USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 676 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 92 HIS :FLIP no HD1:sc= -3.88! C(o=-6!,f=-4.6!) USER MOD Set 1.2: A 98 ASN : amide:sc= -0.696 X(o=-4.6,f=-4.6) USER MOD Set 2.1: A 27 HIS : no HD1:sc= -4.94! C(o=-4.9!,f=-11!) USER MOD Set 2.2: A 57 TYR OH : rot -136:sc= 0.0703 USER MOD Set 3.1: A 17 SER OG : rot 100:sc= 0.00232 USER MOD Set 3.2: A 84 ASN :FLIP amide:sc= -3.68! C(o=-4.8!,f=-3.7!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 170:sc= -0.149 USER MOD Single : A 8 SER OG : rot 67:sc= 1.02 USER MOD Single : A 9 ASN : amide:sc= -0.0266 X(o=-0.027,f=-0.027) USER MOD Single : A 11 TYR OH : rot 30:sc= -0.0372 USER MOD Single : A 12 SER OG : rot 180:sc= 0.166 USER MOD Single : A 13 SER OG : rot 180:sc= 0.0254 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 67:sc= 0.4 USER MOD Single : A 20 GLN :FLIP amide:sc= -12.4! C(o=-13!,f=-12!) USER MOD Single : A 24 TYR OH : rot 15:sc= 0.26 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.833 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= -1.25 USER MOD Single : A 38 TYR OH : rot 90:sc= -1.44! USER MOD Single : A 40 HIS :FLIP no HE2:sc= -10.6! C(o=-12!,f=-11!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 50:sc= -0.0187! USER MOD Single : A 43 ASN : amide:sc= -0.0579 X(o=-0.058,f=-0.067) USER MOD Single : A 44 ASN : amide:sc= -3.89! C(o=-3.9!,f=-8.6!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 39:sc= 0.00013 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0698 USER MOD Single : A 56 TYR OH : rot 180:sc= -1.5 USER MOD Single : A 63 SER OG : rot -61:sc= 1.16 USER MOD Single : A 64 SER OG : rot 41:sc= 0.402 USER MOD Single : A 68 TYR OH : rot 180:sc= 0.16 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN :FLIP amide:sc= 0.574 F(o=-0.19,f=0.57) USER MOD Single : A 83 ASN : amide:sc= -0.45 X(o=-0.45,f=-0.12) USER MOD Single : A 85 GLN : amide:sc= -0.244 X(o=-0.24,f=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= -5.19! USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.397 X(o=-0.4,f=-0.3) USER MOD Single : A 104 THR OG1 : rot -79:sc= 0.702 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.305 12.079 16.039 1.00 0.00 N ATOM 2 CA ALA A 1 0.016 10.625 16.102 1.00 0.00 C ATOM 3 C ALA A 1 0.148 10.069 14.684 1.00 0.00 C ATOM 4 O ALA A 1 -0.812 10.012 13.942 1.00 0.00 O ATOM 5 CB ALA A 1 -1.108 9.887 16.828 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.395 12.457 17.004 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.457 12.581 15.540 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.201 12.215 15.529 1.00 0.00 H new ATOM 0 HA ALA A 1 0.954 10.485 16.639 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.874 8.823 16.875 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -1.208 10.281 17.839 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.044 10.029 16.289 1.00 0.00 H new ATOM 13 N CYS A 2 1.326 9.657 14.303 1.00 0.00 N ATOM 14 CA CYS A 2 1.514 9.104 12.932 1.00 0.00 C ATOM 15 C CYS A 2 3.004 9.083 12.585 1.00 0.00 C ATOM 16 O CYS A 2 3.665 10.103 12.587 1.00 0.00 O ATOM 17 CB CYS A 2 0.777 9.984 11.924 1.00 0.00 C ATOM 18 SG CYS A 2 1.027 11.724 12.358 1.00 0.00 S ATOM 0 H CYS A 2 2.166 9.679 14.881 1.00 0.00 H new ATOM 0 HA CYS A 2 1.117 8.090 12.896 1.00 0.00 H new ATOM 0 HB2 CYS A 2 1.146 9.791 10.917 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -0.287 9.746 11.925 1.00 0.00 H new ATOM 23 N ASP A 3 3.537 7.932 12.281 1.00 0.00 N ATOM 24 CA ASP A 3 4.982 7.852 11.929 1.00 0.00 C ATOM 25 C ASP A 3 5.128 7.654 10.417 1.00 0.00 C ATOM 26 O ASP A 3 6.220 7.497 9.906 1.00 0.00 O ATOM 27 CB ASP A 3 5.625 6.673 12.663 1.00 0.00 C ATOM 28 CG ASP A 3 7.108 6.967 12.895 1.00 0.00 C ATOM 29 OD1 ASP A 3 7.400 7.985 13.500 1.00 0.00 O ATOM 30 OD2 ASP A 3 7.925 6.169 12.466 1.00 0.00 O ATOM 0 H ASP A 3 3.035 7.044 12.261 1.00 0.00 H new ATOM 0 HA ASP A 3 5.479 8.776 12.225 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.123 6.506 13.616 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.511 5.760 12.078 1.00 0.00 H new ATOM 35 N TYR A 4 4.039 7.659 9.695 1.00 0.00 N ATOM 36 CA TYR A 4 4.124 7.470 8.218 1.00 0.00 C ATOM 37 C TYR A 4 3.550 8.698 7.509 1.00 0.00 C ATOM 38 O TYR A 4 2.354 8.888 7.448 1.00 0.00 O ATOM 39 CB TYR A 4 3.322 6.229 7.818 1.00 0.00 C ATOM 40 CG TYR A 4 4.158 4.996 8.065 1.00 0.00 C ATOM 41 CD1 TYR A 4 5.472 4.935 7.585 1.00 0.00 C ATOM 42 CD2 TYR A 4 3.621 3.917 8.777 1.00 0.00 C ATOM 43 CE1 TYR A 4 6.249 3.793 7.816 1.00 0.00 C ATOM 44 CE2 TYR A 4 4.397 2.776 9.009 1.00 0.00 C ATOM 45 CZ TYR A 4 5.711 2.714 8.529 1.00 0.00 C ATOM 46 OH TYR A 4 6.475 1.589 8.760 1.00 0.00 O ATOM 0 H TYR A 4 3.096 7.786 10.063 1.00 0.00 H new ATOM 0 HA TYR A 4 5.167 7.340 7.928 1.00 0.00 H new ATOM 0 HB2 TYR A 4 2.398 6.178 8.394 1.00 0.00 H new ATOM 0 HB3 TYR A 4 3.040 6.287 6.767 1.00 0.00 H new ATOM 0 HD1 TYR A 4 5.886 5.768 7.037 1.00 0.00 H new ATOM 0 HD2 TYR A 4 2.608 3.965 9.147 1.00 0.00 H new ATOM 0 HE1 TYR A 4 7.262 3.744 7.445 1.00 0.00 H new ATOM 0 HE2 TYR A 4 3.983 1.943 9.558 1.00 0.00 H new ATOM 0 HH TYR A 4 5.951 0.936 9.270 1.00 0.00 H new ATOM 56 N THR A 5 4.393 9.533 6.968 1.00 0.00 N ATOM 57 CA THR A 5 3.886 10.744 6.260 1.00 0.00 C ATOM 58 C THR A 5 4.777 11.036 5.048 1.00 0.00 C ATOM 59 O THR A 5 5.972 11.208 5.174 1.00 0.00 O ATOM 60 CB THR A 5 3.913 11.944 7.211 1.00 0.00 C ATOM 61 OG1 THR A 5 3.069 11.683 8.323 1.00 0.00 O ATOM 62 CG2 THR A 5 3.419 13.190 6.473 1.00 0.00 C ATOM 0 H THR A 5 5.408 9.431 6.985 1.00 0.00 H new ATOM 0 HA THR A 5 2.863 10.567 5.928 1.00 0.00 H new ATOM 0 HB THR A 5 4.932 12.111 7.560 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.207 12.371 9.007 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.438 14.045 7.149 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.067 13.388 5.619 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.400 13.026 6.124 1.00 0.00 H new ATOM 70 N CYS A 6 4.205 11.098 3.875 1.00 0.00 N ATOM 71 CA CYS A 6 5.026 11.385 2.659 1.00 0.00 C ATOM 72 C CYS A 6 5.050 12.880 2.391 1.00 0.00 C ATOM 73 O CYS A 6 5.505 13.345 1.365 1.00 0.00 O ATOM 74 CB CYS A 6 4.411 10.676 1.464 1.00 0.00 C ATOM 75 SG CYS A 6 5.325 9.152 1.111 1.00 0.00 S ATOM 0 H CYS A 6 3.208 10.963 3.705 1.00 0.00 H new ATOM 0 HA CYS A 6 6.044 11.032 2.821 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.365 10.444 1.667 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.429 11.331 0.593 1.00 0.00 H new ATOM 80 N GLY A 7 4.561 13.620 3.317 1.00 0.00 N ATOM 81 CA GLY A 7 4.530 15.103 3.171 1.00 0.00 C ATOM 82 C GLY A 7 3.957 15.729 4.444 1.00 0.00 C ATOM 83 O GLY A 7 4.623 16.475 5.134 1.00 0.00 O ATOM 0 H GLY A 7 4.171 13.267 4.191 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.535 15.482 2.987 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.922 15.382 2.310 1.00 0.00 H new ATOM 87 N SER A 8 2.726 15.432 4.760 1.00 0.00 N ATOM 88 CA SER A 8 2.111 16.009 5.989 1.00 0.00 C ATOM 89 C SER A 8 0.724 15.399 6.201 1.00 0.00 C ATOM 90 O SER A 8 -0.164 16.024 6.746 1.00 0.00 O ATOM 91 CB SER A 8 1.981 17.524 5.831 1.00 0.00 C ATOM 92 OG SER A 8 3.212 18.140 6.185 1.00 0.00 O ATOM 0 H SER A 8 2.120 14.815 4.220 1.00 0.00 H new ATOM 0 HA SER A 8 2.742 15.785 6.849 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.719 17.773 4.803 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.178 17.900 6.465 1.00 0.00 H new ATOM 0 HG SER A 8 3.900 17.896 5.531 1.00 0.00 H new ATOM 98 N ASN A 9 0.530 14.181 5.773 1.00 0.00 N ATOM 99 CA ASN A 9 -0.800 13.533 5.949 1.00 0.00 C ATOM 100 C ASN A 9 -0.924 13.010 7.381 1.00 0.00 C ATOM 101 O ASN A 9 -2.011 12.852 7.904 1.00 0.00 O ATOM 102 CB ASN A 9 -0.935 12.372 4.963 1.00 0.00 C ATOM 103 CG ASN A 9 -1.663 12.855 3.710 1.00 0.00 C ATOM 104 OD1 ASN A 9 -2.848 13.124 3.745 1.00 0.00 O ATOM 105 ND2 ASN A 9 -1.000 12.979 2.593 1.00 0.00 N ATOM 0 H ASN A 9 1.235 13.607 5.309 1.00 0.00 H new ATOM 0 HA ASN A 9 -1.590 14.260 5.760 1.00 0.00 H new ATOM 0 HB2 ASN A 9 0.050 11.987 4.699 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -1.485 11.551 5.423 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -1.476 13.301 1.750 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -0.006 12.754 2.562 1.00 0.00 H new ATOM 112 N CYS A 10 0.181 12.744 8.019 1.00 0.00 N ATOM 113 CA CYS A 10 0.130 12.236 9.419 1.00 0.00 C ATOM 114 C CYS A 10 -0.667 10.932 9.462 1.00 0.00 C ATOM 115 O CYS A 10 -1.749 10.873 10.012 1.00 0.00 O ATOM 116 CB CYS A 10 -0.551 13.276 10.309 1.00 0.00 C ATOM 117 SG CYS A 10 -0.752 12.597 11.973 1.00 0.00 S ATOM 0 H CYS A 10 1.118 12.856 7.632 1.00 0.00 H new ATOM 0 HA CYS A 10 1.143 12.053 9.777 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.046 14.187 10.345 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.522 13.547 9.894 1.00 0.00 H new ATOM 122 N TYR A 11 -0.142 9.882 8.891 1.00 0.00 N ATOM 123 CA TYR A 11 -0.875 8.586 8.911 1.00 0.00 C ATOM 124 C TYR A 11 -0.483 7.805 10.163 1.00 0.00 C ATOM 125 O TYR A 11 0.681 7.682 10.491 1.00 0.00 O ATOM 126 CB TYR A 11 -0.521 7.767 7.667 1.00 0.00 C ATOM 127 CG TYR A 11 -1.499 8.084 6.565 1.00 0.00 C ATOM 128 CD1 TYR A 11 -1.237 9.134 5.679 1.00 0.00 C ATOM 129 CD2 TYR A 11 -2.668 7.327 6.429 1.00 0.00 C ATOM 130 CE1 TYR A 11 -2.145 9.430 4.656 1.00 0.00 C ATOM 131 CE2 TYR A 11 -3.576 7.621 5.406 1.00 0.00 C ATOM 132 CZ TYR A 11 -3.314 8.672 4.520 1.00 0.00 C ATOM 133 OH TYR A 11 -4.211 8.962 3.512 1.00 0.00 O ATOM 0 H TYR A 11 0.759 9.866 8.414 1.00 0.00 H new ATOM 0 HA TYR A 11 -1.948 8.779 8.918 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.495 7.996 7.344 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.550 6.702 7.899 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.334 9.717 5.784 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -2.869 6.516 7.113 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.944 10.242 3.973 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -4.478 7.037 5.300 1.00 0.00 H new ATOM 0 HH TYR A 11 -3.731 9.337 2.745 1.00 0.00 H new ATOM 143 N SER A 12 -1.445 7.278 10.866 1.00 0.00 N ATOM 144 CA SER A 12 -1.128 6.509 12.099 1.00 0.00 C ATOM 145 C SER A 12 -0.757 5.078 11.735 1.00 0.00 C ATOM 146 O SER A 12 -1.451 4.419 11.001 1.00 0.00 O ATOM 147 CB SER A 12 -2.343 6.506 13.026 1.00 0.00 C ATOM 148 OG SER A 12 -2.138 5.559 14.066 1.00 0.00 O ATOM 0 H SER A 12 -2.437 7.347 10.640 1.00 0.00 H new ATOM 0 HA SER A 12 -0.285 6.977 12.608 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.495 7.499 13.448 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.243 6.257 12.464 1.00 0.00 H new ATOM 0 HG SER A 12 -2.915 5.556 14.663 1.00 0.00 H new ATOM 154 N SER A 13 0.338 4.592 12.249 1.00 0.00 N ATOM 155 CA SER A 13 0.751 3.197 11.932 1.00 0.00 C ATOM 156 C SER A 13 -0.380 2.236 12.311 1.00 0.00 C ATOM 157 O SER A 13 -0.420 1.106 11.870 1.00 