848 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.723 4.671 -6.142 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.750 4.482 -5.058 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.721 3.661 -3.480 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.446 5.279 -3.627 1.00 0.00 H new ATOM 652 N HIS A 46 7.096 1.050 -3.534 1.00 0.00 N ATOM 653 CA HIS A 46 7.924 -0.087 -3.970 1.00 0.00 C ATOM 654 C HIS A 46 7.104 -1.169 -4.690 1.00 0.00 C ATOM 655 O HIS A 46 6.045 -1.555 -4.204 1.00 0.00 O ATOM 656 CB HIS A 46 8.660 -0.683 -2.758 1.00 0.00 C ATOM 657 CG HIS A 46 9.816 -1.560 -3.168 1.00 0.00 C ATOM 658 ND1 HIS A 46 9.736 -2.924 -3.458 1.00 0.00 N ATOM 659 CD2 HIS A 46 11.098 -1.140 -3.375 1.00 0.00 C ATOM 660 CE1 HIS A 46 10.974 -3.297 -3.825 1.00 0.00 C ATOM 661 NE2 HIS A 46 11.811 -2.246 -3.782 1.00 0.00 N ATOM 0 H HIS A 46 6.172 0.777 -3.199 1.00 0.00 H new ATOM 0 HA HIS A 46 8.649 0.288 -4.693 1.00 0.00 H new ATOM 0 HB2 HIS A 46 9.026 0.125 -2.124 1.00 0.00 H new ATOM 0 HB3 HIS A 46 7.959 -1.265 -2.160 1.00 0.00 H new ATOM 0 HD2 HIS A 46 11.479 -0.138 -3.245 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.256 -4.299 -4.113 1.00 0.00 H new ATOM 0 HE2 HIS A 46 12.805 -2.264 -4.012 1.00 0.00 H new ATOM 669 N MET A 47 7.585 -1.681 -5.823 1.00 0.00 N ATOM 670 CA MET A 47 6.977 -2.788 -6.577 1.00 0.00 C ATOM 671 C MET A 47 8.045 -3.836 -6.952 1.00 0.00 C ATOM 672 O MET A 47 8.807 -3.615 -7.901 1.00 0.00 O ATOM 673 CB MET A 47 6.273 -2.232 -7.829 1.00 0.00 C ATOM 674 CG MET A 47 4.905 -1.632 -7.481 1.00 0.00 C ATOM 675 SD MET A 47 3.565 -2.839 -7.439 1.00 0.00 S ATOM 676 CE MET A 47 3.164 -2.935 -9.195 1.00 0.00 C ATOM 0 H MET A 47 8.437 -1.328 -6.259 1.00 0.00 H new ATOM 0 HA MET A 47 6.234 -3.286 -5.954 1.00 0.00 H new ATOM 0 HB2 MET A 47 6.899 -1.470 -8.292 1.00 0.00 H new ATOM 0 HB3 MET A 47 6.147 -3.029 -8.562 1.00 0.00 H new ATOM 0 HG2 MET A 47 4.971 -1.143 -6.509 1.00 0.00 H new ATOM 0 HG3 MET A 47 4.662 -0.860 -8.211 1.00 0.00 H new ATOM 0 HE1 MET A 47 2.385 -3.682 -9.350 1.00 0.00 H new ATOM 0 HE2 MET A 47 2.809 -1.964 -9.541 1.00 0.00 H new ATOM 0 HE3 MET A 47 4.055 -3.217 -9.757 1.00 0.00 H new ATOM 686 N PRO A 48 8.117 -4.982 -6.243 1.00 0.00 N ATOM 687 CA PRO A 48 9.060 -6.062 -6.544 1.00 0.00 C ATOM 688 C PRO A 48 8.885 -6.652 -7.951 1.00 0.00 C ATOM 689 O PRO A 48 7.764 -6.781 -8.453 1.00 0.00 O ATOM 690 CB PRO A 48 8.851 -7.119 -5.454 1.00 0.00 C ATOM 691 CG PRO A 48 8.337 -6.292 -4.280 1.00 0.00 C ATOM 692 CD PRO A 48 7.458 -5.254 -4.972 1.00 0.00 C ATOM 0 HA PRO A 48 10.080 -5.678 -6.545 1.00 0.00 H new ATOM 0 HB2 PRO A 48 8.132 -7.879 -5.760 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.778 -7.637 -5.209 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.770 -6.898 -3.573 1.00 0.00 H new ATOM 0 HG3 PRO A 48 9.151 -5.829 -3.722 1.00 0.00 H new ATOM 0 HD2 PRO A 48 6.448 -5.633 -5.125 1.00 0.00 H new ATOM 0 HD3 PRO A 48 7.371 -4.348 -4.372 1.00 0.00 H new ATOM 700 N LYS A 49 10.006 -7.032 -8.576 1.00 0.00 N ATOM 701 CA LYS A 49 10.086 -7.505 -9.970 1.00 0.00 C ATOM 702 C LYS A 49 10.484 -8.977 -10.094 1.00 0.00 C ATOM 703 O LYS A 49 11.066 -9.574 -9.187 1.00 0.00 O ATOM 704 CB LYS A 49 11.062 -6.617 -10.771 1.00 0.00 C ATOM 705 CG LYS A 49 10.639 -5.147 -10.939 1.00 0.00 C ATOM 706 CD LYS A 49 9.244 -5.000 -11.573 1.00 0.00 C ATOM 707 CE LYS A 49 9.041 -3.662 -12.295 1.00 0.00 C ATOM 708 NZ LYS A 49 9.808 -3.602 -13.570 1.00 0.00 N ATOM 0 H LYS A 49 10.915 -7.020 -8.113 1.00 0.00 H new ATOM 0 HA LYS A 49 9.081 -7.426 -10.384 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.035 -6.643 -10.280 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.193 -7.054 -11.761 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.644 -4.658 -9.965 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.372 -4.631 -11.559 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.087 -5.814 -12.281 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.487 -5.103 -10.796 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.981 -3.517 -12.501 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.354 -2.846 -11.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.415 -2.855 -14.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.806 -3.392 -13.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.740 -4.517 -14.059 1.00 0.00 H new ATOM 722 N ASP A 50 10.172 -9.554 -11.248 1.00 0.00 N ATOM 723 CA ASP A 50 10.604 -10.882 -11.684 1.00 0.00 C ATOM 724 C ASP A 50 11.959 -10.846 -12.414 1.00 0.00 C ATOM 725 O ASP A 50 12.191 -9.993 -13.274 1.00 0.00 O ATOM 726 CB ASP A 50 9.501 -11.476 -12.562 1.00 0.00 C ATOM 727 CG ASP A 50 9.901 -12.859 -13.073 1.00 0.00 C ATOM 728 OD1 ASP A 50 10.438 -12.913 -14.202 1.00 0.00 O ATOM 729 OD2 ASP A 50 9.744 -13.858 -12.333 1.00 0.00 O ATOM 0 H ASP A 50 9.584 -9.089 -11.940 1.00 0.00 H new ATOM 0 HA ASP A 50 10.763 -11.514 -10.810 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.575 -11.548 -11.992 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.305 -10.814 -13.406 1.00 0.00 H new ATOM 734 N ARG A 51 12.851 -11.798 -12.109 1.00 0.00 N ATOM 735 CA ARG A 51 14.241 -11.837 -12.611 1.00 0.00 C ATOM 736 C ARG A 51 14.426 -12.442 -14.016 1.00 0.00 C ATOM 737 O ARG A 51 15.565 -12.667 -14.431 1.00 0.00 O ATOM 738 CB ARG A 51 15.162 -12.461 -11.546 1.00 0.00 C ATOM 739 CG ARG A 51 14.923 -13.965 -11.324 1.00 0.00 C ATOM 740 CD ARG A 51 15.874 -14.553 -10.276 1.00 0.00 C ATOM 741 NE ARG A 51 15.597 -14.042 -8.914 1.00 0.00 N ATOM 742 CZ ARG A 51 16.320 -13.194 -8.203 1.00 0.00 C ATOM 743 NH1 ARG A 51 17.421 -12.661 -8.652 1.00 0.00 N ATOM 744 NH2 ARG A 51 15.939 -12.853 -7.004 1.00 0.00 N ATOM 0 H ARG A 51 12.627 -12.581 -11.494 1.00 0.00 H new ATOM 0 HA ARG A 51 14.539 -10.801 -12.771 1.00 0.00 H new ATOM 0 HB2 ARG A 51 16.200 -12.307 -11.841 1.00 0.00 H new ATOM 0 HB3 ARG A 51 15.018 -11.936 -10.602 1.00 0.00 H new ATOM 0 HG2 ARG A 51 13.892 -14.125 -11.007 1.00 0.00 H new ATOM 0 HG3 ARG A 51 15.052 -14.495 -12.268 1.00 0.00 H new ATOM 0 HD2 ARG A 51 15.786 -15.639 -10.278 1.00 0.00 H new ATOM 0 HD3 ARG A 51 16.902 -14.315 -10.548 1.00 0.00 H new ATOM 0 HE ARG A 51 14.745 -14.386 -8.471 1.00 0.00 H new ATOM 0 HH11 ARG A 51 17.756 -12.894 -9.587 1.00 0.00 H new ATOM 0 HH12 ARG A 51 17.948 -12.011 -8.069 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.081 -13.241 -6.612 1.00 0.00 H new ATOM 0 HH22 ARG A 51 16.499 -12.198 -6.458 1.00 0.00 H new ATOM 758 N VAL A 52 13.339 -12.715 -14.745 1.00 0.00 N ATOM 759 CA VAL A 52 13.346 -13.390 -16.062 1.00 0.00 C ATOM 760 C VAL A 52 12.510 -12.617 -17.087 1.00 0.00 C ATOM 761 O VAL A 52 12.899 -12.514 -18.252 1.00 0.00 O ATOM 762 CB VAL A 52 12.831 -14.845 -15.939 1.00 0.00 C ATOM 763 CG1 VAL A 52 12.948 -15.605 -17.267 1.00 0.00 C ATOM 764 CG2 VAL A 52 13.608 -15.648 -14.885 1.00 0.00 C ATOM 0 H VAL A 52 12.400 -12.468 -14.433 1.00 0.00 H new ATOM 0 HA VAL A 52 14.378 -13.414 -16.413 1.00 0.00 H new ATOM 0 HB VAL A 52 11.786 -14.756 -15.643 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.576 -16.622 -17.138 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.358 -15.097 -18.030 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.992 -15.637 -17.577 1.00 0.00 H new ATOM 0 HG21 VAL A 52 13.211 -16.662 -14.835 1.00 0.00 H new ATOM 0 HG22 VAL A 52 14.662 -15.684 -15.160 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.503 -15.168 -13.912 1.00 0.00 H new ATOM 774 N THR A 53 11.389 -12.032 -16.655 1.00 0.00 N ATOM 775 CA THR A 53 10.427 -11.303 -17.496 1.00 0.00 C ATOM 776 C THR A 53 10.365 -9.814 -17.160 1.00 0.00 C ATOM 777 O THR A 53 9.836 -9.019 -17.942 1.00 0.00 O ATOM 778 CB THR A 53 9.016 -11.904 -17.373 1.00 0.00 C ATOM 779 OG1 THR A 53 8.539 -11.776 -16.050 1.00 0.00 O ATOM 780 CG2 THR A 53 8.957 -13.383 -17.758 1.00 0.00 C ATOM 0 H THR A 53 11.114 -12.052 -15.673 1.00 0.00 H new ATOM 0 HA THR A 53 10.784 -11.407 -18.521 1.00 0.00 H new ATOM 0 HB THR A 53 8.393 -11.344 -18.070 1.00 0.00 H new ATOM 0 HG1 THR A 53 9.158 -12.222 -15.435 1.00 0.00 H new ATOM 0 HG21 THR A 53 7.935 -13.747 -17.650 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.277 -13.503 -18.793 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.617 -13.955 -17.106 1.00 0.00 H new ATOM 788 N GLY A 54 10.896 -9.419 -15.996 1.00 0.00 N ATOM 789 CA GLY A 54 10.992 -8.031 -15.548 1.00 0.00 C ATOM 790 C GLY A 54 9.659 -7.378 -15.157 1.00 0.00 C ATOM 791 O GLY A 54 9.618 -6.176 -14.878 1.00 0.00 O ATOM 0 H GLY A 54 11.282 -10.080 -15.322 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.665 -7.988 -14.691 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.449 -7.440 -16.342 1.00 0.00 H new ATOM 795 N GLN A 55 8.568 -8.150 -15.131 1.00 0.00 N ATOM 796 CA GLN A 55 7.229 -7.701 -14.734 1.00 0.00 C ATOM 797 C GLN A 55 7.101 -7.655 -13.203 1.00 0.00 C ATOM 798 O GLN A 55 7.911 -8.256 -12.490 1.00 0.00 O ATOM 799 CB GLN A 55 6.160 -8.616 -15.361 1.00 0.00 C ATOM 800 CG GLN A 55 6.299 -8.827 -16.881 1.00 0.00 C ATOM 801 CD GLN A 55 6.407 -7.523 -17.671 1.00 0.00 C ATOM 802 OE1 GLN A 55 5.477 -6.731 -17.746 1.00 0.00 O ATOM 803 NE2 GLN A 55 7.541 -7.240 -18.278 1.00 0.00 N ATOM 0 H GLN A 55 8.593 -9.135 -15.394 1.00 0.00 H new ATOM 0 HA GLN A 55 7.071 -6.688 -15.105 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.200 -9.588 -14.869 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.176 -8.195 -15.156 1.00 0.00 H new ATOM 0 HG2 GLN A 55 7.183 -9.435 -17.076 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.439 -9.391 -17.242 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.325 -7.891 -18.224 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.636 -6.370 -18.802 1.00 0.00 H new ATOM 812 N HIS A 56 6.096 -6.948 -12.671 1.00 0.00 N ATOM 813 CA HIS A 56 5.854 -6.923 -11.222 1.00 0.00 C ATOM 814 C HIS A 56 5.296 -8.258 -10.698 1.00 0.00 C ATOM 815 O HIS A 56 4.694 -9.041 -11.439 1.00 0.00 O ATOM 816 CB HIS A 56 5.021 -5.701 -10.805 1.00 0.00 C ATOM 817 CG HIS A 56 3.539 -5.788 -11.083 1.00 0.00 C ATOM 818 ND1 HIS A 56 2.643 -6.625 -10.411 1.00 0.00 N ATOM 819 CD2 HIS A 56 2.835 -4.977 -11.926 1.00 0.00 C ATOM 820 CE1 HIS A 56 1.425 -6.312 -10.879 1.00 0.00 C ATOM 821 NE2 HIS A 56 1.509 -5.322 -11.779 1.00 0.00 N ATOM 0 H HIS A 56 5.441 -6.389 -13.218 1.00 0.00 H new ATOM 0 HA HIS A 56 6.821 -6.806 -10.733 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.162 -5.537 -9.737 1.00 0.00 H new ATOM 0 HB3 HIS A 56 5.416 -4.824 -11.317 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.237 -4.216 -12.578 1.00 0.00 H new ATOM 0 HE1 HIS A 56 0.506 -6.790 -10.574 1.00 0.00 H new ATOM 0 HE2 HIS A 56 0.724 -4.896 -12.272 1.00 0.00 H new ATOM 829 N GLN A 57 5.518 -8.528 -9.411 1.00 0.00 N ATOM 830 CA GLN A 57 5.252 -9.826 -8.769 1.00 0.00 C ATOM 831 C GLN A 57 3.792 -10.017 -8.292 1.00 0.00 C ATOM 832 O GLN A 57 3.500 -10.937 -7.526 1.00 0.00 O ATOM 833 CB GLN A 57 6.294 -10.031 -7.652 1.00 0.00 C ATOM 834 CG GLN A 57 7.717 -10.251 -8.201 1.00 0.00 C ATOM 835 CD GLN A 57 8.011 -11.690 -8.634 1.00 0.00 C ATOM 836 OE1 GLN A 57 7.136 -12.510 -8.883 1.00 0.00 O ATOM 837 NE2 GLN A 57 9.270 -12.054 -8.731 1.00 0.00 N ATOM 0 H GLN A 57 5.898 -7.835 -8.765 1.00 0.00 H new ATOM 0 HA GLN A 57 5.361 -10.610 -9.518 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.293 -9.161 -6.995 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.006 -10.889 -7.045 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.871 -9.589 -9.053 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.438 -9.960 -7.437 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.012 -11.384 -8.527 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.505 -13.006 -9.010 1.00 0.00 H new ATOM 846 N GLY A 58 2.858 -9.160 -8.727 1.00 0.00 N ATOM 847 CA GLY A 58 1.439 -9.183 -8.337 1.00 0.00 C ATOM 848 C GLY A 58 1.117 -8.423 -7.042 1.00 0.00 C ATOM 849 O GLY A 58 -0.047 -8.366 -6.639 1.00 0.00 O ATOM 0 H GLY A 58 3.075 -8.408 -9.381 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.847 -8.759 -9.148 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.125 -10.220 -8.221 1.00 0.00 H new ATOM 853 N TYR A 59 2.124 -7.826 -6.398 1.00 0.00 N ATOM 854 CA TYR A 59 1.988 -7.015 -5.185 1.00 0.00 C ATOM 855 C TYR A 59 2.969 -5.830 -5.162 1.00 0.00 C ATOM 856 O TYR A 59 4.003 -5.843 -5.834 1.00 0.00 O ATOM 857 CB TYR A 59 2.145 -7.897 -3.936 1.00 0.00 C ATOM 858 CG TYR A 59 3.518 -8.515 -3.742 1.00 0.00 C ATOM 859 CD1 TYR A 59 4.462 -7.899 -2.897 1.00 0.00 C ATOM 860 CD2 TYR A 59 3.838 -9.727 -4.384 1.00 0.00 C ATOM 861 CE1 TYR A 59 5.719 -8.500 -2.685 1.00 0.00 C ATOM 862 CE2 TYR A 59 5.103 -10.315 -4.197 1.00 0.00 C ATOM 863 CZ TYR A 59 6.047 -9.704 -3.346 1.00 0.00 C ATOM 864 OH TYR A 59 7.266 -10.285 -3.164 1.00 0.00 O ATOM 0 H TYR A 59 3.090 -7.897 -6.718 1.00 0.00 H new ATOM 0 HA TYR A 59 0.986 -6.585 -5.185 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.908 -7.298 -3.057 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.408 -8.699 -3.984 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.222 -6.965 -2.411 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.110 -10.207 -5.022 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.432 -8.040 -2.017 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.351 -11.235 -4.706 1.00 0.00 H new ATOM 0 HH TYR A 59 7.319 -11.107 -3.695 1.00 0.00 H new ATOM 874 N GLY A 60 2.623 -4.810 -4.374 1.00 0.00 N ATOM 875 CA GLY A 60 3.329 -3.537 -4.220 1.00 0.00 C ATOM 876 C GLY A 60 3.252 -2.998 -2.786 1.00 0.00 C ATOM 877 O GLY A 60 2.628 -3.605 -1.910 1.00 0.00 O ATOM 0 H GLY A 60 1.789 -4.854 -3.789 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.374 -3.667 -4.501 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.904 -2.803 -4.905 1.00 0.00 H new ATOM 881 N PHE A 61 3.859 -1.837 -2.554 1.00 0.00 N ATOM 882 CA PHE A 61 3.902 -1.140 -1.267 1.00 0.00 C ATOM 883 C PHE A 61 3.802 0.383 -1.431 1.00 0.00 C ATOM 884 O PHE A 61 4.296 0.944 -2.417 1.00 0.00 O ATOM 885 CB PHE A 61 5.204 -1.465 -0.518 1.00 0.00 C ATOM 886 CG PHE A 61 5.468 -2.928 -0.216 1.00 0.00 C ATOM 887 CD1 PHE A 61 6.158 -3.730 -1.145 1.00 0.00 C ATOM 888 CD2 PHE A 61 5.072 -3.476 1.020 1.00 0.00 C ATOM 889 CE1 PHE A 61 6.446 -5.072 -0.843 1.00 0.00 C ATOM 890 CE2 PHE A 61 5.370 -4.816 1.326 1.00 0.00 C ATOM 891 CZ PHE A 61 6.054 -5.615 0.393 1.00 0.00 C ATOM 0 H PHE A 61 4.356 -1.333 -3.288 1.00 0.00 H new ATOM 0 HA PHE A 61 3.041 -1.489 -0.697 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.039 -1.082 -1.105 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.200 -0.918 0.425 1.00 0.00 H new ATOM 0 HD1 PHE A 61 6.467 -3.313 -2.092 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.539 -2.866 1.734 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.969 -5.687 -1.561 1.00 0.00 H new ATOM 0 HE2 PHE A 61 5.073 -5.231 2.278 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.278 -6.646 0.626 1.00 0.00 H new ATOM 901 N VAL A 62 3.231 1.058 -0.429 1.00 0.00 N ATOM 902 CA VAL A 62 3.103 2.527 -0.361 1.00 0.00 C ATOM 903 C VAL A 62 3.496 3.017 1.030 1.00 0.00 C ATOM 904 O VAL A 62 2.998 2.499 2.026 1.00 0.00 O ATOM 905 CB VAL A 62 1.670 2.995 -0.695 1.00 0.00 C ATOM 906 CG1 VAL A 62 1.613 4.519 -0.819 1.00 0.00 C ATOM 907 CG2 VAL A 62 1.157 2.383 -2.000 1.00 0.00 C ATOM 0 H VAL A 62 2.832 0.589 0.384 1.00 0.00 H new ATOM 0 HA VAL A 62 3.774 2.953 -1.107 1.00 0.00 H new ATOM 0 HB VAL A 62 1.035 2.660 0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.594 4.827 -1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.920 4.972 0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.284 4.845 -1.614 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.146 2.739 -2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.811 2.677 -2.821 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.148 1.296 -1.914 1.00 0.00 H new ATOM 917 N GLU A 63 4.378 4.009 1.119 1.00 0.00 N ATOM 918 CA GLU A 63 4.899 4.544 2.381 1.00 0.00 C ATOM 919 C GLU A 63 4.349 5.942 2.669 1.00 0.00 C ATOM 920 O GLU A 63 4.522 6.868 1.874 1.00 0.00 O ATOM 921 CB GLU A 63 6.430 4.532 2.337 1.00 0.00 C ATOM 922 CG GLU A 63 7.076 4.896 3.681 1.00 0.00 C ATOM 923 CD GLU A 63 8.577 4.538 3.735 1.00 0.00 C ATOM 924 OE1 GLU A 63 9.130 4.460 4.860 1.00 0.00 O ATOM 925 OE2 GLU A 63 9.225 4.358 2.673 1.00 0.00 O ATOM 0 H GLU A 63 4.762 4.477 0.298 1.00 0.00 H new ATOM 0 HA GLU A 63 4.565 3.910 3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.771 3.542 2.034 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.771 5.234 1.576 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.954 5.964 3.861 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.553 4.376 4.484 1.00 0.00 H new ATOM 932 N PHE A 64 3.710 6.100 3.826 1.00 0.00 N ATOM 933 CA PHE A 64 3.145 7.356 4.311 1.00 0.00 C ATOM 934 C PHE A 64 4.075 8.078 5.288 1.00 0.00 C ATOM 935 O PHE A 64 4.974 7.478 5.884 1.00 0.00 O ATOM 936 CB PHE A 64 1.783 7.078 4.952 1.00 0.00 C ATOM 937 CG PHE A 64 0.721 6.746 3.929 1.00 0.00 C ATOM 938 CD1 PHE A 64 0.016 7.792 3.311 1.00 0.00 C ATOM 939 CD2 PHE A 64 0.481 5.411 3.552 1.00 0.00 C ATOM 940 CE1 PHE A 64 -0.947 7.505 2.330 1.00 0.00 C ATOM 941 CE2 PHE A 64 -0.484 5.124 2.570 1.00 0.00 C ATOM 942 CZ PHE A 64 -1.201 6.174 1.967 1.00 0.00 C ATOM 0 H PHE A 64 3.566 5.327 4.476 1.00 0.00 H new ATOM 0 HA PHE A 64 3.022 8.025 3.459 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.878 6.250 5.655 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.470 7.950 5.526 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.214 8.816 3.590 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.037 4.609 4.016 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.491 8.308 1.856 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.674 4.101 2.280 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.950 5.954 1.221 1.00 0.00 H new ATOM 952 N LEU A 65 3.830 9.377 5.480 1.00 0.00 N ATOM 953 CA LEU A 65 4.583 10.204 6.426 1.00 0.00 C ATOM 954 C LEU A 65 4.423 9.722 7.881 1.00 0.00 C ATOM 955 O LEU A 65 5.378 9.794 8.658 1.00 0.00 O ATOM 956 CB LEU A 65 4.118 11.660 6.266 1.00 0.00 C ATOM 957 CG LEU A 65 5.056 12.688 6.920 1.00 0.00 C ATOM 958 CD1 LEU A 65 6.340 12.874 6.110 1.00 0.00 C ATOM 959 CD2 LEU A 65 4.355 14.045 7.005 1.00 0.00 C ATOM 0 H LEU A 65 3.101 9.887 4.981 1.00 0.00 H new ATOM 0 HA LEU A 65 5.647 10.123 6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.029 11.888 5.204 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.123 11.763 6.699 1.00 0.00 H new ATOM 0 HG LEU A 65 5.308 12.313 7.912 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.978 13.608 6.603 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.867 11.923 6.041 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.091 13.224 5.108 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.023 14.771 7.469 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.093 14.382 6.002 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.450 13.950 7.604 1.00 0.00 H new ATOM 971 N SER A 66 3.241 9.195 8.225 1.00 0.00 N ATOM 972 CA SER A 66 2.901 8.731 9.575 1.00 0.00 C ATOM 973 C SER A 66 2.047 7.457 9.548 1.00 0.00 C ATOM 974 O SER A 66 1.319 7.186 8.592 1.00 0.00 O ATOM 975 CB SER A 66 2.163 9.831 10.357 1.00 0.00 C ATOM 976 OG SER A 66 2.875 11.063 10.353 1.00 0.00 O ATOM 0 H SER A 66 2.478 9.077 7.558 1.00 0.00 H new ATOM 0 HA SER A 66 3.840 8.497 10.076 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.175 9.983 9.922 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.012 9.504 11.386 1.00 0.00 H new ATOM 0 HG SER A 66 2.371 11.734 10.859 1.00 0.00 H new ATOM 982 N GLU A 67 2.098 6.681 10.629 1.00 0.00 N ATOM 983 CA GLU A 67 1.358 5.418 10.784 1.00 0.00 C ATOM 984 C GLU A 67 -0.168 5.605 10.756 1.00 0.00 C ATOM 985 O GLU A 67 -0.876 4.765 10.204 1.00 0.00 O ATOM 986 CB GLU A 67 1.842 4.766 12.085 1.00 0.00 C ATOM 987 CG GLU A 67 1.193 3.419 12.444 1.00 0.00 C ATOM 988 CD GLU A 67 -0.155 3.504 13.190 1.00 0.00 C ATOM 989 OE1 GLU A 67 -0.896 2.494 13.153 1.00 0.00 O ATOM 990 OE2 GLU A 67 -0.451 4.524 13.857 1.00 0.00 O ATOM 0 H GLU A 67 2.666 6.913 11.443 1.00 0.00 H new ATOM 0 HA GLU A 67 1.562 4.767 9.934 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.920 4.621 12.017 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.665 5.462 12.905 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.044 2.852 11.525 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.892 2.852 13.058 1.00 0.00 H new ATOM 997 N GLU A 68 -0.684 6.727 11.265 1.00 0.00 N ATOM 998 CA GLU A 68 -2.123 7.032 11.236 1.00 0.00 C ATOM 999 C GLU A 68 -2.658 7.303 9.816 1.00 0.00 C ATOM 1000 O GLU A 68 -3.831 7.054 9.536 1.00 0.00 O ATOM 1001 CB GLU A 68 -2.439 8.193 12.197 1.00 0.00 C ATOM 1002 CG GLU A 68 -1.798 9.534 11.807 1.00 0.00 C ATOM 1003 CD GLU A 68 -2.116 10.617 12.855 1.00 0.00 C ATOM 1004 OE1 GLU A 68 -3.192 11.260 12.767 1.00 0.00 O ATOM 1005 OE2 GLU A 68 -1.292 10.839 13.775 1.00 0.00 O ATOM 0 H GLU A 68 -0.119 7.451 11.709 