0.00 O ATOM 158 CB SER A 13 2.010 2.846 12.727 1.00 0.00 C ATOM 159 OG SER A 13 1.911 3.403 14.031 1.00 0.00 O ATOM 0 H SER A 13 0.964 5.100 12.874 1.00 0.00 H new ATOM 0 HA SER A 13 0.961 3.110 10.866 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.125 1.764 12.789 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.894 3.232 12.220 1.00 0.00 H new ATOM 0 HG SER A 13 2.715 3.179 14.544 1.00 0.00 H new ATOM 165 N SER A 14 -1.300 2.679 13.126 1.00 0.00 N ATOM 166 CA SER A 14 -2.427 1.795 13.533 1.00 0.00 C ATOM 167 C SER A 14 -3.544 1.876 12.491 1.00 0.00 C ATOM 168 O SER A 14 -4.241 0.914 12.240 1.00 0.00 O ATOM 169 CB SER A 14 -2.966 2.243 14.891 1.00 0.00 C ATOM 170 OG SER A 14 -2.838 1.179 15.824 1.00 0.00 O ATOM 0 H SER A 14 -1.318 3.617 13.527 1.00 0.00 H new ATOM 0 HA SER A 14 -2.071 0.767 13.605 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.417 3.117 15.242 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.011 2.538 14.800 1.00 0.00 H new ATOM 0 HG SER A 14 -3.182 1.465 16.696 1.00 0.00 H new ATOM 176 N ASP A 15 -3.712 3.013 11.874 1.00 0.00 N ATOM 177 CA ASP A 15 -4.772 3.144 10.841 1.00 0.00 C ATOM 178 C ASP A 15 -4.279 2.476 9.565 1.00 0.00 C ATOM 179 O ASP A 15 -5.027 1.837 8.853 1.00 0.00 O ATOM 180 CB ASP A 15 -5.061 4.622 10.576 1.00 0.00 C ATOM 181 CG ASP A 15 -6.563 4.814 10.354 1.00 0.00 C ATOM 182 OD1 ASP A 15 -6.993 4.698 9.217 1.00 0.00 O ATOM 183 OD2 ASP A 15 -7.257 5.072 11.322 1.00 0.00 O ATOM 0 H ASP A 15 -3.161 3.855 12.042 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.691 2.668 11.184 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.727 5.226 11.419 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.506 4.961 9.701 1.00 0.00 H new ATOM 188 N VAL A 16 -3.015 2.606 9.277 1.00 0.00 N ATOM 189 CA VAL A 16 -2.471 1.962 8.057 1.00 0.00 C ATOM 190 C VAL A 16 -2.870 0.487 8.066 1.00 0.00 C ATOM 191 O VAL A 16 -3.178 -0.094 7.046 1.00 0.00 O ATOM 192 CB VAL A 16 -0.947 2.071 8.049 1.00 0.00 C ATOM 193 CG1 VAL A 16 -0.410 1.546 6.718 1.00 0.00 C ATOM 194 CG2 VAL A 16 -0.538 3.537 8.223 1.00 0.00 C ATOM 0 H VAL A 16 -2.339 3.129 9.834 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.869 2.457 7.171 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.534 1.481 8.867 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.677 1.622 6.709 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.702 0.503 6.594 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.822 2.138 5.901 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.549 3.615 8.217 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.948 4.129 7.405 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.924 3.912 9.171 1.00 0.00 H new ATOM 204 N SER A 17 -2.868 -0.118 9.224 1.00 0.00 N ATOM 205 CA SER A 17 -3.248 -1.555 9.325 1.00 0.00 C ATOM 206 C SER A 17 -4.688 -1.733 8.843 1.00 0.00 C ATOM 207 O SER A 17 -4.997 -2.654 8.115 1.00 0.00 O ATOM 208 CB SER A 17 -3.136 -2.001 10.784 1.00 0.00 C ATOM 209 OG SER A 17 -4.171 -2.930 11.072 1.00 0.00 O ATOM 0 H SER A 17 -2.618 0.325 10.108 1.00 0.00 H new ATOM 0 HA SER A 17 -2.583 -2.158 8.707 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.162 -2.457 10.963 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.211 -1.139 11.447 1.00 0.00 H new ATOM 0 HG SER A 17 -3.811 -3.841 11.039 1.00 0.00 H new ATOM 215 N THR A 18 -5.572 -0.856 9.237 1.00 0.00 N ATOM 216 CA THR A 18 -6.986 -0.981 8.785 1.00 0.00 C ATOM 217 C THR A 18 -7.012 -0.927 7.260 1.00 0.00 C ATOM 218 O THR A 18 -7.626 -1.744 6.604 1.00 0.00 O ATOM 219 CB THR A 18 -7.823 0.169 9.356 1.00 0.00 C ATOM 220 OG1 THR A 18 -6.964 1.140 9.936 1.00 0.00 O ATOM 221 CG2 THR A 18 -8.774 -0.372 10.426 1.00 0.00 C ATOM 0 H THR A 18 -5.377 -0.063 9.849 1.00 0.00 H new ATOM 0 HA THR A 18 -7.405 -1.924 9.136 1.00 0.00 H new ATOM 0 HB THR A 18 -8.401 0.628 8.554 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.435 1.570 9.232 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.369 0.446 10.832 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.435 -1.116 9.982 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.196 -0.832 11.227 1.00 0.00 H new ATOM 229 N ALA A 19 -6.325 0.023 6.691 1.00 0.00 N ATOM 230 CA ALA A 19 -6.280 0.127 5.209 1.00 0.00 C ATOM 231 C ALA A 19 -5.445 -1.032 4.666 1.00 0.00 C ATOM 232 O ALA A 19 -5.472 -1.338 3.490 1.00 0.00 O ATOM 233 CB ALA A 19 -5.627 1.453 4.810 1.00 0.00 C ATOM 0 H ALA A 19 -5.791 0.734 7.191 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.290 0.087 4.801 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.594 1.530 3.723 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.209 2.281 5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.613 1.493 5.208 1.00 0.00 H new ATOM 239 N GLN A 20 -4.701 -1.677 5.522 1.00 0.00 N ATOM 240 CA GLN A 20 -3.857 -2.818 5.075 1.00 0.00 C ATOM 241 C GLN A 20 -4.667 -4.110 5.179 1.00 0.00 C ATOM 242 O GLN A 20 -4.294 -5.132 4.641 1.00 0.00 O ATOM 243 CB GLN A 20 -2.603 -2.896 5.965 1.00 0.00 C ATOM 244 CG GLN A 20 -1.321 -2.819 5.114 1.00 0.00 C ATOM 245 CD GLN A 20 -1.513 -1.839 3.953 1.00 0.00 C ATOM 246 OE1 GLN A 20 -2.205 -0.750 4.144 1.00 0.00 O flip ATOM 247 NE2 GLN A 20 -1.042 -2.079 2.857 1.00 0.00 N flip ATOM 0 H GLN A 20 -4.642 -1.461 6.517 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.548 -2.677 4.039 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.614 -2.081 6.688 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.612 -3.826 6.533 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.483 -2.500 5.734 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.073 -3.807 4.727 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.501 -2.931 2.710 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.188 -1.428 2.085 1.00 0.00 H new ATOM 256 N ALA A 21 -5.789 -4.066 5.846 1.00 0.00 N ATOM 257 CA ALA A 21 -6.633 -5.286 5.954 1.00 0.00 C ATOM 258 C ALA A 21 -7.676 -5.247 4.839 1.00 0.00 C ATOM 259 O ALA A 21 -8.226 -6.257 4.451 1.00 0.00 O ATOM 260 CB ALA A 21 -7.333 -5.324 7.311 1.00 0.00 C ATOM 0 H ALA A 21 -6.155 -3.240 6.319 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.011 -6.176 5.861 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.948 -6.222 7.378 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.587 -5.335 8.105 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.965 -4.442 7.419 1.00 0.00 H new ATOM 266 N ALA A 22 -7.938 -4.080 4.312 1.00 0.00 N ATOM 267 CA ALA A 22 -8.927 -3.964 3.208 1.00 0.00 C ATOM 268 C ALA A 22 -8.263 -4.442 1.918 1.00 0.00 C ATOM 269 O ALA A 22 -8.680 -5.406 1.312 1.00 0.00 O ATOM 270 CB ALA A 22 -9.354 -2.503 3.051 1.00 0.00 C ATOM 0 H ALA A 22 -7.507 -3.202 4.601 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.807 -4.569 3.427 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.079 -2.421 2.241 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.806 -2.154 3.979 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.482 -1.892 2.820 1.00 0.00 H new ATOM 276 N GLY A 23 -7.212 -3.785 1.507 1.00 0.00 N ATOM 277 CA GLY A 23 -6.507 -4.217 0.271 1.00 0.00 C ATOM 278 C GLY A 23 -6.105 -5.684 0.431 1.00 0.00 C ATOM 279 O GLY A 23 -5.936 -6.406 -0.531 1.00 0.00 O ATOM 0 H GLY A 23 -6.814 -2.970 1.974 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.154 -4.094 -0.597 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.625 -3.599 0.102 1.00 0.00 H new ATOM 283 N TYR A 24 -5.957 -6.124 1.652 1.00 0.00 N ATOM 284 CA TYR A 24 -5.572 -7.540 1.905 1.00 0.00 C ATOM 285 C TYR A 24 -6.772 -8.446 1.628 1.00 0.00 C ATOM 286 O TYR A 24 -6.661 -9.460 0.968 1.00 0.00 O ATOM 287 CB TYR A 24 -5.149 -7.689 3.368 1.00 0.00 C ATOM 288 CG TYR A 24 -4.858 -9.138 3.671 1.00 0.00 C ATOM 289 CD1 TYR A 24 -4.177 -9.924 2.736 1.00 0.00 C ATOM 290 CD2 TYR A 24 -5.267 -9.695 4.889 1.00 0.00 C ATOM 291 CE1 TYR A 24 -3.903 -11.267 3.017 1.00 0.00 C ATOM 292 CE2 TYR A 24 -4.994 -11.038 5.170 1.00 0.00 C ATOM 293 CZ TYR A 24 -4.311 -11.825 4.234 1.00 0.00 C ATOM 294 OH TYR A 24 -4.040 -13.150 4.512 1.00 0.00 O ATOM 0 H TYR A 24 -6.088 -5.558 2.490 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.745 -7.821 1.253 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.265 -7.082 3.564 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -5.939 -7.322 4.024 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.862 -9.494 1.797 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.793 -9.088 5.611 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.377 -11.873 2.295 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.310 -11.468 6.109 1.00 0.00 H new ATOM 0 HH TYR A 24 -3.366 -13.485 3.885 1.00 0.00 H new ATOM 304 N GLN A 25 -7.922 -8.082 2.126 1.00 0.00 N ATOM 305 CA GLN A 25 -9.135 -8.913 1.892 1.00 0.00 C ATOM 306 C GLN A 25 -9.478 -8.880 0.404 1.00 0.00 C ATOM 307 O GLN A 25 -9.437 -9.886 -0.274 1.00 0.00 O ATOM 308 CB GLN A 25 -10.305 -8.350 2.703 1.00 0.00 C ATOM 309 CG GLN A 25 -10.822 -9.422 3.665 1.00 0.00 C ATOM 310 CD GLN A 25 -11.083 -8.795 5.036 1.00 0.00 C ATOM 311 OE1 GLN A 25 -10.202 -8.743 5.871 1.00 0.00 O ATOM 312 NE2 GLN A 25 -12.267 -8.313 5.305 1.00 0.00 N ATOM 0 H GLN A 25 -8.073 -7.243 2.686 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.946 -9.940 2.203 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.985 -7.470 3.261 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.104 -8.030 2.034 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.739 -9.864 3.275 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.093 -10.227 3.755 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.007 -8.357 4.604 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.452 -7.893 6.216 1.00 0.00 H new ATOM 321 N LEU A 26 -9.810 -7.727 -0.112 1.00 0.00 N ATOM 322 CA LEU A 26 -10.146 -7.627 -1.559 1.00 0.00 C ATOM 323 C LEU A 26 -9.122 -8.426 -2.366 1.00 0.00 C ATOM 324 O LEU A 26 -9.436 -9.016 -3.381 1.00 0.00 O ATOM 325 CB LEU A 26 -10.102 -6.159 -1.991 1.00 0.00 C ATOM 326 CG LEU A 26 -11.303 -5.848 -2.886 1.00 0.00 C ATOM 327 CD1 LEU A 26 -12.590 -5.944 -2.065 1.00 0.00 C ATOM 328 CD2 LEU A 26 -11.162 -4.433 -3.450 1.00 0.00 C ATOM 0 H LEU A 26 -9.863 -6.851 0.407 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.145 -8.026 -1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.112 -5.512 -1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.175 -5.955 -2.527 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.342 -6.565 -3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -13.446 -5.722 -2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.690 -6.952 -1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.553 -5.227 -1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -12.017 -4.209 -4.088 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.124 -3.716 -2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.245 -4.364 -4.035 1.00 0.00 H new ATOM 340 N HIS A 27 -7.897 -8.453 -1.917 1.00 0.00 N ATOM 341 CA HIS A 27 -6.849 -9.216 -2.650 1.00 0.00 C ATOM 342 C HIS A 27 -7.204 -10.703 -2.634 1.00 0.00 C ATOM 343 O HIS A 27 -7.371 -11.326 -3.663 1.00 0.00 O ATOM 344 CB HIS A 27 -5.492 -9.004 -1.969 1.00 0.00 C ATOM 345 CG HIS A 27 -4.525 -10.068 -2.421 1.00 0.00 C ATOM 346 ND1 HIS A 27 -4.563 -10.608 -3.697 1.00 0.00 N ATOM 347 CD2 HIS A 27 -3.498 -10.711 -1.773 1.00 0.00 C ATOM 348 CE1 HIS A 27 -3.588 -11.531 -3.776 1.00 0.00 C ATOM 349 NE2 HIS A 27 -2.909 -11.635 -2.632 1.00 0.00 N ATOM 0 H HIS A 27 -7.577 -7.979 -1.073 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.794 -8.866 -3.681 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.102 -8.016 -2.214 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.608 -9.041 -0.886 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -3.194 -10.528 -0.753 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.380 -12.117 -4.659 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -2.127 -12.258 -2.430 1.00 0.00 H new ATOM 358 N GLU A 28 -7.310 -11.273 -1.469 1.00 0.00 N ATOM 359 CA GLU A 28 -7.643 -12.720 -1.371 1.00 0.00 C ATOM 360 C GLU A 28 -9.160 -12.902 -1.444 1.00 0.00 C ATOM 361 O GLU A 28 -9.681 -13.966 -1.171 1.00 0.00 O ATOM 362 CB GLU A 28 -7.129 -13.269 -0.038 1.00 0.00 C ATOM 363 CG GLU A 28 -6.307 -14.535 -0.291 1.00 0.00 C ATOM 364 CD GLU A 28 -7.231 -15.653 -0.778 1.00 0.00 C ATOM 365 OE1 GLU A 28 -7.774 -15.515 -1.862 1.00 0.00 O ATOM 366 OE2 GLU A 28 -7.382 -16.626 -0.058 1.00 0.00 O ATOM 0 H GLU A 28 -7.180 -10.798 -0.576 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.173 -13.258 -2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.517 -12.520 0.465 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.967 -13.492 0.623 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.534 -14.338 -1.034 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.799 -14.841 0.624 1.00 0.00 H new ATOM 373 N ASP A 29 -9.874 -11.873 -1.807 1.00 0.00 N ATOM 374 CA ASP A 29 -11.356 -11.990 -1.894 1.00 0.00 C ATOM 375 C ASP A 29 -11.767 -12.179 -3.355 1.00 0.00 C ATOM 376 O ASP A 29 -12.818 -12.713 -3.651 1.00 0.00 O ATOM 377 CB ASP A 29 -12.007 -10.717 -1.344 1.00 0.00 C ATOM 378 CG ASP A 29 -12.569 -10.990 0.053 1.00 0.00 C ATOM 379 OD1 ASP A 29 -11.794 -10.983 0.995 1.00 0.00 O ATOM 380 OD2 ASP A 29 -13.766 -11.201 0.157 1.00 0.00 O ATOM 0 H ASP A 29 -9.495 -10.957 -2.047 1.00 0.00 H new ATOM 0 HA ASP A 29 -11.685 -12.848 -1.307 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -11.274 -9.911 -1.301 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -12.805 -10.387 -2.010 1.00 0.00 H new ATOM 385 N GLY A 30 -10.946 -11.744 -4.272 1.00 0.00 N ATOM 386 CA GLY A 30 -11.295 -11.897 -5.713 1.00 0.00 C ATOM 387 C GLY A 30 -12.134 -10.700 -6.164 1.00 0.00 C ATOM 388 O GLY A 30 -12.282 -10.442 -7.342 1.00 0.00 O ATOM 0 H GLY A 30 -10.051 -11.291 -4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.387 -11.965 -6.313 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.850 -12.822 -5.868 1.00 0.00 H new ATOM 392 N GLU A 31 -12.683 -9.964 -5.235 1.00 0.00 N ATOM 393 CA GLU A 31 -13.509 -8.782 -5.610 1.00 0.00 C ATOM 394 C GLU A 31 -12.596 -7.678 -6.149 1.00 0.00 C ATOM 395 O GLU A 31 -11.572 -7.944 -6.746 1.00 0.00 O ATOM 396 CB GLU A 31 -14.259 -8.271 -4.378 1.00 0.00 C ATOM 397 CG GLU A 31 -15.595 -7.663 -4.807 1.00 0.00 C ATOM 398 CD GLU A 31 -16.744 -8.456 -4.181 1.00 0.00 C ATOM 399 OE1 GLU A 31 -16.625 -8.820 -3.022 1.00 0.00 O ATOM 400 OE2 GLU A 31 -17.723 -8.686 -4.871 1.00 0.00 O ATOM 0 H GLU A 31 -12.595 -10.131 -4.233 1.00 0.00 H new ATOM 0 HA GLU A 31 -14.229 -9.067 -6.377 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -14.428 -9.089 -3.678 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -13.659 -7.525 -3.858 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.648 -6.620 -4.496 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -15.680 -7.676 -5.894 1.00 0.00 H new ATOM 407 N THR A 32 -12.955 -6.442 -5.941 1.00 0.00 N ATOM 408 CA THR A 32 -12.104 -5.327 -6.442 1.00 0.00 C ATOM 409 C THR A 32 -12.615 -4.002 -5.872 1.00 0.00 C ATOM 410 O THR A 32 -13.529 -3.970 -5.072 1.00 0.00 O ATOM 411 CB THR A 32 -12.165 -5.287 -7.971 1.00 0.00 C ATOM 412 OG1 THR A 32 -12.913 -6.401 -8.440 1.00 0.00 O ATOM 413 CG2 THR A 32 -10.748 -5.345 -8.543 1.00 0.00 C ATOM 0 H THR A 32 -13.800 -6.156 -5.446 1.00 0.00 H new ATOM 0 HA THR A 32 -11.073 -5.483 -6.126 1.00 0.00 H new ATOM 0 HB THR A 32 -12.645 -4.363 -8.292 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.955 -6.378 -9.419 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.794 -5.316 -9.632 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.174 -4.492 -8.181 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.264 -6.268 -8.224 1.00 0.00 H new ATOM 421 N VAL A 33 -12.030 -2.907 -6.272 1.00 0.00 N ATOM 422 CA VAL A 33 -12.482 -1.588 -5.749 1.00 0.00 C ATOM 423 C VAL A 33 -13.591 -1.026 -6.655 1.00 0.00 C ATOM 424 O VAL A 33 -14.578 -1.687 -6.909 1.00 0.00 O ATOM 425 CB VAL A 33 -11.286 -0.635 -5.701 1.00 0.00 C ATOM 426 CG1 VAL A 33 -10.298 -1.115 -4.635 1.00 0.00 C ATOM 427 CG2 VAL A 33 -10.593 -0.618 -7.064 1.00 0.00 C ATOM 0 H VAL A 33 -11.259 -2.869 -6.938 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.885 -1.701 -4.743 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.630 0.370 -5.455 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -9.445 -0.438 -4.599 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -10.791 -1.131 -3.663 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -9.954 -2.119 -4.883 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.741 0.061 -7.030 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.247 -1.622 -7.309 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.296 -0.280 -7.825 1.00 0.00 H new ATOM 437 N GLY A 34 -13.454 0.185 -7.138 1.00 0.00 N ATOM 438 CA GLY A 34 -14.522 0.757 -8.009 1.00 0.00 C ATOM 439 C GLY A 34 -13.906 1.335 -9.285 1.00 0.00 C ATOM 440 O GLY A 34 -14.604 1.785 -10.173 1.00 0.00 O ATOM 0 H GLY A 34 -12.655 0.796 -6.967 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.247 -0.016 -8.264 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -15.062 1.536 -7.471 1.00 0.00 H new ATOM 444 N SER A 35 -12.606 1.326 -9.391 1.00 0.00 N ATOM 445 CA SER A 35 -11.958 1.876 -10.615 1.00 0.00 C ATOM 446 C SER A 35 -11.354 0.725 -11.423 1.00 0.00 C ATOM 447 O SER A 35 -12.016 0.110 -12.234 1.00 0.00 O ATOM 448 CB SER A 35 -10.855 2.857 -10.211 1.00 0.00 C ATOM 449 OG SER A 35 -11.360 4.185 -10.274 1.00 0.00 O ATOM 0 H SER A 35 -11.966 0.963 -8.685 1.00 0.00 H new ATOM 0 HA SER A 35 -12.698 2.398 -11.221 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.507 2.636 -9.202 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.997 2.750 -10.874 1.00 0.00 H new ATOM 0 HG SER A 35 -10.656 4.815 -10.014 1.00 0.00 H new ATOM 455 N ASN A 36 -10.102 0.429 -11.205 1.00 0.00 N ATOM 456 CA ASN A 36 -9.456 -0.681 -11.955 1.00 0.00 C ATOM 457 C ASN A 36 -8.736 -1.598 -10.964 1.00 0.00 C ATOM 458 O ASN A 36 -7.540 -1.796 -11.044 1.00 0.00 O ATOM 459 CB ASN A 36 -8.445 -0.100 -12.942 1.00 0.00 C ATOM 460 CG ASN A 36 -9.064 -0.051 -14.340 1.00 0.00 C ATOM 461 OD1 ASN A 36 -9.005 -1.016 -15.077 1.00 0.00 O ATOM 462 ND2 ASN A 36 -9.661 1.039 -14.739 1.00 0.00 N ATOM 0 H ASN A 36 -9.499 0.910 -10.538 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.209 -1.250 -12.501 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.150 0.901 -12.629 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.542 -0.710 -12.954 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -10.078 1.081 -15.669 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -9.711 1.849 -14.121 1.00 0.00 H new ATOM 469 N SER A 37 -9.454 -2.152 -10.025 1.00 0.00 N ATOM 470 CA SER A 37 -8.807 -3.047 -9.025 1.00 0.00 C ATOM 471 C SER A 37 -7.701 -2.275 -8.308 1.00 0.00 C ATOM 472 O SER A 37 -7.690 -1.060 -8.304 1.00 0.00 O ATOM 473 CB SER A 37 -8.212 -4.262 -9.736 1.00 0.00 C ATOM 474 OG SER A 37 -8.043 -5.317 -8.798 1.00 0.00 O ATOM 0 H SER A 37 -10.459 -2.024 -9.908 1.00 0.00 H new ATOM 0 HA SER A 37 -9.546 -3.386 -8.299 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.868 -4.581 -10.546 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.254 -4.002 -10.185 1.00 0.00 H new ATOM 0 HG SER A 37 -7.663 -6.099 -9.250 1.00 0.00 H new ATOM 480 N TYR A 38 -6.758 -2.963 -7.721 1.00 0.00 N ATOM 481 CA TYR A 38 -5.650 -2.252 -7.023 1.00 0.00 C ATOM 482 C TYR A 38 -4.829 -3.193 -6.132 1.00 0.00 C ATOM 483 O TYR A 38 -3.617 -3.108 -6.124 1.00 0.00 O ATOM 484 CB TYR A 38 -6.205 -1.114 -6.166 1.00 0.00 C ATOM 485 CG TYR A 38 -5.532 0.166 -6.592 1.00 0.00 C ATOM 486 CD1 TYR A 38 -4.171 0.351 -6.330 1.00 0.00 C ATOM 487 CD2 TYR A 38 -6.258 1.159 -7.261 1.00 0.00 C ATOM 488 CE1 TYR A 38 -3.532 1.526 -6.737 1.00 0.00 C ATOM 489 CE2 TYR A 38 -5.619 2.337 -7.667 1.00 0.00 C ATOM 490 CZ TYR A 38 -4.256 2.520 -7.405 1.00 0.00 C ATOM 491 OH TYR A 38 -3.624 3.678 -7.808 1.00 0.00 O ATOM 0 H TYR A 38 -6.708 -3.981 -7.695 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.993 -1.854 -7.797 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.285 -1.036 -6.291 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -6.019 -1.308 -5.110 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.613 -0.415 -5.812 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.309 1.017 -7.464 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.480 1.666 -6.536 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.178 3.104 -8.182 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.267 3.558 -8.713 1.00 0.00 H new ATOM 501 N PRO A 39 -5.485 -4.044 -5.388 1.00 0.00 N ATOM 502 CA PRO A 39 -4.785 -4.964 -4.479 1.00 0.00 C ATOM 503 C PRO A 39 -4.115 -6.124 -5.225 1.00 0.00 C ATOM 504 O PRO A 39 -4.743 -7.102 -5.579 1.00 0.00 O ATOM 505 CB PRO A 39 -5.885 -5.461 -3.548 1.00 0.00 C ATOM 506 CG PRO A 39 -7.222 -5.245 -4.288 1.00 0.00 C ATOM 507 CD PRO A 39 -6.960 -4.180 -5.366 1.00 0.00 C ATOM 0 HA PRO A 39 -3.969 -4.474 -3.949 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.742 -6.514 -3.307 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -5.871 -4.914 -2.606 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.570 -6.175 -4.738 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.998 -4.915 -3.598 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.346 -4.492 -6.336 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.444 -3.235 -5.119 1.00 0.00 H new ATOM 515 N HIS A 40 -2.830 -6.020 -5.428 1.00 0.00 N ATOM 516 CA HIS A 40 -2.065 -7.111 -6.109 1.00 0.00 C ATOM 517 C HIS A 40 -0.685 -7.208 -5.467 1.00 0.00 C ATOM 518 O HIS A 40 -0.339 -6.421 -4.614 1.00 0.00 O ATOM 519 CB HIS A 40 -1.912 -6.839 -7.613 1.00 0.00 C ATOM 520 CG HIS A 40 -2.636 -5.582 -8.001 1.00 0.00 C ATOM 521 ND1 HIS A 40 -2.226 -4.279 -8.145 