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.648 6.140 11.578 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.520 8.322 12.248 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.103 7.921 13.198 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.718 9.414 11.718 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.166 9.848 10.830 1.00 0.00 H new ATOM 1012 N ASP A 69 -1.796 7.753 8.897 1.00 0.00 N ATOM 1013 CA ASP A 69 -2.128 7.924 7.478 1.00 0.00 C ATOM 1014 C ASP A 69 -2.107 6.580 6.728 1.00 0.00 C ATOM 1015 O ASP A 69 -2.941 6.352 5.850 1.00 0.00 O ATOM 1016 CB ASP A 69 -1.161 8.937 6.845 1.00 0.00 C ATOM 1017 CG ASP A 69 -1.393 10.362 7.373 1.00 0.00 C ATOM 1018 OD1 ASP A 69 -0.468 10.931 7.997 1.00 0.00 O ATOM 1019 OD2 ASP A 69 -2.488 10.926 7.137 1.00 0.00 O ATOM 0 H ASP A 69 -0.835 8.012 9.121 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.144 8.310 7.399 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.134 8.636 7.052 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.284 8.927 5.762 1.00 0.00 H new ATOM 1024 N ALA A 70 -1.227 5.652 7.125 1.00 0.00 N ATOM 1025 CA ALA A 70 -1.195 4.295 6.582 1.00 0.00 C ATOM 1026 C ALA A 70 -2.408 3.473 7.049 1.00 0.00 C ATOM 1027 O ALA A 70 -3.076 2.824 6.243 1.00 0.00 O ATOM 1028 CB ALA A 70 0.130 3.655 7.009 1.00 0.00 C ATOM 0 H ALA A 70 -0.516 5.826 7.835 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.257 4.322 5.494 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.186 2.639 6.619 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.961 4.241 6.615 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.188 3.630 8.097 1.00 0.00 H new ATOM 1034 N ASP A 71 -2.752 3.561 8.337 1.00 0.00 N ATOM 1035 CA ASP A 71 -3.901 2.869 8.932 1.00 0.00 C ATOM 1036 C ASP A 71 -5.248 3.323 8.335 1.00 0.00 C ATOM 1037 O ASP A 71 -6.193 2.536 8.246 1.00 0.00 O ATOM 1038 CB ASP A 71 -3.854 3.055 10.455 1.00 0.00 C ATOM 1039 CG ASP A 71 -4.549 1.892 11.173 1.00 0.00 C ATOM 1040 OD1 ASP A 71 -3.953 0.787 11.190 1.00 0.00 O ATOM 1041 OD2 ASP A 71 -5.654 2.087 11.731 1.00 0.00 O ATOM 0 H ASP A 71 -2.231 4.125 9.008 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.829 1.808 8.693 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.817 3.123 10.785 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.337 3.994 10.725 1.00 0.00 H new ATOM 1046 N TYR A 72 -5.317 4.565 7.845 1.00 0.00 N ATOM 1047 CA TYR A 72 -6.462 5.097 7.103 1.00 0.00 C ATOM 1048 C TYR A 72 -6.477 4.653 5.634 1.00 0.00 C ATOM 1049 O TYR A 72 -7.546 4.372 5.095 1.00 0.00 O ATOM 1050 CB TYR A 72 -6.457 6.626 7.193 1.00 0.00 C ATOM 1051 CG TYR A 72 -7.703 7.257 6.600 1.00 0.00 C ATOM 1052 CD1 TYR A 72 -7.633 7.924 5.363 1.00 0.00 C ATOM 1053 CD2 TYR A 72 -8.940 7.138 7.265 1.00 0.00 C ATOM 1054 CE1 TYR A 72 -8.795 8.473 4.787 1.00 0.00 C ATOM 1055 CE2 TYR A 72 -10.106 7.683 6.692 1.00 0.00 C ATOM 1056 CZ TYR A 72 -10.036 8.352 5.448 1.00 0.00 C ATOM 1057 OH TYR A 72 -11.156 8.886 4.887 1.00 0.00 O ATOM 0 H TYR A 72 -4.562 5.242 7.956 1.00 0.00 H new ATOM 0 HA TYR A 72 -7.366 4.694 7.560 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.368 6.923 8.238 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.579 7.012 6.676 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -6.685 8.015 4.854 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.994 6.628 8.216 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -8.736 8.987 3.839 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -11.053 7.590 7.203 1.00 0.00 H new ATOM 0 HH TYR A 72 -11.926 8.715 5.468 1.00 0.00 H new ATOM 1067 N ALA A 73 -5.318 4.518 4.980 1.00 0.00 N ATOM 1068 CA ALA A 73 -5.251 4.052 3.593 1.00 0.00 C ATOM 1069 C ALA A 73 -5.779 2.613 3.467 1.00 0.00 C ATOM 1070 O ALA A 73 -6.548 2.299 2.559 1.00 0.00 O ATOM 1071 CB ALA A 73 -3.812 4.196 3.092 1.00 0.00 C ATOM 0 H ALA A 73 -4.409 4.727 5.393 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.896 4.665 2.964 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.750 3.852 2.060 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.512 5.242 3.144 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.148 3.596 3.715 1.00 0.00 H new ATOM 1077 N ILE A 74 -5.457 1.775 4.456 1.00 0.00 N ATOM 1078 CA ILE A 74 -5.973 0.407 4.618 1.00 0.00 C ATOM 1079 C ILE A 74 -7.509 0.395 4.718 1.00 0.00 C ATOM 1080 O ILE A 74 -8.160 -0.465 4.125 1.00 0.00 O ATOM 1081 CB ILE A 74 -5.305 -0.222 5.865 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -3.787 -0.371 5.614 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -5.924 -1.586 6.224 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -2.951 -0.561 6.876 1.00 0.00 C ATOM 0 H ILE A 74 -4.805 2.038 5.195 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.724 -0.189 3.740 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.476 0.442 6.712 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.623 -1.222 4.954 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.430 0.514 5.087 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.426 -1.991 7.105 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -6.986 -1.460 6.434 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.799 -2.274 5.388 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.900 -0.657 6.605 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.080 0.301 7.531 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.275 -1.463 7.395 1.00 0.00 H new ATOM 1096 N LYS A 75 -8.103 1.379 5.407 1.00 0.00 N ATOM 1097 CA LYS A 75 -9.559 1.511 5.577 1.00 0.00 C ATOM 1098 C LYS A 75 -10.293 1.849 4.268 1.00 0.00 C ATOM 1099 O LYS A 75 -11.407 1.362 4.066 1.00 0.00 O ATOM 1100 CB LYS A 75 -9.826 2.532 6.702 1.00 0.00 C ATOM 1101 CG LYS A 75 -11.316 2.778 6.958 1.00 0.00 C ATOM 1102 CD LYS A 75 -11.536 3.603 8.233 1.00 0.00 C ATOM 1103 CE LYS A 75 -13.037 3.835 8.454 1.00 0.00 C ATOM 1104 NZ LYS A 75 -13.295 4.608 9.697 1.00 0.00 N ATOM 0 H LYS A 75 -7.577 2.120 5.871 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.973 0.545 5.866 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.360 2.178 7.622 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.348 3.477 6.446 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.752 3.299 6.106 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.834 1.823 7.047 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.110 3.083 9.091 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.020 4.559 8.151 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.453 4.370 7.600 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.550 2.875 8.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.319 4.746 9.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.920 4.086 10.