1.00 0.00 N flip ATOM 522 CD2 HIS A 40 -3.982 -5.593 -8.313 1.00 0.00 C flip ATOM 523 CE1 HIS A 40 -3.303 -3.495 -8.543 1.00 0.00 C flip ATOM 524 NE2 HIS A 40 -4.335 -4.339 -8.626 1.00 0.00 N flip ATOM 0 H HIS A 40 -2.268 -5.216 -5.148 1.00 0.00 H new ATOM 0 HA HIS A 40 -2.613 -8.046 -5.995 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.856 -6.749 -7.866 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.305 -7.682 -8.182 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -1.278 -3.939 -7.985 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -4.632 -6.456 -8.306 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.305 -2.433 -8.742 1.00 0.00 H new ATOM 533 N LYS A 41 0.106 -8.169 -5.856 1.00 0.00 N ATOM 534 CA LYS A 41 1.456 -8.305 -5.243 1.00 0.00 C ATOM 535 C LYS A 41 2.374 -7.183 -5.740 1.00 0.00 C ATOM 536 O LYS A 41 2.150 -6.598 -6.781 1.00 0.00 O ATOM 537 CB LYS A 41 2.054 -9.667 -5.610 1.00 0.00 C ATOM 538 CG LYS A 41 2.570 -9.642 -7.051 1.00 0.00 C ATOM 539 CD LYS A 41 3.330 -10.938 -7.340 1.00 0.00 C ATOM 540 CE LYS A 41 2.386 -11.940 -8.005 1.00 0.00 C ATOM 541 NZ LYS A 41 2.846 -12.204 -9.396 1.00 0.00 N ATOM 0 H LYS A 41 -0.123 -8.863 -6.568 1.00 0.00 H new ATOM 0 HA LYS A 41 1.364 -8.232 -4.159 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.868 -9.911 -4.928 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.300 -10.446 -5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.737 -9.533 -7.746 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.224 -8.783 -7.200 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.181 -10.737 -7.990 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.727 -11.354 -6.414 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.364 -12.869 -7.435 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.369 -11.547 -8.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.205 -12.886 -9.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.846 -11.315 -9.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.809 -12.596 -9.375 1.00 0.00 H new ATOM 555 N TYR A 42 3.408 -6.884 -4.999 1.00 0.00 N ATOM 556 CA TYR A 42 4.350 -5.806 -5.418 1.00 0.00 C ATOM 557 C TYR A 42 5.768 -6.177 -4.976 1.00 0.00 C ATOM 558 O TYR A 42 6.195 -5.843 -3.891 1.00 0.00 O ATOM 559 CB TYR A 42 3.948 -4.484 -4.760 1.00 0.00 C ATOM 560 CG TYR A 42 4.946 -3.415 -5.142 1.00 0.00 C ATOM 561 CD1 TYR A 42 4.952 -2.897 -6.443 1.00 0.00 C ATOM 562 CD2 TYR A 42 5.869 -2.945 -4.198 1.00 0.00 C ATOM 563 CE1 TYR A 42 5.878 -1.910 -6.800 1.00 0.00 C ATOM 564 CE2 TYR A 42 6.795 -1.958 -4.556 1.00 0.00 C ATOM 565 CZ TYR A 42 6.800 -1.440 -5.856 1.00 0.00 C ATOM 566 OH TYR A 42 7.715 -0.469 -6.211 1.00 0.00 O ATOM 0 H TYR A 42 3.641 -7.342 -4.118 1.00 0.00 H new ATOM 0 HA TYR A 42 4.315 -5.696 -6.502 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.947 -4.195 -5.080 1.00 0.00 H new ATOM 0 HB3 TYR A 42 3.916 -4.598 -3.676 1.00 0.00 H new ATOM 0 HD1 TYR A 42 4.242 -3.259 -7.171 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.866 -3.344 -3.194 1.00 0.00 H new ATOM 0 HE1 TYR A 42 5.882 -1.511 -7.803 1.00 0.00 H new ATOM 0 HE2 TYR A 42 7.506 -1.596 -3.828 1.00 0.00 H new ATOM 0 HH TYR A 42 7.251 0.272 -6.653 1.00 0.00 H new ATOM 576 N ASN A 43 6.497 -6.871 -5.803 1.00 0.00 N ATOM 577 CA ASN A 43 7.881 -7.269 -5.419 1.00 0.00 C ATOM 578 C ASN A 43 8.677 -6.040 -4.961 1.00 0.00 C ATOM 579 O ASN A 43 8.710 -5.717 -3.790 1.00 0.00 O ATOM 580 CB ASN A 43 8.575 -7.921 -6.618 1.00 0.00 C ATOM 581 CG ASN A 43 7.774 -9.144 -7.067 1.00 0.00 C ATOM 582 OD1 ASN A 43 7.099 -9.104 -8.077 1.00 0.00 O ATOM 583 ND2 ASN A 43 7.821 -10.235 -6.355 1.00 0.00 N ATOM 0 H ASN A 43 6.196 -7.180 -6.727 1.00 0.00 H new ATOM 0 HA ASN A 43 7.833 -7.982 -4.596 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.658 -7.206 -7.437 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.589 -8.216 -6.349 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.291 -11.057 -6.645 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.388 -10.267 -5.508 1.00 0.00 H new ATOM 590 N ASN A 44 9.323 -5.356 -5.871 1.00 0.00 N ATOM 591 CA ASN A 44 10.120 -4.155 -5.484 1.00 0.00 C ATOM 592 C ASN A 44 11.108 -3.820 -6.607 1.00 0.00 C ATOM 593 O ASN A 44 11.764 -4.689 -7.147 1.00 0.00 O ATOM 594 CB ASN A 44 10.899 -4.445 -4.197 1.00 0.00 C ATOM 595 CG ASN A 44 11.416 -5.886 -4.222 1.00 0.00 C ATOM 596 OD1 ASN A 44 11.319 -6.562 -5.226 1.00 0.00 O ATOM 597 ND2 ASN A 44 11.970 -6.385 -3.152 1.00 0.00 N ATOM 0 H ASN A 44 9.332 -5.579 -6.866 1.00 0.00 H new ATOM 0 HA ASN A 44 9.448 -3.313 -5.319 1.00 0.00 H new ATOM 0 HB2 ASN A 44 11.733 -3.750 -4.101 1.00 0.00 H new ATOM 0 HB3 ASN A 44 10.257 -4.294 -3.329 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.321 -7.343 -3.159 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.052 -5.818 -2.308 1.00 0.00 H new ATOM 604 N TYR A 45 11.220 -2.570 -6.966 1.00 0.00 N ATOM 605 CA TYR A 45 12.167 -2.190 -8.056 1.00 0.00 C ATOM 606 C TYR A 45 13.033 -1.012 -7.605 1.00 0.00 C ATOM 607 O TYR A 45 13.886 -0.543 -8.333 1.00 0.00 O ATOM 608 CB TYR A 45 11.375 -1.780 -9.299 1.00 0.00 C ATOM 609 CG TYR A 45 10.825 -3.011 -9.977 1.00 0.00 C ATOM 610 CD1 TYR A 45 11.640 -3.767 -10.828 1.00 0.00 C ATOM 611 CD2 TYR A 45 9.499 -3.393 -9.756 1.00 0.00 C ATOM 612 CE1 TYR A 45 11.125 -4.907 -11.457 1.00 0.00 C ATOM 613 CE2 TYR A 45 8.984 -4.532 -10.385 1.00 0.00 C ATOM 614 CZ TYR A 45 9.796 -5.289 -11.236 1.00 0.00 C ATOM 615 OH TYR A 45 9.288 -6.411 -11.857 1.00 0.00 O ATOM 0 H TYR A 45 10.699 -1.796 -6.554 1.00 0.00 H new ATOM 0 HA TYR A 45 12.805 -3.043 -8.287 1.00 0.00 H new ATOM 0 HB2 TYR A 45 10.560 -1.112 -9.020 1.00 0.00 H new ATOM 0 HB3 TYR A 45 12.017 -1.230 -9.987 1.00 0.00 H new ATOM 0 HD1 TYR A 45 12.665 -3.471 -10.999 1.00 0.00 H new ATOM 0 HD2 TYR A 45 8.871 -2.809 -9.099 1.00 0.00 H new ATOM 0 HE1 TYR A 45 11.753 -5.492 -12.113 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.959 -4.827 -10.213 1.00 0.00 H new ATOM 0 HH TYR A 45 8.352 -6.535 -11.595 1.00 0.00 H new ATOM 625 N GLU A 46 12.820 -0.526 -6.414 1.00 0.00 N ATOM 626 CA GLU A 46 13.612 0.612 -5.912 1.00 0.00 C ATOM 627 C GLU A 46 14.697 0.076 -4.971 1.00 0.00 C ATOM 628 O GLU A 46 15.677 0.736 -4.686 1.00 0.00 O ATOM 629 CB GLU A 46 12.637 1.552 -5.179 1.00 0.00 C ATOM 630 CG GLU A 46 13.245 2.061 -3.879 1.00 0.00 C ATOM 631 CD GLU A 46 12.661 3.432 -3.539 1.00 0.00 C ATOM 632 OE1 GLU A 46 12.299 4.145 -4.460 1.00 0.00 O ATOM 633 OE2 GLU A 46 12.585 3.747 -2.362 1.00 0.00 O ATOM 0 H GLU A 46 12.118 -0.880 -5.764 1.00 0.00 H new ATOM 0 HA GLU A 46 14.107 1.159 -6.714 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.386 2.395 -5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.707 1.024 -4.968 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.041 1.358 -3.071 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.328 2.130 -3.976 1.00 0.00 H new ATOM 640 N GLY A 47 14.516 -1.115 -4.477 1.00 0.00 N ATOM 641 CA GLY A 47 15.514 -1.695 -3.542 1.00 0.00 C ATOM 642 C GLY A 47 14.918 -1.665 -2.139 1.00 0.00 C ATOM 643 O GLY A 47 15.621 -1.669 -1.148 1.00 0.00 O ATOM 0 H GLY A 47 13.716 -1.714 -4.682 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.758 -2.717 -3.831 1.00 0.00 H new ATOM 0 HA3 GLY A 47 16.442 -1.125 -3.574 1.00 0.00 H new ATOM 647 N PHE A 48 13.616 -1.638 -2.058 1.00 0.00 N ATOM 648 CA PHE A 48 12.943 -1.612 -0.736 1.00 0.00 C ATOM 649 C PHE A 48 13.266 -2.906 -0.009 1.00 0.00 C ATOM 650 O PHE A 48 12.539 -3.875 -0.099 1.00 0.00 O ATOM 651 CB PHE A 48 11.428 -1.516 -0.937 1.00 0.00 C ATOM 652 CG PHE A 48 11.017 -0.075 -1.128 1.00 0.00 C ATOM 653 CD1 PHE A 48 11.253 0.862 -0.115 1.00 0.00 C ATOM 654 CD2 PHE A 48 10.388 0.324 -2.316 1.00 0.00 C ATOM 655 CE1 PHE A 48 10.862 2.190 -0.288 1.00 0.00 C ATOM 656 CE2 PHE A 48 10.000 1.654 -2.487 1.00 0.00 C ATOM 657 CZ PHE A 48 10.236 2.586 -1.472 1.00 0.00 C ATOM 0 H PHE A 48 12.987 -1.633 -2.861 1.00 0.00 H new ATOM 0 HA PHE A 48 13.287 -0.754 -0.158 1.00 0.00 H new ATOM 0 HB2 PHE A 48 11.131 -2.105 -1.805 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.912 -1.938 -0.074 1.00 0.00 H new ATOM 0 HD1 PHE A 48 11.738 0.557 0.801 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.204 -0.397 -3.098 1.00 0.00 H new ATOM 0 HE1 PHE A 48 11.044 2.912 0.494 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.518 1.963 -3.403 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.934 3.614 -1.604 1.00 0.00 H new ATOM 667 N ASP A 49 14.354 -2.947 0.699 1.00 0.00 N ATOM 668 CA ASP A 49 14.702 -4.200 1.403 1.00 0.00 C ATOM 669 C ASP A 49 13.523 -4.616 2.282 1.00 0.00 C ATOM 670 O ASP A 49 13.267 -5.786 2.487 1.00 0.00 O ATOM 671 CB ASP A 49 15.948 -3.983 2.265 1.00 0.00 C ATOM 672 CG ASP A 49 16.262 -5.265 3.037 1.00 0.00 C ATOM 673 OD1 ASP A 49 15.453 -5.650 3.864 1.00 0.00 O ATOM 674 OD2 ASP A 49 17.309 -5.843 2.787 1.00 0.00 O ATOM 0 H ASP A 49 15.010 -2.175 0.819 1.00 0.00 H new ATOM 0 HA ASP A 49 14.913 -4.985 0.677 1.00 0.00 H new ATOM 0 HB2 ASP A 49 16.795 -3.707 1.636 1.00 0.00 H new ATOM 0 HB3 ASP A 49 15.784 -3.159 2.959 1.00 0.00 H new ATOM 679 N PHE A 50 12.794 -3.661 2.794 1.00 0.00 N ATOM 680 CA PHE A 50 11.623 -3.992 3.652 1.00 0.00 C ATOM 681 C PHE A 50 12.010 -5.084 4.649 1.00 0.00 C ATOM 682 O PHE A 50 13.164 -5.435 4.786 1.00 0.00 O ATOM 683 CB PHE A 50 10.474 -4.488 2.769 1.00 0.00 C ATOM 684 CG PHE A 50 9.789 -3.316 2.095 1.00 0.00 C ATOM 685 CD1 PHE A 50 10.296 -2.014 2.234 1.00 0.00 C ATOM 686 CD2 PHE A 50 8.640 -3.537 1.328 1.00 0.00 C ATOM 687 CE1 PHE A 50 9.651 -0.941 1.608 1.00 0.00 C ATOM 688 CE2 PHE A 50 7.998 -2.463 0.701 1.00 0.00 C ATOM 689 CZ PHE A 50 8.502 -1.165 0.840 1.00 0.00 C ATOM 0 H PHE A 50 12.960 -2.664 2.654 1.00 0.00 H new ATOM 0 HA PHE A 50 11.307 -3.103 4.197 1.00 0.00 H new ATOM 0 HB2 PHE A 50 10.856 -5.178 2.016 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.754 -5.041 3.373 1.00 0.00 H new ATOM 0 HD1 PHE A 50 11.184 -1.840 2.824 1.00 0.00 H new ATOM 0 HD2 PHE A 50 8.248 -4.537 1.220 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.040 0.061 1.718 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.112 -2.636 0.109 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.005 -0.337 0.356 1.00 0.00 H new ATOM 699 N SER A 51 11.052 -5.623 5.352 1.00 0.00 N ATOM 700 CA SER A 51 11.364 -6.691 6.341 1.00 0.00 C ATOM 701 C SER A 51 10.152 -7.613 6.495 1.00 0.00 C ATOM 702 O SER A 51 9.901 -8.151 7.555 1.00 0.00 O ATOM 703 CB SER A 51 11.694 -6.053 7.692 1.00 0.00 C ATOM 704 OG SER A 51 13.095 -6.136 7.923 1.00 0.00 O ATOM 0 H SER A 51 10.066 -5.369 5.284 1.00 0.00 H new ATOM 0 HA SER A 51 12.219 -7.270 5.993 1.00 0.00 H new ATOM 0 HB2 SER A 51 11.373 -5.011 7.703 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.152 -6.562 8.489 1.00 0.00 H new ATOM 0 HG SER A 51 13.575 -5.977 7.083 1.00 0.00 H new ATOM 710 N VAL A 52 9.398 -7.799 5.446 1.00 0.00 N ATOM 711 CA VAL A 52 8.203 -8.684 5.537 1.00 0.00 C ATOM 712 C VAL A 52 8.410 -9.928 4.667 1.00 0.00 C ATOM 713 O VAL A 52 8.862 -10.954 5.136 1.00 0.00 O ATOM 714 CB VAL A 52 6.965 -7.922 5.059 1.00 0.00 C ATOM 715 CG1 VAL A 52 5.749 -8.851 5.091 1.00 0.00 C ATOM 716 CG2 VAL A 52 6.720 -6.726 5.982 1.00 0.00 C ATOM 0 H VAL A 52 9.558 -7.377 4.531 1.00 0.00 H new ATOM 0 HA VAL A 52 8.062 -8.992 6.573 1.00 0.00 H new ATOM 0 HB VAL A 52 7.123 -7.570 4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.867 -8.308 4.751 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.925 -9.704 4.436 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.587 -9.203 6.110 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.839 -6.181 5.645 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.560 -7.079 7.001 1.00 0.00 H new ATOM 0 HG23 VAL A 52 7.587 -6.065 5.959 1.00 0.00 H new ATOM 726 N SER A 53 8.079 -9.851 3.405 1.00 0.00 N ATOM 727 CA SER A 53 8.256 -11.036 2.516 1.00 0.00 C ATOM 728 C SER A 53 8.466 -10.573 1.072 1.00 0.00 C ATOM 729 O SER A 53 8.204 -9.437 0.728 1.00 0.00 O ATOM 730 CB SER A 53 7.009 -11.919 2.590 1.00 0.00 C ATOM 731 OG SER A 53 7.399 -13.267 2.830 1.00 0.00 O ATOM 0 H SER A 53 7.695 -9.021 2.953 1.00 0.00 H new ATOM 0 HA SER A 53 9.127 -11.604 2.843 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.351 -11.572 3.386 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.446 -11.852 1.659 1.00 0.00 H new ATOM 0 HG SER A 53 6.601 -13.834 2.880 1.00 0.00 H new ATOM 737 N SER A 54 8.933 -11.450 0.224 1.00 0.00 N ATOM 738 CA SER A 54 9.160 -11.072 -1.200 1.00 0.00 C ATOM 739 C SER A 54 7.844 -10.676 -1.861 1.00 0.00 C ATOM 740 O SER A 54 7.753 -9.633 -2.477 1.00 0.00 O ATOM 741 CB SER A 54 9.731 -12.260 -1.966 1.00 0.00 C ATOM 742 OG SER A 54 10.255 -13.213 -1.050 1.00 0.00 O ATOM 0 H SER A 54 9.168 -12.415 0.458 1.00 0.00 H new ATOM 0 HA SER A 54 9.855 -10.233 -1.221 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.954 -12.718 -2.578 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.515 -11.925 -2.645 1.00 0.00 H new ATOM 0 HG SER A 54 10.620 -13.976 -1.545 1.00 0.00 H new ATOM 748 N PRO A 55 6.867 -11.536 -1.740 1.00 0.00 N ATOM 749 CA PRO A 55 5.553 -11.313 -2.352 1.00 0.00 C ATOM 750 C PRO A 55 4.751 -10.286 -1.552 1.00 0.00 C ATOM 751 O PRO A 55 3.890 -10.625 -0.764 1.00 0.00 O ATOM 752 CB PRO A 55 4.900 -12.694 -2.313 1.00 0.00 C ATOM 753 CG PRO A 55 5.613 -13.486 -1.195 1.00 0.00 C ATOM 754 CD PRO A 55 6.974 -12.802 -0.977 1.00 0.00 C ATOM 0 HA PRO A 55 5.612 -10.911 -3.363 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.832 -12.612 -2.110 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.004 -13.199 -3.273 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.024 -13.479 -0.278 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.744 -14.529 -1.482 1.00 0.00 H new ATOM 0 HD2 PRO A 55 7.162 -12.616 0.080 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.794 -13.420 -1.343 1.00 0.00 H new ATOM 762 N TYR A 56 5.025 -9.029 -1.764 1.00 0.00 N ATOM 763 CA TYR A 56 4.278 -7.966 -1.033 1.00 0.00 C ATOM 764 C TYR A 56 2.916 -7.772 -1.694 1.00 0.00 C ATOM 765 O TYR A 56 2.475 -8.586 -2.479 1.00 0.00 O ATOM 766 CB TYR A 56 5.038 -6.640 -1.122 1.00 0.00 C ATOM 767 CG TYR A 56 6.404 -6.770 -0.497 1.00 0.00 C ATOM 768 CD1 TYR A 56 6.541 -6.732 0.894 1.00 0.00 C ATOM 769 CD2 TYR A 56 7.534 -6.908 -1.311 1.00 0.00 C ATOM 770 CE1 TYR A 56 7.810 -6.832 1.473 1.00 0.00 C ATOM 771 CE2 TYR A 56 8.803 -7.011 -0.731 1.00 0.00 C ATOM 772 CZ TYR A 56 8.942 -6.973 0.661 1.00 0.00 C ATOM 773 OH TYR A 56 10.194 -7.071 1.233 1.00 0.00 O ATOM 0 H TYR A 56 5.735 -8.691 -2.413 1.00 0.00 H new ATOM 0 HA TYR A 56 4.166 -8.264 0.010 1.00 0.00 H new ATOM 0 HB2 TYR A 56 5.136 -6.340 -2.165 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.474 -5.856 -0.617 1.00 0.00 H new ATOM 0 HD1 TYR A 56 5.668 -6.626 1.521 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.427 -6.935 -2.385 1.00 0.00 H new ATOM 0 HE1 TYR A 56 7.917 -6.800 2.547 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.676 -7.120 -1.358 1.00 0.00 H new ATOM 0 HH TYR A 56 10.869 -7.165 0.529 1.00 0.00 H new ATOM 783 N TYR A 57 2.256 -6.690 -1.392 1.00 0.00 N ATOM 784 CA TYR A 57 0.929 -6.417 -2.011 1.00 0.00 C ATOM 785 C TYR A 57 0.658 -4.908 -1.982 1.00 0.00 C ATOM 786 O TYR A 57 0.524 -4.313 -0.932 1.00 0.00 O ATOM 787 CB TYR A 57 -0.164 -7.158 -1.236 1.00 0.00 C ATOM 788 CG TYR A 57 -0.098 -8.631 -1.565 1.00 0.00 C ATOM 789 CD1 TYR A 57 -0.618 -9.103 -2.777 1.00 0.00 C ATOM 790 CD2 TYR A 57 0.485 -9.524 -0.659 1.00 0.00 C ATOM 791 CE1 TYR A 57 -0.553 -10.469 -3.082 1.00 0.00 C ATOM 792 CE2 TYR A 57 0.550 -10.889 -0.963 1.00 0.00 C ATOM 793 CZ TYR A 57 0.032 -11.362 -2.175 1.00 0.00 C ATOM 794 OH TYR A 57 0.098 -12.707 -2.475 1.00 0.00 O ATOM 0 H TYR A 57 2.581 -5.978 -0.738 1.00 0.00 H new ATOM 0 HA TYR A 57 0.929 -6.765 -3.044 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -0.032 -7.007 -0.165 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.144 -6.759 -1.496 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.069 -8.414 -3.476 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.885 -9.160 0.276 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -0.954 -10.833 -4.016 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.000 -11.577 -0.263 1.00 0.00 H new ATOM 0 HH TYR A 57 -0.152 -13.231 -1.686 1.00 0.00 H new ATOM 804 N GLU A 58 0.599 -4.281 -3.131 1.00 0.00 N ATOM 805 CA GLU A 58 0.356 -2.809 -3.178 1.00 0.00 C ATOM 806 C GLU A 58 -1.145 -2.510 -3.073 1.00 0.00 C ATOM 807 O GLU A 58 -1.970 -3.165 -3.684 1.00 0.00 O ATOM 808 CB GLU A 58 0.893 -2.249 -4.498 1.00 0.00 C ATOM 809 CG GLU A 58 0.024 -2.744 -5.655 1.00 0.00 C ATOM 810 CD GLU A 58 0.803 -2.621 -6.966 1.00 0.00 C ATOM 811 OE1 GLU A 58 1.170 -1.510 -7.313 1.00 0.00 O ATOM 812 OE2 GLU A 58 1.018 -3.641 -7.602 1.00 0.00 O ATOM 0 H GLU A 58 0.709 -4.729 -4.041 1.00 0.00 H new ATOM 0 HA GLU A 58 0.868 -2.340 -2.338 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.893 -1.159 -4.470 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.926 -2.564 -4.645 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.266 -3.781 -5.488 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.895 -2.160 -5.709 1.00 0.00 H new ATOM 819 N TRP A 59 -1.494 -1.516 -2.300 1.00 0.00 N ATOM 820 CA TRP A 59 -2.927 -1.135 -2.128 1.00 0.00 C ATOM 821 C TRP A 59 -2.971 0.302 -1.590 1.00 0.00 C ATOM 822 O TRP A 59 -2.151 0.673 -0.772 1.00 0.00 O ATOM 823 CB TRP A 59 -3.581 -2.111 -1.138 1.00 0.00 C ATOM 824 CG TRP A 59 -4.820 -1.525 -0.537 1.00 0.00 C ATOM 825 CD1 TRP A 59 -4.867 -0.854 0.635 1.00 0.00 C ATOM 826 CD2 TRP A 59 -6.190 -1.570 -1.035 1.00 0.00 C ATOM 827 NE1 TRP A 59 -6.173 -0.477 0.885 1.00 0.00 N ATOM 828 CE2 TRP A 59 -7.025 -0.893 -0.116 1.00 0.00 C ATOM 829 CE3 TRP A 59 -6.782 -2.120 -2.189 1.00 0.00 C ATOM 830 CZ2 TRP A 59 -8.398 -0.770 -0.327 1.00 0.00 C ATOM 831 CZ3 TRP A 59 -8.166 -1.995 -2.406 1.00 0.00 C ATOM 832 CH2 TRP A 59 -8.971 -1.321 -1.477 1.00 0.00 C ATOM 0 H TRP A 59 -0.836 -0.943 -1.772 1.00 0.00 H new ATOM 0 HA TRP A 59 -3.470 -1.184 -3.072 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -3.827 -3.041 -1.650 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -2.873 -2.360 -0.347 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.021 -0.646 1.273 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.470 0.045 1.709 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -6.170 -2.640 -2.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -9.014 -0.253 0.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -8.611 -2.421 -3.293 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -10.033 -1.227 -1.650 1.00 0.00 H new ATOM 843 N PRO A 60 -3.906 1.077 -2.073 1.00 0.00 N ATOM 844 CA PRO A 60 -4.048 2.487 -1.663 1.00 0.00 C ATOM 845 C PRO A 60 -4.533 2.603 -0.216 1.00 0.00 C ATOM 846 O PRO A 60 -5.498 1.984 0.187 1.00 0.00 O ATOM 847 CB PRO A 60 -5.070 3.052 -2.651 1.00 0.00 C ATOM 848 CG PRO A 60 -5.847 1.839 -3.207 1.00 0.00 C ATOM 849 CD PRO A 60 -4.916 0.628 -3.056 1.00 0.00 C ATOM 0 HA PRO A 60 -3.103 3.030 -1.686 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.743 3.752 -2.157 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.575 3.598 -3.454 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.776 1.687 -2.657 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.116 1.995 -4.252 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.456 -0.250 -2.701 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -4.456 0.357 -4.006 1.00 0.00 H new ATOM 857 N ILE A 61 -3.859 3.407 0.561 1.00 0.00 N ATOM 858 CA ILE A 61 -4.248 3.599 1.986 1.00 0.00 C ATOM 859 C ILE A 61 -4.777 5.027 2.155 1.00 0.00 C ATOM 860 O ILE A 61 -4.154 5.982 1.736 1.00 0.00 O ATOM 861 CB ILE A 61 -3.014 3.362 2.890 1.00 0.00 C ATOM 862 CG1 ILE A 61 -3.014 4.326 4.087 1.00 0.00 C ATOM 863 CG2 ILE A 61 -1.731 3.581 2.082 1.00 0.00 C ATOM 864 CD1 ILE A 61 -4.289 4.131 4.908 1.00 0.00 C ATOM 0 H ILE A 61 -3.045 3.945 0.264 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.025 2.890 2.272 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.059 2.337 3.259 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.138 4.147 4.710 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.950 5.356 3.736 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.865 3.413 2.722 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.704 2.883 1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.710 4.603 1.703 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.284 4.816 5.755 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.159 4.333 4.283 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.334 3.105 5.272 1.00 0.00 H new ATOM 876 N LEU A 62 -5.919 5.181 2.761 1.00 0.00 N ATOM 877 CA LEU A 62 -6.479 6.548 2.947 1.00 0.00 C ATOM 878 C LEU A 62 -6.668 6.826 4.438 1.00 0.00 C ATOM 879 O LEU A 62 -6.583 5.938 5.262 1.00 0.00 O ATOM 880 CB LEU A 62 -7.832 6.656 2.237 1.00 0.00 C ATOM 881 CG LEU A 62 -7.886 5.672 1.066 1.00 0.00 C ATOM 882 CD1 LEU A 62 -9.146 5.933 0.241 1.00 0.00 C ATOM 883 CD2 LEU A 62 -6.651 5.861 0.184 1.00 0.00 C ATOM 0 H LEU A 62 -6.488 4.422 3.135 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.788 7.277 2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.639 6.444 2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.983 7.673 1.876 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.906 4.652 1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.186 5.233 -0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.027 5.799 0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.125 6.953 -0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.689 5.160 -0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.630 6.881 -0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.752 5.676 0.772 