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.826 5.534 9.633 1.00 0.00 H new ATOM 1118 N ILE A 76 -9.687 2.638 3.374 1.00 0.00 N ATOM 1119 CA ILE A 76 -10.337 3.137 2.146 1.00 0.00 C ATOM 1120 C ILE A 76 -9.967 2.404 0.844 1.00 0.00 C ATOM 1121 O ILE A 76 -10.653 2.607 -0.154 1.00 0.00 O ATOM 1122 CB ILE A 76 -10.123 4.655 1.984 1.00 0.00 C ATOM 1123 CG1 ILE A 76 -8.637 5.023 1.830 1.00 0.00 C ATOM 1124 CG2 ILE A 76 -10.774 5.428 3.145 1.00 0.00 C ATOM 1125 CD1 ILE A 76 -8.454 6.391 1.186 1.00 0.00 C ATOM 0 H ILE A 76 -8.723 2.954 3.479 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.393 2.917 2.300 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.616 4.952 1.058 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.158 5.016 2.809 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.137 4.267 1.225 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.609 6.497 3.008 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -11.845 5.225 3.162 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.329 5.110 4.088 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.390 6.611 1.096 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.910 6.391 0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.931 7.151 1.805 1.00 0.00 H new ATOM 1137 N MET A 77 -8.906 1.586 0.826 1.00 0.00 N ATOM 1138 CA MET A 77 -8.394 0.888 -0.378 1.00 0.00 C ATOM 1139 C MET A 77 -8.566 -0.644 -0.379 1.00 0.00 C ATOM 1140 O MET A 77 -8.222 -1.300 -1.361 1.00 0.00 O ATOM 1141 CB MET A 77 -6.915 1.232 -0.555 1.00 0.00 C ATOM 1142 CG MET A 77 -6.706 2.690 -0.964 1.00 0.00 C ATOM 1143 SD MET A 77 -6.704 2.939 -2.753 1.00 0.00 S ATOM 1144 CE MET A 77 -6.031 4.612 -2.748 1.00 0.00 C ATOM 0 H MET A 77 -8.362 1.381 1.664 1.00 0.00 H new ATOM 0 HA MET A 77 -9.004 1.244 -1.208 1.00 0.00 H new ATOM 0 HB2 MET A 77 -6.385 1.038 0.377 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.480 0.578 -1.311 1.00 0.00 H new ATOM 0 HG2 MET A 77 -7.492 3.301 -0.520 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.759 3.043 -0.554 1.00 0.00 H new ATOM 0 HE1 MET A 77 -6.790 5.311 -3.100 1.00 0.00 H new ATOM 0 HE2 MET A 77 -5.732 4.881 -1.735 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.163 4.657 -3.406 1.00 0.00 H new ATOM 1154 N ASP A 78 -9.082 -1.244 0.692 1.00 0.00 N ATOM 1155 CA ASP A 78 -9.149 -2.711 0.829 1.00 0.00 C ATOM 1156 C ASP A 78 -10.360 -3.352 0.114 1.00 0.00 C ATOM 1157 O ASP A 78 -11.464 -2.806 0.112 1.00 0.00 O ATOM 1158 CB ASP A 78 -9.064 -3.113 2.306 1.00 0.00 C ATOM 1159 CG ASP A 78 -8.956 -4.636 2.471 1.00 0.00 C ATOM 1160 OD1 ASP A 78 -9.812 -5.236 3.163 1.00 0.00 O ATOM 1161 OD2 ASP A 78 -8.015 -5.225 1.889 1.00 0.00 O ATOM 0 H ASP A 78 -9.466 -0.737 1.489 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.280 -3.115 0.310 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -8.199 -2.634 2.765 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.946 -2.751 2.834 1.00 0.00 H new ATOM 1166 N MET A 79 -10.143 -4.532 -0.482 1.00 0.00 N ATOM 1167 CA MET A 79 -11.089 -5.323 -1.296 1.00 0.00 C ATOM 1168 C MET A 79 -11.611 -4.618 -2.571 1.00 0.00 C ATOM 1169 O MET A 79 -12.605 -5.029 -3.171 1.00 0.00 O ATOM 1170 CB MET A 79 -12.178 -5.936 -0.393 1.00 0.00 C ATOM 1171 CG MET A 79 -12.734 -7.258 -0.944 1.00 0.00 C ATOM 1172 SD MET A 79 -13.910 -8.110 0.147 1.00 0.00 S ATOM 1173 CE MET A 79 -12.796 -8.677 1.463 1.00 0.00 C ATOM 0 H MET A 79 -9.238 -4.996 -0.405 1.00 0.00 H new ATOM 0 HA MET A 79 -10.527 -6.149 -1.732 1.00 0.00 H new ATOM 0 HB2 MET A 79 -11.765 -6.107 0.601 1.00 0.00 H new ATOM 0 HB3 MET A 79 -12.994 -5.223 -0.281 1.00 0.00 H new ATOM 0 HG2 MET A 79 -13.224 -7.059 -1.897 1.00 0.00 H new ATOM 0 HG3 MET A 79 -11.899 -7.929 -1.148 1.00 0.00 H new ATOM 0 HE1 MET A 79 -13.328 -9.366 2.118 1.00 0.00 H new ATOM 0 HE2 MET A 79 -11.939 -9.185 1.021 1.00 0.00 H new ATOM 0 HE3 MET A 79 -12.451 -7.820 2.042 1.00 0.00 H new ATOM 1183 N ILE A 80 -10.931 -3.554 -3.008 1.00 0.00 N ATOM 1184 CA ILE A 80 -11.307 -2.676 -4.124 1.00 0.00 C ATOM 1185 C ILE A 80 -10.702 -3.145 -5.453 1.00 0.00 C ATOM 1186 O ILE A 80 -9.565 -3.606 -5.512 1.00 0.00 O ATOM 1187 CB ILE A 80 -10.942 -1.237 -3.714 1.00 0.00 C ATOM 1188 CG1 ILE A 80 -12.071 -0.731 -2.791 1.00 0.00 C ATOM 1189 CG2 ILE A 80 -10.712 -0.284 -4.891 1.00 0.00 C ATOM 1190 CD1 ILE A 80 -11.697 0.492 -1.960 1.00 0.00 C ATOM 0 H ILE A 80 -10.056 -3.265 -2.570 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.379 -2.713 -4.317 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.980 -1.255 -3.201 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -12.942 -0.490 -3.400 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -12.365 -1.537 -2.119 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -10.460 0.707 -4.513 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.893 -0.657 -5.506 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -11.619 -0.223 -5.492 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.544 0.783 -1.340 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.846 0.252 -1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.433 1.316 -2.623 1.00 0.00 H new ATOM 1202 N LYS A 81 -11.457 -3.025 -6.549 1.00 0.00 N ATOM 1203 CA LYS A 81 -11.145 -3.643 -7.846 1.00 0.00 C ATOM 1204 C LYS A 81 -10.371 -2.713 -8.780 1.00 0.00 C ATOM 1205 O LYS A 81 -10.880 -2.301 -9.825 1.00 0.00 O ATOM 1206 CB LYS A 81 -12.430 -4.215 -8.465 1.00 0.00 C ATOM 1207 CG LYS A 81 -13.050 -5.316 -7.586 1.00 0.00 C ATOM 1208 CD LYS A 81 -14.214 -6.049 -8.268 1.00 0.00 C ATOM 1209 CE LYS A 81 -13.703 -7.119 -9.243 1.00 0.00 C ATOM 1210 NZ LYS A 81 -14.809 -7.714 -10.038 1.00 0.00 N ATOM 0 H LYS A 81 -12.322 -2.484 -6.562 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.459 -4.474 -7.679 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.154 -3.412 -8.606 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.208 -4.621 -9.452 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.278 -6.039 -7.322 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.403 -4.873 -6.655 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.846 -6.515 -7.512 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.834 -5.331 -8.805 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.969 -6.677 -9.916 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.192 -7.904 -8.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.424 -8.432 -10.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.497 -8.158 -9.