1.00 0.00 H new ATOM 895 N SER A 63 -6.935 8.053 4.785 1.00 0.00 N ATOM 896 CA SER A 63 -7.142 8.400 6.215 1.00 0.00 C ATOM 897 C SER A 63 -8.537 9.003 6.365 1.00 0.00 C ATOM 898 O SER A 63 -8.795 9.795 7.250 1.00 0.00 O ATOM 899 CB SER A 63 -6.090 9.419 6.653 1.00 0.00 C ATOM 900 OG SER A 63 -6.474 9.988 7.897 1.00 0.00 O ATOM 0 H SER A 63 -7.019 8.834 4.135 1.00 0.00 H new ATOM 0 HA SER A 63 -7.049 7.509 6.836 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.117 8.937 6.746 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.988 10.200 5.899 1.00 0.00 H new ATOM 0 HG SER A 63 -7.331 10.453 7.794 1.00 0.00 H new ATOM 906 N SER A 64 -9.435 8.636 5.493 1.00 0.00 N ATOM 907 CA SER A 64 -10.815 9.186 5.559 1.00 0.00 C ATOM 908 C SER A 64 -11.762 8.273 4.775 1.00 0.00 C ATOM 909 O SER A 64 -12.746 7.788 5.297 1.00 0.00 O ATOM 910 CB SER A 64 -10.822 10.584 4.942 1.00 0.00 C ATOM 911 OG SER A 64 -10.749 11.555 5.979 1.00 0.00 O ATOM 0 H SER A 64 -9.270 7.975 4.734 1.00 0.00 H new ATOM 0 HA SER A 64 -11.145 9.241 6.596 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.978 10.698 4.261 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.728 10.730 4.354 1.00 0.00 H new ATOM 0 HG SER A 64 -10.112 11.258 6.661 1.00 0.00 H new ATOM 917 N GLY A 65 -11.469 8.032 3.525 1.00 0.00 N ATOM 918 CA GLY A 65 -12.349 7.148 2.708 1.00 0.00 C ATOM 919 C GLY A 65 -12.163 5.692 3.146 1.00 0.00 C ATOM 920 O GLY A 65 -12.837 4.800 2.671 1.00 0.00 O ATOM 0 H GLY A 65 -10.658 8.409 3.035 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.391 7.444 2.828 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.107 7.254 1.650 1.00 0.00 H new ATOM 924 N ASP A 66 -11.252 5.445 4.049 1.00 0.00 N ATOM 925 CA ASP A 66 -11.022 4.051 4.522 1.00 0.00 C ATOM 926 C ASP A 66 -10.598 3.167 3.342 1.00 0.00 C ATOM 927 O ASP A 66 -9.452 3.168 2.941 1.00 0.00 O ATOM 928 CB ASP A 66 -12.308 3.509 5.148 1.00 0.00 C ATOM 929 CG ASP A 66 -12.116 2.039 5.522 1.00 0.00 C ATOM 930 OD1 ASP A 66 -11.050 1.510 5.246 1.00 0.00 O ATOM 931 OD2 ASP A 66 -13.035 1.465 6.080 1.00 0.00 O ATOM 0 H ASP A 66 -10.656 6.152 4.480 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.229 4.045 5.270 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -12.566 4.089 6.034 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -13.137 3.611 4.447 1.00 0.00 H new ATOM 936 N VAL A 67 -11.505 2.407 2.785 1.00 0.00 N ATOM 937 CA VAL A 67 -11.132 1.528 1.639 1.00 0.00 C ATOM 938 C VAL A 67 -11.119 2.350 0.349 1.00 0.00 C ATOM 939 O VAL A 67 -11.821 3.333 0.221 1.00 0.00 O ATOM 940 CB VAL A 67 -12.149 0.391 1.517 1.00 0.00 C ATOM 941 CG1 VAL A 67 -11.677 -0.609 0.460 1.00 0.00 C ATOM 942 CG2 VAL A 67 -12.278 -0.321 2.865 1.00 0.00 C ATOM 0 H VAL A 67 -12.482 2.357 3.073 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.140 1.108 1.808 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.116 0.800 1.224 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.403 -1.418 0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.581 -0.104 -0.501 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.710 -1.018 0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -13.002 -1.131 2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.310 -0.728 3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.614 0.389 3.621 1.00 0.00 H new ATOM 952 N TYR A 68 -10.322 1.961 -0.608 1.00 0.00 N ATOM 953 CA TYR A 68 -10.262 2.725 -1.883 1.00 0.00 C ATOM 954 C TYR A 68 -11.408 2.295 -2.800 1.00 0.00 C ATOM 955 O TYR A 68 -11.562 1.132 -3.117 1.00 0.00 O ATOM 956 CB TYR A 68 -8.921 2.468 -2.576 1.00 0.00 C ATOM 957 CG TYR A 68 -8.755 3.440 -3.720 1.00 0.00 C ATOM 958 CD1 TYR A 68 -8.754 4.818 -3.472 1.00 0.00 C ATOM 959 CD2 TYR A 68 -8.607 2.964 -5.028 1.00 0.00 C ATOM 960 CE1 TYR A 68 -8.604 5.719 -4.531 1.00 0.00 C ATOM 961 CE2 TYR A 68 -8.455 3.866 -6.087 1.00 0.00 C ATOM 962 CZ TYR A 68 -8.454 5.244 -5.839 1.00 0.00 C ATOM 963 OH TYR A 68 -8.306 6.134 -6.883 1.00 0.00 O ATOM 0 H TYR A 68 -9.710 1.146 -0.561 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.357 3.789 -1.667 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.103 2.583 -1.865 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -8.880 1.443 -2.946 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.869 5.185 -2.463 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.610 1.901 -5.220 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.604 6.782 -4.339 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -8.338 3.499 -7.096 1.00 0.00 H new ATOM 0 HH TYR A 68 -8.213 5.639 -7.724 1.00 0.00 H new ATOM 973 N SER A 69 -12.210 3.230 -3.230 1.00 0.00 N ATOM 974 CA SER A 69 -13.347 2.889 -4.131 1.00 0.00 C ATOM 975 C SER A 69 -13.187 3.644 -5.455 1.00 0.00 C ATOM 976 O SER A 69 -13.966 3.480 -6.372 1.00 0.00 O ATOM 977 CB SER A 69 -14.665 3.296 -3.467 1.00 0.00 C ATOM 978 OG SER A 69 -14.699 4.710 -3.318 1.00 0.00 O ATOM 0 H SER A 69 -12.126 4.219 -2.995 1.00 0.00 H new ATOM 0 HA SER A 69 -13.354 1.816 -4.321 1.00 0.00 H new ATOM 0 HB2 SER A 69 -15.508 2.962 -4.071 1.00 0.00 H new ATOM 0 HB3 SER A 69 -14.759 2.814 -2.494 1.00 0.00 H new ATOM 0 HG SER A 69 -15.542 4.974 -2.895 1.00 0.00 H new ATOM 984 N GLY A 70 -12.180 4.471 -5.561 1.00 0.00 N ATOM 985 CA GLY A 70 -11.970 5.235 -6.823 1.00 0.00 C ATOM 986 C GLY A 70 -11.892 6.730 -6.506 1.00 0.00 C ATOM 987 O GLY A 70 -12.730 7.271 -5.811 1.00 0.00 O ATOM 0 H GLY A 70 -11.494 4.649 -4.827 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.052 4.907 -7.311 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -12.787 5.042 -7.518 1.00 0.00 H new ATOM 991 N GLY A 71 -10.893 7.406 -7.008 1.00 0.00 N ATOM 992 CA GLY A 71 -10.770 8.866 -6.729 1.00 0.00 C ATOM 993 C GLY A 71 -9.304 9.295 -6.840 1.00 0.00 C ATOM 994 O GLY A 71 -8.584 9.333 -5.862 1.00 0.00 O ATOM 0 H GLY A 71 -10.159 7.012 -7.597 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -11.378 9.433 -7.434 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -11.149 9.088 -5.731 1.00 0.00 H new ATOM 998 N SER A 72 -8.857 9.625 -8.022 1.00 0.00 N ATOM 999 CA SER A 72 -7.438 10.057 -8.191 1.00 0.00 C ATOM 1000 C SER A 72 -6.501 9.020 -7.558 1.00 0.00 C ATOM 1001 O SER A 72 -6.217 9.085 -6.379 1.00 0.00 O ATOM 1002 CB SER A 72 -7.237 11.412 -7.509 1.00 0.00 C ATOM 1003 OG SER A 72 -5.845 11.690 -7.417 1.00 0.00 O ATOM 0 H SER A 72 -9.412 9.614 -8.878 1.00 0.00 H new ATOM 0 HA SER A 72 -7.210 10.144 -9.253 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.739 12.196 -8.076 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.684 11.402 -6.515 1.00 0.00 H new ATOM 0 HG SER A 72 -5.713 12.558 -6.982 1.00 0.00 H new ATOM 1009 N PRO A 73 -6.051 8.093 -8.365 1.00 0.00 N ATOM 1010 CA PRO A 73 -5.140 7.021 -7.919 1.00 0.00 C ATOM 1011 C PRO A 73 -3.701 7.541 -7.804 1.00 0.00 C ATOM 1012 O PRO A 73 -3.449 8.728 -7.877 1.00 0.00 O ATOM 1013 CB PRO A 73 -5.248 5.976 -9.033 1.00 0.00 C ATOM 1014 CG PRO A 73 -5.743 6.728 -10.292 1.00 0.00 C ATOM 1015 CD PRO A 73 -6.410 8.025 -9.797 1.00 0.00 C ATOM 0 HA PRO A 73 -5.397 6.627 -6.936 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.283 5.504 -9.217 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.943 5.183 -8.756 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -4.912 6.951 -10.962 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.451 6.119 -10.854 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.043 8.895 -10.342 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.491 7.995 -9.936 1.00 0.00 H new ATOM 1023 N GLY A 74 -2.757 6.654 -7.626 1.00 0.00 N ATOM 1024 CA GLY A 74 -1.332 7.083 -7.509 1.00 0.00 C ATOM 1025 C GLY A 74 -1.075 7.645 -6.110 1.00 0.00 C ATOM 1026 O GLY A 74 -1.907 7.547 -5.230 1.00 0.00 O ATOM 0 H GLY A 74 -2.912 5.648 -7.556 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.671 6.237 -7.699 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.107 7.838 -8.262 1.00 0.00 H new ATOM 1030 N ALA A 75 0.065 8.246 -5.898 1.00 0.00 N ATOM 1031 CA ALA A 75 0.360 8.825 -4.558 1.00 0.00 C ATOM 1032 C ALA A 75 0.615 7.715 -3.530 1.00 0.00 C ATOM 1033 O ALA A 75 0.901 6.585 -3.872 1.00 0.00 O ATOM 1034 CB ALA A 75 -0.827 9.670 -4.108 1.00 0.00 C ATOM 0 H ALA A 75 0.802 8.360 -6.594 1.00 0.00 H new ATOM 0 HA ALA A 75 1.256 9.442 -4.630 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.618 10.097 -3.127 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.995 10.473 -4.826 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.718 9.044 -4.049 1.00 0.00 H new ATOM 1040 N ASP A 76 0.530 8.052 -2.268 1.00 0.00 N ATOM 1041 CA ASP A 76 0.782 7.057 -1.181 1.00 0.00 C ATOM 1042 C ASP A 76 0.256 5.673 -1.568 1.00 0.00 C ATOM 1043 O ASP A 76 -0.655 5.538 -2.360 1.00 0.00 O ATOM 1044 CB ASP A 76 0.081 7.520 0.098 1.00 0.00 C ATOM 1045 CG ASP A 76 0.804 8.745 0.662 1.00 0.00 C ATOM 1046 OD1 ASP A 76 1.817 8.561 1.316 1.00 0.00 O ATOM 1047 OD2 ASP A 76 0.332 9.846 0.432 1.00 0.00 O ATOM 0 H ASP A 76 0.293 8.988 -1.940 1.00 0.00 H new ATOM 0 HA ASP A 76 1.858 6.986 -1.021 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.960 7.764 -0.113 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.077 6.716 0.834 1.00 0.00 H new ATOM 1052 N ARG A 77 0.829 4.641 -1.003 1.00 0.00 N ATOM 1053 CA ARG A 77 0.376 3.259 -1.318 1.00 0.00 C ATOM 1054 C ARG A 77 1.183 2.267 -0.480 1.00 0.00 C ATOM 1055 O ARG A 77 2.011 1.549 -0.987 1.00 0.00 O ATOM 1056 CB ARG A 77 0.601 2.976 -2.805 1.00 0.00 C ATOM 1057 CG ARG A 77 0.280 1.510 -3.105 1.00 0.00 C ATOM 1058 CD ARG A 77 -0.464 1.409 -4.439 1.00 0.00 C ATOM 1059 NE ARG A 77 -1.674 2.276 -4.397 1.00 0.00 N ATOM 1060 CZ ARG A 77 -1.726 3.369 -5.110 1.00 0.00 C ATOM 1061 NH1 ARG A 77 -0.625 3.959 -5.491 1.00 0.00 N ATOM 1062 NH2 ARG A 77 -2.884 3.875 -5.442 1.00 0.00 N ATOM 0 H ARG A 77 1.596 4.700 -0.333 1.00 0.00 H new ATOM 0 HA ARG A 77 -0.685 3.156 -1.089 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.031 3.628 -3.409 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.634 3.195 -3.075 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.200 0.927 -3.145 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.329 1.090 -2.305 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.189 1.716 -5.256 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.750 0.375 -4.631 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.466 2.015 -3.809 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.280 3.566 -5.232 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.670 4.812 -6.048 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.745 3.416 -5.144 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.927 4.729 -5.999 1.00 0.00 H new ATOM 1076 N VAL A 78 0.960 2.226 0.801 1.00 0.00 N ATOM 1077 CA VAL A 78 1.735 1.282 1.656 1.00 0.00 C ATOM 1078 C VAL A 78 1.615 -0.143 1.096 1.00 0.00 C ATOM 1079 O VAL A 78 0.783 -0.423 0.256 1.00 0.00 O ATOM 1080 CB VAL A 78 1.204 