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.280 -6.969 -10.589 1.00 0.00 H new ATOM 1224 N LEU A 82 -9.125 -2.403 -8.419 1.00 0.00 N ATOM 1225 CA LEU A 82 -8.209 -1.633 -9.270 1.00 0.00 C ATOM 1226 C LEU A 82 -8.020 -2.369 -10.612 1.00 0.00 C ATOM 1227 O LEU A 82 -7.638 -3.541 -10.612 1.00 0.00 O ATOM 1228 CB LEU A 82 -6.874 -1.418 -8.524 1.00 0.00 C ATOM 1229 CG LEU A 82 -5.856 -0.510 -9.240 1.00 0.00 C ATOM 1230 CD1 LEU A 82 -6.417 0.881 -9.539 1.00 0.00 C ATOM 1231 CD2 LEU A 82 -4.623 -0.341 -8.347 1.00 0.00 C ATOM 0 H LEU A 82 -8.719 -2.679 -7.525 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.623 -0.649 -9.490 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.089 -0.992 -7.544 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.412 -2.390 -8.354 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.608 -0.989 -10.188 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.658 1.479 -10.044 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.293 0.790 -10.181 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.700 1.367 -8.606 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.897 0.301 -8.847 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.918 0.113 -7.401 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.175 -1.316 -8.157 1.00 0.00 H new ATOM 1243 N TYR A 83 -8.347 -1.726 -11.743 1.00 0.00 N ATOM 1244 CA TYR A 83 -8.443 -2.393 -13.060 1.00 0.00 C ATOM 1245 C TYR A 83 -9.193 -3.761 -13.085 1.00 0.00 C ATOM 1246 O TYR A 83 -8.883 -4.625 -13.911 1.00 0.00 O ATOM 1247 CB TYR A 83 -7.053 -2.480 -13.713 1.00 0.00 C ATOM 1248 CG TYR A 83 -6.310 -1.166 -13.868 1.00 0.00 C ATOM 1249 CD1 TYR A 83 -6.816 -0.158 -14.712 1.00 0.00 C ATOM 1250 CD2 TYR A 83 -5.080 -0.976 -13.211 1.00 0.00 C ATOM 1251 CE1 TYR A 83 -6.094 1.038 -14.899 1.00 0.00 C ATOM 1252 CE2 TYR A 83 -4.351 0.211 -13.403 1.00 0.00 C ATOM 1253 CZ TYR A 83 -4.856 1.224 -14.245 1.00 0.00 C ATOM 1254 OH TYR A 83 -4.144 2.370 -14.426 1.00 0.00 O ATOM 0 H TYR A 83 -8.553 -0.728 -11.775 1.00 0.00 H new ATOM 0 HA TYR A 83 -9.091 -1.752 -13.657 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.436 -3.156 -13.121 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -7.164 -2.931 -14.699 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.760 -0.302 -15.217 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.695 -1.744 -12.557 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.487 1.812 -15.542 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.403 0.347 -12.905 1.00 0.00 H new ATOM 0 HH TYR A 83 -4.759 3.112 -14.604 1.00 0.00 H new ATOM 1264 N GLY A 84 -10.181 -3.992 -12.205 1.00 0.00 N ATOM 1265 CA GLY A 84 -11.034 -5.196 -12.212 1.00 0.00 C ATOM 1266 C GLY A 84 -10.526 -6.429 -11.436 1.00 0.00 C ATOM 1267 O GLY A 84 -11.106 -7.506 -11.579 1.00 0.00 O ATOM 0 H GLY A 84 -10.415 -3.339 -11.457 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.008 -4.921 -11.808 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.191 -5.492 -13.249 1.00 0.00 H new ATOM 1271 N LYS A 85 -9.489 -6.295 -10.596 1.00 0.00 N ATOM 1272 CA LYS A 85 -8.906 -7.322 -9.721 1.00 0.00 C ATOM 1273 C LYS A 85 -8.900 -6.789 -8.275 1.00 0.00 C ATOM 1274 O LYS A 85 -8.354 -5.709 -8.041 1.00 0.00 O ATOM 1275 CB LYS A 85 -7.482 -7.678 -10.180 1.00 0.00 C ATOM 1276 CG LYS A 85 -7.499 -8.503 -11.474 1.00 0.00 C ATOM 1277 CD LYS A 85 -6.072 -8.805 -11.955 1.00 0.00 C ATOM 1278 CE LYS A 85 -6.047 -9.629 -13.251 1.00 0.00 C ATOM 1279 NZ LYS A 85 -6.535 -8.856 -14.423 1.00 0.00 N ATOM 0 H LYS A 85 -9.002 -5.404 -10.504 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.503 -8.233 -9.771 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -6.910 -6.764 -10.337 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.975 -8.240 -9.395 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.035 -9.437 -11.307 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.040 -7.959 -12.249 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.540 -7.867 -12.115 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.536 -9.346 -11.175 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.029 -9.970 -13.442 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.663 -10.519 -13.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.404 -9.418 -15.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.545 -8.639 -14.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.998 -7.969 -14.502 1.00 0.00 H new ATOM 1293 N PRO A 86 -9.543 -7.478 -7.316 1.00 0.00 N ATOM 1294 CA PRO A 86 -9.760 -6.980 -5.959 1.00 0.00 C ATOM 1295 C PRO A 86 -8.463 -6.987 -5.141 1.00 0.00 C ATOM 1296 O PRO A 86 -7.929 -8.049 -4.807 1.00 0.00 O ATOM 1297 CB PRO A 86 -10.865 -7.867 -5.369 1.00 0.00 C ATOM 1298 CG PRO A 86 -10.768 -9.166 -6.168 1.00 0.00 C ATOM 1299 CD PRO A 86 -10.294 -8.696 -7.542 1.00 0.00 C ATOM 0 HA PRO A 86 -10.071 -5.935 -5.947 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.710 -8.042 -4.304 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -11.847 -7.405 -5.477 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -10.064 -9.865 -5.716 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.730 -9.676 -6.226 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.672 -9.454 -8.019 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.140 -8.514 -8.204 1.00 0.00 H new ATOM 1307 N ILE A 87 -7.960 -5.802 -4.794 1.00 0.00 N ATOM 1308 CA ILE A 87 -6.707 -5.632 -4.051 1.00 0.00 C ATOM 1309 C ILE A 87 -6.917 -5.849 -2.548 1.00 0.00 C ATOM 1310 O ILE A 87 -7.970 -5.516 -2.005 1.00 0.00 O ATOM 1311 CB ILE A 87 -6.002 -4.293 -4.375 1.00 0.00 C ATOM 1312 CG1 ILE A 87 -6.671 -3.075 -3.696 1.00 0.00 C ATOM 1313 CG2 ILE A 87 -5.868 -4.125 -5.901 1.00 0.00 C ATOM 1314 CD1 ILE A 87 -6.042 -1.726 -4.056 1.00 0.00 C ATOM 0 H ILE A 87 -8.417 -4.919 -5.024 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.022 -6.409 -4.389 1.00 0.00 H new ATOM 0 HB ILE A 87 -5.000 -4.332 -3.947 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.726 -3.055 -3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.625 -3.207 -2.615 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -5.371 -3.180 -6.121 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -5.280 -4.948 -6.307 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -6.859 -4.128 -6.356 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.572 -0.927 -3.537 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -4.994 -1.721 -3.756 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.112 -1.568 -5.132 1.00 0.00 H new ATOM 1326 N ARG A 88 -5.917 -6.406 -1.865 1.00 0.00 N ATOM 1327 CA ARG A 88 -5.902 -6.654 -0.413 1.00 0.00 C ATOM 1328 C ARG A 88 -4.826 -5.790 0.240 1.00 0.00 C ATOM 1329 O ARG A 88 -3.682 -5.801 -0.219 1.00 0.00 O ATOM 1330 CB ARG A 88 -5.702 -8.157 -0.133 1.00 0.00 C ATOM 1331 CG ARG A 88 -6.994 -8.903 0.245 1.00 0.00 C ATOM 1332 CD ARG A 88 -8.165 -8.794 -0.748 1.00 0.00 C ATOM 1333 NE ARG A 88 -7.833 -9.242 -2.116 1.00 0.00 N ATOM 1334 CZ ARG A 88 -7.694 -10.475 -2.564 1.00 0.00 C ATOM 1335 NH1 ARG A 88 -7.782 -11.523 -1.795 1.00 0.00 N ATOM 1336 NH2 ARG A 88 -7.469 -10.664 -3.830 1.00 0.00 N ATOM 0 H ARG A 88 -5.058 -6.711 -2.322 1.00 0.00 H new ATOM 0 HA ARG A 88 -6.860 -6.374 0.025 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -5.270 -8.626 -1.017 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.979 -8.272 0.675 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -6.753 -9.958 0.374 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -7.332 -8.532 1.213 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -9.001 -9.386 -0.375 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -8.500 -7.758 -0.787 1.00 0.00 H new ATOM 0 HE ARG A 88 -7.693 -8.502 -2.804 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -7.966 -11.410 -0.798 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -7.667 -12.456 -2.190 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -7.402 -9.865 -4.461 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.359 -11.611 -4.193 1.00 0.00 H new ATOM 1350 N VAL A 89 -5.190 -5.034 1.278 1.00 0.00 N ATOM 1351 CA VAL A 89 -4.344 -3.984 1.872 1.00 0.00 C ATOM 1352 C VAL A 89 -4.198 -4.159 3.388 1.00 0.00 C ATOM 1353 O VAL A 89 -5.179 -4.408 4.090 1.00 0.00 O ATOM 1354 CB VAL A 89 -4.864 -2.574 1.511 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -3.826 -1.489 1.824 1.00 0.00 C ATOM 1356 CG2 VAL A 89 -5.170 -2.437 0.015 1.00 0.00 C ATOM 0 H VAL A 89 -6.094 -5.132 1.740 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.348 -4.088 1.442 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.767 -2.446 2.108 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.229 -0.512 1.556 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.592 -1.506 2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.919 -1.677 1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.532 -1.430 -0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.263 -2.621 -0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.933 -3.162 -0.268 1.00 0.00 H new ATOM 1366 N ASN A 90 -2.968 -4.025 3.895 1.00 0.00 N ATOM 1367 CA ASN A 90 -2.603 -4.141 5.319 1.00 0.00 C ATOM 1368 C ASN A 90 -1.266 -3.430 5.622 1.00 0.00 C ATOM 1369 O ASN A 90 -0.568 -3.017 4.698 1.00 0.00 O ATOM 1370 CB ASN A 90 -2.560 -5.635 5.719 1.00 0.00 C ATOM 1371 CG ASN A 90 -1.705 -6.511 4.814 1.00 0.00 C ATOM 1372 OD1 ASN A 90 -2.202 -7.182 3.921 1.00 0.00 O ATOM 1373 ND2 ASN A 90 -0.405 -6.557 5.005 1.00 0.00 N ATOM 0 H ASN A 90 -2.162 -3.824 3.303 1.00 0.00 H new ATOM 0 HA ASN A 90 -3.362 -3.640 5.919 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -2.184 -5.713 6.739 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -3.578 -6.025 5.724 1.00 0.00 H new ATOM 0 HD21 ASN A 90 0.177 -7.148 4.411 1.00 0.00 H new ATOM 0 HD22 ASN A 90 0.021 -6.002 5.747 1.00 0.00 H new ATOM 1380 N LYS A 91 -0.873 -3.312 6.902 1.00 0.00 N ATOM 1381 CA LYS A 91 0.470 -2.825 7.301 1.00 0.00 C ATOM 1382 C LYS A 91 1.547 -3.731 6.679 1.00 0.00 C ATOM 1383 O LYS A 91 1.349 -4.948 6.621 1.00 0.00 O ATOM 1384 CB LYS A 91 0.626 -2.775 8.840 1.00 0.00 C ATOM 1385 CG LYS A 91 -0.528 -2.144 9.647 1.00 0.00 C ATOM 1386 CD LYS A 91 -0.750 -0.640 9.405 1.00 0.00 C ATOM 1387 CE LYS A 91 -0.311 0.253 10.568 1.00 0.00 C ATOM 1388 NZ LYS A 91 -1.269 0.204 11.697 1.00 0.00 N ATOM 0 H LYS A 91 -1.472 -3.550 7.692 1.00 0.00 H new ATOM 0 HA LYS A 91 0.591 -1.807 6.931 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.770 -3.794 9.198 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.539 -2.225 9.069 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.450 -2.674 9.408 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.336 -2.301 10.708 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.206 -0.343 8.508 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.808 -0.467 9.208 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.674 -0.061 10.914 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.214 1.281 10.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.039 0.954 12.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.235 0.346 11.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.206 -0.722 12.166 1.00 0.00 H new ATOM 1402 N ALA A 92 2.666 -3.175 6.210 1.00 0.00 N ATOM 1403 CA ALA A 92 3.650 -3.904 5.396 1.00 0.00 C ATOM 1404 C ALA A 92 4.301 -5.111 6.106 1.00 0.00 C ATOM 1405 O ALA A 92 4.613 -6.107 5.449 1.00 0.00 O ATOM 1406 CB ALA A 92 4.709 -2.916 4.896 1.00 0.00 C ATOM 0 H ALA A 92 2.919 -2.202 6.383 1.00 0.00 H new ATOM 0 HA ALA A 92 3.109 -4.342 4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.444 -3.446 4.291 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.231 -2.145 4.293 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.206 -2.453 5.748 1.00 0.00 H new ATOM 1412 N SER A 93 4.442 -5.054 7.436 1.00 0.00 N ATOM 1413 CA SER A 93 4.843 -6.192 8.283 1.00 0.00 C ATOM 1414 C SER A 93 3.953 -6.281 9.532 1.00 0.00 C ATOM 1415 O SER A 93 4.436 -6.189 10.661 1.00 0.00 O ATOM 1416 CB SER A 93 6.338 -6.140 8.647 1.00 0.00 C ATOM 1417 OG SER A 93 7.162 -6.011 7.497 1.00 0.00 O ATOM 0 H SER A 93 4.278 -4.199 7.968 1.00 0.00 H new ATOM 0 HA SER A 93 4.697 -7.104 7.704 1.00 0.00 H new ATOM 0 HB2 SER A 93 6.519 -5.300 9.318 1.00 0.00 H new ATOM 0 HB3 SER A 93 6.611 -7.046 9.189 1.00 0.00 H new ATOM 0 HG SER A 93 8.103 -5.980 7.770 1.00 0.00 H new ATOM 1423 N ALA A 94 2.635 -6.406 9.326 1.00 0.00 N ATOM 1424 CA ALA A 94 1.617 -6.422 10.383 1.00 0.00 C ATOM 1425 C ALA A 94 1.901 -7.441 11.512 1.00 0.00 C ATOM 1426 O ALA A 94 2.382 -8.553 11.267 1.00 0.00 O ATOM 1427 CB ALA A 94 0.249 -6.694 9.740 1.00 0.00 C ATOM 0 H ALA A 94 2.237 -6.502 8.392 1.00 0.00 H new ATOM 0 HA ALA A 94 1.633 -5.446 10.867 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.520 -6.709 10.513 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.023 -5.908 9.019 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.271 -7.658 9.231 1.00 0.00 H new ATOM 1433 N HIS A 95 1.575 -7.062 12.753 1.00 0.00 N ATOM 1434 CA HIS A 95 1.859 -7.821 13.983 1.00 0.00 C ATOM 1435 C HIS A 95 0.717 -7.706 15.008 1.00 0.00 C ATOM 1436 O HIS A 95 0.078 -6.658 15.132 1.00 0.00 O ATOM 1437 CB HIS A 95 3.196 -7.357 14.589 1.00 0.00 C ATOM 1438 CG HIS A 95 3.300 -5.864 14.806 1.00 0.00 C ATOM 1439 ND1 HIS A 95 2.998 -5.171 15.983 1.00 0.00 N ATOM 1440 CD2 HIS A 95 3.665 -4.964 13.850 1.00 0.00 C ATOM 1441 CE1 HIS A 95 3.174 -3.868 15.694 1.00 0.00 C ATOM 1442 NE2 HIS A 95 3.581 -3.718 14.421 1.00 0.00 N ATOM 0 H HIS A 95 1.088 -6.185 12.938 1.00 0.00 H new ATOM 0 HA HIS A 95 1.938 -8.875 13.717 1.00 0.00 H new ATOM 0 HB2 HIS A 95 3.342 -7.862 15.544 1.00 0.00 H new ATOM 0 HB3 HIS A 95 4.007 -7.674 13.934 1.00 0.00 H new ATOM 0 HD2 HIS A 95 3.963 -5.188 12.837 1.00 0.00 H new ATOM 0 HE1 HIS A 95 3.011 -3.056 16.388 1.00 0.00 H new ATOM 0 HE2 HIS A 95 3.791 -2.833 13.960 1.00 0.00 H new ATOM 1450 N ASN A 96 0.450 -8.798 15.734 1.00 0.00 N ATOM 1451 CA ASN A 96 -0.633 -8.884 16.730 1.00 0.00 C ATOM 1452 C ASN A 96 -0.369 -9.903 17.870 1.00 0.00 C ATOM 1453 O ASN A 96 -1.274 -10.226 18.642 1.00 0.00 O ATOM 1454 CB ASN A 96 -1.937 -9.192 15.959 1.00 0.00 C ATOM 1455 CG ASN A 96 -3.200 -8.846 16.731 1.00 0.00 C ATOM 1456 OD1 ASN A 96 -4.030 -9.691 17.039 1.00 0.00 O ATOM 1457 ND2 ASN A 96 -3.410 -7.580 17.015 1.00 0.00 N ATOM 0 H ASN A 96 0.986 -9.661 15.647 1.00 0.00 H new ATOM 0 HA ASN A 96 -0.706 -7.932 17.255 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -1.933 -8.638 15.020 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -1.956 -10.252 15.704 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -4.266 -7.300 17.493 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -2.717 -6.878 16.757 1.00 0.00 H new ATOM 1464 N LYS A 97 0.854 -10.448 17.968 1.00 0.00 N ATOM 1465 CA LYS A 97 1.206 -11.578 18.849 1.00 0.00 C ATOM 1466 C LYS A 97 1.451 -11.153 20.307 1.00 0.00 C ATOM 1467 O LYS A 97 2.085 -10.127 20.567 1.00 0.00 O ATOM 1468 CB LYS A 97 2.414 -12.321 18.243 1.00 0.00 C ATOM 1469 CG LYS A 97 2.749 -13.635 18.967 1.00 0.00 C ATOM 1470 CD LYS A 97 3.889 -14.379 18.260 1.00 0.00 C ATOM 1471 CE LYS A 97 4.211 -15.682 19.001 1.00 0.00 C ATOM 1472 NZ LYS A 97 5.313 -16.430 18.341 1.00 0.00 N ATOM 0 H LYS A 97 1.647 -10.108 17.424 1.00 0.00 H new ATOM 0 HA LYS A 97 0.354 -12.256 18.900 1.00 0.00 H new ATOM 0 HB2 LYS A 97 2.210 -12.535 17.194 1.00 0.00 H new ATOM 0 HB3 LYS A 97 3.285 -11.667 18.272 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.033 -13.424 19.998 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.864 -14.270 19.004 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.606 -14.598 17.230 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.776 -13.746 18.220 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.489 -15.456 20.030 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.319 -16.308 19.