1.344 3.096 1.00 0.00 C ATOM 1081 CG1 VAL A 78 0.004 0.415 3.253 1.00 0.00 C ATOM 1082 CG2 VAL A 78 2.309 0.916 4.066 1.00 0.00 C ATOM 0 H VAL A 78 0.278 2.802 1.294 1.00 0.00 H new ATOM 0 HA VAL A 78 2.787 1.566 1.657 1.00 0.00 H new ATOM 0 HB VAL A 78 0.895 2.366 3.317 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.365 0.467 4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.786 0.722 2.567 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.304 -0.608 3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.933 0.960 5.088 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.619 -0.103 3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.162 1.587 3.964 1.00 0.00 H new ATOM 1092 N VAL A 79 2.445 -1.043 1.556 1.00 0.00 N ATOM 1093 CA VAL A 79 2.386 -2.449 1.053 1.00 0.00 C ATOM 1094 C VAL A 79 2.271 -3.404 2.215 1.00 0.00 C ATOM 1095 O VAL A 79 2.268 -3.018 3.366 1.00 0.00 O ATOM 1096 CB VAL A 79 3.651 -2.793 0.247 1.00 0.00 C ATOM 1097 CG1 VAL A 79 3.256 -3.425 -1.085 1.00 0.00 C ATOM 1098 CG2 VAL A 79 4.477 -1.536 -0.027 1.00 0.00 C ATOM 0 H VAL A 79 3.162 -0.865 2.259 1.00 0.00 H new ATOM 0 HA VAL A 79 1.514 -2.542 0.406 1.00 0.00 H new ATOM 0 HB VAL A 79 4.249 -3.492 0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.154 -3.667 -1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.686 -4.336 -0.901 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.645 -2.724 -1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.366 -1.802 -0.598 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.879 -0.825 -0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.775 -1.083 0.919 1.00 0.00 H new ATOM 1108 N PHE A 80 2.148 -4.655 1.909 1.00 0.00 N ATOM 1109 CA PHE A 80 2.002 -5.659 2.975 1.00 0.00 C ATOM 1110 C PHE A 80 2.262 -7.047 2.394 1.00 0.00 C ATOM 1111 O PHE A 80 2.695 -7.179 1.266 1.00 0.00 O ATOM 1112 CB PHE A 80 0.584 -5.563 3.524 1.00 0.00 C ATOM 1113 CG PHE A 80 -0.419 -5.617 2.397 1.00 0.00 C ATOM 1114 CD1 PHE A 80 -0.600 -4.509 1.564 1.00 0.00 C ATOM 1115 CD2 PHE A 80 -1.176 -6.777 2.196 1.00 0.00 C ATOM 1116 CE1 PHE A 80 -1.538 -4.563 0.525 1.00 0.00 C ATOM 1117 CE2 PHE A 80 -2.114 -6.830 1.158 1.00 0.00 C ATOM 1118 CZ PHE A 80 -2.296 -5.723 0.322 1.00 0.00 C ATOM 0 H PHE A 80 2.143 -5.025 0.959 1.00 0.00 H new ATOM 0 HA PHE A 80 2.716 -5.482 3.779 1.00 0.00 H new ATOM 0 HB2 PHE A 80 0.401 -6.380 4.222 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.465 -4.634 4.082 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -0.018 -3.613 1.721 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.037 -7.631 2.842 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.677 -3.708 -0.121 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -2.697 -7.726 1.003 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.020 -5.763 -0.479 1.00 0.00 H new ATOM 1128 N ASN A 81 2.019 -8.082 3.145 1.00 0.00 N ATOM 1129 CA ASN A 81 2.275 -9.446 2.609 1.00 0.00 C ATOM 1130 C ASN A 81 1.046 -10.329 2.815 1.00 0.00 C ATOM 1131 O ASN A 81 0.269 -10.552 1.909 1.00 0.00 O ATOM 1132 CB ASN A 81 3.470 -10.065 3.335 1.00 0.00 C ATOM 1133 CG ASN A 81 3.615 -11.532 2.919 1.00 0.00 C ATOM 1134 OD1 ASN A 81 3.746 -12.449 3.839 1.00 0.00 O flip ATOM 1135 ND2 ASN A 81 3.607 -11.846 1.746 1.00 0.00 N flip ATOM 0 H ASN A 81 1.658 -8.045 4.098 1.00 0.00 H new ATOM 0 HA ASN A 81 2.490 -9.373 1.543 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.380 -9.516 3.094 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.331 -9.994 4.414 1.00 0.00 H new ATOM 0 HD21 ASN A 81 3.505 -11.130 1.027 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.703 -12.826 1.480 1.00 0.00 H new ATOM 1142 N GLU A 82 0.874 -10.845 3.998 1.00 0.00 N ATOM 1143 CA GLU A 82 -0.300 -11.731 4.259 1.00 0.00 C ATOM 1144 C GLU A 82 -0.746 -11.603 5.718 1.00 0.00 C ATOM 1145 O GLU A 82 -1.547 -12.381 6.196 1.00 0.00 O ATOM 1146 CB GLU A 82 0.092 -13.187 3.987 1.00 0.00 C ATOM 1147 CG GLU A 82 0.408 -13.373 2.500 1.00 0.00 C ATOM 1148 CD GLU A 82 -0.894 -13.401 1.698 1.00 0.00 C ATOM 1149 OE1 GLU A 82 -1.946 -13.428 2.315 1.00 0.00 O ATOM 1150 OE2 GLU A 82 -0.818 -13.397 0.481 1.00 0.00 O ATOM 0 H GLU A 82 1.492 -10.694 4.796 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.118 -11.433 3.604 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.960 -13.458 4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.720 -13.852 4.281 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.046 -12.562 2.149 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.960 -14.300 2.349 1.00 0.00 H new ATOM 1157 N ASN A 83 -0.238 -10.639 6.432 1.00 0.00 N ATOM 1158 CA ASN A 83 -0.646 -10.485 7.856 1.00 0.00 C ATOM 1159 C ASN A 83 -0.626 -9.005 8.237 1.00 0.00 C ATOM 1160 O ASN A 83 -0.645 -8.657 9.400 1.00 0.00 O ATOM 1161 CB ASN A 83 0.327 -11.252 8.754 1.00 0.00 C ATOM 1162 CG ASN A 83 -0.386 -11.663 10.044 1.00 0.00 C ATOM 1163 OD1 ASN A 83 0.113 -11.434 11.128 1.00 0.00 O ATOM 1164 ND2 ASN A 83 -1.544 -12.261 9.972 1.00 0.00 N ATOM 0 H ASN A 83 0.438 -9.954 6.094 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.653 -10.882 7.987 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.699 -12.135 8.234 1.00 0.00 H new ATOM 0 HB3 ASN A 83 1.192 -10.630 8.986 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.030 -12.536 10.826 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.963 -12.453 9.062 1.00 0.00 H new ATOM 1171 N ASN A 84 -0.587 -8.132 7.269 1.00 0.00 N ATOM 1172 CA ASN A 84 -0.563 -6.675 7.578 1.00 0.00 C ATOM 1173 C ASN A 84 0.775 -6.317 8.239 1.00 0.00 C ATOM 1174 O ASN A 84 0.942 -5.240 8.774 1.00 0.00 O ATOM 1175 CB ASN A 84 -1.755 -6.328 8.498 1.00 0.00 C ATOM 1176 CG ASN A 84 -1.286 -5.940 9.911 1.00 0.00 C ATOM 1177 OD1 ASN A 84 -1.736 -4.843 10.456 1.00 0.00 O flip ATOM 1178 ND2 ASN A 84 -0.505 -6.643 10.521 1.00 0.00 N flip ATOM 0 H ASN A 84 -0.571 -8.365 6.276 1.00 0.00 H new ATOM 0 HA ASN A 84 -0.657 -6.093 6.662 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -2.323 -5.505 8.064 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -2.429 -7.183 8.560 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -0.152 -7.501 10.097 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -0.202 -6.375 11.458 1.00 0.00 H new ATOM 1185 N GLN A 85 1.727 -7.209 8.198 1.00 0.00 N ATOM 1186 CA GLN A 85 3.052 -6.905 8.821 1.00 0.00 C ATOM 1187 C GLN A 85 3.466 -5.504 8.390 1.00 0.00 C ATOM 1188 O GLN A 85 4.123 -4.784 9.115 1.00 0.00 O ATOM 1189 CB GLN A 85 4.111 -7.906 8.346 1.00 0.00 C ATOM 1190 CG GLN A 85 3.470 -9.273 8.129 1.00 0.00 C ATOM 1191 CD GLN A 85 4.426 -10.369 8.605 1.00 0.00 C ATOM 1192 OE1 GLN A 85 4.644 -10.527 9.791 1.00 0.00 O ATOM 1193 NE2 GLN A 85 5.010 -11.139 7.728 1.00 0.00 N ATOM 0 H GLN A 85 1.649 -8.129 7.764 1.00 0.00 H new ATOM 0 HA GLN A 85 2.970 -6.973 9.906 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.565 -7.556 7.419 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.910 -7.982 9.084 1.00 0.00 H new ATOM 0 HG2 GLN A 85 2.529 -9.335 8.675 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.237 -9.413 7.074 1.00 0.00 H new ATOM 0 HE21 GLN A 85 4.828 -11.008 6.733 1.00 0.00 H new ATOM 0 HE22 GLN A 85 5.648 -11.872 8.038 1.00 0.00 H new ATOM 1202 N LEU A 86 3.070 -5.126 7.205 1.00 0.00 N ATOM 1203 CA LEU A 86 3.407 -3.769 6.677 1.00 0.00 C ATOM 1204 C LEU A 86 4.790 -3.791 6.027 1.00 0.00 C ATOM 1205 O LEU A 86 5.805 -3.799 6.695 1.00 0.00 O ATOM 1206 CB LEU A 86 3.390 -2.744 7.814 1.00 0.00 C ATOM 1207 CG LEU A 86 2.971 -1.382 7.263 1.00 0.00 C ATOM 1208 CD1 LEU A 86 3.802 -1.060 6.020 1.00 0.00 C ATOM 1209 CD2 LEU A 86 1.487 -1.419 6.887 1.00 0.00 C ATOM 0 H LEU A 86 2.520 -5.706 6.571 1.00 0.00 H new ATOM 0 HA LEU A 86 2.664 -3.488 5.931 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.698 -3.061 8.594 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.377 -2.676 8.272 1.00 0.00 H new ATOM 0 HG LEU A 86 3.136 -0.616 8.021 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.505 -0.089 5.625 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.859 -1.036 6.285 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.635 -1.826 5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.187 -0.448 6.494 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.323 -2.184 6.128 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.893 -1.652 7.771 1.00 0.00 H new ATOM 1221 N ALA A 87 4.835 -3.793 4.723 1.00 0.00 N ATOM 1222 CA ALA A 87 6.146 -3.804 4.019 1.00 0.00 C ATOM 1223 C ALA A 87 6.748 -2.400 4.059 1.00 0.00 C ATOM 1224 O ALA A 87 7.949 -2.231 4.129 1.00 0.00 O ATOM 1225 CB ALA A 87 5.942 -4.225 2.563 1.00 0.00 C ATOM 0 H ALA A 87 4.017 -3.787 4.114 1.00 0.00 H new ATOM 0 HA ALA A 87 6.818 -4.509 4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.903 -4.233 2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.505 -5.223 2.531 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.272 -3.520 2.071 1.00 0.00 H new ATOM 1231 N GLY A 88 5.923 -1.391 4.015 1.00 0.00 N ATOM 1232 CA GLY A 88 6.457 0.002 4.052 1.00 0.00 C ATOM 1233 C GLY A 88 5.529 0.930 3.272 1.00 0.00 C ATOM 1234 O GLY A 88 4.733 0.496 2.464 1.00 0.00 O ATOM 0 H GLY A 88 4.908 -1.468 3.955 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.543 0.341 5.084 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.459 0.029 3.623 1.00 0.00 H new ATOM 1238 N VAL A 89 5.620 2.209 3.511 1.00 0.00 N ATOM 1239 CA VAL A 89 4.738 3.166 2.788 1.00 0.00 C ATOM 1240 C VAL A 89 5.366 3.551 1.448 1.00 0.00 C ATOM 1241 O VAL A 89 6.307 4.316 1.392 1.00 0.00 O ATOM 1242 CB VAL A 89 4.548 4.422 3.638 1.00 0.00 C ATOM 1243 CG1 VAL A 89 3.375 5.233 3.090 1.00 0.00 C ATOM 1244 CG2 VAL A 89 4.257 4.018 5.084 1.00 0.00 C ATOM 0 H VAL A 89 6.267 2.632 4.176 1.00 0.00 H new ATOM 0 HA VAL A 89 3.773 2.693 2.606 1.00 0.00 H new ATOM 0 HB VAL A 89 5.455 5.026 3.605 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.238 6.129 3.695 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.581 5.519 2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.468 4.630 3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.121 4.913 5.691 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.349 3.415 5.118 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.093 3.437 5.475 1.00 0.00 H new ATOM 1254 N ILE A 90 4.841 3.041 0.365 1.00 0.00 N ATOM 1255 CA ILE A 90 5.400 3.400 -0.968 1.00 0.00 C ATOM 1256 C ILE A 90 4.396 4.308 -1.670 1.00 0.00 C ATOM 1257 O ILE A 90 3.202 4.102 -1.589 1.00 0.00 O ATOM 1258 CB ILE A 90 5.629 2.135 -1.790 1.00 0.00 C ATOM 1259 CG1 ILE A 90 4.340 1.325 -1.844 1.00 0.00 C ATOM 1260 CG2 ILE A 90 6.721 1.303 -1.126 1.00 0.00 C ATOM 1261 CD1 ILE A 90 4.574 0.017 -2.601 1.00 0.00 C ATOM 0 H ILE A 90 4.053 2.394 0.347 1.00 0.00 H new ATOM 0 HA ILE A 90 6.355 3.913 -0.856 1.00 0.00 H new ATOM 0 HB ILE A 90 5.931 2.403 -2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.992 1.112 -0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 90 3.558 1.904 -2.335 1.00 0.00 H new ATOM 0 HG21 ILE A 90 6.892 0.396 -1.707 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.643 1.883 -1.080 1.00 0.00 H new ATOM 0 HG23 ILE A 90 6.410 1.034 -0.116 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.647 -0.555 -2.634 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.901 0.238 -3.617 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.342 -0.566 -2.092 1.00 0.00 H new ATOM 1273 N THR A 91 4.858 5.330 -2.329 1.00 0.00 N ATOM 1274 CA THR A 91 3.898 6.256 -2.991 1.00 0.00 C ATOM 1275 C THR A 91 4.153 6.323 -4.498 1.00 0.00 C ATOM 1276 O THR A 91 5.096 5.759 -5.008 1.00 0.00 O ATOM 1277 CB THR A 91 4.059 7.650 -2.378 1.00 0.00 C ATOM 1278 OG1 THR A 91 2.904 8.428 -2.657 1.00 0.00 O ATOM 1279 CG2 THR A 91 5.298 8.337 -2.963 1.00 0.00 C ATOM 0 H THR A 91 5.845 5.564 -2.438 1.00 0.00 H new ATOM 0 HA THR A 91 2.884 5.888 -2.836 1.00 0.00 H new ATOM 0 HB THR A 91 4.180 7.556 -1.299 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.007 9.319 -2.263 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.406 9.328 -2.523 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.183 7.742 -2.740 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.186 8.430 -4.043 1.00 0.00 H new ATOM 1287 N HIS A 92 3.314 7.025 -5.209 1.00 0.00 N ATOM 1288 CA HIS A 92 3.494 7.154 -6.675 1.00 0.00 C ATOM 1289 C HIS A 92 3.781 8.618 -6.995 1.00 0.00 C ATOM 1290 O HIS A 92 2.967 9.299 -7.586 1.00 0.00 O ATOM 1291 CB HIS A 92 2.211 6.720 -7.387 1.00 0.00 C ATOM 1292 CG HIS A 92 2.521 5.616 -8.353 1.00 0.00 C ATOM 1293 ND1 HIS A 92 2.085 5.371 -9.629 1.00 0.00 N flip ATOM 1294 CD2 HIS A 92 3.393 4.587 -8.043 1.00 0.00 C flip ATOM 1295 CE1 HIS A 92 2.678 4.207 -10.111 1.00 0.00 C flip ATOM 1296 NE2 HIS A 92 3.456 3.775 -9.115 1.00 0.00 N flip ATOM 0 H HIS A 92 2.505 7.518 -4.830 1.00 0.00 H new ATOM 0 HA HIS A 92 4.319 6.525 -7.010 1.00 0.00 H new ATOM 0 HB2 HIS A 92 1.475 6.383 -6.658 1.00 0.00 H new ATOM 0 HB3 HIS A 92 1.772 7.566 -7.915 1.00 0.00 H new ATOM 0 HD2 HIS A 92 3.925 4.459 -7.112 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.539 3.752 -11.081 1.00 0.00 H new ATOM 0 HE2 HIS A 92 4.028 2.932 -9.161 1.00 0.00 H new ATOM 1305 N THR A 93 4.931 9.101 -6.591 1.00 0.00 N ATOM 1306 CA THR A 93 5.300 10.525 -6.846 1.00 0.00 C ATOM 1307 C THR A 93 6.602 10.844 -6.102 1.00 0.00 C ATOM 1308 O THR A 93 6.959 10.177 -5.152 1.00 0.00 O ATOM 1309 CB THR A 93 4.194 11.451 -6.328 1.00 0.00 C ATOM 1310 OG1 THR A 93 4.440 12.775 -6.783 1.00 0.00 O ATOM 1311 CG2 THR A 93 4.185 11.431 -4.798 1.00 0.00 C ATOM 0 H THR A 93 5.636 8.561 -6.090 1.00 0.00 H new ATOM 0 HA THR A 93 5.429 10.678 -7.918 1.00 0.00 H new ATOM 0 HB THR A 93 3.228 11.109 -6.700 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.734 13.370 -6.455 1.00 0.00 H new ATOM 0 HG21 THR A 93 3.398 12.090 -4.430 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.001 10.415 -4.448 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.150 11.774 -4.424 1.00 0.00 H new ATOM 1319 N GLY A 94 7.307 11.864 -6.512 1.00 0.00 N ATOM 1320 CA GLY A 94 8.574 12.221 -5.807 1.00 0.00 C ATOM 1321 C GLY A 94 9.781 11.658 -6.561 1.00 0.00 C ATOM 1322 O GLY A 94 10.892 12.124 -6.406 1.00 0.00 O ATOM 0 H GLY A 94 7.063 12.463 -7.300 1.00 0.00 H new ATOM 0 HA2 GLY A 94 8.660 13.305 -5.727 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.556 11.827 -4.791 1.00 0.00 H new ATOM 1326 N ALA A 95 9.578 10.658 -7.374 1.00 0.00 N ATOM 1327 CA ALA A 95 10.724 10.071 -8.129 1.00 0.00 C ATOM 1328 C ALA A 95 10.405 10.078 -9.623 1.00 0.00 C ATOM 1329 O ALA A 95 9.419 10.642 -10.053 1.00 0.00 O ATOM 1330 CB ALA A 95 10.957 8.632 -7.666 1.00 0.00 C ATOM 0 H ALA A 95 8.672 10.222 -7.549 1.00 0.00 H new ATOM 0 HA ALA A 95 11.621 10.662 -7.945 1.00 0.00 H new ATOM 0 HB1 ALA A 95 11.794 8.203 -8.217 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.183 8.625 -6.600 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.060 8.041 -7.850 1.00 0.00 H new ATOM 1336 N SER A 96 11.233 9.451 -10.420 1.00 0.00 N ATOM 1337 CA SER A 96 10.977 9.416 -11.886 1.00 0.00 C ATOM 1338 C SER A 96 9.486 9.170 -12.123 1.00 0.00 C ATOM 1339 O SER A 96 8.970 8.108 -11.836 1.00 0.00 O ATOM 1340 CB SER A 96 11.792 8.288 -12.521 1.00 0.00 C ATOM 1341 OG SER A 96 13.156 8.684 -12.604 1.00 0.00 O ATOM 0 H SER A 96 12.075 8.962 -10.115 1.00 0.00 H new ATOM 0 HA SER A 96 11.270 10.365 -12.336 1.00 0.00 H new ATOM 0 HB2 SER A 96 11.701 7.379 -11.927 1.00 0.00 H new ATOM 0 HB3 SER A 96 11.406 8.060 -13.515 1.00 0.00 H new ATOM 0 HG SER A 96 13.682 7.963 -13.009 1.00 0.00 H new ATOM 1347 N GLY A 97 8.784 10.149 -12.624 1.00 0.00 N ATOM 1348 CA GLY A 97 7.323 9.968 -12.854 1.00 0.00 C ATOM 1349 C GLY A 97 6.641 9.750 -11.501 1.00 0.00 C ATOM 1350 O GLY A 97 6.491 10.668 -10.718 1.00 0.00 O ATOM 0 H GLY A 97 9.157 11.062 -12.883 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.907 10.844 -13.351 1.00 0.00 H new ATOM 0 HA3 GLY A 97 7.146 9.115 -13.509 1.00 0.00 H new ATOM 1354 N ASN A 98 6.247 8.542 -11.210 1.00 0.00 N ATOM 1355 CA ASN A 98 5.598 8.269 -9.895 1.00 0.00 C ATOM 1356 C ASN A 98 6.249 7.033 -9.272 1.00 0.00 C ATOM 1357 O ASN A 98 5.603 6.242 -8.616 1.00 0.00 O ATOM 1358 CB ASN A 98 4.090 8.018 -10.062 1.00 0.00 C ATOM 1359 CG ASN A 98 3.708 8.015 -11.546 1.00 0.00 C ATOM 1360 OD1 ASN A 98 3.392 6.981 -12.101 1.00 0.00 O ATOM 1361 ND2 ASN A 98 3.721 9.136 -12.214 1.00 0.00 N ATOM 0 H ASN A 98 6.345 7.733 -11.823 1.00 0.00 H new ATOM 0 HA ASN A 98 5.730 9.139 -9.252 1.00 0.00 H new ATOM 0 HB2 ASN A 98 3.822 7.063 -9.609 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.527 8.789 -9.537 1.00 0.00 H new ATOM 0 HD21 ASN A 98 3.466 9.144 -13.202 1.00 0.00 H new ATOM 0 HD22 ASN A 98 3.986 10.004 -11.749 1.00 0.00 H new ATOM 1368 N ASN A 99 7.527 6.863 -9.473 1.00 0.00 N ATOM 1369 CA ASN A 99 8.221 5.682 -8.890 1.00 0.00 C ATOM 1370 C ASN A 99 7.795 5.510 -7.434 1.00 0.00 C ATOM 1371 O ASN A 99 7.137 6.359 -6.866 1.00 0.00 O ATOM 1372 CB ASN A 99 9.733 5.898 -8.950 1.00 0.00 C ATOM 1373 CG ASN A 99 10.444 4.544 -8.936 1.00 0.00 C ATOM 1374 OD1 ASN A 99 11.174 4.237 -8.013 1.00 0.00 O ATOM 1375 ND2 ASN A 99 10.260 3.715 -9.927 1.00 0.00 N ATOM 0 H ASN A 99 8.120 7.491 -10.016 1.00 0.00 H new ATOM 0 HA ASN A 99 7.956 4.790 -9.457 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.996 6.449 -9.853 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.059 6.500 -8.102 1.00 0.00 H new ATOM 0 HD21 ASN A 99 10.729 2.809 -9.928 1.00 0.00 H new ATOM 0 HD22 ASN A 99 9.648 3.973 -10.701 1.00 0.00 H new ATOM 1382 N PHE A 100 8.166 4.420 -6.821 1.00 0.00 N ATOM 1383 CA PHE A 100 7.779 4.208 -5.402 1.00 0.00 C ATOM 1384 C PHE A 100 8.884 4.734 -4.487 1.00 0.00 C ATOM 1385 O PHE A 100 10.050 4.719 -4.827 1.00 0.00 O ATOM 1386 CB PHE A 100 7.558 2.719 -5.137 1.00 0.00 C ATOM 1387 CG PHE A 100 6.709 2.122 -6.236 1.00 0.00 C ATOM 1388 CD1 PHE A 100 7.295 1.746 -7.451 1.00 0.00 C ATOM 1389 CD2 PHE A 100 5.335 1.942 -6.036 1.00 0.00 C ATOM 1390 CE1 PHE A 100 6.505 1.189 -8.466 1.00 0.00 C ATOM 1391 CE2 PHE A 100 4.547 1.385 -7.049 1.00 0.00 C ATOM 1392 CZ PHE A 100 5.131 1.009 -8.265 1.00 0.00 C ATOM 0 H PHE A 100 8.718 3.672 -7.240 1.00 0.00 H new ATOM 0 HA PHE A 100 6.853 4.746 -5.200 1.00 0.00 H new ATOM 0 HB2 PHE A 100 8.517 2.204 -5.086 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.070 2.581 -4.172 1.00 0.00 H new ATOM 0 HD1 PHE A 100 8.355 1.885 -7.606 1.00 0.00 H new ATOM 0 HD2 PHE A 100 4.883 2.233 -5.099 1.00 0.00 H new ATOM 0 HE1 PHE A 100 6.956 0.899 -9.403 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.488 1.245 -6.893 1.00 0.00 H new ATOM 0 HZ PHE A 100 4.522 0.580 -9.047 1.00 0.00 H new ATOM 1402 N VAL A 101 8.520 5.199 -3.326 1.00 0.00 N ATOM 1403 CA VAL A 101 9.535 5.732 -2.374 1.00 0.00 C ATOM 1404 C VAL A 101 8.973 5.644 -0.955 1.00 0.00 C ATOM 1405 O VAL A 101 7.779 5.745 -0.746 1.00 0.00 O ATOM 1406 CB VAL A 101 9.854 7.191 -2.708 1.00 0.00 C ATOM 1407 CG1 VAL A 101 11.145 7.253 -3.525 1.00 0.00 C ATOM 1408 CG2 VAL A 101 8.709 7.793 -3.521 1.00 0.00 C ATOM 0 H VAL A 101 7.557 5.233 -2.992 1.00 0.00 H new ATOM 0 HA VAL A 101 10.451 5.146 -2.451 1.00 0.00 H new ATOM 0 HB VAL A 101 9.978 7.756 -1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 101 11.375 8.291 -3.764 1.00 0.00 H new ATOM 0 HG12 VAL A 101 11.963 6.825 -2.946 1.00 0.00 H new ATOM 0 HG13 VAL A 101 11.019 6.687 -4.448 1.00 0.00 H new ATOM 0 HG21 VAL A 101 8.938 8.832 -3.758 1.00 0.00 H new ATOM 0 HG22 VAL A 101 8.583 7.229 -4.445 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.788 7.748 -2.940 1.00 0.00 H new ATOM 1418 N GLU A 102 9.819 5.449 0.017 1.00 0.00 N ATOM 1419 CA GLU A 102 9.331 5.345 1.421 1.00 0.00 C ATOM 1420 C GLU A 102 9.128 6.745 2.006 1.00 0.00 C ATOM 1421 O GLU A 102 10.041 7.543 2.064 1.00 0.00 O ATOM 1422 CB GLU A 102 10.354 4.581 2.266 1.00 0.00 C ATOM 1423 CG GLU A 102 11.770 5.030 1.895 1.00 0.00 C ATOM 1424 CD GLU A 102 12.655 5.016 3.143 1.00 0.00 C ATOM 1425 OE1 GLU A 102 12.214 4.491 4.153 1.00 0.00 O ATOM 1426 OE2 GLU A 102 13.759 5.530 3.068 1.00 0.00 O ATOM 0 H GLU A 102 10.828 5.357 -0.100 1.00 0.00 H new ATOM 0 HA GLU A 102 8.381 4.811 1.430 1.00 0.00 H new ATOM 0 HB2 GLU A 102 10.171 4.761 3.325 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.247 3.509 2.101 1.00 0.00 H new ATOM 0 HG2 GLU A 102 12.185 4.368 1.135 1.00 0.00 H new ATOM 0 HG3 GLU A 102 11.744 6.032 1.466 1.00 0.00 H new ATOM 1433 N CYS A 103 7.935 7.045 2.445 1.00 0.00 N ATOM 1434 CA CYS A 103 7.667 8.385 3.031 1.00 0.00 C ATOM 1435 C CYS A 103 8.815 8.774 3.965 1.00 0.00 C ATOM 1436 O CYS A 103 9.109 8.086 4.923 1.00 0.00 O ATOM 1437 CB CYS A 103 6.364 8.326 3.828 1.00 0.00 C ATOM 1438 SG CYS A 103 4.982 7.973 2.714 1.00 0.00 S ATOM 0 H CYS A 103 7.133 6.415 2.422 1.00 0.00 H new ATOM 0 HA CYS A 103 7.583 9.125 2.235 1.00 0.00 H new ATOM 0 HB2 CYS A 103 6.431 7.555 4.596 1.00 0.00 H new ATOM 0 HB3 CYS A 103 6.197 9.273 4.341 1.00 0.00 H new ATOM 1443 N THR A 104 9.467 9.873 3.698 1.00 0.00 N ATOM 1444 CA THR A 104 10.594 10.304 4.573 1.00 0.00 C ATOM 1445 C THR A 104 10.822 11.809 4.410 1.00 0.00 C ATOM 1446 O THR A 104 10.926 12.276 3.254 1.00 0.00 O ATOM 1447 CB THR A 104 11.866 9.551 4.176 1.00 0.00 C ATOM 1448 OG1 THR A 104 11.999 9.566 2.761 1.00 0.00 O ATOM 1449 CG2 THR A 104 11.782 8.106 4.669 1.00 0.00 C ATOM 1450 OXT THR A 104 10.894 12.509 5.443 1.00 0.00 O ATOM 0 H THR A 104 9.268 10.491 2.911 1.00 0.00 H new ATOM 0 HA THR A 104 10.350 10.084 5.612 1.00 0.00 H new ATOM 0 HB THR A 104 12.732 10.035 4.628 1.00 0.00 H new ATOM 0 HG1 THR A 104 11.406 8.891 2.370 1.00 0.00 H new ATOM 0 HG21 THR A 104 12.689 7.571 4.385 1.00 0.00 H new ATOM 0 HG22 THR A 104 11.680 8.097 5.754 1.00 0.00 H new ATOM 0 HG23 THR A 104 10.917 7.618 4.219 1.00 0.00 H new TER 1458 THR A 104