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.504 -17.305 18.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.037 -16.667 17.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 6.171 -15.842 18.325 1.00 0.00 H new ATOM 1486 N ASN A 98 0.998 -11.983 21.246 1.00 0.00 N ATOM 1487 CA ASN A 98 1.285 -11.910 22.685 1.00 0.00 C ATOM 1488 C ASN A 98 1.377 -13.325 23.298 1.00 0.00 C ATOM 1489 O ASN A 98 0.741 -14.261 22.805 1.00 0.00 O ATOM 1490 CB ASN A 98 0.226 -11.038 23.394 1.00 0.00 C ATOM 1491 CG ASN A 98 -1.166 -11.659 23.431 1.00 0.00 C ATOM 1492 OD1 ASN A 98 -1.812 -11.877 22.415 1.00 0.00 O ATOM 1493 ND2 ASN A 98 -1.687 -11.959 24.600 1.00 0.00 N ATOM 0 H ASN A 98 0.388 -12.767 21.015 1.00 0.00 H new ATOM 0 HA ASN A 98 2.256 -11.436 22.831 1.00 0.00 H new ATOM 0 HB2 ASN A 98 0.554 -10.845 24.416 1.00 0.00 H new ATOM 0 HB3 ASN A 98 0.169 -10.073 22.890 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -2.620 -12.369 24.653 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.159 -11.782 25.454 1.00 0.00 H new ATOM 1500 N LEU A 99 2.155 -13.484 24.375 1.00 0.00 N ATOM 1501 CA LEU A 99 2.362 -14.777 25.051 1.00 0.00 C ATOM 1502 C LEU A 99 1.143 -15.168 25.907 1.00 0.00 C ATOM 1503 O LEU A 99 0.650 -16.294 25.816 1.00 0.00 O ATOM 1504 CB LEU A 99 3.684 -14.690 25.844 1.00 0.00 C ATOM 1505 CG LEU A 99 4.219 -16.020 26.418 1.00 0.00 C ATOM 1506 CD1 LEU A 99 5.714 -15.879 26.716 1.00 0.00 C ATOM 1507 CD2 LEU A 99 3.548 -16.439 27.732 1.00 0.00 C ATOM 0 H LEU A 99 2.665 -12.714 24.808 1.00 0.00 H new ATOM 0 HA LEU A 99 2.452 -15.585 24.325 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.448 -14.265 25.193 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.544 -13.991 26.669 1.00 0.00 H new ATOM 0 HG LEU A 99 4.005 -16.776 25.663 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.094 -16.817 27.121 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.247 -15.639 25.796 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.866 -15.081 27.443 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.975 -17.382 28.074 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.714 -15.670 28.487 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.477 -16.563 27.570 1.00 0.00 H new ATOM 1519 N SER A 100 0.640 -14.224 26.709 1.00 0.00 N ATOM 1520 CA SER A 100 -0.556 -14.361 27.555 1.00 0.00 C ATOM 1521 C SER A 100 -1.219 -12.991 27.794 1.00 0.00 C ATOM 1522 O SER A 100 -0.698 -11.957 27.361 1.00 0.00 O ATOM 1523 CB SER A 100 -0.167 -15.021 28.887 1.00 0.00 C ATOM 1524 OG SER A 100 -1.324 -15.480 29.571 1.00 0.00 O ATOM 0 H SER A 100 1.072 -13.304 26.792 1.00 0.00 H new ATOM 0 HA SER A 100 -1.283 -14.993 27.044 1.00 0.00 H new ATOM 0 HB2 SER A 100 0.509 -15.856 28.702 1.00 0.00 H new ATOM 0 HB3 SER A 100 0.372 -14.307 29.510 1.00 0.00 H new ATOM 0 HG SER A 100 -1.059 -15.899 30.416 1.00 0.00 H new ATOM 1530 N GLY A 101 -2.378 -12.972 28.456 1.00 0.00 N ATOM 1531 CA GLY A 101 -3.056 -11.748 28.906 1.00 0.00 C ATOM 1532 C GLY A 101 -2.437 -11.131 30.178 1.00 0.00 C ATOM 1533 O GLY A 101 -1.602 -11.766 30.834 1.00 0.00 O ATOM 0 H GLY A 101 -2.884 -13.823 28.701 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.027 -11.011 28.104 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.106 -11.973 29.095 1.00 0.00 H new ATOM 1537 N PRO A 102 -2.836 -9.899 30.551 1.00 0.00 N ATOM 1538 CA PRO A 102 -2.379 -9.233 31.775 1.00 0.00 C ATOM 1539 C PRO A 102 -2.939 -9.892 33.050 1.00 0.00 C ATOM 1540 O PRO A 102 -4.000 -10.527 33.035 1.00 0.00 O ATOM 1541 CB PRO A 102 -2.840 -7.778 31.633 1.00 0.00 C ATOM 1542 CG PRO A 102 -4.109 -7.896 30.790 1.00 0.00 C ATOM 1543 CD PRO A 102 -3.784 -9.051 29.841 1.00 0.00 C ATOM 0 HA PRO A 102 -1.297 -9.308 31.886 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -3.041 -7.323 32.603 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -2.086 -7.163 31.142 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.983 -8.112 31.404 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -4.320 -6.975 30.247 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.685 -9.606 29.580 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -3.356 -8.682 28.909 1.00 0.00 H new ATOM 1551 N SER A 103 -2.235 -9.718 34.172 1.00 0.00 N ATOM 1552 CA SER A 103 -2.627 -10.249 35.490 1.00 0.00 C ATOM 1553 C SER A 103 -3.874 -9.559 36.064 1.00 0.00 C ATOM 1554 O SER A 103 -4.103 -8.365 35.838 1.00 0.00 O ATOM 1555 CB SER A 103 -1.469 -10.110 36.490 1.00 0.00 C ATOM 1556 OG SER A 103 -0.285 -10.726 35.999 1.00 0.00 O ATOM 0 H SER A 103 -1.360 -9.195 34.195 1.00 0.00 H new ATOM 0 HA SER A 103 -2.870 -11.301 35.338 1.00 0.00 H new ATOM 0 HB2 SER A 103 -1.278 -9.055 36.684 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.750 -10.564 37.440 1.00 0.00 H new ATOM 0 HG SER A 103 0.435 -10.620 36.655 1.00 0.00 H new ATOM 1562 N SER A 104 -4.668 -10.298 36.846 1.00 0.00 N ATOM 1563 CA SER A 104 -5.880 -9.794 37.515 1.00 0.00 C ATOM 1564 C SER A 104 -5.569 -8.791 38.640 1.00 0.00 C ATOM 1565 O SER A 104 -4.518 -8.870 39.287 1.00 0.00 O ATOM 1566 CB SER A 104 -6.698 -10.958 38.090 1.00 0.00 C ATOM 1567 OG SER A 104 -7.036 -11.887 37.069 1.00 0.00 O ATOM 0 H SER A 104 -4.486 -11.283 37.038 1.00 0.00 H new ATOM 0 HA SER A 104 -6.455 -9.269 36.753 1.00 0.00 H new ATOM 0 HB2 SER A 104 -6.126 -11.460 38.871 1.00 0.00 H new ATOM 0 HB3 SER A 104 -7.606 -10.576 38.556 1.00 0.00 H new ATOM 0 HG SER A 104 -7.556 -12.623 37.455 1.00 0.00 H new ATOM 1573 N GLY A 105 -6.500 -7.860 38.892 1.00 0.00 N ATOM 1574 CA GLY A 105 -6.435 -6.867 39.981 1.00 0.00 C ATOM 1575 C GLY A 105 -6.607 -7.474 41.377 1.00 0.00 C ATOM 1576 O GLY A 105 -5.802 -7.137 42.274 1.00 0.00 O ATOM 1577 OXT GLY A 105 -7.560 -8.262 41.573 1.00 0.00 O ATOM 0 H GLY A 105 -7.346 -7.772 38.328 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -5.476 -6.351 39.934 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -7.209 -6.116 39.823 1.00 0.00 H new TER 1581 GLY A 105